A0A077YYM1_TRITR Loading...

Alanine--glyoxylate aminotransferase

AlphaFold DB , UniProt , Accession A0A077YYM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 378 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M83.4Confident93.5Very high218 Ų218135.4 Ų135.4100%1.07473%0.731SS**  0140.50-70.1-161.3-77.600108.6
2P91.7Very high93.3Very high92 Ų92137.2 Ų137.260%0.59774%0.739SS**  trans-64.8152.3177.727-33.4000111.6R4P2-R4 PolarHBondContact O-N 2.71Å; P2-R4 VanDerWaalsContact O-N 3.16Å
3P94.6Very high93Very high86 Ų86142.7 Ų142.756%0.55874%0.743SS**  trans-62.4115.9179-18.431000110.8A5 L6P3-A5 PolarHBondContact O-N 2.78Å; P3-A5 VanDerWaalsContact O-N 3.13Å; P3-L6 HydrophobicContact CB-CD1 4.27Å; P3-L6 HydrophobicContact CB-CG 4.36Å; P3-L6 HydrophobicContact CG-CD1 4.21Å; P3-L6 PolarHBondContact O-N 2.91Å
4R95.5Very high92.9Very high203 Ų203144 Ų14477%0.76674%0.743SS**G310 helixtrans-56.5-32.6-176-73-175.2177179.1-0.9113.5P2 L6 L7P2-R4 PolarHBondContact O-N 2.71Å; P2-R4 VanDerWaalsContact O-N 3.16Å; R4-L6 PolarHBondContact O-N 3.08Å; R4-L7 WeakPolarHBondContact O-CB 3.45Å; R4-L7 PolarHBondContact O-N 3.44Å; R4-L7 VanDerWaalsContact O-N 3.15Å
5A94.5Very high93.1Very high90 Ų90138.6 Ų138.674%0.74471%0.71SS**G310 helixtrans-61.9-26.8179.100000113.4P3 L7P3-A5 PolarHBondContact O-N 2.78Å; P3-A5 VanDerWaalsContact O-N 3.13Å; A5-L7 VanDerWaalsContact C-N 3.3Å
6L96.6Very high93.4Very high144 Ų144134.4 Ų134.475%0.75468%0.683SS**G310 helixtrans-88.32.9179.7-61.6178.7000113.3P3 R4P3-L6 HydrophobicContact CB-CD1 4.27Å; P3-L6 HydrophobicContact CB-CG 4.36Å; P3-L6 HydrophobicContact CG-CD1 4.21Å; P3-L6 PolarHBondContact O-N 2.91Å; R4-L6 PolarHBondContact O-N 3.08Å
7L95.3Very high93.7Very high112 Ų112128.5 Ų128.559%0.58665%0.653SS**G310 helixtrans-86.5-11.7176-59.8177.4000112.7R4 A5R4-L7 WeakPolarHBondContact O-CB 3.45Å; R4-L7 PolarHBondContact O-N 3.44Å; R4-L7 VanDerWaalsContact O-N 3.15Å; A5-L7 VanDerWaalsContact C-N 3.3Å
8Q94.9Very high94Very high148 Ų148121.3 Ų121.369%0.69262%0.617SS**SBendtrans-106.8144.1177.5-62.3-59.5-45.900109.9
9P95Very high94.2Very high103 Ų103115 Ų11567%0.66959%0.585SS**  trans-56.1147.9170.7-23.433.9000111.7E11P9-E11 PolarHBondContact O-N 3.5Å
10C94.3Very high94.3Very high113 Ų113109.9 Ų109.976%0.76456%0.559SS**  trans-74.5124.6169.4-175.30000109.1
11E92.7Very high94.3Very high180 Ų180105.6 Ų105.684%0.84154%0.543SS*.  trans-109.6123.6172.9-66.6-173.1173.400109.9P9P9-E11 PolarHBondContact O-N 3.5Å
12L90.7Very high94.9Very high157 Ų15798.3 Ų98.382%0.82251%0.512SS*.  trans-121.8136.2175.1-67.8174.1000109.2
13R90.3Very high95.2Very high209 Ų20994.2 Ų94.279%0.78949%0.485SS*.  trans-89137.9171.9-64.5-176.4-176.7-179.70.5109.2
14E91.7Very high95.4Very high161 Ų16191.3 Ų91.375%0.75247%0.465SS*.  trans-62.3137169.6-169.2172.9-165.700110.1N336E14-N336 PolarHBondContact O-ND2 2.94Å
15R95.5Very high95.5Very high63 Ų6383.8 Ų83.824%0.23844%0.44CS..  trans-127.8151.4-179.5-60.2-59.1-170.9152.55.7109.3L17 N24 F332 N336R15-L17 HydrophobicContact CB-CD2 3.97Å; R15-L17 PolarHBondContact O-N 3.32Å; R15-N24 PolarHBondContact O-ND2 3.07Å; R15-F332 HydrophobicContact CG-CE2 4.42Å; R15-F332 VanDerWaalsContact CZ-CZ 3.45Å; R15-F332 PolarHBondContact NH1-O 3.47Å; R15-N336 WeakPolarHBondContact CD-OD1 3.48Å; R15-N336 VanDerWaalsContact CZ-OD1 3.3Å; R15-N336 PolarHBondContact NE-OD1 3.1Å; R15-N336 PolarHBondContact NH1-OD1 2.9Å
16Y98Very high95.6Very high72 Ų7280.6 Ų80.628%0.28241%0.41SS..EExtended strand (participates in β ladder)trans-83.8109.5167.9-65.1-73.1000109.4F18 N336 I337 E338 R367Y16-F18 HydrophobicContact CD1-CE2 4.46Å; Y16-F18 HydrophobicContact CD1-CZ 4.02Å; Y16-F18 HydrophobicContact CG-CE2 4.18Å; Y16-F18 HydrophobicContact CG-CZ 4.18Å; Y16-F18 PolarHBondContact O-N 3.32Å; Y16-N336 PolarHBondContact N-O 3.34Å; Y16-I337 HydrophobicContact CD2-CG1 4.34Å; Y16-E338 PolarHBondContact O-N 2.85Å; Y16-R367 PolarHBondContact OH-NH1 2.98Å; Y16-R367 PolarHBondContact OH-NH2 2.9Å
17L98.1Very high95.6Very high33 Ų3377 Ų7717%0.17340%0.395CS..EExtended strand (participates in β ladder)trans-92.983.1-174.7-56.9180000110.4R15 P22 N24 E338 N359R15-L17 HydrophobicContact CB-CD2 3.97Å; R15-L17 PolarHBondContact O-N 3.32Å; L17-P22 WeakPolarHBondContact CB-O 3.09Å; L17-N24 WeakPolarHBondContact CB-OD1 3.48Å; L17-N24 PolarHBondContact N-OD1 2.77Å; L17-E338 HydrophobicContact CD2-CB 4.15Å; L17-N359 PolarHBondContact O-ND2 3.39Å
18F98.6Very high95.7Very high0 Ų072.8 Ų72.80%038%0.375CS..  trans-101.723.9176.5-53.5-44.3000112.2Y16 I337 E338 I339 I353 G354 N359 N364 I368Y16-F18 HydrophobicContact CD1-CE2 4.46Å; Y16-F18 HydrophobicContact CD1-CZ 4.02Å; Y16-F18 HydrophobicContact CG-CE2 4.18Å; Y16-F18 HydrophobicContact CG-CZ 4.18Å; Y16-F18 PolarHBondContact O-N 3.32Å; F18-I337 HydrophobicContact CD2-CG1 4.17Å; F18-I337 HydrophobicContact CD2-CG2 3.79Å; F18-I337 HydrophobicContact CE2-CD1 4.38Å; F18-I337 HydrophobicContact CE2-CG1 4.1Å; F18-E338 CarbonylContact C-O 3.28Å; F18-E338 WeakPolarHBondContact CA-O 3.17Å; F18-E338 WeakPolarHBondContact CB-O 3.22Å; F18-E338 PolarHBondContact N-O 2.85Å; F18-I339 HydrophobicContact CB-CG2 4.22Å; F18-I353 CarbonylContact O-C 3.48Å; F18-I353 VanDerWaalsContact O-CA 3.32Å; F18-I353 WeakPolarHBondContact O-CA 3.47Å; F18-G354 WeakPolarHBondContact CA-O 3.4Å; F18-G354 PolarHBondContact O-N 3.03Å; F18-N359 HydrophobicContact CD1-CB 4.25Å; F18-N359 HydrophobicContact CE1-CB 4.1Å; F18-N364 HydrophobicContact CE1-CB 3.81Å; F18-N364 HydrophobicContact CZ-CB 3.68Å; F18-I368 HydrophobicContact CB-CD1 4.17Å; F18-I368 HydrophobicContact CB-CG1 4.37Å; F18-I368 HydrophobicContact CD1-CD1 4.05Å; F18-I368 HydrophobicContact CD2-CD1 3.71Å; F18-I368 HydrophobicContact CD2-CG1 3.28Å; F18-I368 HydrophobicContact CE1-CD1 4.38Å; F18-I368 HydrophobicContact CE2-CD1 4.03Å; F18-I368 HydrophobicContact CE2-CG1 3.52Å; F18-I368 HydrophobicContact CG-CD1 3.72Å; F18-I368 HydrophobicContact CG-CG1 3.83Å; F18-I368 HydrophobicContact CZ-CD1 4.37Å; F18-I368 HydrophobicContact CZ-CG1 4.27Å
19G98Very high95.8Very high1 Ų165.8 Ų65.81%0.0134%0.342CS..SBendtrans-75.3-178.1165.900000111.7G21 E338 G354G19-G21 PolarHBondContact O-N 2.89Å; G19-E338 PolarHBondContact N-O 3.2Å; G19-G354 VanDerWaalsContact O-CA 3.28Å; G19-G354 WeakPolarHBondContact O-CA 3.44Å; G19-G354 PolarHBondContact O-N 3.07Å
20P97.1Very high96Very high12 Ų1266 Ų668%0.07833%0.334CS..SBendtrans-70.920.4175.538.2-44.8000112.8M178 K201 L313 A340 R352P20-M178 HydrophobicContact CB-CE 4.31Å; P20-M178 WeakPolarHBondContact O-CE 3.5Å; P20-K201 PolarHBondContact O-NZ 3.29Å; P20-L313 VanDerWaalsContact CA-CD1 3.49Å; P20-L313 HydrophobicContact CB-CD1 3.55Å; P20-A340 HydrophobicContact CG-CB 3.99Å; P20-R352 VanDerWaalsContact CG-NH1 3.35Å
21G93.3Very high96.2Very high20 Ų2065.8 Ų65.821%0.20633%0.326CS..SBendtrans106.6146.7-171.600000113.2G19G19-G21 PolarHBondContact O-N 2.89Å
22P96.7Very high96.4Very high66 Ų6657.3 Ų57.343%0.42929%0.287SS..PPolyproline II helixcis-69.9153.13.531.4-35.8000112.6L17 Q200L17-P22 WeakPolarHBondContact CB-O 3.09Å; P22-Q200 WeakPolarHBondContact CA-O 3.3Å; P22-Q200 HydrophobicContact CB-CB 4.01Å; P22-Q200 HydrophobicContact CB-CG 4.12Å
23T97.7Very high96.8Very high6 Ų652.6 Ų52.64%0.03726%0.262CS..PPolyproline II helixtrans-83.6170.2170.565.60000110.9Q200 K201 S204 M356T23-Q200 PolarHBondContact N-O 2.86Å; T23-K201 WeakPolarHBondContact CG2-O 3.35Å; T23-K201 PolarHBondContact OG1-O 3.26Å; T23-S204 WeakPolarHBondContact OG1-CA 3.44Å; T23-S204 WeakPolarHBondContact OG1-CB 3.46Å; T23-S204 PolarHBondContact OG1-OG 3.4Å; T23-M356 HydrophobicContact CG2-CG 3.23Å; T23-M356 HydrophobicContact CG2-SD 3.82Å
24N98.2Very high97.1Very high25 Ų2548.5 Ų48.513%0.13426%0.26CS..PPolyproline II helixtrans-58.9151.2158.6-60.782.9000109.4R15 L17 S204 N359R15-N24 PolarHBondContact O-ND2 3.07Å; L17-N24 WeakPolarHBondContact CB-OD1 3.48Å; L17-N24 PolarHBondContact N-OD1 2.77Å; N24-S204 WeakPolarHBondContact O-CB 3.3Å; N24-N359 WeakPolarHBondContact CB-OD1 3.42Å; N24-N359 PolarHBondContact N-ND2 2.97Å; N24-N359 PolarHBondContact OD1-ND2 3.2Å; N24-N359 PolarHBondContact OD1-OD1 2.89Å
25L97.7Very high97.4Very high45 Ų4545.1 Ų45.124%0.23625%0.246CC..PPolyproline II helixtrans-75.8147.8180-58.3-174.7000110.4Q30 L33 S204 P206 H358L25-Q30 HydrophobicContact CB-CB 4.12Å; L25-Q30 HydrophobicContact CD1-CB 4.05Å; L25-Q30 HydrophobicContact CD1-CG 4.26Å; L25-L33 HydrophobicContact CD1-CD1 3.93Å; L25-S204 CarbonylContact C-O 3.03Å; L25-S204 WeakPolarHBondContact CA-O 3.47Å; L25-P206 HydrophobicContact CD1-CG 4Å; L25-P206 HydrophobicContact CD2-CG 3.9Å; L25-H358 PolarHBondContact O-CD2 2.78Å
26L96.7Very high97.4Very high23 Ų2347.2 Ų47.212%0.1227%0.268CS..PPolyproline II helixtrans-60.7135.1159.5-82.8163.1000108.8S28 A29 Q30 S204 N270 H358L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.34Å; L26-A29 HydrophobicContact CB-CB 3.85Å; L26-A29 CarbonylContact O-C 3.58Å; L26-A29 WeakPolarHBondContact O-CA 3.32Å; L26-A29 WeakPolarHBondContact O-CB 3.2Å; L26-A29 PolarHBondContact O-N 3.32Å; L26-Q30 PolarHBondContact O-N 2.75Å; L26-S204 PolarHBondContact N-O 2.75Å; L26-N270 HydrophobicContact CD1-CB 4.47Å; L26-H358 HydrophobicContact CD2-CB 3.84Å; L26-H358 HydrophobicContact CG-CB 4.01Å
27P97.2Very high97.4Very high69 Ų6949.7 Ų49.745%0.44828%0.283SS..Hα-helixtrans-52.8-45.2179.3-30.435.9000113.2A29 Q30 D31P27-A29 VanDerWaalsContact C-N 3.32Å; P27-A29 PolarHBondContact O-N 2.94Å; P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 3.28Å; P27-Q30 VanDerWaalsContact O-N 3.14Å; P27-D31 PolarHBondContact O-N 2.68Å
28S97.6Very high97.2Very high23 Ų2349.8 Ų49.816%0.16129%0.285CS..Hα-helixtrans-65.2-33.4176.559.40000113.4L26 A32 N270L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.34Å; S28-A32 WeakPolarHBondContact O-CB 3.42Å; S28-A32 PolarHBondContact O-N 3.43Å; S28-N270 PolarHBondContact OG-ND2 2.97Å
29A97.9Very high97Very high0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-71.8-33.2175.200000111.3L26 P27 L33 A263L26-A29 HydrophobicContact CB-CB 3.85Å; L26-A29 CarbonylContact O-C 3.58Å; L26-A29 WeakPolarHBondContact O-CA 3.32Å; L26-A29 WeakPolarHBondContact O-CB 3.2Å; L26-A29 PolarHBondContact O-N 3.32Å; P27-A29 VanDerWaalsContact C-N 3.32Å; P27-A29 PolarHBondContact O-N 2.94Å; A29-L33 WeakPolarHBondContact O-CG 3.41Å; A29-A263 HydrophobicContact CB-CB 4.19Å; A29-A263 WeakPolarHBondContact CB-O 3.47Å; A29-A263 WeakPolarHBondContact O-CB 3.46Å
30Q97.6Very high96.7Very high107 Ų10755.1 Ų55.150%0.531%0.311SS..Hα-helixtrans-67.9-46.5173.3-178.1172.40.100111.4L25 L26 P27 A32 L33L25-Q30 HydrophobicContact CB-CB 4.12Å; L25-Q30 HydrophobicContact CD1-CB 4.05Å; L25-Q30 HydrophobicContact CD1-CG 4.26Å; L26-Q30 PolarHBondContact O-N 2.75Å; P27-Q30 WeakPolarHBondContact O-CB 3.3Å; P27-Q30 PolarHBondContact O-N 3.28Å; P27-Q30 VanDerWaalsContact O-N 3.14Å; Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 3.08Å; Q30-L33 WeakPolarHBondContact O-CB 3.48Å; Q30-L33 PolarHBondContact O-N 2.89Å; Q30-L33 VanDerWaalsContact O-N 3.14Å
31D98.3Very high96.7Very high109 Ų10957.9 Ų57.958%0.58333%0.325SS*.Hα-helixtrans-59.1-41.5176.7-67.7-22.3000111.2P27 L33 T34P27-D31 PolarHBondContact O-N 2.68Å; D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 VanDerWaalsContact O-N 3.12Å; D31-T34 PolarHBondContact O-N 3.01Å; D31-T34 PolarHBondContact O-OG1 2.84Å
32A98.1Very high96.9Very high3 Ų362.4 Ų62.43%0.02534%0.341CS..Hα-helixtrans-59.1-24.1178.500000114.1S28 Q30 T34 M35 E266S28-A32 WeakPolarHBondContact O-CB 3.42Å; S28-A32 PolarHBondContact O-N 3.43Å; Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 3.08Å; A32-T34 PolarHBondContact O-N 3.48Å; A32-M35 HydrophobicContact CB-SD 4.18Å; A32-M35 WeakPolarHBondContact O-CB 3.48Å; A32-M35 PolarHBondContact O-N 2.83Å; A32-E266 HydrophobicContact CB-CB 4.42Å; A32-E266 HydrophobicContact CB-CG 3.93Å
33L97.8Very high96.9Very high58 Ų5862.7 Ų62.730%0.30435%0.349SS..THydrogen-bonded Turntrans-67.7-17.7176.4-61.1170.9000113.1L25 A29 Q30 D31 P206 P259 L260 A263L25-L33 HydrophobicContact CD1-CD1 3.93Å; A29-L33 WeakPolarHBondContact O-CG 3.41Å; Q30-L33 WeakPolarHBondContact O-CB 3.48Å; Q30-L33 PolarHBondContact O-N 2.89Å; Q30-L33 VanDerWaalsContact O-N 3.14Å; D31-L33 PolarHBondContact O-N 3.36Å; D31-L33 VanDerWaalsContact O-N 3.12Å; L33-P206 HydrophobicContact CD1-CG 3.64Å; L33-P206 HydrophobicContact CD2-CG 3.85Å; L33-P206 HydrophobicContact CG-CG 4.3Å; L33-P259 HydrophobicContact CD2-CB 4.34Å; L33-L260 HydrophobicContact CD2-CD2 4.27Å; L33-A263 HydrophobicContact CD2-CB 3.85Å; L33-A263 HydrophobicContact CG-CB 4.41Å
34T97.2Very high96.9Very high123 Ų12367.5 Ų67.576%0.75537%0.374SS*.THydrogen-bonded Turntrans-98-0.3-179.4690000113.3D31 A32D31-T34 PolarHBondContact O-N 3.01Å; D31-T34 PolarHBondContact O-OG1 2.84Å; A32-T34 PolarHBondContact O-N 3.48Å
35M97.2Very high96.8Very high90 Ų9066.3 Ų66.344%0.44337%0.368SS..SBendtrans-64.7152.3177.9-70.7176.564.500111.9A32 Y262A32-M35 HydrophobicContact CB-SD 4.18Å; A32-M35 WeakPolarHBondContact O-CB 3.48Å; A32-M35 PolarHBondContact O-N 2.83Å; M35-Y262 HydrophobicContact CB-CD2 3.77Å; M35-Y262 HydrophobicContact CB-CE2 3.99Å; M35-Y262 HydrophobicContact SD-CD2 4.32Å; M35-Y262 HydrophobicContact SD-CG 4.42Å
36P96.9Very high96.9Very high107 Ų10765.3 Ų65.370%0.69536%0.364SS*.PPolyproline II helixtrans-57.1145.6179.2-25.134.4000113.8Y262P36-Y262 WeakPolarHBondContact O-CE2 3.5Å; P36-Y262 PolarHBondContact O-OH 2.99Å
37M96.6Very high96.9Very high124 Ų12469.6 Ų69.661%0.61138%0.383SS*.PPolyproline II helixtrans-68139.3170-66.8-58.9-71.100110.4M258 P259M37-M258 HydrophobicContact CE-CB 4.25Å; M37-M258 HydrophobicContact CE-CE 3.6Å; M37-P259 HydrophobicContact SD-CG 3.69Å
38T94.4Very high97Very high35 Ų3567.7 Ų67.722%0.21537%0.369CS..  trans-118.6165.7173.257.40000109.7F45 M258 Y262T38-F45 WeakPolarHBondContact OG1-CB 3.23Å; T38-M258 WeakPolarHBondContact O-CE 3.25Å; T38-Y262 WeakPolarHBondContact CG2-OH 3.43Å; T38-Y262 PolarHBondContact OG1-OH 3.38Å
39G95Very high97Very high19 Ų1966.6 Ų66.620%0.19636%0.361CS..  trans-71.8140.6171.100000111L41 H42G39-L41 PolarHBondContact O-N 3Å; G39-H42 PolarHBondContact N-ND1 2.91Å; G39-H42 WeakPolarHBondContact O-CB 3.44Å; G39-H42 PolarHBondContact O-N 3.09Å
40Y92.4Very high97.1Very high93 Ų9369.8 Ų69.837%0.36538%0.378SS..THydrogen-bonded Turntrans-65.5-5.8-173.356.2-97000115.1Y242 Y252 T255Y40-Y242 WeakPolarHBondContact O-CE2 3.38Å; Y40-Y242 PolarHBondContact O-OH 3.32Å; Y40-Y252 AromaticContact CD2-CD2 3.77Å; Y40-Y252 HydrophobicContact CD2-CD2 3.77Å; Y40-Y252 HydrophobicContact CD2-CE2 4.27Å; Y40-Y252 AromaticContact CE2-CD2 3.36Å; Y40-Y252 HydrophobicContact CE2-CD2 3.36Å; Y40-Y252 AromaticContact CE2-CE2 3.98Å; Y40-Y252 HydrophobicContact CE2-CE2 3.98Å; Y40-Y252 HydrophobicContact CE2-CG 4.23Å; Y40-Y252 AromaticContact CZ-CD2 3.95Å; Y40-T255 HydrophobicContact CD1-CG2 4.35Å
41L96.2Very high97.1Very high70 Ų7067.8 Ų67.837%0.36637%0.369SS..THydrogen-bonded Turntrans-129.310.8171.7-74.7171.9000112.5G39 Y242 R250G39-L41 PolarHBondContact O-N 3Å; L41-Y242 HydrophobicContact CD2-CD2 4.14Å; L41-Y242 HydrophobicContact CD2-CE2 3.82Å; L41-Y242 HydrophobicContact CG-CE2 4.41Å; L41-R250 HydrophobicContact CD2-CB 3.95Å
42H97.4Very high97.2Very high115 Ų11562.6 Ų62.653%0.53234%0.341SS..  trans-66.4146.9174.5-71.3-169.8000110.1G39 D44 F45 T46G39-H42 PolarHBondContact N-ND1 2.91Å; G39-H42 WeakPolarHBondContact O-CB 3.44Å; G39-H42 PolarHBondContact O-N 3.09Å; H42-D44 VanDerWaalsContact C-N 3.31Å; H42-D44 PolarHBondContact O-N 3.09Å; H42-F45 PolarHBondContact O-N 3.2Å; H42-T46 PolarHBondContact O-N 3.34Å; H42-T46 PolarHBondContact O-OG1 3.31Å
43A97.3Very high97.2Very high72 Ų7263.5 Ų63.560%0.59535%0.345SS*.Hα-helixtrans-52.5-48.6-177.300000112F45 T46 Q47A43-F45 VanDerWaalsContact C-N 3.27Å; A43-F45 PolarHBondContact O-N 3.38Å; A43-T46 WeakPolarHBondContact CA-OG1 3.43Å; A43-T46 PolarHBondContact O-N 3.05Å; A43-T46 PolarHBondContact O-OG1 3.4Å; A43-Q47 WeakPolarHBondContact O-CB 3.28Å; A43-Q47 PolarHBondContact O-N 2.9Å
44D96.3Very high97.2Very high107 Ų10763.3 Ų63.357%0.57235%0.351SS*.Hα-helixtrans-56-40.7178.5-56.8-16.8000112.3H42 I48H42-D44 VanDerWaalsContact C-N 3.31Å; H42-D44 PolarHBondContact O-N 3.09Å; D44-I48 WeakPolarHBondContact O-CG1 3.32Å; D44-I48 PolarHBondContact O-N 3.27Å
45F98.1Very high97.3Very high0 Ų057.8 Ų57.80%032%0.319CS..Hα-helixtrans-72.1-44.8178.8-175.7-121.2000111.9T38 H42 A43 Q47 I48 M49 Y242 A256 M258 V261 Y262T38-F45 WeakPolarHBondContact OG1-CB 3.23Å; H42-F45 PolarHBondContact O-N 3.2Å; A43-F45 VanDerWaalsContact C-N 3.27Å; A43-F45 PolarHBondContact O-N 3.38Å; F45-Q47 PolarHBondContact O-N 2.81Å; F45-I48 WeakPolarHBondContact O-CB 3.44Å; F45-I48 PolarHBondContact O-N 3.02Å; F45-I48 VanDerWaalsContact O-N 3.09Å; F45-M49 HydrophobicContact CD1-CG 4.31Å; F45-M49 HydrophobicContact CD1-SD 3.84Å; F45-M49 HydrophobicContact CE1-CG 3.92Å; F45-M49 HydrophobicContact CE1-SD 3.5Å; F45-M49 VanDerWaalsContact CE1-SD 3.5Å; F45-M49 HydrophobicContact CE2-CG 4.33Å; F45-M49 HydrophobicContact CZ-CG 3.93Å; F45-M49 HydrophobicContact CZ-SD 4.11Å; F45-M49 WeakPolarHBondContact O-CG 3.41Å; F45-M49 PolarHBondContact O-N 3.29Å; F45-Y242 WeakPolarHBondContact CE1-OH 3.42Å; F45-A256 HydrophobicContact CE1-CB 3.74Å; F45-A256 HydrophobicContact CZ-CB 3.71Å; F45-M258 HydrophobicContact CD1-CG 4.28Å; F45-M258 HydrophobicContact CD2-CB 4.38Å; F45-M258 HydrophobicContact CD2-CG 3.7Å; F45-M258 HydrophobicContact CE1-CG 4.08Å; F45-M258 HydrophobicContact CE1-SD 4.23Å; F45-M258 HydrophobicContact CE2-CB 3.98Å; F45-M258 HydrophobicContact CE2-CG 3.51Å; F45-M258 HydrophobicContact CG-CG 4.1Å; F45-M258 HydrophobicContact CZ-CB 4.42Å; F45-M258 HydrophobicContact CZ-CG 3.69Å; F45-M258 HydrophobicContact CZ-SD 4.16Å; F45-V261 HydrophobicContact CE2-CB 4Å; F45-V261 HydrophobicContact CE2-CG1 3.99Å; F45-V261 HydrophobicContact CE2-CG2 4.35Å; F45-V261 HydrophobicContact CZ-CB 4.27Å; F45-V261 HydrophobicContact CZ-CG1 4.31Å; F45-V261 HydrophobicContact CZ-CG2 4.11Å; F45-Y262 AromaticContact CD2-CE1 3.84Å; F45-Y262 HydrophobicContact CD2-CE1 3.84Å; F45-Y262 HydrophobicContact CE2-CE1 4.05Å
46T98Very high97.4Very high25 Ų2553.5 Ų53.515%0.15330%0.298CS..Hα-helixtrans-64.3-31.5178.754.50000112.2H42 A43 M49 D50H42-T46 PolarHBondContact O-N 3.34Å; H42-T46 PolarHBondContact O-OG1 3.31Å; A43-T46 WeakPolarHBondContact CA-OG1 3.43Å; A43-T46 PolarHBondContact O-N 3.05Å; A43-T46 PolarHBondContact O-OG1 3.4Å; T46-M49 HydrophobicContact CG2-SD 4.44Å; T46-M49 WeakPolarHBondContact O-CB 3.33Å; T46-M49 PolarHBondContact O-N 2.87Å; T46-D50 PolarHBondContact O-N 2.87Å
47Q98.3Very high97.5Very high112 Ų11251 Ų5152%0.52328%0.277SS..Hα-helixtrans-63.1-46.1170.8178.8179.6-9.900111.2A43 F45 M49 D50 E51A43-Q47 WeakPolarHBondContact O-CB 3.28Å; A43-Q47 PolarHBondContact O-N 2.9Å; F45-Q47 PolarHBondContact O-N 2.81Å; Q47-M49 VanDerWaalsContact C-N 3.27Å; Q47-M49 PolarHBondContact O-N 3.37Å; Q47-D50 PolarHBondContact O-N 3.18Å; Q47-D50 VanDerWaalsContact O-N 3.08Å; Q47-E51 PolarHBondContact NE2-OE1 3.28Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.29Å
48I98.5Very high97.6Very high29 Ų2948.6 Ų48.615%0.14926%0.261CS..Hα-helixtrans-59.8-40.5175.2-68166.1000110.8D44 F45 D50 E51 V52 V261 Y262 R265D44-I48 WeakPolarHBondContact O-CG1 3.32Å; D44-I48 PolarHBondContact O-N 3.27Å; F45-I48 WeakPolarHBondContact O-CB 3.44Å; F45-I48 PolarHBondContact O-N 3.02Å; F45-I48 VanDerWaalsContact O-N 3.09Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.34Å; I48-E51 PolarHBondContact O-N 3.44Å; I48-V52 WeakPolarHBondContact O-CG2 3.33Å; I48-V52 PolarHBondContact O-N 2.86Å; I48-V261 HydrophobicContact CG2-CG1 4Å; I48-Y262 HydrophobicContact CD1-CD1 3.87Å; I48-Y262 HydrophobicContact CD1-CE1 3.63Å; I48-Y262 HydrophobicContact CG2-CD1 4.12Å; I48-R265 HydrophobicContact CG2-CB 4.14Å; I48-R265 HydrophobicContact CG2-CG 4.2Å
49M98.6Very high97.8Very high0 Ų047.3 Ų47.30%025%0.253CS..Hα-helixtrans-59.4-42.1174.4-64.6172.273.300111.4F45 T46 Q47 V52 K53 Y242 W243F45-M49 HydrophobicContact CD1-CG 4.31Å; F45-M49 HydrophobicContact CD1-SD 3.84Å; F45-M49 HydrophobicContact CE1-CG 3.92Å; F45-M49 HydrophobicContact CE1-SD 3.5Å; F45-M49 VanDerWaalsContact CE1-SD 3.5Å; F45-M49 HydrophobicContact CE2-CG 4.33Å; F45-M49 HydrophobicContact CZ-CG 3.93Å; F45-M49 HydrophobicContact CZ-SD 4.11Å; F45-M49 WeakPolarHBondContact O-CG 3.41Å; F45-M49 PolarHBondContact O-N 3.29Å; T46-M49 HydrophobicContact CG2-SD 4.44Å; T46-M49 WeakPolarHBondContact O-CB 3.33Å; T46-M49 PolarHBondContact O-N 2.87Å; Q47-M49 VanDerWaalsContact C-N 3.27Å; Q47-M49 PolarHBondContact O-N 3.37Å; M49-V52 PolarHBondContact O-N 2.99Å; M49-K53 VanDerWaalsContact O-CG 3.28Å; M49-K53 WeakPolarHBondContact O-CG 3.48Å; M49-K53 PolarHBondContact O-N 3.37Å; M49-Y242 HydrophobicContact CE-CD1 3.9Å; M49-Y242 HydrophobicContact CE-CE1 3.62Å; M49-Y242 HydrophobicContact SD-CE1 4.4Å; M49-W243 HydrophobicContact CB-CE3 4.14Å; M49-W243 HydrophobicContact CB-CZ3 4.11Å; M49-W243 HydrophobicContact CE-CB 4.33Å; M49-W243 HydrophobicContact CE-CD2 3.56Å; M49-W243 HydrophobicContact CE-CE3 3.93Å; M49-W243 HydrophobicContact CE-CG 3.74Å; M49-W243 HydrophobicContact CE-CZ2 4.42Å; M49-W243 HydrophobicContact CE-CZ3 4.49Å; M49-W243 HydrophobicContact CG-CZ3 4.46Å
50D98.6Very high98Very high68 Ų6846.5 Ų46.536%0.36424%0.244SC..Hα-helixtrans-67.4-37.8178-71.5-32000112.8T46 Q47 I48 K53 A54 R250T46-D50 PolarHBondContact O-N 2.87Å; Q47-D50 PolarHBondContact O-N 3.18Å; Q47-D50 VanDerWaalsContact O-N 3.08Å; I48-D50 VanDerWaalsContact C-N 3.3Å; I48-D50 PolarHBondContact O-N 3.34Å; D50-K53 PolarHBondContact O-N 3Å; D50-K53 IonicContact OD1-NZ 3.23Å; D50-K53 PolarHBondContact OD1-NZ 2.92Å; D50-A54 PolarHBondContact O-N 2.83Å; D50-R250 IonicContact OD1-CZ 2.83Å; D50-R250 IonicContact OD1-NH2 2.77Å; D50-R250 PolarHBondContact OD1-NH2 2.98Å; D50-R250 IonicContact OD2-NH2 3.82Å; D50-R250 PolarHBondContact OD2-NH2 3.24Å
51E98.8Very high98.3Very high64 Ų6446.3 Ų46.330%0.29925%0.247SC..Hα-helixtrans-63-41.2171.5-68.6175.5-169.800111.7Q47 I48 A54 G55 R265Q47-E51 PolarHBondContact NE2-OE1 3.28Å; Q47-E51 WeakPolarHBondContact O-CG 3.37Å; Q47-E51 PolarHBondContact O-N 3.29Å; I48-E51 PolarHBondContact O-N 3.44Å; E51-A54 PolarHBondContact O-N 2.74Å; E51-G55 PolarHBondContact O-N 2.92Å; E51-R265 HydrophobicContact CB-CG 4.42Å; E51-R265 IonicContact OE1-NH2 3.4Å; E51-R265 IonicContact OE2-CZ 3.56Å; E51-R265 IonicContact OE2-NE 2.62Å; E51-R265 PolarHBondContact OE2-NE 3.19Å; E51-R265 IonicContact OE2-NH2 2.65Å; E51-R265 PolarHBondContact OE2-NH2 3.49Å
52V98.8Very high98.4Very high1 Ų143.5 Ų43.51%0.00623%0.232CC..Hα-helixtrans-61.5-44.5173.9168.40000110.6I48 M49 A54 G55 L56 W243 V261 V264 R265 L268I48-V52 WeakPolarHBondContact O-CG2 3.33Å; I48-V52 PolarHBondContact O-N 2.86Å; M49-V52 PolarHBondContact O-N 2.99Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 2.98Å; V52-G55 PolarHBondContact O-N 3.17Å; V52-L56 HydrophobicContact CG1-CD1 3.91Å; V52-L56 HydrophobicContact CG1-CG 4.13Å; V52-L56 WeakPolarHBondContact O-CB 3.38Å; V52-L56 VanDerWaalsContact O-CG 3.26Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 3Å; V52-W243 HydrophobicContact CB-CZ3 4.28Å; V52-W243 HydrophobicContact CG1-CH2 4.11Å; V52-W243 HydrophobicContact CG1-CZ3 3.94Å; V52-V261 HydrophobicContact CG2-CG1 3.98Å; V52-V264 HydrophobicContact CG1-CG1 4.06Å; V52-R265 HydrophobicContact CG2-CB 3.67Å; V52-R265 HydrophobicContact CG2-CG 4.29Å; V52-L268 HydrophobicContact CB-CD1 4.35Å; V52-L268 HydrophobicContact CG1-CD1 4.03Å; V52-L268 HydrophobicContact CG2-CD1 4.45Å
53K98.8Very high98.4Very high22 Ų2248.7 Ų48.710%0.09625%0.247CC..Hα-helixtrans-58.8-46.6177.1-67.8169.951.4-165.60111.7M49 D50 G55 L56 Q57 T67 W243 G244M49-K53 VanDerWaalsContact O-CG 3.28Å; M49-K53 WeakPolarHBondContact O-CG 3.48Å; M49-K53 PolarHBondContact O-N 3.37Å; D50-K53 PolarHBondContact O-N 3Å; D50-K53 IonicContact OD1-NZ 3.23Å; D50-K53 PolarHBondContact OD1-NZ 2.92Å; K53-G55 PolarHBondContact O-N 2.56Å; K53-L56 PolarHBondContact O-N 2.86Å; K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 WeakPolarHBondContact O-CG 3.39Å; K53-Q57 PolarHBondContact O-N 3.47Å; K53-T67 VanDerWaalsContact CG-O 3.25Å; K53-T67 WeakPolarHBondContact CG-O 3.46Å; K53-W243 HydrophobicContact CD-CE3 4.05Å; K53-W243 WeakPolarHBondContact CD-O 3.44Å; K53-W243 WeakPolarHBondContact CE-O 3.49Å; K53-W243 HydrophobicContact CG-CE3 3.8Å; K53-W243 HydrophobicContact CG-CZ3 4.2Å; K53-W243 PolarHBondContact NZ-O 3.48Å; K53-G244 PolarHBondContact NZ-O 3.46Å
54A98.8Very high98.5Very high53 Ų5346.1 Ų46.144%0.43822%0.223SC..Hα-helixtrans-61.8-43.1177.500000111.9D50 E51 V52 Q57 Y58D50-A54 PolarHBondContact O-N 2.83Å; E51-A54 PolarHBondContact O-N 2.74Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 2.98Å; A54-Q57 WeakPolarHBondContact O-CB 3.38Å; A54-Q57 PolarHBondContact O-N 3.13Å; A54-Y58 PolarHBondContact O-N 3.29Å
55G98.8Very high98.6Very high8 Ų846.4 Ų46.48%0.08222%0.216CC..Hα-helixtrans-65.2-38175.400000112.9E51 V52 K53 Y58 M59E51-G55 PolarHBondContact O-N 2.92Å; V52-G55 PolarHBondContact O-N 3.17Å; K53-G55 PolarHBondContact O-N 2.56Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 3.21Å; G55-M59 WeakPolarHBondContact O-CG 3.29Å; G55-M59 PolarHBondContact O-N 3.03Å
56L98.8Very high98.6Very high0 Ų047.3 Ų47.30%022%0.22CC..Hα-helixtrans-68.1-40.4175.2-70.8-178.1000111.9V52 K53 Y58 M59 F60 T67 M68 A69 P211 L268V52-L56 HydrophobicContact CG1-CD1 3.91Å; V52-L56 HydrophobicContact CG1-CG 4.13Å; V52-L56 WeakPolarHBondContact O-CB 3.38Å; V52-L56 VanDerWaalsContact O-CG 3.26Å; V52-L56 WeakPolarHBondContact O-CG 3.37Å; V52-L56 PolarHBondContact O-N 3Å; K53-L56 PolarHBondContact O-N 2.86Å; L56-Y58 VanDerWaalsContact C-N 3.26Å; L56-Y58 PolarHBondContact O-N 2.95Å; L56-M59 PolarHBondContact O-N 3.31Å; L56-F60 HydrophobicContact CB-CD2 4.46Å; L56-F60 WeakPolarHBondContact O-CB 3.32Å; L56-F60 VanDerWaalsContact O-CD2 3.27Å; L56-F60 WeakPolarHBondContact O-CD2 3.25Å; L56-F60 PolarHBondContact O-N 3Å; L56-T67 HydrophobicContact CB-CG2 3.47Å; L56-T67 VanDerWaalsContact CB-CG2 3.47Å; L56-T67 HydrophobicContact CD1-CG2 4.45Å; L56-M68 WeakPolarHBondContact CD1-O 3.49Å; L56-A69 HydrophobicContact CD1-CB 4.43Å; L56-P211 HydrophobicContact CD1-CB 3.96Å; L56-P211 HydrophobicContact CD1-CG 4.46Å; L56-P211 HydrophobicContact CD2-CB 3.61Å; L56-P211 HydrophobicContact CD2-CG 3.71Å; L56-P211 HydrophobicContact CG-CB 4.39Å; L56-L268 HydrophobicContact CD2-CD1 4.01Å; L56-L268 HydrophobicContact CD2-CD2 3.96Å; L56-L268 HydrophobicContact CG-CD1 4.02Å
57Q98.9Very high98.6Very high53 Ų5346.1 Ų46.125%0.24821%0.213CC..Hα-helixtrans-58.1-41.2172-77.4171-24.500111.2K53 A54 Q61 T62 N64 T67K53-Q57 WeakPolarHBondContact O-CB 3.35Å; K53-Q57 WeakPolarHBondContact O-CG 3.39Å; K53-Q57 PolarHBondContact O-N 3.47Å; A54-Q57 WeakPolarHBondContact O-CB 3.38Å; A54-Q57 PolarHBondContact O-N 3.13Å; Q57-Q61 WeakPolarHBondContact O-CA 3.39Å; Q57-Q61 PolarHBondContact O-N 3.41Å; Q57-T62 HydrophobicContact CB-CG2 4.45Å; Q57-T62 WeakPolarHBondContact CB-O 3.43Å; Q57-T62 HydrophobicContact CG-CG2 4.33Å; Q57-T62 PolarHBondContact O-N 3.39Å; Q57-N64 PolarHBondContact NE2-O 3.32Å; Q57-T67 HydrophobicContact CG-CG2 3.94Å
58Y98.7Very high98.7Very high74 Ų7440.8 Ų40.829%0.2919%0.188SC..Hα-helixtrans-62.1-48.3172.9177.4-103.9000112.3A54 G55 L56 F60 Q61 V272 L276A54-Y58 PolarHBondContact O-N 3.29Å; G55-Y58 WeakPolarHBondContact O-CB 3.37Å; G55-Y58 PolarHBondContact O-N 3.21Å; L56-Y58 VanDerWaalsContact C-N 3.26Å; L56-Y58 PolarHBondContact O-N 2.95Å; Y58-F60 PolarHBondContact O-N 3.44Å; Y58-Q61 PolarHBondContact O-N 2.92Å; Y58-Q61 PolarHBondContact O-NE2 2.87Å; Y58-V272 HydrophobicContact CD1-CG2 3.74Å; Y58-V272 HydrophobicContact CE1-CG2 3.93Å; Y58-V272 HydrophobicContact CG-CG2 4.29Å; Y58-L276 HydrophobicContact CE1-CB 3.76Å; Y58-L276 WeakPolarHBondContact OH-CB 3.43Å; Y58-L276 PolarHBondContact OH-N 3.48Å
59M98.5Very high98.7Very high9 Ų939.4 Ų39.44%0.04418%0.181CC..Hα-helixtrans-64.7-41.1-179.8-70.1-59.4-63.700113G55 L56 Q61 L180 L203 L268 A271 L276G55-M59 WeakPolarHBondContact O-CG 3.29Å; G55-M59 PolarHBondContact O-N 3.03Å; L56-M59 PolarHBondContact O-N 3.31Å; M59-Q61 VanDerWaalsContact C-N 3.26Å; M59-L180 HydrophobicContact CB-CD1 4.15Å; M59-L180 HydrophobicContact CB-CD2 4.37Å; M59-L180 HydrophobicContact CB-CG 4.33Å; M59-L180 WeakPolarHBondContact O-CD1 3.33Å; M59-L203 HydrophobicContact CE-CD2 4.41Å; M59-L268 HydrophobicContact CG-CD2 3.51Å; M59-A271 HydrophobicContact SD-CB 3.71Å; M59-L276 HydrophobicContact CE-CD1 4.01Å; M59-L276 HydrophobicContact SD-CD1 4.03Å
60F98.8Very high98.6Very high1 Ų139.5 Ų39.50%0.00418%0.182CC..Hα-helixtrans-77.7-11.4176.7-77.6-62.4000113.1L56 Y58 T62 T67 M176 L180 V187 A195 P211 T213L56-F60 HydrophobicContact CB-CD2 4.46Å; L56-F60 WeakPolarHBondContact O-CB 3.32Å; L56-F60 VanDerWaalsContact O-CD2 3.27Å; L56-F60 WeakPolarHBondContact O-CD2 3.25Å; L56-F60 PolarHBondContact O-N 3Å; Y58-F60 PolarHBondContact O-N 3.44Å; F60-T62 HydrophobicContact CB-CG2 3.61Å; F60-T67 HydrophobicContact CD2-CG2 4.41Å; F60-M176 HydrophobicContact CD1-SD 4.22Å; F60-M176 HydrophobicContact CE1-SD 4.2Å; F60-L180 HydrophobicContact CD1-CD1 3.51Å; F60-L180 HydrophobicContact CD1-CD2 4.28Å; F60-L180 HydrophobicContact CE1-CD1 3.76Å; F60-L180 HydrophobicContact CE1-CD2 3.81Å; F60-L180 HydrophobicContact CE1-CG 4.35Å; F60-L180 HydrophobicContact CE2-CD2 4.21Å; F60-L180 HydrophobicContact CG-CD1 4.06Å; F60-L180 HydrophobicContact CZ-CD1 4.49Å; F60-L180 HydrophobicContact CZ-CD2 3.77Å; F60-V187 HydrophobicContact CB-CB 4.49Å; F60-V187 HydrophobicContact CB-CG2 3.95Å; F60-V187 HydrophobicContact CD1-CG2 3.85Å; F60-V187 HydrophobicContact CG-CG2 4.29Å; F60-V187 WeakPolarHBondContact O-CB 3.26Å; F60-V187 WeakPolarHBondContact O-CG2 3.42Å; F60-V187 PolarHBondContact O-N 2.79Å; F60-A195 HydrophobicContact CD1-CB 4.18Å; F60-A195 HydrophobicContact CE1-CB 3.93Å; F60-P211 HydrophobicContact CE2-CB 3.85Å; F60-P211 HydrophobicContact CZ-CB 4.05Å; F60-T213 HydrophobicContact CB-CG2 4.2Å; F60-T213 HydrophobicContact CD1-CG2 4.07Å; F60-T213 HydrophobicContact CD2-CG2 3.89Å; F60-T213 HydrophobicContact CE1-CG2 4.4Å; F60-T213 HydrophobicContact CE2-CG2 4.23Å; F60-T213 HydrophobicContact CG-CG2 3.81Å; F60-T213 HydrophobicContact CZ-CG2 4.48Å
61Q98.8Very high98.6Very high90 Ų9037.4 Ų37.442%0.42117%0.172SC..THydrogen-bonded Turntrans49.657.5-170.4-65.1-73-65.700111.1Q57 Y58 M59 P186 L276Q57-Q61 WeakPolarHBondContact O-CA 3.39Å; Q57-Q61 PolarHBondContact O-N 3.41Å; Y58-Q61 PolarHBondContact O-N 2.92Å; Y58-Q61 PolarHBondContact O-NE2 2.87Å; M59-Q61 VanDerWaalsContact C-N 3.26Å; Q61-P186 HydrophobicContact CB-CB 3.76Å; Q61-P186 HydrophobicContact CG-CB 4.47Å; Q61-L276 HydrophobicContact CG-CD2 3.68Å
62T98.9Very high98.6Very high10 Ų1035.2 Ų35.26%0.06117%0.166CC..  trans-133.8151.7-178.2-178.80000111.7Q57 F60 N64 D188 T213Q57-T62 HydrophobicContact CB-CG2 4.45Å; Q57-T62 WeakPolarHBondContact CB-O 3.43Å; Q57-T62 HydrophobicContact CG-CG2 4.33Å; Q57-T62 PolarHBondContact O-N 3.39Å; F60-T62 HydrophobicContact CB-CG2 3.61Å; T62-N64 HydrophobicContact CG2-CB 4.36Å; T62-N64 VanDerWaalsContact OG1-CB 3.28Å; T62-N64 WeakPolarHBondContact OG1-CB 3.47Å; T62-N64 PolarHBondContact OG1-N 2.99Å; T62-N64 PolarHBondContact OG1-ND2 2.83Å; T62-D188 WeakPolarHBondContact CA-OD1 3.48Å; T62-D188 WeakPolarHBondContact CA-OD2 3.43Å; T62-D188 VanDerWaalsContact CB-OD1 3.23Å; T62-D188 WeakPolarHBondContact CB-OD1 3.26Å; T62-D188 PolarHBondContact OG1-OD1 3.28Å; T62-T213 HydrophobicContact CG2-CG2 4.26Å
63R98.7Very high98.6Very high225 Ų22537.7 Ų37.785%0.84918%0.183SC*.  trans-101.85.1169.7-61.2-172.2176.6-157.7-0.3113R65 D188R63-R65 PolarHBondContact O-N 2.82Å; R63-D188 PolarHBondContact N-OD2 3.23Å
64N98.8Very high98.5Very high17 Ų1737 Ų379%0.09118%0.183CC..  trans-54.6123.2179.5-73.4-23.5000111.1Q57 T62 F66 T67 T213 L214Q57-N64 PolarHBondContact NE2-O 3.32Å; T62-N64 HydrophobicContact CG2-CB 4.36Å; T62-N64 VanDerWaalsContact OG1-CB 3.28Å; T62-N64 WeakPolarHBondContact OG1-CB 3.47Å; T62-N64 PolarHBondContact OG1-N 2.99Å; T62-N64 PolarHBondContact OG1-ND2 2.83Å; N64-F66 PolarHBondContact O-N 3.34Å; N64-T67 PolarHBondContact O-OG1 2.93Å; N64-T213 VanDerWaalsContact CB-OG1 3.29Å; N64-T213 WeakPolarHBondContact CB-OG1 3.01Å; N64-T213 PolarHBondContact ND2-OG1 3.19Å; N64-L214 WeakPolarHBondContact CB-O 3.37Å; N64-L214 PolarHBondContact ND2-O 3.17Å
65R97.7Very high98.5Very high113 Ų11337.7 Ų37.743%0.42618%0.177SC..SBendtrans-60.4-31172.6-65.3-175.664.1172.84.9111.5R63 T67 D247R63-R65 PolarHBondContact O-N 2.82Å; R65-T67 PolarHBondContact O-N 3.44Å; R65-T67 VanDerWaalsContact O-N 3.07Å; R65-D247 IonicContact CZ-OD1 2.73Å; R65-D247 IonicContact CZ-OD2 3.67Å; R65-D247 IonicContact NH1-OD1 3.38Å; R65-D247 IonicContact NH1-OD2 2.76Å; R65-D247 PolarHBondContact NH1-OD2 3.4Å; R65-D247 IonicContact NH2-OD1 3.59Å; R65-D247 PolarHBondContact NH2-OD1 3.26Å; R65-D247 IonicContact NH2-OD2 2.71Å; R65-D247 PolarHBondContact NH2-OD2 3.06Å; R65-D247 VanDerWaalsContact NH2-OD2 3.08Å
66F98.5Very high98.5Very high19 Ų1938 Ų388%0.08318%0.179CC..EExtended strand (participates in β ladder)trans-87.154.9-178.5-48.1-71.2000111.9N64 M68 T213 L214 M219 C245 F246N64-F66 PolarHBondContact O-N 3.34Å; F66-M68 HydrophobicContact CB-CE 4.47Å; F66-T213 CarbonylContact O-C 3.53Å; F66-T213 VanDerWaalsContact O-CA 3.29Å; F66-T213 WeakPolarHBondContact O-CA 3.38Å; F66-L214 HydrophobicContact CB-CB 4.05Å; F66-L214 HydrophobicContact CB-CD1 4.44Å; F66-L214 PolarHBondContact O-N 2.75Å; F66-M219 HydrophobicContact CB-CG 3.87Å; F66-M219 HydrophobicContact CB-SD 4.08Å; F66-M219 HydrophobicContact CD1-CE 3.91Å; F66-M219 HydrophobicContact CD1-CG 3.74Å; F66-M219 HydrophobicContact CD1-SD 4.03Å; F66-M219 HydrophobicContact CD2-CB 4.03Å; F66-M219 HydrophobicContact CD2-CG 3.16Å; F66-M219 HydrophobicContact CD2-SD 4.37Å; F66-M219 HydrophobicContact CE1-CE 4.18Å; F66-M219 HydrophobicContact CE1-CG 4.12Å; F66-M219 HydrophobicContact CE2-CB 3.88Å; F66-M219 HydrophobicContact CE2-CG 3.5Å; F66-M219 HydrophobicContact CG-CB 4.45Å; F66-M219 HydrophobicContact CG-CE 4.34Å; F66-M219 HydrophobicContact CG-CG 3.25Å; F66-M219 HydrophobicContact CG-SD 3.86Å; F66-M219 HydrophobicContact CZ-CB 4.27Å; F66-M219 HydrophobicContact CZ-CG 3.97Å; F66-C245 HydrophobicContact CD1-CB 3.77Å; F66-C245 HydrophobicContact CE1-CB 4.21Å; F66-F246 AromaticContact CD1-CE1 3.87Å; F66-F246 HydrophobicContact CD1-CE1 3.87Å; F66-F246 HydrophobicContact CD1-CZ 4.19Å; F66-F246 AromaticContact CE1-CD1 3.59Å; F66-F246 HydrophobicContact CE1-CD1 3.59Å; F66-F246 AromaticContact CE1-CE1 3.12Å; F66-F246 HydrophobicContact CE1-CE1 3.12Å; F66-F246 AromaticContact CE1-CZ 3.89Å; F66-F246 HydrophobicContact CE1-CZ 3.89Å; F66-F246 HydrophobicContact CZ-CD1 4.32Å; F66-F246 AromaticContact CZ-CE1 3.96Å; F66-F246 HydrophobicContact CZ-CE1 3.96Å
67T98.9Very high98.5Very high0 Ų038 Ų380%018%0.179CC..EExtended strand (participates in β ladder)trans-112.2126.8173.6-57.90000108K53 L56 Q57 F60 N64 R65 I212 T213K53-T67 VanDerWaalsContact CG-O 3.25Å; K53-T67 WeakPolarHBondContact CG-O 3.46Å; L56-T67 HydrophobicContact CB-CG2 3.47Å; L56-T67 VanDerWaalsContact CB-CG2 3.47Å; L56-T67 HydrophobicContact CD1-CG2 4.45Å; Q57-T67 HydrophobicContact CG-CG2 3.94Å; F60-T67 HydrophobicContact CD2-CG2 4.41Å; N64-T67 PolarHBondContact O-OG1 2.93Å; R65-T67 PolarHBondContact O-N 3.44Å; R65-T67 VanDerWaalsContact O-N 3.07Å; T67-I212 WeakPolarHBondContact CA-O 3.28Å; T67-T213 WeakPolarHBondContact OG1-CB 3.35Å; T67-T213 PolarHBondContact OG1-OG1 3.23Å
68M98.5Very high98.5Very high0 Ų035.6 Ų35.60%017%0.167CC..EExtended strand (participates in β ladder)trans-160.1-177.4-17262.3-172.3106.200111.2L56 F66 P211 I212 L214 I239 W243L56-M68 WeakPolarHBondContact CD1-O 3.49Å; F66-M68 HydrophobicContact CB-CE 4.47Å; M68-P211 WeakPolarHBondContact O-CA 3.46Å; M68-I212 HydrophobicContact CG-CG2 3.6Å; M68-I212 PolarHBondContact N-O 3.23Å; M68-I212 PolarHBondContact O-N 2.85Å; M68-I212 VanDerWaalsContact O-O 3.14Å; M68-L214 HydrophobicContact CE-CD1 4.34Å; M68-I239 HydrophobicContact SD-CB 4.09Å; M68-I239 HydrophobicContact SD-CG2 3.52Å; M68-I239 VanDerWaalsContact SD-CG2 3.52Å; M68-W243 HydrophobicContact CB-CB 3.91Å; M68-W243 HydrophobicContact CB-CD2 3.7Å; M68-W243 HydrophobicContact CB-CE3 3.99Å; M68-W243 HydrophobicContact CB-CG 3.67Å; M68-W243 HydrophobicContact SD-CB 4.5Å
69A98.3Very high98.5Very high1 Ų136.3 Ų36.31%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-123.6135.5168.800000111.8L56 L209 S210 W243L56-A69 HydrophobicContact CD1-CB 4.43Å; A69-L209 HydrophobicContact CB-CD2 4.11Å; A69-S210 WeakPolarHBondContact CA-O 3.35Å; A69-W243 HydrophobicContact CB-CH2 3.67Å; A69-W243 HydrophobicContact CB-CZ2 3.7Å; A69-W243 WeakPolarHBondContact O-CZ2 3.31Å; A69-W243 PolarHBondContact O-NE1 3.02Å; A69-W243 VanDerWaalsContact O-NE1 3.08Å
70I98.5Very high98.5Very high1 Ų135.9 Ų35.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-86.5134.8174.7-63.9162.1000108.8G72 A76 A77 A80 L209 S210 I212 L234 L236 I239I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.28Å; I70-A76 HydrophobicContact CG2-CB 4.06Å; I70-A77 HydrophobicContact CD1-CB 3.87Å; I70-A80 HydrophobicContact CD1-CB 3.52Å; I70-L209 WeakPolarHBondContact O-CA 3.43Å; I70-L209 WeakPolarHBondContact O-CD2 3.44Å; I70-S210 PolarHBondContact N-O 3.26Å; I70-S210 PolarHBondContact O-N 2.89Å; I70-S210 PolarHBondContact O-OG 3.14Å; I70-I212 HydrophobicContact CD1-CB 4.27Å; I70-I212 HydrophobicContact CD1-CD1 3.93Å; I70-I212 HydrophobicContact CD1-CG2 3.87Å; I70-I212 HydrophobicContact CG1-CG2 3.98Å; I70-L234 HydrophobicContact CG2-CD2 3.95Å; I70-L236 HydrophobicContact CD1-CD2 4.03Å; I70-L236 HydrophobicContact CG1-CD2 4.43Å; I70-I239 HydrophobicContact CG1-CD1 4.38Å
71T98.3Very high98.5Very high25 Ų2535.8 Ų35.815%0.15317%0.171CC..EExtended strand (participates in β ladder)trans-71.389.7171.4-54.90000109.4Y233 H254 C257T71-Y233 WeakPolarHBondContact CB-OH 3.43Å; T71-Y233 VanDerWaalsContact CG2-OH 3.29Å; T71-Y233 WeakPolarHBondContact CG2-OH 3.5Å; T71-Y233 WeakPolarHBondContact O-CE1 3.37Å; T71-Y233 PolarHBondContact O-OH 3.34Å; T71-H254 WeakPolarHBondContact CB-NE2 3.39Å; T71-H254 PolarHBondContact OG1-NE2 3.5Å; T71-C257 HydrophobicContact CG2-CB 4.45Å
72G98.3Very high98.5Very high17 Ų1731.5 Ų31.518%0.17515%0.151CC..SBendtrans165.3164.6-177.700000111.6I70 G208 L209 S210I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 3.28Å; G72-G208 CarbonylContact C-O 3.47Å; G72-G208 WeakPolarHBondContact CA-O 3.47Å; G72-G208 PolarHBondContact N-O 3.01Å; G72-G208 CarbonylContact O-C 3.55Å; G72-G208 VanDerWaalsContact O-C 3.28Å; G72-L209 CarbonylContact O-C 3.52Å; G72-L209 WeakPolarHBondContact O-CA 3.46Å; G72-L209 PolarHBondContact O-N 2.95Å; G72-S210 PolarHBondContact O-N 3.14Å; G72-S210 PolarHBondContact O-OG 3.28Å
73S97.9Very high98.5Very high53 Ų5331.3 Ų31.337%0.37115%0.149SC..  trans-66.5176.4174.278.60000111.9H75 A76 S210S73-H75 PolarHBondContact O-N 2.82Å; S73-H75 PolarHBondContact OG-N 3.27Å; S73-A76 WeakPolarHBondContact O-CA 3.44Å; S73-A76 VanDerWaalsContact O-CB 3.25Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 3.26Å; S73-S210 PolarHBondContact O-OG 3.02Å
74G97.7Very high98.5Very high9 Ų920.6 Ų20.69%0.09311%0.109CC..Hα-helixtrans-52.8-29.5177.200000115.1A76 A77 M78G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.04Å; G74-A77 PolarHBondContact O-N 3.37Å; G74-M78 PolarHBondContact O-N 3.48Å; G74-M78 VanDerWaalsContact O-N 3.1Å
75H98.5Very high98.5Very high67 Ų6719.8 Ų19.831%0.3111%0.105SC..Hα-helixtrans-65.7-30.5173.9-78.868.3000112.8S73 A77 M78 E79 W100 M107S73-H75 PolarHBondContact O-N 2.82Å; S73-H75 PolarHBondContact OG-N 3.27Å; H75-A77 VanDerWaalsContact C-N 3.32Å; H75-M78 PolarHBondContact O-N 2.92Å; H75-E79 WeakPolarHBondContact O-CB 3.44Å; H75-E79 PolarHBondContact O-N 3.49Å; H75-W100 AromaticContact CE1-CZ3 3.65Å; H75-M107 HydrophobicContact CB-CE 4.06Å
76A98.6Very high98.6Very high14 Ų1414.5 Ų14.512%0.1169%0.085CC..Hα-helixtrans-66.1-36.7176.200000111.2I70 S73 G74 A80 L234I70-A76 HydrophobicContact CG2-CB 4.06Å; S73-A76 WeakPolarHBondContact O-CA 3.44Å; S73-A76 VanDerWaalsContact O-CB 3.25Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 3.26Å; G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.04Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.43Å; A76-L234 HydrophobicContact CB-CD2 4.34Å
77A98.8Very high98.6Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-72.7-36.5174.100000113.3I70 G74 H75 S81 Y196I70-A77 HydrophobicContact CD1-CB 3.87Å; G74-A77 PolarHBondContact O-N 3.37Å; H75-A77 VanDerWaalsContact C-N 3.32Å; A77-S81 WeakPolarHBondContact O-CB 3.34Å; A77-S81 PolarHBondContact O-N 3.01Å; A77-S81 PolarHBondContact O-OG 3.11Å; A77-Y196 HydrophobicContact CB-CD2 3.59Å; A77-Y196 HydrophobicContact CB-CE2 4.43Å; A77-Y196 HydrophobicContact CB-CG 3.75Å
78M98.9Very high98.5Very high3 Ų320.6 Ų20.62%0.01511%0.113CC..Hα-helixtrans-59-50.6170.8-172.2-175.4-74.500110.5G74 H75 S81 L82 W100 R103 A104 M107 F144 Y196G74-M78 PolarHBondContact O-N 3.48Å; G74-M78 VanDerWaalsContact O-N 3.1Å; H75-M78 PolarHBondContact O-N 2.92Å; M78-S81 WeakPolarHBondContact O-CB 3.36Å; M78-S81 PolarHBondContact O-N 2.93Å; M78-L82 HydrophobicContact CG-CD1 4.41Å; M78-L82 WeakPolarHBondContact O-CG 3.44Å; M78-L82 PolarHBondContact O-N 3.39Å; M78-W100 HydrophobicContact CE-CB 4.45Å; M78-R103 HydrophobicContact CE-CB 4.42Å; M78-R103 HydrophobicContact SD-CB 4.09Å; M78-A104 HydrophobicContact SD-CB 4.02Å; M78-M107 HydrophobicContact CB-CE 4.43Å; M78-M107 HydrophobicContact CB-SD 4.11Å; M78-M107 HydrophobicContact CG-CE 4.44Å; M78-M107 HydrophobicContact CG-SD 3.71Å; M78-M107 HydrophobicContact SD-CE 3.97Å; M78-M107 HydrophobicContact SD-SD 3.61Å; M78-M107 VanDerWaalsContact SD-SD 3.61Å; M78-F144 HydrophobicContact CE-CE2 4.2Å; M78-F144 HydrophobicContact CE-CZ 3.94Å; M78-F144 HydrophobicContact CG-CE2 4.45Å; M78-Y196 HydrophobicContact CB-CE1 4.44Å; M78-Y196 HydrophobicContact CB-CE2 4.16Å; M78-Y196 WeakPolarHBondContact CB-OH 3.46Å; M78-Y196 WeakPolarHBondContact CE-OH 3.49Å; M78-Y196 WeakPolarHBondContact CG-OH 3.29Å
79E98.8Very high98.5Very high88 Ų8824.6 Ų24.641%0.41114%0.135SC..Hα-helixtrans-64.7-44.9179.7-172.6174.5178.300112.1H75 S81 L82 V83 M107 L234H75-E79 WeakPolarHBondContact O-CB 3.44Å; H75-E79 PolarHBondContact O-N 3.49Å; E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 2.96Å; E79-L82 PolarHBondContact O-N 3.48Å; E79-V83 WeakPolarHBondContact O-CB 3.19Å; E79-V83 VanDerWaalsContact O-CG1 3.29Å; E79-V83 WeakPolarHBondContact O-CG1 3.37Å; E79-V83 PolarHBondContact O-N 2.92Å; E79-M107 HydrophobicContact CB-CE 4.49Å; E79-M107 HydrophobicContact CB-SD 4.11Å; E79-L234 HydrophobicContact CB-CD1 3.96Å; E79-L234 HydrophobicContact CG-CD1 3.73Å
80A98.9Very high98.5Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-58.4-42175.400000111.6I70 A76 N84 L234 L236I70-A80 HydrophobicContact CD1-CB 3.52Å; A76-A80 WeakPolarHBondContact O-CB 3.37Å; A76-A80 PolarHBondContact O-N 3.43Å; A80-N84 WeakPolarHBondContact O-CB 3.3Å; A80-N84 PolarHBondContact O-N 3.3Å; A80-N84 PolarHBondContact O-ND2 3.36Å; A80-L234 HydrophobicContact CB-CB 3.99Å; A80-L234 HydrophobicContact CB-CD2 4.39Å; A80-L236 HydrophobicContact CB-CD2 4.08Å; A80-L236 HydrophobicContact CB-CG 4.41Å
81S98.9Very high98.5Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-61.4-50.4176.5-590000110.9A77 M78 E79 L85 C194A77-S81 WeakPolarHBondContact O-CB 3.34Å; A77-S81 PolarHBondContact O-N 3.01Å; A77-S81 PolarHBondContact O-OG 3.11Å; M78-S81 WeakPolarHBondContact O-CB 3.36Å; M78-S81 PolarHBondContact O-N 2.93Å; E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 2.96Å; S81-L85 VanDerWaalsContact O-CB 3.25Å; S81-L85 WeakPolarHBondContact O-CB 3.41Å; S81-L85 WeakPolarHBondContact O-CG 3.4Å; S81-L85 PolarHBondContact O-N 3.29Å; S81-C194 PolarHBondContact OG-SG 2.87Å
82L98.8Very high98.6Very high0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-63.9-50.6-178.1-65175.4000111.5M78 E79 N84 L85 L86 L92 M107 M111 L173M78-L82 HydrophobicContact CG-CD1 4.41Å; M78-L82 WeakPolarHBondContact O-CG 3.44Å; M78-L82 PolarHBondContact O-N 3.39Å; E79-L82 PolarHBondContact O-N 3.48Å; L82-N84 PolarHBondContact O-N 2.94Å; L82-L85 PolarHBondContact O-N 3.29Å; L82-L86 HydrophobicContact CD2-CD1 3.89Å; L82-L86 PolarHBondContact O-N 3.11Å; L82-L86 VanDerWaalsContact O-N 3.07Å; L82-L92 HydrophobicContact CD2-CD1 4.04Å; L82-L92 HydrophobicContact CD2-CD2 3.96Å; L82-M107 HydrophobicContact CD1-CB 3.58Å; L82-M107 HydrophobicContact CD1-SD 4.21Å; L82-M111 VanDerWaalsContact C-CE 3.47Å; L82-M111 HydrophobicContact CB-CE 3.99Å; L82-M111 HydrophobicContact CB-SD 3.68Å; L82-M111 WeakPolarHBondContact O-CE 3.3Å; L82-L173 HydrophobicContact CD2-CD2 3.87Å; L82-L173 HydrophobicContact CG-CD2 4.5Å
83V98.4Very high98.6Very high5 Ų527 Ų273%0.0314%0.139CC..Hα-helixtrans-64.5-26.3-174.476.10000113.5E79 M111 R225 P229 S230 L234E79-V83 WeakPolarHBondContact O-CB 3.19Å; E79-V83 VanDerWaalsContact O-CG1 3.29Å; E79-V83 WeakPolarHBondContact O-CG1 3.37Å; E79-V83 PolarHBondContact O-N 2.92Å; V83-M111 VanDerWaalsContact CA-CE 3.47Å; V83-M111 HydrophobicContact CB-CE 4.2Å; V83-R225 PolarHBondContact O-NH1 3.19Å; V83-R225 PolarHBondContact O-NH2 3.08Å; V83-P229 HydrophobicContact CG1-CB 4.44Å; V83-P229 HydrophobicContact CG2-CB 4.11Å; V83-S230 WeakPolarHBondContact CG2-OG 3.42Å; V83-L234 HydrophobicContact CG1-CB 4.35Å
84N98.8Very high98.6Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-93-34.1178.6-73.4-94.7000113A80 L82 I222 R225 P229 L234 L236A80-N84 WeakPolarHBondContact O-CB 3.3Å; A80-N84 PolarHBondContact O-N 3.3Å; A80-N84 PolarHBondContact O-ND2 3.36Å; L82-N84 PolarHBondContact O-N 2.94Å; N84-I222 HydrophobicContact CB-CD1 3.9Å; N84-I222 HydrophobicContact CB-CG1 4Å; N84-R225 VanDerWaalsContact C-NH1 3.29Å; N84-R225 WeakPolarHBondContact O-CD 3.48Å; N84-R225 PolarHBondContact O-NH1 2.9Å; N84-P229 VanDerWaalsContact OD1-CG 3.31Å; N84-P229 WeakPolarHBondContact OD1-CG 3.48Å; N84-L234 PolarHBondContact ND2-O 3.05Å; N84-L236 HydrophobicContact CB-CB 4.38Å; N84-L236 HydrophobicContact CB-CD1 3.79Å; N84-L236 HydrophobicContact CB-CG 4.13Å; N84-L236 PolarHBondContact OD1-N 2.91Å
85L98.8Very high98.7Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-83.5-24.1-177.2-62.7175.5000113.5S81 L82 V142 L171 C194 L214 A218 R221 I222S81-L85 VanDerWaalsContact O-CB 3.25Å; S81-L85 WeakPolarHBondContact O-CB 3.41Å; S81-L85 WeakPolarHBondContact O-CG 3.4Å; S81-L85 PolarHBondContact O-N 3.29Å; L82-L85 PolarHBondContact O-N 3.29Å; L85-V142 HydrophobicContact CB-CG2 3.94Å; L85-L171 HydrophobicContact CD2-CD1 3.99Å; L85-C194 HydrophobicContact CD1-CB 3.84Å; L85-L214 HydrophobicContact CD2-CD2 4.41Å; L85-A218 HydrophobicContact CD2-CB 3.94Å; L85-R221 PolarHBondContact O-NE 3.3Å; L85-I222 HydrophobicContact CD2-CD1 4.19Å; L85-I222 HydrophobicContact CD2-CG1 4.2Å
86L98.7Very high98.7Very high2 Ų222.3 Ų22.31%0.0111%0.109CC..  trans-122137.7-173.3-68.4143.1000112.4L82 E90 L92 L113 R141 V142 R225L82-L86 HydrophobicContact CD2-CD1 3.89Å; L82-L86 PolarHBondContact O-N 3.11Å; L82-L86 VanDerWaalsContact O-N 3.07Å; L86-E90 WeakPolarHBondContact CA-OE2 3.38Å; L86-E90 HydrophobicContact CD2-CB 3.92Å; L86-L92 HydrophobicContact CD1-CB 4.29Å; L86-L92 HydrophobicContact CD1-CD1 3.95Å; L86-L113 HydrophobicContact CB-CD1 3.81Å; L86-L113 HydrophobicContact CB-CD2 3.76Å; L86-L113 HydrophobicContact CB-CG 4.47Å; L86-L113 HydrophobicContact CD1-CD1 3.59Å; L86-L113 HydrophobicContact CD2-CD1 4.47Å; L86-L113 HydrophobicContact CG-CD1 4.13Å; L86-R141 HydrophobicContact CD2-CB 3.9Å; L86-R141 HydrophobicContact CD2-CG 4.04Å; L86-V142 HydrophobicContact CD1-CB 3.92Å; L86-V142 HydrophobicContact CD1-CG1 4.43Å; L86-V142 HydrophobicContact CD1-CG2 3.82Å; L86-V142 HydrophobicContact CD2-CB 4.1Å; L86-V142 HydrophobicContact CD2-CG2 3.76Å; L86-V142 HydrophobicContact CG-CB 4.18Å; L86-V142 HydrophobicContact CG-CG2 3.63Å; L86-R225 VanDerWaalsContact O-CZ 3.31Å; L86-R225 PolarHBondContact O-NH1 3.08Å; L86-R225 PolarHBondContact O-NH2 3.41Å
87E98.5Very high98.6Very high21 Ų2121.9 Ų21.910%0.09810%0.104CC..  trans-97162.6170-73.1-179.6-10100110.9N89 E90 L113 R221 R225 K226 T227E87-N89 PolarHBondContact O-N 2.87Å; E87-E90 HydrophobicContact CB-CG 4.15Å; E87-E90 PolarHBondContact N-OE2 3.38Å; E87-E90 VanDerWaalsContact O-CB 3.29Å; E87-E90 WeakPolarHBondContact O-CB 3.47Å; E87-E90 PolarHBondContact O-N 3.21Å; E87-L113 WeakPolarHBondContact O-CD2 3.4Å; E87-R221 IonicContact OE1-CZ 2.89Å; E87-R221 IonicContact OE1-NH1 3.72Å; E87-R221 PolarHBondContact OE1-NH1 2.96Å; E87-R221 IonicContact OE1-NH2 3.77Å; E87-R221 PolarHBondContact OE1-NH2 2.99Å; E87-R225 HydrophobicContact CG-CB 4.48Å; E87-R225 HydrophobicContact CG-CG 4.41Å; E87-R225 VanDerWaalsContact CG-CZ 3.42Å; E87-R225 VanDerWaalsContact CG-NH2 3.31Å; E87-R225 WeakPolarHBondContact OE1-CA 3.5Å; E87-K226 PolarHBondContact OE1-N 3.02Å; E87-K226 WeakPolarHBondContact OE2-CA 3.33Å; E87-K226 WeakPolarHBondContact OE2-CB 3.47Å; E87-K226 PolarHBondContact OE2-N 3.07Å; E87-T227 PolarHBondContact OE2-N 3.49Å; E87-T227 PolarHBondContact OE2-OG1 3.09Å; E87-T227 VanDerWaalsContact OE2-OG1 3.11Å
88H97.9Very high98.6Very high126 Ų12622.5 Ų22.558%0.58311%0.111SC*.THydrogen-bonded Turntrans-51.8139178-175.368000111.6E90 G112H88-E90 PolarHBondContact O-N 2.89Å; H88-G112 PolarHBondContact ND1-O 2.87Å
89N98.1Very high98.5Very high84 Ų8423.1 Ų23.145%0.44911%0.114SC..THydrogen-bonded Turntrans62.92.3-173.4-64.7-51000116.9E87 G112 R114E87-N89 PolarHBondContact O-N 2.87Å; N89-G112 WeakPolarHBondContact CA-O 3.45Å; N89-G112 PolarHBondContact N-O 3.18Å; N89-R114 WeakPolarHBondContact O-CD 3.37Å; N89-R114 WeakPolarHBondContact O-CG 3.34Å
90E98.5Very high98.5Very high35 Ų3520.6 Ų20.616%0.16410%0.101CC..  trans-71.5157.9171.1-70.3-164.8125.800112L86 E87 H88 R114 R141 R221L86-E90 WeakPolarHBondContact CA-OE2 3.38Å; L86-E90 HydrophobicContact CD2-CB 3.92Å; E87-E90 HydrophobicContact CB-CG 4.15Å; E87-E90 PolarHBondContact N-OE2 3.38Å; E87-E90 VanDerWaalsContact O-CB 3.29Å; E87-E90 WeakPolarHBondContact O-CB 3.47Å; E87-E90 PolarHBondContact O-N 3.21Å; H88-E90 PolarHBondContact O-N 2.89Å; E90-R114 PolarHBondContact O-N 2.98Å; E90-R141 HydrophobicContact CB-CB 4.46Å; E90-R141 IonicContact OE1-CZ 3.18Å; E90-R141 IonicContact OE1-NE 2.75Å; E90-R141 PolarHBondContact OE1-NE 3.02Å; E90-R141 VanDerWaalsContact OE1-NE 3.14Å; E90-R141 IonicContact OE1-NH2 2.75Å; E90-R221 IonicContact OE1-CZ 3.87Å; E90-R221 IonicContact OE1-NH2 2.68Å; E90-R221 PolarHBondContact OE1-NH2 2.87Å; E90-R221 VanDerWaalsContact OE1-NH2 3.1Å; E90-R221 IonicContact OE2-CZ 3.85Å; E90-R221 IonicContact OE2-NH2 3.36Å; E90-R221 PolarHBondContact OE2-NH2 3.48Å
91K98.9Very high98.5Very high61 Ų6120.6 Ų20.627%0.26510%0.101SC..EExtended strand (participates in β ladder)trans-90.2124.9-172.1-57.5-175.7-165166.70111.3R114 Y138 E139 R141 V142K91-R114 WeakPolarHBondContact CA-O 3.49Å; K91-R114 HydrophobicContact CG-CB 4.29Å; K91-Y138 WeakPolarHBondContact CD-O 3.21Å; K91-Y138 PolarHBondContact NZ-O 2.79Å; K91-E139 WeakPolarHBondContact CD-O 3.28Å; K91-E139 IonicContact NZ-OE2 2.81Å; K91-E139 PolarHBondContact NZ-OE2 2.85Å; K91-R141 PolarHBondContact O-N 3.2Å; K91-V142 PolarHBondContact O-N 3.4Å
92L98.9Very high98.5Very high0 Ų025.1 Ų25.10%012%0.122CC..EExtended strand (participates in β ladder)trans-111.7123171.4173.865.6000108.5L82 L86 V94 L113 R114 V115 N116 V142 F144L82-L92 HydrophobicContact CD2-CD1 4.04Å; L82-L92 HydrophobicContact CD2-CD2 3.96Å; L86-L92 HydrophobicContact CD1-CB 4.29Å; L86-L92 HydrophobicContact CD1-CD1 3.95Å; L92-V94 HydrophobicContact CD1-CG2 4.42Å; L92-V94 HydrophobicContact CD2-CG2 3.84Å; L92-V94 HydrophobicContact CG-CG2 3.76Å; L92-L113 HydrophobicContact CB-CD1 4.19Å; L92-L113 HydrophobicContact CD2-CD1 4.22Å; L92-R114 PolarHBondContact N-O 2.93Å; L92-V115 HydrophobicContact CD2-CG2 4.33Å; L92-V115 WeakPolarHBondContact O-CA 3.36Å; L92-N116 PolarHBondContact O-N 2.9Å; L92-V142 HydrophobicContact CD1-CB 4.09Å; L92-V142 HydrophobicContact CD1-CG1 4.03Å; L92-F144 HydrophobicContact CD1-CB 4.23Å
93L98.9Very high98.5Very high0 Ų030.2 Ų30.20%014%0.141CC..EExtended strand (participates in β ladder)trans-99.2127.2169179.760.3000109.2M95 N116 I118 A134 I135 Y138 P140 V142 L143 F144L93-M95 HydrophobicContact CG-SD 4.48Å; L93-N116 CarbonylContact C-O 3.5Å; L93-N116 WeakPolarHBondContact CA-O 3.45Å; L93-N116 HydrophobicContact CD1-CB 4.06Å; L93-I118 HydrophobicContact CD1-CG1 4.14Å; L93-A134 HydrophobicContact CD1-CB 4.5Å; L93-A134 HydrophobicContact CD2-CB 3.75Å; L93-I135 HydrophobicContact CD2-CG1 4.15Å; L93-Y138 HydrophobicContact CD1-CD2 3.77Å; L93-Y138 HydrophobicContact CD1-CE2 4.36Å; L93-Y138 HydrophobicContact CD1-CG 4.39Å; L93-P140 HydrophobicContact CB-CB 3.5Å; L93-P140 HydrophobicContact CB-CG 3.58Å; L93-P140 HydrophobicContact CD2-CG 3.92Å; L93-P140 HydrophobicContact CG-CG 4.41Å; L93-V142 PolarHBondContact N-O 3.41Å; L93-L143 HydrophobicContact CB-CD1 4.12Å; L93-L143 HydrophobicContact CD2-CD1 3.86Å; L93-L143 HydrophobicContact CG-CD1 3.81Å; L93-L143 CarbonylContact O-C 3.57Å; L93-L143 WeakPolarHBondContact O-CA 3.47Å; L93-F144 PolarHBondContact O-N 3.01Å
94V98.9Very high98.5Very high0 Ų030 Ų300%014%0.14CC..EExtended strand (participates in β ladder)trans-116.6124.3-178.4-177.60000109.9L92 E96 G101 A104 A105 V115 N116 K117 I118 F144L92-V94 HydrophobicContact CD1-CG2 4.42Å; L92-V94 HydrophobicContact CD2-CG2 3.84Å; L92-V94 HydrophobicContact CG-CG2 3.76Å; V94-E96 HydrophobicContact CG1-CB 4.39Å; V94-E96 PolarHBondContact O-N 3.23Å; V94-G101 WeakPolarHBondContact CG1-O 3.39Å; V94-A104 HydrophobicContact CG1-CB 4.47Å; V94-A105 HydrophobicContact CG2-CB 4.26Å; V94-V115 HydrophobicContact CG2-CG1 4.06Å; V94-N116 PolarHBondContact N-O 3.16Å; V94-K117 HydrophobicContact CB-CG 4.47Å; V94-K117 WeakPolarHBondContact O-CA 3.32Å; V94-I118 PolarHBondContact O-N 2.97Å; V94-F144 HydrophobicContact CG1-CD1 3.94Å; V94-F144 HydrophobicContact CG2-CB 4.44Å
95M98.8Very high98.5Very high1 Ų130.2 Ų30.21%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-85.399.5168.5-54.9-49.1-58.600108.7L93 I118 F126 I131 L143 F144 V145L93-M95 HydrophobicContact CG-SD 4.48Å; M95-I118 HydrophobicContact CE-CB 3.63Å; M95-I118 HydrophobicContact CE-CG1 4.03Å; M95-I118 HydrophobicContact CE-CG2 3.92Å; M95-I118 HydrophobicContact SD-CB 4.08Å; M95-I118 HydrophobicContact SD-CG1 4.05Å; M95-F126 HydrophobicContact CB-CD2 3.7Å; M95-F126 HydrophobicContact CB-CE2 3.51Å; M95-F126 HydrophobicContact CB-CG 4.37Å; M95-F126 HydrophobicContact CB-CZ 4.03Å; M95-F126 HydrophobicContact CE-CB 3.75Å; M95-F126 HydrophobicContact CE-CD1 3.12Å; M95-F126 HydrophobicContact CE-CD2 3.77Å; M95-F126 HydrophobicContact CE-CE1 3.51Å; M95-F126 HydrophobicContact CE-CE2 4.12Å; M95-F126 HydrophobicContact CE-CG 3.24Å; M95-F126 HydrophobicContact CE-CZ 3.99Å; M95-F126 HydrophobicContact CG-CD2 4.47Å; M95-I131 HydrophobicContact CE-CG1 3.69Å; M95-I131 HydrophobicContact CG-CG1 4.4Å; M95-I131 HydrophobicContact SD-CG1 4.1Å; M95-L143 HydrophobicContact CG-CD1 3.74Å; M95-L143 HydrophobicContact SD-CD1 3.94Å; M95-F144 PolarHBondContact N-O 2.89Å; M95-V145 HydrophobicContact CG-CG2 4.01Å
96E98.5Very high98.5Very high29 Ų2933.9 Ų33.914%0.13616%0.158CC..EExtended strand (participates in β ladder)trans-10392.4-172.1-175-176.197.100111.8V94 E102 K117 I118 C119 R120V94-E96 HydrophobicContact CG1-CB 4.39Å; V94-E96 PolarHBondContact O-N 3.23Å; E96-E102 WeakPolarHBondContact OE2-CA 3.39Å; E96-K117 VanDerWaalsContact CD-NZ 3.3Å; E96-K117 IonicContact OE1-NZ 3.42Å; E96-K117 PolarHBondContact OE1-NZ 3.06Å; E96-K117 VanDerWaalsContact OE2-CD 3.25Å; E96-K117 WeakPolarHBondContact OE2-CD 3.46Å; E96-K117 WeakPolarHBondContact OE2-CE 3.45Å; E96-K117 IonicContact OE2-NZ 3.62Å; E96-K117 PolarHBondContact OE2-NZ 3Å; E96-I118 PolarHBondContact N-O 2.77Å; E96-C119 CarbonylContact O-C 3.49Å; E96-C119 VanDerWaalsContact O-CA 3.26Å; E96-C119 WeakPolarHBondContact O-CA 3.36Å; E96-C119 PolarHBondContact OE1-SG 3.14Å; E96-R120 PolarHBondContact O-N 2.87Å
97N97.8Very high98.5Very high4 Ų435.1 Ų35.12%0.02116%0.164CC..SBendtrans-111.314.9170.565.8-21.1000112.8R120 E124 F126N97-R120 HydrophobicContact CB-CB 3.98Å; N97-E124 WeakPolarHBondContact CB-O 3.45Å; N97-E124 PolarHBondContact ND2-O 2.83Å; N97-F126 HydrophobicContact CB-CE2 3.64Å; N97-F126 HydrophobicContact CB-CZ 3.95Å
98G97.7Very high98.5Very high14 Ų1434.1 Ų34.114%0.14416%0.16CC..SBendtrans177.7-169.4-177.500000113.8W100 G101 E102 E149G98-W100 VanDerWaalsContact C-N 3.26Å; G98-W100 PolarHBondContact O-N 3.19Å; G98-G101 PolarHBondContact O-N 2.74Å; G98-E102 PolarHBondContact O-N 3.32Å; G98-E149 WeakPolarHBondContact CA-OE2 3.41Å
99M97.7Very high98.5Very high15 Ų1532.9 Ų32.97%0.07416%0.157CC..Hα-helixtrans-59.5-32.4-174.7175.359.852.400113E102 R103 S151 L343M99-E102 WeakPolarHBondContact O-CB 3.27Å; M99-E102 PolarHBondContact O-N 2.97Å; M99-R103 HydrophobicContact CG-CG 4.34Å; M99-R103 VanDerWaalsContact O-CG 3.27Å; M99-R103 WeakPolarHBondContact O-CG 3.33Å; M99-R103 PolarHBondContact O-N 3.37Å; M99-R103 HydrophobicContact SD-CG 4.01Å; M99-S151 PolarHBondContact N-OG 2.91Å; M99-S151 VanDerWaalsContact N-OG 3.09Å; M99-L343 HydrophobicContact CB-CD2 4.22Å; M99-L343 HydrophobicContact CB-CG 4.31Å; M99-L343 HydrophobicContact CE-CD1 4.48Å; M99-L343 HydrophobicContact CE-CG 4.2Å; M99-L343 HydrophobicContact CG-CD2 3.89Å; M99-L343 HydrophobicContact CG-CG 4.08Å
100W98.5Very high98.5Very high36 Ų3638.1 Ų38.114%0.13617%0.171CC..Hα-helixtrans-77.8-33.3-172.7-53.9133.4000112.7H75 M78 G98 R103 A104 C146 E149 S150 L343H75-W100 AromaticContact CE1-CZ3 3.65Å; M78-W100 HydrophobicContact CE-CB 4.45Å; G98-W100 VanDerWaalsContact C-N 3.26Å; G98-W100 PolarHBondContact O-N 3.19Å; W100-R103 HydrophobicContact CE3-CG 4.28Å; W100-R103 PolarHBondContact O-N 3.09Å; W100-A104 WeakPolarHBondContact O-CB 3.38Å; W100-A104 PolarHBondContact O-N 3.43Å; W100-C146 HydrophobicContact CB-CB 4.27Å; W100-C146 VanDerWaalsContact CD1-SG 3.51Å; W100-E149 PolarHBondContact N-OE2 2.84Å; W100-S150 VanDerWaalsContact CE2-OG 3.29Å; W100-S150 WeakPolarHBondContact CZ2-OG 3.37Å; W100-S150 PolarHBondContact NE1-OG 3.21Å; W100-L343 HydrophobicContact CH2-CD2 4.24Å; W100-L343 HydrophobicContact CZ2-CD2 4.42Å
101G98.6Very high98.5Very high0 Ų038.6 Ų38.60%017%0.173CC..Hα-helixtrans-61.5-44.9166.100000111.9V94 G98 R103 A104 A105V94-G101 WeakPolarHBondContact CG1-O 3.39Å; G98-G101 PolarHBondContact O-N 2.74Å; G101-R103 VanDerWaalsContact C-N 3.3Å; G101-R103 PolarHBondContact O-N 3.36Å; G101-A104 PolarHBondContact O-N 2.89Å; G101-A105 WeakPolarHBondContact O-CB 3.29Å; G101-A105 PolarHBondContact O-N 2.95Å
102E98.2Very high98.4Very high94 Ų9436.8 Ų36.844%0.43917%0.172SC..Hα-helixtrans-57.6-43.6176.8-173.7-171.8129.600111.3E96 G98 M99 A105 E106E96-E102 WeakPolarHBondContact OE2-CA 3.39Å; G98-E102 PolarHBondContact O-N 3.32Å; M99-E102 WeakPolarHBondContact O-CB 3.27Å; M99-E102 PolarHBondContact O-N 2.97Å; E102-A105 PolarHBondContact O-N 3.35Å; E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.35Å
103R98.5Very high98.4Very high108 Ų10837.4 Ų37.441%0.40818%0.175SC..Hα-helixtrans-65.8-45.1177.4-68.7-69.5173.4179.9-0.7112.8M78 M99 W100 G101 A105 E106 M107M78-R103 HydrophobicContact CE-CB 4.42Å; M78-R103 HydrophobicContact SD-CB 4.09Å; M99-R103 HydrophobicContact CG-CG 4.34Å; M99-R103 VanDerWaalsContact O-CG 3.27Å; M99-R103 WeakPolarHBondContact O-CG 3.33Å; M99-R103 PolarHBondContact O-N 3.37Å; M99-R103 HydrophobicContact SD-CG 4.01Å; W100-R103 HydrophobicContact CE3-CG 4.28Å; W100-R103 PolarHBondContact O-N 3.09Å; G101-R103 VanDerWaalsContact C-N 3.3Å; G101-R103 PolarHBondContact O-N 3.36Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.16Å; R103-E106 PolarHBondContact O-N 2.92Å; R103-M107 WeakPolarHBondContact O-CG 3.14Å; R103-M107 PolarHBondContact O-N 3.17Å
104A98.8Very high98.4Very high0 Ų044.5 Ų44.50%020%0.202CC..Hα-helixtrans-61.6-41.3177.400000111.4M78 V94 W100 G101 G108 F144M78-A104 HydrophobicContact SD-CB 4.02Å; V94-A104 HydrophobicContact CG1-CB 4.47Å; W100-A104 WeakPolarHBondContact O-CB 3.38Å; W100-A104 PolarHBondContact O-N 3.43Å; G101-A104 PolarHBondContact O-N 2.89Å; A104-G108 PolarHBondContact O-N 3.43Å; A104-F144 HydrophobicContact CB-CD1 3.71Å; A104-F144 HydrophobicContact CB-CD2 3.83Å; A104-F144 HydrophobicContact CB-CE1 3.7Å; A104-F144 HydrophobicContact CB-CE2 3.82Å; A104-F144 HydrophobicContact CB-CG 3.78Å; A104-F144 HydrophobicContact CB-CZ 3.76Å
105A98.8Very high98.4Very high4 Ų445.8 Ų45.83%0.03321%0.21CC..Hα-helixtrans-63.2-47.1175.600000112.2V94 G101 E102 R103 G108 L109 V115 K117V94-A105 HydrophobicContact CG2-CB 4.26Å; G101-A105 WeakPolarHBondContact O-CB 3.29Å; G101-A105 PolarHBondContact O-N 2.95Å; E102-A105 PolarHBondContact O-N 3.35Å; R103-A105 VanDerWaalsContact C-N 3.3Å; R103-A105 PolarHBondContact O-N 3.16Å; A105-G108 PolarHBondContact O-N 3.24Å; A105-L109 WeakPolarHBondContact O-CG 3.33Å; A105-L109 PolarHBondContact O-N 3.08Å; A105-V115 HydrophobicContact CB-CG1 3.84Å; A105-K117 HydrophobicContact CB-CD 3.65Å; A105-K117 HydrophobicContact CB-CG 4.34Å
106E98.7Very high98.4Very high77 Ų7748.1 Ų48.136%0.3622%0.222SC..Hα-helixtrans-61.7-43.4177.8176.763.9-169.500112E102 R103 G108 L109 R110E102-E106 WeakPolarHBondContact O-CB 3.43Å; E102-E106 PolarHBondContact O-N 3.35Å; R103-E106 PolarHBondContact O-N 2.92Å; E106-G108 VanDerWaalsContact C-N 3.35Å; E106-L109 PolarHBondContact O-N 2.94Å; E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.94Å; E106-R110 IonicContact OE1-CZ 2.68Å; E106-R110 IonicContact OE1-NE 2.9Å; E106-R110 PolarHBondContact OE1-NE 3.48Å; E106-R110 IonicContact OE1-NH2 3.69Å; E106-R110 PolarHBondContact OE1-NH2 3.01Å
107M98.7Very high98.4Very high28 Ų2851.1 Ų51.114%0.13824%0.235CC..Hα-helixtrans-59.7-46.2173.5-73.3-178.6-178.300111.1H75 M78 E79 L82 R103 L109 R110 M111H75-M107 HydrophobicContact CB-CE 4.06Å; M78-M107 HydrophobicContact CB-CE 4.43Å; M78-M107 HydrophobicContact CB-SD 4.11Å; M78-M107 HydrophobicContact CG-CE 4.44Å; M78-M107 HydrophobicContact CG-SD 3.71Å; M78-M107 HydrophobicContact SD-CE 3.97Å; M78-M107 HydrophobicContact SD-SD 3.61Å; M78-M107 VanDerWaalsContact SD-SD 3.61Å; E79-M107 HydrophobicContact CB-CE 4.49Å; E79-M107 HydrophobicContact CB-SD 4.11Å; L82-M107 HydrophobicContact CD1-CB 3.58Å; L82-M107 HydrophobicContact CD1-SD 4.21Å; R103-M107 WeakPolarHBondContact O-CG 3.14Å; R103-M107 PolarHBondContact O-N 3.17Å; M107-L109 PolarHBondContact O-N 2.95Å; M107-R110 PolarHBondContact O-N 3.39Å; M107-M111 VanDerWaalsContact O-CG 3.3Å; M107-M111 WeakPolarHBondContact O-CG 3.46Å; M107-M111 PolarHBondContact O-N 2.82Å; M107-M111 VanDerWaalsContact O-N 3.1Å
108G98.7Very high98.5Very high0 Ų052.7 Ų52.70%024%0.243CC..Hα-helixtrans-60.1-43.1177.700000113.1A104 A105 E106 R110 M111 G112 L113A104-G108 PolarHBondContact O-N 3.43Å; A105-G108 PolarHBondContact O-N 3.24Å; E106-G108 VanDerWaalsContact C-N 3.35Å; G108-R110 PolarHBondContact O-N 3.12Å; G108-M111 PolarHBondContact O-N 2.96Å; G108-G112 PolarHBondContact O-N 3.37Å; G108-L113 VanDerWaalsContact O-CB 3.26Å; G108-L113 WeakPolarHBondContact O-CB 3.25Å; G108-L113 VanDerWaalsContact O-CG 3.3Å; G108-L113 WeakPolarHBondContact O-CG 3.34Å; G108-L113 PolarHBondContact O-N 3.18Å
109L98.6Very high98.5Very high100 Ų10055.6 Ų55.652%0.52426%0.26SS..Hα-helixtrans-62.1-43.2176.5-71.6171.7000111.8A105 E106 M107 M111 G112 V115A105-L109 WeakPolarHBondContact O-CG 3.33Å; A105-L109 PolarHBondContact O-N 3.08Å; E106-L109 PolarHBondContact O-N 2.94Å; M107-L109 PolarHBondContact O-N 2.95Å; L109-M111 PolarHBondContact O-N 3.38Å; L109-G112 PolarHBondContact O-N 2.95Å; L109-V115 HydrophobicContact CD2-CB 4.03Å; L109-V115 HydrophobicContact CD2-CG2 3.94Å; L109-V115 HydrophobicContact CG-CB 4.25Å; L109-V115 HydrophobicContact CG-CG2 3.94Å
110R98.4Very high98.5Very high195 Ų19559 Ų5974%0.73627%0.272SS*.Hα-helixtrans-62.8-29.3177.2-73.1174.1179.6-85.9-11.9113.4E106 M107 G108 G112E106-R110 WeakPolarHBondContact O-CG 3.25Å; E106-R110 PolarHBondContact O-N 2.94Å; E106-R110 IonicContact OE1-CZ 2.68Å; E106-R110 IonicContact OE1-NE 2.9Å; E106-R110 PolarHBondContact OE1-NE 3.48Å; E106-R110 IonicContact OE1-NH2 3.69Å; E106-R110 PolarHBondContact OE1-NH2 3.01Å; M107-R110 PolarHBondContact O-N 3.39Å; G108-R110 PolarHBondContact O-N 3.12Å; R110-G112 PolarHBondContact O-N 3.24Å
111M97.4Very high98.4Very high45 Ų4560.3 Ų60.322%0.22229%0.285CS..THydrogen-bonded Turntrans-80.8-3.5174.4-66.1167.448.200113.4L82 V83 M107 G108 L109 L113L82-M111 VanDerWaalsContact C-CE 3.47Å; L82-M111 HydrophobicContact CB-CE 3.99Å; L82-M111 HydrophobicContact CB-SD 3.68Å; L82-M111 WeakPolarHBondContact O-CE 3.3Å; V83-M111 VanDerWaalsContact CA-CE 3.47Å; V83-M111 HydrophobicContact CB-CE 4.2Å; M107-M111 VanDerWaalsContact O-CG 3.3Å; M107-M111 WeakPolarHBondContact O-CG 3.46Å; M107-M111 PolarHBondContact O-N 2.82Å; M107-M111 VanDerWaalsContact O-N 3.1Å; G108-M111 PolarHBondContact O-N 2.96Å; L109-M111 PolarHBondContact O-N 3.38Å; M111-L113 HydrophobicContact CB-CG 4.06Å; M111-L113 HydrophobicContact CE-CD1 4.02Å; M111-L113 HydrophobicContact CE-CD2 4.36Å; M111-L113 HydrophobicContact CE-CG 4.3Å
112G98.1Very high98.3Very high23 Ų2362.6 Ų62.624%0.23730%0.3CS..THydrogen-bonded Turntrans72.333.5-176.100000113.2H88 N89 G108 L109 R110H88-G112 PolarHBondContact ND1-O 2.87Å; N89-G112 WeakPolarHBondContact CA-O 3.45Å; N89-G112 PolarHBondContact N-O 3.18Å; G108-G112 PolarHBondContact O-N 3.37Å; L109-G112 PolarHBondContact O-N 2.95Å; R110-G112 PolarHBondContact O-N 3.24Å
113L98.7Very high98.2Very high12 Ų1258.6 Ų58.66%0.06328%0.284CS..  trans-82.1159.2172.3-54.4-174.5000111.4L86 E87 L92 G108 M111 V115L86-L113 HydrophobicContact CB-CD1 3.81Å; L86-L113 HydrophobicContact CB-CD2 3.76Å; L86-L113 HydrophobicContact CB-CG 4.47Å; L86-L113 HydrophobicContact CD1-CD1 3.59Å; L86-L113 HydrophobicContact CD2-CD1 4.47Å; L86-L113 HydrophobicContact CG-CD1 4.13Å; E87-L113 WeakPolarHBondContact O-CD2 3.4Å; L92-L113 HydrophobicContact CB-CD1 4.19Å; L92-L113 HydrophobicContact CD2-CD1 4.22Å; G108-L113 VanDerWaalsContact O-CB 3.26Å; G108-L113 WeakPolarHBondContact O-CB 3.25Å; G108-L113 VanDerWaalsContact O-CG 3.3Å; G108-L113 WeakPolarHBondContact O-CG 3.34Å; G108-L113 PolarHBondContact O-N 3.18Å; M111-L113 HydrophobicContact CB-CG 4.06Å; M111-L113 HydrophobicContact CE-CD1 4.02Å; M111-L113 HydrophobicContact CE-CD2 4.36Å; M111-L113 HydrophobicContact CE-CG 4.3Å; L113-V115 HydrophobicContact CB-CG2 4.13Å; L113-V115 PolarHBondContact O-N 3.02Å
114R98.8Very high98.2Very high150 Ų15057 Ų5757%0.56628%0.281SS*.EExtended strand (participates in β ladder)trans-8697.3166.8-67.3-178.9-179.8-169.61.4108.6N89 E90 K91 L92N89-R114 WeakPolarHBondContact O-CD 3.37Å; N89-R114 WeakPolarHBondContact O-CG 3.34Å; E90-R114 PolarHBondContact O-N 2.98Å; K91-R114 WeakPolarHBondContact CA-O 3.49Å; K91-R114 HydrophobicContact CG-CB 4.29Å; L92-R114 PolarHBondContact N-O 2.93Å
115V98.9Very high98.2Very high27 Ų2758.3 Ų58.316%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-93.4121.4-175.3-175.80000110.7L92 V94 A105 L109 L113 K117L92-V115 HydrophobicContact CD2-CG2 4.33Å; L92-V115 WeakPolarHBondContact O-CA 3.36Å; V94-V115 HydrophobicContact CG2-CG1 4.06Å; A105-V115 HydrophobicContact CB-CG1 3.84Å; L109-V115 HydrophobicContact CD2-CB 4.03Å; L109-V115 HydrophobicContact CD2-CG2 3.94Å; L109-V115 HydrophobicContact CG-CB 4.25Å; L109-V115 HydrophobicContact CG-CG2 3.94Å; L113-V115 HydrophobicContact CB-CG2 4.13Å; L113-V115 PolarHBondContact O-N 3.02Å; V115-K117 HydrophobicContact CG1-CG 4.17Å
116N98.8Very high98.2Very high49 Ų4958.3 Ų58.326%0.26229%0.288SS..EExtended strand (participates in β ladder)trans-111.4142.9168.8-65.9110.3000109.5L92 L93 V94 Y138L92-N116 PolarHBondContact O-N 2.9Å; L93-N116 CarbonylContact C-O 3.5Å; L93-N116 WeakPolarHBondContact CA-O 3.45Å; L93-N116 HydrophobicContact CD1-CB 4.06Å; V94-N116 PolarHBondContact N-O 3.16Å; N116-Y138 HydrophobicContact CB-CD1 3.65Å; N116-Y138 HydrophobicContact CB-CD2 4.22Å; N116-Y138 HydrophobicContact CB-CE1 3.93Å; N116-Y138 HydrophobicContact CB-CE2 4.47Å; N116-Y138 HydrophobicContact CB-CG 3.81Å; N116-Y138 WeakPolarHBondContact ND2-CD1 3.29Å; N116-Y138 WeakPolarHBondContact ND2-CE1 3.47Å; N116-Y138 WeakPolarHBondContact OD1-CD1 3.48Å
117K98.7Very high98.2Very high92 Ų9258.2 Ų58.240%0.429%0.293SS..EExtended strand (participates in β ladder)trans-128.2135.1-176.1-48.5-167.4-56.4164.10110.3V94 E96 A105 V115V94-K117 HydrophobicContact CB-CG 4.47Å; V94-K117 WeakPolarHBondContact O-CA 3.32Å; E96-K117 VanDerWaalsContact CD-NZ 3.3Å; E96-K117 IonicContact OE1-NZ 3.42Å; E96-K117 PolarHBondContact OE1-NZ 3.06Å; E96-K117 VanDerWaalsContact OE2-CD 3.25Å; E96-K117 WeakPolarHBondContact OE2-CD 3.46Å; E96-K117 WeakPolarHBondContact OE2-CE 3.45Å; E96-K117 IonicContact OE2-NZ 3.62Å; E96-K117 PolarHBondContact OE2-NZ 3Å; A105-K117 HydrophobicContact CB-CD 3.65Å; A105-K117 HydrophobicContact CB-CG 4.34Å; V115-K117 HydrophobicContact CG1-CG 4.17Å
118I98.6Very high98.2Very high37 Ų3761.8 Ų61.819%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-104.3120.5160.8-51.8-55.3000106.5L93 V94 M95 E96 F126 A134 Y138L93-I118 HydrophobicContact CD1-CG1 4.14Å; V94-I118 PolarHBondContact O-N 2.97Å; M95-I118 HydrophobicContact CE-CB 3.63Å; M95-I118 HydrophobicContact CE-CG1 4.03Å; M95-I118 HydrophobicContact CE-CG2 3.92Å; M95-I118 HydrophobicContact SD-CB 4.08Å; M95-I118 HydrophobicContact SD-CG1 4.05Å; E96-I118 PolarHBondContact N-O 2.77Å; I118-F126 HydrophobicContact CB-CE1 4.14Å; I118-F126 HydrophobicContact CG2-CD1 4.04Å; I118-F126 HydrophobicContact CG2-CE1 3.74Å; I118-F126 WeakPolarHBondContact O-CE1 3.22Å; I118-F126 VanDerWaalsContact O-CZ 3.26Å; I118-F126 WeakPolarHBondContact O-CZ 3.31Å; I118-A134 HydrophobicContact CD1-CB 3.79Å; I118-A134 HydrophobicContact CG1-CB 3.62Å; I118-Y138 HydrophobicContact CD1-CE2 3.71Å
119C98.3Very high98.2Very high75 Ų7565.4 Ų65.451%0.50732%0.322SS..EExtended strand (participates in β ladder)trans-103.7139.8-174.6-61.40000111.1E96E96-C119 CarbonylContact O-C 3.49Å; E96-C119 VanDerWaalsContact O-CA 3.26Å; E96-C119 WeakPolarHBondContact O-CA 3.36Å; E96-C119 PolarHBondContact OE1-SG 3.14Å
120R97.1Very high98.2Very high87 Ų8762.6 Ų62.633%0.32831%0.307SS..  trans-129.3151.6171.2-84-75.5-174165.80.6111E96 N97 E124 F126 E130E96-R120 PolarHBondContact O-N 2.87Å; N97-R120 HydrophobicContact CB-CB 3.98Å; R120-E124 HydrophobicContact CB-CB 4.32Å; R120-E124 WeakPolarHBondContact CD-OE2 3.38Å; R120-E124 IonicContact CZ-OE2 2.85Å; R120-E124 IonicContact NH1-OE2 3.37Å; R120-E124 PolarHBondContact NH1-OE2 2.93Å; R120-F126 HydrophobicContact CB-CD1 4.38Å; R120-F126 HydrophobicContact CB-CE1 3.73Å; R120-F126 HydrophobicContact CB-CZ 3.83Å; R120-F126 HydrophobicContact CG-CD1 3.51Å; R120-F126 HydrophobicContact CG-CE1 3.22Å; R120-F126 HydrophobicContact CG-CG 4.35Å; R120-F126 HydrophobicContact CG-CZ 3.86Å; R120-E130 IonicContact CZ-OE1 2.75Å; R120-E130 VanDerWaalsContact CZ-OE1 3.23Å; R120-E130 IonicContact NE-OE1 3.17Å; R120-E130 PolarHBondContact NE-OE1 3.02Å; R120-E130 VanDerWaalsContact NH2-CD 3.28Å; R120-E130 IonicContact NH2-OE1 3.1Å; R120-E130 PolarHBondContact NH2-OE1 2.92Å; R120-E130 IonicContact NH2-OE2 2.7Å; R120-E130 PolarHBondContact NH2-OE2 3.42Å
121P96.8Very high98.2Very high64 Ų6453.3 Ų53.342%0.41627%0.272SS..  trans-57.5151.6173.6-24.935000112.9G123 E124P121-G123 PolarHBondContact O-N 3.34Å; P121-E124 HydrophobicContact CB-CG 4.4Å; P121-E124 WeakPolarHBondContact CD-OE2 3.42Å; P121-E124 WeakPolarHBondContact CG-OE1 3.09Å; P121-E124 WeakPolarHBondContact O-CB 3.41Å; P121-E124 PolarHBondContact O-N 3.2Å; P121-E124 VanDerWaalsContact O-N 3.12Å
122P96.3Very high98.2Very high47 Ų4756 Ų5631%0.30528%0.279SS..THydrogen-bonded Turntrans-57.3127.5177.1-26.635.6000112.9T152 L302 A345 T346P122-T152 HydrophobicContact CB-CG2 3.74Å; P122-L302 HydrophobicContact CB-CD2 4.37Å; P122-A345 HydrophobicContact CG-CB 3.67Å; P122-T346 HydrophobicContact CB-CG2 3.57Å; P122-T346 HydrophobicContact CG-CG2 4.13Å
123G97.2Very high98.3Very high10 Ų1059.5 Ų59.510%0.10329%0.29CS..THydrogen-bonded Turntrans93.7-6.5179.900000114.2P121P121-G123 PolarHBondContact O-N 3.34Å
124E98.1Very high98.3Very high76 Ų7659.1 Ų59.136%0.35529%0.288SS..  trans-90.8160.4167.8-65.5-176.8-154.400111.3N97 R120 P121N97-E124 WeakPolarHBondContact CB-O 3.45Å; N97-E124 PolarHBondContact ND2-O 2.83Å; R120-E124 HydrophobicContact CB-CB 4.32Å; R120-E124 WeakPolarHBondContact CD-OE2 3.38Å; R120-E124 IonicContact CZ-OE2 2.85Å; R120-E124 IonicContact NH1-OE2 3.37Å; R120-E124 PolarHBondContact NH1-OE2 2.93Å; P121-E124 HydrophobicContact CB-CG 4.4Å; P121-E124 WeakPolarHBondContact CD-OE2 3.42Å; P121-E124 WeakPolarHBondContact CG-OE1 3.09Å; P121-E124 WeakPolarHBondContact O-CB 3.41Å; P121-E124 PolarHBondContact O-N 3.2Å; P121-E124 VanDerWaalsContact O-N 3.12Å
125V98.5Very high98.3Very high27 Ų2752 Ų5216%0.16426%0.261CS..  trans-121.9167.6175.1-62.60000109.7A154 I308V125-A154 HydrophobicContact CG1-CB 4Å; V125-I308 HydrophobicContact CG1-CB 4.3Å; V125-I308 HydrophobicContact CG1-CD1 4.1Å; V125-I308 HydrophobicContact CG2-CD1 3.94Å; V125-I308 HydrophobicContact CG2-CG2 4.03Å
126F98.7Very high98.2Very high4 Ų452.7 Ų52.72%0.01827%0.274CS..  trans-92.9139176.3-55.7-84.3000110.4M95 N97 I118 R120 I131 Q156M95-F126 HydrophobicContact CB-CD2 3.7Å; M95-F126 HydrophobicContact CB-CE2 3.51Å; M95-F126 HydrophobicContact CB-CG 4.37Å; M95-F126 HydrophobicContact CB-CZ 4.03Å; M95-F126 HydrophobicContact CE-CB 3.75Å; M95-F126 HydrophobicContact CE-CD1 3.12Å; M95-F126 HydrophobicContact CE-CD2 3.77Å; M95-F126 HydrophobicContact CE-CE1 3.51Å; M95-F126 HydrophobicContact CE-CE2 4.12Å; M95-F126 HydrophobicContact CE-CG 3.24Å; M95-F126 HydrophobicContact CE-CZ 3.99Å; M95-F126 HydrophobicContact CG-CD2 4.47Å; N97-F126 HydrophobicContact CB-CE2 3.64Å; N97-F126 HydrophobicContact CB-CZ 3.95Å; I118-F126 HydrophobicContact CB-CE1 4.14Å; I118-F126 HydrophobicContact CG2-CD1 4.04Å; I118-F126 HydrophobicContact CG2-CE1 3.74Å; I118-F126 WeakPolarHBondContact O-CE1 3.22Å; I118-F126 VanDerWaalsContact O-CZ 3.26Å; I118-F126 WeakPolarHBondContact O-CZ 3.31Å; R120-F126 HydrophobicContact CB-CD1 4.38Å; R120-F126 HydrophobicContact CB-CE1 3.73Å; R120-F126 HydrophobicContact CB-CZ 3.83Å; R120-F126 HydrophobicContact CG-CD1 3.51Å; R120-F126 HydrophobicContact CG-CE1 3.22Å; R120-F126 HydrophobicContact CG-CG 4.35Å; R120-F126 HydrophobicContact CG-CZ 3.86Å; F126-I131 HydrophobicContact CB-CD1 4.02Å; F126-I131 HydrophobicContact CB-CG1 4.02Å; F126-Q156 PolarHBondContact O-NE2 3.06Å
127T98.4Very high98.2Very high75 Ų7556 Ų5646%0.4629%0.291SS..  trans-76.8156.2170.863.80000110.8E129 E130 I131T127-E129 PolarHBondContact O-N 2.7Å; T127-E130 WeakPolarHBondContact CB-OE2 3.33Å; T127-E130 PolarHBondContact N-OE2 3.44Å; T127-E130 PolarHBondContact O-N 3.01Å; T127-E130 VanDerWaalsContact OG1-CG 3.25Å; T127-E130 WeakPolarHBondContact OG1-CG 3.49Å; T127-E130 PolarHBondContact OG1-N 3.01Å; T127-E130 PolarHBondContact OG1-OE2 2.85Å; T127-I131 PolarHBondContact O-N 2.87Å
128Y98.7Very high98.2Very high103 Ų10355.1 Ų55.140%0.40429%0.285SS..Hα-helixtrans-52.6-43.5173175.6-88.5000111.9E130 I131 R132 L161 L164Y128-E130 PolarHBondContact O-N 3.46Å; Y128-I131 PolarHBondContact O-N 3.45Å; Y128-R132 HydrophobicContact CE1-CB 4.33Å; Y128-R132 WeakPolarHBondContact O-CB 3.47Å; Y128-R132 PolarHBondContact O-N 3.1Å; Y128-L161 HydrophobicContact CD2-CD2 3.94Å; Y128-L161 HydrophobicContact CE2-CD2 4.41Å; Y128-L164 HydrophobicContact CE2-CB 4.19Å; Y128-L164 HydrophobicContact CE2-CD2 3.93Å
129E98.5Very high98.2Very high75 Ų7559.7 Ų59.735%0.3531%0.306SS..Hα-helixtrans-67.2-37.9-176.5-178.655.4-155.400112.6T127 R132 Q133T127-E129 PolarHBondContact O-N 2.7Å; E129-R132 PolarHBondContact O-N 2.84Å; E129-R132 IonicContact OE1-CZ 3.74Å; E129-R132 IonicContact OE1-NE 3.95Å; E129-R132 PolarHBondContact OE1-NE 2.92Å; E129-R132 IonicContact OE1-NH2 3.06Å; E129-R132 PolarHBondContact OE1-NH2 2.92Å; E129-R132 IonicContact OE2-CZ 3.14Å; E129-R132 IonicContact OE2-NE 3.38Å; E129-R132 PolarHBondContact OE2-NE 3.39Å; E129-R132 IonicContact OE2-NH2 2.74Å; E129-Q133 WeakPolarHBondContact O-CB 3.42Å; E129-Q133 VanDerWaalsContact O-CG 3.29Å; E129-Q133 WeakPolarHBondContact O-CG 3.49Å; E129-Q133 PolarHBondContact O-N 3.35Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.38Å; E129-Q133 PolarHBondContact OE1-NE2 3.27Å
130E98.3Very high98.2Very high41 Ų4156.3 Ų56.319%0.19228%0.283CS..Hα-helixtrans-62.5-43.8173.4-74.5169111.700111.9R120 T127 Y128 Q133 A134R120-E130 IonicContact CZ-OE1 2.75Å; R120-E130 VanDerWaalsContact CZ-OE1 3.23Å; R120-E130 IonicContact NE-OE1 3.17Å; R120-E130 PolarHBondContact NE-OE1 3.02Å; R120-E130 VanDerWaalsContact NH2-CD 3.28Å; R120-E130 IonicContact NH2-OE1 3.1Å; R120-E130 PolarHBondContact NH2-OE1 2.92Å; R120-E130 IonicContact NH2-OE2 2.7Å; R120-E130 PolarHBondContact NH2-OE2 3.42Å; T127-E130 WeakPolarHBondContact CB-OE2 3.33Å; T127-E130 PolarHBondContact N-OE2 3.44Å; T127-E130 PolarHBondContact O-N 3.01Å; T127-E130 VanDerWaalsContact OG1-CG 3.25Å; T127-E130 WeakPolarHBondContact OG1-CG 3.49Å; T127-E130 PolarHBondContact OG1-N 3.01Å; T127-E130 PolarHBondContact OG1-OE2 2.85Å; Y128-E130 PolarHBondContact O-N 3.46Å; E130-Q133 PolarHBondContact O-N 2.91Å; E130-A134 WeakPolarHBondContact O-CB 3.19Å; E130-A134 PolarHBondContact O-N 2.81Å
131I98.8Very high98.3Very high0 Ų055.9 Ų55.90%028%0.281CS..Hα-helixtrans-64.3-44.2177.3-64.2168.4000109.8M95 F126 T127 Y128 Q133 A134 I135 L143 L161 L164M95-I131 HydrophobicContact CE-CG1 3.69Å; M95-I131 HydrophobicContact CG-CG1 4.4Å; M95-I131 HydrophobicContact SD-CG1 4.1Å; F126-I131 HydrophobicContact CB-CD1 4.02Å; F126-I131 HydrophobicContact CB-CG1 4.02Å; T127-I131 PolarHBondContact O-N 2.87Å; Y128-I131 PolarHBondContact O-N 3.45Å; I131-Q133 PolarHBondContact O-N 2.88Å; I131-A134 PolarHBondContact O-N 3.12Å; I131-I135 HydrophobicContact CG2-CD1 3.86Å; I131-I135 HydrophobicContact CG2-CG1 4.32Å; I131-I135 WeakPolarHBondContact O-CG1 3.43Å; I131-I135 PolarHBondContact O-N 3.42Å; I131-L143 HydrophobicContact CG2-CD2 3.63Å; I131-L161 HydrophobicContact CB-CD2 4.23Å; I131-L161 HydrophobicContact CD1-CD1 3.79Å; I131-L161 HydrophobicContact CD1-CD2 3.78Å; I131-L161 HydrophobicContact CD1-CG 4.46Å; I131-L161 HydrophobicContact CG2-CD2 3.97Å; I131-L164 HydrophobicContact CG2-CD2 4.25Å
132R98.7Very high98.4Very high101 Ų10152.9 Ų52.938%0.38126%0.262SS..Hα-helixtrans-57.1-48.2176.7-169.3-167.473.173.50.6112.2Y128 E129 G136 L164Y128-R132 HydrophobicContact CE1-CB 4.33Å; Y128-R132 WeakPolarHBondContact O-CB 3.47Å; Y128-R132 PolarHBondContact O-N 3.1Å; E129-R132 PolarHBondContact O-N 2.84Å; E129-R132 IonicContact OE1-CZ 3.74Å; E129-R132 IonicContact OE1-NE 3.95Å; E129-R132 PolarHBondContact OE1-NE 2.92Å; E129-R132 IonicContact OE1-NH2 3.06Å; E129-R132 PolarHBondContact OE1-NH2 2.92Å; E129-R132 IonicContact OE2-CZ 3.14Å; E129-R132 IonicContact OE2-NE 3.38Å; E129-R132 PolarHBondContact OE2-NE 3.39Å; E129-R132 IonicContact OE2-NH2 2.74Å; R132-G136 PolarHBondContact O-N 3.11Å; R132-G136 VanDerWaalsContact O-N 3.13Å; R132-L164 HydrophobicContact CB-CD1 4.26Å; R132-L164 HydrophobicContact CB-CD2 3.93Å; R132-L164 HydrophobicContact CG-CD1 3.74Å; R132-L164 HydrophobicContact CG-CD2 4.33Å
133Q98.6Very high98.5Very high98 Ų9850.6 Ų50.646%0.45825%0.247SC..Hα-helixtrans-63.2-44.3177.4-71.5175.410.300111.5E129 E130 I131 G136 I137E129-Q133 WeakPolarHBondContact O-CB 3.42Å; E129-Q133 VanDerWaalsContact O-CG 3.29Å; E129-Q133 WeakPolarHBondContact O-CG 3.49Å; E129-Q133 PolarHBondContact O-N 3.35Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.38Å; E129-Q133 PolarHBondContact OE1-NE2 3.27Å; E130-Q133 PolarHBondContact O-N 2.91Å; I131-Q133 PolarHBondContact O-N 2.88Å; Q133-G136 PolarHBondContact O-N 3Å; Q133-I137 VanDerWaalsContact O-CG1 3.31Å; Q133-I137 WeakPolarHBondContact O-CG1 3.47Å; Q133-I137 PolarHBondContact O-N 2.75Å
134A98.7Very high98.6Very high3 Ų350.1 Ų50.13%0.02524%0.242CC..Hα-helixtrans-63.5-42.5179.500000112.5L93 I118 E130 I131 G136 I137 Y138L93-A134 HydrophobicContact CD1-CB 4.5Å; L93-A134 HydrophobicContact CD2-CB 3.75Å; I118-A134 HydrophobicContact CD1-CB 3.79Å; I118-A134 HydrophobicContact CG1-CB 3.62Å; E130-A134 WeakPolarHBondContact O-CB 3.19Å; E130-A134 PolarHBondContact O-N 2.81Å; I131-A134 PolarHBondContact O-N 3.12Å; A134-G136 VanDerWaalsContact C-N 3.33Å; A134-G136 PolarHBondContact O-N 2.79Å; A134-I137 PolarHBondContact O-N 3.5Å; A134-Y138 HydrophobicContact CB-CD2 4.3Å; A134-Y138 WeakPolarHBondContact O-CD2 3.32Å; A134-Y138 PolarHBondContact O-N 3Å
135I98.8Very high98.6Very high0 Ų046.6 Ų46.60%023%0.225CC..Hα-helixtrans-59.5-45.1174.4-70170.9000110.5L93 I131 I137 E139 P140 L143 L164 H168L93-I135 HydrophobicContact CD2-CG1 4.15Å; I131-I135 HydrophobicContact CG2-CD1 3.86Å; I131-I135 HydrophobicContact CG2-CG1 4.32Å; I131-I135 WeakPolarHBondContact O-CG1 3.43Å; I131-I135 PolarHBondContact O-N 3.42Å; I135-I137 VanDerWaalsContact C-N 3.33Å; I135-I137 PolarHBondContact O-N 2.97Å; I135-E139 VanDerWaalsContact O-CA 3.25Å; I135-E139 WeakPolarHBondContact O-CA 3.37Å; I135-E139 PolarHBondContact O-N 3.31Å; I135-P140 HydrophobicContact CG1-CG 4.44Å; I135-P140 WeakPolarHBondContact O-CD 3.42Å; I135-L143 HydrophobicContact CD1-CD2 4.11Å; I135-L164 HydrophobicContact CD1-CD2 3.85Å; I135-L164 HydrophobicContact CD1-CG 3.81Å; I135-H168 HydrophobicContact CG2-CB 3.62Å
136G98Very high98.7Very high42 Ų4245.4 Ų45.443%0.43322%0.218SC..Hα-helixtrans-64.9-33.117900000114R132 Q133 A134R132-G136 PolarHBondContact O-N 3.11Å; R132-G136 VanDerWaalsContact O-N 3.13Å; Q133-G136 PolarHBondContact O-N 3Å; A134-G136 VanDerWaalsContact C-N 3.33Å; A134-G136 PolarHBondContact O-N 2.79Å
137I98.4Very high98.7Very high120 Ų12045.6 Ų45.662%0.61522%0.219SC*.Hα-helixtrans-78.3-47.2179.5-69.6165.4000111.6Q133 A134 I135Q133-I137 VanDerWaalsContact O-CG1 3.31Å; Q133-I137 WeakPolarHBondContact O-CG1 3.47Å; Q133-I137 PolarHBondContact O-N 2.75Å; A134-I137 PolarHBondContact O-N 3.5Å; I135-I137 VanDerWaalsContact C-N 3.33Å; I135-I137 PolarHBondContact O-N 2.97Å
138Y98.6Very high98.7Very high72 Ų7242 Ų4228%0.28220%0.197SC..Hα-helixtrans-91.6-22.5-171.2-64.2-65.6000112.9K91 L93 N116 I118 A134K91-Y138 WeakPolarHBondContact CD-O 3.21Å; K91-Y138 PolarHBondContact NZ-O 2.79Å; L93-Y138 HydrophobicContact CD1-CD2 3.77Å; L93-Y138 HydrophobicContact CD1-CE2 4.36Å; L93-Y138 HydrophobicContact CD1-CG 4.39Å; N116-Y138 HydrophobicContact CB-CD1 3.65Å; N116-Y138 HydrophobicContact CB-CD2 4.22Å; N116-Y138 HydrophobicContact CB-CE1 3.93Å; N116-Y138 HydrophobicContact CB-CE2 4.47Å; N116-Y138 HydrophobicContact CB-CG 3.81Å; N116-Y138 WeakPolarHBondContact ND2-CD1 3.29Å; N116-Y138 WeakPolarHBondContact ND2-CE1 3.47Å; N116-Y138 WeakPolarHBondContact OD1-CD1 3.48Å; I118-Y138 HydrophobicContact CD1-CE2 3.71Å; A134-Y138 HydrophobicContact CB-CD2 4.3Å; A134-Y138 WeakPolarHBondContact O-CD2 3.32Å; A134-Y138 PolarHBondContact O-N 3Å
139E98.5Very high98.7Very high134 Ų13437.1 Ų37.163%0.62618%0.178SC*.  trans4757.3-175.2-52.5171.7132.100111.8K91 I135K91-E139 WeakPolarHBondContact CD-O 3.28Å; K91-E139 IonicContact NZ-OE2 2.81Å; K91-E139 PolarHBondContact NZ-OE2 2.85Å; I135-E139 VanDerWaalsContact O-CA 3.25Å; I135-E139 WeakPolarHBondContact O-CA 3.37Å; I135-E139 PolarHBondContact O-N 3.31Å
140P98.8Very high98.6Very high4 Ų433.6 Ų33.63%0.02616%0.162CC..  trans-72.2148.9-173.531.5-36.5000112.3L93 I135 C170L93-P140 HydrophobicContact CB-CB 3.5Å; L93-P140 HydrophobicContact CB-CG 3.58Å; L93-P140 HydrophobicContact CD2-CG 3.92Å; L93-P140 HydrophobicContact CG-CG 4.41Å; I135-P140 HydrophobicContact CG1-CG 4.44Å; I135-P140 WeakPolarHBondContact O-CD 3.42Å; P140-C170 WeakPolarHBondContact O-CB 3.42Å; P140-C170 PolarHBondContact O-SG 2.72Å
141R98.7Very high98.6Very high78 Ų7831.7 Ų31.729%0.29415%0.153SC..SBendtrans-72-36.7169.4176.761.977.8-161.45.5111.1L86 E90 K91 D169 L171L86-R141 HydrophobicContact CD2-CB 3.9Å; L86-R141 HydrophobicContact CD2-CG 4.04Å; E90-R141 HydrophobicContact CB-CB 4.46Å; E90-R141 IonicContact OE1-CZ 3.18Å; E90-R141 IonicContact OE1-NE 2.75Å; E90-R141 PolarHBondContact OE1-NE 3.02Å; E90-R141 VanDerWaalsContact OE1-NE 3.14Å; E90-R141 IonicContact OE1-NH2 2.75Å; K91-R141 PolarHBondContact O-N 3.2Å; R141-D169 IonicContact CZ-OD2 3.05Å; R141-D169 IonicContact NH1-OD2 3.78Å; R141-D169 PolarHBondContact NH1-OD2 3.27Å; R141-L171 PolarHBondContact O-N 3.33Å
142V98.9Very high98.6Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-132.9133.7177.4177.10000109.6L85 L86 K91 L92 L93 L171 L173L85-V142 HydrophobicContact CB-CG2 3.94Å; L86-V142 HydrophobicContact CD1-CB 3.92Å; L86-V142 HydrophobicContact CD1-CG1 4.43Å; L86-V142 HydrophobicContact CD1-CG2 3.82Å; L86-V142 HydrophobicContact CD2-CB 4.1Å; L86-V142 HydrophobicContact CD2-CG2 3.76Å; L86-V142 HydrophobicContact CG-CB 4.18Å; L86-V142 HydrophobicContact CG-CG2 3.63Å; K91-V142 PolarHBondContact O-N 3.4Å; L92-V142 HydrophobicContact CD1-CB 4.09Å; L92-V142 HydrophobicContact CD1-CG1 4.03Å; L93-V142 PolarHBondContact N-O 3.41Å; V142-L171 WeakPolarHBondContact CA-O 3.36Å; V142-L171 HydrophobicContact CG2-CB 4.3Å; V142-L173 HydrophobicContact CG1-CB 3.73Å; V142-L173 HydrophobicContact CG1-CD2 4.25Å
143L99Very high98.6Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-97.9124.2164.917466.1000108.8L93 M95 I131 I135 V145 C170 L171 L172 L173L93-L143 HydrophobicContact CB-CD1 4.12Å; L93-L143 HydrophobicContact CD2-CD1 3.86Å; L93-L143 HydrophobicContact CG-CD1 3.81Å; L93-L143 CarbonylContact O-C 3.57Å; L93-L143 WeakPolarHBondContact O-CA 3.47Å; M95-L143 HydrophobicContact CG-CD1 3.74Å; M95-L143 HydrophobicContact SD-CD1 3.94Å; I131-L143 HydrophobicContact CG2-CD2 3.63Å; I135-L143 HydrophobicContact CD1-CD2 4.11Å; L143-V145 HydrophobicContact CD1-CG2 4.37Å; L143-V145 HydrophobicContact CD2-CG2 3.92Å; L143-V145 HydrophobicContact CG-CG2 3.86Å; L143-C170 PolarHBondContact N-SG 3.04Å; L143-C170 VanDerWaalsContact N-SG 3.45Å; L143-L171 PolarHBondContact N-O 2.96Å; L143-L172 HydrophobicContact CD2-CD1 3.97Å; L143-L172 HydrophobicContact CG-CD1 4.29Å; L143-L173 PolarHBondContact O-N 3.42Å
144F99Very high98.6Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-98.6129170.4176.4-86.8000111M78 L92 L93 V94 M95 A104 C146 L173 D175 Y196M78-F144 HydrophobicContact CE-CE2 4.2Å; M78-F144 HydrophobicContact CE-CZ 3.94Å; M78-F144 HydrophobicContact CG-CE2 4.45Å; L92-F144 HydrophobicContact CD1-CB 4.23Å; L93-F144 PolarHBondContact O-N 3.01Å; V94-F144 HydrophobicContact CG1-CD1 3.94Å; V94-F144 HydrophobicContact CG2-CB 4.44Å; M95-F144 PolarHBondContact N-O 2.89Å; A104-F144 HydrophobicContact CB-CD1 3.71Å; A104-F144 HydrophobicContact CB-CD2 3.83Å; A104-F144 HydrophobicContact CB-CE1 3.7Å; A104-F144 HydrophobicContact CB-CE2 3.82Å; A104-F144 HydrophobicContact CB-CG 3.78Å; A104-F144 HydrophobicContact CB-CZ 3.76Å; F144-C146 HydrophobicContact CE1-CB 4.41Å; F144-L173 WeakPolarHBondContact CA-O 3.48Å; F144-L173 HydrophobicContact CD2-CD2 3.88Å; F144-L173 HydrophobicContact CD2-CG 3.96Å; F144-D175 HydrophobicContact CE2-CB 4.18Å; F144-D175 HydrophobicContact CZ-CB 3.93Å; F144-Y196 HydrophobicContact CE2-CE1 4.42Å
145V98.9Very high98.6Very high1 Ų123.3 Ų23.31%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-131.2133.1175.1-175.70000110.2M95 L143 Q156 L158 L172 L173 V174 D175M95-V145 HydrophobicContact CG-CG2 4.01Å; L143-V145 HydrophobicContact CD1-CG2 4.37Å; L143-V145 HydrophobicContact CD2-CG2 3.92Å; L143-V145 HydrophobicContact CG-CG2 3.86Å; V145-Q156 HydrophobicContact CG1-CB 4.35Å; V145-Q156 HydrophobicContact CG1-CG 3.51Å; V145-L158 HydrophobicContact CG1-CD2 3.96Å; V145-L172 HydrophobicContact CG2-CD1 4.03Å; V145-L173 PolarHBondContact N-O 2.87Å; V145-V174 WeakPolarHBondContact O-CA 3.44Å; V145-D175 PolarHBondContact O-N 3.2Å
146C98.8Very high98.6Very high2 Ų223.5 Ų23.51%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-89.4115.6166.9-171.30000110.3W100 F144 Q156 D175W100-C146 HydrophobicContact CB-CB 4.27Å; W100-C146 VanDerWaalsContact CD1-SG 3.51Å; F144-C146 HydrophobicContact CE1-CB 4.41Å; C146-Q156 WeakPolarHBondContact O-CB 3.33Å; C146-D175 HydrophobicContact CB-CB 4.45Å
147H98.8Very high98.6Very high8 Ų824.6 Ų24.64%0.03712%0.12CC..SBendtrans-72.4-51.6-178.3-177.6-158.4000111.2L155 Q156 L158 V174 D175 M176 S179 A185H147-L155 VanDerWaalsContact NE2-CD1 3.35Å; H147-L155 WeakPolarHBondContact NE2-CD1 3.42Å; H147-L155 CarbonylContact O-C 3.59Å; H147-L155 WeakPolarHBondContact O-CA 3.5Å; H147-Q156 PolarHBondContact CD2-O 2.95Å; H147-Q156 PolarHBondContact O-N 2.94Å; H147-L158 HydrophobicContact CB-CD1 4.16Å; H147-V174 HydrophobicContact CB-CG1 3.67Å; H147-D175 VanDerWaalsContact CB-O 3.29Å; H147-D175 WeakPolarHBondContact CB-O 3.29Å; H147-D175 PolarHBondContact N-O 2.91Å; H147-M176 HydrophobicContact CB-CG 4.28Å; H147-S179 WeakPolarHBondContact ND1-CB 3.41Å; H147-S179 PolarHBondContact ND1-OG 2.73Å; H147-A185 WeakPolarHBondContact CE1-CB 3.15Å
148G98.6Very high98.6Very high0 Ų019.2 Ų19.20%09%0.092CC..EExtended strand (participates in β ladder)trans-112.496.1176.100000111.4S150 M178G148-S150 PolarHBondContact O-N 3.08Å; G148-M178 WeakPolarHBondContact O-CB 3.33Å
149E98.4Very high98.6Very high0 Ų021.8 Ų21.80%011%0.111CC..EExtended strand (participates in β ladder)trans-78.889.8-173.3-179.242.6-96.700111.3G98 W100 S151 T152 G153 A154G98-E149 WeakPolarHBondContact CA-OE2 3.41Å; W100-E149 PolarHBondContact N-OE2 2.84Å; E149-S151 VanDerWaalsContact CD-OG 3.23Å; E149-S151 PolarHBondContact O-N 3.38Å; E149-S151 VanDerWaalsContact O-N 3.11Å; E149-S151 VanDerWaalsContact OE1-CB 3.28Å; E149-S151 WeakPolarHBondContact OE1-CB 3.36Å; E149-S151 PolarHBondContact OE1-N 3.45Å; E149-S151 PolarHBondContact OE1-OG 3.17Å; E149-T152 HydrophobicContact CG-CG2 3.95Å; E149-T152 WeakPolarHBondContact CG-OG1 3.42Å; E149-T152 PolarHBondContact O-N 3.14Å; E149-T152 PolarHBondContact O-OG1 2.75Å; E149-G153 PolarHBondContact O-N 3.34Å; E149-A154 HydrophobicContact CB-CB 4.47Å; E149-A154 PolarHBondContact N-O 3.42Å
150S98.1Very high98.6Very high1 Ų117 Ų171%0.00710%0.097CC..THydrogen-bonded Turntrans-71-5.3-172.280.40000116.2W100 G148 T152 L313 R352W100-S150 VanDerWaalsContact CE2-OG 3.29Å; W100-S150 WeakPolarHBondContact CZ2-OG 3.37Å; W100-S150 PolarHBondContact NE1-OG 3.21Å; G148-S150 PolarHBondContact O-N 3.08Å; S150-T152 VanDerWaalsContact C-N 3.32Å; S150-L313 VanDerWaalsContact CA-CD2 3.47Å; S150-L313 WeakPolarHBondContact O-CD2 3.32Å; S150-R352 VanDerWaalsContact O-CD 3.3Å; S150-R352 WeakPolarHBondContact O-CD 3.37Å; S150-R352 PolarHBondContact O-NH1 3.25Å
151S98Very high98.6Very high2 Ų217 Ų171%0.01410%0.097CC..THydrogen-bonded Turntrans-81.3-13.1168.565.80000113.1M99 E149 T346 I350M99-S151 PolarHBondContact N-OG 2.91Å; M99-S151 VanDerWaalsContact N-OG 3.09Å; E149-S151 VanDerWaalsContact CD-OG 3.23Å; E149-S151 PolarHBondContact O-N 3.38Å; E149-S151 VanDerWaalsContact O-N 3.11Å; E149-S151 VanDerWaalsContact OE1-CB 3.28Å; E149-S151 WeakPolarHBondContact OE1-CB 3.36Å; E149-S151 PolarHBondContact OE1-N 3.45Å; E149-S151 PolarHBondContact OE1-OG 3.17Å; S151-T346 WeakPolarHBondContact O-CG2 3.25Å; S151-T346 PolarHBondContact O-OG1 2.92Å; S151-I350 WeakPolarHBondContact O-CD1 3.29Å
152T98Very high98.6Very high1 Ų113.4 Ų13.41%0.0068%0.084CC..THydrogen-bonded Turntrans-130.5-32.5-174.170.20000113.9P122 E149 S150 A154 T346P122-T152 HydrophobicContact CB-CG2 3.74Å; E149-T152 HydrophobicContact CG-CG2 3.95Å; E149-T152 WeakPolarHBondContact CG-OG1 3.42Å; E149-T152 PolarHBondContact O-N 3.14Å; E149-T152 PolarHBondContact O-OG1 2.75Å; S150-T152 VanDerWaalsContact C-N 3.32Å; T152-A154 WeakPolarHBondContact OG1-CB 3.36Å; T152-A154 PolarHBondContact OG1-N 3.01Å; T152-T346 HydrophobicContact CG2-CG2 4.29Å
153G98.2Very high98.6Very high2 Ų219.6 Ų19.62%0.02111%0.113CC..THydrogen-bonded Turntrans88.914-171.100000114E149 L310E149-G153 PolarHBondContact O-N 3.34Å; G153-L310 VanDerWaalsContact O-CB 3.3Å; G153-L310 WeakPolarHBondContact O-CB 3.23Å; G153-L310 PolarHBondContact O-N 3.36Å
154A98.5Very high98.6Very high1 Ų119.7 Ų19.71%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-83145.3176.500000112.1V125 E149 T152 V303 I308V125-A154 HydrophobicContact CG1-CB 4Å; E149-A154 HydrophobicContact CB-CB 4.47Å; E149-A154 PolarHBondContact N-O 3.42Å; T152-A154 WeakPolarHBondContact OG1-CB 3.36Å; T152-A154 PolarHBondContact OG1-N 3.01Å; A154-V303 HydrophobicContact CB-CG2 4.12Å; A154-I308 CarbonylContact C-O 3.59Å; A154-I308 WeakPolarHBondContact CA-O 3.28Å
155L98.8Very high98.6Very high22 Ų2219.7 Ų19.712%0.11511%0.114CC..EExtended strand (participates in β ladder)trans-114109.6174.4-178.969.5000108.8H147 P157 T183 I308 L310H147-L155 VanDerWaalsContact NE2-CD1 3.35Å; H147-L155 WeakPolarHBondContact NE2-CD1 3.42Å; H147-L155 CarbonylContact O-C 3.59Å; H147-L155 WeakPolarHBondContact O-CA 3.5Å; L155-P157 WeakPolarHBondContact O-CD 3.38Å; L155-T183 HydrophobicContact CD1-CG2 3.86Å; L155-I308 PolarHBondContact N-O 3.11Å; L155-L310 HydrophobicContact CB-CB 4.35Å; L155-L310 HydrophobicContact CD1-CD1 3.84Å
156Q98.8Very high98.5Very high4 Ų422.5 Ų22.52%0.01913%0.134CC..  trans-78.5121.1-178.7172.259.957.900110.8F126 V145 C146 H147 L158F126-Q156 PolarHBondContact O-NE2 3.06Å; V145-Q156 HydrophobicContact CG1-CB 4.35Å; V145-Q156 HydrophobicContact CG1-CG 3.51Å; C146-Q156 WeakPolarHBondContact O-CB 3.33Å; H147-Q156 PolarHBondContact CD2-O 2.95Å; H147-Q156 PolarHBondContact O-N 2.94Å; Q156-L158 HydrophobicContact CG-CD2 4.4Å; Q156-L158 PolarHBondContact O-N 3.12Å
157P98.4Very high98.5Very high65 Ų6528.4 Ų28.442%0.42216%0.161SC..  trans-59.3138.7171.2-2434.7000111.8L155 I308L155-P157 WeakPolarHBondContact O-CD 3.38Å; P157-I308 HydrophobicContact CG-CG2 4.4Å
158L98.7Very high98.5Very high6 Ų632 Ų323%0.03118%0.177CC..  trans-114.3-8.6-177.4-61.5179.7000113.8V145 H147 Q156 G160 L161 V174 A185 L190 I192V145-L158 HydrophobicContact CG1-CD2 3.96Å; H147-L158 HydrophobicContact CB-CD1 4.16Å; Q156-L158 HydrophobicContact CG-CD2 4.4Å; Q156-L158 PolarHBondContact O-N 3.12Å; L158-G160 PolarHBondContact O-N 3.43Å; L158-L161 HydrophobicContact CD2-CD1 4.16Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CG 3.19Å; L158-L161 PolarHBondContact O-N 2.87Å; L158-L161 VanDerWaalsContact O-N 3.13Å; L158-V174 HydrophobicContact CD1-CG1 3.98Å; L158-V174 HydrophobicContact CD2-CG1 4.35Å; L158-A185 HydrophobicContact CD1-CB 4.39Å; L158-L190 HydrophobicContact CB-CD1 4.04Å; L158-L190 HydrophobicContact CB-CD2 4.44Å; L158-L190 HydrophobicContact CD1-CD1 4.14Å; L158-I192 HydrophobicContact CD1-CD1 4.01Å
159D98.3Very high98.4Very high127 Ų12737.1 Ų37.168%0.67921%0.205SC*.THydrogen-bonded Turntrans-57132.9-175-66.8-35.9000112L161 L190D159-L161 PolarHBondContact O-N 3.11Å; D159-L190 VanDerWaalsContact OD1-CD2 3.32Å; D159-L190 WeakPolarHBondContact OD1-CD2 3.46Å
160G98.5Very high98.4Very high33 Ų3337.1 Ų37.134%0.3421%0.205SC..THydrogen-bonded Turntrans74.9-9-179.900000115.6L158 L164L158-G160 PolarHBondContact O-N 3.43Å; G160-L164 WeakPolarHBondContact O-CB 3.25Å; G160-L164 PolarHBondContact O-N 3.21Å; G160-L164 VanDerWaalsContact O-N 3.09Å
161L98.7Very high98.5Very high3 Ų337.5 Ų37.52%0.01621%0.207CC..Hα-helixtrans-68.8-38.9-176.6-63.6-171.3000113Y128 I131 L158 D159 L164 C165 L172Y128-L161 HydrophobicContact CD2-CD2 3.94Å; Y128-L161 HydrophobicContact CE2-CD2 4.41Å; I131-L161 HydrophobicContact CB-CD2 4.23Å; I131-L161 HydrophobicContact CD1-CD1 3.79Å; I131-L161 HydrophobicContact CD1-CD2 3.78Å; I131-L161 HydrophobicContact CD1-CG 4.46Å; I131-L161 HydrophobicContact CG2-CD2 3.97Å; L158-L161 HydrophobicContact CD2-CD1 4.16Å; L158-L161 WeakPolarHBondContact O-CB 3.3Å; L158-L161 WeakPolarHBondContact O-CG 3.19Å; L158-L161 PolarHBondContact O-N 2.87Å; L158-L161 VanDerWaalsContact O-N 3.13Å; D159-L161 PolarHBondContact O-N 3.11Å; L161-L164 HydrophobicContact CD2-CD2 4.29Å; L161-L164 PolarHBondContact O-N 3.39Å; L161-C165 WeakPolarHBondContact O-CB 3.45Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.3Å; L161-L172 HydrophobicContact CB-CD2 3.9Å
162G98.8Very high98.5Very high3 Ų337.5 Ų37.53%0.03121%0.206CC..Hα-helixtrans-62.5-44.4178.500000112.5C165 S166 L190 G191G162-C165 PolarHBondContact O-N 3.5Å; G162-S166 WeakPolarHBondContact O-CB 3.26Å; G162-S166 PolarHBondContact O-N 3.25Å; G162-L190 VanDerWaalsContact CA-O 3.3Å; G162-L190 WeakPolarHBondContact CA-O 3.41Å; G162-L190 PolarHBondContact N-O 2.92Å; G162-G191 VanDerWaalsContact CA-O 3.3Å; G162-G191 WeakPolarHBondContact CA-O 3.37Å
163E98.6Very high98.6Very high130 Ų13037.4 Ų37.461%0.60721%0.206SC*.Hα-helixtrans-61.9-47.4175.2-173-177.917300111.2C165 S166 Q167E163-C165 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-N 3.24Å; E163-S166 VanDerWaalsContact O-N 3.16Å; E163-Q167 WeakPolarHBondContact O-CG 3.44Å; E163-Q167 PolarHBondContact O-N 3.45Å; E163-Q167 PolarHBondContact OE1-NE2 3.2Å
164L98.8Very high98.6Very high2 Ų237.3 Ų37.31%0.0121%0.205CC..Hα-helixtrans-56.7-47.7177.4170.461.4000112.2Y128 I131 R132 I135 G160 L161 S166 Q167 H168Y128-L164 HydrophobicContact CE2-CB 4.19Å; Y128-L164 HydrophobicContact CE2-CD2 3.93Å; I131-L164 HydrophobicContact CG2-CD2 4.25Å; R132-L164 HydrophobicContact CB-CD1 4.26Å; R132-L164 HydrophobicContact CB-CD2 3.93Å; R132-L164 HydrophobicContact CG-CD1 3.74Å; R132-L164 HydrophobicContact CG-CD2 4.33Å; I135-L164 HydrophobicContact CD1-CD2 3.85Å; I135-L164 HydrophobicContact CD1-CG 3.81Å; G160-L164 WeakPolarHBondContact O-CB 3.25Å; G160-L164 PolarHBondContact O-N 3.21Å; G160-L164 VanDerWaalsContact O-N 3.09Å; L161-L164 HydrophobicContact CD2-CD2 4.29Å; L161-L164 PolarHBondContact O-N 3.39Å; L164-S166 VanDerWaalsContact C-N 3.35Å; L164-Q167 PolarHBondContact O-N 3.29Å; L164-H168 PolarHBondContact O-ND1 3.18Å
165C98.8Very high98.6Very high0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-61.2-44.2176.4-79.10000111.1L161 G162 E163 Q167 H168 D169 C170 L172L161-C165 WeakPolarHBondContact O-CB 3.45Å; L161-C165 PolarHBondContact O-N 3.13Å; L161-C165 PolarHBondContact O-SG 3.3Å; G162-C165 PolarHBondContact O-N 3.5Å; E163-C165 PolarHBondContact O-N 2.86Å; C165-Q167 VanDerWaalsContact C-N 3.32Å; C165-Q167 PolarHBondContact O-N 3.37Å; C165-H168 PolarHBondContact O-N 3.36Å; C165-H168 VanDerWaalsContact O-N 3.08Å; C165-D169 PolarHBondContact O-N 3.43Å; C165-C170 CarbonylContact C-O 3.52Å; C165-C170 HydrophobicContact CB-CB 4.12Å; C165-C170 WeakPolarHBondContact CB-O 3.28Å; C165-C170 WeakPolarHBondContact O-CB 3.29Å; C165-C170 PolarHBondContact O-N 3.5Å; C165-C170 VanDerWaalsContact O-O 3.12Å; C165-L172 HydrophobicContact CB-CB 4.21Å
166S98.3Very high98.6Very high61 Ų6136.6 Ų36.643%0.42720%0.201SC..Hα-helixtrans-60.8-38.3178.2-171.60000113G162 E163 L164 H168 D169G162-S166 WeakPolarHBondContact O-CB 3.26Å; G162-S166 PolarHBondContact O-N 3.25Å; E163-S166 PolarHBondContact O-N 3.24Å; E163-S166 VanDerWaalsContact O-N 3.16Å; L164-S166 VanDerWaalsContact C-N 3.35Å; S166-H168 PolarHBondContact O-N 2.86Å; S166-D169 PolarHBondContact O-N 3.46Å
167Q98.1Very high98.6Very high125 Ų12536.9 Ų36.958%0.58420%0.203SC*.Hα-helixtrans-63.6-21.6177-70.7171.62.200113.3E163 L164 C165E163-Q167 WeakPolarHBondContact O-CG 3.44Å; E163-Q167 PolarHBondContact O-N 3.45Å; E163-Q167 PolarHBondContact OE1-NE2 3.2Å; L164-Q167 PolarHBondContact O-N 3.29Å; C165-Q167 VanDerWaalsContact C-N 3.32Å; C165-Q167 PolarHBondContact O-N 3.37Å
168H98.3Very high98.6Very high83 Ų8333.9 Ų33.938%0.38418%0.183SC..THydrogen-bonded Turntrans-109.815.9-177.5-66.180.9000113.7I135 L164 C165 S166 C170I135-H168 HydrophobicContact CG2-CB 3.62Å; L164-H168 PolarHBondContact O-ND1 3.18Å; C165-H168 PolarHBondContact O-N 3.36Å; C165-H168 VanDerWaalsContact O-N 3.08Å; S166-H168 PolarHBondContact O-N 2.86Å; H168-C170 HydrophobicContact CB-CB 4.47Å; H168-C170 PolarHBondContact O-N 3.15Å; H168-C170 VanDerWaalsContact O-N 3.12Å
169D97.8Very high98.6Very high108 Ų10833.6 Ų33.658%0.57818%0.182SC*.THydrogen-bonded Turntrans51.333.3-172.9-166.842.2000113.3R141 C165 S166R141-D169 IonicContact CZ-OD2 3.05Å; R141-D169 IonicContact NH1-OD2 3.78Å; R141-D169 PolarHBondContact NH1-OD2 3.27Å; C165-D169 PolarHBondContact O-N 3.43Å; S166-D169 PolarHBondContact O-N 3.46Å
170C98.8Very high98.6Very high0 Ų027.7 Ų27.70%015%0.15CC..  trans-102.7141.7177.6-1730000109.4P140 L143 C165 H168 R217P140-C170 WeakPolarHBondContact O-CB 3.42Å; P140-C170 PolarHBondContact O-SG 2.72Å; L143-C170 PolarHBondContact N-SG 3.04Å; L143-C170 VanDerWaalsContact N-SG 3.45Å; C165-C170 CarbonylContact C-O 3.52Å; C165-C170 HydrophobicContact CB-CB 4.12Å; C165-C170 WeakPolarHBondContact CB-O 3.28Å; C165-C170 WeakPolarHBondContact O-CB 3.29Å; C165-C170 PolarHBondContact O-N 3.5Å; C165-C170 VanDerWaalsContact O-O 3.12Å; H168-C170 HydrophobicContact CB-CB 4.47Å; H168-C170 PolarHBondContact O-N 3.15Å; H168-C170 VanDerWaalsContact O-N 3.12Å; C170-R217 PolarHBondContact O-NH2 2.65Å
171L98.9Very high98.6Very high10 Ų1026.2 Ų26.25%0.05214%0.135CC..EExtended strand (participates in β ladder)trans-94.7133.6171.3-61.1175.9000110.5L85 R141 V142 L143 D193 R217 R221L85-L171 HydrophobicContact CD2-CD1 3.99Å; R141-L171 PolarHBondContact O-N 3.33Å; V142-L171 WeakPolarHBondContact CA-O 3.36Å; V142-L171 HydrophobicContact CG2-CB 4.3Å; L143-L171 PolarHBondContact N-O 2.96Å; L171-D193 WeakPolarHBondContact CA-OD2 3.49Å; L171-D193 HydrophobicContact CB-CB 4.09Å; L171-D193 HydrophobicContact CD2-CB 3.96Å; L171-R217 HydrophobicContact CD2-CB 4.05Å; L171-R221 HydrophobicContact CD1-CB 3.98Å; L171-R221 HydrophobicContact CD1-CG 3.96Å
172L99Very high98.5Very high1 Ų126 Ų261%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-89113.4175.4178.858.5000111L143 V145 L161 C165 V174 I192 D193 C194L143-L172 HydrophobicContact CD2-CD1 3.97Å; L143-L172 HydrophobicContact CG-CD1 4.29Å; V145-L172 HydrophobicContact CG2-CD1 4.03Å; L161-L172 HydrophobicContact CB-CD2 3.9Å; C165-L172 HydrophobicContact CB-CB 4.21Å; L172-V174 HydrophobicContact CD1-CG2 3.95Å; L172-V174 HydrophobicContact CD2-CG2 4.22Å; L172-V174 HydrophobicContact CG-CG2 3.77Å; L172-I192 HydrophobicContact CD2-CG1 3.96Å; L172-D193 PolarHBondContact N-OD2 3.22Å; L172-D193 PolarHBondContact O-N 2.98Å; L172-C194 PolarHBondContact O-N 3.22Å
173L99Very high98.4Very high0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-105.2120.1174.4171.259.5000110.3L82 V142 L143 F144 V145 C194 Y196L82-L173 HydrophobicContact CD2-CD2 3.87Å; L82-L173 HydrophobicContact CG-CD2 4.5Å; V142-L173 HydrophobicContact CG1-CB 3.73Å; V142-L173 HydrophobicContact CG1-CD2 4.25Å; L143-L173 PolarHBondContact O-N 3.42Å; F144-L173 WeakPolarHBondContact CA-O 3.48Å; F144-L173 HydrophobicContact CD2-CD2 3.88Å; F144-L173 HydrophobicContact CD2-CG 3.96Å; V145-L173 PolarHBondContact N-O 2.87Å; L173-C194 CarbonylContact C-O 3.56Å; L173-C194 WeakPolarHBondContact CA-O 3.33Å; L173-C194 HydrophobicContact CD1-CB 3.75Å; L173-Y196 HydrophobicContact CD1-CD1 4.08Å; L173-Y196 HydrophobicContact CD1-CE1 4.14Å
174V99Very high98.3Very high0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-120123.5-175.4-173.20000111.9V145 H147 L158 L172 M176 I192 C194 A195 Y196V145-V174 WeakPolarHBondContact O-CA 3.44Å; H147-V174 HydrophobicContact CB-CG1 3.67Å; L158-V174 HydrophobicContact CD1-CG1 3.98Å; L158-V174 HydrophobicContact CD2-CG1 4.35Å; L172-V174 HydrophobicContact CD1-CG2 3.95Å; L172-V174 HydrophobicContact CD2-CG2 4.22Å; L172-V174 HydrophobicContact CG-CG2 3.77Å; V174-M176 HydrophobicContact CB-CG 4.39Å; V174-M176 HydrophobicContact CG1-CG 3.71Å; V174-M176 PolarHBondContact O-N 2.84Å; V174-I192 HydrophobicContact CB-CD1 4.4Å; V174-I192 HydrophobicContact CB-CG2 4.05Å; V174-I192 HydrophobicContact CG2-CB 4.47Å; V174-I192 HydrophobicContact CG2-CD1 3.99Å; V174-I192 HydrophobicContact CG2-CG1 3.99Å; V174-I192 HydrophobicContact CG2-CG2 3.69Å; V174-C194 PolarHBondContact N-O 2.95Å; V174-A195 WeakPolarHBondContact O-CA 3.29Å; V174-Y196 PolarHBondContact O-N 3.04Å
175D98.9Very high98.2Very high4 Ų425.2 Ų25.22%0.02114%0.139CC..EExtended strand (participates in β ladder)trans-78.4112.9165.6-179-20.7000109.7F144 V145 C146 H147 V177 Y196F144-D175 HydrophobicContact CE2-CB 4.18Å; F144-D175 HydrophobicContact CZ-CB 3.93Å; V145-D175 PolarHBondContact O-N 3.2Å; C146-D175 HydrophobicContact CB-CB 4.45Å; H147-D175 VanDerWaalsContact CB-O 3.29Å; H147-D175 WeakPolarHBondContact CB-O 3.29Å; H147-D175 PolarHBondContact N-O 2.91Å; D175-V177 WeakPolarHBondContact OD1-CB 3.44Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-V177 PolarHBondContact OD1-N 3.45Å; D175-Y196 HydrophobicContact CB-CE1 3.95Å; D175-Y196 HydrophobicContact CB-CE2 4.26Å; D175-Y196 VanDerWaalsContact CB-OH 3.28Å; D175-Y196 WeakPolarHBondContact CB-OH 3.38Å; D175-Y196 VanDerWaalsContact CG-OH 3.27Å; D175-Y196 PolarHBondContact OD2-OH 2.88Å; D175-Y196 VanDerWaalsContact OD2-OH 3.1Å
176M98.8Very high98.2Very high3 Ų326.2 Ų26.22%0.01515%0.145CC..  trans-114.625.3175.9-55.1-179.168.900112.3F60 H147 V174 M178 S179 L180 A185 V187 A195 Y196 S197F60-M176 HydrophobicContact CD1-SD 4.22Å; F60-M176 HydrophobicContact CE1-SD 4.2Å; H147-M176 HydrophobicContact CB-CG 4.28Å; V174-M176 HydrophobicContact CB-CG 4.39Å; V174-M176 HydrophobicContact CG1-CG 3.71Å; V174-M176 PolarHBondContact O-N 2.84Å; M176-M178 VanDerWaalsContact C-N 3.27Å; M176-M178 PolarHBondContact O-N 2.89Å; M176-S179 WeakPolarHBondContact CA-OG 3.45Å; M176-S179 PolarHBondContact O-N 2.81Å; M176-L180 HydrophobicContact CB-CB 4.26Å; M176-L180 HydrophobicContact CE-CD1 4.34Å; M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 PolarHBondContact O-N 3.02Å; M176-A185 HydrophobicContact CE-CB 3.48Å; M176-A185 VanDerWaalsContact CE-CB 3.48Å; M176-V187 HydrophobicContact SD-CG2 4.28Å; M176-A195 HydrophobicContact SD-CB 3.81Å; M176-Y196 CarbonylContact C-O 3.32Å; M176-Y196 VanDerWaalsContact CA-O 3.3Å; M176-Y196 WeakPolarHBondContact CA-O 3.41Å; M176-Y196 WeakPolarHBondContact CB-O 3.14Å; M176-Y196 PolarHBondContact N-O 2.75Å; M176-S197 PolarHBondContact O-OG 3.44Å
177V98.7Very high98.2Very high11 Ų1123.3 Ų23.37%0.06713%0.125CC..THydrogen-bonded Turntrans-56.3-41.9-179.2168.30000111.7D175 Y196 S197 A198 K201D175-V177 WeakPolarHBondContact OD1-CB 3.44Å; D175-V177 WeakPolarHBondContact OD1-CG2 3.44Å; D175-V177 PolarHBondContact OD1-N 3.45Å; V177-Y196 HydrophobicContact CG2-CD2 3.92Å; V177-Y196 HydrophobicContact CG2-CE2 3.7Å; V177-S197 WeakPolarHBondContact CA-OG 3.25Å; V177-A198 HydrophobicContact CG1-CB 3.85Å; V177-A198 HydrophobicContact CG2-CB 4.22Å; V177-K201 HydrophobicContact CG1-CD 4.35Å; V177-K201 HydrophobicContact CG1-CG 3.77Å; V177-K201 VanDerWaalsContact O-CB 3.29Å; V177-K201 WeakPolarHBondContact O-CB 3.42Å; V177-K201 WeakPolarHBondContact O-CG 3.31Å
178M97.9Very high98.3Very high1 Ų120.7 Ų20.71%0.00512%0.115CC..THydrogen-bonded Turntrans-96.3-15.5-178.5-165.854.680.300113.6P20 G148 M176 K201 L310 S312 L313 M356P20-M178 HydrophobicContact CB-CE 4.31Å; P20-M178 WeakPolarHBondContact O-CE 3.5Å; G148-M178 WeakPolarHBondContact O-CB 3.33Å; M176-M178 VanDerWaalsContact C-N 3.27Å; M176-M178 PolarHBondContact O-N 2.89Å; M178-K201 HydrophobicContact CE-CD 3.83Å; M178-K201 HydrophobicContact SD-CD 4.37Å; M178-L310 HydrophobicContact CB-CD2 3.96Å; M178-L310 HydrophobicContact CG-CD2 3.37Å; M178-L310 HydrophobicContact CG-CG 4.25Å; M178-S312 WeakPolarHBondContact CG-OG 3.42Å; M178-S312 WeakPolarHBondContact O-CB 3.25Å; M178-S312 PolarHBondContact O-OG 2.74Å; M178-L313 HydrophobicContact CE-CD1 4.37Å; M178-L313 HydrophobicContact CG-CB 4.25Å; M178-L313 HydrophobicContact SD-CB 4.36Å; M178-M356 HydrophobicContact CE-CE 3.8Å; M178-M356 HydrophobicContact CE-SD 4.09Å; M178-M356 HydrophobicContact SD-CE 3.52Å; M178-M356 VanDerWaalsContact SD-CE 3.52Å; M178-M356 HydrophobicContact SD-SD 3.44Å
179S98.5Very high98.3Very high0 Ų024.4 Ų24.40%013%0.134CC..THydrogen-bonded Turntrans-105.8-26-171.6510000114.9H147 M176 G181 A182 T183H147-S179 WeakPolarHBondContact ND1-CB 3.41Å; H147-S179 PolarHBondContact ND1-OG 2.73Å; M176-S179 WeakPolarHBondContact CA-OG 3.45Å; M176-S179 PolarHBondContact O-N 2.81Å; S179-G181 PolarHBondContact O-N 3.22Å; S179-G181 VanDerWaalsContact O-N 3.07Å; S179-A182 PolarHBondContact O-N 2.92Å; S179-T183 PolarHBondContact O-N 3.27Å
180L98.5Very high98.3Very high3 Ų320.1 Ų20.12%0.01611%0.111CC..BIsolated β-bridgetrans-56.3116.3-177.3-17765.7000111.6M59 F60 M176 A182 S197 V202M59-L180 HydrophobicContact CB-CD1 4.15Å; M59-L180 HydrophobicContact CB-CD2 4.37Å; M59-L180 HydrophobicContact CB-CG 4.33Å; M59-L180 WeakPolarHBondContact O-CD1 3.33Å; F60-L180 HydrophobicContact CD1-CD1 3.51Å; F60-L180 HydrophobicContact CD1-CD2 4.28Å; F60-L180 HydrophobicContact CE1-CD1 3.76Å; F60-L180 HydrophobicContact CE1-CD2 3.81Å; F60-L180 HydrophobicContact CE1-CG 4.35Å; F60-L180 HydrophobicContact CE2-CD2 4.21Å; F60-L180 HydrophobicContact CG-CD1 4.06Å; F60-L180 HydrophobicContact CZ-CD1 4.49Å; F60-L180 HydrophobicContact CZ-CD2 3.77Å; M176-L180 HydrophobicContact CB-CB 4.26Å; M176-L180 HydrophobicContact CE-CD1 4.34Å; M176-L180 WeakPolarHBondContact O-CB 3.43Å; M176-L180 PolarHBondContact O-N 3.02Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.85Å; L180-S197 WeakPolarHBondContact CB-OG 3.21Å; L180-S197 VanDerWaalsContact CD2-CB 3.49Å; L180-V202 VanDerWaalsContact O-CB 3.23Å; L180-V202 WeakPolarHBondContact O-CB 3.26Å; L180-V202 WeakPolarHBondContact O-CG1 3.36Å; L180-V202 WeakPolarHBondContact O-CG2 3.41Å
181G97.4Very high98.3Very high2 Ų221.5 Ų21.52%0.02113%0.126CC..THydrogen-bonded Turntrans82.6-9.8-179.500000115.8S179 V279S179-G181 PolarHBondContact O-N 3.22Å; S179-G181 VanDerWaalsContact O-N 3.07Å; G181-V279 WeakPolarHBondContact O-CG1 3.48Å
182A97.8Very high98.3Very high0 Ų021.2 Ų21.20%012%0.124CC..THydrogen-bonded Turntrans-98.7-11.5175.400000113.3S179 L180 V202 H283S179-A182 PolarHBondContact O-N 2.92Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.85Å; A182-V202 HydrophobicContact CB-CG2 3.77Å; A182-H283 HydrophobicContact CB-CB 4.23Å
183T97.3Very high98.3Very high17 Ų1721.4 Ų21.410%0.10413%0.125CC..BIsolated β-bridgetrans-154.3159.9177.9-179.20000109.3L155 S179L155-T183 HydrophobicContact CD1-CG2 3.86Å; S179-T183 PolarHBondContact O-N 3.27Å
184T96.1Very high98.3Very high89 Ų8921.4 Ų21.455%0.54613%0.125SC..  trans-76.1120.7178.6-58.50000110.7
185A97Very high98.3Very high11 Ų1121.4 Ų21.49%0.09113%0.125CC..  trans-154.377.5168.600000110.9H147 L158 M176 V187 L190H147-A185 WeakPolarHBondContact CE1-CB 3.15Å; L158-A185 HydrophobicContact CD1-CB 4.39Å; M176-A185 HydrophobicContact CE-CB 3.48Å; M176-A185 VanDerWaalsContact CE-CB 3.48Å; A185-V187 PolarHBondContact O-N 2.56Å; A185-L190 HydrophobicContact CB-CD1 3.83Å
186P98.6Very high98.3Very high21 Ų2121.2 Ų21.214%0.13612%0.124CC..  trans-67.8112.5-178.425.6-33.2000112Q61 D188 M189 L190Q61-P186 HydrophobicContact CB-CB 3.76Å; Q61-P186 HydrophobicContact CG-CB 4.47Å; P186-D188 PolarHBondContact O-N 3.46Å; P186-M189 HydrophobicContact CB-CB 3.99Å; P186-M189 HydrophobicContact CG-CB 3.84Å; P186-M189 HydrophobicContact CG-CE 4.22Å; P186-M189 HydrophobicContact CG-CG 4.34Å; P186-M189 HydrophobicContact CG-SD 3.77Å; P186-M189 PolarHBondContact O-N 2.86Å; P186-L190 WeakPolarHBondContact O-CB 3.1Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 3.07Å
187V98.9Very high98.3Very high0 Ų021.2 Ų21.20%013%0.125CC..THydrogen-bonded Turntrans-56.2-47.8-171.1160.40000112.5F60 M176 A185 G191 I192 A195 T213F60-V187 HydrophobicContact CB-CB 4.49Å; F60-V187 HydrophobicContact CB-CG2 3.95Å; F60-V187 HydrophobicContact CD1-CG2 3.85Å; F60-V187 HydrophobicContact CG-CG2 4.29Å; F60-V187 WeakPolarHBondContact O-CB 3.26Å; F60-V187 WeakPolarHBondContact O-CG2 3.42Å; F60-V187 PolarHBondContact O-N 2.79Å; M176-V187 HydrophobicContact SD-CG2 4.28Å; A185-V187 PolarHBondContact O-N 2.56Å; V187-G191 PolarHBondContact O-N 3.31Å; V187-G191 VanDerWaalsContact O-N 3.17Å; V187-I192 HydrophobicContact CG1-CB 4.17Å; V187-I192 HydrophobicContact CG2-CD1 4.37Å; V187-I192 PolarHBondContact O-N 3.37Å; V187-A195 HydrophobicContact CG2-CB 3.84Å; V187-T213 HydrophobicContact CG1-CG2 4.03Å; V187-T213 HydrophobicContact CG2-CG2 4.24Å
188D98.8Very high98.3Very high70 Ų7020.7 Ų20.737%0.37412%0.122SC..THydrogen-bonded Turntrans-68.6-43.2-177.5-72.42.9000111.5T62 R63 P186 L190 G191T62-D188 WeakPolarHBondContact CA-OD1 3.48Å; T62-D188 WeakPolarHBondContact CA-OD2 3.43Å; T62-D188 VanDerWaalsContact CB-OD1 3.23Å; T62-D188 WeakPolarHBondContact CB-OD1 3.26Å; T62-D188 PolarHBondContact OG1-OD1 3.28Å; R63-D188 PolarHBondContact N-OD2 3.23Å; P186-D188 PolarHBondContact O-N 3.46Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.13Å; D188-G191 PolarHBondContact O-N 3.37Å
189M98.5Very high98.3Very high161 Ų16120.7 Ų20.779%0.79312%0.122SC*.THydrogen-bonded Turntrans-66.4-37.8-179.2-179.5-168.1-65.700111.5P186 G191P186-M189 HydrophobicContact CB-CB 3.99Å; P186-M189 HydrophobicContact CG-CB 3.84Å; P186-M189 HydrophobicContact CG-CE 4.22Å; P186-M189 HydrophobicContact CG-CG 4.34Å; P186-M189 HydrophobicContact CG-SD 3.77Å; P186-M189 PolarHBondContact O-N 2.86Å; M189-G191 PolarHBondContact O-N 2.72Å
190L98.7Very high98.3Very high18 Ų1822 Ų229%0.09413%0.127CC..THydrogen-bonded Turntrans-78.8-6.3177.6-68.3174.8000113.2L158 D159 G162 A185 P186 D188 I192L158-L190 HydrophobicContact CB-CD1 4.04Å; L158-L190 HydrophobicContact CB-CD2 4.44Å; L158-L190 HydrophobicContact CD1-CD1 4.14Å; D159-L190 VanDerWaalsContact OD1-CD2 3.32Å; D159-L190 WeakPolarHBondContact OD1-CD2 3.46Å; G162-L190 VanDerWaalsContact CA-O 3.3Å; G162-L190 WeakPolarHBondContact CA-O 3.41Å; G162-L190 PolarHBondContact N-O 2.92Å; A185-L190 HydrophobicContact CB-CD1 3.83Å; P186-L190 WeakPolarHBondContact O-CB 3.1Å; P186-L190 WeakPolarHBondContact O-CG 3.34Å; P186-L190 PolarHBondContact O-N 3.07Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.13Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 3.89Å; L190-I192 HydrophobicContact CD1-CD1 4.03Å; L190-I192 PolarHBondContact O-N 3.36Å
191G98.7Very high98.3Very high29 Ų2922.7 Ų22.730%0.29913%0.13SC..THydrogen-bonded Turntrans64.634.5-178.100000113.2G162 V187 D188 M189G162-G191 VanDerWaalsContact CA-O 3.3Å; G162-G191 WeakPolarHBondContact CA-O 3.37Å; V187-G191 PolarHBondContact O-N 3.31Å; V187-G191 VanDerWaalsContact O-N 3.17Å; D188-G191 PolarHBondContact O-N 3.37Å; M189-G191 PolarHBondContact O-N 2.72Å
192I98.9Very high98.3Very high4 Ų423.1 Ų23.12%0.02113%0.133CC..  trans-77.5124.4179.3-61.3169.6000109.3L158 L172 V174 V187 L190 C194 A195L158-I192 HydrophobicContact CD1-CD1 4.01Å; L172-I192 HydrophobicContact CD2-CG1 3.96Å; V174-I192 HydrophobicContact CB-CD1 4.4Å; V174-I192 HydrophobicContact CB-CG2 4.05Å; V174-I192 HydrophobicContact CG2-CB 4.47Å; V174-I192 HydrophobicContact CG2-CD1 3.99Å; V174-I192 HydrophobicContact CG2-CG1 3.99Å; V174-I192 HydrophobicContact CG2-CG2 3.69Å; V187-I192 HydrophobicContact CG1-CB 4.17Å; V187-I192 HydrophobicContact CG2-CD1 4.37Å; V187-I192 PolarHBondContact O-N 3.37Å; L190-I192 VanDerWaalsContact C-N 3.33Å; L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 3.89Å; L190-I192 HydrophobicContact CD1-CD1 4.03Å; L190-I192 PolarHBondContact O-N 3.36Å; I192-C194 WeakPolarHBondContact CG2-O 3.47Å; I192-A195 HydrophobicContact CG2-CB 3.91Å
193D98.9Very high98.4Very high5 Ų523.3 Ų23.33%0.02713%0.134CC..SBendtrans-82.4-33.4-176.5-70.1-65.8000113.1L171 L172 L214 S215 R217 A218L171-D193 WeakPolarHBondContact CA-OD2 3.49Å; L171-D193 HydrophobicContact CB-CB 4.09Å; L171-D193 HydrophobicContact CD2-CB 3.96Å; L172-D193 PolarHBondContact N-OD2 3.22Å; L172-D193 PolarHBondContact O-N 2.98Å; D193-L214 CarbonylContact O-C 3.28Å; D193-L214 WeakPolarHBondContact O-CA 3.45Å; D193-S215 WeakPolarHBondContact CA-OG 3.34Å; D193-S215 PolarHBondContact O-N 3Å; D193-S215 PolarHBondContact O-OG 3.5Å; D193-S215 PolarHBondContact OD1-OG 2.87Å; D193-R217 VanDerWaalsContact CG-NH1 3.29Å; D193-R217 IonicContact OD1-CZ 3.39Å; D193-R217 IonicContact OD1-NH1 2.78Å; D193-R217 PolarHBondContact OD1-NH1 3.33Å; D193-R217 IonicContact OD2-CZ 3.77Å; D193-R217 IonicContact OD2-NH1 3.08Å; D193-R217 PolarHBondContact OD2-NH1 2.81Å; D193-A218 HydrophobicContact CB-CB 4.27Å; D193-A218 VanDerWaalsContact O-CB 3.25Å; D193-A218 WeakPolarHBondContact O-CB 3.4Å
194C98.9Very high98.4Very high0 Ų022.5 Ų22.50%013%0.129CC..EExtended strand (participates in β ladder)trans-143.7125.5172.9-176.10000109.5S81 L85 L172 L173 V174 I192 T213S81-C194 PolarHBondContact OG-SG 2.87Å; L85-C194 HydrophobicContact CD1-CB 3.84Å; L172-C194 PolarHBondContact O-N 3.22Å; L173-C194 CarbonylContact C-O 3.56Å; L173-C194 WeakPolarHBondContact CA-O 3.33Å; L173-C194 HydrophobicContact CD1-CB 3.75Å; V174-C194 PolarHBondContact N-O 2.95Å; I192-C194 WeakPolarHBondContact CG2-O 3.47Å; C194-T213 WeakPolarHBondContact CA-O 3.4Å
195A99Very high98.5Very high0 Ų018.4 Ų18.40%010%0.104CC..EExtended strand (participates in β ladder)trans-128.1141.1174.400000110F60 V174 M176 V187 I192 I212 T213F60-A195 HydrophobicContact CD1-CB 4.18Å; F60-A195 HydrophobicContact CE1-CB 3.93Å; V174-A195 WeakPolarHBondContact O-CA 3.29Å; M176-A195 HydrophobicContact SD-CB 3.81Å; V187-A195 HydrophobicContact CG2-CB 3.84Å; I192-A195 HydrophobicContact CG2-CB 3.91Å; A195-I212 CarbonylContact O-C 3.58Å; A195-I212 WeakPolarHBondContact O-CA 3.46Å; A195-T213 HydrophobicContact CB-CG2 3.91Å; A195-T213 PolarHBondContact N-O 3.48Å; A195-T213 PolarHBondContact O-N 3.23Å
196Y98.9Very high98.5Very high1 Ų119.2 Ų19.20%0.00411%0.108CC..EExtended strand (participates in β ladder)trans-138.2162.9175.370.9-86.9000112.8A77 M78 F144 L173 V174 D175 M176 V177 P211A77-Y196 HydrophobicContact CB-CD2 3.59Å; A77-Y196 HydrophobicContact CB-CE2 4.43Å; A77-Y196 HydrophobicContact CB-CG 3.75Å; M78-Y196 HydrophobicContact CB-CE1 4.44Å; M78-Y196 HydrophobicContact CB-CE2 4.16Å; M78-Y196 WeakPolarHBondContact CB-OH 3.46Å; M78-Y196 WeakPolarHBondContact CE-OH 3.49Å; M78-Y196 WeakPolarHBondContact CG-OH 3.29Å; F144-Y196 HydrophobicContact CE2-CE1 4.42Å; L173-Y196 HydrophobicContact CD1-CD1 4.08Å; L173-Y196 HydrophobicContact CD1-CE1 4.14Å; V174-Y196 PolarHBondContact O-N 3.04Å; D175-Y196 HydrophobicContact CB-CE1 3.95Å; D175-Y196 HydrophobicContact CB-CE2 4.26Å; D175-Y196 VanDerWaalsContact CB-OH 3.28Å; D175-Y196 WeakPolarHBondContact CB-OH 3.38Å; D175-Y196 VanDerWaalsContact CG-OH 3.27Å; D175-Y196 PolarHBondContact OD2-OH 2.88Å; D175-Y196 VanDerWaalsContact OD2-OH 3.1Å; M176-Y196 CarbonylContact C-O 3.32Å; M176-Y196 VanDerWaalsContact CA-O 3.3Å; M176-Y196 WeakPolarHBondContact CA-O 3.41Å; M176-Y196 WeakPolarHBondContact CB-O 3.14Å; M176-Y196 PolarHBondContact N-O 2.75Å; V177-Y196 HydrophobicContact CG2-CD2 3.92Å; V177-Y196 HydrophobicContact CG2-CE2 3.7Å; Y196-P211 CarbonylContact C-O 3.58Å; Y196-P211 WeakPolarHBondContact CA-O 3.35Å; Y196-P211 WeakPolarHBondContact CB-O 3.34Å
197S98.8Very high98.5Very high3 Ų321 Ų212%0.02112%0.124CC..  trans-145.5-165.3177.3-164.90000111.6M176 V177 L180 S210 P211M176-S197 PolarHBondContact O-OG 3.44Å; V177-S197 WeakPolarHBondContact CA-OG 3.25Å; L180-S197 WeakPolarHBondContact CB-OG 3.21Å; L180-S197 VanDerWaalsContact CD2-CB 3.49Å; S197-S210 WeakPolarHBondContact O-CA 3.35Å; S197-S210 VanDerWaalsContact O-CB 3.28Å; S197-S210 WeakPolarHBondContact O-CB 3.5Å; S197-P211 PolarHBondContact N-O 3.37Å
198A98.5Very high98.4Very high0 Ų021.8 Ų21.80%013%0.132CC..  trans-142.7146.7176.500000112.6V177 Q200 K201V177-A198 HydrophobicContact CG1-CB 3.85Å; V177-A198 HydrophobicContact CG2-CB 4.22Å; A198-Q200 VanDerWaalsContact C-N 3.32Å; A198-Q200 PolarHBondContact O-N 2.94Å; A198-K201 HydrophobicContact CB-CG 4.47Å
199S98.5Very high98.4Very high1 Ų118.5 Ų18.51%0.00712%0.115CC..THydrogen-bonded Turntrans-64.7-29.3-174.459.50000114.4K201 L203 S204 C205 P206 L209S199-K201 VanDerWaalsContact C-N 3.35Å; S199-K201 PolarHBondContact O-N 3.37Å; S199-L203 WeakPolarHBondContact O-CB 3.34Å; S199-S204 PolarHBondContact O-N 2.97Å; S199-C205 WeakPolarHBondContact O-CB 3.33Å; S199-C205 PolarHBondContact O-N 3.38Å; S199-P206 WeakPolarHBondContact CB-O 3.31Å; S199-P206 PolarHBondContact OG-O 3.27Å; S199-L209 VanDerWaalsContact CB-O 3.26Å; S199-L209 WeakPolarHBondContact CB-O 3.21Å; S199-L209 PolarHBondContact N-O 3.38Å; S199-L209 PolarHBondContact OG-N 2.84Å; S199-L209 PolarHBondContact OG-O 3.07Å
200Q98.2Very high98.4Very high26 Ų2610.9 Ų10.912%0.1218%0.077CC..THydrogen-bonded Turntrans-90.515.4-172.579.6-768.900116.6P22 T23 A198 C205 A207P22-Q200 WeakPolarHBondContact CA-O 3.3Å; P22-Q200 HydrophobicContact CB-CB 4.01Å; P22-Q200 HydrophobicContact CB-CG 4.12Å; T23-Q200 PolarHBondContact N-O 2.86Å; A198-Q200 VanDerWaalsContact C-N 3.32Å; A198-Q200 PolarHBondContact O-N 2.94Å; Q200-C205 WeakPolarHBondContact CA-O 3.41Å; Q200-C205 WeakPolarHBondContact CB-O 3.29Å; Q200-A207 HydrophobicContact CB-CB 3.82Å; Q200-A207 HydrophobicContact CG-CB 3.76Å
201K98.3Very high98.4Very high18 Ų1810 Ų108%0.0787%0.073CC..THydrogen-bonded Turntrans-109-118.1-179.6-55.1-66.8-178.3155.20109.3P20 T23 V177 M178 A198 S199 L203 S204 M356P20-K201 PolarHBondContact O-NZ 3.29Å; T23-K201 WeakPolarHBondContact CG2-O 3.35Å; T23-K201 PolarHBondContact OG1-O 3.26Å; V177-K201 HydrophobicContact CG1-CD 4.35Å; V177-K201 HydrophobicContact CG1-CG 3.77Å; V177-K201 VanDerWaalsContact O-CB 3.29Å; V177-K201 WeakPolarHBondContact O-CB 3.42Å; V177-K201 WeakPolarHBondContact O-CG 3.31Å; M178-K201 HydrophobicContact CE-CD 3.83Å; M178-K201 HydrophobicContact SD-CD 4.37Å; A198-K201 HydrophobicContact CB-CG 4.47Å; S199-K201 VanDerWaalsContact C-N 3.35Å; S199-K201 PolarHBondContact O-N 3.37Å; K201-L203 PolarHBondContact O-N 2.88Å; K201-S204 PolarHBondContact O-N 2.96Å; K201-S204 PolarHBondContact O-OG 3.37Å; K201-M356 HydrophobicContact CB-SD 3.94Å; K201-M356 HydrophobicContact CD-SD 4.09Å
202V98.1Very high98.4Very high12 Ų128.7 Ų8.77%0.0736%0.059CC..THydrogen-bonded Turntrans-61.8-31.2-180-178.20000112.2L180 A182 S204 M356 G357L180-V202 VanDerWaalsContact O-CB 3.23Å; L180-V202 WeakPolarHBondContact O-CB 3.26Å; L180-V202 WeakPolarHBondContact O-CG1 3.36Å; L180-V202 WeakPolarHBondContact O-CG2 3.41Å; A182-V202 HydrophobicContact CB-CG2 3.77Å; V202-S204 PolarHBondContact O-N 3.03Å; V202-M356 HydrophobicContact CG2-CB 4.18Å; V202-G357 WeakPolarHBondContact O-CA 3.44Å
203L98.2Very high98.4Very high4 Ų48.5 Ų8.52%0.0216%0.058CC..THydrogen-bonded Turntrans-69-15.7175.7-66.8178.2000113.2M59 S199 K201 C205 P211 S267 L268M59-L203 HydrophobicContact CE-CD2 4.41Å; S199-L203 WeakPolarHBondContact O-CB 3.34Å; K201-L203 PolarHBondContact O-N 2.88Å; L203-C205 PolarHBondContact O-N 3.31Å; L203-C205 VanDerWaalsContact O-N 3.13Å; L203-C205 PolarHBondContact O-SG 3.19Å; L203-C205 VanDerWaalsContact O-SG 3.37Å; L203-P211 HydrophobicContact CD1-CG 3.84Å; L203-S267 VanDerWaalsContact O-CB 3.26Å; L203-S267 WeakPolarHBondContact O-CB 3.06Å; L203-S267 PolarHBondContact O-OG 2.99Å; L203-L268 HydrophobicContact CD2-CD2 3.92Å
204S98.3Very high98.4Very high0 Ų08.3 Ų8.30%06%0.057CC..  trans49.143176.8-65.50000114.5T23 N24 L25 L26 S199 K201 V202 G357 H358T23-S204 WeakPolarHBondContact OG1-CA 3.44Å; T23-S204 WeakPolarHBondContact OG1-CB 3.46Å; T23-S204 PolarHBondContact OG1-OG 3.4Å; N24-S204 WeakPolarHBondContact O-CB 3.3Å; L25-S204 CarbonylContact C-O 3.03Å; L25-S204 WeakPolarHBondContact CA-O 3.47Å; L26-S204 PolarHBondContact N-O 2.75Å; S199-S204 PolarHBondContact O-N 2.97Å; K201-S204 PolarHBondContact O-N 2.96Å; K201-S204 PolarHBondContact O-OG 3.37Å; V202-S204 PolarHBondContact O-N 3.03Å; S204-G357 WeakPolarHBondContact OG-CA 3.29Å; S204-H358 PolarHBondContact OG-N 3.47Å
205C98.3Very high98.4Very high3 Ų39 Ų92%0.026%0.062CC..  trans-108.8168.8170.9-61.60000110.1S199 Q200 L203 A263 V264 S267S199-C205 WeakPolarHBondContact O-CB 3.33Å; S199-C205 PolarHBondContact O-N 3.38Å; Q200-C205 WeakPolarHBondContact CA-O 3.41Å; Q200-C205 WeakPolarHBondContact CB-O 3.29Å; L203-C205 PolarHBondContact O-N 3.31Å; L203-C205 VanDerWaalsContact O-N 3.13Å; L203-C205 PolarHBondContact O-SG 3.19Å; L203-C205 VanDerWaalsContact O-SG 3.37Å; C205-A263 PolarHBondContact SG-O 2.94Å; C205-V264 HydrophobicContact CB-CG2 4.24Å; C205-S267 WeakPolarHBondContact SG-CB 3.43Å
206P97.5Very high98.4Very high28 Ų2814.3 Ų14.318%0.1829%0.091CC..  trans-61.9151.9171.4-20.833.2000111.6L25 L33 S199 L260L25-P206 HydrophobicContact CD1-CG 4Å; L25-P206 HydrophobicContact CD2-CG 3.9Å; L33-P206 HydrophobicContact CD1-CG 3.64Å; L33-P206 HydrophobicContact CD2-CG 3.85Å; L33-P206 HydrophobicContact CG-CG 4.3Å; S199-P206 WeakPolarHBondContact CB-O 3.31Å; S199-P206 PolarHBondContact OG-O 3.27Å; P206-L260 HydrophobicContact CB-CD2 3.77Å; P206-L260 HydrophobicContact CG-CD2 4.08Å
207A97.6Very high98.4Very high57 Ų5718 Ų1847%0.47110%0.104SC..SBendtrans-67.1143.2173.800000110.6Q200Q200-A207 HydrophobicContact CB-CB 3.82Å; Q200-A207 HydrophobicContact CG-CB 3.76Å
208G97.7Very high98.4Very high17 Ų1717.9 Ų17.918%0.17510%0.103CC..SBendtrans135.2-3.6176.200000114.8G72G72-G208 CarbonylContact C-O 3.47Å; G72-G208 WeakPolarHBondContact CA-O 3.47Å; G72-G208 PolarHBondContact N-O 3.01Å; G72-G208 CarbonylContact O-C 3.55Å; G72-G208 VanDerWaalsContact O-C 3.28Å
209L98Very high98.4Very high2 Ų218 Ų181%0.0110%0.104CC..EExtended strand (participates in β ladder)trans-123.4142.6165.5-78173.8000110.5A69 I70 G72 S199 L260 V261 V264A69-L209 HydrophobicContact CB-CD2 4.11Å; I70-L209 WeakPolarHBondContact O-CA 3.43Å; I70-L209 WeakPolarHBondContact O-CD2 3.44Å; G72-L209 CarbonylContact O-C 3.52Å; G72-L209 WeakPolarHBondContact O-CA 3.46Å; G72-L209 PolarHBondContact O-N 2.95Å; S199-L209 VanDerWaalsContact CB-O 3.26Å; S199-L209 WeakPolarHBondContact CB-O 3.21Å; S199-L209 PolarHBondContact N-O 3.38Å; S199-L209 PolarHBondContact OG-N 2.84Å; S199-L209 PolarHBondContact OG-O 3.07Å; L209-L260 HydrophobicContact CD1-CB 3.52Å; L209-L260 WeakPolarHBondContact CD1-O 3.26Å; L209-L260 HydrophobicContact CG-CB 3.86Å; L209-L260 HydrophobicContact CG-CD1 4.41Å; L209-V261 HydrophobicContact CD1-CB 4.45Å; L209-V261 HydrophobicContact CD1-CG2 3.87Å; L209-V264 HydrophobicContact CB-CG2 4.35Å; L209-V264 HydrophobicContact CD1-CB 4.47Å; L209-V264 HydrophobicContact CD1-CG2 3.83Å
210S98.6Very high98.3Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-127.8106.6176.839.80000110.2A69 I70 G72 S73 S197A69-S210 WeakPolarHBondContact CA-O 3.35Å; I70-S210 PolarHBondContact N-O 3.26Å; I70-S210 PolarHBondContact O-N 2.89Å; I70-S210 PolarHBondContact O-OG 3.14Å; G72-S210 PolarHBondContact O-N 3.14Å; G72-S210 PolarHBondContact O-OG 3.28Å; S73-S210 PolarHBondContact O-OG 3.02Å; S197-S210 WeakPolarHBondContact O-CA 3.35Å; S197-S210 VanDerWaalsContact O-CB 3.28Å; S197-S210 WeakPolarHBondContact O-CB 3.5Å
211P98.8Very high98.3Very high1 Ų124 Ų241%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-56.6141.3171.8-27.436.5000112.1L56 F60 M68 Y196 S197 L203L56-P211 HydrophobicContact CD1-CB 3.96Å; L56-P211 HydrophobicContact CD1-CG 4.46Å; L56-P211 HydrophobicContact CD2-CB 3.61Å; L56-P211 HydrophobicContact CD2-CG 3.71Å; L56-P211 HydrophobicContact CG-CB 4.39Å; F60-P211 HydrophobicContact CE2-CB 3.85Å; F60-P211 HydrophobicContact CZ-CB 4.05Å; M68-P211 WeakPolarHBondContact O-CA 3.46Å; Y196-P211 CarbonylContact C-O 3.58Å; Y196-P211 WeakPolarHBondContact CA-O 3.35Å; Y196-P211 WeakPolarHBondContact CB-O 3.34Å; S197-P211 PolarHBondContact N-O 3.37Å; L203-P211 HydrophobicContact CD1-CG 3.84Å
212I98.9Very high98.3Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-146.3145175.7-169.8167.4000110.4T67 M68 I70 A195 L214 L236T67-I212 WeakPolarHBondContact CA-O 3.28Å; M68-I212 HydrophobicContact CG-CG2 3.6Å; M68-I212 PolarHBondContact N-O 3.23Å; M68-I212 PolarHBondContact O-N 2.85Å; M68-I212 VanDerWaalsContact O-O 3.14Å; I70-I212 HydrophobicContact CD1-CB 4.27Å; I70-I212 HydrophobicContact CD1-CD1 3.93Å; I70-I212 HydrophobicContact CD1-CG2 3.87Å; I70-I212 HydrophobicContact CG1-CG2 3.98Å; A195-I212 CarbonylContact O-C 3.58Å; A195-I212 WeakPolarHBondContact O-CA 3.46Å; I212-L214 HydrophobicContact CD1-CD1 4.27Å; I212-L214 HydrophobicContact CG1-CD1 4.09Å; I212-L236 HydrophobicContact CD1-CD1 4.21Å; I212-L236 HydrophobicContact CD1-CD2 4.14Å
213T99Very high98.3Very high1 Ų128.8 Ų28.81%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-134.6141.5171.3-1720000110.8F60 T62 N64 F66 T67 V187 C194 A195F60-T213 HydrophobicContact CB-CG2 4.2Å; F60-T213 HydrophobicContact CD1-CG2 4.07Å; F60-T213 HydrophobicContact CD2-CG2 3.89Å; F60-T213 HydrophobicContact CE1-CG2 4.4Å; F60-T213 HydrophobicContact CE2-CG2 4.23Å; F60-T213 HydrophobicContact CG-CG2 3.81Å; F60-T213 HydrophobicContact CZ-CG2 4.48Å; T62-T213 HydrophobicContact CG2-CG2 4.26Å; N64-T213 VanDerWaalsContact CB-OG1 3.29Å; N64-T213 WeakPolarHBondContact CB-OG1 3.01Å; N64-T213 PolarHBondContact ND2-OG1 3.19Å; F66-T213 CarbonylContact O-C 3.53Å; F66-T213 VanDerWaalsContact O-CA 3.29Å; F66-T213 WeakPolarHBondContact O-CA 3.38Å; T67-T213 WeakPolarHBondContact OG1-CB 3.35Å; T67-T213 PolarHBondContact OG1-OG1 3.23Å; V187-T213 HydrophobicContact CG1-CG2 4.03Å; V187-T213 HydrophobicContact CG2-CG2 4.24Å; C194-T213 WeakPolarHBondContact CA-O 3.4Å; A195-T213 HydrophobicContact CB-CG2 3.91Å; A195-T213 PolarHBondContact N-O 3.48Å; A195-T213 PolarHBondContact O-N 3.23Å
214L98.9Very high98.3Very high0 Ų034.6 Ų34.60%018%0.176CC..EExtended strand (participates in β ladder)trans-128.6136179.7-61.6102.1000111.5N64 F66 M68 L85 D193 I212 A218 M219 I222 L236N64-L214 WeakPolarHBondContact CB-O 3.37Å; N64-L214 PolarHBondContact ND2-O 3.17Å; F66-L214 HydrophobicContact CB-CB 4.05Å; F66-L214 HydrophobicContact CB-CD1 4.44Å; F66-L214 PolarHBondContact O-N 2.75Å; M68-L214 HydrophobicContact CE-CD1 4.34Å; L85-L214 HydrophobicContact CD2-CD2 4.41Å; D193-L214 CarbonylContact O-C 3.28Å; D193-L214 WeakPolarHBondContact O-CA 3.45Å; I212-L214 HydrophobicContact CD1-CD1 4.27Å; I212-L214 HydrophobicContact CG1-CD1 4.09Å; L214-A218 HydrophobicContact CB-CB 4.13Å; L214-A218 HydrophobicContact CD2-CB 4.15Å; L214-M219 HydrophobicContact CB-CG 4.09Å; L214-M219 HydrophobicContact CB-SD 3.99Å; L214-M219 HydrophobicContact CD1-SD 4.37Å; L214-M219 HydrophobicContact CD2-SD 4.11Å; L214-M219 HydrophobicContact CG-SD 4.39Å; L214-I222 HydrophobicContact CD2-CD1 3.64Å; L214-L236 HydrophobicContact CD1-CD1 4.07Å; L214-L236 HydrophobicContact CD2-CD1 3.67Å; L214-L236 HydrophobicContact CG-CD1 4.49Å
215S98.9Very high98.3Very high15 Ų1536.3 Ų36.311%0.10518%0.183CC..  trans-69.5164172.777.20000111.8D193 R217 A218 M219D193-S215 WeakPolarHBondContact CA-OG 3.34Å; D193-S215 PolarHBondContact O-N 3Å; D193-S215 PolarHBondContact O-OG 3.5Å; D193-S215 PolarHBondContact OD1-OG 2.87Å; S215-R217 PolarHBondContact O-N 3.46Å; S215-R217 PolarHBondContact OG-N 3.27Å; S215-A218 PolarHBondContact O-N 3.12Å; S215-A218 PolarHBondContact OG-N 2.92Å; S215-A218 VanDerWaalsContact OG-N 3.13Å; S215-M219 PolarHBondContact O-N 3.29Å
216D98.4Very high98.3Very high112 Ų11245.4 Ų45.460%0.59922%0.222SC*.Hα-helixtrans-59.7-32.7172-71.6-19.3000112.1K220D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 PolarHBondContact O-N 3.46Å
217R98.3Very high98.3Very high78 Ų7847.8 Ų47.829%0.29424%0.236SC..Hα-helixtrans-64.8-46.7174.5-74.4175.266.1-134.51.7111C170 L171 D193 S215 K220 R221C170-R217 PolarHBondContact O-NH2 2.65Å; L171-R217 HydrophobicContact CD2-CB 4.05Å; D193-R217 VanDerWaalsContact CG-NH1 3.29Å; D193-R217 IonicContact OD1-CZ 3.39Å; D193-R217 IonicContact OD1-NH1 2.78Å; D193-R217 PolarHBondContact OD1-NH1 3.33Å; D193-R217 IonicContact OD2-CZ 3.77Å; D193-R217 IonicContact OD2-NH1 3.08Å; D193-R217 PolarHBondContact OD2-NH1 2.81Å; S215-R217 PolarHBondContact O-N 3.46Å; S215-R217 PolarHBondContact OG-N 3.27Å; R217-K220 PolarHBondContact O-N 3.25Å; R217-R221 PolarHBondContact O-N 2.76Å
218A98.8Very high98.2Very high0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-62.8-45.1177.200000111.9L85 D193 L214 S215 R221 I222L85-A218 HydrophobicContact CD2-CB 3.94Å; D193-A218 HydrophobicContact CB-CB 4.27Å; D193-A218 VanDerWaalsContact O-CB 3.25Å; D193-A218 WeakPolarHBondContact O-CB 3.4Å; L214-A218 HydrophobicContact CB-CB 4.13Å; L214-A218 HydrophobicContact CD2-CB 4.15Å; S215-A218 PolarHBondContact O-N 3.12Å; S215-A218 PolarHBondContact OG-N 2.92Å; S215-A218 VanDerWaalsContact OG-N 3.13Å; A218-R221 WeakPolarHBondContact O-CB 3.29Å; A218-R221 PolarHBondContact O-N 3.36Å; A218-I222 WeakPolarHBondContact O-CG1 3.17Å; A218-I222 PolarHBondContact O-N 2.87Å
219M98.4Very high98.2Very high3 Ų352 Ų522%0.01525%0.247CC..Hα-helixtrans-66.9-40.3177.2-74-50.9-61.600113.1F66 L214 S215 R221 I222 F223 F246F66-M219 HydrophobicContact CB-CG 3.87Å; F66-M219 HydrophobicContact CB-SD 4.08Å; F66-M219 HydrophobicContact CD1-CE 3.91Å; F66-M219 HydrophobicContact CD1-CG 3.74Å; F66-M219 HydrophobicContact CD1-SD 4.03Å; F66-M219 HydrophobicContact CD2-CB 4.03Å; F66-M219 HydrophobicContact CD2-CG 3.16Å; F66-M219 HydrophobicContact CD2-SD 4.37Å; F66-M219 HydrophobicContact CE1-CE 4.18Å; F66-M219 HydrophobicContact CE1-CG 4.12Å; F66-M219 HydrophobicContact CE2-CB 3.88Å; F66-M219 HydrophobicContact CE2-CG 3.5Å; F66-M219 HydrophobicContact CG-CB 4.45Å; F66-M219 HydrophobicContact CG-CE 4.34Å; F66-M219 HydrophobicContact CG-CG 3.25Å; F66-M219 HydrophobicContact CG-SD 3.86Å; F66-M219 HydrophobicContact CZ-CB 4.27Å; F66-M219 HydrophobicContact CZ-CG 3.97Å; L214-M219 HydrophobicContact CB-CG 4.09Å; L214-M219 HydrophobicContact CB-SD 3.99Å; L214-M219 HydrophobicContact CD1-SD 4.37Å; L214-M219 HydrophobicContact CD2-SD 4.11Å; L214-M219 HydrophobicContact CG-SD 4.39Å; S215-M219 PolarHBondContact O-N 3.29Å; M219-R221 PolarHBondContact O-N 2.84Å; M219-I222 WeakPolarHBondContact O-CB 3.43Å; M219-I222 PolarHBondContact O-N 3.23Å; M219-I222 VanDerWaalsContact O-N 3.11Å; M219-I222 HydrophobicContact SD-CD1 3.82Å; M219-F223 HydrophobicContact CB-CD2 4.44Å; M219-F223 HydrophobicContact CB-CE2 4.27Å; M219-F223 HydrophobicContact CE-CD2 4.38Å; M219-F223 HydrophobicContact CE-CE2 3.54Å; M219-F223 HydrophobicContact CE-CZ 3.75Å; M219-F223 WeakPolarHBondContact O-CD2 3.26Å; M219-F223 PolarHBondContact O-N 2.89Å; M219-F246 HydrophobicContact CE-CE1 4.12Å; M219-F246 HydrophobicContact CE-CZ 3.9Å
220K98.2Very high98.1Very high124 Ų12457 Ų5754%0.53928%0.283SS..Hα-helixtrans-56.3-43.1173.1-179179.7177.5-176.10110.8D216 R217 I222 F223 Q224D216-K220 WeakPolarHBondContact O-CB 3.28Å; D216-K220 PolarHBondContact O-N 3.46Å; R217-K220 PolarHBondContact O-N 3.25Å; K220-I222 PolarHBondContact O-N 3.46Å; K220-F223 PolarHBondContact O-N 3.25Å; K220-Q224 VanDerWaalsContact CE-NE2 3.32Å; K220-Q224 HydrophobicContact CG-CG 4.39Å; K220-Q224 WeakPolarHBondContact O-CB 3.03Å; K220-Q224 VanDerWaalsContact O-CG 3.22Å; K220-Q224 WeakPolarHBondContact O-CG 3.5Å; K220-Q224 PolarHBondContact O-N 3.13Å
221R97.8Very high98.1Very high30 Ų3058.3 Ų58.311%0.11329%0.292CS..Hα-helixtrans-59-45.9175.117265.5-172.4110.9-8.2111.9L85 E87 E90 L171 R217 A218 M219 Q224 R225L85-R221 PolarHBondContact O-NE 3.3Å; E87-R221 IonicContact OE1-CZ 2.89Å; E87-R221 IonicContact OE1-NH1 3.72Å; E87-R221 PolarHBondContact OE1-NH1 2.96Å; E87-R221 IonicContact OE1-NH2 3.77Å; E87-R221 PolarHBondContact OE1-NH2 2.99Å; E90-R221 IonicContact OE1-CZ 3.87Å; E90-R221 IonicContact OE1-NH2 2.68Å; E90-R221 PolarHBondContact OE1-NH2 2.87Å; E90-R221 VanDerWaalsContact OE1-NH2 3.1Å; E90-R221 IonicContact OE2-CZ 3.85Å; E90-R221 IonicContact OE2-NH2 3.36Å; E90-R221 PolarHBondContact OE2-NH2 3.48Å; L171-R221 HydrophobicContact CD1-CB 3.98Å; L171-R221 HydrophobicContact CD1-CG 3.96Å; R217-R221 PolarHBondContact O-N 2.76Å; A218-R221 WeakPolarHBondContact O-CB 3.29Å; A218-R221 PolarHBondContact O-N 3.36Å; M219-R221 PolarHBondContact O-N 2.84Å; R221-Q224 PolarHBondContact O-N 3.42Å; R221-R225 WeakPolarHBondContact O-CG 3.49Å; R221-R225 PolarHBondContact O-N 2.93Å
222I98.3Very high98.1Very high12 Ų1265 Ų656%0.06232%0.321CS..Hα-helixtrans-60-45.8179.2-68.6169.7000110.8N84 L85 L214 A218 M219 K220 Q224 R225 L236 A237N84-I222 HydrophobicContact CB-CD1 3.9Å; N84-I222 HydrophobicContact CB-CG1 4Å; L85-I222 HydrophobicContact CD2-CD1 4.19Å; L85-I222 HydrophobicContact CD2-CG1 4.2Å; L214-I222 HydrophobicContact CD2-CD1 3.64Å; A218-I222 WeakPolarHBondContact O-CG1 3.17Å; A218-I222 PolarHBondContact O-N 2.87Å; M219-I222 WeakPolarHBondContact O-CB 3.43Å; M219-I222 PolarHBondContact O-N 3.23Å; M219-I222 VanDerWaalsContact O-N 3.11Å; M219-I222 HydrophobicContact SD-CD1 3.82Å; K220-I222 PolarHBondContact O-N 3.46Å; I222-Q224 VanDerWaalsContact C-N 3.3Å; I222-Q224 PolarHBondContact O-N 3.39Å; I222-R225 WeakPolarHBondContact O-CD 3.3Å; I222-R225 VanDerWaalsContact O-CG 3.26Å; I222-R225 WeakPolarHBondContact O-CG 3.17Å; I222-R225 PolarHBondContact O-N 3.49Å; I222-L236 HydrophobicContact CD1-CB 4.23Å; I222-L236 HydrophobicContact CD1-CD1 4.09Å; I222-A237 HydrophobicContact CG2-CB 4.38Å
223F97.8Very high98.1Very high118 Ų11869.6 Ų69.652%0.51834%0.339SS..Hα-helixtrans-71.4-21.7179.4-70.6-57.1000114.6M219 K220 A237 F246M219-F223 HydrophobicContact CB-CD2 4.44Å; M219-F223 HydrophobicContact CB-CE2 4.27Å; M219-F223 HydrophobicContact CE-CD2 4.38Å; M219-F223 HydrophobicContact CE-CE2 3.54Å; M219-F223 HydrophobicContact CE-CZ 3.75Å; M219-F223 WeakPolarHBondContact O-CD2 3.26Å; M219-F223 PolarHBondContact O-N 2.89Å; K220-F223 PolarHBondContact O-N 3.25Å; F223-A237 HydrophobicContact CE1-CB 3.85Å; F223-A237 HydrophobicContact CZ-CB 4.33Å; F223-F246 AromaticContact CE2-CE1 3.8Å; F223-F246 HydrophobicContact CE2-CE1 3.8Å; F223-F246 HydrophobicContact CE2-CZ 4.31Å; F223-F246 HydrophobicContact CZ-CD1 4.33Å; F223-F246 AromaticContact CZ-CE1 3.36Å; F223-F246 HydrophobicContact CZ-CE1 3.36Å; F223-F246 AromaticContact CZ-CZ 3.56Å; F223-F246 HydrophobicContact CZ-CZ 3.56Å
224Q97.6Very high98.1Very high126 Ų12670.1 Ų70.159%0.58934%0.342SS*.THydrogen-bonded Turntrans-97.96.4-178.7-68.7-177.7-20.400113.6K220 R221 I222K220-Q224 VanDerWaalsContact CE-NE2 3.32Å; K220-Q224 HydrophobicContact CG-CG 4.39Å; K220-Q224 WeakPolarHBondContact O-CB 3.03Å; K220-Q224 VanDerWaalsContact O-CG 3.22Å; K220-Q224 WeakPolarHBondContact O-CG 3.5Å; K220-Q224 PolarHBondContact O-N 3.13Å; R221-Q224 PolarHBondContact O-N 3.42Å; I222-Q224 VanDerWaalsContact C-N 3.3Å; I222-Q224 PolarHBondContact O-N 3.39Å
225R97.8Very high98.1Very high35 Ų3571.1 Ų71.113%0.13235%0.347CS..  trans-58.7149.8174.9-65.4173.868.987.3-0.9111.5V83 N84 L86 E87 R221 I222 T227V83-R225 PolarHBondContact O-NH1 3.19Å; V83-R225 PolarHBondContact O-NH2 3.08Å; N84-R225 VanDerWaalsContact C-NH1 3.29Å; N84-R225 WeakPolarHBondContact O-CD 3.48Å; N84-R225 PolarHBondContact O-NH1 2.9Å; L86-R225 VanDerWaalsContact O-CZ 3.31Å; L86-R225 PolarHBondContact O-NH1 3.08Å; L86-R225 PolarHBondContact O-NH2 3.41Å; E87-R225 HydrophobicContact CG-CB 4.48Å; E87-R225 HydrophobicContact CG-CG 4.41Å; E87-R225 VanDerWaalsContact CG-CZ 3.42Å; E87-R225 VanDerWaalsContact CG-NH2 3.31Å; E87-R225 WeakPolarHBondContact OE1-CA 3.5Å; R221-R225 WeakPolarHBondContact O-CG 3.49Å; R221-R225 PolarHBondContact O-N 2.93Å; I222-R225 WeakPolarHBondContact O-CD 3.3Å; I222-R225 VanDerWaalsContact O-CG 3.26Å; I222-R225 WeakPolarHBondContact O-CG 3.17Å; I222-R225 PolarHBondContact O-N 3.49Å; R225-T227 WeakPolarHBondContact CB-O 3.46Å; R225-T227 PolarHBondContact NE-O 2.98Å
226K98Very high98.1Very high195 Ų19570.4 Ų70.485%0.84834%0.342SS*.SBendtrans-86.7-27.1173.7-57176.9-177175.30111.9E87E87-K226 PolarHBondContact OE1-N 3.02Å; E87-K226 WeakPolarHBondContact OE2-CA 3.33Å; E87-K226 WeakPolarHBondContact OE2-CB 3.47Å; E87-K226 PolarHBondContact OE2-N 3.07Å
227T97.7Very high98Very high77 Ų7766.1 Ų66.147%0.47232%0.322SS..SBendtrans-123.1143.2177.557.40000111.4E87 R225E87-T227 PolarHBondContact OE2-N 3.49Å; E87-T227 PolarHBondContact OE2-OG1 3.09Å; E87-T227 VanDerWaalsContact OE2-OG1 3.11Å; R225-T227 WeakPolarHBondContact CB-O 3.46Å; R225-T227 PolarHBondContact NE-O 2.98Å
228N97.1Very high98Very high146 Ų14665.5 Ų65.578%0.78133%0.325SS*.  trans-61149.8174.4-67.5-16.5000110.5
229P97.7Very high98Very high16 Ų1665.6 Ų65.610%0.10433%0.325CS..  trans-51.5142.6167.2-24.234.7000110.9V83 N84 S231 D235V83-P229 HydrophobicContact CG1-CB 4.44Å; V83-P229 HydrophobicContact CG2-CB 4.11Å; N84-P229 VanDerWaalsContact OD1-CG 3.31Å; N84-P229 WeakPolarHBondContact OD1-CG 3.48Å; P229-S231 PolarHBondContact O-N 2.94Å; P229-D235 HydrophobicContact CG-CB 4.49Å
230S96.2Very high98Very high109 Ų10965.4 Ų65.476%0.76232%0.324SS*.SBendtrans-69.6-15.4-178.259.20000113.6V83V83-S230 WeakPolarHBondContact CG2-OG 3.42Å
231S98.2Very high98Very high27 Ų2760.1 Ų60.119%0.18930%0.301CS..  trans-114.2116.2177.4179.30000110.5P229 L234 D235P229-S231 PolarHBondContact O-N 2.94Å; S231-L234 PolarHBondContact OG-N 2.94Å; S231-D235 PolarHBondContact O-N 2.81Å; S231-D235 VanDerWaalsContact O-N 3.17Å
232F98.6Very high98Very high140 Ų14058.7 Ų58.761%0.61430%0.296SS*.SBendtrans-61.3-46.5169.6176.4-90000111L234 D235 L238 H253F232-L234 PolarHBondContact O-N 2.89Å; F232-D235 WeakPolarHBondContact O-CB 3.38Å; F232-D235 PolarHBondContact O-N 2.96Å; F232-D235 VanDerWaalsContact O-N 3.14Å; F232-L238 HydrophobicContact CD2-CD1 3.59Å; F232-L238 HydrophobicContact CE2-CD1 3.39Å; F232-L238 HydrophobicContact CG-CD1 4.36Å; F232-L238 HydrophobicContact CZ-CD1 4.02Å; F232-H253 AromaticContact CD1-NE2 3.8Å; F232-H253 AromaticContact CE1-CD2 3.49Å; F232-H253 VanDerWaalsContact CE1-CD2 3.49Å; F232-H253 WeakPolarHBondContact CE1-CD2 3.2Å; F232-H253 AromaticContact CE1-NE2 3.56Å; F232-H253 AromaticContact CZ-CD2 3.71Å; F232-H253 PolarHBondContact O-NE2 3.04Å; F232-H253 VanDerWaalsContact O-NE2 3.11Å
233Y98.6Very high98Very high98 Ų9858.2 Ų58.238%0.38429%0.294SS..THydrogen-bonded Turntrans-64.6-26.1-175.4-169.9-101.9000113.2T71 H253 H254T71-Y233 WeakPolarHBondContact CB-OH 3.43Å; T71-Y233 VanDerWaalsContact CG2-OH 3.29Å; T71-Y233 WeakPolarHBondContact CG2-OH 3.5Å; T71-Y233 WeakPolarHBondContact O-CE1 3.37Å; T71-Y233 PolarHBondContact O-OH 3.34Å; Y233-H253 PolarHBondContact O-CE1 2.82Å; Y233-H254 HydrophobicContact CD2-CB 4.26Å; Y233-H254 HydrophobicContact CE2-CB 3.75Å; Y233-H254 AromaticContact CE2-CD2 3.9Å; Y233-H254 AromaticContact CE2-CG 3.63Å
234L98.6Very high98Very high11 Ų1153.5 Ų53.56%0.05828%0.278CS..THydrogen-bonded Turntrans-10712.1179.2-58.3-179.9000112.9I70 A76 E79 A80 V83 N84 S231 F232 L236I70-L234 HydrophobicContact CG2-CD2 3.95Å; A76-L234 HydrophobicContact CB-CD2 4.34Å; E79-L234 HydrophobicContact CB-CD1 3.96Å; E79-L234 HydrophobicContact CG-CD1 3.73Å; A80-L234 HydrophobicContact CB-CB 3.99Å; A80-L234 HydrophobicContact CB-CD2 4.39Å; V83-L234 HydrophobicContact CG1-CB 4.35Å; N84-L234 PolarHBondContact ND2-O 3.05Å; S231-L234 PolarHBondContact OG-N 2.94Å; F232-L234 PolarHBondContact O-N 2.89Å; L234-L236 PolarHBondContact O-N 2.88Å
235D98.6Very high98.1Very high22 Ų2247.6 Ų47.612%0.11825%0.251CS..  trans-68.7113175.7-173.8-47.3000110P229 S231 F232 A237 L238 I239P229-D235 HydrophobicContact CG-CB 4.49Å; S231-D235 PolarHBondContact O-N 2.81Å; S231-D235 VanDerWaalsContact O-N 3.17Å; F232-D235 WeakPolarHBondContact O-CB 3.38Å; F232-D235 PolarHBondContact O-N 2.96Å; F232-D235 VanDerWaalsContact O-N 3.14Å; D235-A237 VanDerWaalsContact C-N 3.29Å; D235-A237 PolarHBondContact O-N 2.94Å; D235-A237 WeakPolarHBondContact OD1-CA 3.33Å; D235-A237 WeakPolarHBondContact OD1-CB 3.45Å; D235-A237 PolarHBondContact OD1-N 3.21Å; D235-L238 HydrophobicContact CB-CB 4.12Å; D235-L238 HydrophobicContact CB-CD1 3.91Å; D235-L238 HydrophobicContact CB-CG 3.93Å; D235-L238 PolarHBondContact O-N 3.26Å; D235-L238 PolarHBondContact OD1-N 2.87Å; D235-L238 VanDerWaalsContact OD1-N 3.09Å; D235-I239 VanDerWaalsContact O-CG1 3.22Å; D235-I239 WeakPolarHBondContact O-CG1 3.3Å; D235-I239 PolarHBondContact O-N 2.88Å
236L98.7Very high98Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-71.3-23.9-173.6-69.2176.2000112.7I70 A80 N84 I212 L214 I222 L234 I239 G240I70-L236 HydrophobicContact CD1-CD2 4.03Å; I70-L236 HydrophobicContact CG1-CD2 4.43Å; A80-L236 HydrophobicContact CB-CD2 4.08Å; A80-L236 HydrophobicContact CB-CG 4.41Å; N84-L236 HydrophobicContact CB-CB 4.38Å; N84-L236 HydrophobicContact CB-CD1 3.79Å; N84-L236 HydrophobicContact CB-CG 4.13Å; N84-L236 PolarHBondContact OD1-N 2.91Å; I212-L236 HydrophobicContact CD1-CD1 4.21Å; I212-L236 HydrophobicContact CD1-CD2 4.14Å; L214-L236 HydrophobicContact CD1-CD1 4.07Å; L214-L236 HydrophobicContact CD2-CD1 3.67Å; L214-L236 HydrophobicContact CG-CD1 4.49Å; I222-L236 HydrophobicContact CD1-CB 4.23Å; I222-L236 HydrophobicContact CD1-CD1 4.09Å; L234-L236 PolarHBondContact O-N 2.88Å; L236-I239 HydrophobicContact CD2-CD1 4.36Å; L236-G240 WeakPolarHBondContact O-CA 3.16Å; L236-G240 PolarHBondContact O-N 3.06Å
237A97.8Very high97.8Very high21 Ų2145.1 Ų45.117%0.17425%0.248CC..Hα-helixtrans-71.9-40.6172.600000110.5I222 F223 D235 N241 F246I222-A237 HydrophobicContact CG2-CB 4.38Å; F223-A237 HydrophobicContact CE1-CB 3.85Å; F223-A237 HydrophobicContact CZ-CB 4.33Å; D235-A237 VanDerWaalsContact C-N 3.29Å; D235-A237 PolarHBondContact O-N 2.94Å; D235-A237 WeakPolarHBondContact OD1-CA 3.33Å; D235-A237 WeakPolarHBondContact OD1-CB 3.45Å; D235-A237 PolarHBondContact OD1-N 3.21Å; A237-N241 PolarHBondContact O-N 3.3Å; A237-N241 VanDerWaalsContact O-N 3.11Å; A237-F246 VanDerWaalsContact O-CE2 3.3Å; A237-F246 WeakPolarHBondContact O-CE2 3.48Å
238L98.2Very high97.7Very high66 Ų6646.3 Ų46.335%0.34625%0.248SC..Hα-helixtrans-69.8-44.8176.5-60.1-177.4000112.2F232 D235 G240 N241 Y242F232-L238 HydrophobicContact CD2-CD1 3.59Å; F232-L238 HydrophobicContact CE2-CD1 3.39Å; F232-L238 HydrophobicContact CG-CD1 4.36Å; F232-L238 HydrophobicContact CZ-CD1 4.02Å; D235-L238 HydrophobicContact CB-CB 4.12Å; D235-L238 HydrophobicContact CB-CD1 3.91Å; D235-L238 HydrophobicContact CB-CG 3.93Å; D235-L238 PolarHBondContact O-N 3.26Å; D235-L238 PolarHBondContact OD1-N 2.87Å; D235-L238 VanDerWaalsContact OD1-N 3.09Å; L238-G240 VanDerWaalsContact C-N 3.34Å; L238-G240 PolarHBondContact O-N 3.42Å; L238-N241 PolarHBondContact O-N 2.83Å; L238-Y242 PolarHBondContact O-N 3Å
239I98.3Very high97.7Very high1 Ų144.5 Ų44.51%0.00524%0.244CC..Hα-helixtrans-61.6-45175.2-60.5163.7000109.8M68 I70 D235 L236 N241 Y242 W243 H253M68-I239 HydrophobicContact SD-CB 4.09Å; M68-I239 HydrophobicContact SD-CG2 3.52Å; M68-I239 VanDerWaalsContact SD-CG2 3.52Å; I70-I239 HydrophobicContact CG1-CD1 4.38Å; D235-I239 VanDerWaalsContact O-CG1 3.22Å; D235-I239 WeakPolarHBondContact O-CG1 3.3Å; D235-I239 PolarHBondContact O-N 2.88Å; L236-I239 HydrophobicContact CD2-CD1 4.36Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 3.1Å; I239-Y242 PolarHBondContact O-N 3.38Å; I239-Y242 VanDerWaalsContact O-N 3.16Å; I239-W243 VanDerWaalsContact CG2-CD1 3.5Å; I239-W243 VanDerWaalsContact O-CD1 3.29Å; I239-W243 PolarHBondContact O-N 2.88Å; I239-H253 VanDerWaalsContact CG1-CE1 3.42Å; I239-H253 WeakPolarHBondContact CG1-CE1 3.49Å
240G98.4Very high97.7Very high0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-58.2-36.617800000113.2L236 L238 W243 G244 C245 F246L236-G240 WeakPolarHBondContact O-CA 3.16Å; L236-G240 PolarHBondContact O-N 3.06Å; L238-G240 VanDerWaalsContact C-N 3.34Å; L238-G240 PolarHBondContact O-N 3.42Å; G240-W243 CarbonylContact O-C 3.59Å; G240-W243 PolarHBondContact O-N 3.33Å; G240-G244 PolarHBondContact O-N 3.28Å; G240-G244 VanDerWaalsContact O-N 3.09Å; G240-C245 VanDerWaalsContact O-CB 3.32Å; G240-C245 WeakPolarHBondContact O-CB 3.32Å; G240-C245 PolarHBondContact O-N 3.39Å; G240-F246 VanDerWaalsContact C-CE2 3.43Å
241N98.2Very high97.8Very high12 Ų1246.6 Ų46.66%0.06424%0.236CC..Hα-helixtrans-67-46176.4175.5-81.1000111.1A237 L238 I239 W243 G244 F246 E248 P249 K251A237-N241 PolarHBondContact O-N 3.3Å; A237-N241 VanDerWaalsContact O-N 3.11Å; L238-N241 PolarHBondContact O-N 2.83Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 3.1Å; N241-W243 VanDerWaalsContact C-N 3.28Å; N241-W243 PolarHBondContact O-N 2.86Å; N241-G244 PolarHBondContact O-N 3Å; N241-F246 HydrophobicContact CB-CD2 3.88Å; N241-F246 HydrophobicContact CB-CE2 4.09Å; N241-F246 VanDerWaalsContact N-CE2 3.27Å; N241-E248 PolarHBondContact ND2-OE2 2.9Å; N241-P249 PolarHBondContact ND2-O 2.98Å; N241-P249 PolarHBondContact OD1-O 2.9Å; N241-K251 VanDerWaalsContact OD1-CB 3.25Å; N241-K251 WeakPolarHBondContact OD1-CB 3.25Å; N241-K251 WeakPolarHBondContact OD1-CG 3.49Å; N241-K251 PolarHBondContact OD1-N 3.2Å
242Y98.3Very high97.7Very high0 Ų051.5 Ų51.50%025%0.252CS..Hα-helixtrans-60.9-38.4175.8176.8-117.3000112.3Y40 L41 F45 M49 L238 I239 G244 R250 K251 H253 A256Y40-Y242 WeakPolarHBondContact O-CE2 3.38Å; Y40-Y242 PolarHBondContact O-OH 3.32Å; L41-Y242 HydrophobicContact CD2-CD2 4.14Å; L41-Y242 HydrophobicContact CD2-CE2 3.82Å; L41-Y242 HydrophobicContact CG-CE2 4.41Å; F45-Y242 WeakPolarHBondContact CE1-OH 3.42Å; M49-Y242 HydrophobicContact CE-CD1 3.9Å; M49-Y242 HydrophobicContact CE-CE1 3.62Å; M49-Y242 HydrophobicContact SD-CE1 4.4Å; L238-Y242 PolarHBondContact O-N 3Å; I239-Y242 PolarHBondContact O-N 3.38Å; I239-Y242 VanDerWaalsContact O-N 3.16Å; Y242-G244 PolarHBondContact O-N 3.43Å; Y242-R250 WeakPolarHBondContact O-CD 3.41Å; Y242-R250 PolarHBondContact O-NH1 2.94Å; Y242-K251 WeakPolarHBondContact CD2-O 3.37Å; Y242-H253 HydrophobicContact CG-CB 4.41Å; Y242-A256 HydrophobicContact CE1-CB 4.01Å; Y242-A256 WeakPolarHBondContact OH-CB 3.25Å
243W98.4Very high97.7Very high3 Ų345.5 Ų45.51%0.01123%0.226CC..THydrogen-bonded Turntrans-77.11.4174.7-79.783.2000114.5M49 V52 K53 M68 A69 I239 G240 N241 C245 R250M49-W243 HydrophobicContact CB-CE3 4.14Å; M49-W243 HydrophobicContact CB-CZ3 4.11Å; M49-W243 HydrophobicContact CE-CB 4.33Å; M49-W243 HydrophobicContact CE-CD2 3.56Å; M49-W243 HydrophobicContact CE-CE3 3.93Å; M49-W243 HydrophobicContact CE-CG 3.74Å; M49-W243 HydrophobicContact CE-CZ2 4.42Å; M49-W243 HydrophobicContact CE-CZ3 4.49Å; M49-W243 HydrophobicContact CG-CZ3 4.46Å; V52-W243 HydrophobicContact CB-CZ3 4.28Å; V52-W243 HydrophobicContact CG1-CH2 4.11Å; V52-W243 HydrophobicContact CG1-CZ3 3.94Å; K53-W243 HydrophobicContact CD-CE3 4.05Å; K53-W243 WeakPolarHBondContact CD-O 3.44Å; K53-W243 WeakPolarHBondContact CE-O 3.49Å; K53-W243 HydrophobicContact CG-CE3 3.8Å; K53-W243 HydrophobicContact CG-CZ3 4.2Å; K53-W243 PolarHBondContact NZ-O 3.48Å; M68-W243 HydrophobicContact CB-CB 3.91Å; M68-W243 HydrophobicContact CB-CD2 3.7Å; M68-W243 HydrophobicContact CB-CE3 3.99Å; M68-W243 HydrophobicContact CB-CG 3.67Å; M68-W243 HydrophobicContact SD-CB 4.5Å; A69-W243 HydrophobicContact CB-CH2 3.67Å; A69-W243 HydrophobicContact CB-CZ2 3.7Å; A69-W243 WeakPolarHBondContact O-CZ2 3.31Å; A69-W243 PolarHBondContact O-NE1 3.02Å; A69-W243 VanDerWaalsContact O-NE1 3.08Å; I239-W243 VanDerWaalsContact CG2-CD1 3.5Å; I239-W243 VanDerWaalsContact O-CD1 3.29Å; I239-W243 PolarHBondContact O-N 2.88Å; G240-W243 CarbonylContact O-C 3.59Å; G240-W243 PolarHBondContact O-N 3.33Å; N241-W243 VanDerWaalsContact C-N 3.28Å; N241-W243 PolarHBondContact O-N 2.86Å; W243-C245 VanDerWaalsContact C-N 3.32Å; W243-C245 PolarHBondContact O-N 3.32Å; W243-R250 PolarHBondContact O-NH1 2.97Å
244G98Very high97.7Very high19 Ų1941.5 Ų41.520%0.19621%0.21CC..THydrogen-bonded Turntrans65.436.617700000112.3K53 G240 N241 Y242 F246K53-G244 PolarHBondContact NZ-O 3.46Å; G240-G244 PolarHBondContact O-N 3.28Å; G240-G244 VanDerWaalsContact O-N 3.09Å; N241-G244 PolarHBondContact O-N 3Å; Y242-G244 PolarHBondContact O-N 3.43Å; G244-F246 VanDerWaalsContact C-N 3.27Å
245C98.2Very high97.6Very high2 Ų244.7 Ų44.71%0.01423%0.23CC..  trans-80.5-11.5176.1-59.90000112.4F66 G240 W243F66-C245 HydrophobicContact CD1-CB 3.77Å; F66-C245 HydrophobicContact CE1-CB 4.21Å; G240-C245 VanDerWaalsContact O-CB 3.32Å; G240-C245 WeakPolarHBondContact O-CB 3.32Å; G240-C245 PolarHBondContact O-N 3.39Å; W243-C245 VanDerWaalsContact C-N 3.32Å; W243-C245 PolarHBondContact O-N 3.32Å
246F96.3Very high97.5Very high38 Ų3844 Ų4417%0.16723%0.228CC..SBendtrans-114.7160.2178.4-49.5-68.4000111.2F66 M219 F223 A237 G240 N241 G244 E248F66-F246 AromaticContact CD1-CE1 3.87Å; F66-F246 HydrophobicContact CD1-CE1 3.87Å; F66-F246 HydrophobicContact CD1-CZ 4.19Å; F66-F246 AromaticContact CE1-CD1 3.59Å; F66-F246 HydrophobicContact CE1-CD1 3.59Å; F66-F246 AromaticContact CE1-CE1 3.12Å; F66-F246 HydrophobicContact CE1-CE1 3.12Å; F66-F246 AromaticContact CE1-CZ 3.89Å; F66-F246 HydrophobicContact CE1-CZ 3.89Å; F66-F246 HydrophobicContact CZ-CD1 4.32Å; F66-F246 AromaticContact CZ-CE1 3.96Å; F66-F246 HydrophobicContact CZ-CE1 3.96Å; M219-F246 HydrophobicContact CE-CE1 4.12Å; M219-F246 HydrophobicContact CE-CZ 3.9Å; F223-F246 AromaticContact CE2-CE1 3.8Å; F223-F246 HydrophobicContact CE2-CE1 3.8Å; F223-F246 HydrophobicContact CE2-CZ 4.31Å; F223-F246 HydrophobicContact CZ-CD1 4.33Å; F223-F246 AromaticContact CZ-CE1 3.36Å; F223-F246 HydrophobicContact CZ-CE1 3.36Å; F223-F246 AromaticContact CZ-CZ 3.56Å; F223-F246 HydrophobicContact CZ-CZ 3.56Å; A237-F246 VanDerWaalsContact O-CE2 3.3Å; A237-F246 WeakPolarHBondContact O-CE2 3.48Å; G240-F246 VanDerWaalsContact C-CE2 3.43Å; N241-F246 HydrophobicContact CB-CD2 3.88Å; N241-F246 HydrophobicContact CB-CE2 4.09Å; N241-F246 VanDerWaalsContact N-CE2 3.27Å; G244-F246 VanDerWaalsContact C-N 3.27Å; F246-E248 HydrophobicContact CB-CB 4.44Å; F246-E248 HydrophobicContact CB-CG 4.43Å; F246-E248 PolarHBondContact O-N 3.1Å
247D94.4Very high97.4Very high140 Ų14046.2 Ų46.275%0.74924%0.243SC*.SBendtrans-7849.4172.6-59.4-49.3000111.3R65R65-D247 IonicContact CZ-OD1 2.73Å; R65-D247 IonicContact CZ-OD2 3.67Å; R65-D247 IonicContact NH1-OD1 3.38Å; R65-D247 IonicContact NH1-OD2 2.76Å; R65-D247 PolarHBondContact NH1-OD2 3.4Å; R65-D247 IonicContact NH2-OD1 3.59Å; R65-D247 PolarHBondContact NH2-OD1 3.26Å; R65-D247 IonicContact NH2-OD2 2.71Å; R65-D247 PolarHBondContact NH2-OD2 3.06Å; R65-D247 VanDerWaalsContact NH2-OD2 3.08Å
248E95.4Very high97.3Very high102 Ų10245.7 Ų45.748%0.47724%0.237SC..SBendtrans-132.9155.6-179.7-68.5-173.4-166.300110.7N241 F246 R250 K251N241-E248 PolarHBondContact ND2-OE2 2.9Å; F246-E248 HydrophobicContact CB-CB 4.44Å; F246-E248 HydrophobicContact CB-CG 4.43Å; F246-E248 PolarHBondContact O-N 3.1Å; E248-R250 PolarHBondContact O-N 2.93Å; E248-K251 IonicContact OE2-NZ 3.33Å; E248-K251 PolarHBondContact OE2-NZ 3.37Å
249P96.8Very high97.3Very high108 Ų10843.9 Ų43.970%0.70123%0.229SC*.PPolyproline II helixtrans-56.9137.8168.8-22.733.5000111.5N241 K251N241-P249 PolarHBondContact ND2-O 2.98Å; N241-P249 PolarHBondContact OD1-O 2.9Å; P249-K251 PolarHBondContact O-N 3.27Å
250R98.1Very high97.3Very high52 Ų5245.1 Ų45.120%0.19624%0.236CC..PPolyproline II helixtrans-62.7123.9173.5-63.1176.8-172.5-101.90.6109.5L41 D50 Y242 W243 E248L41-R250 HydrophobicContact CD2-CB 3.95Å; D50-R250 IonicContact OD1-CZ 2.83Å; D50-R250 IonicContact OD1-NH2 2.77Å; D50-R250 PolarHBondContact OD1-NH2 2.98Å; D50-R250 IonicContact OD2-NH2 3.82Å; D50-R250 PolarHBondContact OD2-NH2 3.24Å; Y242-R250 WeakPolarHBondContact O-CD 3.41Å; Y242-R250 PolarHBondContact O-NH1 2.94Å; W243-R250 PolarHBondContact O-NH1 2.97Å; E248-R250 PolarHBondContact O-N 2.93Å
251K97Very high97.3Very high116 Ų11645.2 Ų45.250%0.50424%0.236SC..PPolyproline II helixtrans-100.4147.7174.9-61.9158.6-173.8156.10108.9N241 Y242 E248 P249 H253N241-K251 VanDerWaalsContact OD1-CB 3.25Å; N241-K251 WeakPolarHBondContact OD1-CB 3.25Å; N241-K251 WeakPolarHBondContact OD1-CG 3.49Å; N241-K251 PolarHBondContact OD1-N 3.2Å; Y242-K251 WeakPolarHBondContact CD2-O 3.37Å; E248-K251 IonicContact OE2-NZ 3.33Å; E248-K251 PolarHBondContact OE2-NZ 3.37Å; P249-K251 PolarHBondContact O-N 3.27Å; K251-H253 PolarHBondContact O-N 2.6Å
252Y97.7Very high97.4Very high130 Ų13044.9 Ų44.951%0.5123%0.234SC..PPolyproline II helixtrans-62.5127.6171.1171.6-102.1000109.8Y40Y40-Y252 AromaticContact CD2-CD2 3.77Å; Y40-Y252 HydrophobicContact CD2-CD2 3.77Å; Y40-Y252 HydrophobicContact CD2-CE2 4.27Å; Y40-Y252 AromaticContact CE2-CD2 3.36Å; Y40-Y252 HydrophobicContact CE2-CD2 3.36Å; Y40-Y252 AromaticContact CE2-CE2 3.98Å; Y40-Y252 HydrophobicContact CE2-CE2 3.98Å; Y40-Y252 HydrophobicContact CE2-CG 4.23Å; Y40-Y252 AromaticContact CZ-CD2 3.95Å
253H97.8Very high97.4Very high14 Ų1444.9 Ų44.97%0.06523%0.234CC..  trans-115.2-61.6173.8174.7-129.8000110.4F232 Y233 I239 Y242 K251F232-H253 AromaticContact CD1-NE2 3.8Å; F232-H253 AromaticContact CE1-CD2 3.49Å; F232-H253 VanDerWaalsContact CE1-CD2 3.49Å; F232-H253 WeakPolarHBondContact CE1-CD2 3.2Å; F232-H253 AromaticContact CE1-NE2 3.56Å; F232-H253 AromaticContact CZ-CD2 3.71Å; F232-H253 PolarHBondContact O-NE2 3.04Å; F232-H253 VanDerWaalsContact O-NE2 3.11Å; Y233-H253 PolarHBondContact O-CE1 2.82Å; I239-H253 VanDerWaalsContact CG1-CE1 3.42Å; I239-H253 WeakPolarHBondContact CG1-CE1 3.49Å; Y242-H253 HydrophobicContact CG-CB 4.41Å; K251-H253 PolarHBondContact O-N 2.6Å
254H97.8Very high97.4Very high14 Ų1444.9 Ų44.97%0.06523%0.234CC..SBendtrans-147162.4170.363.1-87.2000109.5T71 Y233 A256T71-H254 WeakPolarHBondContact CB-NE2 3.39Å; T71-H254 PolarHBondContact OG1-NE2 3.5Å; Y233-H254 HydrophobicContact CD2-CB 4.26Å; Y233-H254 HydrophobicContact CE2-CB 3.75Å; Y233-H254 AromaticContact CE2-CD2 3.9Å; Y233-H254 AromaticContact CE2-CG 3.63Å; H254-A256 PolarHBondContact O-N 3.04Å
255T97.2Very high97.4Very high78 Ų7847.8 Ų47.848%0.47924%0.24SC..  trans-69112.8172.1-52.20000109.7Y40 M258Y40-T255 HydrophobicContact CD1-CG2 4.35Å; T255-M258 HydrophobicContact CG2-CE 4.36Å
256A95.6Very high97.4Very high8 Ų848.9 Ų48.97%0.06625%0.245CC..  trans-60157.7174.200000111.9F45 Y242 H254 M258F45-A256 HydrophobicContact CE1-CB 3.74Å; F45-A256 HydrophobicContact CZ-CB 3.71Å; Y242-A256 HydrophobicContact CE1-CB 4.01Å; Y242-A256 WeakPolarHBondContact OH-CB 3.25Å; H254-A256 PolarHBondContact O-N 3.04Å; A256-M258 HydrophobicContact CB-SD 4.11Å; A256-M258 PolarHBondContact O-N 2.75Å
257C96.6Very high97.5Very high47 Ų4747.3 Ų47.332%0.31824%0.238SC..  trans-88.781.5169.4-162.80000109.9T71 L260 V261T71-C257 HydrophobicContact CG2-CB 4.45Å; C257-L260 HydrophobicContact CB-CB 4.2Å; C257-L260 HydrophobicContact CB-CD1 4.01Å; C257-L260 HydrophobicContact CB-CG 4.17Å; C257-L260 PolarHBondContact O-N 3.3Å; C257-L260 VanDerWaalsContact SG-CG 3.55Å; C257-V261 PolarHBondContact O-N 3.38Å; C257-V261 VanDerWaalsContact O-N 3.12Å
258M97.5Very high97.7Very high9 Ų941 Ų414%0.04420%0.204CC..Hα-helixtrans-47-49.3-175.2-72.467.294.400113.3M37 T38 F45 T255 A256 L260 V261 Y262M37-M258 HydrophobicContact CE-CB 4.25Å; M37-M258 HydrophobicContact CE-CE 3.6Å; T38-M258 WeakPolarHBondContact O-CE 3.25Å; F45-M258 HydrophobicContact CD1-CG 4.28Å; F45-M258 HydrophobicContact CD2-CB 4.38Å; F45-M258 HydrophobicContact CD2-CG 3.7Å; F45-M258 HydrophobicContact CE1-CG 4.08Å; F45-M258 HydrophobicContact CE1-SD 4.23Å; F45-M258 HydrophobicContact CE2-CB 3.98Å; F45-M258 HydrophobicContact CE2-CG 3.51Å; F45-M258 HydrophobicContact CG-CG 4.1Å; F45-M258 HydrophobicContact CZ-CB 4.42Å; F45-M258 HydrophobicContact CZ-CG 3.69Å; F45-M258 HydrophobicContact CZ-SD 4.16Å; T255-M258 HydrophobicContact CG2-CE 4.36Å; A256-M258 HydrophobicContact CB-SD 4.11Å; A256-M258 PolarHBondContact O-N 2.75Å; M258-L260 VanDerWaalsContact C-N 3.31Å; M258-L260 PolarHBondContact O-N 3.28Å; M258-V261 WeakPolarHBondContact O-CB 3.37Å; M258-V261 PolarHBondContact O-N 3.34Å; M258-Y262 HydrophobicContact CB-CE1 4.14Å; M258-Y262 HydrophobicContact CB-CE2 4.19Å; M258-Y262 WeakPolarHBondContact O-CD1 3.36Å; M258-Y262 PolarHBondContact O-N 2.83Å
259P98Very high97.9Very high29 Ų2941.1 Ų41.119%0.18820%0.2CC..Hα-helixtrans-60.3-36.3179.9-24.936000114L33 M37 Y262 A263L33-P259 HydrophobicContact CD2-CB 4.34Å; M37-P259 HydrophobicContact SD-CG 3.69Å; P259-Y262 PolarHBondContact O-N 3.07Å; P259-A263 PolarHBondContact O-N 3.34Å
260L98.2Very high98Very high26 Ų2638.3 Ų38.314%0.13618%0.18CC..Hα-helixtrans-69.9-37.2176.5-64.2-175.9000111.3L33 P206 L209 C257 M258 Y262 A263 V264L33-L260 HydrophobicContact CD2-CD2 4.27Å; P206-L260 HydrophobicContact CB-CD2 3.77Å; P206-L260 HydrophobicContact CG-CD2 4.08Å; L209-L260 HydrophobicContact CD1-CB 3.52Å; L209-L260 WeakPolarHBondContact CD1-O 3.26Å; L209-L260 HydrophobicContact CG-CB 3.86Å; L209-L260 HydrophobicContact CG-CD1 4.41Å; C257-L260 HydrophobicContact CB-CB 4.2Å; C257-L260 HydrophobicContact CB-CD1 4.01Å; C257-L260 HydrophobicContact CB-CG 4.17Å; C257-L260 PolarHBondContact O-N 3.3Å; C257-L260 VanDerWaalsContact SG-CG 3.55Å; M258-L260 VanDerWaalsContact C-N 3.31Å; M258-L260 PolarHBondContact O-N 3.28Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; L260-A263 PolarHBondContact O-N 3.37Å; L260-V264 WeakPolarHBondContact O-CG2 3.48Å; L260-V264 PolarHBondContact O-N 3.48Å
261V98.5Very high98Very high2 Ų236.4 Ų36.41%0.01218%0.175CC..Hα-helixtrans-64.8-40.3175.8179.80000110.1F45 I48 V52 L209 C257 M258 V264 R265F45-V261 HydrophobicContact CE2-CB 4Å; F45-V261 HydrophobicContact CE2-CG1 3.99Å; F45-V261 HydrophobicContact CE2-CG2 4.35Å; F45-V261 HydrophobicContact CZ-CB 4.27Å; F45-V261 HydrophobicContact CZ-CG1 4.31Å; F45-V261 HydrophobicContact CZ-CG2 4.11Å; I48-V261 HydrophobicContact CG2-CG1 4Å; V52-V261 HydrophobicContact CG2-CG1 3.98Å; L209-V261 HydrophobicContact CD1-CB 4.45Å; L209-V261 HydrophobicContact CD1-CG2 3.87Å; C257-V261 PolarHBondContact O-N 3.38Å; C257-V261 VanDerWaalsContact O-N 3.12Å; M258-V261 WeakPolarHBondContact O-CB 3.37Å; M258-V261 PolarHBondContact O-N 3.34Å; V261-V264 PolarHBondContact O-N 3.41Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 PolarHBondContact O-N 3.05Å
262Y98.5Very high98Very high6 Ų634.6 Ų34.62%0.02417%0.173CC..Hα-helixtrans-60.8-46.6174.2-53.3-21.9000111.7M35 P36 T38 F45 I48 M258 P259 L260 V264 R265 E266M35-Y262 HydrophobicContact CB-CD2 3.77Å; M35-Y262 HydrophobicContact CB-CE2 3.99Å; M35-Y262 HydrophobicContact SD-CD2 4.32Å; M35-Y262 HydrophobicContact SD-CG 4.42Å; P36-Y262 WeakPolarHBondContact O-CE2 3.5Å; P36-Y262 PolarHBondContact O-OH 2.99Å; T38-Y262 WeakPolarHBondContact CG2-OH 3.43Å; T38-Y262 PolarHBondContact OG1-OH 3.38Å; F45-Y262 AromaticContact CD2-CE1 3.84Å; F45-Y262 HydrophobicContact CD2-CE1 3.84Å; F45-Y262 HydrophobicContact CE2-CE1 4.05Å; I48-Y262 HydrophobicContact CD1-CD1 3.87Å; I48-Y262 HydrophobicContact CD1-CE1 3.63Å; I48-Y262 HydrophobicContact CG2-CD1 4.12Å; M258-Y262 HydrophobicContact CB-CE1 4.14Å; M258-Y262 HydrophobicContact CB-CE2 4.19Å; M258-Y262 WeakPolarHBondContact O-CD1 3.36Å; M258-Y262 PolarHBondContact O-N 2.83Å; P259-Y262 PolarHBondContact O-N 3.07Å; L260-Y262 VanDerWaalsContact C-N 3.32Å; Y262-V264 VanDerWaalsContact C-N 3.35Å; Y262-V264 PolarHBondContact O-N 2.9Å; Y262-R265 WeakPolarHBondContact O-CB 3.46Å; Y262-R265 PolarHBondContact O-N 3.34Å; Y262-E266 PolarHBondContact O-N 2.93Å
263A98.6Very high98.1Very high0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-61.1-42.9178.200000112.2A29 L33 C205 P259 L260 E266 S267A29-A263 HydrophobicContact CB-CB 4.19Å; A29-A263 WeakPolarHBondContact CB-O 3.47Å; A29-A263 WeakPolarHBondContact O-CB 3.46Å; L33-A263 HydrophobicContact CD2-CB 3.85Å; L33-A263 HydrophobicContact CG-CB 4.41Å; C205-A263 PolarHBondContact SG-O 2.94Å; P259-A263 PolarHBondContact O-N 3.34Å; L260-A263 PolarHBondContact O-N 3.37Å; A263-E266 PolarHBondContact O-N 2.77Å; A263-S267 PolarHBondContact O-N 2.88Å
264V98.7Very high98.1Very high2 Ų236.9 Ų36.91%0.01219%0.189CC..Hα-helixtrans-64.3-42.3174.9170.10000110.9V52 C205 L209 L260 V261 Y262 E266 S267 L268V52-V264 HydrophobicContact CG1-CG1 4.06Å; C205-V264 HydrophobicContact CB-CG2 4.24Å; L209-V264 HydrophobicContact CB-CG2 4.35Å; L209-V264 HydrophobicContact CD1-CB 4.47Å; L209-V264 HydrophobicContact CD1-CG2 3.83Å; L260-V264 WeakPolarHBondContact O-CG2 3.48Å; L260-V264 PolarHBondContact O-N 3.48Å; V261-V264 PolarHBondContact O-N 3.41Å; Y262-V264 VanDerWaalsContact C-N 3.35Å; Y262-V264 PolarHBondContact O-N 2.9Å; V264-E266 VanDerWaalsContact C-N 3.34Å; V264-E266 PolarHBondContact O-N 2.86Å; V264-S267 PolarHBondContact O-N 2.84Å; V264-L268 HydrophobicContact CG1-CD1 3.73Å; V264-L268 HydrophobicContact CG1-CG 4.17Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.41Å; V264-L268 PolarHBondContact O-N 2.96Å
265R98.7Very high98.1Very high81 Ų8137 Ų3731%0.30619%0.194SC..Hα-helixtrans-56.1-47.5175.6-174.6-87.4-167.6172.35.5111.7I48 E51 V52 V261 Y262 L268 R269I48-R265 HydrophobicContact CG2-CB 4.14Å; I48-R265 HydrophobicContact CG2-CG 4.2Å; E51-R265 HydrophobicContact CB-CG 4.42Å; E51-R265 IonicContact OE1-NH2 3.4Å; E51-R265 IonicContact OE2-CZ 3.56Å; E51-R265 IonicContact OE2-NE 2.62Å; E51-R265 PolarHBondContact OE2-NE 3.19Å; E51-R265 IonicContact OE2-NH2 2.65Å; E51-R265 PolarHBondContact OE2-NH2 3.49Å; V52-R265 HydrophobicContact CG2-CB 3.67Å; V52-R265 HydrophobicContact CG2-CG 4.29Å; V261-R265 WeakPolarHBondContact O-CB 3.39Å; V261-R265 PolarHBondContact O-N 3.05Å; Y262-R265 WeakPolarHBondContact O-CB 3.46Å; Y262-R265 PolarHBondContact O-N 3.34Å; R265-L268 PolarHBondContact O-N 3.29Å; R265-R269 WeakPolarHBondContact O-CB 3.35Å; R265-R269 PolarHBondContact O-N 3.47Å
266E98.7Very high98.2Very high25 Ų2533.8 Ų33.812%0.11717%0.173CC..Hα-helixtrans-66.7-36.5178.5-77.7-50.5105.500112.8A32 Y262 A263 V264 R269 N270A32-E266 HydrophobicContact CB-CB 4.42Å; A32-E266 HydrophobicContact CB-CG 3.93Å; Y262-E266 PolarHBondContact O-N 2.93Å; A263-E266 PolarHBondContact O-N 2.77Å; V264-E266 VanDerWaalsContact C-N 3.34Å; V264-E266 PolarHBondContact O-N 2.86Å; E266-R269 PolarHBondContact O-N 3.07Å; E266-R269 IonicContact OE2-CZ 2.85Å; E266-R269 IonicContact OE2-NH1 2.86Å; E266-R269 PolarHBondContact OE2-NH1 3.34Å; E266-N270 PolarHBondContact O-N 3.44Å; E266-N270 PolarHBondContact O-ND2 3.4Å
267S98.5Very high98.3Very high5 Ų539.5 Ų39.54%0.03520%0.203CC..Hα-helixtrans-62.2-46.1173.4172.40000112.1L203 C205 A263 V264 R269 N270 A271L203-S267 VanDerWaalsContact O-CB 3.26Å; L203-S267 WeakPolarHBondContact O-CB 3.06Å; L203-S267 PolarHBondContact O-OG 2.99Å; C205-S267 WeakPolarHBondContact SG-CB 3.43Å; A263-S267 PolarHBondContact O-N 2.88Å; V264-S267 PolarHBondContact O-N 2.84Å; S267-R269 VanDerWaalsContact C-N 3.31Å; S267-R269 PolarHBondContact O-N 3.48Å; S267-N270 WeakPolarHBondContact O-CB 3.35Å; S267-N270 PolarHBondContact O-N 3.31Å; S267-N270 VanDerWaalsContact O-N 3.12Å; S267-A271 PolarHBondContact O-N 2.85Å
268L98.8Very high98.4Very high6 Ų641.9 Ų41.93%0.03121%0.213CC..Hα-helixtrans-62.7-39.9177.1-65.2169.7000111.5V52 L56 M59 L203 V264 R265 N270 A271 V272V52-L268 HydrophobicContact CB-CD1 4.35Å; V52-L268 HydrophobicContact CG1-CD1 4.03Å; V52-L268 HydrophobicContact CG2-CD1 4.45Å; L56-L268 HydrophobicContact CD2-CD1 4.01Å; L56-L268 HydrophobicContact CD2-CD2 3.96Å; L56-L268 HydrophobicContact CG-CD1 4.02Å; M59-L268 HydrophobicContact CG-CD2 3.51Å; L203-L268 HydrophobicContact CD2-CD2 3.92Å; V264-L268 HydrophobicContact CG1-CD1 3.73Å; V264-L268 HydrophobicContact CG1-CG 4.17Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.41Å; V264-L268 PolarHBondContact O-N 2.96Å; R265-L268 PolarHBondContact O-N 3.29Å; L268-N270 VanDerWaalsContact C-N 3.34Å; L268-N270 PolarHBondContact O-N 2.61Å; L268-A271 PolarHBondContact O-N 3.18Å; L268-V272 WeakPolarHBondContact O-CG2 3.42Å; L268-V272 PolarHBondContact O-N 3.19Å
269R98.7Very high98.4Very high106 Ų10641.8 Ų41.840%0.421%0.212SC..Hα-helixtrans-57.8-44.5172.5175.3178.9165.1-99.9-9.7111.9R265 E266 S267 V272 Q273R265-R269 WeakPolarHBondContact O-CB 3.35Å; R265-R269 PolarHBondContact O-N 3.47Å; E266-R269 PolarHBondContact O-N 3.07Å; E266-R269 IonicContact OE2-CZ 2.85Å; E266-R269 IonicContact OE2-NH1 2.86Å; E266-R269 PolarHBondContact OE2-NH1 3.34Å; S267-R269 VanDerWaalsContact C-N 3.31Å; S267-R269 PolarHBondContact O-N 3.48Å; R269-V272 PolarHBondContact O-N 3.38Å; R269-Q273 VanDerWaalsContact O-CG 3.32Å; R269-Q273 WeakPolarHBondContact O-CG 3.37Å; R269-Q273 PolarHBondContact O-N 2.94Å
270N98.2Very high98.4Very high49 Ų4940.9 Ų40.926%0.26221%0.206SC..Hα-helixtrans-62.6-44.5177.1-82.6-103.7000111.4L26 S28 E266 S267 L268 V272 Q273 E274L26-N270 HydrophobicContact CD1-CB 4.47Å; S28-N270 PolarHBondContact OG-ND2 2.97Å; E266-N270 PolarHBondContact O-N 3.44Å; E266-N270 PolarHBondContact O-ND2 3.4Å; S267-N270 WeakPolarHBondContact O-CB 3.35Å; S267-N270 PolarHBondContact O-N 3.31Å; S267-N270 VanDerWaalsContact O-N 3.12Å; L268-N270 VanDerWaalsContact C-N 3.34Å; L268-N270 PolarHBondContact O-N 2.61Å; N270-V272 VanDerWaalsContact C-N 3.32Å; N270-V272 PolarHBondContact O-N 3.26Å; N270-Q273 PolarHBondContact O-N 3.4Å; N270-E274 PolarHBondContact O-N 2.92Å
271A98.1Very high98.4Very high12 Ų1245.2 Ų45.210%0.09923%0.225CC..Hα-helixtrans-61.8-39.3177.200000112.3M59 S267 L268 G275 V279M59-A271 HydrophobicContact SD-CB 3.71Å; S267-A271 PolarHBondContact O-N 2.85Å; L268-A271 PolarHBondContact O-N 3.18Å; A271-G275 WeakPolarHBondContact O-CA 3.32Å; A271-G275 PolarHBondContact O-N 2.97Å; A271-V279 HydrophobicContact CB-CG2 4.48Å
272V98.4Very high98.4Very high78 Ų7848 Ų4847%0.47324%0.236SC..Hα-helixtrans-66-39.9174.8170.10000111.7Y58 L268 R269 N270 G275Y58-V272 HydrophobicContact CD1-CG2 3.74Å; Y58-V272 HydrophobicContact CE1-CG2 3.93Å; Y58-V272 HydrophobicContact CG-CG2 4.29Å; L268-V272 WeakPolarHBondContact O-CG2 3.42Å; L268-V272 PolarHBondContact O-N 3.19Å; R269-V272 PolarHBondContact O-N 3.38Å; N270-V272 VanDerWaalsContact C-N 3.32Å; N270-V272 PolarHBondContact O-N 3.26Å; V272-G275 PolarHBondContact O-N 3.04Å
273Q98.4Very high98.4Very high122 Ų12247.7 Ų47.757%0.5723%0.234SC*.Hα-helixtrans-68.1-38.6177.9-74.6179.6-38.300112.9R269 N270R269-Q273 VanDerWaalsContact O-CG 3.32Å; R269-Q273 WeakPolarHBondContact O-CG 3.37Å; R269-Q273 PolarHBondContact O-N 2.94Å; N270-Q273 PolarHBondContact O-N 3.4Å
274E98.1Very high98.4Very high70 Ų7050.7 Ų50.733%0.32725%0.248SC..Hα-helixtrans-71.4-37174.6-173.2176.3167.600111.2N270 N278 V279 R282N270-E274 PolarHBondContact O-N 2.92Å; E274-N278 HydrophobicContact CG-CB 4.02Å; E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-ND2 3.45Å; E274-V279 HydrophobicContact CB-CG2 3.93Å; E274-V279 HydrophobicContact CG-CG2 3.85Å; E274-R282 IonicContact OE1-CZ 3.86Å; E274-R282 IonicContact OE1-NE 3.85Å; E274-R282 PolarHBondContact OE1-NE 3.22Å; E274-R282 IonicContact OE1-NH2 2.77Å; E274-R282 PolarHBondContact OE1-NH2 2.6Å; E274-R282 IonicContact OE2-CZ 2.99Å; E274-R282 IonicContact OE2-NE 3.97Å; E274-R282 IonicContact OE2-NH2 3.96Å; E274-R282 PolarHBondContact OE2-NH2 2.92Å
275G98.4Very high98.4Very high17 Ų1753.3 Ų53.318%0.17527%0.267CS..  trans87.7129.4-171.100000111.3A271 V272 D277 N278 V279A271-G275 WeakPolarHBondContact O-CA 3.32Å; A271-G275 PolarHBondContact O-N 2.97Å; V272-G275 PolarHBondContact O-N 3.04Å; G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 2.89Å; G275-N278 WeakPolarHBondContact O-CA 3.17Å; G275-N278 WeakPolarHBondContact O-CB 3.44Å; G275-N278 PolarHBondContact O-N 3.33Å; G275-V279 WeakPolarHBondContact O-CG2 3.44Å; G275-V279 PolarHBondContact O-N 2.98Å
276L98.2Very high98.4Very high9 Ų950.1 Ų50.15%0.04726%0.256CS..Hα-helixtrans-54.9-42.4-173.3-178.259.5000113Y58 M59 Q61 N278 V279 I280Y58-L276 HydrophobicContact CE1-CB 3.76Å; Y58-L276 WeakPolarHBondContact OH-CB 3.43Å; Y58-L276 PolarHBondContact OH-N 3.48Å; M59-L276 HydrophobicContact CE-CD1 4.01Å; M59-L276 HydrophobicContact SD-CD1 4.03Å; Q61-L276 HydrophobicContact CG-CD2 3.68Å; L276-N278 VanDerWaalsContact C-N 3.29Å; L276-N278 PolarHBondContact O-N 2.93Å; L276-V279 WeakPolarHBondContact O-CB 3.48Å; L276-V279 PolarHBondContact O-N 3.25Å; L276-I280 HydrophobicContact CD1-CD1 4.06Å; L276-I280 HydrophobicContact CD1-CG1 4.26Å; L276-I280 HydrophobicContact CG-CD1 3.88Å; L276-I280 HydrophobicContact CG-CG1 4.5Å; L276-I280 WeakPolarHBondContact O-CG1 3.17Å; L276-I280 PolarHBondContact O-N 3.41Å
277D98.3Very high98.4Very high129 Ų12949 Ų4969%0.6925%0.251SS*.Hα-helixtrans-61.6-38.6177.4-64.1-21.8000111.8G275 I280 H281G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 2.89Å; D277-I280 PolarHBondContact O-N 2.97Å; D277-H281 WeakPolarHBondContact O-CB 3.46Å; D277-H281 PolarHBondContact O-N 2.91Å
278N98.4Very high98.3Very high97 Ų9755.1 Ų55.152%0.51928%0.277SS..Hα-helixtrans-70.3-39.6175.9-67.3-36.5000111.4E274 G275 L276 H281 R282E274-N278 HydrophobicContact CG-CB 4.02Å; E274-N278 WeakPolarHBondContact O-CB 3.49Å; E274-N278 PolarHBondContact O-ND2 3.45Å; G275-N278 WeakPolarHBondContact O-CA 3.17Å; G275-N278 WeakPolarHBondContact O-CB 3.44Å; G275-N278 PolarHBondContact O-N 3.33Å; L276-N278 VanDerWaalsContact C-N 3.29Å; L276-N278 PolarHBondContact O-N 2.93Å; N278-H281 PolarHBondContact O-N 3.22Å; N278-R282 VanDerWaalsContact O-CB 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.38Å; N278-R282 PolarHBondContact O-N 2.9Å
279V98.4Very high98.3Very high6 Ų658.3 Ų58.34%0.03629%0.291CS..Hα-helixtrans-58.2-50.7173.8-179.40000109.5G181 A271 E274 G275 L276 R282 H283G181-V279 WeakPolarHBondContact O-CG1 3.48Å; A271-V279 HydrophobicContact CB-CG2 4.48Å; E274-V279 HydrophobicContact CB-CG2 3.93Å; E274-V279 HydrophobicContact CG-CG2 3.85Å; G275-V279 WeakPolarHBondContact O-CG2 3.44Å; G275-V279 PolarHBondContact O-N 2.98Å; L276-V279 WeakPolarHBondContact O-CB 3.48Å; L276-V279 PolarHBondContact O-N 3.25Å; V279-R282 PolarHBondContact O-N 2.78Å; V279-H283 PolarHBondContact O-N 3.45Å; V279-H283 VanDerWaalsContact O-N 3.15Å; V279-H283 PolarHBondContact O-ND1 2.96Å
280I98.4Very high98.3Very high11 Ų1153.2 Ų53.26%0.05627%0.272CS..Hα-helixtrans-61-50.8179-68.8166.2000110.3L276 D277 R282 H283 E284L276-I280 HydrophobicContact CD1-CD1 4.06Å; L276-I280 HydrophobicContact CD1-CG1 4.26Å; L276-I280 HydrophobicContact CG-CD1 3.88Å; L276-I280 HydrophobicContact CG-CG1 4.5Å; L276-I280 WeakPolarHBondContact O-CG1 3.17Å; L276-I280 PolarHBondContact O-N 3.41Å; D277-I280 PolarHBondContact O-N 2.97Å; I280-R282 VanDerWaalsContact C-N 3.28Å; I280-R282 PolarHBondContact O-N 3.36Å; I280-H283 WeakPolarHBondContact O-CB 3.34Å; I280-H283 PolarHBondContact O-N 3.34Å; I280-E284 HydrophobicContact CG2-CG 4.36Å; I280-E284 PolarHBondContact O-N 3.23Å
281H98.4Very high98.3Very high116 Ų11651.7 Ų51.754%0.53726%0.263SS..Hα-helixtrans-56.6-41.4179.2-179.971.2000112.5D277 N278 H283 E284 S285D277-H281 WeakPolarHBondContact O-CB 3.46Å; D277-H281 PolarHBondContact O-N 2.91Å; N278-H281 PolarHBondContact O-N 3.22Å; H281-H283 PolarHBondContact O-N 3.36Å; H281-E284 PolarHBondContact O-N 3.31Å; H281-S285 WeakPolarHBondContact O-CB 3.48Å; H281-S285 PolarHBondContact O-N 3.1Å
282R98.2Very high98.3Very high61 Ų6153.4 Ų53.423%0.2328%0.277CS..Hα-helixtrans-61.5-43.3176.3176.7169.655.182.2-2.3111.6E274 N278 V279 I280 N286 G357 S360E274-R282 IonicContact OE1-CZ 3.86Å; E274-R282 IonicContact OE1-NE 3.85Å; E274-R282 PolarHBondContact OE1-NE 3.22Å; E274-R282 IonicContact OE1-NH2 2.77Å; E274-R282 PolarHBondContact OE1-NH2 2.6Å; E274-R282 IonicContact OE2-CZ 2.99Å; E274-R282 IonicContact OE2-NE 3.97Å; E274-R282 IonicContact OE2-NH2 3.96Å; E274-R282 PolarHBondContact OE2-NH2 2.92Å; N278-R282 VanDerWaalsContact O-CB 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.38Å; N278-R282 PolarHBondContact O-N 2.9Å; V279-R282 PolarHBondContact O-N 2.78Å; I280-R282 VanDerWaalsContact C-N 3.28Å; I280-R282 PolarHBondContact O-N 3.36Å; R282-N286 WeakPolarHBondContact CG-ND2 3.48Å; R282-N286 VanDerWaalsContact O-CB 3.3Å; R282-N286 WeakPolarHBondContact O-CB 3.36Å; R282-N286 VanDerWaalsContact O-CG 3.25Å; R282-N286 PolarHBondContact O-N 3.48Å; R282-N286 PolarHBondContact O-ND2 3.25Å; R282-N286 VanDerWaalsContact O-ND2 3.08Å; R282-G357 PolarHBondContact NH1-O 2.99Å; R282-S360 WeakPolarHBondContact CD-O 3.34Å; R282-S360 PolarHBondContact NH1-O 3.34Å
283H98.6Very high98.3Very high0 Ų050.1 Ų50.10%026%0.259CS..Hα-helixtrans-62.6-49.3175.9-72.385.4000111.7A182 V279 I280 H281 S285 A287 P311 G357A182-H283 HydrophobicContact CB-CB 4.23Å; V279-H283 PolarHBondContact O-N 3.45Å; V279-H283 VanDerWaalsContact O-N 3.15Å; V279-H283 PolarHBondContact O-ND1 2.96Å; I280-H283 WeakPolarHBondContact O-CB 3.34Å; I280-H283 PolarHBondContact O-N 3.34Å; H281-H283 PolarHBondContact O-N 3.36Å; H283-S285 PolarHBondContact O-N 3.3Å; H283-A287 WeakPolarHBondContact O-CB 3.47Å; H283-A287 PolarHBondContact O-N 3.38Å; H283-P311 HydrophobicContact CB-CB 4.22Å; H283-G357 PolarHBondContact NE2-N 3.43Å
284E98Very high98.3Very high62 Ų6244.3 Ų44.329%0.2923%0.232SC..Hα-helixtrans-61.3-45.4179.4-68179.9170.500112.7I280 H281 A287 K288 P311I280-E284 HydrophobicContact CG2-CG 4.36Å; I280-E284 PolarHBondContact O-N 3.23Å; H281-E284 PolarHBondContact O-N 3.31Å; E284-A287 PolarHBondContact O-N 3.35Å; E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 VanDerWaalsContact O-CG 3.31Å; E284-K288 WeakPolarHBondContact O-CG 3.35Å; E284-K288 PolarHBondContact O-N 3.49Å; E284-P311 HydrophobicContact CG-CB 4.47Å; E284-P311 HydrophobicContact CG-CG 4.08Å
285S98.1Very high98.3Very high58 Ų5846.2 Ų46.241%0.40624%0.239SC..Hα-helixtrans-64.2-47.1-179.3-177.20000111.6H281 H283 A287 K288 H289H281-S285 WeakPolarHBondContact O-CB 3.48Å; H281-S285 PolarHBondContact O-N 3.1Å; H283-S285 PolarHBondContact O-N 3.3Å; S285-A287 PolarHBondContact O-N 2.95Å; S285-K288 PolarHBondContact O-N 2.79Å; S285-H289 PolarHBondContact O-N 2.62Å
286N98.7Very high98.2Very high13 Ų1354 Ų547%0.0727%0.268CS..Hα-helixtrans-67.1-36.3177.8-71.3-33.6000112.1R282 H289 L290 L355 S360 T361 N362 V365R282-N286 WeakPolarHBondContact CG-ND2 3.48Å; R282-N286 VanDerWaalsContact O-CB 3.3Å; R282-N286 WeakPolarHBondContact O-CB 3.36Å; R282-N286 VanDerWaalsContact O-CG 3.25Å; R282-N286 PolarHBondContact O-N 3.48Å; R282-N286 PolarHBondContact O-ND2 3.25Å; R282-N286 VanDerWaalsContact O-ND2 3.08Å; N286-H289 PolarHBondContact O-N 3.4Å; N286-L290 WeakPolarHBondContact O-CB 3.47Å; N286-L290 PolarHBondContact O-N 2.86Å; N286-L355 HydrophobicContact CB-CD2 3.74Å; N286-S360 PolarHBondContact ND2-O 3.06Å; N286-S360 PolarHBondContact ND2-OG 3.31Å; N286-S360 VanDerWaalsContact ND2-OG 3.08Å; N286-T361 PolarHBondContact ND2-N 3.44Å; N286-N362 PolarHBondContact OD1-N 3.29Å; N286-V365 HydrophobicContact CB-CG2 4.03Å
287A98.5Very high98.1Very high1 Ų154.6 Ų54.61%0.00827%0.272CS..Hα-helixtrans-63.5-46174.900000111.5H283 E284 S285 H289 L290 Y291 P311H283-A287 WeakPolarHBondContact O-CB 3.47Å; H283-A287 PolarHBondContact O-N 3.38Å; E284-A287 PolarHBondContact O-N 3.35Å; S285-A287 PolarHBondContact O-N 2.95Å; A287-H289 VanDerWaalsContact C-N 3.31Å; A287-H289 PolarHBondContact O-N 2.83Å; A287-L290 WeakPolarHBondContact O-CB 3.42Å; A287-L290 PolarHBondContact O-N 3.48Å; A287-L290 VanDerWaalsContact O-N 3.12Å; A287-Y291 HydrophobicContact CB-CE1 4.29Å; A287-Y291 HydrophobicContact CB-CE2 4.14Å; A287-Y291 WeakPolarHBondContact O-CD1 3.46Å; A287-Y291 WeakPolarHBondContact O-CD2 3.26Å; A287-Y291 PolarHBondContact O-N 3.06Å; A287-P311 HydrophobicContact CB-CB 4.01Å; A287-P311 WeakPolarHBondContact CB-O 3.48Å
288K98.1Very high98Very high134 Ų13450.5 Ų50.558%0.58326%0.261SS*.Hα-helixtrans-58.8-41.5174.1-73.6170.1-178.2170.60112E284 S285 Y291 A292E284-K288 WeakPolarHBondContact O-CB 3.43Å; E284-K288 VanDerWaalsContact O-CG 3.31Å; E284-K288 WeakPolarHBondContact O-CG 3.35Å; E284-K288 PolarHBondContact O-N 3.49Å; S285-K288 PolarHBondContact O-N 2.79Å; K288-Y291 PolarHBondContact O-N 3.41Å; K288-A292 PolarHBondContact O-N 3.47Å; K288-A292 VanDerWaalsContact O-N 3.1Å
289H98.4Very high98Very high73 Ų7346 Ų4634%0.33824%0.236SC..Hα-helixtrans-61.9-45.9174.1-176.5-164.3000111.5S285 N286 A287 Y291 A292 G293 N362 V365S285-H289 PolarHBondContact O-N 2.62Å; N286-H289 PolarHBondContact O-N 3.4Å; A287-H289 VanDerWaalsContact C-N 3.31Å; A287-H289 PolarHBondContact O-N 2.83Å; H289-Y291 PolarHBondContact O-N 3.37Å; H289-A292 PolarHBondContact O-N 3.4Å; H289-G293 PolarHBondContact O-N 2.77Å; H289-N362 PolarHBondContact CE1-OD1 2.98Å; H289-N362 PolarHBondContact ND1-OD1 2.85Å; H289-V365 HydrophobicContact CB-CG1 4.2Å
290L98.6Very high98Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-59.4-46.2176.2179.964.5000111.4N286 A287 A292 G293 L294 I353 L355 V365 I368 L369N286-L290 WeakPolarHBondContact O-CB 3.47Å; N286-L290 PolarHBondContact O-N 2.86Å; A287-L290 WeakPolarHBondContact O-CB 3.42Å; A287-L290 PolarHBondContact O-N 3.48Å; A287-L290 VanDerWaalsContact O-N 3.12Å; L290-A292 PolarHBondContact O-N 2.85Å; L290-G293 PolarHBondContact O-N 3.05Å; L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CD2 4.5Å; L290-L294 HydrophobicContact CD1-CG 4.05Å; L290-L294 HydrophobicContact CD2-CD1 4.31Å; L290-L294 HydrophobicContact CG-CD1 3.71Å; L290-L294 HydrophobicContact CG-CG 4.18Å; L290-L294 WeakPolarHBondContact O-CB 3.21Å; L290-L294 VanDerWaalsContact O-CG 3.26Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 2.81Å; L290-I353 HydrophobicContact CD2-CG2 4.04Å; L290-L355 HydrophobicContact CB-CD2 4.34Å; L290-L355 HydrophobicContact CD2-CD2 4.24Å; L290-V365 HydrophobicContact CB-CG1 4.11Å; L290-V365 HydrophobicContact CD1-CG1 4.43Å; L290-I368 HydrophobicContact CD1-CG2 3.95Å; L290-L369 HydrophobicContact CD1-CD2 3.98Å; L290-L369 HydrophobicContact CD1-CG 4.24Å
291Y98.4Very high98Very high17 Ų1754.3 Ų54.37%0.06727%0.267CS..Hα-helixtrans-57.8-47.1178.6-55.9-24.4000112A287 K288 H289 G293 L294 K295 M301 R309 L310 T314A287-Y291 HydrophobicContact CB-CE1 4.29Å; A287-Y291 HydrophobicContact CB-CE2 4.14Å; A287-Y291 WeakPolarHBondContact O-CD1 3.46Å; A287-Y291 WeakPolarHBondContact O-CD2 3.26Å; A287-Y291 PolarHBondContact O-N 3.06Å; K288-Y291 PolarHBondContact O-N 3.41Å; H289-Y291 PolarHBondContact O-N 3.37Å; Y291-G293 VanDerWaalsContact C-N 3.3Å; Y291-G293 PolarHBondContact O-N 3.18Å; Y291-L294 PolarHBondContact O-N 2.89Å; Y291-K295 WeakPolarHBondContact O-CG 3.45Å; Y291-K295 PolarHBondContact O-N 3.05Å; Y291-M301 HydrophobicContact CD1-CG 4.49Å; Y291-M301 HydrophobicContact CG-CE 4.35Å; Y291-R309 HydrophobicContact CE2-CB 4.28Å; Y291-L310 PolarHBondContact OH-O 3.1Å; Y291-T314 HydrophobicContact CD1-CG2 3.97Å; Y291-T314 HydrophobicContact CE1-CG2 3.78Å; Y291-T314 WeakPolarHBondContact CE1-OG1 3.3Å
292A98.1Very high98Very high47 Ų4750.7 Ų50.739%0.38825%0.251SS..Hα-helixtrans-62.2-39.7178.500000111.8K288 H289 L290 K296K288-A292 PolarHBondContact O-N 3.47Å; K288-A292 VanDerWaalsContact O-N 3.1Å; H289-A292 PolarHBondContact O-N 3.4Å; L290-A292 PolarHBondContact O-N 2.85Å; A292-K296 WeakPolarHBondContact O-CG 3.3Å; A292-K296 PolarHBondContact O-N 2.84Å
293G98.4Very high98Very high10 Ų1048 Ų4810%0.10324%0.242CC..Hα-helixtrans-66.4-45.8175.100000113.2H289 L290 Y291 K295 K296 V297H289-G293 PolarHBondContact O-N 2.77Å; L290-G293 PolarHBondContact O-N 3.05Å; Y291-G293 VanDerWaalsContact C-N 3.3Å; Y291-G293 PolarHBondContact O-N 3.18Å; G293-K295 VanDerWaalsContact C-N 3.34Å; G293-K295 PolarHBondContact O-N 3.18Å; G293-K296 WeakPolarHBondContact O-CB 3.26Å; G293-K296 PolarHBondContact O-N 2.96Å; G293-V297 WeakPolarHBondContact O-CG2 3.44Å; G293-V297 PolarHBondContact O-N 3.12Å
294L98.1Very high97.9Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-59.9-43.3179.4-73.3167.5000111.8L290 Y291 K296 V297 G298 F299 M301 T314 I316 I353 L369 L372L290-L294 HydrophobicContact CD1-CD1 4.06Å; L290-L294 HydrophobicContact CD1-CD2 4.5Å; L290-L294 HydrophobicContact CD1-CG 4.05Å; L290-L294 HydrophobicContact CD2-CD1 4.31Å; L290-L294 HydrophobicContact CG-CD1 3.71Å; L290-L294 HydrophobicContact CG-CG 4.18Å; L290-L294 WeakPolarHBondContact O-CB 3.21Å; L290-L294 VanDerWaalsContact O-CG 3.26Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 2.81Å; Y291-L294 PolarHBondContact O-N 2.89Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 3.3Å; L294-V297 PolarHBondContact O-N 2.84Å; L294-V297 VanDerWaalsContact O-N 3.16Å; L294-G298 PolarHBondContact O-N 3.47Å; L294-G298 VanDerWaalsContact O-N 3.07Å; L294-F299 HydrophobicContact CB-CB 4.34Å; L294-F299 HydrophobicContact CD2-CB 4.41Å; L294-F299 HydrophobicContact CD2-CD2 4.19Å; L294-F299 PolarHBondContact O-N 3.31Å; L294-M301 HydrophobicContact CB-SD 4.38Å; L294-M301 HydrophobicContact CD1-SD 4.45Å; L294-T314 HydrophobicContact CD1-CG2 3.87Å; L294-I316 HydrophobicContact CD1-CG2 3.68Å; L294-I316 HydrophobicContact CD2-CD1 4.01Å; L294-I316 HydrophobicContact CD2-CG2 4.26Å; L294-I316 HydrophobicContact CG-CG2 4.44Å; L294-I353 HydrophobicContact CD2-CD1 4.12Å; L294-L369 HydrophobicContact CD2-CD2 4.33Å; L294-L369 HydrophobicContact CG-CD2 4.19Å; L294-L372 HydrophobicContact CD2-CD1 3.48Å; L294-L372 VanDerWaalsContact CD2-CD1 3.48Å
295K97.5Very high97.8Very high110 Ų11054.8 Ų54.848%0.47828%0.276SS..Hα-helixtrans-57.1-40.8173.9-71178.4-169.7179.30111.4Y291 G293 G298 M301 E306Y291-K295 WeakPolarHBondContact O-CG 3.45Å; Y291-K295 PolarHBondContact O-N 3.05Å; G293-K295 VanDerWaalsContact C-N 3.34Å; G293-K295 PolarHBondContact O-N 3.18Å; K295-G298 PolarHBondContact O-N 3.12Å; K295-M301 HydrophobicContact CD-CE 4.35Å; K295-M301 VanDerWaalsContact CE-CE 3.42Å; K295-M301 HydrophobicContact CG-CE 4.09Å; K295-E306 IonicContact NZ-OE1 3.73Å; K295-E306 PolarHBondContact NZ-OE1 3.21Å
296K97.2Very high97.7Very high181 Ų18156.8 Ų56.879%0.78728%0.279SS*.Hα-helixtrans-69.6-32.3177.8-69.3173.6-177.3179.30113.4A292 G293 L294 G298A292-K296 WeakPolarHBondContact O-CG 3.3Å; A292-K296 PolarHBondContact O-N 2.84Å; G293-K296 WeakPolarHBondContact O-CB 3.26Å; G293-K296 PolarHBondContact O-N 2.96Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 3.3Å; K296-G298 VanDerWaalsContact C-N 3.26Å
297V96.4Very high97.6Very high20 Ų2063.1 Ų63.112%0.12131%0.313CS..Hα-helixtrans-72.4-24174.1179.50000111.3G293 L294 F299 K373G293-V297 WeakPolarHBondContact O-CG2 3.44Å; G293-V297 PolarHBondContact O-N 3.12Å; L294-V297 PolarHBondContact O-N 2.84Å; L294-V297 VanDerWaalsContact O-N 3.16Å; V297-F299 HydrophobicContact CB-CD2 4.08Å; V297-F299 HydrophobicContact CB-CE2 4.44Å; V297-F299 HydrophobicContact CG1-CD2 3.75Å; V297-F299 HydrophobicContact CG1-CE2 3.63Å; V297-K373 HydrophobicContact CG1-CB 4.47Å; V297-K373 HydrophobicContact CG1-CD 4.22Å; V297-K373 HydrophobicContact CG2-CB 4.16Å; V297-K373 HydrophobicContact CG2-CD 4.36Å
298G96.2Very high97.6Very high44 Ų4464.3 Ų64.345%0.45432%0.318SS..THydrogen-bonded Turntrans111.92.4177.900000114.1L294 K295 K296L294-G298 PolarHBondContact O-N 3.47Å; L294-G298 VanDerWaalsContact O-N 3.07Å; K295-G298 PolarHBondContact O-N 3.12Å; K296-G298 VanDerWaalsContact C-N 3.26Å
299F97.7Very high97.6Very high3 Ų358.7 Ų58.71%0.01329%0.294CS..  trans-76.6146.9175.6-70.8-75.4000111.6L294 V297 I316 L319 F327 Y351 L372L294-F299 HydrophobicContact CB-CB 4.34Å; L294-F299 HydrophobicContact CD2-CB 4.41Å; L294-F299 HydrophobicContact CD2-CD2 4.19Å; L294-F299 PolarHBondContact O-N 3.31Å; V297-F299 HydrophobicContact CB-CD2 4.08Å; V297-F299 HydrophobicContact CB-CE2 4.44Å; V297-F299 HydrophobicContact CG1-CD2 3.75Å; V297-F299 HydrophobicContact CG1-CE2 3.63Å; F299-I316 HydrophobicContact CB-CB 4.27Å; F299-I316 HydrophobicContact CB-CD1 4.3Å; F299-I316 HydrophobicContact CB-CG2 4.35Å; F299-I316 HydrophobicContact CD1-CB 4.43Å; F299-I316 HydrophobicContact CD1-CD1 3.75Å; F299-I316 HydrophobicContact CD1-CG1 4.36Å; F299-I316 HydrophobicContact CD2-CD1 4.24Å; F299-I316 HydrophobicContact CE1-CD1 4.07Å; F299-I316 HydrophobicContact CG-CD1 3.84Å; F299-I316 HydrophobicContact CZ-CD1 4.46Å; F299-L319 HydrophobicContact CD1-CD1 4.45Å; F299-L319 HydrophobicContact CD1-CD2 3.88Å; F299-L319 HydrophobicContact CD1-CG 4Å; F299-L319 HydrophobicContact CE1-CD1 3.89Å; F299-L319 HydrophobicContact CE1-CD2 4.08Å; F299-L319 HydrophobicContact CE1-CG 3.65Å; F299-L319 HydrophobicContact CZ-CD1 4.04Å; F299-L319 HydrophobicContact CZ-CG 4.32Å; F299-F327 HydrophobicContact CE2-CZ 4.48Å; F299-F327 HydrophobicContact CZ-CE1 4.25Å; F299-F327 HydrophobicContact CZ-CE2 4.43Å; F299-F327 AromaticContact CZ-CZ 3.77Å; F299-F327 HydrophobicContact CZ-CZ 3.77Å; F299-Y351 HydrophobicContact CE1-CD2 4.3Å; F299-Y351 HydrophobicContact CE1-CE2 4.14Å; F299-L372 HydrophobicContact CE2-CB 4.24Å; F299-L372 HydrophobicContact CE2-CD2 4.39Å
300R97.7Very high97.6Very high184 Ų18455.2 Ų55.269%0.69428%0.278SS*.  trans-110.3133.6169.1-62.2-175-176.2-173.80.8108.9I316 N317R300-I316 CarbonylContact O-C 3.6Å; R300-I316 WeakPolarHBondContact O-CA 3.44Å; R300-N317 PolarHBondContact O-N 2.77Å
301M98.2Very high97.6Very high7 Ų755.7 Ų55.73%0.03428%0.281CS..BIsolated β-bridgetrans-65.2151171.5-73.571.179.800109.6Y291 L294 K295 Q304 R309 T314 G315 I316Y291-M301 HydrophobicContact CD1-CG 4.49Å; Y291-M301 HydrophobicContact CG-CE 4.35Å; L294-M301 HydrophobicContact CB-SD 4.38Å; L294-M301 HydrophobicContact CD1-SD 4.45Å; K295-M301 HydrophobicContact CD-CE 4.35Å; K295-M301 VanDerWaalsContact CE-CE 3.42Å; K295-M301 HydrophobicContact CG-CE 4.09Å; M301-Q304 PolarHBondContact O-NE2 3.32Å; M301-R309 VanDerWaalsContact CE-CZ 3.42Å; M301-T314 HydrophobicContact CG-CG2 3.71Å; M301-G315 CarbonylContact C-O 3.5Å; M301-G315 VanDerWaalsContact CA-O 3.24Å; M301-G315 WeakPolarHBondContact CA-O 3.03Å; M301-I316 HydrophobicContact CG-CG2 4.33Å
302L98.3Very high97.6Very high40 Ų4054.9 Ų54.921%0.20928%0.277CS..SBendtrans-65.6-53.1171.9175.964.2000109.8P122 Q304 G315 T346 I350P122-L302 HydrophobicContact CB-CD2 4.37Å; L302-Q304 PolarHBondContact O-N 3.02Å; L302-Q304 PolarHBondContact O-NE2 3.41Å; L302-G315 PolarHBondContact N-O 2.9Å; L302-T346 HydrophobicContact CD2-CG2 4.18Å; L302-I350 HydrophobicContact CB-CG2 4.21Å; L302-I350 HydrophobicContact CD1-CG2 4.33Å; L302-I350 HydrophobicContact CD2-CD1 4.22Å; L302-I350 HydrophobicContact CD2-CG2 4.18Å; L302-I350 HydrophobicContact CG-CG2 4.47Å
303V98.5Very high97.6Very high5 Ų552.7 Ų52.73%0.0326%0.259CS..  trans-75.4108.5176.4-173.10000109.1A154 D305 I308 R309A154-V303 HydrophobicContact CB-CG2 4.12Å; V303-D305 WeakPolarHBondContact CG1-O 3.39Å; V303-I308 HydrophobicContact CG1-CD1 3.84Å; V303-I308 HydrophobicContact CG1-CG1 3.65Å; V303-R309 HydrophobicContact CB-CG 4.01Å; V303-R309 HydrophobicContact CG1-CG 3.92Å; V303-R309 PolarHBondContact O-NE 2.55Å; V303-R309 PolarHBondContact O-NH2 3.35Å
304Q96.4Very high97.6Very high122 Ų12252.5 Ų52.557%0.5726%0.256SS*.  trans-76.7-43-176.1-61.7-49.4-54.600112.5M301 L302 E306 R309M301-Q304 PolarHBondContact O-NE2 3.32Å; L302-Q304 PolarHBondContact O-N 3.02Å; L302-Q304 PolarHBondContact O-NE2 3.41Å; Q304-E306 PolarHBondContact O-N 2.83Å; Q304-R309 PolarHBondContact O-NH2 2.87Å
305D96.7Very high97.6Very high82 Ų8252.7 Ų52.744%0.43926%0.258SS..  trans-69.3125.7177.6-178.6-1.2000109.7V303 D307 I308 R309V303-D305 WeakPolarHBondContact CG1-O 3.39Å; D305-D307 VanDerWaalsContact C-N 3.34Å; D305-D307 PolarHBondContact OD1-N 2.89Å; D305-I308 HydrophobicContact CB-CD1 4.08Å; D305-I308 HydrophobicContact CB-CG1 3.75Å; D305-R309 WeakPolarHBondContact O-CG 3.47Å
306E96.2Very high97.7Very high100 Ų10047.4 Ų47.447%0.46724%0.235SC..SBendtrans-75.9-25.3-175.2-46.5-148.5143.200112.1K295 Q304 I308 R309K295-E306 IonicContact NZ-OE1 3.73Å; K295-E306 PolarHBondContact NZ-OE1 3.21Å; Q304-E306 PolarHBondContact O-N 2.83Å; E306-I308 VanDerWaalsContact C-N 3.26Å; E306-I308 PolarHBondContact O-N 2.99Å; E306-R309 VanDerWaalsContact CD-NH1 3.26Å; E306-R309 VanDerWaalsContact CG-NH1 3.31Å; E306-R309 PolarHBondContact O-N 2.81Å; E306-R309 IonicContact OE1-CZ 2.84Å; E306-R309 IonicContact OE1-NH1 2.92Å; E306-R309 PolarHBondContact OE1-NH1 3.09Å
307D96.4Very high97.7Very high146 Ų14641.2 Ų41.278%0.78121%0.21SC*.THydrogen-bonded Turntrans-73.8-20.1-175.5-66.9-22.7000112.5D305D305-D307 VanDerWaalsContact C-N 3.34Å; D305-D307 PolarHBondContact OD1-N 2.89Å
308I97.9Very high97.8Very high25 Ų2541.6 Ų41.613%0.12821%0.213CC..THydrogen-bonded Turntrans-111.317.9177.960.6161.4000112.5V125 A154 L155 P157 V303 D305 E306V125-I308 HydrophobicContact CG1-CB 4.3Å; V125-I308 HydrophobicContact CG1-CD1 4.1Å; V125-I308 HydrophobicContact CG2-CD1 3.94Å; V125-I308 HydrophobicContact CG2-CG2 4.03Å; A154-I308 CarbonylContact C-O 3.59Å; A154-I308 WeakPolarHBondContact CA-O 3.28Å; L155-I308 PolarHBondContact N-O 3.11Å; P157-I308 HydrophobicContact CG-CG2 4.4Å; V303-I308 HydrophobicContact CG1-CD1 3.84Å; V303-I308 HydrophobicContact CG1-CG1 3.65Å; D305-I308 HydrophobicContact CB-CD1 4.08Å; D305-I308 HydrophobicContact CB-CG1 3.75Å; E306-I308 VanDerWaalsContact C-N 3.26Å; E306-I308 PolarHBondContact O-N 2.99Å
309R98.3Very high97.8Very high17 Ų1741.5 Ų41.56%0.06420%0.201CC..BIsolated β-bridgetrans-81.3131.7172-78.5178.9-175.4143.913.6110.8Y291 M301 V303 Q304 D305 E306 P311Y291-R309 HydrophobicContact CE2-CB 4.28Å; M301-R309 VanDerWaalsContact CE-CZ 3.42Å; V303-R309 HydrophobicContact CB-CG 4.01Å; V303-R309 HydrophobicContact CG1-CG 3.92Å; V303-R309 PolarHBondContact O-NE 2.55Å; V303-R309 PolarHBondContact O-NH2 3.35Å; Q304-R309 PolarHBondContact O-NH2 2.87Å; D305-R309 WeakPolarHBondContact O-CG 3.47Å; E306-R309 VanDerWaalsContact CD-NH1 3.26Å; E306-R309 VanDerWaalsContact CG-NH1 3.31Å; E306-R309 PolarHBondContact O-N 2.81Å; E306-R309 IonicContact OE1-CZ 2.84Å; E306-R309 IonicContact OE1-NH1 2.92Å; E306-R309 PolarHBondContact OE1-NH1 3.09Å; R309-P311 VanDerWaalsContact O-CD 3.3Å; R309-P311 WeakPolarHBondContact O-CD 3.47Å
310L98.6Very high97.6Very high0 Ų047.6 Ų47.60%024%0.242CC..  trans-74.2119.1173.3-17756.8000110.6G153 L155 M178 Y291 S312 L313G153-L310 VanDerWaalsContact O-CB 3.3Å; G153-L310 WeakPolarHBondContact O-CB 3.23Å; G153-L310 PolarHBondContact O-N 3.36Å; L155-L310 HydrophobicContact CB-CB 4.35Å; L155-L310 HydrophobicContact CD1-CD1 3.84Å; M178-L310 HydrophobicContact CB-CD2 3.96Å; M178-L310 HydrophobicContact CG-CD2 3.37Å; M178-L310 HydrophobicContact CG-CG 4.25Å; Y291-L310 PolarHBondContact OH-O 3.1Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 WeakPolarHBondContact CD1-OG 3.47Å; L310-S312 WeakPolarHBondContact CG-OG 3.25Å; L310-S312 PolarHBondContact O-N 3.26Å; L310-L313 HydrophobicContact CD2-CB 4.16Å; L310-L313 HydrophobicContact CG-CB 4.49Å; L310-L313 CarbonylContact O-C 3.39Å; L310-L313 PolarHBondContact O-N 3.06Å
311P98.4Very high97.4Very high10 Ų1043.2 Ų43.27%0.06525%0.253CS..THydrogen-bonded Turntrans-64-34.7-177.1-26.937.2000113.9H283 E284 A287 R309 L313H283-P311 HydrophobicContact CB-CB 4.22Å; E284-P311 HydrophobicContact CG-CB 4.47Å; E284-P311 HydrophobicContact CG-CG 4.08Å; A287-P311 HydrophobicContact CB-CB 4.01Å; A287-P311 WeakPolarHBondContact CB-O 3.48Å; R309-P311 VanDerWaalsContact O-CD 3.3Å; R309-P311 WeakPolarHBondContact O-CD 3.47Å; P311-L313 VanDerWaalsContact C-N 3.32Å; P311-L313 PolarHBondContact O-N 3.46Å
312S98.4Very high97.2Very high0 Ų045 Ų450%026%0.262CS..THydrogen-bonded Turntrans-74.7-17.1-178.348.90000114.1M178 L310 G354 L355 M356M178-S312 WeakPolarHBondContact CG-OG 3.42Å; M178-S312 WeakPolarHBondContact O-CB 3.25Å; M178-S312 PolarHBondContact O-OG 2.74Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 WeakPolarHBondContact CD1-OG 3.47Å; L310-S312 WeakPolarHBondContact CG-OG 3.25Å; L310-S312 PolarHBondContact O-N 3.26Å; S312-G354 WeakPolarHBondContact O-CA 3.48Å; S312-L355 PolarHBondContact O-N 3.16Å; S312-M356 WeakPolarHBondContact O-CE 3.39Å
313L98.5Very high97.1Very high1 Ų147.3 Ų47.31%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-147.4126-178.3-171.593000112.7P20 S150 M178 L310 P311 R352 I353 M356P20-L313 VanDerWaalsContact CA-CD1 3.49Å; P20-L313 HydrophobicContact CB-CD1 3.55Å; S150-L313 VanDerWaalsContact CA-CD2 3.47Å; S150-L313 WeakPolarHBondContact O-CD2 3.32Å; M178-L313 HydrophobicContact CE-CD1 4.37Å; M178-L313 HydrophobicContact CG-CB 4.25Å; M178-L313 HydrophobicContact SD-CB 4.36Å; L310-L313 HydrophobicContact CD2-CB 4.16Å; L310-L313 HydrophobicContact CG-CB 4.49Å; L310-L313 CarbonylContact O-C 3.39Å; L310-L313 PolarHBondContact O-N 3.06Å; P311-L313 VanDerWaalsContact C-N 3.32Å; P311-L313 PolarHBondContact O-N 3.46Å; L313-R352 HydrophobicContact CD1-CB 4.33Å; L313-I353 WeakPolarHBondContact CA-O 3.28Å; L313-M356 HydrophobicContact CD1-CE 4.42Å
314T98.7Very high97.1Very high5 Ų550.4 Ų50.43%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-107.6120.2174-45.60000111.2Y291 L294 M301 I316 I353Y291-T314 HydrophobicContact CD1-CG2 3.97Å; Y291-T314 HydrophobicContact CE1-CG2 3.78Å; Y291-T314 WeakPolarHBondContact CE1-OG1 3.3Å; L294-T314 HydrophobicContact CD1-CG2 3.87Å; M301-T314 HydrophobicContact CG-CG2 3.71Å; T314-I316 HydrophobicContact CG2-CG2 3.97Å; T314-I353 PolarHBondContact N-O 3.29Å; T314-I353 PolarHBondContact O-N 2.91Å
315G98.4Very high97.2Very high4 Ų450.9 Ų50.94%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-85.6124.4163.800000110.4M301 L302 Y351M301-G315 CarbonylContact C-O 3.5Å; M301-G315 VanDerWaalsContact CA-O 3.24Å; M301-G315 WeakPolarHBondContact CA-O 3.03Å; L302-G315 PolarHBondContact N-O 2.9Å; G315-Y351 CarbonylContact C-O 3.57Å; G315-Y351 WeakPolarHBondContact CA-O 3.48Å
316I98.5Very high97.2Very high0 Ų052.8 Ų52.80%029%0.292CS..EExtended strand (participates in β ladder)trans-120.6139.8174.357.3174.2000110.9L294 F299 R300 M301 T314 I350 Y351 I353L294-I316 HydrophobicContact CD1-CG2 3.68Å; L294-I316 HydrophobicContact CD2-CD1 4.01Å; L294-I316 HydrophobicContact CD2-CG2 4.26Å; L294-I316 HydrophobicContact CG-CG2 4.44Å; F299-I316 HydrophobicContact CB-CB 4.27Å; F299-I316 HydrophobicContact CB-CD1 4.3Å; F299-I316 HydrophobicContact CB-CG2 4.35Å; F299-I316 HydrophobicContact CD1-CB 4.43Å; F299-I316 HydrophobicContact CD1-CD1 3.75Å; F299-I316 HydrophobicContact CD1-CG1 4.36Å; F299-I316 HydrophobicContact CD2-CD1 4.24Å; F299-I316 HydrophobicContact CE1-CD1 4.07Å; F299-I316 HydrophobicContact CG-CD1 3.84Å; F299-I316 HydrophobicContact CZ-CD1 4.46Å; R300-I316 CarbonylContact O-C 3.6Å; R300-I316 WeakPolarHBondContact O-CA 3.44Å; M301-I316 HydrophobicContact CG-CG2 4.33Å; T314-I316 HydrophobicContact CG2-CG2 3.97Å; I316-I350 CarbonylContact O-C 3.44Å; I316-I350 WeakPolarHBondContact O-CA 3.39Å; I316-I350 VanDerWaalsContact O-CB 3.23Å; I316-I350 WeakPolarHBondContact O-CB 3.31Å; I316-Y351 HydrophobicContact CD1-CD2 4.15Å; I316-Y351 HydrophobicContact CG1-CD2 4.05Å; I316-Y351 HydrophobicContact CG1-CG 4.43Å; I316-Y351 PolarHBondContact N-O 3.27Å; I316-Y351 PolarHBondContact O-N 3.15Å; I316-I353 HydrophobicContact CD1-CD1 3.65Å; I316-I353 HydrophobicContact CD1-CG1 4.45Å; I316-I353 HydrophobicContact CG1-CD1 4.35Å
317N98.4Very high97.3Very high50 Ų5048.3 Ų48.327%0.26727%0.271SS..EExtended strand (participates in β ladder)trans-67.4139.7-179.3-64.2-21.8000111R300 K349R300-N317 PolarHBondContact O-N 2.77Å; N317-K349 WeakPolarHBondContact CA-O 3.3Å
318V98.1Very high97.4Very high28 Ų2842.7 Ų42.717%0.1724%0.24CC..PPolyproline II helixtrans-60.7136167.6175.70000108.4Q322 W324 K349 Y351V318-Q322 HydrophobicContact CG1-CB 4.08Å; V318-W324 HydrophobicContact CG1-CB 4.03Å; V318-W324 HydrophobicContact CG2-CB 3.72Å; V318-K349 PolarHBondContact N-O 3.45Å; V318-Y351 HydrophobicContact CB-CE2 4.29Å; V318-Y351 HydrophobicContact CG2-CD2 4.26Å; V318-Y351 HydrophobicContact CG2-CE1 4.31Å; V318-Y351 HydrophobicContact CG2-CE2 3.87Å
319L95.9Very high97.4Very high42 Ų4246.6 Ų46.622%0.2226%0.258CS..PPolyproline II helixtrans-70.5147.7-179.3-62.2176.8000110.6F299 G321 Q322 T376F299-L319 HydrophobicContact CD1-CD1 4.45Å; F299-L319 HydrophobicContact CD1-CD2 3.88Å; F299-L319 HydrophobicContact CD1-CG 4Å; F299-L319 HydrophobicContact CE1-CD1 3.89Å; F299-L319 HydrophobicContact CE1-CD2 4.08Å; F299-L319 HydrophobicContact CE1-CG 3.65Å; F299-L319 HydrophobicContact CZ-CD1 4.04Å; F299-L319 HydrophobicContact CZ-CG 4.32Å; L319-G321 PolarHBondContact O-N 2.97Å; L319-Q322 HydrophobicContact CB-CB 4.15Å; L319-Q322 WeakPolarHBondContact O-CB 3.45Å; L319-Q322 PolarHBondContact O-N 2.98Å; L319-Q322 VanDerWaalsContact O-N 3.08Å; L319-T376 HydrophobicContact CD1-CG2 3.77Å
320P93.7Very high97.4Very high132 Ų13247.9 Ų47.986%0.85726%0.263SS*.THydrogen-bonded Turntrans-53.8129.8177.9-26.535.1000112.3Q322P320-Q322 PolarHBondContact O-N 3.35Å
321G93.1Very high97.3Very high91 Ų9147.9 Ų47.994%0.93826%0.263SS*.THydrogen-bonded Turntrans77.3-3.5179.400000115.7L319L319-G321 PolarHBondContact O-N 2.97Å
322Q94.3Very high97.3Very high46 Ų4650.2 Ų50.222%0.21527%0.272CS..  trans-78.6132-179.6-174.3173.257.100111.7V318 L319 P320 W324 F327 Y351V318-Q322 HydrophobicContact CG1-CB 4.08Å; L319-Q322 HydrophobicContact CB-CB 4.15Å; L319-Q322 WeakPolarHBondContact O-CB 3.45Å; L319-Q322 PolarHBondContact O-N 2.98Å; L319-Q322 VanDerWaalsContact O-N 3.08Å; P320-Q322 PolarHBondContact O-N 3.35Å; Q322-W324 PolarHBondContact O-N 2.87Å; Q322-F327 HydrophobicContact CG-CB 4.3Å; Q322-F327 HydrophobicContact CG-CD2 4.43Å; Q322-F327 VanDerWaalsContact NE2-CE2 3.3Å; Q322-Y351 VanDerWaalsContact CD-OH 3.24Å; Q322-Y351 PolarHBondContact OE1-OH 3.42Å
323D96.9Very high97.2Very high88 Ų8854.2 Ų54.247%0.47130%0.297SS..  trans-74.7108.6165.4-176.4-29000109.3K325 Q326 F327D323-K325 VanDerWaalsContact C-N 3.29Å; D323-K325 PolarHBondContact O-N 3.02Å; D323-K325 WeakPolarHBondContact OD1-CA 3.27Å; D323-K325 WeakPolarHBondContact OD1-CB 3.43Å; D323-K325 PolarHBondContact OD1-N 3.29Å; D323-Q326 HydrophobicContact CB-CB 3.89Å; D323-Q326 PolarHBondContact O-N 3.44Å; D323-Q326 PolarHBondContact OD1-N 2.89Å; D323-Q326 VanDerWaalsContact OD1-N 3.07Å; D323-F327 WeakPolarHBondContact O-CB 3.39Å; D323-F327 PolarHBondContact O-N 2.94Å
324W97.3Very high97.2Very high69 Ų6958.6 Ų58.626%0.26132%0.317SS..Hα-helixtrans-65.6-31.1-176.473-92.1000113.8V318 Q322 I328 Y351V318-W324 HydrophobicContact CG1-CB 4.03Å; V318-W324 HydrophobicContact CG2-CB 3.72Å; Q322-W324 PolarHBondContact O-N 2.87Å; W324-I328 HydrophobicContact CE3-CD1 3.76Å; W324-I328 HydrophobicContact CZ3-CD1 3.96Å; W324-I328 WeakPolarHBondContact O-CG1 3.48Å; W324-I328 PolarHBondContact O-N 2.85Å; W324-Y351 VanDerWaalsContact CA-OH 3.29Å; W324-Y351 WeakPolarHBondContact CA-OH 3.08Å; W324-Y351 HydrophobicContact CB-CE1 3.77Å; W324-Y351 WeakPolarHBondContact O-CE1 3.23Å
325K98.1Very high97.1Very high133 Ų13361.1 Ų61.158%0.57833%0.329SS*.Hα-helixtrans-72.7-45178.3-65.3-178.8179.9176.90110.1D323 F327 I328 Q329D323-K325 VanDerWaalsContact C-N 3.29Å; D323-K325 PolarHBondContact O-N 3.02Å; D323-K325 WeakPolarHBondContact OD1-CA 3.27Å; D323-K325 WeakPolarHBondContact OD1-CB 3.43Å; D323-K325 PolarHBondContact OD1-N 3.29Å; K325-F327 VanDerWaalsContact C-N 3.3Å; K325-F327 PolarHBondContact O-N 3.05Å; K325-I328 PolarHBondContact O-N 2.75Å; K325-Q329 WeakPolarHBondContact O-CB 3.45Å; K325-Q329 PolarHBondContact O-N 3.48Å
326Q97.8Very high97Very high121 Ų12163.3 Ų63.357%0.56534%0.339SS*.Hα-helixtrans-61.6-41.9177.8-167.9-17831.100110.9D323 I328 Q329 R330D323-Q326 HydrophobicContact CB-CB 3.89Å; D323-Q326 PolarHBondContact O-N 3.44Å; D323-Q326 PolarHBondContact OD1-N 2.89Å; D323-Q326 VanDerWaalsContact OD1-N 3.07Å; Q326-I328 PolarHBondContact O-N 2.76Å; Q326-Q329 WeakPolarHBondContact O-CB 3.19Å; Q326-Q329 PolarHBondContact O-N 3.36Å; Q326-R330 HydrophobicContact CG-CG 4.45Å; Q326-R330 VanDerWaalsContact O-CG 3.28Å; Q326-R330 WeakPolarHBondContact O-CG 3.24Å; Q326-R330 PolarHBondContact O-N 3.28Å
327F98Very high97Very high7 Ų763.5 Ų63.53%0.03134%0.34CS..Hα-helixtrans-59.4-47.8177.6-172.2-96.3000112.8F299 Q322 D323 K325 Q329 R330 L331 I339 Y351 L372 V375F299-F327 HydrophobicContact CE2-CZ 4.48Å; F299-F327 HydrophobicContact CZ-CE1 4.25Å; F299-F327 HydrophobicContact CZ-CE2 4.43Å; F299-F327 AromaticContact CZ-CZ 3.77Å; F299-F327 HydrophobicContact CZ-CZ 3.77Å; Q322-F327 HydrophobicContact CG-CB 4.3Å; Q322-F327 HydrophobicContact CG-CD2 4.43Å; Q322-F327 VanDerWaalsContact NE2-CE2 3.3Å; D323-F327 WeakPolarHBondContact O-CB 3.39Å; D323-F327 PolarHBondContact O-N 2.94Å; K325-F327 VanDerWaalsContact C-N 3.3Å; K325-F327 PolarHBondContact O-N 3.05Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 2.64Å; F327-R330 PolarHBondContact O-N 3.05Å; F327-L331 HydrophobicContact CD1-CD1 3.93Å; F327-L331 HydrophobicContact CE1-CD1 3.61Å; F327-L331 HydrophobicContact CE1-CG 4.33Å; F327-L331 HydrophobicContact CZ-CD1 4.38Å; F327-L331 PolarHBondContact O-N 3.06Å; F327-L331 VanDerWaalsContact O-N 3.12Å; F327-I339 HydrophobicContact CE1-CD1 4.46Å; F327-Y351 HydrophobicContact CB-CE1 4.23Å; F327-Y351 WeakPolarHBondContact CB-OH 3.49Å; F327-Y351 HydrophobicContact CD1-CD1 4.38Å; F327-Y351 AromaticContact CD1-CE1 3.73Å; F327-Y351 HydrophobicContact CD1-CE1 3.73Å; F327-Y351 AromaticContact CD1-CE2 3.9Å; F327-Y351 HydrophobicContact CD1-CE2 3.9Å; F327-Y351 AromaticContact CD1-CZ 3.44Å; F327-Y351 VanDerWaalsContact CD1-CZ 3.44Å; F327-Y351 WeakPolarHBondContact CD1-OH 3.38Å; F327-Y351 HydrophobicContact CE1-CE2 4.18Å; F327-Y351 HydrophobicContact CG-CE1 4.35Å; F327-Y351 AromaticContact CG-CZ 3.86Å; F327-Y351 WeakPolarHBondContact CG-OH 3.45Å; F327-L372 HydrophobicContact CE1-CD2 3.63Å; F327-L372 HydrophobicContact CZ-CD2 3.71Å; F327-V375 HydrophobicContact CD2-CB 4.28Å; F327-V375 HydrophobicContact CD2-CG1 3.39Å; F327-V375 HydrophobicContact CE2-CB 3.77Å; F327-V375 HydrophobicContact CE2-CG1 3.41Å; F327-V375 VanDerWaalsContact CE2-CG1 3.41Å; F327-V375 HydrophobicContact CG-CG1 4.19Å; F327-V375 HydrophobicContact CZ-CB 4.28Å; F327-V375 HydrophobicContact CZ-CG1 4.21Å
328I97.9Very high97Very high27 Ų2764.3 Ų64.314%0.13834%0.342CS..Hα-helixtrans-61.9-43.5175.5-66.5174.4000110.6W324 K325 Q326 R330 L331 F332 I339 Y351W324-I328 HydrophobicContact CE3-CD1 3.76Å; W324-I328 HydrophobicContact CZ3-CD1 3.96Å; W324-I328 WeakPolarHBondContact O-CG1 3.48Å; W324-I328 PolarHBondContact O-N 2.85Å; K325-I328 PolarHBondContact O-N 2.75Å; Q326-I328 PolarHBondContact O-N 2.76Å; I328-R330 VanDerWaalsContact C-N 3.29Å; I328-R330 PolarHBondContact O-N 3Å; I328-L331 PolarHBondContact O-N 3.36Å; I328-F332 PolarHBondContact O-N 3.43Å; I328-I339 HydrophobicContact CG1-CD1 4.37Å; I328-I339 HydrophobicContact CG1-CG1 4.03Å; I328-I339 WeakPolarHBondContact CG2-O 3.32Å; I328-Y351 HydrophobicContact CD1-CD1 3.92Å; I328-Y351 HydrophobicContact CD1-CE1 4.13Å; I328-Y351 HydrophobicContact CG1-CD1 3.77Å; I328-Y351 HydrophobicContact CG1-CE1 3.77Å
329Q98Very high97Very high107 Ų10763.2 Ų63.250%0.534%0.335SS..Hα-helixtrans-59.6-42.3179.6-174.162.632.200111.4K325 Q326 F327 F332 T333K325-Q329 WeakPolarHBondContact O-CB 3.45Å; K325-Q329 PolarHBondContact O-N 3.48Å; Q326-Q329 WeakPolarHBondContact O-CB 3.19Å; Q326-Q329 PolarHBondContact O-N 3.36Å; F327-Q329 VanDerWaalsContact C-N 3.33Å; F327-Q329 PolarHBondContact O-N 2.64Å; Q329-F332 WeakPolarHBondContact O-CB 3.48Å; Q329-F332 PolarHBondContact O-N 2.83Å; Q329-T333 HydrophobicContact CG-CG2 4.44Å; Q329-T333 PolarHBondContact O-N 3.03Å; Q329-T333 PolarHBondContact O-OG1 3.07Å
330R98Very high97.1Very high44 Ų4462 Ų6217%0.16633%0.332CS..Hα-helixtrans-63.7-45.1177.5-70.7178.668-164.6-1.3112Q326 F327 I328 F332 T333 E334 V375 M378Q326-R330 HydrophobicContact CG-CG 4.45Å; Q326-R330 VanDerWaalsContact O-CG 3.28Å; Q326-R330 WeakPolarHBondContact O-CG 3.24Å; Q326-R330 PolarHBondContact O-N 3.28Å; F327-R330 PolarHBondContact O-N 3.05Å; I328-R330 VanDerWaalsContact C-N 3.29Å; I328-R330 PolarHBondContact O-N 3Å; R330-F332 VanDerWaalsContact C-N 3.25Å; R330-F332 PolarHBondContact O-N 3.29Å; R330-T333 PolarHBondContact O-N 3.36Å; R330-E334 WeakPolarHBondContact CB-OE1 3.34Å; R330-E334 VanDerWaalsContact CG-OE1 3.3Å; R330-E334 WeakPolarHBondContact CG-OE1 3.37Å; R330-E334 IonicContact CZ-OE1 3.99Å; R330-E334 IonicContact NE-OE1 3.08Å; R330-E334 PolarHBondContact NE-OE1 3.39Å; R330-E334 VanDerWaalsContact NE-OE1 3.08Å; R330-E334 IonicContact NE-OE2 3.91Å; R330-E334 IonicContact NH2-OE1 3.61Å; R330-E334 IonicContact NH2-OE2 3.91Å; R330-E334 WeakPolarHBondContact O-CB 3.41Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 3.41Å; R330-V375 HydrophobicContact CB-CG1 3.77Å; R330-V375 HydrophobicContact CB-CG2 4.29Å; R330-V375 PolarHBondContact NH1-O 3.07Å; R330-M378 PolarHBondContact NH1-OXT 3.19Å; R330-M378 VanDerWaalsContact NH2-CB 3.32Å; R330-M378 PolarHBondContact NH2-SD 3.24Å
331L98.1Very high97.3Very high1 Ų156.2 Ų56.21%0.00530%0.296CS..Hα-helixtrans-56.6-41.7172.8-70.5169.3000112F327 I328 H335 N336 I337 I339 A371 L372 V375F327-L331 HydrophobicContact CD1-CD1 3.93Å; F327-L331 HydrophobicContact CE1-CD1 3.61Å; F327-L331 HydrophobicContact CE1-CG 4.33Å; F327-L331 HydrophobicContact CZ-CD1 4.38Å; F327-L331 PolarHBondContact O-N 3.06Å; F327-L331 VanDerWaalsContact O-N 3.12Å; I328-L331 PolarHBondContact O-N 3.36Å; L331-H335 CarbonylContact O-C 3.6Å; L331-H335 WeakPolarHBondContact O-CA 3.47Å; L331-H335 WeakPolarHBondContact O-CB 3.49Å; L331-H335 PolarHBondContact O-N 2.97Å; L331-H335 VanDerWaalsContact O-N 3.13Å; L331-N336 PolarHBondContact O-N 3.03Å; L331-I337 CarbonylContact C-O 3.16Å; L331-I337 VanDerWaalsContact C-O 3.28Å; L331-I337 PolarHBondContact O-N 3.26Å; L331-I337 VanDerWaalsContact O-N 3.11Å; L331-I339 HydrophobicContact CD1-CD1 3.33Å; L331-I339 HydrophobicContact CD1-CG1 3.76Å; L331-A371 HydrophobicContact CD2-CB 3.84Å; L331-L372 HydrophobicContact CD1-CD2 3.93Å; L331-L372 HydrophobicContact CD2-CD2 4.3Å; L331-V375 HydrophobicContact CD2-CB 4.4Å; L331-V375 HydrophobicContact CD2-CG2 3.79Å; L331-V375 HydrophobicContact CG-CG2 4.22Å
332F97.2Very high97.5Very high59 Ų5952.4 Ų52.426%0.25926%0.256SS..Hα-helixtrans-68.5-44.1-179.9-175.9-95.7000112.9R15 I328 Q329 R330 N336 I337R15-F332 HydrophobicContact CG-CE2 4.42Å; R15-F332 VanDerWaalsContact CZ-CZ 3.45Å; R15-F332 PolarHBondContact NH1-O 3.47Å; I328-F332 PolarHBondContact O-N 3.43Å; Q329-F332 WeakPolarHBondContact O-CB 3.48Å; Q329-F332 PolarHBondContact O-N 2.83Å; R330-F332 VanDerWaalsContact C-N 3.25Å; R330-F332 PolarHBondContact O-N 3.29Å; F332-N336 WeakPolarHBondContact O-CA 3.33Å; F332-N336 PolarHBondContact O-N 2.91Å; F332-I337 VanDerWaalsContact CA-O 3.25Å; F332-I337 WeakPolarHBondContact CA-O 3.31Å; F332-I337 PolarHBondContact N-O 3.19Å
333T96.8Very high97.6Very high84 Ų8452.7 Ų52.752%0.51526%0.259SS..Hα-helixtrans-83.7-39.6-175.652.90000113.7Q329 R330Q329-T333 HydrophobicContact CG-CG2 4.44Å; Q329-T333 PolarHBondContact O-N 3.03Å; Q329-T333 PolarHBondContact O-OG1 3.07Å; R330-T333 PolarHBondContact O-N 3.36Å
334E97.3Very high97.5Very high93 Ų9349.9 Ų49.944%0.43525%0.251SS..Hα-helixtrans-89.8-30-173.6-57.7171.3-153.600111.9R330R330-E334 WeakPolarHBondContact CB-OE1 3.34Å; R330-E334 VanDerWaalsContact CG-OE1 3.3Å; R330-E334 WeakPolarHBondContact CG-OE1 3.37Å; R330-E334 IonicContact CZ-OE1 3.99Å; R330-E334 IonicContact NE-OE1 3.08Å; R330-E334 PolarHBondContact NE-OE1 3.39Å; R330-E334 VanDerWaalsContact NE-OE1 3.08Å; R330-E334 IonicContact NE-OE2 3.91Å; R330-E334 IonicContact NH2-OE1 3.61Å; R330-E334 IonicContact NH2-OE2 3.91Å; R330-E334 WeakPolarHBondContact O-CB 3.41Å; R330-E334 WeakPolarHBondContact O-CG 3.48Å; R330-E334 PolarHBondContact O-N 3.41Å
335H97.2Very high97.3Very high58 Ų5849.5 Ų49.527%0.26926%0.263SS..Hα-helixtrans-122.7-0.2-173.6-61.2-76.3000115L331 I337 A371L331-H335 CarbonylContact O-C 3.6Å; L331-H335 WeakPolarHBondContact O-CA 3.47Å; L331-H335 WeakPolarHBondContact O-CB 3.49Å; L331-H335 PolarHBondContact O-N 2.97Å; L331-H335 VanDerWaalsContact O-N 3.13Å; H335-I337 HydrophobicContact CB-CB 4.5Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.37Å; H335-I337 PolarHBondContact O-N 3.47Å; H335-A371 HydrophobicContact CB-CB 3.87Å
336N96.9Very high97.3Very high50 Ų5043.4 Ų43.427%0.26724%0.237SC..  trans61.125-179.3-15651.3000113.6E14 R15 Y16 L331 F332E14-N336 PolarHBondContact O-ND2 2.94Å; R15-N336 WeakPolarHBondContact CD-OD1 3.48Å; R15-N336 VanDerWaalsContact CZ-OD1 3.3Å; R15-N336 PolarHBondContact NE-OD1 3.1Å; R15-N336 PolarHBondContact NH1-OD1 2.9Å; Y16-N336 PolarHBondContact N-O 3.34Å; L331-N336 PolarHBondContact O-N 3.03Å; F332-N336 WeakPolarHBondContact O-CA 3.33Å; F332-N336 PolarHBondContact O-N 2.91Å
337I98.2Very high97.2Very high3 Ų341.6 Ų41.62%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-109.9126.2-175.3-74.1166000109.9Y16 F18 L331 F332 H335 I339 R367 A371Y16-I337 HydrophobicContact CD2-CG1 4.34Å; F18-I337 HydrophobicContact CD2-CG1 4.17Å; F18-I337 HydrophobicContact CD2-CG2 3.79Å; F18-I337 HydrophobicContact CE2-CD1 4.38Å; F18-I337 HydrophobicContact CE2-CG1 4.1Å; L331-I337 CarbonylContact C-O 3.16Å; L331-I337 VanDerWaalsContact C-O 3.28Å; L331-I337 PolarHBondContact O-N 3.26Å; L331-I337 VanDerWaalsContact O-N 3.11Å; F332-I337 VanDerWaalsContact CA-O 3.25Å; F332-I337 WeakPolarHBondContact CA-O 3.31Å; F332-I337 PolarHBondContact N-O 3.19Å; H335-I337 HydrophobicContact CB-CB 4.5Å; H335-I337 HydrophobicContact CB-CD1 4.04Å; H335-I337 HydrophobicContact CB-CG1 4.37Å; H335-I337 PolarHBondContact O-N 3.47Å; I337-I339 HydrophobicContact CG2-CG2 4.02Å; I337-R367 HydrophobicContact CD1-CG 3.99Å; I337-A371 HydrophobicContact CD1-CB 3.47Å; I337-A371 VanDerWaalsContact CD1-CB 3.47Å
338E97.9Very high97.2Very high67 Ų6742.6 Ų42.631%0.31325%0.246SC..EExtended strand (participates in β ladder)trans-94.9125.8167.5-172.7-178.7129.300109.7Y16 L17 F18 G19Y16-E338 PolarHBondContact O-N 2.85Å; L17-E338 HydrophobicContact CD2-CB 4.15Å; F18-E338 CarbonylContact C-O 3.28Å; F18-E338 WeakPolarHBondContact CA-O 3.17Å; F18-E338 WeakPolarHBondContact CB-O 3.22Å; F18-E338 PolarHBondContact N-O 2.85Å; G19-E338 PolarHBondContact N-O 3.2Å
339I98.1Very high97.2Very high5 Ų547.6 Ų47.63%0.02627%0.267CS..  trans-124.7166.1158.467172.6000107.2F18 F327 I328 L331 I337 Y351 I353F18-I339 HydrophobicContact CB-CG2 4.22Å; F327-I339 HydrophobicContact CE1-CD1 4.46Å; I328-I339 HydrophobicContact CG1-CD1 4.37Å; I328-I339 HydrophobicContact CG1-CG1 4.03Å; I328-I339 WeakPolarHBondContact CG2-O 3.32Å; L331-I339 HydrophobicContact CD1-CD1 3.33Å; L331-I339 HydrophobicContact CD1-CG1 3.76Å; I337-I339 HydrophobicContact CG2-CG2 4.02Å; I339-Y351 HydrophobicContact CD1-CD1 4.1Å; I339-Y351 HydrophobicContact CD1-CG 4.13Å; I339-I353 HydrophobicContact CG2-CG1 4.15Å
340A98Very high97.2Very high18 Ų1842.6 Ų42.615%0.14924%0.243CC..EExtended strand (participates in β ladder)trans-106.7156.5176.200000112.4P20 Y351 R352P20-A340 HydrophobicContact CG-CB 3.99Å; A340-Y351 CarbonylContact O-C 3.56Å; A340-Y351 VanDerWaalsContact O-CA 3.32Å; A340-Y351 WeakPolarHBondContact O-CA 3.34Å; A340-R352 HydrophobicContact CB-CB 4.46Å; A340-R352 PolarHBondContact N-O 3.13Å; A340-R352 PolarHBondContact O-N 3.03Å
341G98.2Very high97.3Very high9 Ų940.5 Ų40.59%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-72.3177.9159.400000110.9I350 R352G341-I350 CarbonylContact C-O 3.41Å; G341-R352 PolarHBondContact O-NE 3.16Å; G341-R352 PolarHBondContact O-NH2 2.76Å
342G97.7Very high97.3Very high11 Ų1141.4 Ų41.411%0.11324%0.239CC..  trans-60.1168.4171.600000113.8T346 I350G342-T346 WeakPolarHBondContact CA-O 3.43Å; G342-T346 WeakPolarHBondContact CA-OG1 3.49Å; G342-I350 PolarHBondContact N-O 3.33Å
343L96.5Very high97.4Very high52 Ų5238.6 Ų38.627%0.27223%0.226SC..  trans-136.3136.9-176-178.264.4000109.4M99 W100 A345 T346M99-L343 HydrophobicContact CB-CD2 4.22Å; M99-L343 HydrophobicContact CB-CG 4.31Å; M99-L343 HydrophobicContact CE-CD1 4.48Å; M99-L343 HydrophobicContact CE-CG 4.2Å; M99-L343 HydrophobicContact CG-CD2 3.89Å; M99-L343 HydrophobicContact CG-CG 4.08Å; W100-L343 HydrophobicContact CH2-CD2 4.24Å; W100-L343 HydrophobicContact CZ2-CD2 4.42Å; L343-A345 PolarHBondContact O-N 2.8Å; L343-T346 PolarHBondContact N-OG1 3.23Å; L343-T346 PolarHBondContact O-N 2.91Å; L343-T346 PolarHBondContact O-OG1 3.33Å
344G94.5Very high97.4Very high30 Ų3034.6 Ų34.631%0.30920%0.202SC..G310 helixtrans60.5-126.2-174.600000111.9T346 V347G344-T346 PolarHBondContact O-N 3.01Å; G344-V347 VanDerWaalsContact O-CG2 3.29Å; G344-V347 WeakPolarHBondContact O-CG2 2.86Å; G344-V347 PolarHBondContact O-N 3.23Å
345A93.8Very high97.4Very high61 Ų6130.2 Ų30.250%0.50418%0.182SC..G310 helixtrans-61.6-13.2-178.500000115P122 L343 K349P122-A345 HydrophobicContact CG-CB 3.67Å; L343-A345 PolarHBondContact O-N 2.8Å; A345-K349 WeakPolarHBondContact O-CE 3.38Å; A345-K349 PolarHBondContact O-NZ 3.37Å
346T96.8Very high97.4Very high4 Ų427.4 Ų27.43%0.02517%0.169CC..G310 helixtrans-99.20.1-179.866.30000114.5P122 S151 T152 L302 G342 L343 G344 G348 K349 I350P122-T346 HydrophobicContact CB-CG2 3.57Å; P122-T346 HydrophobicContact CG-CG2 4.13Å; S151-T346 WeakPolarHBondContact O-CG2 3.25Å; S151-T346 PolarHBondContact O-OG1 2.92Å; T152-T346 HydrophobicContact CG2-CG2 4.29Å; L302-T346 HydrophobicContact CD2-CG2 4.18Å; G342-T346 WeakPolarHBondContact CA-O 3.43Å; G342-T346 WeakPolarHBondContact CA-OG1 3.49Å; L343-T346 PolarHBondContact N-OG1 3.23Å; L343-T346 PolarHBondContact O-N 2.91Å; L343-T346 PolarHBondContact O-OG1 3.33Å; G344-T346 PolarHBondContact O-N 3.01Å; T346-G348 PolarHBondContact O-N 3.21Å; T346-K349 WeakPolarHBondContact O-CB 3.42Å; T346-K349 PolarHBondContact O-N 3.11Å; T346-I350 HydrophobicContact CG2-CD1 4.04Å; T346-I350 PolarHBondContact O-N 2.66Å
347V97.3Very high97.4Very high83 Ų8325.3 Ų25.350%0.50316%0.159SC..THydrogen-bonded Turntrans-54.2127.9178.3171.50000111.1G344 K349G344-V347 VanDerWaalsContact O-CG2 3.29Å; G344-V347 WeakPolarHBondContact O-CG2 2.86Å; G344-V347 PolarHBondContact O-N 3.23Å; V347-K349 PolarHBondContact O-N 2.79Å
348G97.3Very high97.4Very high28 Ų2828.5 Ų28.529%0.28917%0.174SC..THydrogen-bonded Turntrans71.1-0.2-178.700000115.7T346T346-G348 PolarHBondContact O-N 3.21Å
349K97.8Very high97.4Very high133 Ų13325.5 Ų25.558%0.57816%0.16SC*.THydrogen-bonded Turntrans-103-31.7-179.5-58.9177.5-173.7165.30112.8N317 V318 A345 T346 V347N317-K349 WeakPolarHBondContact CA-O 3.3Å; V318-K349 PolarHBondContact N-O 3.45Å; A345-K349 WeakPolarHBondContact O-CE 3.38Å; A345-K349 PolarHBondContact O-NZ 3.37Å; T346-K349 WeakPolarHBondContact O-CB 3.42Å; T346-K349 PolarHBondContact O-N 3.11Å; V347-K349 PolarHBondContact O-N 2.79Å
350I98.4Very high97.4Very high1 Ų125.3 Ų25.31%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-132.3159.2-178.574.6177.7000112.3S151 L302 I316 G341 G342 T346 R352S151-I350 WeakPolarHBondContact O-CD1 3.29Å; L302-I350 HydrophobicContact CB-CG2 4.21Å; L302-I350 HydrophobicContact CD1-CG2 4.33Å; L302-I350 HydrophobicContact CD2-CD1 4.22Å; L302-I350 HydrophobicContact CD2-CG2 4.18Å; L302-I350 HydrophobicContact CG-CG2 4.47Å; I316-I350 CarbonylContact O-C 3.44Å; I316-I350 WeakPolarHBondContact O-CA 3.39Å; I316-I350 VanDerWaalsContact O-CB 3.23Å; I316-I350 WeakPolarHBondContact O-CB 3.31Å; G341-I350 CarbonylContact C-O 3.41Å; G342-I350 PolarHBondContact N-O 3.33Å; T346-I350 HydrophobicContact CG2-CD1 4.04Å; T346-I350 PolarHBondContact O-N 2.66Å; I350-R352 HydrophobicContact CD1-CG 3.71Å; I350-R352 HydrophobicContact CG1-CG 4.05Å
351Y98.7Very high97.4Very high0 Ų026.7 Ų26.70%017%0.165CC..EExtended strand (participates in β ladder)trans-97.2154.9151.9-50.8-73.4000110.1F299 G315 I316 V318 Q322 W324 F327 I328 I339 A340F299-Y351 HydrophobicContact CE1-CD2 4.3Å; F299-Y351 HydrophobicContact CE1-CE2 4.14Å; G315-Y351 CarbonylContact C-O 3.57Å; G315-Y351 WeakPolarHBondContact CA-O 3.48Å; I316-Y351 HydrophobicContact CD1-CD2 4.15Å; I316-Y351 HydrophobicContact CG1-CD2 4.05Å; I316-Y351 HydrophobicContact CG1-CG 4.43Å; I316-Y351 PolarHBondContact N-O 3.27Å; I316-Y351 PolarHBondContact O-N 3.15Å; V318-Y351 HydrophobicContact CB-CE2 4.29Å; V318-Y351 HydrophobicContact CG2-CD2 4.26Å; V318-Y351 HydrophobicContact CG2-CE1 4.31Å; V318-Y351 HydrophobicContact CG2-CE2 3.87Å; Q322-Y351 VanDerWaalsContact CD-OH 3.24Å; Q322-Y351 PolarHBondContact OE1-OH 3.42Å; W324-Y351 VanDerWaalsContact CA-OH 3.29Å; W324-Y351 WeakPolarHBondContact CA-OH 3.08Å; W324-Y351 HydrophobicContact CB-CE1 3.77Å; W324-Y351 WeakPolarHBondContact O-CE1 3.23Å; F327-Y351 HydrophobicContact CB-CE1 4.23Å; F327-Y351 WeakPolarHBondContact CB-OH 3.49Å; F327-Y351 HydrophobicContact CD1-CD1 4.38Å; F327-Y351 AromaticContact CD1-CE1 3.73Å; F327-Y351 HydrophobicContact CD1-CE1 3.73Å; F327-Y351 AromaticContact CD1-CE2 3.9Å; F327-Y351 HydrophobicContact CD1-CE2 3.9Å; F327-Y351 AromaticContact CD1-CZ 3.44Å; F327-Y351 VanDerWaalsContact CD1-CZ 3.44Å; F327-Y351 WeakPolarHBondContact CD1-OH 3.38Å; F327-Y351 HydrophobicContact CE1-CE2 4.18Å; F327-Y351 HydrophobicContact CG-CE1 4.35Å; F327-Y351 AromaticContact CG-CZ 3.86Å; F327-Y351 WeakPolarHBondContact CG-OH 3.45Å; I328-Y351 HydrophobicContact CD1-CD1 3.92Å; I328-Y351 HydrophobicContact CD1-CE1 4.13Å; I328-Y351 HydrophobicContact CG1-CD1 3.77Å; I328-Y351 HydrophobicContact CG1-CE1 3.77Å; I339-Y351 HydrophobicContact CD1-CD1 4.1Å; I339-Y351 HydrophobicContact CD1-CG 4.13Å; A340-Y351 CarbonylContact O-C 3.56Å; A340-Y351 VanDerWaalsContact O-CA 3.32Å; A340-Y351 WeakPolarHBondContact O-CA 3.34Å
352R98.7Very high97.4Very high20 Ų2030.5 Ų30.58%0.07518%0.184CC..EExtended strand (participates in β ladder)trans-124.1115.7178.4-64-174.1-64.6143.41.6109.3P20 S150 L313 A340 G341 I350P20-R352 VanDerWaalsContact CG-NH1 3.35Å; S150-R352 VanDerWaalsContact O-CD 3.3Å; S150-R352 WeakPolarHBondContact O-CD 3.37Å; S150-R352 PolarHBondContact O-NH1 3.25Å; L313-R352 HydrophobicContact CD1-CB 4.33Å; A340-R352 HydrophobicContact CB-CB 4.46Å; A340-R352 PolarHBondContact N-O 3.13Å; A340-R352 PolarHBondContact O-N 3.03Å; G341-R352 PolarHBondContact O-NE 3.16Å; G341-R352 PolarHBondContact O-NH2 2.76Å; I350-R352 HydrophobicContact CD1-CG 3.71Å; I350-R352 HydrophobicContact CG1-CG 4.05Å
353I98.7Very high97.5Very high0 Ų035.3 Ų35.30%020%0.203CC..EExtended strand (participates in β ladder)trans-108.9113.8-178.8-56.4176.5000108.1F18 L290 L294 L313 T314 I316 I339 I368 L372F18-I353 CarbonylContact O-C 3.48Å; F18-I353 VanDerWaalsContact O-CA 3.32Å; F18-I353 WeakPolarHBondContact O-CA 3.47Å; L290-I353 HydrophobicContact CD2-CG2 4.04Å; L294-I353 HydrophobicContact CD2-CD1 4.12Å; L313-I353 WeakPolarHBondContact CA-O 3.28Å; T314-I353 PolarHBondContact N-O 3.29Å; T314-I353 PolarHBondContact O-N 2.91Å; I316-I353 HydrophobicContact CD1-CD1 3.65Å; I316-I353 HydrophobicContact CD1-CG1 4.45Å; I316-I353 HydrophobicContact CG1-CD1 4.35Å; I339-I353 HydrophobicContact CG2-CG1 4.15Å; I353-I368 HydrophobicContact CD1-CG2 4.29Å; I353-I368 HydrophobicContact CG2-CD1 4.07Å; I353-I368 HydrophobicContact CG2-CG2 4.23Å; I353-L372 HydrophobicContact CD1-CD1 3.81Å
354G98.2Very high97.6Very high1 Ų133.7 Ų33.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-90.9125.8173.800000111.6F18 G19 S312F18-G354 WeakPolarHBondContact CA-O 3.4Å; F18-G354 PolarHBondContact O-N 3.03Å; G19-G354 VanDerWaalsContact O-CA 3.28Å; G19-G354 WeakPolarHBondContact O-CA 3.44Å; G19-G354 PolarHBondContact O-N 3.07Å; S312-G354 WeakPolarHBondContact O-CA 3.48Å
355L97.4Very high97.8Very high0 Ų032.2 Ų32.20%018%0.18CC..  trans-129.276.3175.8-171.370.6000107.8N286 L290 S312 N359 N364 V365 I368N286-L355 HydrophobicContact CB-CD2 3.74Å; L290-L355 HydrophobicContact CB-CD2 4.34Å; L290-L355 HydrophobicContact CD2-CD2 4.24Å; S312-L355 PolarHBondContact O-N 3.16Å; L355-N359 WeakPolarHBondContact CD1-O 3.38Å; L355-N364 HydrophobicContact CD1-CB 4.38Å; L355-V365 HydrophobicContact CD1-CG2 4.13Å; L355-V365 HydrophobicContact CD2-CG2 3.49Å; L355-V365 VanDerWaalsContact CD2-CG2 3.49Å; L355-V365 HydrophobicContact CG-CG2 4.45Å; L355-I368 HydrophobicContact CD1-CD1 4.16Å
356M96.9Very high98Very high0 Ų031 Ų310%017%0.166CC..  trans-139.3151.8-166.177.5-169.183.100112.2T23 M178 K201 V202 S312 L313 H358 N359T23-M356 HydrophobicContact CG2-CG 3.23Å; T23-M356 HydrophobicContact CG2-SD 3.82Å; M178-M356 HydrophobicContact CE-CE 3.8Å; M178-M356 HydrophobicContact CE-SD 4.09Å; M178-M356 HydrophobicContact SD-CE 3.52Å; M178-M356 VanDerWaalsContact SD-CE 3.52Å; M178-M356 HydrophobicContact SD-SD 3.44Å; K201-M356 HydrophobicContact CB-SD 3.94Å; K201-M356 HydrophobicContact CD-SD 4.09Å; V202-M356 HydrophobicContact CG2-CB 4.18Å; S312-M356 WeakPolarHBondContact O-CE 3.39Å; L313-M356 HydrophobicContact CD1-CE 4.42Å; M356-H358 PolarHBondContact O-N 2.82Å; M356-N359 WeakPolarHBondContact O-CB 3.46Å; M356-N359 PolarHBondContact O-N 3.44Å
357G97Very high98.1Very high5 Ų534.5 Ų34.55%0.05218%0.179CC..G310 helixtrans57.6-128.3179.900000112.6V202 S204 R282 H283 N359 S360V202-G357 WeakPolarHBondContact O-CA 3.44Å; S204-G357 WeakPolarHBondContact OG-CA 3.29Å; R282-G357 PolarHBondContact NH1-O 2.99Å; H283-G357 PolarHBondContact NE2-N 3.43Å; G357-N359 PolarHBondContact O-N 2.94Å; G357-S360 PolarHBondContact O-N 3.42Å
358H97.3Very high98.1Very high71 Ų7130.7 Ų30.733%0.32916%0.156SC..G310 helixtrans-59.1-29.8176.7-170.853.1000112.8L25 L26 S204 M356 S360L25-H358 PolarHBondContact O-CD2 2.78Å; L26-H358 HydrophobicContact CD2-CB 3.84Å; L26-H358 HydrophobicContact CG-CB 4.01Å; S204-H358 PolarHBondContact OG-N 3.47Å; M356-H358 PolarHBondContact O-N 2.82Å; H358-S360 VanDerWaalsContact C-N 3.29Å; H358-S360 PolarHBondContact O-N 3.02Å
359N98.3Very high98.2Very high4 Ų430.4 Ų30.42%0.02115%0.147CC..G310 helixtrans-77-15.9-177-730000113L17 F18 N24 L355 M356 G357 T361 N364L17-N359 PolarHBondContact O-ND2 3.39Å; F18-N359 HydrophobicContact CD1-CB 4.25Å; F18-N359 HydrophobicContact CE1-CB 4.1Å; N24-N359 WeakPolarHBondContact CB-OD1 3.42Å; N24-N359 PolarHBondContact N-ND2 2.97Å; N24-N359 PolarHBondContact OD1-ND2 3.2Å; N24-N359 PolarHBondContact OD1-OD1 2.89Å; L355-N359 WeakPolarHBondContact CD1-O 3.38Å; M356-N359 WeakPolarHBondContact O-CB 3.46Å; M356-N359 PolarHBondContact O-N 3.44Å; G357-N359 PolarHBondContact O-N 2.94Å; N359-T361 VanDerWaalsContact C-N 3.35Å; N359-T361 PolarHBondContact O-N 3Å; N359-N364 WeakPolarHBondContact O-CB 3.43Å; N359-N364 PolarHBondContact O-ND2 2.91Å
360S98.4Very high98.2Very high0 Ų032.5 Ų32.50%015%0.152CC..  trans-77.283178.9-176.50000111.7R282 N286 G357 H358R282-S360 WeakPolarHBondContact CD-O 3.34Å; R282-S360 PolarHBondContact NH1-O 3.34Å; N286-S360 PolarHBondContact ND2-O 3.06Å; N286-S360 PolarHBondContact ND2-OG 3.31Å; N286-S360 VanDerWaalsContact ND2-OG 3.08Å; G357-S360 PolarHBondContact O-N 3.42Å; H358-S360 VanDerWaalsContact C-N 3.29Å; H358-S360 PolarHBondContact O-N 3.02Å
361T98.4Very high98.2Very high47 Ų4732.6 Ų32.629%0.28815%0.153SC..SBendtrans-136.2153.5175.871.60000111N286 N359 E363 N364 V365N286-T361 PolarHBondContact ND2-N 3.44Å; N359-T361 VanDerWaalsContact C-N 3.35Å; N359-T361 PolarHBondContact O-N 3Å; T361-E363 VanDerWaalsContact C-N 3.28Å; T361-E363 PolarHBondContact O-N 2.99Å; T361-N364 PolarHBondContact O-N 3.19Å; T361-N364 WeakPolarHBondContact OG1-CB 3.2Å; T361-N364 PolarHBondContact OG1-N 3.12Å; T361-N364 PolarHBondContact OG1-ND2 2.84Å; T361-V365 WeakPolarHBondContact O-CG2 3.46Å; T361-V365 PolarHBondContact O-N 3.03Å
362N98.1Very high98.1Very high90 Ų9032.8 Ų32.848%0.48115%0.153SC..Hα-helixtrans-62.7-35.5177.5-167.1-8.1000112.4N286 H289 N364 V365 T366N286-N362 PolarHBondContact OD1-N 3.29Å; H289-N362 PolarHBondContact CE1-OD1 2.98Å; H289-N362 PolarHBondContact ND1-OD1 2.85Å; N362-N364 VanDerWaalsContact C-N 3.35Å; N362-N364 PolarHBondContact O-N 3.18Å; N362-V365 PolarHBondContact O-N 3.13Å; N362-T366 PolarHBondContact O-N 3.31Å; N362-T366 PolarHBondContact O-OG1 3.21Å; N362-T366 VanDerWaalsContact O-OG1 3.07Å
363E98.4Very high98.1Very high111 Ų11135.8 Ų35.852%0.51917%0.167SC..Hα-helixtrans-60.3-44.3174.4178.559.2-161.600111.4T361 T366 R367T361-E363 VanDerWaalsContact C-N 3.28Å; T361-E363 PolarHBondContact O-N 2.99Å; E363-T366 PolarHBondContact O-N 3.48Å; E363-R367 WeakPolarHBondContact O-CB 3.2Å; E363-R367 PolarHBondContact O-N 3.24Å; E363-R367 IonicContact OE1-NH2 2.76Å
364N98.5Very high98Very high18 Ų1837.5 Ų37.510%0.09618%0.181CC..Hα-helixtrans-68.3-37.2177.2-74.5-22.8000112.4F18 L355 N359 T361 N362 T366 R367 I368F18-N364 HydrophobicContact CE1-CB 3.81Å; F18-N364 HydrophobicContact CZ-CB 3.68Å; L355-N364 HydrophobicContact CD1-CB 4.38Å; N359-N364 WeakPolarHBondContact O-CB 3.43Å; N359-N364 PolarHBondContact O-ND2 2.91Å; T361-N364 PolarHBondContact O-N 3.19Å; T361-N364 WeakPolarHBondContact OG1-CB 3.2Å; T361-N364 PolarHBondContact OG1-N 3.12Å; T361-N364 PolarHBondContact OG1-ND2 2.84Å; N362-N364 VanDerWaalsContact C-N 3.35Å; N362-N364 PolarHBondContact O-N 3.18Å; N364-T366 VanDerWaalsContact C-N 3.33Å; N364-T366 PolarHBondContact O-N 3.37Å; N364-R367 PolarHBondContact O-N 2.89Å; N364-I368 WeakPolarHBondContact O-CD1 3.47Å; N364-I368 VanDerWaalsContact O-CG1 3.25Å; N364-I368 WeakPolarHBondContact O-CG1 3.39Å; N364-I368 PolarHBondContact O-N 3.28Å
365V98.7Very high97.9Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-57.3-49.4171.7176.60000110.4N286 H289 L290 L355 T361 N362 R367 I368 L369N286-V365 HydrophobicContact CB-CG2 4.03Å; H289-V365 HydrophobicContact CB-CG1 4.2Å; L290-V365 HydrophobicContact CB-CG1 4.11Å; L290-V365 HydrophobicContact CD1-CG1 4.43Å; L355-V365 HydrophobicContact CD1-CG2 4.13Å; L355-V365 HydrophobicContact CD2-CG2 3.49Å; L355-V365 VanDerWaalsContact CD2-CG2 3.49Å; L355-V365 HydrophobicContact CG-CG2 4.45Å; T361-V365 WeakPolarHBondContact O-CG2 3.46Å; T361-V365 PolarHBondContact O-N 3.03Å; N362-V365 PolarHBondContact O-N 3.13Å; V365-R367 VanDerWaalsContact C-N 3.32Å; V365-R367 PolarHBondContact O-N 3.34Å; V365-I368 PolarHBondContact O-N 2.82Å; V365-L369 HydrophobicContact CG1-CD1 3.8Å; V365-L369 HydrophobicContact CG1-CG 4.39Å; V365-L369 VanDerWaalsContact O-CG 3.3Å; V365-L369 WeakPolarHBondContact O-CG 2.91Å; V365-L369 PolarHBondContact O-N 3.38Å
366T98.4Very high97.8Very high36 Ų3639.1 Ų39.122%0.22119%0.191CC..Hα-helixtrans-60.7-42.7179.2-60.40000111.5N362 E363 N364 L369 R370N362-T366 PolarHBondContact O-N 3.31Å; N362-T366 PolarHBondContact O-OG1 3.21Å; N362-T366 VanDerWaalsContact O-OG1 3.07Å; E363-T366 PolarHBondContact O-N 3.48Å; N364-T366 VanDerWaalsContact C-N 3.33Å; N364-T366 PolarHBondContact O-N 3.37Å; T366-L369 PolarHBondContact O-N 3.49Å; T366-R370 WeakPolarHBondContact O-CB 3.16Å; T366-R370 WeakPolarHBondContact O-CG 3.29Å; T366-R370 PolarHBondContact O-N 3.43Å
367R98.4Very high97.3Very high77 Ų7744 Ų4429%0.29122%0.217SC..Hα-helixtrans-60.7-48.4176.7-178.7179.1-62.1-96.5-4112.3Y16 I337 E363 N364 V365 R370 A371Y16-R367 PolarHBondContact OH-NH1 2.98Å; Y16-R367 PolarHBondContact OH-NH2 2.9Å; I337-R367 HydrophobicContact CD1-CG 3.99Å; E363-R367 WeakPolarHBondContact O-CB 3.2Å; E363-R367 PolarHBondContact O-N 3.24Å; E363-R367 IonicContact OE1-NH2 2.76Å; N364-R367 PolarHBondContact O-N 2.89Å; V365-R367 VanDerWaalsContact C-N 3.32Å; V365-R367 PolarHBondContact O-N 3.34Å; R367-R370 PolarHBondContact O-N 2.9Å; R367-A371 PolarHBondContact O-N 3.18Å; R367-A371 VanDerWaalsContact O-N 3.1Å
368I98.5Very high96.3Very high2 Ų251.2 Ų51.21%0.0125%0.251CS..Hα-helixtrans-57.7-52.2177.4-70.3159.3000110F18 L290 I353 L355 N364 V365 R370 A371 L372F18-I368 HydrophobicContact CB-CD1 4.17Å; F18-I368 HydrophobicContact CB-CG1 4.37Å; F18-I368 HydrophobicContact CD1-CD1 4.05Å; F18-I368 HydrophobicContact CD2-CD1 3.71Å; F18-I368 HydrophobicContact CD2-CG1 3.28Å; F18-I368 HydrophobicContact CE1-CD1 4.38Å; F18-I368 HydrophobicContact CE2-CD1 4.03Å; F18-I368 HydrophobicContact CE2-CG1 3.52Å; F18-I368 HydrophobicContact CG-CD1 3.72Å; F18-I368 HydrophobicContact CG-CG1 3.83Å; F18-I368 HydrophobicContact CZ-CD1 4.37Å; F18-I368 HydrophobicContact CZ-CG1 4.27Å; L290-I368 HydrophobicContact CD1-CG2 3.95Å; I353-I368 HydrophobicContact CD1-CG2 4.29Å; I353-I368 HydrophobicContact CG2-CD1 4.07Å; I353-I368 HydrophobicContact CG2-CG2 4.23Å; L355-I368 HydrophobicContact CD1-CD1 4.16Å; N364-I368 WeakPolarHBondContact O-CD1 3.47Å; N364-I368 VanDerWaalsContact O-CG1 3.25Å; N364-I368 WeakPolarHBondContact O-CG1 3.39Å; N364-I368 PolarHBondContact O-N 3.28Å; V365-I368 PolarHBondContact O-N 2.82Å; I368-R370 PolarHBondContact O-N 3.08Å; I368-A371 PolarHBondContact O-N 2.68Å; I368-L372 HydrophobicContact CG2-CD1 3.64Å; I368-L372 HydrophobicContact CG2-CG 4.2Å; I368-L372 WeakPolarHBondContact O-CB 3.3Å; I368-L372 VanDerWaalsContact O-CG 3.31Å; I368-L372 WeakPolarHBondContact O-CG 3.15Å; I368-L372 PolarHBondContact O-N 3.03Å
369L98.5Very high96.2Very high22 Ų2250.2 Ų50.212%0.11525%0.247CC..Hα-helixtrans-62.7-40.4-175.9-68.6172.5000112.6L290 L294 V365 T366 K373L290-L369 HydrophobicContact CD1-CD2 3.98Å; L290-L369 HydrophobicContact CD1-CG 4.24Å; L294-L369 HydrophobicContact CD2-CD2 4.33Å; L294-L369 HydrophobicContact CG-CD2 4.19Å; V365-L369 HydrophobicContact CG1-CD1 3.8Å; V365-L369 HydrophobicContact CG1-CG 4.39Å; V365-L369 VanDerWaalsContact O-CG 3.3Å; V365-L369 WeakPolarHBondContact O-CG 2.91Å; V365-L369 PolarHBondContact O-N 3.38Å; T366-L369 PolarHBondContact O-N 3.49Å; L369-K373 WeakPolarHBondContact O-CB 3.36Å; L369-K373 PolarHBondContact O-N 3.35Å
370R98.2Very high96.1Very high178 Ų17852.6 Ų52.667%0.67226%0.259SS*.Hα-helixtrans-62.8-46.1175.7-76177.4-179.6168.82.9112T366 R367 I368 K373 A374T366-R370 WeakPolarHBondContact O-CB 3.16Å; T366-R370 WeakPolarHBondContact O-CG 3.29Å; T366-R370 PolarHBondContact O-N 3.43Å; R367-R370 PolarHBondContact O-N 2.9Å; I368-R370 PolarHBondContact O-N 3.08Å; R370-K373 PolarHBondContact O-N 3.25Å; R370-A374 WeakPolarHBondContact O-CB 3.38Å; R370-A374 PolarHBondContact O-N 2.93Å
371A98.2Very high96Very high3 Ų355.6 Ų55.63%0.02527%0.274CS..Hα-helixtrans-65.5-44.4179.200000111.8L331 H335 I337 R367 I368 K373 A374 V375L331-A371 HydrophobicContact CD2-CB 3.84Å; H335-A371 HydrophobicContact CB-CB 3.87Å; I337-A371 HydrophobicContact CD1-CB 3.47Å; I337-A371 VanDerWaalsContact CD1-CB 3.47Å; R367-A371 PolarHBondContact O-N 3.18Å; R367-A371 VanDerWaalsContact O-N 3.1Å; I368-A371 PolarHBondContact O-N 2.68Å; A371-K373 VanDerWaalsContact C-N 3.35Å; A371-K373 PolarHBondContact O-N 3.08Å; A371-A374 PolarHBondContact O-N 3.44Å; A371-V375 WeakPolarHBondContact O-CG2 3.48Å; A371-V375 PolarHBondContact O-N 3.28Å
372L97.8Very high95.9Very high3 Ų356.1 Ų56.12%0.01627%0.273CS..Hα-helixtrans-58.8-46.6175.5-71.1174.5000111.4L294 F299 F327 L331 I353 I368 A374 V375 T376L294-L372 HydrophobicContact CD2-CD1 3.48Å; L294-L372 VanDerWaalsContact CD2-CD1 3.48Å; F299-L372 HydrophobicContact CE2-CB 4.24Å; F299-L372 HydrophobicContact CE2-CD2 4.39Å; F327-L372 HydrophobicContact CE1-CD2 3.63Å; F327-L372 HydrophobicContact CZ-CD2 3.71Å; L331-L372 HydrophobicContact CD1-CD2 3.93Å; L331-L372 HydrophobicContact CD2-CD2 4.3Å; I353-L372 HydrophobicContact CD1-CD1 3.81Å; I368-L372 HydrophobicContact CG2-CD1 3.64Å; I368-L372 HydrophobicContact CG2-CG 4.2Å; I368-L372 WeakPolarHBondContact O-CB 3.3Å; I368-L372 VanDerWaalsContact O-CG 3.31Å; I368-L372 WeakPolarHBondContact O-CG 3.15Å; I368-L372 PolarHBondContact O-N 3.03Å; L372-A374 PolarHBondContact O-N 3.2Å; L372-V375 PolarHBondContact O-N 2.99Å; L372-T376 VanDerWaalsContact O-CB 3.29Å; L372-T376 WeakPolarHBondContact O-CB 3.45Å; L372-T376 PolarHBondContact O-N 3.36Å; L372-T376 PolarHBondContact O-OG1 3.35Å
373K97.2Very high95.7Very high84 Ų8453.9 Ų53.937%0.36526%0.26SS..Hα-helixtrans-60.5-45.4178.1-174.556.8172.1152.10111.9V297 L369 R370 A371 V375 T376 D377V297-K373 HydrophobicContact CG1-CB 4.47Å; V297-K373 HydrophobicContact CG1-CD 4.22Å; V297-K373 HydrophobicContact CG2-CB 4.16Å; V297-K373 HydrophobicContact CG2-CD 4.36Å; L369-K373 WeakPolarHBondContact O-CB 3.36Å; L369-K373 PolarHBondContact O-N 3.35Å; R370-K373 PolarHBondContact O-N 3.25Å; A371-K373 VanDerWaalsContact C-N 3.35Å; A371-K373 PolarHBondContact O-N 3.08Å; K373-V375 PolarHBondContact O-N 3.33Å; K373-T376 PolarHBondContact O-N 2.89Å; K373-D377 VanDerWaalsContact CD-OD2 3.31Å; K373-D377 WeakPolarHBondContact CD-OD2 3.28Å; K373-D377 WeakPolarHBondContact CE-OD2 3.49Å; K373-D377 IonicContact NZ-OD1 3.22Å; K373-D377 PolarHBondContact NZ-OD1 3.47Å; K373-D377 IonicContact NZ-OD2 2.81Å; K373-D377 PolarHBondContact NZ-OD2 3.22Å; K373-D377 WeakPolarHBondContact O-CB 3.43Å; K373-D377 PolarHBondContact O-N 3.31Å
374A97.1Very high95.5Very high36 Ų3650.1 Ų50.130%0.29824%0.242SC..Hα-helixtrans-61.3-44.5179.400000112.6R370 A371 L372 M378R370-A374 WeakPolarHBondContact O-CB 3.38Å; R370-A374 PolarHBondContact O-N 2.93Å; A371-A374 PolarHBondContact O-N 3.44Å; L372-A374 PolarHBondContact O-N 3.2Å; A374-M378 WeakPolarHBondContact O-CE 3.49Å
375V96.6Very high95.3Very high1 Ų152.4 Ų52.41%0.00625%0.253CS..Hα-helixtrans-73.8-30.3179.8-177.60000111.8F327 R330 L331 A371 L372 K373F327-V375 HydrophobicContact CD2-CB 4.28Å; F327-V375 HydrophobicContact CD2-CG1 3.39Å; F327-V375 HydrophobicContact CE2-CB 3.77Å; F327-V375 HydrophobicContact CE2-CG1 3.41Å; F327-V375 VanDerWaalsContact CE2-CG1 3.41Å; F327-V375 HydrophobicContact CG-CG1 4.19Å; F327-V375 HydrophobicContact CZ-CB 4.28Å; F327-V375 HydrophobicContact CZ-CG1 4.21Å; R330-V375 HydrophobicContact CB-CG1 3.77Å; R330-V375 HydrophobicContact CB-CG2 4.29Å; R330-V375 PolarHBondContact NH1-O 3.07Å; L331-V375 HydrophobicContact CD2-CB 4.4Å; L331-V375 HydrophobicContact CD2-CG2 3.79Å; L331-V375 HydrophobicContact CG-CG2 4.22Å; A371-V375 WeakPolarHBondContact O-CG2 3.48Å; A371-V375 PolarHBondContact O-N 3.28Å; L372-V375 PolarHBondContact O-N 2.99Å; K373-V375 PolarHBondContact O-N 3.33Å
376T93.9Very high95.1Very high34 Ų3456.5 Ų56.521%0.20927%0.272CS..Hα-helixtrans-75.5-32.9178-660000113.6L319 L372 K373 M378L319-T376 HydrophobicContact CD1-CG2 3.77Å; L372-T376 VanDerWaalsContact O-CB 3.29Å; L372-T376 WeakPolarHBondContact O-CB 3.45Å; L372-T376 PolarHBondContact O-N 3.36Å; L372-T376 PolarHBondContact O-OG1 3.35Å; K373-T376 PolarHBondContact O-N 2.89Å; T376-M378 VanDerWaalsContact C-N 3.27Å; T376-M378 PolarHBondContact O-N 2.83Å
377D87.7Confident94.8Very high103 Ų10358.2 Ų58.255%0.55128%0.277SS*.  trans-80.1-6-177-72.8-12.1000114.3K373K373-D377 VanDerWaalsContact CD-OD2 3.31Å; K373-D377 WeakPolarHBondContact CD-OD2 3.28Å; K373-D377 WeakPolarHBondContact CE-OD2 3.49Å; K373-D377 IonicContact NZ-OD1 3.22Å; K373-D377 PolarHBondContact NZ-OD1 3.47Å; K373-D377 IonicContact NZ-OD2 2.81Å; K373-D377 PolarHBondContact NZ-OD2 3.22Å; K373-D377 WeakPolarHBondContact O-CB 3.43Å; K373-D377 PolarHBondContact O-N 3.31Å
378M75.5Confident94.5Very high155 Ų15556.5 Ų56.576%0.76428%0.275SS*.  trans-106.10177.1-74.5-170.3-89.100110.7R330 A374 T376R330-M378 PolarHBondContact NH1-OXT 3.19Å; R330-M378 VanDerWaalsContact NH2-CB 3.32Å; R330-M378 PolarHBondContact NH2-SD 3.24Å; A374-M378 WeakPolarHBondContact O-CE 3.49Å; T376-M378 VanDerWaalsContact C-N 3.27Å; T376-M378 PolarHBondContact O-N 2.83Å

Retrieved 378 of 378 residues in 822.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).