A0A096M2R1_POEFO Loading...

Meiotic double-stranded break formation protein 4

AlphaFold DB , UniProt , Accession A0A096M2R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 384 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low35Very low224 Ų224151.5 Ų151.5100%1.10383%0.832SS**  086.60-72.4-178.7177.900105.7
2E31Very low35Very low174 Ų174144.8 Ų144.881%0.81382%0.823SS**  78127.791.6-74.4178.2-174.800109.7
3T33.8Very low35.4Very low130 Ų130148.7 Ų148.780%0.79882%0.816SS**  cis-167140.3-2.317.70000105.7
4E33Very low36Very low185 Ų185145.5 Ų145.586%0.86480%0.803SS**  trans-75.3149.9174.4-64.7-145.9137.300112.2N6E4-N6 PolarHBondContact O-N 3.3Å
5P39.1Very low37Very low122 Ų122140.7 Ų140.779%0.79278%0.781SS**  trans-76112.3172.129.9-30.8000110.7Q7P5-Q7 PolarHBondContact O-N 3.01Å
6N31.9Very low37.5Very low148 Ų148139.6 Ų139.679%0.79176%0.762SS**  trans-57.8119.8176.1-113.9-19.3000112.1E4 L8E4-N6 PolarHBondContact O-N 3.3Å; N6-L8 PolarHBondContact O-N 3.49Å
7Q35.2Very low37.9Very low190 Ų190141.5 Ų141.589%0.88876%0.755SS**  trans-71.899.9163.8-64.7-178.226.200109.5P5P5-Q7 PolarHBondContact O-N 3.01Å
8L35.3Very low38.5Very low158 Ų158139.3 Ų139.383%0.82774%0.743SS**  trans-10471.3164.8-79.6165.7000109.2N6N6-L8 PolarHBondContact O-N 3.49Å
9N38.6Very low39.1Very low170 Ų170137.9 Ų137.991%0.90973%0.733SS**  trans-132.1103.1169.3-103.7-17.1000109
10G36Very low39.5Very low61 Ų61136 Ų13663%0.62972%0.718SS**SBendtrans170.2-19.5173.200000117.1
11S38.1Very low40.1Very low105 Ų105131.9 Ų131.973%0.73470%0.704SS**SBendtrans-85.9-22.5-168.6-164.20000115.2P15S11-P15 WeakPolarHBondContact O-CD 3.26Å; S11-P15 VanDerWaalsContact O-CG 3.23Å; S11-P15 WeakPolarHBondContact O-CG 3.47Å
12G35Very low41.3Very low70 Ų70126.4 Ų126.472%0.72268%0.675SS**SBendtrans-83-17.9-173.200000116.9
13R41.1Very low42.6Very low196 Ų196121.2 Ų121.274%0.7466%0.655SS**Hα-helixtrans-88.9-28.8-174.6-83.9-174.5-176.6-133.9-1114.4
14V42.7Very low43.8Very low104 Ų104117.7 Ų117.763%0.6364%0.639SS**Hα-helixtrans-76.1-42.1-177.6-175.40000112.3W16 R17 L18V14-W16 VanDerWaalsContact C-N 3.29Å; V14-W16 PolarHBondContact O-N 3.49Å; V14-R17 PolarHBondContact O-N 2.89Å; V14-L18 PolarHBondContact O-N 3.37Å
15P51.8Low45.2Very low74 Ų74113.2 Ų113.248%0.48163%0.625SS.*Hα-helixtrans-61.6-37.1177.2-23.334000112.7S11 L18 M19S11-P15 WeakPolarHBondContact O-CD 3.26Å; S11-P15 VanDerWaalsContact O-CG 3.23Å; S11-P15 WeakPolarHBondContact O-CG 3.47Å; P15-L18 PolarHBondContact O-N 3.3Å; P15-M19 WeakPolarHBondContact O-CB 3.32Å; P15-M19 PolarHBondContact O-N 3.26Å
16W44.9Very low46.4Very low123 Ų123110 Ų11047%0.46661%0.608SS.*Hα-helixtrans-68.1-36.4-178.2171.7-124.3000114V14 K20V14-W16 VanDerWaalsContact C-N 3.29Å; V14-W16 PolarHBondContact O-N 3.49Å; W16-K20 HydrophobicContact CD2-CD 4.35Å; W16-K20 HydrophobicContact CH2-CD 4.32Å; W16-K20 HydrophobicContact CH2-CG 4.5Å; W16-K20 HydrophobicContact CZ2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CG 4.42Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 VanDerWaalsContact O-CE 3.3Å; W16-K20 WeakPolarHBondContact O-CE 3.4Å; W16-K20 WeakPolarHBondContact O-CG 3.48Å; W16-K20 PolarHBondContact O-N 3.38Å
17R44.5Very low47.5Very low171 Ų171106.7 Ų106.765%0.64559%0.589SS**Hα-helixtrans-74-37.8176.9-68.5-176.7-177.4-156-0111.1V14 K20 A21V14-R17 PolarHBondContact O-N 2.89Å; R17-K20 PolarHBondContact O-N 2.98Å; R17-A21 PolarHBondContact O-N 3.26Å
18L49.1Very low48.8Very low102 Ų102100.4 Ų100.453%0.53457%0.57SS.*Hα-helixtrans-65-46.1175.9-17365.2000111.4V14 P15 K20 A21 Q22V14-L18 PolarHBondContact O-N 3.37Å; P15-L18 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.01Å; L18-A21 PolarHBondContact O-N 3.33Å; L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.12Å
19M49.8Very low50.3Low114 Ų11495.1 Ų95.156%0.56254%0.544SS*.Hα-helixtrans-59.8-41.8176.4-165.175.397.800111.5P15 Q22 V23P15-M19 WeakPolarHBondContact O-CB 3.32Å; P15-M19 PolarHBondContact O-N 3.26Å; M19-Q22 PolarHBondContact O-N 2.81Å; M19-V23 WeakPolarHBondContact O-CG2 3.34Å; M19-V23 PolarHBondContact O-N 3.42Å
20K46.3Very low51.5Low98 Ų9892 Ų9243%0.42653%0.531SS..Hα-helixtrans-63.3-41.5175.2-81.6-173.2-74-177.70113.3W16 R17 L18 A24W16-K20 HydrophobicContact CD2-CD 4.35Å; W16-K20 HydrophobicContact CH2-CD 4.32Å; W16-K20 HydrophobicContact CH2-CG 4.5Å; W16-K20 HydrophobicContact CZ2-CD 3.81Å; W16-K20 HydrophobicContact CZ2-CG 4.42Å; W16-K20 WeakPolarHBondContact O-CB 3.49Å; W16-K20 VanDerWaalsContact O-CE 3.3Å; W16-K20 WeakPolarHBondContact O-CE 3.4Å; W16-K20 WeakPolarHBondContact O-CG 3.48Å; W16-K20 PolarHBondContact O-N 3.38Å; R17-K20 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 3.01Å; K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.11Å; K20-A24 VanDerWaalsContact O-N 3.1Å
21A52.9Low52.5Low51 Ų5197.2 Ų97.242%0.42153%0.531SS..Hα-helixtrans-66.9-42.117600000111.4R17 L18 V23 A24 V25R17-A21 PolarHBondContact O-N 3.26Å; L18-A21 PolarHBondContact O-N 3.33Å; A21-V23 PolarHBondContact O-N 2.8Å; A21-A24 PolarHBondContact O-N 3.43Å; A21-V25 WeakPolarHBondContact O-CB 3.33Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 2.95Å
22Q57.2Low53.8Low108 Ų10895 Ų9551%0.50552%0.516SS..Hα-helixtrans-60.5-43.8178-75.5173-17.300112.2L18 M19 V25 A26L18-Q22 WeakPolarHBondContact O-CB 3.43Å; L18-Q22 VanDerWaalsContact O-CG 3.28Å; L18-Q22 WeakPolarHBondContact O-CG 3.38Å; L18-Q22 PolarHBondContact O-N 3.12Å; M19-Q22 PolarHBondContact O-N 2.81Å; Q22-V25 PolarHBondContact O-N 3.22Å; Q22-A26 WeakPolarHBondContact O-CB 3.23Å; Q22-A26 PolarHBondContact O-N 2.84Å
23V57.5Low55.5Low66 Ų6698 Ų9840%0.451%0.506SS..Hα-helixtrans-68.2-42177.6174.20000111.5M19 A21 V25 A26 M27M19-V23 WeakPolarHBondContact O-CG2 3.34Å; M19-V23 PolarHBondContact O-N 3.42Å; A21-V23 PolarHBondContact O-N 2.8Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.94Å; V23-A26 PolarHBondContact O-N 3.12Å; V23-M27 WeakPolarHBondContact O-CB 3.44Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 2.91Å
24A60.3Low56.8Low56 Ų5691.3 Ų91.346%0.46349%0.488SS..Hα-helixtrans-62.6-40.4176.600000112.2K20 A21 M27 A28K20-A24 WeakPolarHBondContact O-CB 3.43Å; K20-A24 PolarHBondContact O-N 3.11Å; K20-A24 VanDerWaalsContact O-N 3.1Å; A21-A24 PolarHBondContact O-N 3.43Å; A24-M27 PolarHBondContact O-N 3.06Å; A24-A28 PolarHBondContact O-N 3.47Å
25V62Low57.6Low91 Ų9192.9 Ų92.955%0.55250%0.5SS*.Hα-helixtrans-65.8-46.6175.5170.40000110.7A21 Q22 V23 M27 A28 V29A21-V25 WeakPolarHBondContact O-CB 3.33Å; A21-V25 WeakPolarHBondContact O-CG2 3.46Å; A21-V25 PolarHBondContact O-N 2.95Å; Q22-V25 PolarHBondContact O-N 3.22Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.94Å; V25-M27 VanDerWaalsContact C-N 3.26Å; V25-M27 PolarHBondContact O-N 3.49Å; V25-A28 PolarHBondContact O-N 2.83Å; V25-A28 VanDerWaalsContact O-N 3.17Å; V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.89Å
26A65.3Low58.5Low54 Ų5493.5 Ų93.545%0.44652%0.52SS..Hα-helixtrans-56.8-41.7176.200000111.7Q22 V23 V29 V30Q22-A26 WeakPolarHBondContact O-CB 3.23Å; Q22-A26 PolarHBondContact O-N 2.84Å; V23-A26 PolarHBondContact O-N 3.12Å; A26-V29 PolarHBondContact O-N 3.49Å; A26-V30 WeakPolarHBondContact O-CG2 3.47Å; A26-V30 PolarHBondContact O-N 3.23Å
27M54.6Low59.8Low78 Ų7890 Ų9038%0.38451%0.512SS..Hα-helixtrans-66.6-39.9177-73-62.9-65.600113.3V23 A24 V25 V29 V30 R31 F127V23-M27 WeakPolarHBondContact O-CB 3.44Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.44Å; V23-M27 PolarHBondContact O-N 2.91Å; A24-M27 PolarHBondContact O-N 3.06Å; V25-M27 VanDerWaalsContact C-N 3.26Å; V25-M27 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.33Å; M27-V30 PolarHBondContact O-N 3.02Å; M27-R31 WeakPolarHBondContact O-CB 3.43Å; M27-R31 PolarHBondContact O-N 3.44Å; M27-F127 HydrophobicContact CE-CD1 4.35Å; M27-F127 HydrophobicContact CE-CE1 3.71Å; M27-F127 HydrophobicContact CE-CZ 4.43Å
28A63Low61.2Low59 Ų5984 Ų8449%0.48850%0.496SS..Hα-helixtrans-66.1-36.2175.100000111.9A24 V25 R31 S32A24-A28 PolarHBondContact O-N 3.47Å; V25-A28 PolarHBondContact O-N 2.83Å; V25-A28 VanDerWaalsContact O-N 3.17Å; A28-R31 PolarHBondContact O-N 3.37Å; A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.29Å; A28-S32 PolarHBondContact O-OG 3.05Å
29V65.1Low62Low46 Ų4682.8 Ų82.828%0.27950%0.497SS..Hα-helixtrans-66.6-41.8175.3173.50000111.3V25 A26 M27 S32 H42 L46V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 VanDerWaalsContact O-CG2 3.27Å; V25-V29 WeakPolarHBondContact O-CG2 3.3Å; V25-V29 PolarHBondContact O-N 2.89Å; A26-V29 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.33Å; V29-S32 WeakPolarHBondContact CA-OG 3.33Å; V29-S32 PolarHBondContact O-OG 2.78Å; V29-H42 PolarHBondContact O-CD2 3.46Å; V29-H42 PolarHBondContact O-NE2 2.98Å; V29-L46 HydrophobicContact CG1-CD1 4.17Å; V29-L46 HydrophobicContact CG2-CD1 4.16Å
30V65.2Low63.2Low106 Ų10685.7 Ų85.764%0.64250%0.501SS*.Hα-helixtrans-66.1-41176.6172.10000111.5A26 M27 R33A26-V30 WeakPolarHBondContact O-CG2 3.47Å; A26-V30 PolarHBondContact O-N 3.23Å; M27-V30 PolarHBondContact O-N 3.02Å; V30-R33 WeakPolarHBondContact O-CB 3.24Å
31R57.1Low64.6Low169 Ų16986.6 Ų86.664%0.63851%0.507SS*.Hα-helixtrans-73.2-30.4179.2-95.8-166.1151.295.22.5114.7M27 A28 R33M27-R31 WeakPolarHBondContact O-CB 3.43Å; M27-R31 PolarHBondContact O-N 3.44Å; A28-R31 PolarHBondContact O-N 3.37Å; R31-R33 PolarHBondContact O-N 2.95Å
32S63.9Low65.7Low60 Ų6085.4 Ų85.442%0.4249%0.492SS..THydrogen-bonded Turntrans-80.11.5-179.653.90000113.5A28 V29 P34 H42A28-S32 VanDerWaalsContact O-CB 3.27Å; A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.29Å; A28-S32 PolarHBondContact O-OG 3.05Å; V29-S32 WeakPolarHBondContact CA-OG 3.33Å; V29-S32 PolarHBondContact O-OG 2.78Å; S32-P34 WeakPolarHBondContact O-CD 3.43Å; S32-H42 PolarHBondContact O-CE1 3.36Å; S32-H42 PolarHBondContact O-NE2 3.07Å; S32-H42 PolarHBondContact OG-NE2 3.41Å
33R71Confident66.6Low132 Ų13283 Ų8350%0.49849%0.487SS..  trans-65.5115.3-179.1-176.2-177.8179.1-168.6-3.2110.5V30 R31 V37V30-R33 WeakPolarHBondContact O-CB 3.24Å; R31-R33 PolarHBondContact O-N 2.95Å; R33-V37 PolarHBondContact NE-O 2.98Å; R33-V37 PolarHBondContact NH2-O 2.87Å
34P67.9Low67.8Low56 Ų5684.4 Ų84.436%0.36449%0.49SS..  trans-72.2146.5175.727.7-31.2000111.2S32 G36 V37S32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-G36 PolarHBondContact O-N 2.87Å; P34-V37 HydrophobicContact CG-CB 4.07Å; P34-V37 HydrophobicContact CG-CG2 3.75Å; P34-V37 PolarHBondContact O-N 3.38Å
35P59.8Low68.8Low136 Ų13684.4 Ų84.488%0.88349%0.49SS*.THydrogen-bonded Turntrans-62.6127.1179.125.3-32.2000110.2
36G71.6Confident69.6Low88 Ų8883 Ų8391%0.90748%0.479SS*.THydrogen-bonded Turntrans100.6-8.3179.200000116P34P34-G36 PolarHBondContact O-N 2.87Å
37V71.9Confident70.2Confident48 Ų4881.5 Ų81.529%0.29147%0.468SS..SBendtrans-100.1139.1177.4-173.80000110.8R33 P34 Q41 H42R33-V37 PolarHBondContact NE-O 2.98Å; R33-V37 PolarHBondContact NH2-O 2.87Å; P34-V37 HydrophobicContact CG-CB 4.07Å; P34-V37 HydrophobicContact CG-CG2 3.75Å; P34-V37 PolarHBondContact O-N 3.38Å; V37-Q41 HydrophobicContact CG1-CB 3.93Å; V37-H42 HydrophobicContact CG1-CB 4.43Å
38S74.1Confident71.4Confident45 Ų4580.7 Ų80.732%0.31547%0.47SS..  trans-67.1143.5174.374.10000110.6R40 Q41 H42S38-R40 PolarHBondContact O-N 3.38Å; S38-R40 VanDerWaalsContact O-N 3.15Å; S38-Q41 PolarHBondContact O-N 2.83Å; S38-Q41 VanDerWaalsContact O-N 3.16Å; S38-Q41 WeakPolarHBondContact OG-CB 3.46Å; S38-Q41 VanDerWaalsContact OG-CG 3.24Å; S38-Q41 WeakPolarHBondContact OG-CG 3.32Å; S38-Q41 PolarHBondContact OG-N 3.21Å; S38-Q41 PolarHBondContact OG-OE1 3.03Å; S38-H42 PolarHBondContact O-N 2.93Å
39S66.6Low72.4Confident78 Ų7881.2 Ų81.255%0.54547%0.467SS..Hα-helixtrans-55.2-33.6179.4490000112.6S43S39-S43 PolarHBondContact O-N 3.49Å; S39-S43 VanDerWaalsContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.5Å
40R73.3Confident73Confident175 Ų17583.7 Ų83.766%0.6648%0.478SS*.Hα-helixtrans-67.9-45.7177.7-176.9175.5177.1175.22.1113.1S38 H42 S43 E44S38-R40 PolarHBondContact O-N 3.38Å; S38-R40 VanDerWaalsContact O-N 3.15Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 3.47Å; R40-S43 PolarHBondContact O-N 2.89Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; R40-E44 WeakPolarHBondContact CG-OE1 3.43Å; R40-E44 IonicContact CZ-OE1 2.78Å; R40-E44 IonicContact NE-OE1 3.48Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.76Å; R40-E44 WeakPolarHBondContact O-CB 3.42Å; R40-E44 VanDerWaalsContact O-CG 3.29Å; R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 2.98Å
41Q76.2Confident73.7Confident117 Ų11786.6 Ų86.655%0.54748%0.478SS..Hα-helixtrans-66.4-35.9178.8-74163.4-27.100111.9V37 S38 A45V37-Q41 HydrophobicContact CG1-CB 3.93Å; S38-Q41 PolarHBondContact O-N 2.83Å; S38-Q41 VanDerWaalsContact O-N 3.16Å; S38-Q41 WeakPolarHBondContact OG-CB 3.46Å; S38-Q41 VanDerWaalsContact OG-CG 3.24Å; S38-Q41 WeakPolarHBondContact OG-CG 3.32Å; S38-Q41 PolarHBondContact OG-N 3.21Å; S38-Q41 PolarHBondContact OG-OE1 3.03Å; Q41-A45 WeakPolarHBondContact O-CB 3.27Å; Q41-A45 PolarHBondContact O-N 3.41Å
42H77.3Confident74.8Confident25 Ų2588.1 Ų88.112%0.11648%0.483CS..Hα-helixtrans-66.6-45.3176.4-175.264000112.4V29 S32 V37 S38 R40 A45 L46V29-H42 PolarHBondContact O-CD2 3.46Å; V29-H42 PolarHBondContact O-NE2 2.98Å; S32-H42 PolarHBondContact O-CE1 3.36Å; S32-H42 PolarHBondContact O-NE2 3.07Å; S32-H42 PolarHBondContact OG-NE2 3.41Å; V37-H42 HydrophobicContact CG1-CB 4.43Å; S38-H42 PolarHBondContact O-N 2.93Å; R40-H42 VanDerWaalsContact C-N 3.31Å; R40-H42 PolarHBondContact O-N 3.47Å; H42-A45 PolarHBondContact O-N 3.23Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.3Å; H42-L46 WeakPolarHBondContact O-CG 3.36Å; H42-L46 PolarHBondContact O-N 3.12Å; H42-L46 VanDerWaalsContact O-N 3.1Å
43S75.3Confident75.4Confident57 Ų5790.1 Ų90.140%0.39949%0.486SS..Hα-helixtrans-69.3-36.2178.163.30000112.8S39 R40 G47S39-S43 PolarHBondContact O-N 3.49Å; S39-S43 VanDerWaalsContact O-N 3.13Å; S39-S43 PolarHBondContact O-OG 3.5Å; R40-S43 PolarHBondContact O-N 2.89Å; R40-S43 PolarHBondContact O-OG 3.45Å; R40-S43 VanDerWaalsContact O-OG 3.06Å; S43-G47 PolarHBondContact O-N 2.99Å
44E82.1Confident75.8Confident96 Ų9688.2 Ų88.245%0.44949%0.486SS..Hα-helixtrans-65.6-42.6174.8-75.6171.9-174.100111.8R40 G47 C48R40-E44 WeakPolarHBondContact CG-OE1 3.43Å; R40-E44 IonicContact CZ-OE1 2.78Å; R40-E44 IonicContact NE-OE1 3.48Å; R40-E44 PolarHBondContact NE-OE1 3.27Å; R40-E44 IonicContact NH2-OE1 3.76Å; R40-E44 WeakPolarHBondContact O-CB 3.42Å; R40-E44 VanDerWaalsContact O-CG 3.29Å; R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 2.98Å; E44-G47 PolarHBondContact O-N 3.42Å; E44-C48 PolarHBondContact O-N 3.44Å; E44-C48 PolarHBondContact O-SG 3.42Å; E44-C48 VanDerWaalsContact O-SG 3.39Å
45A82.4Confident76.5Confident56 Ų5686.9 Ų86.946%0.46348%0.482SS..Hα-helixtrans-64.3-42.3176.600000112.7Q41 H42 C48 T49Q41-A45 WeakPolarHBondContact O-CB 3.27Å; Q41-A45 PolarHBondContact O-N 3.41Å; H42-A45 PolarHBondContact O-N 3.23Å; A45-C48 PolarHBondContact O-N 3Å; A45-T49 PolarHBondContact O-N 3.19Å; A45-T49 VanDerWaalsContact O-N 3.1Å; A45-T49 PolarHBondContact O-OG1 3.34Å
46L77.6Confident77.7Confident63 Ų6382 Ų8233%0.3345%0.454SS..Hα-helixtrans-63.5-43.8173.7-76.2168.5000111.6V29 H42 C48 T49 L50V29-L46 HydrophobicContact CG1-CD1 4.17Å; V29-L46 HydrophobicContact CG2-CD1 4.16Å; H42-L46 WeakPolarHBondContact NE2-CD1 3.3Å; H42-L46 WeakPolarHBondContact O-CG 3.36Å; H42-L46 PolarHBondContact O-N 3.12Å; H42-L46 VanDerWaalsContact O-N 3.1Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.98Å; L46-T49 PolarHBondContact O-N 3.02Å; L46-T49 VanDerWaalsContact O-N 3.17Å; L46-L50 PolarHBondContact O-N 2.96Å
47G79.3Confident77.7Confident21 Ų2185.5 Ų85.522%0.21644%0.439CS..Hα-helixtrans-61.1-38.6176.600000113.2S43 E44 R51S43-G47 PolarHBondContact O-N 2.99Å; E44-G47 PolarHBondContact O-N 3.42Å; G47-R51 PolarHBondContact O-N 2.99Å; G47-R51 VanDerWaalsContact O-N 3.16Å
48C80Confident78.2Confident61 Ų6191.3 Ų91.341%0.41246%0.456SS..Hα-helixtrans-67.6-36174.5-74.30000113E44 A45 L46 R52E44-C48 PolarHBondContact O-N 3.44Å; E44-C48 PolarHBondContact O-SG 3.42Å; E44-C48 VanDerWaalsContact O-SG 3.39Å; A45-C48 PolarHBondContact O-N 3Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.98Å; C48-R52 WeakPolarHBondContact O-CG 3.31Å; C48-R52 PolarHBondContact O-N 3.21Å
49T82.1Confident79Confident70 Ų7095.7 Ų95.743%0.42947%0.472SS..Hα-helixtrans-70.7-42.4178.8-52.20000111.5A45 L46 R52 Q53A45-T49 PolarHBondContact O-N 3.19Å; A45-T49 VanDerWaalsContact O-N 3.1Å; A45-T49 PolarHBondContact O-OG1 3.34Å; L46-T49 PolarHBondContact O-N 3.02Å; L46-T49 VanDerWaalsContact O-N 3.17Å; T49-R52 PolarHBondContact O-N 3.34Å; T49-Q53 PolarHBondContact O-N 2.92Å; T49-Q53 VanDerWaalsContact O-N 3.14Å
50L78.4Confident79.9Confident99 Ų9998.8 Ų98.852%0.51847%0.471SS..Hα-helixtrans-62.7-45.5176.4-74172.2000112L46 R52 Q53 D54L46-L50 PolarHBondContact O-N 2.96Å; L50-R52 PolarHBondContact O-N 3Å; L50-Q53 PolarHBondContact O-N 3.48Å; L50-D54 WeakPolarHBondContact O-CB 3.46Å; L50-D54 PolarHBondContact O-N 3.43Å
51R79.2Confident80.5Confident167 Ų16793.1 Ų93.163%0.6346%0.462SS*.Hα-helixtrans-57.4-36.4176.5-81.2-172.2-78.1-102.80.7113.1G47 G55G47-R51 PolarHBondContact O-N 2.99Å; G47-R51 VanDerWaalsContact O-N 3.16Å; R51-G55 PolarHBondContact O-N 3.23Å; R51-G55 VanDerWaalsContact O-N 3.16Å
52R80.5Confident81.1Confident200 Ų20092.5 Ų92.576%0.75546%0.459SS*.Hα-helixtrans-68.3-41175.8-71.7176.5-179.7178.80.4112C48 T49 L50 A56C48-R52 WeakPolarHBondContact O-CG 3.31Å; C48-R52 PolarHBondContact O-N 3.21Å; T49-R52 PolarHBondContact O-N 3.34Å; L50-R52 PolarHBondContact O-N 3Å; R52-A56 PolarHBondContact O-N 3.16Å
53Q77.4Confident81.7Confident102 Ų10293.5 Ų93.548%0.47747%0.471SS..Hα-helixtrans-70.3-40.6178.1-68.1-178.58.100112T49 L50 G55 A56 W57T49-Q53 PolarHBondContact O-N 2.92Å; T49-Q53 VanDerWaalsContact O-N 3.14Å; L50-Q53 PolarHBondContact O-N 3.48Å; Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.42Å; Q53-A56 PolarHBondContact O-N 3.19Å; Q53-W57 PolarHBondContact O-N 3.05Å
54D79.6Confident82.4Confident93 Ų9395.7 Ų95.750%0.49748%0.478SS..Hα-helixtrans-60.7-40.4175.8-77.6-11.8000112L50 W57 R58L50-D54 WeakPolarHBondContact O-CB 3.46Å; L50-D54 PolarHBondContact O-N 3.43Å; D54-W57 PolarHBondContact O-N 3.14Å; D54-R58 VanDerWaalsContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CB 3.36Å; D54-R58 PolarHBondContact O-N 3.25Å
55G82.6Confident82.7Confident28 Ų2897.4 Ų97.429%0.28949%0.486SS..Hα-helixtrans-58.4-49.8172.300000111.9R51 Q53 W57 R58 E59R51-G55 PolarHBondContact O-N 3.23Å; R51-G55 VanDerWaalsContact O-N 3.16Å; Q53-G55 VanDerWaalsContact C-N 3.31Å; Q53-G55 PolarHBondContact O-N 3.42Å; G55-W57 PolarHBondContact O-N 3.3Å; G55-R58 PolarHBondContact O-N 3.09Å; G55-E59 WeakPolarHBondContact O-CG 3.47Å; G55-E59 PolarHBondContact O-N 3.19Å
56A84.5Confident83.1Confident34 Ų34101.3 Ų101.328%0.28150%0.495SS..Hα-helixtrans-64-37.2179.700000113.5R52 Q53 R60R52-A56 PolarHBondContact O-N 3.16Å; Q53-A56 PolarHBondContact O-N 3.19Å; A56-R60 WeakPolarHBondContact O-CG 3.49Å; A56-R60 PolarHBondContact O-N 2.82Å
57W72.2Confident83.8Confident160 Ų160103.4 Ų103.461%0.60650%0.503SS*.Hα-helixtrans-69.1-37.5174.6-75.1116.6000112.3Q53 D54 G55 R60 A61Q53-W57 PolarHBondContact O-N 3.05Å; D54-W57 PolarHBondContact O-N 3.14Å; G55-W57 PolarHBondContact O-N 3.3Å; W57-R60 PolarHBondContact O-N 3.16Å; W57-A61 WeakPolarHBondContact O-CB 3.38Å; W57-A61 PolarHBondContact O-N 3.22Å
58R82.5Confident84.5Confident171 Ų171106 Ų10665%0.64551%0.514SS*.Hα-helixtrans-65.6-42.9177.3-169.5178.2-66.2177.9-0.9111.7D54 G55 A61 Q62D54-R58 VanDerWaalsContact O-CB 3.31Å; D54-R58 WeakPolarHBondContact O-CB 3.36Å; D54-R58 PolarHBondContact O-N 3.25Å; G55-R58 PolarHBondContact O-N 3.09Å; R58-A61 PolarHBondContact O-N 2.98Å; R58-Q62 WeakPolarHBondContact O-CG 3.38Å; R58-Q62 PolarHBondContact O-N 3.28Å
59E89.4Confident84.9Confident137 Ų137107.3 Ų107.364%0.6452%0.517SS*.Hα-helixtrans-61.3-43.6175-73.2170.6-169.700111.8G55 Q62 A63G55-E59 WeakPolarHBondContact O-CG 3.47Å; G55-E59 PolarHBondContact O-N 3.19Å; E59-Q62 PolarHBondContact O-N 3.35Å; E59-A63 PolarHBondContact O-N 2.88Å
60R85.9Confident85.4Confident142 Ų142110.7 Ų110.754%0.53652%0.522SS..Hα-helixtrans-64.8-40.1176.1-72.6177.6-173140.33113.1A56 W57 Q62 A63 L64A56-R60 WeakPolarHBondContact O-CG 3.49Å; A56-R60 PolarHBondContact O-N 2.82Å; W57-R60 PolarHBondContact O-N 3.16Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; R60-A63 PolarHBondContact O-N 3.1Å; R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.17Å
61A85.2Confident86Confident56 Ų56110.3 Ų110.346%0.46352%0.52SS..Hα-helixtrans-64.1-39.7177.200000111.4W57 R58 Q65W57-A61 WeakPolarHBondContact O-CB 3.38Å; W57-A61 PolarHBondContact O-N 3.22Å; R58-A61 PolarHBondContact O-N 2.98Å; A61-Q65 WeakPolarHBondContact O-CB 3.36Å; A61-Q65 PolarHBondContact O-N 3.39Å
62Q89Confident86.3Confident105 Ų105107.5 Ų107.549%0.49151%0.514SS..Hα-helixtrans-64.6-47.6175.1-73.9174.9-22.600111.8R58 E59 R60 L64 Q65 E66R58-Q62 WeakPolarHBondContact O-CG 3.38Å; R58-Q62 PolarHBondContact O-N 3.28Å; E59-Q62 PolarHBondContact O-N 3.35Å; R60-Q62 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.41Å; Q62-Q65 WeakPolarHBondContact O-CB 3.31Å; Q62-Q65 PolarHBondContact O-N 2.87Å; Q62-Q65 VanDerWaalsContact O-N 3.12Å; Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.94Å
63A90.3Very high86.7Confident45 Ų45104.1 Ų104.137%0.37251%0.507SS..Hα-helixtrans-59.3-44.6177.200000112.4E59 R60 Q65 E66 E67E59-A63 PolarHBondContact O-N 2.88Å; R60-A63 PolarHBondContact O-N 3.1Å; A63-Q65 VanDerWaalsContact C-N 3.3Å; A63-Q65 PolarHBondContact O-N 3.14Å; A63-E66 PolarHBondContact O-N 3.05Å; A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.4Å
64L90.4Very high87.3Confident104 Ų104103.6 Ų103.655%0.54550%0.504SS..Hα-helixtrans-64-35.9175.9-75.4170.3000112.3R60 Q62 E67 V68R60-L64 WeakPolarHBondContact O-CB 3.46Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 3.17Å; Q62-L64 PolarHBondContact O-N 3.41Å; L64-E67 PolarHBondContact O-N 2.8Å; L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.4Å
65Q87.7Confident87.7Confident131 Ų131104.8 Ų104.861%0.61251%0.51SS*.Hα-helixtrans-66.8-39.6176.8-172.3165.6-1.800111.5A61 Q62 A63 V68 L69A61-Q65 WeakPolarHBondContact O-CB 3.36Å; A61-Q65 PolarHBondContact O-N 3.39Å; Q62-Q65 WeakPolarHBondContact O-CB 3.31Å; Q62-Q65 PolarHBondContact O-N 2.87Å; Q62-Q65 VanDerWaalsContact O-N 3.12Å; A63-Q65 VanDerWaalsContact C-N 3.3Å; A63-Q65 PolarHBondContact O-N 3.14Å; Q65-V68 PolarHBondContact O-N 2.97Å; Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.36Å; Q65-L69 PolarHBondContact O-N 3.33Å
66E92.3Very high87.9Confident139 Ų139109.1 Ų109.165%0.6553%0.526SS*.Hα-helixtrans-63-42.3172.8-69.8174.3-174.900111.6Q62 A63 L69 R70Q62-E66 WeakPolarHBondContact O-CG 3.42Å; Q62-E66 PolarHBondContact O-N 2.94Å; A63-E66 PolarHBondContact O-N 3.05Å; E66-L69 PolarHBondContact O-N 2.92Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 PolarHBondContact O-N 3.17Å
67E91.9Very high87.9Confident107 Ų107112 Ų11250%0.554%0.539SS..Hα-helixtrans-65.5-40.8176-72.8-177171.300113A63 L64 L69 R70 L71A63-E67 WeakPolarHBondContact O-CG 3.27Å; A63-E67 PolarHBondContact O-N 3.4Å; L64-E67 PolarHBondContact O-N 2.8Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.1Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.49Å; E67-L71 WeakPolarHBondContact O-CB 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.3Å
68V92.6Very high88.3Confident74 Ų74106.5 Ų106.545%0.44853%0.526SS..Hα-helixtrans-62.6-43.8175.9168.20000110.7L64 Q65 R70 L71 Q72L64-V68 VanDerWaalsContact O-CG2 3.3Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.4Å; Q65-V68 PolarHBondContact O-N 2.97Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 3.04Å; V68-L71 PolarHBondContact O-N 2.75Å; V68-Q72 HydrophobicContact CG1-CG 4.37Å; V68-Q72 WeakPolarHBondContact O-CB 3.49Å; V68-Q72 VanDerWaalsContact O-CG 3.27Å; V68-Q72 WeakPolarHBondContact O-CG 3.27Å; V68-Q72 PolarHBondContact O-N 3.45Å
69L89Confident88.2Confident90 Ų90106.6 Ų106.647%0.47153%0.526SS..Hα-helixtrans-63.4-39.2176.3-70.3173.4000111.3Q65 E66 E67 Q73Q65-L69 VanDerWaalsContact O-CG 3.31Å; Q65-L69 WeakPolarHBondContact O-CG 3.36Å; Q65-L69 PolarHBondContact O-N 3.33Å; E66-L69 PolarHBondContact O-N 2.92Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.1Å; L69-Q73 VanDerWaalsContact O-CG 3.32Å; L69-Q73 WeakPolarHBondContact O-CG 3.21Å; L69-Q73 PolarHBondContact O-N 2.92Å
70R93.4Very high87.5Confident141 Ų141102.9 Ų102.953%0.53252%0.518SS..Hα-helixtrans-62.9-48.3175.1-159.6-168.299.9-173.23.6111.9E66 E67 V68 Q72 Q73 E74E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 PolarHBondContact O-N 3.17Å; E67-R70 WeakPolarHBondContact O-CB 3.5Å; E67-R70 PolarHBondContact O-N 3.49Å; V68-R70 VanDerWaalsContact C-N 3.3Å; V68-R70 PolarHBondContact O-N 3.04Å; R70-Q72 PolarHBondContact O-N 3.47Å; R70-Q73 WeakPolarHBondContact O-CB 3.48Å; R70-Q73 PolarHBondContact O-N 3.42Å; R70-E74 IonicContact CZ-OE1 3.1Å; R70-E74 IonicContact NE-OE1 2.76Å; R70-E74 PolarHBondContact NE-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.4Å; R70-E74 PolarHBondContact NH2-OE1 3.3Å; R70-E74 IonicContact NH2-OE2 3.69Å; R70-E74 WeakPolarHBondContact O-CG 3.32Å; R70-E74 PolarHBondContact O-N 2.95Å
71L91.5Very high86.9Confident91 Ų9199.2 Ų99.248%0.47651%0.512SS..Hα-helixtrans-66.8-35.9179.6-72.3171.5000112.4E67 V68 Q73 E74 L75E67-L71 WeakPolarHBondContact O-CB 3.22Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.3Å; V68-L71 PolarHBondContact O-N 2.75Å; L71-Q73 VanDerWaalsContact C-N 3.35Å; L71-E74 PolarHBondContact O-N 3.34Å; L71-L75 WeakPolarHBondContact O-CB 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.35Å
72Q84.9Confident85.9Confident107 Ų107101.1 Ų101.150%0.551%0.514SS..Hα-helixtrans-64.1-41.2172.4-77.1179-5.600111.5V68 R70 L75 L76V68-Q72 HydrophobicContact CG1-CG 4.37Å; V68-Q72 WeakPolarHBondContact O-CB 3.49Å; V68-Q72 VanDerWaalsContact O-CG 3.27Å; V68-Q72 WeakPolarHBondContact O-CG 3.27Å; V68-Q72 PolarHBondContact O-N 3.45Å; R70-Q72 PolarHBondContact O-N 3.47Å; Q72-L75 PolarHBondContact O-N 2.98Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3.16Å
73Q88.4Confident84.4Confident130 Ų130100.8 Ų100.861%0.60752%0.516SS*.Hα-helixtrans-64.3-44.2173.5-73.5174.43.200111.5L69 R70 L71 L75 L76 V77L69-Q73 VanDerWaalsContact O-CG 3.32Å; L69-Q73 WeakPolarHBondContact O-CG 3.21Å; L69-Q73 PolarHBondContact O-N 2.92Å; R70-Q73 WeakPolarHBondContact O-CB 3.48Å; R70-Q73 PolarHBondContact O-N 3.42Å; L71-Q73 VanDerWaalsContact C-N 3.35Å; Q73-L75 PolarHBondContact O-N 3.4Å; Q73-L76 PolarHBondContact O-N 3Å; Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.29Å; Q73-V77 PolarHBondContact O-N 2.74Å
74E90.3Very high82.9Confident91 Ų91103 Ų10343%0.42553%0.525SS..Hα-helixtrans-60.6-42.3176.3-74.8174.5-161.200112.1R70 L71 V77 S78R70-E74 IonicContact CZ-OE1 3.1Å; R70-E74 IonicContact NE-OE1 2.76Å; R70-E74 PolarHBondContact NE-OE1 3.17Å; R70-E74 IonicContact NH2-OE1 3.4Å; R70-E74 PolarHBondContact NH2-OE1 3.3Å; R70-E74 IonicContact NH2-OE2 3.69Å; R70-E74 WeakPolarHBondContact O-CG 3.32Å; R70-E74 PolarHBondContact O-N 2.95Å; L71-E74 PolarHBondContact O-N 3.34Å; E74-V77 PolarHBondContact O-N 2.96Å; E74-S78 WeakPolarHBondContact O-CB 3.34Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.45Å
75L87.3Confident81.1Confident117 Ų117103.7 Ų103.761%0.61353%0.529SS*.Hα-helixtrans-67.3-37.4175.9-81.5171000113.3L71 Q72 Q73 V77 S78 R79L71-L75 WeakPolarHBondContact O-CB 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.35Å; Q72-L75 PolarHBondContact O-N 2.98Å; Q73-L75 PolarHBondContact O-N 3.4Å; L75-V77 VanDerWaalsContact C-N 3.33Å; L75-S78 WeakPolarHBondContact CA-OG 3.45Å; L75-S78 PolarHBondContact O-OG 3.13Å; L75-S78 VanDerWaalsContact O-OG 3.06Å; L75-R79 VanDerWaalsContact O-CB 3.23Å; L75-R79 WeakPolarHBondContact O-CB 3.28Å; L75-R79 PolarHBondContact O-N 3.38Å
76L86.7Confident79.3Confident120 Ų120100 Ų10063%0.62852%0.518SS*.Hα-helixtrans-66.3-40175.3-75.5170.2000110.9Q72 Q73 A80Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.42Å; Q72-L76 PolarHBondContact O-N 3.16Å; Q73-L76 PolarHBondContact O-N 3Å; L76-A80 WeakPolarHBondContact O-CB 3.3Å; L76-A80 PolarHBondContact O-N 3.46Å
77V85.9Confident76.8Confident93 Ų9397.3 Ų97.356%0.56451%0.514SS*.Hα-helixtrans-67.4-46.3175.3172.30000110.7Q73 E74 L75 R79 A80 T81Q73-V77 VanDerWaalsContact O-CG2 3.3Å; Q73-V77 WeakPolarHBondContact O-CG2 3.29Å; Q73-V77 PolarHBondContact O-N 2.74Å; E74-V77 PolarHBondContact O-N 2.96Å; L75-V77 VanDerWaalsContact C-N 3.33Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.45Å; V77-A80 PolarHBondContact O-N 3.15Å; V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 3Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.12Å
78S79.4Confident74.5Confident46 Ų46103.5 Ų103.532%0.32253%0.533SS..Hα-helixtrans-61.7-43.2179.1730000111.7E74 L75 A80 T81 D82E74-S78 WeakPolarHBondContact O-CB 3.34Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.45Å; L75-S78 WeakPolarHBondContact CA-OG 3.45Å; L75-S78 PolarHBondContact O-OG 3.13Å; L75-S78 VanDerWaalsContact O-OG 3.06Å; S78-A80 PolarHBondContact O-N 3.25Å; S78-T81 WeakPolarHBondContact CA-OG1 3.42Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 PolarHBondContact O-OG1 3.16Å; S78-D82 WeakPolarHBondContact O-CB 3.5Å; S78-D82 PolarHBondContact O-N 2.96Å
79R80.7Confident72.3Confident173 Ų173108.1 Ų108.165%0.65355%0.55SS*.Hα-helixtrans-63.2-42.3175.5-174.4175.7-176.1169.23.8112.3L75 V77 T81 D82 D83L75-R79 VanDerWaalsContact O-CB 3.23Å; L75-R79 WeakPolarHBondContact O-CB 3.28Å; L75-R79 PolarHBondContact O-N 3.38Å; V77-R79 VanDerWaalsContact C-N 3.35Å; V77-R79 PolarHBondContact O-N 3.45Å; R79-T81 VanDerWaalsContact C-N 3.28Å; R79-T81 PolarHBondContact O-N 3.18Å; R79-D82 PolarHBondContact O-N 2.91Å; R79-D83 WeakPolarHBondContact O-CB 3.35Å; R79-D83 PolarHBondContact O-N 3.36Å
80A75.3Confident69.9Low58 Ų58109.7 Ų109.748%0.47956%0.563SS.*Hα-helixtrans-65.4-32.4176.500000112.4L76 V77 S78 T84L76-A80 WeakPolarHBondContact O-CB 3.3Å; L76-A80 PolarHBondContact O-N 3.46Å; V77-A80 PolarHBondContact O-N 3.15Å; S78-A80 PolarHBondContact O-N 3.25Å; A80-T84 PolarHBondContact O-N 3.32Å; A80-T84 PolarHBondContact O-OG1 2.88Å; A80-T84 VanDerWaalsContact O-OG1 3.11Å
81T72.5Confident67.2Low65 Ų65108 Ų10840%0.39958%0.58SS.*Hα-helixtrans-78.7-29.9174.853.80000113.6V77 S78 R79 T84 N85V77-T81 WeakPolarHBondContact O-CG2 3.49Å; V77-T81 PolarHBondContact O-N 3Å; V77-T81 PolarHBondContact O-OG1 3.3Å; V77-T81 VanDerWaalsContact O-OG1 3.12Å; S78-T81 WeakPolarHBondContact CA-OG1 3.42Å; S78-T81 PolarHBondContact O-N 3.06Å; S78-T81 PolarHBondContact O-OG1 3.16Å; R79-T81 VanDerWaalsContact C-N 3.28Å; R79-T81 PolarHBondContact O-N 3.18Å; T81-T84 VanDerWaalsContact CA-OG1 3.32Å; T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.2Å; T81-N85 WeakPolarHBondContact O-CB 2.92Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 3.25Å
82D64.1Low64.7Low96 Ų96107.8 Ų107.851%0.51359%0.591SS.*Hα-helixtrans-74.4-34.2173.7-68.2-25.9000111.2S78 R79 N85 S86S78-D82 WeakPolarHBondContact O-CB 3.5Å; S78-D82 PolarHBondContact O-N 2.96Å; R79-D82 PolarHBondContact O-N 2.91Å; D82-N85 PolarHBondContact O-N 2.93Å; D82-S86 VanDerWaalsContact O-CB 3.26Å; D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.01Å
83D58.8Low62.2Low98 Ų98107.9 Ų107.952%0.52461%0.61SS.*Hα-helixtrans-68.5-32.6172.6-76-22.8000111.7R79 S86 S87R79-D83 WeakPolarHBondContact O-CB 3.35Å; R79-D83 PolarHBondContact O-N 3.36Å; D83-S86 WeakPolarHBondContact CA-OG 3.3Å; D83-S86 PolarHBondContact O-OG 3.39Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.42Å
84T57.4Low59.5Low91 Ų91105.3 Ų105.356%0.55862%0.618SS**Hα-helixtrans-78.3-31.3172.145.80000113.5A80 T81 S87A80-T84 PolarHBondContact O-N 3.32Å; A80-T84 PolarHBondContact O-OG1 2.88Å; A80-T84 VanDerWaalsContact O-OG1 3.11Å; T81-T84 VanDerWaalsContact CA-OG1 3.32Å; T81-T84 WeakPolarHBondContact CA-OG1 3.43Å; T81-T84 PolarHBondContact O-OG1 3.2Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å
85N53.9Low56.8Low119 Ų119109 Ų10964%0.63664%0.641SS**Hα-helixtrans-76.7-35.2174.4-78.2-18.3000113T81 D82 S87 W88T81-N85 WeakPolarHBondContact O-CB 2.92Å; T81-N85 PolarHBondContact O-N 3.38Å; T81-N85 PolarHBondContact O-ND2 3.25Å; D82-N85 PolarHBondContact O-N 2.93Å; N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 3.33Å; N85-W88 PolarHBondContact O-N 3.26Å
86S48.9Very low54.1Low53 Ų53113.4 Ų113.437%0.37166%0.655SS.*Hα-helixtrans-72.1-21.5172.663.20000113D82 D83 W88 E89 T90D82-S86 VanDerWaalsContact O-CB 3.26Å; D82-S86 WeakPolarHBondContact O-CB 3.23Å; D82-S86 PolarHBondContact O-N 3.1Å; D82-S86 PolarHBondContact O-OG 3.01Å; D83-S86 WeakPolarHBondContact CA-OG 3.3Å; D83-S86 PolarHBondContact O-OG 3.39Å; S86-W88 PolarHBondContact O-N 3.19Å; S86-W88 VanDerWaalsContact O-N 3.12Å; S86-E89 PolarHBondContact O-N 3.02Å; S86-T90 PolarHBondContact O-N 3.36Å
87S40.3Very low51.7Low83 Ų83119.2 Ų119.258%0.5867%0.668SS**THydrogen-bonded Turntrans-64.7-7.7170.4-172.70000113.8D83 T84 N85D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.42Å; T84-S87 WeakPolarHBondContact O-CB 3.5Å; N85-S87 VanDerWaalsContact C-N 3.29Å; N85-S87 PolarHBondContact O-N 3.33Å
88W43.8Very low48.9Very low237 Ų237123.8 Ų123.890%0.89868%0.683SS**THydrogen-bonded Turntrans-100.3-2.1170.4-124.2-91000114.3N85 S86N85-W88 PolarHBondContact O-N 3.26Å; S86-W88 PolarHBondContact O-N 3.19Å; S86-W88 VanDerWaalsContact O-N 3.12Å
89E46.1Very low46.7Very low171 Ų171124.8 Ų124.880%0.79970%0.701SS**THydrogen-bonded Turntrans-120.7-3.4-178.2-79-170.8161.600115.6S86 A91S86-E89 PolarHBondContact O-N 3.02Å; E89-A91 PolarHBondContact O-N 2.92Å
90T38Very low44.1Very low123 Ų123126 Ų12676%0.75571%0.714SS**  trans-99.765.3171.855.40000112.7S86S86-T90 PolarHBondContact O-N 3.36Å
91A38.1Very low41.9Very low106 Ų106134.1 Ų134.188%0.87673%0.732SS**SBendtrans-121.838.9156.500000110.7E89E89-A91 PolarHBondContact O-N 2.92Å
92A37.3Very low39.8Very low87 Ų87135.4 Ų135.472%0.71974%0.744SS**SBendtrans-158.4134.5165.400000111.7
93A33.3Very low38.1Very low108 Ų108138.3 Ų138.389%0.89376%0.759SS**  trans76.798.1165.600000117.5
94G31.6Very low36.6Very low76 Ų76142.8 Ų142.878%0.78478%0.777SS**  trans-89.4175.3168.700000115
95L33.9Very low35.1Very low170 Ų170144 Ų14489%0.8979%0.79SS**  trans83.792.5147.9-148.278.1000118.8
96K29.8Very low33.8Very low209 Ų209144.4 Ų144.491%0.90980%0.796SS**  -162.3122.1111.2-118.4172.1-179176.10111.9
97R36Very low32.7Very low242 Ų242146.9 Ų146.991%0.91381%0.814SS**  trans-107.3121.3173.1-168.2-166.1-74.1172.3-5106.2
98Q27.7Very low32.1Very low189 Ų189151.4 Ų151.488%0.88383%0.825SS**  trans-155.5120.3153.3-161.7150.2-10.200109.5
99G32.7Very low31.4Very low67 Ų67148.8 Ų148.869%0.69182%0.823SS**  trans-79.9149.3176.200000111.7
100Q26.8Very low30.5Very low198 Ų198149.4 Ų149.493%0.92583%0.826SS**  trans-150.3145.1152.4-123.5164.4-32.400110.1
101R28.6Very low30Very low228 Ų228150.1 Ų150.186%0.8683%0.83SS**  trans-97.1144.6-167.1161.1179.6-176.5-179.93.9108.9
102S27.8Very low29.6Very low93 Ų93152.4 Ų152.465%0.6583%0.828SS**  trans79.4135.9154.3-69.10000120.8
103D28.3Very low29.1Very low156 Ų156152.9 Ų152.983%0.83483%0.826SS**  trans9083.7152.3-56-13.7000118.7
104E27.7Very low29.1Very low192 Ų192150.9 Ų150.990%0.89782%0.816SS**  trans-114.8104.5151.6-108.4176.8142.900109.4V106E104-V106 PolarHBondContact O-N 2.86Å
105S25.5Very low29.1Very low118 Ų118151.9 Ų151.983%0.82581%0.807SS**  trans-63.8106.4168.350.30000110.3S107S105-S107 PolarHBondContact O-N 3.42Å
106V28Very low29.1Very low127 Ų127150.4 Ų150.477%0.7780%0.804SS**  trans-77.5107165.3176.60000107.9E104 E108E104-V106 PolarHBondContact O-N 2.86Å; V106-E108 PolarHBondContact O-N 2.99Å; V106-E108 VanDerWaalsContact O-N 3.14Å
107S26.2Very low29.3Very low105 Ų105148.6 Ų148.673%0.73480%0.797SS**  trans-69.4100.4167-172.20000108.3S105 Q109S105-S107 PolarHBondContact O-N 3.42Å; S107-Q109 PolarHBondContact O-N 3.32Å; S107-Q109 VanDerWaalsContact O-N 3.09Å
108E27.9Very low29.6Very low177 Ų177140 Ų14083%0.82777%0.773SS**  trans-67.499.4162.4-73.5-178.2143.200107.9V106 Q110V106-E108 PolarHBondContact O-N 2.99Å; V106-E108 VanDerWaalsContact O-N 3.14Å; E108-Q110 PolarHBondContact O-N 3.34Å
109Q27.4Very low30.4Very low182 Ų182134 Ų13485%0.8575%0.752SS**  trans-66.490.2164.6-91.1171.7-36.500108.7S107 T111S107-Q109 PolarHBondContact O-N 3.32Å; S107-Q109 VanDerWaalsContact O-N 3.09Å; Q109-T111 PolarHBondContact O-N 3.45Å
110Q28.3Very low30.9Very low185 Ų185136.6 Ų136.686%0.86475%0.754SS**  trans-64.2107.2166.9-15516132.200107.7E108 D112E108-Q110 PolarHBondContact O-N 3.34Å; Q110-D112 PolarHBondContact O-N 2.93Å
111T27.5Very low31.6Very low137 Ų137131.4 Ų131.484%0.8473%0.726SS**  trans-62.998.3168.940.40000108.9Q109 S113Q109-T111 PolarHBondContact O-N 3.45Å; T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.01Å
112D28.6Very low32.3Very low155 Ų155125.3 Ų125.383%0.82971%0.707SS**  trans-72.284168.6-16915.7000109Q110Q110-D112 PolarHBondContact O-N 2.93Å
113S28.2Very low33.2Very low97 Ų97124.7 Ų124.768%0.67870%0.699SS**  trans-95.185.9160.9179.40000107.3T111 T115T111-S113 VanDerWaalsContact C-N 3.31Å; T111-S113 PolarHBondContact O-N 3.01Å; S113-T115 PolarHBondContact O-N 3.41Å; S113-T115 PolarHBondContact OG-OG1 3.01Å
114G32.7Very low34Very low66 Ų66119.9 Ų119.968%0.6867%0.671SS**  trans-66.455.5176.200000114.3V116G114-V116 PolarHBondContact O-N 3.4Å
115T30.6Very low35.1Very low97 Ų97111.6 Ų111.660%0.59563%0.632SS**  trans-84.793.6161.71.10000107.3S113 F117S113-T115 PolarHBondContact O-N 3.41Å; S113-T115 PolarHBondContact OG-OG1 3.01Å; T115-F117 PolarHBondContact O-N 3.19Å
116V35.2Very low36.3Very low138 Ų138115.5 Ų115.584%0.83663%0.629SS**  trans-62.284.7169.4-1780000107.7G114 P118G114-V116 PolarHBondContact O-N 3.4Å; V116-P118 WeakPolarHBondContact O-CD 3.04Å
117F32.8Very low37.1Very low172 Ų172112 Ų11275%0.75460%0.604SS**PPolyproline II helixtrans-63.5124161.5-94.3-90.4000106.3T115 S119T115-F117 PolarHBondContact O-N 3.19Å; F117-S119 PolarHBondContact O-N 3.5Å
118P42.5Very low38Very low61 Ų61112.1 Ų112.140%0.39659%0.588SS.*PPolyproline II helixtrans-50.1131.6168-1928.7000106.9V116 V120 E122 V123V116-P118 WeakPolarHBondContact O-CD 3.04Å; P118-V120 PolarHBondContact O-N 3.26Å; P118-E122 HydrophobicContact CB-CB 4.31Å; P118-V123 HydrophobicContact CB-CG2 4.2Å
119S45.1Very low38.8Very low64 Ų64107.3 Ų107.345%0.44857%0.565SS.*PPolyproline II helixtrans-51.5137.8179.271.30000107.9F117 W121 E122 V123F117-S119 PolarHBondContact O-N 3.5Å; S119-W121 CarbonylContact O-C 3.55Å; S119-W121 PolarHBondContact O-N 2.86Å; S119-E122 WeakPolarHBondContact O-CA 3.42Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 PolarHBondContact OG-N 2.74Å; S119-V123 PolarHBondContact O-N 3.36Å
120V42.9Very low39.6Very low121 Ų121104.6 Ų104.673%0.73355%0.547SS*.Hα-helixtrans-51.3-21.6-179.6178.90000111.5P118 V123 F124P118-V120 PolarHBondContact O-N 3.26Å; V120-V123 PolarHBondContact O-N 2.78Å; V120-F124 WeakPolarHBondContact O-CB 3.44Å; V120-F124 PolarHBondContact O-N 2.81Å
121W41.2Very low40Very low89 Ų89102.6 Ų102.634%0.33753%0.531SS..Hα-helixtrans-68.9-40.2170.9-163.9-115.1000115.5S119 V123 F124 L125 I375S119-W121 CarbonylContact O-C 3.55Å; S119-W121 PolarHBondContact O-N 2.86Å; W121-V123 VanDerWaalsContact C-N 3.31Å; W121-F124 AromaticContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CG 4.44Å; W121-F124 HydrophobicContact CH2-CD1 4.34Å; W121-F124 HydrophobicContact CH2-CE1 4.22Å; W121-F124 AromaticContact CZ3-CD1 3.81Å; W121-F124 HydrophobicContact CZ3-CD1 3.81Å; W121-F124 AromaticContact CZ3-CE1 3.96Å; W121-F124 HydrophobicContact CZ3-CE1 3.96Å; W121-F124 PolarHBondContact O-N 3.36Å; W121-L125 WeakPolarHBondContact O-CB 3.47Å; W121-L125 WeakPolarHBondContact O-CG 3.42Å; W121-L125 PolarHBondContact O-N 2.85Å; W121-I375 HydrophobicContact CH2-CD1 3.61Å; W121-I375 HydrophobicContact CH2-CG1 4.15Å; W121-I375 HydrophobicContact CH2-CG2 4.37Å; W121-I375 HydrophobicContact CZ2-CB 4.35Å; W121-I375 HydrophobicContact CZ2-CD1 3.83Å; W121-I375 HydrophobicContact CZ2-CG1 3.95Å; W121-I375 HydrophobicContact CZ2-CG2 3.47Å; W121-I375 VanDerWaalsContact CZ2-CG2 3.47Å
122E43Very low40.5Very low99 Ų9998.5 Ų98.546%0.46350%0.502SS..Hα-helixtrans-65.4-38.3170.7-73.8-174.115900110.7P118 S119 R126P118-E122 HydrophobicContact CB-CB 4.31Å; S119-E122 WeakPolarHBondContact O-CA 3.42Å; S119-E122 WeakPolarHBondContact O-CB 3.32Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 PolarHBondContact OG-N 2.74Å; E122-R126 WeakPolarHBondContact O-CB 3.39Å; E122-R126 PolarHBondContact O-N 2.84Å
123V47.4Very low41.1Very low80 Ų8096.4 Ų96.449%0.48549%0.487SS..Hα-helixtrans-66-41.5174.3-1760000110.8P118 S119 V120 W121 F127P118-V123 HydrophobicContact CB-CG2 4.2Å; S119-V123 PolarHBondContact O-N 3.36Å; V120-V123 PolarHBondContact O-N 2.78Å; W121-V123 VanDerWaalsContact C-N 3.31Å; V123-F127 WeakPolarHBondContact O-CB 3.08Å; V123-F127 PolarHBondContact O-N 3.32Å
124F44.8Very low41.4Very low56 Ų5696.6 Ų96.625%0.24648%0.477CS..Hα-helixtrans-63.4-49.2176177.2-96.8000112.6V120 W121 F127 W128V120-F124 WeakPolarHBondContact O-CB 3.44Å; V120-F124 PolarHBondContact O-N 2.81Å; W121-F124 AromaticContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CD1 3.98Å; W121-F124 HydrophobicContact CE3-CG 4.44Å; W121-F124 HydrophobicContact CH2-CD1 4.34Å; W121-F124 HydrophobicContact CH2-CE1 4.22Å; W121-F124 AromaticContact CZ3-CD1 3.81Å; W121-F124 HydrophobicContact CZ3-CD1 3.81Å; W121-F124 AromaticContact CZ3-CE1 3.96Å; W121-F124 HydrophobicContact CZ3-CE1 3.96Å; W121-F124 PolarHBondContact O-N 3.36Å; F124-F127 PolarHBondContact O-N 3.21Å; F124-W128 HydrophobicContact CD2-CE3 4.32Å; F124-W128 AromaticContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CZ3 4.19Å; F124-W128 AromaticContact CE2-CE3 3.49Å; F124-W128 HydrophobicContact CE2-CE3 3.49Å; F124-W128 VanDerWaalsContact CE2-CE3 3.49Å; F124-W128 AromaticContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CZ-CD2 4.31Å; F124-W128 AromaticContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CH2 4.35Å; F124-W128 AromaticContact CZ-CZ3 3.22Å; F124-W128 HydrophobicContact CZ-CZ3 3.22Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.29Å; F124-W128 PolarHBondContact O-N 2.8Å
125L51.5Low41.5Very low17 Ų1799.2 Ų99.29%0.08948%0.475CS..Hα-helixtrans-67.4-38.7178-73174.6000111.5W121 F127 W128 F129 I375W121-L125 WeakPolarHBondContact O-CB 3.47Å; W121-L125 WeakPolarHBondContact O-CG 3.42Å; W121-L125 PolarHBondContact O-N 2.85Å; L125-F127 VanDerWaalsContact C-N 3.34Å; L125-W128 PolarHBondContact O-N 3.48Å; L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.39Å; L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.29Å; L125-I375 HydrophobicContact CD2-CG2 4.47Å
126R51.1Low41.9Very low201 Ų20197.4 Ų97.476%0.75846%0.461SS*.Hα-helixtrans-68.6-35.4176.8-153.9165.384.8163.18.6111.4E122 W130E122-R126 WeakPolarHBondContact O-CB 3.39Å; E122-R126 PolarHBondContact O-N 2.84Å; R126-W130 WeakPolarHBondContact O-CB 3.35Å; R126-W130 PolarHBondContact O-N 2.97Å
127F45Very low41.8Very low54 Ų5494.4 Ų94.424%0.23745%0.446CS..Hα-helixtrans-72.7-36.9173.8-173.2-101000112.5M27 V123 F124 L125 W130 W131M27-F127 HydrophobicContact CE-CD1 4.35Å; M27-F127 HydrophobicContact CE-CE1 3.71Å; M27-F127 HydrophobicContact CE-CZ 4.43Å; V123-F127 WeakPolarHBondContact O-CB 3.08Å; V123-F127 PolarHBondContact O-N 3.32Å; F124-F127 PolarHBondContact O-N 3.21Å; L125-F127 VanDerWaalsContact C-N 3.34Å; F127-W130 HydrophobicContact CD2-CE3 4.21Å; F127-W130 AromaticContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CZ3 4.03Å; F127-W130 PolarHBondContact O-N 2.64Å; F127-W131 HydrophobicContact CZ-CE3 4.49Å; F127-W131 VanDerWaalsContact O-CB 3.26Å; F127-W131 WeakPolarHBondContact O-CB 3.26Å; F127-W131 PolarHBondContact O-N 3.01Å
128W44Very low41.7Very low106 Ų10692 Ų9240%0.40245%0.446SS..Hα-helixtrans-75.6-37.1176.7-153.7-60.4000111.7F124 L125 W130 W131 F132 L372F124-W128 HydrophobicContact CD2-CE3 4.32Å; F124-W128 AromaticContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CE3 3.8Å; F124-W128 HydrophobicContact CE1-CZ3 4.19Å; F124-W128 AromaticContact CE2-CE3 3.49Å; F124-W128 HydrophobicContact CE2-CE3 3.49Å; F124-W128 VanDerWaalsContact CE2-CE3 3.49Å; F124-W128 AromaticContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CE2-CZ3 3.54Å; F124-W128 HydrophobicContact CZ-CD2 4.31Å; F124-W128 AromaticContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CE3 3.19Å; F124-W128 HydrophobicContact CZ-CH2 4.35Å; F124-W128 AromaticContact CZ-CZ3 3.22Å; F124-W128 HydrophobicContact CZ-CZ3 3.22Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.29Å; F124-W128 PolarHBondContact O-N 2.8Å; L125-W128 PolarHBondContact O-N 3.48Å; W128-W130 VanDerWaalsContact C-N 3.35Å; W128-W131 PolarHBondContact O-N 3.31Å; W128-F132 WeakPolarHBondContact O-CB 3.24Å; W128-F132 PolarHBondContact O-N 2.77Å; W128-L372 HydrophobicContact CD2-CD2 4.34Å; W128-L372 HydrophobicContact CZ2-CD1 4.28Å; W128-L372 HydrophobicContact CZ2-CD2 4.33Å
129F45Very low41Very low76 Ų7695.9 Ų95.933%0.33346%0.463SS..Hα-helixtrans-62.2-42.4168.5-100.6-87.1000111L125 F132 Q133L125-F129 VanDerWaalsContact O-CB 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.39Å; L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.29Å; F129-F132 WeakPolarHBondContact O-CB 3.5Å; F129-F132 PolarHBondContact O-N 3.4Å; F129-Q133 WeakPolarHBondContact O-CB 3.34Å; F129-Q133 PolarHBondContact O-N 3.34Å
130W44.6Very low40.4Very low125 Ų12598.1 Ų98.147%0.47348%0.476SS..Hα-helixtrans-63.6-42.5173.4-176.776.9000111.9R126 F127 W128 F132 Q133 E134R126-W130 WeakPolarHBondContact O-CB 3.35Å; R126-W130 PolarHBondContact O-N 2.97Å; F127-W130 HydrophobicContact CD2-CE3 4.21Å; F127-W130 AromaticContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CE3 3.99Å; F127-W130 HydrophobicContact CE2-CZ3 4.03Å; F127-W130 PolarHBondContact O-N 2.64Å; W128-W130 VanDerWaalsContact C-N 3.35Å; W130-F132 VanDerWaalsContact C-N 3.34Å; W130-F132 PolarHBondContact O-N 2.79Å; W130-Q133 WeakPolarHBondContact O-CB 3.34Å; W130-Q133 PolarHBondContact O-N 2.87Å; W130-E134 PolarHBondContact O-N 2.97Å
131W36.1Very low39.9Very low143 Ų14397.2 Ų97.254%0.54247%0.471SS..Hα-helixtrans-63.9-35.1173.2-174.8-85.9000112.9F127 W128 E134 L135F127-W131 HydrophobicContact CZ-CE3 4.49Å; F127-W131 VanDerWaalsContact O-CB 3.26Å; F127-W131 WeakPolarHBondContact O-CB 3.26Å; F127-W131 PolarHBondContact O-N 3.01Å; W128-W131 PolarHBondContact O-N 3.31Å; W131-E134 PolarHBondContact O-N 3.39Å; W131-L135 PolarHBondContact O-N 3.39Å
132F38.8Very low39.5Very low52 Ų5298.3 Ų98.323%0.22849%0.489CS..Hα-helixtrans-68.9-39.6173.2-138.9-95.7000111.1W128 F129 W130 E134 L135 I136 Q323W128-F132 WeakPolarHBondContact O-CB 3.24Å; W128-F132 PolarHBondContact O-N 2.77Å; F129-F132 WeakPolarHBondContact O-CB 3.5Å; F129-F132 PolarHBondContact O-N 3.4Å; W130-F132 VanDerWaalsContact C-N 3.34Å; W130-F132 PolarHBondContact O-N 2.79Å; F132-E134 PolarHBondContact O-N 3.45Å; F132-L135 PolarHBondContact O-N 3.23Å; F132-I136 HydrophobicContact CD1-CD1 3.59Å; F132-I136 HydrophobicContact CD1-CG1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 4.02Å; F132-I136 WeakPolarHBondContact O-CB 3.47Å; F132-I136 WeakPolarHBondContact O-CD1 3.29Å; F132-I136 WeakPolarHBondContact O-CG1 3.3Å; F132-I136 PolarHBondContact O-N 2.94Å; F132-Q323 HydrophobicContact CE1-CB 4.47Å; F132-Q323 HydrophobicContact CE1-CG 4.28Å; F132-Q323 HydrophobicContact CZ-CG 4Å
133Q41.4Very low38.9Very low110 Ų11099.9 Ų99.951%0.51450%0.501SS..Hα-helixtrans-63-32.1174.8-151.9166.71.400111.6F129 W130 S137F129-Q133 WeakPolarHBondContact O-CB 3.34Å; F129-Q133 PolarHBondContact O-N 3.34Å; W130-Q133 WeakPolarHBondContact O-CB 3.34Å; W130-Q133 PolarHBondContact O-N 2.87Å; Q133-S137 PolarHBondContact O-N 3.34Å; Q133-S137 PolarHBondContact O-OG 3.4Å
134E34.3Very low38.3Very low102 Ų102103.1 Ų103.148%0.47752%0.515SS..Hα-helixtrans-83.7-29.4176.5-127.664.915500114W130 W131 F132 I136 S137W130-E134 PolarHBondContact O-N 2.97Å; W131-E134 PolarHBondContact O-N 3.39Å; F132-E134 PolarHBondContact O-N 3.45Å; E134-I136 PolarHBondContact O-N 3.21Å; E134-S137 PolarHBondContact O-N 3.48Å
135L33.2Very low37.7Very low120 Ų120106 Ų10663%0.62853%0.532SS*.Hα-helixtrans-68.8-23.9167.3-93.6158.7000112.8W131 F132W131-L135 PolarHBondContact O-N 3.39Å; F132-L135 PolarHBondContact O-N 3.23Å
136I38.8Very low36.8Very low60 Ų60113.3 Ų113.331%0.30857%0.57SS.*Hα-helixtrans-89.5-20.6175.8-67.2165.5000111.6F132 E134 V138 P263F132-I136 HydrophobicContact CD1-CD1 3.59Å; F132-I136 HydrophobicContact CD1-CG1 4.42Å; F132-I136 HydrophobicContact CE1-CD1 4.02Å; F132-I136 WeakPolarHBondContact O-CB 3.47Å; F132-I136 WeakPolarHBondContact O-CD1 3.29Å; F132-I136 WeakPolarHBondContact O-CG1 3.3Å; F132-I136 PolarHBondContact O-N 2.94Å; E134-I136 PolarHBondContact O-N 3.21Å; I136-V138 PolarHBondContact O-N 3.23Å; I136-P263 HydrophobicContact CD1-CB 4.17Å; I136-P263 HydrophobicContact CD1-CG 4.48Å; I136-P263 HydrophobicContact CG1-CG 4.35Å; I136-P263 HydrophobicContact CG2-CB 4.38Å; I136-P263 HydrophobicContact CG2-CG 4.39Å; I136-P263 WeakPolarHBondContact CG2-O 3.43Å
137S33.2Very low35.9Very low74 Ų74110.7 Ų110.752%0.51757%0.567SS.*  trans-79.870.2172.4-65.80000110.7Q133 E134 D139Q133-S137 PolarHBondContact O-N 3.34Å; Q133-S137 PolarHBondContact O-OG 3.4Å; E134-S137 PolarHBondContact O-N 3.48Å; S137-D139 PolarHBondContact O-N 2.66Å
138V32.5Very low35.4Very low123 Ų123113.1 Ų113.175%0.74559%0.59SS**  trans-68.9110144.7177.50000104.8I136 P140I136-V138 PolarHBondContact O-N 3.23Å; V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å
139D26.8Very low34.6Very low141 Ų141119.5 Ų119.575%0.75461%0.614SS**  trans-41.1116.1170.3-114.9-20.1000108.4S137 T141S137-D139 PolarHBondContact O-N 2.66Å; D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.32Å
140P33.3Very low34.3Very low111 Ų111123.1 Ų123.172%0.72164%0.636SS**  trans-69.3102.516328-27.2000104.6V138V138-P140 VanDerWaalsContact O-CD 3.3Å; V138-P140 WeakPolarHBondContact O-CD 3.36Å
141T31.7Very low33.8Very low103 Ų103125.5 Ų125.563%0.63265%0.653SS**  trans-42.2128.415733.40000107.4D139 D143D139-T141 VanDerWaalsContact C-N 3.28Å; D139-T141 PolarHBondContact O-N 3.32Å; T141-D143 PolarHBondContact O-N 3.45Å
142P33.6Very low33.7Very low112 Ų112125.1 Ų125.173%0.72767%0.666SS**  trans-6991.6178.127.8-31.6000106.8L144P142-L144 PolarHBondContact O-N 3.23Å
143D29Very low33.9Very low131 Ų131128.8 Ų128.870%0.70169%0.688SS**  trans-70.481.3166.3-82.3-12.8000107T141 L145T141-D143 PolarHBondContact O-N 3.45Å; D143-L145 HydrophobicContact CB-CG 4.44Å; D143-L145 PolarHBondContact O-N 3.3Å
144L35.8Very low34.2Very low149 Ų149127.5 Ų127.578%0.7869%0.689SS**  trans-62.568.2156.4-75.9170.3000108.4P142P142-L144 PolarHBondContact O-N 3.23Å
145L30.9Very low34.7Very low116 Ų116131.5 Ų131.561%0.60770%0.7SS**  trans-109.571.3169.1-66.6-163.9000108.9D143 H147D143-L145 HydrophobicContact CB-CG 4.44Å; D143-L145 PolarHBondContact O-N 3.3Å; L145-H147 WeakPolarHBondContact CB-ND1 3.39Å; L145-H147 PolarHBondContact O-N 3Å
146L34.3Very low35.5Very low170 Ų170129.3 Ų129.389%0.8969%0.694SS**  trans-59.972.6147.8-79.6162.1000108.5S148L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.36Å; L146-S148 VanDerWaalsContact O-N 3.17Å
147H30.7Very low36.2Very low147 Ų147132.4 Ų132.468%0.68171%0.712SS**  trans-84.588167.9-85.866.5000108.4L145 R149L145-H147 WeakPolarHBondContact CB-ND1 3.39Å; L145-H147 PolarHBondContact O-N 3Å; H147-R149 PolarHBondContact O-N 3.25Å; H147-R149 VanDerWaalsContact O-N 3.07Å
148S35.1Very low37.5Very low104 Ų104131.6 Ų131.673%0.72771%0.71SS**  trans-49.4107.2157.4162.20000109.8L146L146-S148 VanDerWaalsContact C-N 3.34Å; L146-S148 PolarHBondContact O-N 3.36Å; L146-S148 VanDerWaalsContact O-N 3.17Å
149R27Very low39Very low240 Ų240128.9 Ų128.991%0.90669%0.691SS**  trans-126.2104.2153.8-90.6-168.5175.5-151.30.7108.9H147 Q151H147-R149 PolarHBondContact O-N 3.25Å; H147-R149 VanDerWaalsContact O-N 3.07Å; R149-Q151 PolarHBondContact O-N 3.08Å
150L38.7Very low41.1Very low153 Ų153125.4 Ų125.480%0.80167%0.672SS**  trans-52.2115.3161.8-79141000109.7
151Q33.9Very low42.7Very low175 Ų175122.2 Ų122.282%0.81865%0.651SS**  trans177.4114.7140.1-96.2162.761.100111.2R149R149-Q151 PolarHBondContact O-N 3.08Å
152T34.1Very low44.6Very low135 Ų135118.4 Ų118.483%0.82863%0.626SS**SBendtrans60.3116.2161.518.30000119.2P154T152-P154 WeakPolarHBondContact O-CD 3.17Å; T152-P154 VanDerWaalsContact O-CG 3.26Å; T152-P154 WeakPolarHBondContact O-CG 3.34Å; T152-P154 VanDerWaalsContact O-N 3.12Å
153D43.3Very low46.6Very low129 Ų129119.3 Ų119.369%0.6962%0.622SS**  trans-35.391.6-167.2-74.5-31000118.3
154P48.2Very low48.9Very low82 Ų82120.1 Ų120.153%0.53262%0.615SS.*  trans-87.3-10170.3-4.826.5000112.4T152 A158T152-P154 WeakPolarHBondContact O-CD 3.17Å; T152-P154 VanDerWaalsContact O-CG 3.26Å; T152-P154 WeakPolarHBondContact O-CG 3.34Å; T152-P154 VanDerWaalsContact O-N 3.12Å; P154-A158 PolarHBondContact O-N 3.37Å
155W44.9Very low50.9Low187 Ų187113 Ų11371%0.70858%0.578SS**Hα-helixtrans-71-34.8-176.4-63.989.7000111.9D157 A158 L159W155-D157 PolarHBondContact O-N 2.92Å; W155-A158 PolarHBondContact O-N 3.42Å; W155-L159 HydrophobicContact CB-CD1 4.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.21Å
156S48.9Very low53.3Low73 Ų73111.4 Ų111.451%0.5157%0.569SS.*Hα-helixtrans-61.8-43.9179.4-54.70000111.8L160S156-L160 VanDerWaalsContact O-CB 3.23Å; S156-L160 WeakPolarHBondContact O-CB 3.4Å; S156-L160 PolarHBondContact O-N 2.59Å
157D55.2Low55.5Low125 Ų125110.1 Ų110.167%0.66856%0.559SS**Hα-helixtrans-76-33.5-178.2-73.4-18.2000113W155 P161W155-D157 PolarHBondContact O-N 2.92Å; D157-P161 WeakPolarHBondContact O-CD 3.43Å
158A58.8Low57.8Low58 Ų58103.6 Ų103.648%0.47953%0.53SS..Hα-helixtrans-75.3-33.3175.900000112.7P154 W155 H162P154-A158 PolarHBondContact O-N 3.37Å; W155-A158 PolarHBondContact O-N 3.42Å; A158-H162 PolarHBondContact O-CE1 3.06Å; A158-H162 PolarHBondContact O-ND1 3.01Å
159L64.9Low59.9Low66 Ų6699 Ų9935%0.34650%0.498SS..Hα-helixtrans-83.4-24.5179.7-67.6170000112.8W155 H162 M163W155-L159 HydrophobicContact CB-CD1 4.3Å; W155-L159 WeakPolarHBondContact O-CB 3.35Å; W155-L159 WeakPolarHBondContact O-CD1 3.43Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.21Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 WeakPolarHBondContact O-CA 3.16Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 2.68Å; L159-M163 WeakPolarHBondContact O-CG 3.35Å; L159-M163 PolarHBondContact O-N 3.05Å
160L70.2Confident62.5Low68 Ų6890.6 Ų90.636%0.35647%0.474SS..Hα-helixtrans-55.8-45.2-178.3-179.467.6000113.8S156 H162 M163 R164S156-L160 VanDerWaalsContact O-CB 3.23Å; S156-L160 WeakPolarHBondContact O-CB 3.4Å; S156-L160 PolarHBondContact O-N 2.59Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.49Å; L160-M163 PolarHBondContact O-N 2.94Å; L160-R164 WeakPolarHBondContact O-CB 3.19Å; L160-R164 VanDerWaalsContact O-CG 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.94Å
161P67.9Low64.3Low43 Ų4385.1 Ų85.128%0.27945%0.449SS..Hα-helixtrans-60.6-36.9173.1-23.433.3000113.2D157 F165 V205D157-P161 WeakPolarHBondContact O-CD 3.43Å; P161-F165 WeakPolarHBondContact O-CB 3.3Å; P161-F165 PolarHBondContact O-N 2.77Å; P161-V205 HydrophobicContact CB-CG1 3.87Å; P161-V205 HydrophobicContact CG-CG1 4.35Å
162H71.9Confident66.3Low24 Ų2476.8 Ų76.811%0.11141%0.41CS..Hα-helixtrans-70.9-42.5-179.5-62.683.3000111.6A158 L159 L160 F165 L166 L212 L215A158-H162 PolarHBondContact O-CE1 3.06Å; A158-H162 PolarHBondContact O-ND1 3.01Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 WeakPolarHBondContact O-CA 3.16Å; L159-H162 WeakPolarHBondContact O-CB 3.45Å; L159-H162 PolarHBondContact O-N 2.68Å; L160-H162 VanDerWaalsContact C-N 3.29Å; L160-H162 PolarHBondContact O-N 3.49Å; H162-F165 WeakPolarHBondContact O-CB 3.14Å; H162-F165 PolarHBondContact O-N 2.76Å; H162-L166 WeakPolarHBondContact O-CG 3.26Å; H162-L166 PolarHBondContact O-N 3.47Å; H162-L212 WeakPolarHBondContact NE2-CD1 3.4Å; H162-L215 WeakPolarHBondContact CD2-CD2 3.4Å; H162-L215 WeakPolarHBondContact NE2-CD2 3.33Å
163M75.5Confident68.5Low130 Ų13074.2 Ų74.264%0.6439%0.389SS*.Hα-helixtrans-64.1-42.6174.6-68.9-176.570.600111.3L159 L160 F165 L166 Q167L159-M163 WeakPolarHBondContact O-CG 3.35Å; L159-M163 PolarHBondContact O-N 3.05Å; L160-M163 PolarHBondContact O-N 2.94Å; M163-F165 VanDerWaalsContact C-N 3.35Å; M163-F165 PolarHBondContact O-N 3.29Å; M163-L166 PolarHBondContact O-N 2.66Å; M163-Q167 VanDerWaalsContact O-CB 3.3Å; M163-Q167 WeakPolarHBondContact O-CB 3.43Å; M163-Q167 PolarHBondContact O-N 3.27Å
164R77.6Confident70Confident148 Ų14877.4 Ų77.456%0.55839%0.391SS*.Hα-helixtrans-61.7-41.8174.9-74176-179.4176.61.2111.9L160 Q167 S168L160-R164 WeakPolarHBondContact O-CB 3.19Å; L160-R164 VanDerWaalsContact O-CG 3.29Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.94Å; R164-Q167 PolarHBondContact O-N 2.76Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.19Å; R164-S168 PolarHBondContact O-OG 2.9Å; R164-S168 VanDerWaalsContact O-OG 3.07Å
165F77.6Confident70.8Confident1 Ų174.9 Ų74.90%0.00437%0.373CS..Hα-helixtrans-61.3-47.2174.7170.7-95.1000112.6P161 H162 M163 Q167 S168 L169 L199 S202 V203 L215 L218 L219 A222P161-F165 WeakPolarHBondContact O-CB 3.3Å; P161-F165 PolarHBondContact O-N 2.77Å; H162-F165 WeakPolarHBondContact O-CB 3.14Å; H162-F165 PolarHBondContact O-N 2.76Å; M163-F165 VanDerWaalsContact C-N 3.35Å; M163-F165 PolarHBondContact O-N 3.29Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.86Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3Å; F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CB 3.49Å; F165-L169 PolarHBondContact O-N 3.46Å; F165-L199 HydrophobicContact CD2-CD1 4.27Å; F165-L199 HydrophobicContact CE2-CD1 4.24Å; F165-S202 WeakPolarHBondContact CD2-OG 2.88Å; F165-V203 HydrophobicContact CD2-CG2 4.35Å; F165-V203 HydrophobicContact CE2-CG2 3.81Å; F165-L215 HydrophobicContact CD1-CD1 3.71Å; F165-L215 HydrophobicContact CE1-CD1 3.79Å; F165-L218 HydrophobicContact CE1-CB 3.91Å; F165-L218 HydrophobicContact CE1-CD1 4.35Å; F165-L218 HydrophobicContact CZ-CB 4.05Å; F165-L219 HydrophobicContact CE2-CD2 4.25Å; F165-A222 HydrophobicContact CE2-CB 3.58Å; F165-A222 HydrophobicContact CZ-CB 3.61Å
166L80.4Confident71.4Confident81 Ų8169.4 Ų69.442%0.42436%0.358SS..Hα-helixtrans-66.6-37.7178.8-69.6175.3000111.6H162 M163 L169 C170 L218H162-L166 WeakPolarHBondContact O-CG 3.26Å; H162-L166 PolarHBondContact O-N 3.47Å; M163-L166 PolarHBondContact O-N 2.66Å; L166-L169 PolarHBondContact O-N 3.12Å; L166-C170 WeakPolarHBondContact O-CB 3.39Å; L166-C170 PolarHBondContact O-N 3.3Å; L166-C170 PolarHBondContact O-SG 2.88Å; L166-L218 HydrophobicContact CD2-CD1 4.02Å
167Q81.9Confident71.7Confident143 Ų14369.4 Ų69.467%0.66837%0.369SS*.Hα-helixtrans-64.9-45.9176.6-173.8179.17.800111.9M163 R164 F165 C170 S171M163-Q167 VanDerWaalsContact O-CB 3.3Å; M163-Q167 WeakPolarHBondContact O-CB 3.43Å; M163-Q167 PolarHBondContact O-N 3.27Å; R164-Q167 PolarHBondContact O-N 2.76Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.86Å; Q167-C170 PolarHBondContact O-N 3.17Å; Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 PolarHBondContact O-OG 2.9Å
168S78.9Confident71.4Confident11 Ų1165.8 Ų65.88%0.07735%0.354CS..Hα-helixtrans-67.9-36.6177.362.30000112R164 F165 S171 V172 L199 S202R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.19Å; R164-S168 PolarHBondContact O-OG 2.9Å; R164-S168 VanDerWaalsContact O-OG 3.07Å; F165-S168 PolarHBondContact O-N 3.03Å; F165-S168 PolarHBondContact O-OG 3Å; S168-S171 WeakPolarHBondContact CA-OG 3.2Å; S168-S171 PolarHBondContact O-N 3.24Å; S168-S171 PolarHBondContact O-OG 3.35Å; S168-V172 VanDerWaalsContact O-CG2 3.32Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 3.18Å; S168-L199 VanDerWaalsContact OG-CD1 3.29Å; S168-L199 WeakPolarHBondContact OG-CD1 3.2Å; S168-S202 PolarHBondContact OG-OG 2.92Å
169L79.3Confident71Confident8 Ų868.5 Ų68.54%0.04237%0.369CS..Hα-helixtrans-62.8-46.2174.3-179.758000111.2F165 L166 S171 V172 Q173 L199 A222 A225F165-L169 HydrophobicContact CE1-CD2 4.31Å; F165-L169 HydrophobicContact CZ-CD2 4.42Å; F165-L169 VanDerWaalsContact O-CB 3.25Å; F165-L169 WeakPolarHBondContact O-CB 3.49Å; F165-L169 PolarHBondContact O-N 3.46Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 3.41Å; L169-V172 PolarHBondContact O-N 3.03Å; L169-Q173 HydrophobicContact CD1-CG 4.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.2Å; L169-Q173 VanDerWaalsContact O-CG 3.3Å; L169-Q173 WeakPolarHBondContact O-CG 3.42Å; L169-Q173 PolarHBondContact O-N 3.47Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CD1-CD2 4.42Å; L169-A222 HydrophobicContact CD1-CB 3.83Å; L169-A225 HydrophobicContact CD1-CB 4.09Å
170C80.2Confident70.1Confident62 Ų6271 Ų7142%0.41939%0.387SS..Hα-helixtrans-64.1-37.9177.9-69.80000112.1L166 Q167 R174L166-C170 WeakPolarHBondContact O-CB 3.39Å; L166-C170 PolarHBondContact O-N 3.3Å; L166-C170 PolarHBondContact O-SG 2.88Å; Q167-C170 PolarHBondContact O-N 3.17Å; C170-R174 VanDerWaalsContact O-CG 3.26Å; C170-R174 WeakPolarHBondContact O-CG 3.29Å; C170-R174 PolarHBondContact O-N 3.33Å
171S76.9Confident69Low38 Ų3870.7 Ų70.727%0.26639%0.394SS..Hα-helixtrans-68.5-42178.163.60000112Q167 S168 L169 R174 L175Q167-S171 PolarHBondContact O-N 2.96Å; Q167-S171 PolarHBondContact O-OG 2.9Å; S168-S171 WeakPolarHBondContact CA-OG 3.2Å; S168-S171 PolarHBondContact O-N 3.24Å; S168-S171 PolarHBondContact O-OG 3.35Å; L169-S171 VanDerWaalsContact C-N 3.34Å; L169-S171 PolarHBondContact O-N 3.41Å; S171-R174 PolarHBondContact O-N 2.9Å; S171-L175 PolarHBondContact O-N 3.06Å
172V76.6Confident68Low1 Ų171.3 Ų71.31%0.00640%0.395CS..Hα-helixtrans-67.1-38.4176.7175.60000112S168 L169 R174 L175 D176 V196 L199 A225 A229S168-V172 VanDerWaalsContact O-CG2 3.32Å; S168-V172 WeakPolarHBondContact O-CG2 3.24Å; S168-V172 PolarHBondContact O-N 3.18Å; L169-V172 PolarHBondContact O-N 3.03Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 2.88Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.17Å; V172-D176 PolarHBondContact O-N 2.93Å; V172-V196 HydrophobicContact CG2-CG2 4.19Å; V172-L199 HydrophobicContact CB-CD2 3.93Å; V172-L199 HydrophobicContact CG1-CD2 4.07Å; V172-L199 HydrophobicContact CG2-CB 4.22Å; V172-L199 HydrophobicContact CG2-CD2 3.8Å; V172-A225 HydrophobicContact CG1-CB 4.04Å; V172-A229 HydrophobicContact CG1-CB 3.88Å
173Q79.1Confident66.6Low80 Ų8073.5 Ų73.537%0.37442%0.417SS..Hα-helixtrans-66.4-30.3175.5-73.91788.600113.2L169 L175 A225L169-Q173 HydrophobicContact CD1-CG 4.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.2Å; L169-Q173 VanDerWaalsContact O-CG 3.3Å; L169-Q173 WeakPolarHBondContact O-CG 3.42Å; L169-Q173 PolarHBondContact O-N 3.47Å; Q173-L175 VanDerWaalsContact C-N 3.32Å; Q173-A225 HydrophobicContact CG-CB 4.23Å
174R74.8Confident65.1Low196 Ų19673.5 Ų73.574%0.7443%0.426SS*.Hα-helixtrans-71.4-27.3173.8-71.6171.2-176-1601.7112.6C170 S171 V172 G177 S178C170-R174 VanDerWaalsContact O-CG 3.26Å; C170-R174 WeakPolarHBondContact O-CG 3.29Å; C170-R174 PolarHBondContact O-N 3.33Å; S171-R174 PolarHBondContact O-N 2.9Å; V172-R174 VanDerWaalsContact C-N 3.3Å; V172-R174 PolarHBondContact O-N 2.88Å; R174-G177 PolarHBondContact O-N 3.09Å; R174-S178 PolarHBondContact O-N 3.45Å
175L66.1Low63.4Low30 Ų3075.3 Ų75.316%0.15744%0.441CS..Hα-helixtrans-71.2-36.4174.9-74.5157.3000112S171 V172 Q173 G177 S178 A181 L182 A192 T195S171-L175 PolarHBondContact O-N 3.06Å; V172-L175 WeakPolarHBondContact O-CB 3.19Å; V172-L175 PolarHBondContact O-N 3.37Å; V172-L175 VanDerWaalsContact O-N 3.17Å; Q173-L175 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 2.87Å; L175-S178 PolarHBondContact O-N 2.86Å; L175-A181 HydrophobicContact CD2-CB 4.44Å; L175-L182 HydrophobicContact CD2-CD2 4.4Å; L175-A192 HydrophobicContact CD1-CB 4.16Å; L175-A192 HydrophobicContact CD2-CB 3.97Å; L175-T195 WeakPolarHBondContact CD1-OG1 3.29Å
176D57.1Low61.6Low72 Ų7278.7 Ų78.739%0.38548%0.476SS..Hα-helixtrans-61.1-28.9175.1-159.317.1000111.9V172 R228V172-D176 PolarHBondContact O-N 2.93Å; D176-R228 VanDerWaalsContact OD2-CD 3.31Å; D176-R228 WeakPolarHBondContact OD2-CD 3.48Å; D176-R228 IonicContact OD2-NH1 2.83Å; D176-R228 PolarHBondContact OD2-NH1 3.42Å; D176-R228 VanDerWaalsContact OD2-NH1 3.1Å
177G54.4Low59.7Low73 Ų7384.4 Ų84.475%0.75350%0.5SS*.THydrogen-bonded Turntrans-93.3-10.7-179.300000116.2R174 L175R174-G177 PolarHBondContact O-N 3.09Å; L175-G177 PolarHBondContact O-N 2.87Å
178S49.7Very low57.8Low49 Ų4980.7 Ų80.734%0.34350%0.5SS..  trans-122.389.5-174.9-176.60000110.6R174 L175 V180 A181R174-S178 PolarHBondContact O-N 3.45Å; L175-S178 PolarHBondContact O-N 2.86Å; S178-V180 PolarHBondContact O-N 3.44Å; S178-A181 PolarHBondContact O-N 3.17Å
179S49.3Very low56.6Low115 Ų11583.7 Ų83.780%0.80453%0.534SS*.THydrogen-bonded Turntrans-64.3-7.3177.486.60000113.6
180V45.9Very low56Low119 Ų11986 Ų8672%0.72155%0.551SS**THydrogen-bonded Turntrans-93.2-22.4-173.7-179.30000112.4S178 L182S178-V180 PolarHBondContact O-N 3.44Å; V180-L182 PolarHBondContact O-N 2.97Å
181A47.6Very low55.5Low61 Ų6186.8 Ų86.850%0.50456%0.561SS.*THydrogen-bonded Turntrans-79.8-0.1-177.300000114.6L175 S178L175-A181 HydrophobicContact CD2-CB 4.44Å; S178-A181 PolarHBondContact O-N 3.17Å
182L46.9Very low55.3Low56 Ų5685.4 Ų85.429%0.29355%0.552SS.*THydrogen-bonded Turntrans-104.912.3-177.6-65.4174.2000113.3L175 V180 A192 L232 L233L175-L182 HydrophobicContact CD2-CD2 4.4Å; V180-L182 PolarHBondContact O-N 2.97Å; L182-A192 HydrophobicContact CD2-CB 3.59Å; L182-L232 HydrophobicContact CD1-CB 4.03Å; L182-L232 HydrophobicContact CD1-CD1 4.28Å; L182-L233 HydrophobicContact CD2-CD2 4.08Å
183A42.1Very low55.4Low69 Ų6986.1 Ų86.157%0.5756%0.557SS**  trans-59.9135.3173.100000110.4E185A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 2.99Å
184P44.9Very low55.6Low130 Ų13086.5 Ų86.584%0.84456%0.559SS**  trans-80.680-172.733.3-32.9000109.6G186P184-G186 PolarHBondContact O-N 3.36Å
185E41.4Very low56Low186 Ų18678.8 Ų78.887%0.86953%0.533SS*.  trans-70.7118.8161.2-72.2-106.3147.700107.3A183A183-E185 VanDerWaalsContact C-N 3.31Å; A183-E185 PolarHBondContact O-N 2.99Å
186G41Very low56.9Low72 Ų7277.4 Ų77.474%0.74253%0.526SS*.SBendtrans-62.2145-165.300000114.2P184P184-G186 PolarHBondContact O-N 3.36Å
187H39.2Very low58.1Low201 Ų20174.4 Ų74.493%0.93151%0.51SS*.SBendtrans75.698.4158-139.171.9000116.7
188G42.3Very low59.6Low65 Ų6575.3 Ų75.367%0.6750%0.497SS*.SBendtrans125.3131.2178.100000109.5S190G188-S190 PolarHBondContact O-N 3.35Å
189G53.9Low61.4Low75 Ų7573 Ų7377%0.77348%0.481SS*.  trans-43.8118.8-175.800000111.4A191G189-A191 PolarHBondContact O-N 2.89Å
190S66Low63.1Low57 Ų5767.6 Ų67.640%0.39944%0.443SS..  trans-49.1129.7-175.4173.40000109.3G188 A192 S193 E194G188-S190 PolarHBondContact O-N 3.35Å; S190-A192 CarbonylContact O-C 3.6Å; S190-A192 PolarHBondContact O-N 3.45Å; S190-A192 PolarHBondContact OG-N 3.45Å; S190-S193 WeakPolarHBondContact O-CA 3.46Å; S190-S193 VanDerWaalsContact O-CB 3.29Å; S190-S193 WeakPolarHBondContact O-CB 3.38Å; S190-S193 PolarHBondContact O-N 3.09Å; S190-E194 PolarHBondContact O-N 2.87Å
191A70.6Confident65Low78 Ų7865.7 Ų65.765%0.64543%0.429SS*.Hα-helixtrans-50.3-30.4178.900000111.9G189 E194 T195G189-A191 PolarHBondContact O-N 2.89Å; A191-E194 PolarHBondContact O-N 3.46Å; A191-T195 WeakPolarHBondContact O-CG2 3.32Å; A191-T195 PolarHBondContact O-N 3.35Å; A191-T195 PolarHBondContact O-OG1 3.31Å
192A72.2Confident66.6Low8 Ų863.5 Ų63.57%0.06641%0.409CS..Hα-helixtrans-60.8-45.1172.200000112.9L175 L182 S190 E194 T195 V196 L233L175-A192 HydrophobicContact CD1-CB 4.16Å; L175-A192 HydrophobicContact CD2-CB 3.97Å; L182-A192 HydrophobicContact CD2-CB 3.59Å; S190-A192 CarbonylContact O-C 3.6Å; S190-A192 PolarHBondContact O-N 3.45Å; S190-A192 PolarHBondContact OG-N 3.45Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.36Å; A192-T195 WeakPolarHBondContact CA-OG1 3.27Å; A192-T195 PolarHBondContact O-N 3.09Å; A192-T195 PolarHBondContact O-OG1 3.31Å; A192-V196 WeakPolarHBondContact O-CG2 3.42Å; A192-V196 PolarHBondContact O-N 3.45Å; A192-V196 VanDerWaalsContact O-N 3.11Å; A192-L233 HydrophobicContact CB-CD2 4.15Å
193S78.4Confident68.3Low17 Ų1760.9 Ų60.912%0.11940%0.396CS..Hα-helixtrans-61.2-42.1175.1179.50000112S190 V196 F197 L242S190-S193 WeakPolarHBondContact O-CA 3.46Å; S190-S193 VanDerWaalsContact O-CB 3.29Å; S190-S193 WeakPolarHBondContact O-CB 3.38Å; S190-S193 PolarHBondContact O-N 3.09Å; S193-V196 PolarHBondContact O-N 3.2Å; S193-F197 WeakPolarHBondContact O-CD2 3.41Å; S193-F197 PolarHBondContact O-N 3.35Å; S193-F197 VanDerWaalsContact O-N 3.08Å; S193-F197 WeakPolarHBondContact OG-CE2 3.35Å; S193-L242 WeakPolarHBondContact OG-CD1 3.29Å
194E83Confident70.2Confident87 Ų8757.9 Ų57.941%0.40737%0.371SS..Hα-helixtrans-66.3-40.2179.6-166.265.5-168.100110.9S190 A191 A192 V196 F197 L198 R245S190-E194 PolarHBondContact O-N 2.87Å; A191-E194 PolarHBondContact O-N 3.46Å; A192-E194 VanDerWaalsContact C-N 3.34Å; A192-E194 PolarHBondContact O-N 3.36Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 3.42Å; E194-F197 PolarHBondContact O-N 3.07Å; E194-L198 HydrophobicContact CG-CD1 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.38Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.02Å; E194-L198 PolarHBondContact O-N 3.07Å; E194-R245 IonicContact OE2-NH1 3.3Å; E194-R245 PolarHBondContact OE2-NH1 3.45Å; E194-R245 VanDerWaalsContact OE2-NH1 3.1Å
195T84Confident71.9Confident34 Ų3454.8 Ų54.821%0.20935%0.35CS..Hα-helixtrans-63.1-35.2175.156.70000113.4L175 A191 A192 L199L175-T195 WeakPolarHBondContact CD1-OG1 3.29Å; A191-T195 WeakPolarHBondContact O-CG2 3.32Å; A191-T195 PolarHBondContact O-N 3.35Å; A191-T195 PolarHBondContact O-OG1 3.31Å; A192-T195 WeakPolarHBondContact CA-OG1 3.27Å; A192-T195 PolarHBondContact O-N 3.09Å; A192-T195 PolarHBondContact O-OG1 3.31Å; T195-L199 PolarHBondContact O-N 2.86Å
196V84.1Confident73.5Confident1 Ų146.2 Ų46.21%0.00631%0.311CS..Hα-helixtrans-68.6-42175.7172.60000111.1V172 A192 S193 E194 L199 L200 A226 A229 L230 L233V172-V196 HydrophobicContact CG2-CG2 4.19Å; A192-V196 WeakPolarHBondContact O-CG2 3.42Å; A192-V196 PolarHBondContact O-N 3.45Å; A192-V196 VanDerWaalsContact O-N 3.11Å; S193-V196 PolarHBondContact O-N 3.2Å; E194-V196 VanDerWaalsContact C-N 3.31Å; E194-V196 PolarHBondContact O-N 3.42Å; V196-L199 WeakPolarHBondContact O-CB 3.07Å; V196-L199 PolarHBondContact O-N 3.39Å; V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å; V196-A226 HydrophobicContact CG1-CB 4.38Å; V196-A229 HydrophobicContact CG2-CB 3.57Å; V196-L230 HydrophobicContact CG1-CD2 3.94Å; V196-L230 HydrophobicContact CG1-CG 3.96Å; V196-L233 HydrophobicContact CG2-CD1 4.22Å
197F83.8Confident74.9Confident10 Ų1043.9 Ų43.94%0.04428%0.283CS..Hα-helixtrans-68.7-38.9176.7-72.1-59.7000112.7S193 E194 L199 L200 D201 L242 R245 L246S193-F197 WeakPolarHBondContact O-CD2 3.41Å; S193-F197 PolarHBondContact O-N 3.35Å; S193-F197 VanDerWaalsContact O-N 3.08Å; S193-F197 WeakPolarHBondContact OG-CE2 3.35Å; E194-F197 PolarHBondContact O-N 3.07Å; F197-L199 PolarHBondContact O-N 3.2Å; F197-L200 HydrophobicContact CD1-CD1 4.13Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 PolarHBondContact O-N 2.88Å; F197-L200 VanDerWaalsContact O-N 3.11Å; F197-D201 PolarHBondContact O-N 3.35Å; F197-L242 HydrophobicContact CE2-CD1 3.56Å; F197-L242 HydrophobicContact CZ-CD1 3.62Å; F197-R245 HydrophobicContact CD1-CB 4.24Å; F197-R245 HydrophobicContact CE1-CB 3.59Å; F197-R245 HydrophobicContact CE2-CB 3.86Å; F197-R245 HydrophobicContact CZ-CB 3.38Å; F197-R245 HydrophobicContact CZ-CG 4.5Å; F197-L246 HydrophobicContact CE1-CB 4.3Å; F197-L246 HydrophobicContact CZ-CB 4.47Å
198L85.9Confident76.5Confident91 Ų9142.1 Ų42.148%0.47627%0.268SS..Hα-helixtrans-59.5-35.9171.4-72171.1000112E194 S202E194-L198 HydrophobicContact CG-CD1 4.39Å; E194-L198 WeakPolarHBondContact O-CB 3.38Å; E194-L198 VanDerWaalsContact O-CG 3.29Å; E194-L198 WeakPolarHBondContact O-CG 3.02Å; E194-L198 PolarHBondContact O-N 3.07Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.31Å; L198-S202 PolarHBondContact O-N 3.31Å; L198-S202 PolarHBondContact O-OG 3.15Å
199L85.8Confident77.6Confident0 Ų040.9 Ų40.90%025%0.251CS..Hα-helixtrans-66.1-46.4172.9-177.660.1000111.4F165 S168 L169 V172 T195 V196 F197 D201 S202 V203 A222 A226F165-L199 HydrophobicContact CD2-CD1 4.27Å; F165-L199 HydrophobicContact CE2-CD1 4.24Å; S168-L199 VanDerWaalsContact OG-CD1 3.29Å; S168-L199 WeakPolarHBondContact OG-CD1 3.2Å; L169-L199 HydrophobicContact CB-CD1 4.1Å; L169-L199 HydrophobicContact CD1-CD2 4.42Å; V172-L199 HydrophobicContact CB-CD2 3.93Å; V172-L199 HydrophobicContact CG1-CD2 4.07Å; V172-L199 HydrophobicContact CG2-CB 4.22Å; V172-L199 HydrophobicContact CG2-CD2 3.8Å; T195-L199 PolarHBondContact O-N 2.86Å; V196-L199 WeakPolarHBondContact O-CB 3.07Å; V196-L199 PolarHBondContact O-N 3.39Å; F197-L199 PolarHBondContact O-N 3.2Å; L199-D201 PolarHBondContact O-N 3.14Å; L199-S202 WeakPolarHBondContact CA-OG 3.26Å; L199-S202 PolarHBondContact O-N 2.75Å; L199-S202 PolarHBondContact O-OG 3.38Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.03Å; L199-A222 HydrophobicContact CD1-CB 4.01Å; L199-A222 HydrophobicContact CD2-CB 4.49Å; L199-A222 HydrophobicContact CG-CB 4.49Å; L199-A226 HydrophobicContact CD2-CB 4.12Å
200L85.8Confident77.7Confident3 Ų343.4 Ų43.42%0.01625%0.254CS..Hα-helixtrans-62.5-41.3177.5-68.1176.1000112.6V196 F197 S202 V203 A204 A226 L246 A249 L277V196-L200 WeakPolarHBondContact O-CG 3.47Å; V196-L200 PolarHBondContact O-N 3.47Å; F197-L200 HydrophobicContact CD1-CD1 4.13Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 PolarHBondContact O-N 2.88Å; F197-L200 VanDerWaalsContact O-N 3.11Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-V203 WeakPolarHBondContact O-CB 3.3Å; L200-V203 PolarHBondContact O-N 3.14Å; L200-A204 PolarHBondContact O-N 3.31Å; L200-A226 HydrophobicContact CD2-CB 4.1Å; L200-L246 HydrophobicContact CD1-CD1 4.31Å; L200-A249 HydrophobicContact CB-CB 4.49Å; L200-A249 HydrophobicContact CD1-CB 4.16Å; L200-L277 HydrophobicContact CD2-CD1 3.93Å; L200-L277 HydrophobicContact CD2-CD2 3.9Å
201D85.3Confident77.5Confident79 Ų7942.6 Ų42.642%0.42225%0.245SC..Hα-helixtrans-63.9-41.6174.4-73.1-19000110.8F197 L199 V203 A204 V205F197-D201 PolarHBondContact O-N 3.35Å; L199-D201 PolarHBondContact O-N 3.14Å; D201-V203 VanDerWaalsContact C-N 3.35Å; D201-V203 PolarHBondContact O-N 3.26Å; D201-A204 WeakPolarHBondContact O-CB 3.25Å; D201-A204 PolarHBondContact O-N 2.82Å; D201-A204 VanDerWaalsContact O-N 3.16Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.45Å
202S82.3Confident77.1Confident14 Ų1442.8 Ų42.810%0.09824%0.235CC..Hα-helixtrans-66.3-35.1176.672.50000112.9F165 S168 L198 L199 L200 V205 A206F165-S202 WeakPolarHBondContact CD2-OG 2.88Å; S168-S202 PolarHBondContact OG-OG 2.92Å; L198-S202 VanDerWaalsContact O-CB 3.27Å; L198-S202 WeakPolarHBondContact O-CB 3.31Å; L198-S202 PolarHBondContact O-N 3.31Å; L198-S202 PolarHBondContact O-OG 3.15Å; L199-S202 WeakPolarHBondContact CA-OG 3.26Å; L199-S202 PolarHBondContact O-N 2.75Å; L199-S202 PolarHBondContact O-OG 3.38Å; L200-S202 VanDerWaalsContact C-N 3.34Å; S202-V205 PolarHBondContact O-N 3.35Å; S202-A206 VanDerWaalsContact O-CB 3.27Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.3Å
203V82.5Confident76.3Confident1 Ų148.6 Ų48.61%0.00627%0.272CS..Hα-helixtrans-62.9-44.7170165.80000110F165 L199 L200 D201 V205 A206 C207 L219 A222 L253F165-V203 HydrophobicContact CD2-CG2 4.35Å; F165-V203 HydrophobicContact CE2-CG2 3.81Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.03Å; L200-V203 WeakPolarHBondContact O-CB 3.3Å; L200-V203 PolarHBondContact O-N 3.14Å; D201-V203 VanDerWaalsContact C-N 3.35Å; D201-V203 PolarHBondContact O-N 3.26Å; V203-V205 PolarHBondContact O-N 2.92Å; V203-A206 PolarHBondContact O-N 2.98Å; V203-C207 WeakPolarHBondContact O-CB 3.08Å; V203-C207 PolarHBondContact O-N 2.97Å; V203-C207 PolarHBondContact O-SG 3.02Å; V203-L219 HydrophobicContact CB-CD2 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.09Å; V203-L219 HydrophobicContact CG2-CD2 4.29Å; V203-A222 HydrophobicContact CG2-CB 4.05Å; V203-L253 HydrophobicContact CG1-CD2 4.27Å
204A81.3Confident75.5Confident6 Ų649.6 Ų49.65%0.0529%0.285CS..Hα-helixtrans-64-40.8179.400000112.5L200 D201 C207 R208 L253 M256L200-A204 PolarHBondContact O-N 3.31Å; D201-A204 WeakPolarHBondContact O-CB 3.25Å; D201-A204 PolarHBondContact O-N 2.82Å; D201-A204 VanDerWaalsContact O-N 3.16Å; A204-C207 PolarHBondContact O-N 2.95Å; A204-R208 WeakPolarHBondContact O-CG 3.43Å; A204-R208 PolarHBondContact O-N 3.07Å; A204-L253 HydrophobicContact CB-CD2 3.9Å; A204-M256 HydrophobicContact CB-CE 3.77Å
205V80.9Confident74.7Confident65 Ų6546.1 Ų46.139%0.39427%0.269SS..Hα-helixtrans-66.5-43.6175.2173.50000111.2P161 D201 S202 V203 C207 R208 A209P161-V205 HydrophobicContact CB-CG1 3.87Å; P161-V205 HydrophobicContact CG-CG1 4.35Å; D201-V205 WeakPolarHBondContact O-CG2 3.38Å; D201-V205 PolarHBondContact O-N 3.45Å; S202-V205 PolarHBondContact O-N 3.35Å; V203-V205 PolarHBondContact O-N 2.92Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.37Å; V205-R208 PolarHBondContact O-N 3.43Å; V205-A209 PolarHBondContact O-N 2.78Å
206A74.9Confident73.9Confident7 Ų744.8 Ų44.86%0.05826%0.261CS..Hα-helixtrans-60.4-38.9176.900000111.9S202 V203 R208 A209 L211 L215 L219S202-A206 VanDerWaalsContact O-CB 3.27Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.3Å; V203-A206 PolarHBondContact O-N 2.98Å; A206-R208 PolarHBondContact O-N 2.85Å; A206-A209 PolarHBondContact O-N 3.36Å; A206-L211 HydrophobicContact CB-CD2 4.31Å; A206-L211 WeakPolarHBondContact O-CD2 3.17Å; A206-L215 HydrophobicContact CB-CD2 4.02Å; A206-L219 HydrophobicContact CB-CD2 3.85Å
207C71.7Confident73.5Confident22 Ų2248.3 Ų48.315%0.14928%0.28CS..Hα-helixtrans-66.9-18175.8-68.60000114.2V203 A204 V205 M256V203-C207 WeakPolarHBondContact O-CB 3.08Å; V203-C207 PolarHBondContact O-N 2.97Å; V203-C207 PolarHBondContact O-SG 3.02Å; A204-C207 PolarHBondContact O-N 2.95Å; V205-C207 VanDerWaalsContact C-N 3.29Å; V205-C207 PolarHBondContact O-N 3.37Å; C207-M256 HydrophobicContact CB-CE 4.47Å
208R71.8Confident73.3Confident165 Ų16550.2 Ų50.262%0.62329%0.29SS*.Hα-helixtrans-94.3-22.9179.2-70.1177.8179.9155.47.2113.8A204 V205 A206 M256A204-R208 WeakPolarHBondContact O-CG 3.43Å; A204-R208 PolarHBondContact O-N 3.07Å; V205-R208 PolarHBondContact O-N 3.43Å; A206-R208 PolarHBondContact O-N 2.85Å; R208-M256 HydrophobicContact CG-SD 3.58Å; R208-M256 VanDerWaalsContact CG-SD 3.58Å; R208-M256 PolarHBondContact NE-SD 2.83Å
209A64.5Low73.2Confident39 Ų3945.9 Ų45.932%0.32227%0.267SS..SBendtrans-92.7156.7-175.500000112.4V205 A206 L211V205-A209 PolarHBondContact O-N 2.78Å; A206-A209 PolarHBondContact O-N 3.36Å; A209-L211 PolarHBondContact O-N 3.13Å
210P57.2Low73.1Confident127 Ų12746.5 Ų46.583%0.82527%0.271SS*.  trans-63.2106.1168.224.9-30.7000109.3
211L62.5Low73Confident41 Ų4150.7 Ų50.722%0.21529%0.291CS..PPolyproline II helixtrans-67.3130.1-171.2-69.8159.2000111.6A206 A209 L215 P216 L219 A266A206-L211 HydrophobicContact CB-CD2 4.31Å; A206-L211 WeakPolarHBondContact O-CD2 3.17Å; A209-L211 PolarHBondContact O-N 3.13Å; L211-L215 HydrophobicContact CD2-CB 4.43Å; L211-L215 HydrophobicContact CD2-CD2 3.58Å; L211-L215 HydrophobicContact CD2-CG 4.33Å; L211-P216 HydrophobicContact CB-CG 3.86Å; L211-P216 HydrophobicContact CD1-CB 4.19Å; L211-P216 HydrophobicContact CD1-CG 3.89Å; L211-P216 HydrophobicContact CG-CG 4.32Å; L211-L219 HydrophobicContact CD2-CD1 4.46Å; L211-A266 HydrophobicContact CD1-CB 4.08Å
212L60.6Low72.9Confident81 Ų8146.9 Ų46.942%0.42427%0.271SS..PPolyproline II helixtrans-61.9149.8167.2-87.990.5000110.9H162 G214 L215 P216H162-L212 WeakPolarHBondContact NE2-CD1 3.4Å; L212-G214 PolarHBondContact O-N 3.46Å; L212-L215 PolarHBondContact O-N 2.94Å; L212-P216 VanDerWaalsContact O-CD 3.29Å; L212-P216 WeakPolarHBondContact O-CD 3.49Å
213P56.1Low73.1Confident130 Ų13046.3 Ų46.384%0.84427%0.267SS*.THydrogen-bonded Turntrans-53.1127.2173.2-22.932.4000111.5
214G60.9Low73.4Confident38 Ų3851.4 Ų51.439%0.39229%0.286SS..THydrogen-bonded Turntrans95.8-28.6178.200000116L212 D217L212-G214 PolarHBondContact O-N 3.46Å; G214-D217 PolarHBondContact O-N 3.27Å
215L66.4Low73.5Confident14 Ų1451.6 Ų51.67%0.07329%0.287CS..Hα-helixtrans-60.5-38.6173.9-163.778.3000114.3H162 F165 A206 L211 L212 D217 L218 L219H162-L215 WeakPolarHBondContact CD2-CD2 3.4Å; H162-L215 WeakPolarHBondContact NE2-CD2 3.33Å; F165-L215 HydrophobicContact CD1-CD1 3.71Å; F165-L215 HydrophobicContact CE1-CD1 3.79Å; A206-L215 HydrophobicContact CB-CD2 4.02Å; L211-L215 HydrophobicContact CD2-CB 4.43Å; L211-L215 HydrophobicContact CD2-CD2 3.58Å; L211-L215 HydrophobicContact CD2-CG 4.33Å; L212-L215 PolarHBondContact O-N 2.94Å; L215-D217 PolarHBondContact O-N 3.24Å; L215-D217 VanDerWaalsContact O-N 3.14Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.01Å; L215-L219 PolarHBondContact O-N 3.13Å
216P68.8Low73.8Confident6 Ų648.5 Ų48.54%0.03927%0.269CS..Hα-helixtrans-59.6-27.7179.7-17.324.8000113.3L211 L212 L218 P220 K269L211-P216 HydrophobicContact CB-CG 3.86Å; L211-P216 HydrophobicContact CD1-CB 4.19Å; L211-P216 HydrophobicContact CD1-CG 3.89Å; L211-P216 HydrophobicContact CG-CG 4.32Å; L212-P216 VanDerWaalsContact O-CD 3.29Å; L212-P216 WeakPolarHBondContact O-CD 3.49Å; P216-L218 VanDerWaalsContact C-N 3.34Å; P216-P220 WeakPolarHBondContact O-CD 3.35Å; P216-K269 HydrophobicContact CB-CB 4.47Å; P216-K269 HydrophobicContact CB-CG 3.81Å; P216-K269 WeakPolarHBondContact O-CD 3.37Å
217D75.3Confident74.3Confident75 Ų7548.3 Ų48.340%0.40127%0.266SS..Hα-helixtrans-80.7-18.3-179.4-60.2-48.4000112.3G214 L215 R265 K269G214-D217 PolarHBondContact O-N 3.27Å; L215-D217 PolarHBondContact O-N 3.24Å; L215-D217 VanDerWaalsContact O-N 3.14Å; D217-R265 IonicContact OD2-NH2 3.22Å; D217-R265 PolarHBondContact OD2-NH2 3.5Å; D217-K269 WeakPolarHBondContact OD1-CE 3.44Å; D217-K269 IonicContact OD1-NZ 3.52Å; D217-K269 PolarHBondContact OD1-NZ 3.16Å
218L79.4Confident74.9Confident51 Ų5153.2 Ų53.227%0.26728%0.282SS..Hα-helixtrans-83.6-18.8173.6-63.7174.9000113F165 L166 L215 P216 Q221 A222F165-L218 HydrophobicContact CE1-CB 3.91Å; F165-L218 HydrophobicContact CE1-CD1 4.35Å; F165-L218 HydrophobicContact CZ-CB 4.05Å; L166-L218 HydrophobicContact CD2-CD1 4.02Å; L215-L218 HydrophobicContact CD1-CD1 4.46Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 PolarHBondContact O-N 3.01Å; P216-L218 VanDerWaalsContact C-N 3.34Å; L218-Q221 PolarHBondContact O-N 2.99Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.04Å
219L83.2Confident75.4Confident0 Ų045.8 Ų45.80%026%0.256CS..Hα-helixtrans-60.3-49-179.2-68.5168.3000112.9F165 V203 A206 L211 L215 Q221 A222 S223 K269F165-L219 HydrophobicContact CE2-CD2 4.25Å; V203-L219 HydrophobicContact CB-CD2 4.38Å; V203-L219 HydrophobicContact CG1-CD2 4.09Å; V203-L219 HydrophobicContact CG2-CD2 4.29Å; A206-L219 HydrophobicContact CB-CD2 3.85Å; L211-L219 HydrophobicContact CD2-CD1 4.46Å; L215-L219 PolarHBondContact O-N 3.13Å; L219-Q221 VanDerWaalsContact C-N 3.26Å; L219-Q221 PolarHBondContact O-N 3.32Å; L219-A222 PolarHBondContact O-N 3.1Å; L219-S223 PolarHBondContact O-N 3.31Å; L219-S223 PolarHBondContact O-OG 2.78Å; L219-K269 HydrophobicContact CD1-CB 4.33Å
220P83.1Confident76.3Confident13 Ų1344 Ų448%0.08424%0.24CC..Hα-helixtrans-68.1-26.2176.8-18.733.7000113P216 S223 R224 E272P216-P220 WeakPolarHBondContact O-CD 3.35Å; P220-S223 WeakPolarHBondContact CA-OG 3.31Å; P220-S223 PolarHBondContact O-OG 3.1Å; P220-S223 VanDerWaalsContact O-OG 3.14Å; P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 2.93Å; P220-R224 VanDerWaalsContact O-N 3.13Å; P220-E272 HydrophobicContact CB-CB 4.31Å; P220-E272 HydrophobicContact CG-CB 3.88Å
221Q84.5Confident77.6Confident90 Ų9040.4 Ų40.442%0.42121%0.214SC..Hα-helixtrans-72.6-42.2174.7-176.5177.3-9.300111.1L218 L219 R224 A225L218-Q221 PolarHBondContact O-N 2.99Å; L219-Q221 VanDerWaalsContact C-N 3.26Å; L219-Q221 PolarHBondContact O-N 3.32Å; Q221-R224 PolarHBondContact O-N 2.57Å; Q221-A225 PolarHBondContact O-N 2.96Å
222A84.1Confident78.4Confident0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-63.2-43.917500000112.1F165 L169 L199 V203 L218 L219 R224 A225 A226F165-A222 HydrophobicContact CE2-CB 3.58Å; F165-A222 HydrophobicContact CZ-CB 3.61Å; L169-A222 HydrophobicContact CD1-CB 3.83Å; L199-A222 HydrophobicContact CD1-CB 4.01Å; L199-A222 HydrophobicContact CD2-CB 4.49Å; L199-A222 HydrophobicContact CG-CB 4.49Å; V203-A222 HydrophobicContact CG2-CB 4.05Å; L218-A222 WeakPolarHBondContact O-CB 3.26Å; L218-A222 PolarHBondContact O-N 3.04Å; L219-A222 PolarHBondContact O-N 3.1Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.31Å; A222-A225 PolarHBondContact O-N 3.4Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 3.23Å
223S86.3Confident79.1Confident2 Ų240.3 Ų40.31%0.01421%0.214CC..Hα-helixtrans-67.3-30.3176.668.30000112.8L219 P220 A226 S227 S273 A276L219-S223 PolarHBondContact O-N 3.31Å; L219-S223 PolarHBondContact O-OG 2.78Å; P220-S223 WeakPolarHBondContact CA-OG 3.31Å; P220-S223 PolarHBondContact O-OG 3.1Å; P220-S223 VanDerWaalsContact O-OG 3.14Å; S223-A226 PolarHBondContact O-N 3.45Å; S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 2.95Å; S223-S273 VanDerWaalsContact CB-O 3.29Å; S223-S273 WeakPolarHBondContact CB-O 3.46Å; S223-S273 WeakPolarHBondContact OG-CA 3.29Å; S223-S273 PolarHBondContact OG-O 3.45Å; S223-A276 WeakPolarHBondContact OG-CB 3.33Å
224R87.8Confident80Confident108 Ų10834.8 Ų34.841%0.40818%0.178SC..Hα-helixtrans-70.1-38.2171.7-166.9176.5-62.8109.42.4112.8P220 Q221 A222 S227 R228 A276P220-R224 WeakPolarHBondContact O-CB 3.42Å; P220-R224 PolarHBondContact O-N 2.93Å; P220-R224 VanDerWaalsContact O-N 3.13Å; Q221-R224 PolarHBondContact O-N 2.57Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.31Å; R224-S227 WeakPolarHBondContact CA-OG 3.33Å; R224-S227 PolarHBondContact O-N 3.29Å; R224-S227 PolarHBondContact O-OG 3.48Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.31Å; R224-A276 HydrophobicContact CB-CB 4.33Å
225A84.6Confident80.2Confident10 Ų1038.2 Ų38.28%0.08320%0.195CC..Hα-helixtrans-65.3-42.2173.100000110.8L169 V172 Q173 Q221 A222 A229L169-A225 HydrophobicContact CD1-CB 4.09Å; V172-A225 HydrophobicContact CG1-CB 4.04Å; Q173-A225 HydrophobicContact CG-CB 4.23Å; Q221-A225 PolarHBondContact O-N 2.96Å; A222-A225 PolarHBondContact O-N 3.4Å; A225-A229 PolarHBondContact O-N 2.89Å; A225-A229 VanDerWaalsContact O-N 3.08Å
226A85.9Confident80.2Confident0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-62.2-43.4174.400000112.2V196 L199 L200 A222 S223 A229 L230 L277V196-A226 HydrophobicContact CG1-CB 4.38Å; L199-A226 HydrophobicContact CD2-CB 4.12Å; L200-A226 HydrophobicContact CD2-CB 4.1Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 3.23Å; S223-A226 PolarHBondContact O-N 3.45Å; A226-A229 PolarHBondContact O-N 3.5Å; A226-L230 WeakPolarHBondContact O-CB 3.29Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.37Å; A226-L230 PolarHBondContact O-N 3.44Å; A226-L277 HydrophobicContact CB-CD1 4.21Å
227S86.1Confident80.1Confident2 Ų251.9 Ų51.91%0.01426%0.263CS..Hα-helixtrans-64.6-41.4179.759.70000112.7S223 R224 L230 D231 A276 L277S223-S227 PolarHBondContact O-N 3.26Å; S223-S227 PolarHBondContact O-OG 2.95Å; R224-S227 WeakPolarHBondContact CA-OG 3.33Å; R224-S227 PolarHBondContact O-N 3.29Å; R224-S227 PolarHBondContact O-OG 3.48Å; S227-L230 WeakPolarHBondContact O-CB 3.49Å; S227-L230 PolarHBondContact O-N 2.83Å; S227-D231 PolarHBondContact O-N 3.35Å; S227-A276 WeakPolarHBondContact CB-O 3.3Å; S227-A276 PolarHBondContact OG-O 3.4Å; S227-A276 VanDerWaalsContact OG-O 3.04Å; S227-L277 WeakPolarHBondContact CB-O 3.44Å
228R84.3Confident79.8Confident126 Ų12649.7 Ų49.748%0.47525%0.253SS..Hα-helixtrans-61.4-44.9173.7-69.1175.6-176.4-170.2-1.4112.6D176 R224 L230 D231 L232D176-R228 VanDerWaalsContact OD2-CD 3.31Å; D176-R228 WeakPolarHBondContact OD2-CD 3.48Å; D176-R228 IonicContact OD2-NH1 2.83Å; D176-R228 PolarHBondContact OD2-NH1 3.42Å; D176-R228 VanDerWaalsContact OD2-NH1 3.1Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.31Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3.13Å; R228-D231 PolarHBondContact O-N 3.33Å; R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.39Å; R228-L232 VanDerWaalsContact O-N 3.08Å
229A81.6Confident79.8Confident8 Ų850.4 Ų50.47%0.06626%0.262CS..Hα-helixtrans-64.4-38.1176.600000111.8V172 V196 A225 A226 L232 L233V172-A229 HydrophobicContact CG1-CB 3.88Å; V196-A229 HydrophobicContact CG2-CB 3.57Å; A225-A229 PolarHBondContact O-N 2.89Å; A225-A229 VanDerWaalsContact O-N 3.08Å; A226-A229 PolarHBondContact O-N 3.5Å; A229-L232 PolarHBondContact O-N 2.98Å; A229-L233 WeakPolarHBondContact O-CB 3.36Å; A229-L233 VanDerWaalsContact O-CG 3.25Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.37Å
230L84.3Confident79.6Confident1 Ų157 Ų571%0.00530%0.297CS..Hα-helixtrans-63.2-40.4173.4-74.1170.6000111.8V196 A226 S227 R228 L232 L233 C234 L246 L277V196-L230 HydrophobicContact CG1-CD2 3.94Å; V196-L230 HydrophobicContact CG1-CG 3.96Å; A226-L230 WeakPolarHBondContact O-CB 3.29Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.37Å; A226-L230 PolarHBondContact O-N 3.44Å; S227-L230 WeakPolarHBondContact O-CB 3.49Å; S227-L230 PolarHBondContact O-N 2.83Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3.13Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.31Å; L230-L233 PolarHBondContact O-N 3.21Å; L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 3.14Å; L230-C234 PolarHBondContact O-SG 3.41Å; L230-L246 HydrophobicContact CD1-CD1 3.65Å; L230-L246 HydrophobicContact CD1-CD2 4.34Å; L230-L246 HydrophobicContact CD2-CD1 4.35Å; L230-L246 HydrophobicContact CD2-CD2 4.42Å; L230-L277 HydrophobicContact CD1-CD1 4.12Å
231D83.7Confident79.6Confident52 Ų5261.6 Ų61.628%0.27832%0.32SS..Hα-helixtrans-60.5-45.2175-76.1-36000111.2S227 R228 L233 C234 C235 S280 S281S227-D231 PolarHBondContact O-N 3.35Å; R228-D231 PolarHBondContact O-N 3.33Å; D231-L233 PolarHBondContact O-N 2.97Å; D231-C234 CarbonylContact O-C 3.38Å; D231-C234 PolarHBondContact O-N 2.93Å; D231-C234 VanDerWaalsContact O-N 3.13Å; D231-C235 PolarHBondContact O-N 2.68Å; D231-C235 PolarHBondContact O-SG 2.87Å; D231-S280 VanDerWaalsContact CG-CB 3.41Å; D231-S280 WeakPolarHBondContact OD1-CA 2.96Å; D231-S280 WeakPolarHBondContact OD1-CB 3.22Å; D231-S280 PolarHBondContact OD1-OG 3.09Å; D231-S280 WeakPolarHBondContact OD2-CA 3.5Å; D231-S280 WeakPolarHBondContact OD2-CB 3.48Å; D231-S281 PolarHBondContact OD1-N 3.09Å
232L80.3Confident79.4Confident78 Ų7858 Ų5841%0.40830%0.304SS..Hα-helixtrans-61.4-43.5176-66.2174.6000112.5L182 R228 A229 L230 C234L182-L232 HydrophobicContact CD1-CB 4.03Å; L182-L232 HydrophobicContact CD1-CD1 4.28Å; R228-L232 WeakPolarHBondContact O-CG 3.4Å; R228-L232 PolarHBondContact O-N 3.39Å; R228-L232 VanDerWaalsContact O-N 3.08Å; A229-L232 PolarHBondContact O-N 2.98Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.31Å; L232-C234 PolarHBondContact O-N 2.83Å
233L75.5Confident79.3Confident43 Ų4360.5 Ų60.523%0.22531%0.313CS..Hα-helixtrans-68.9-23.8176.3-67.6171.5000112.8L182 A192 V196 A229 L230 D231 L242L182-L233 HydrophobicContact CD2-CD2 4.08Å; A192-L233 HydrophobicContact CB-CD2 4.15Å; V196-L233 HydrophobicContact CG2-CD1 4.22Å; A229-L233 WeakPolarHBondContact O-CB 3.36Å; A229-L233 VanDerWaalsContact O-CG 3.25Å; A229-L233 WeakPolarHBondContact O-CG 3.42Å; A229-L233 PolarHBondContact O-N 3.37Å; L230-L233 PolarHBondContact O-N 3.21Å; D231-L233 PolarHBondContact O-N 2.97Å; L233-L242 HydrophobicContact CB-CD2 4.41Å
234C73.3Confident79.3Confident14 Ų1469.5 Ų69.510%0.09535%0.347CS..THydrogen-bonded Turntrans-107.111.3-176.5-61.30000114.1L230 D231 L232 G236 V282L230-C234 WeakPolarHBondContact O-CB 3.36Å; L230-C234 PolarHBondContact O-N 3.14Å; L230-C234 PolarHBondContact O-SG 3.41Å; D231-C234 CarbonylContact O-C 3.38Å; D231-C234 PolarHBondContact O-N 2.93Å; D231-C234 VanDerWaalsContact O-N 3.13Å; L232-C234 PolarHBondContact O-N 2.83Å; C234-G236 PolarHBondContact O-N 3.16Å; C234-G236 VanDerWaalsContact O-O 3.1Å; C234-V282 HydrophobicContact CB-CB 4.38Å; C234-V282 HydrophobicContact CB-CG2 3.65Å
235C65.5Low79.2Confident109 Ų10970.7 Ų70.774%0.73635%0.352SS*.SBendtrans-59.5-8.7175.6-74.20000113.7D231D231-C235 PolarHBondContact O-N 2.68Å; D231-C235 PolarHBondContact O-SG 2.87Å
236G67.2Low79.3Confident58 Ų5870.3 Ų70.360%0.59835%0.348SS*.SBendtrans-126.5-146173.500000112.8C234 P238C234-G236 PolarHBondContact O-N 3.16Å; C234-G236 VanDerWaalsContact O-O 3.1Å; G236-P238 WeakPolarHBondContact O-CD 3.3Å
237R66.4Low79.5Confident249 Ų24972.1 Ų72.194%0.9436%0.357SS*.  trans-80.7108.4169.1-74.9-172-179.5-176.41.1108.9
238P69.6Low79.6Confident29 Ų2975.7 Ų75.719%0.18837%0.373CS..  trans-61.8145.1176.326.1-33.9000109.8G236 L242G236-P238 WeakPolarHBondContact O-CD 3.3Å; P238-L242 HydrophobicContact CB-CD2 3.95Å
239S77.9Confident79.7Confident66 Ų6670.2 Ų70.246%0.46235%0.354SS..  trans-60.9148.9174.467.50000110.4D241 L242 R243S239-D241 PolarHBondContact O-N 2.92Å; S239-L242 PolarHBondContact O-N 2.89Å; S239-L242 WeakPolarHBondContact OG-CB 3.36Å; S239-L242 PolarHBondContact OG-N 3.37Å; S239-R243 PolarHBondContact O-N 3.12Å
240L80.4Confident80.1Confident140 Ų14069.9 Ų69.973%0.73335%0.351SS*.Hα-helixtrans-59-37.9179.2-175.467.1000111.2R243 R244L240-R243 PolarHBondContact O-N 3.31Å; L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.23Å
241D82.8Confident80.3Confident108 Ų10873.3 Ų73.358%0.57837%0.365SS*.Hα-helixtrans-66.4-42.2178.4-61.7-41.4000112.3S239 R244 R245S239-D241 PolarHBondContact O-N 2.92Å; D241-R244 PolarHBondContact O-N 2.61Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.36Å; D241-R245 PolarHBondContact O-N 3.29Å
242L79.9Confident80.6Confident14 Ų1473.8 Ų73.87%0.07337%0.365CS..Hα-helixtrans-60.2-46.8174.1177.872.4000110.4S193 F197 L233 P238 S239 R244 R245 L246S193-L242 WeakPolarHBondContact OG-CD1 3.29Å; F197-L242 HydrophobicContact CE2-CD1 3.56Å; F197-L242 HydrophobicContact CZ-CD1 3.62Å; L233-L242 HydrophobicContact CB-CD2 4.41Å; P238-L242 HydrophobicContact CB-CD2 3.95Å; S239-L242 PolarHBondContact O-N 2.89Å; S239-L242 WeakPolarHBondContact OG-CB 3.36Å; S239-L242 PolarHBondContact OG-N 3.37Å; L242-R244 PolarHBondContact O-N 2.96Å; L242-R245 PolarHBondContact O-N 2.92Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.29Å
243R82.6Confident80.8Confident53 Ų5370.2 Ų70.220%0.235%0.346CS..Hα-helixtrans-61.8-43.1178.3-173.3178.7-179.9176.43.2111.7S239 L240 L246 E247 L286 E347S239-R243 PolarHBondContact O-N 3.12Å; L240-R243 PolarHBondContact O-N 3.31Å; R243-L246 PolarHBondContact O-N 2.85Å; R243-E247 WeakPolarHBondContact O-CB 3.22Å; R243-E247 PolarHBondContact O-N 3.09Å; R243-L286 HydrophobicContact CG-CD1 4.4Å; R243-E347 IonicContact CZ-OE2 3.51Å; R243-E347 IonicContact NH1-OE2 2.78Å; R243-E347 PolarHBondContact NH1-OE2 3.34Å; R243-E347 IonicContact NH2-OE2 3.73Å; R243-E347 PolarHBondContact NH2-OE2 3.42Å
244R86.2Confident81.4Confident191 Ų19168.2 Ų68.272%0.72134%0.336SS*.Hα-helixtrans-66.3-44.7179.4-175.8179.8174.9-176.9-0.7112L240 D241 L242 L246 E247 E248L240-R244 WeakPolarHBondContact O-CB 3.2Å; L240-R244 PolarHBondContact O-N 3.23Å; D241-R244 PolarHBondContact O-N 2.61Å; L242-R244 PolarHBondContact O-N 2.96Å; R244-L246 VanDerWaalsContact C-N 3.35Å; R244-E247 PolarHBondContact O-N 2.92Å; R244-E248 WeakPolarHBondContact O-CB 3.36Å; R244-E248 PolarHBondContact O-N 2.77Å
245R85.1Confident82.1Confident134 Ų13471 Ų7151%0.50635%0.347SS..Hα-helixtrans-63.6-40.9176.1-74.2-175.6179.6-150.23.6111.7E194 F197 D241 L242 E248 A249E194-R245 IonicContact OE2-NH1 3.3Å; E194-R245 PolarHBondContact OE2-NH1 3.45Å; E194-R245 VanDerWaalsContact OE2-NH1 3.1Å; F197-R245 HydrophobicContact CD1-CB 4.24Å; F197-R245 HydrophobicContact CE1-CB 3.59Å; F197-R245 HydrophobicContact CE2-CB 3.86Å; F197-R245 HydrophobicContact CZ-CB 3.38Å; F197-R245 HydrophobicContact CZ-CG 4.5Å; D241-R245 WeakPolarHBondContact O-CB 3.48Å; D241-R245 WeakPolarHBondContact O-CG 3.36Å; D241-R245 PolarHBondContact O-N 3.29Å; L242-R245 PolarHBondContact O-N 2.92Å; R245-E248 PolarHBondContact O-N 3.31Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.82Å
246L86.8Confident83Confident1 Ų167.1 Ų67.11%0.00532%0.319CS..Hα-helixtrans-62.9-47.9175178.861000111.4F197 L200 L230 L242 R243 R244 E248 A249 L250 V282 L286F197-L246 HydrophobicContact CE1-CB 4.3Å; F197-L246 HydrophobicContact CZ-CB 4.47Å; L200-L246 HydrophobicContact CD1-CD1 4.31Å; L230-L246 HydrophobicContact CD1-CD1 3.65Å; L230-L246 HydrophobicContact CD1-CD2 4.34Å; L230-L246 HydrophobicContact CD2-CD1 4.35Å; L230-L246 HydrophobicContact CD2-CD2 4.42Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 PolarHBondContact O-N 3.29Å; R243-L246 PolarHBondContact O-N 2.85Å; R244-L246 VanDerWaalsContact C-N 3.35Å; L246-E248 VanDerWaalsContact C-N 3.26Å; L246-E248 PolarHBondContact O-N 3.18Å; L246-A249 PolarHBondContact O-N 3.36Å; L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CG-CD1 3.85Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.83Å; L246-V282 HydrophobicContact CD2-CG1 4.1Å; L246-L286 HydrophobicContact CD2-CD1 3.83Å; L246-L286 HydrophobicContact CG-CD1 4.04Å
247E89Confident83.8Confident39 Ų3964.3 Ų64.318%0.18229%0.29CS..Hα-helixtrans-57.5-41.5177.4-174.4177.9152.100111.9R243 R244 L250 R251 R289 L290R243-E247 WeakPolarHBondContact O-CB 3.22Å; R243-E247 PolarHBondContact O-N 3.09Å; R244-E247 PolarHBondContact O-N 2.92Å; E247-L250 PolarHBondContact O-N 3.36Å; E247-R251 VanDerWaalsContact O-CB 3.26Å; E247-R251 WeakPolarHBondContact O-CB 3.18Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 IonicContact OE1-NH1 3.1Å; E247-R251 IonicContact OE1-NH2 3.06Å; E247-R251 PolarHBondContact OE1-NH2 2.92Å; E247-R289 VanDerWaalsContact CD-NH2 3.32Å; E247-R289 IonicContact OE1-NH2 2.68Å; E247-R289 IonicContact OE2-NH2 2.59Å; E247-R289 PolarHBondContact OE2-NH2 2.89Å; E247-L290 HydrophobicContact CG-CD1 4.42Å; E247-L290 HydrophobicContact CG-CD2 4.39Å
248E89.9Confident84.5Confident77 Ų7752.6 Ų52.636%0.3625%0.246SC..Hα-helixtrans-67.9-44.5178.8-172.553.2-149.400112.3R244 R245 L246 L250 R251 Q252R244-E248 WeakPolarHBondContact O-CB 3.36Å; R244-E248 PolarHBondContact O-N 2.77Å; R245-E248 PolarHBondContact O-N 3.31Å; L246-E248 VanDerWaalsContact C-N 3.26Å; L246-E248 PolarHBondContact O-N 3.18Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 2.87Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 IonicContact OE2-NH1 2.88Å; E248-R251 PolarHBondContact OE2-NH1 3.3Å; E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 PolarHBondContact OE1-NE2 2.76Å; E248-Q252 VanDerWaalsContact OE1-NE2 3.17Å
249A86.1Confident85.1Confident10 Ų1056.4 Ų56.48%0.08326%0.261CS..Hα-helixtrans-60.5-44.1174.900000111.8L200 R245 L246 Q252 L253L200-A249 HydrophobicContact CB-CB 4.49Å; L200-A249 HydrophobicContact CD1-CB 4.16Å; R245-A249 WeakPolarHBondContact O-CB 3.43Å; R245-A249 PolarHBondContact O-N 2.82Å; L246-A249 PolarHBondContact O-N 3.36Å; A249-Q252 PolarHBondContact O-N 3.28Å; A249-L253 WeakPolarHBondContact O-CG 3.38Å; A249-L253 PolarHBondContact O-N 2.99Å
250L88.9Confident84.9Confident1 Ų154.4 Ų54.41%0.00525%0.247CC..Hα-helixtrans-64.4-41.3176.8-66.3173.3000112L246 E247 E248 Q252 L253 T254 L277 L286 L287 L290L246-L250 HydrophobicContact CD1-CD1 3.98Å; L246-L250 HydrophobicContact CD1-CD2 4.4Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CG-CD1 3.85Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 2.83Å; E247-L250 PolarHBondContact O-N 3.36Å; E248-L250 VanDerWaalsContact C-N 3.35Å; E248-L250 PolarHBondContact O-N 2.87Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; L250-L253 PolarHBondContact O-N 3Å; L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.21Å; L250-T254 PolarHBondContact O-OG1 3.16Å; L250-L277 HydrophobicContact CD2-CD2 3.19Å; L250-L277 HydrophobicContact CD2-CG 3.83Å; L250-L286 HydrophobicContact CD1-CB 3.79Å; L250-L286 HydrophobicContact CD1-CD1 4.28Å; L250-L287 HydrophobicContact CB-CD2 4.09Å; L250-L287 HydrophobicContact CD1-CD2 4.44Å; L250-L287 HydrophobicContact CD1-CG 4.06Å; L250-L287 HydrophobicContact CD2-CD1 4.11Å; L250-L287 HydrophobicContact CD2-CD2 3.77Å; L250-L287 HydrophobicContact CD2-CG 3.84Å; L250-L287 HydrophobicContact CG-CD2 4.31Å; L250-L287 HydrophobicContact CG-CG 4.38Å; L250-L290 HydrophobicContact CB-CD1 3.71Å
251R90.1Very high84Confident74 Ų7452.7 Ų52.728%0.27925%0.245SC..Hα-helixtrans-60.2-45.9175.5-179.3-179.4-73122.93.4110.5E247 E248 L253 T254 Q255 L290E247-R251 VanDerWaalsContact O-CB 3.26Å; E247-R251 WeakPolarHBondContact O-CB 3.18Å; E247-R251 PolarHBondContact O-N 3.02Å; E247-R251 IonicContact OE1-CZ 3.94Å; E247-R251 IonicContact OE1-NH1 3.1Å; E247-R251 IonicContact OE1-NH2 3.06Å; E247-R251 PolarHBondContact OE1-NH2 2.92Å; E248-R251 PolarHBondContact O-N 3.35Å; E248-R251 IonicContact OE2-NH1 2.88Å; E248-R251 PolarHBondContact OE2-NH1 3.3Å; R251-L253 PolarHBondContact O-N 3.17Å; R251-T254 PolarHBondContact O-N 3.46Å; R251-Q255 HydrophobicContact CG-CG 4.38Å; R251-Q255 WeakPolarHBondContact O-CB 3.47Å; R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.41Å; R251-Q255 PolarHBondContact O-N 3.39Å; R251-L290 HydrophobicContact CB-CD1 4.35Å; R251-L290 HydrophobicContact CB-CD2 4.28Å
252Q88.3Confident82.6Confident61 Ų6157.5 Ų57.529%0.28526%0.255SS..Hα-helixtrans-61.5-45.3178-71.4175.215.300112.3E248 A249 L250 Q255 M256E248-Q252 VanDerWaalsContact O-CG 3.29Å; E248-Q252 WeakPolarHBondContact O-CG 3.36Å; E248-Q252 PolarHBondContact O-N 3.47Å; E248-Q252 PolarHBondContact OE1-NE2 2.76Å; E248-Q252 VanDerWaalsContact OE1-NE2 3.17Å; A249-Q252 PolarHBondContact O-N 3.28Å; L250-Q252 VanDerWaalsContact C-N 3.34Å; Q252-Q255 PolarHBondContact O-N 3.48Å; Q252-M256 WeakPolarHBondContact O-CB 3.46Å; Q252-M256 VanDerWaalsContact O-CG 3.28Å; Q252-M256 WeakPolarHBondContact O-CG 3.36Å; Q252-M256 PolarHBondContact O-N 3.12Å
253L85.7Confident81.4Confident3 Ų358.6 Ų58.62%0.01626%0.262CS..Hα-helixtrans-62.6-42.4176.1-66.1176.9000112V203 A204 A249 L250 R251 M256 L257 L270 L274 L277V203-L253 HydrophobicContact CG1-CD2 4.27Å; A204-L253 HydrophobicContact CB-CD2 3.9Å; A249-L253 WeakPolarHBondContact O-CG 3.38Å; A249-L253 PolarHBondContact O-N 2.99Å; L250-L253 PolarHBondContact O-N 3Å; R251-L253 PolarHBondContact O-N 3.17Å; L253-M256 HydrophobicContact CD2-CE 3.46Å; L253-M256 VanDerWaalsContact CD2-CE 3.46Å; L253-M256 HydrophobicContact CG-CE 4.4Å; L253-M256 PolarHBondContact O-N 2.81Å; L253-L257 PolarHBondContact O-N 3.06Å; L253-L257 VanDerWaalsContact O-N 3.13Å; L253-L270 HydrophobicContact CB-CD1 4.48Å; L253-L270 HydrophobicContact CD2-CD1 4.19Å; L253-L274 HydrophobicContact CB-CD2 3.8Å; L253-L274 HydrophobicContact CD1-CD2 4.3Å; L253-L277 HydrophobicContact CD1-CD2 3.92Å
254T87.9Confident80.4Confident1 Ų157.5 Ų57.51%0.00627%0.268CS..Hα-helixtrans-65.3-43.4178.9-54.40000111.3L250 R251 L257 L258 I291 L328L250-T254 WeakPolarHBondContact O-CB 3.47Å; L250-T254 PolarHBondContact O-N 3.21Å; L250-T254 PolarHBondContact O-OG1 3.16Å; R251-T254 PolarHBondContact O-N 3.46Å; T254-L257 PolarHBondContact O-N 2.87Å; T254-L258 PolarHBondContact O-N 3.24Å; T254-L258 VanDerWaalsContact O-N 3.08Å; T254-I291 HydrophobicContact CG2-CG1 4.14Å; T254-L328 HydrophobicContact CG2-CD1 3.84Å; T254-L328 HydrophobicContact CG2-CD2 3.75Å
255Q87.3Confident79.4Confident72 Ų7256 Ų5634%0.33626%0.262SS..Hα-helixtrans-66.8-36.6176.7-75.2179.6-8.400112.1R251 Q252 L257 L258 H259R251-Q255 HydrophobicContact CG-CG 4.38Å; R251-Q255 WeakPolarHBondContact O-CB 3.47Å; R251-Q255 VanDerWaalsContact O-CG 3.31Å; R251-Q255 WeakPolarHBondContact O-CG 3.41Å; R251-Q255 PolarHBondContact O-N 3.39Å; Q252-Q255 PolarHBondContact O-N 3.48Å; Q255-L257 VanDerWaalsContact C-N 3.3Å; Q255-L257 PolarHBondContact O-N 2.87Å; Q255-L258 PolarHBondContact O-N 3.48Å; Q255-H259 WeakPolarHBondContact O-CB 3.37Å; Q255-H259 PolarHBondContact O-N 3.46Å; Q255-H259 PolarHBondContact O-ND1 3.16Å
256M84.1Confident78.6Confident28 Ų2851.5 Ų51.514%0.13825%0.254CS..Hα-helixtrans-62.9-37.6173.6-77.1-169.2-58.600112.4A204 C207 R208 Q252 L253 S260 L270A204-M256 HydrophobicContact CB-CE 3.77Å; C207-M256 HydrophobicContact CB-CE 4.47Å; R208-M256 HydrophobicContact CG-SD 3.58Å; R208-M256 VanDerWaalsContact CG-SD 3.58Å; R208-M256 PolarHBondContact NE-SD 2.83Å; Q252-M256 WeakPolarHBondContact O-CB 3.46Å; Q252-M256 VanDerWaalsContact O-CG 3.28Å; Q252-M256 WeakPolarHBondContact O-CG 3.36Å; Q252-M256 PolarHBondContact O-N 3.12Å; L253-M256 HydrophobicContact CD2-CE 3.46Å; L253-M256 VanDerWaalsContact CD2-CE 3.46Å; L253-M256 HydrophobicContact CG-CE 4.4Å; L253-M256 PolarHBondContact O-N 2.81Å; M256-S260 VanDerWaalsContact O-CB 3.32Å; M256-S260 WeakPolarHBondContact O-CB 3.31Å; M256-S260 PolarHBondContact O-N 3.03Å; M256-S260 VanDerWaalsContact O-N 3.07Å; M256-L270 HydrophobicContact CB-CD2 4.21Å
257L84.3Confident77.9Confident0 Ų051.7 Ų51.70%026%0.256CS..Hα-helixtrans-66-40.7174.3-168.671.1000111.2L253 T254 Q255 S260 A267 L270 K271 L274 N324 H327 L328L253-L257 PolarHBondContact O-N 3.06Å; L253-L257 VanDerWaalsContact O-N 3.13Å; T254-L257 PolarHBondContact O-N 2.87Å; Q255-L257 VanDerWaalsContact C-N 3.3Å; Q255-L257 PolarHBondContact O-N 2.87Å; L257-S260 PolarHBondContact O-OG 3.19Å; L257-A267 HydrophobicContact CD1-CB 4Å; L257-L270 HydrophobicContact CB-CD2 3.71Å; L257-L270 HydrophobicContact CB-CG 4.32Å; L257-L270 HydrophobicContact CD1-CB 4.09Å; L257-L270 HydrophobicContact CD1-CD2 3.81Å; L257-L270 HydrophobicContact CD1-CG 4.02Å; L257-L270 HydrophobicContact CG-CD2 4.37Å; L257-K271 HydrophobicContact CD2-CB 4.37Å; L257-L274 HydrophobicContact CD2-CD1 4.07Å; L257-N324 VanDerWaalsContact O-CB 3.27Å; L257-N324 WeakPolarHBondContact O-CB 3.34Å; L257-N324 VanDerWaalsContact O-CG 3.29Å; L257-N324 PolarHBondContact O-ND2 3.36Å; L257-H327 HydrophobicContact CD1-CB 4.42Å; L257-H327 HydrophobicContact CD2-CB 3.82Å; L257-H327 HydrophobicContact CG-CB 4.29Å; L257-L328 HydrophobicContact CB-CD2 4.48Å; L257-L328 HydrophobicContact CD2-CD2 3.5Å; L257-L328 VanDerWaalsContact CD2-CD2 3.5Å; L257-L328 HydrophobicContact CD2-CG 4.04Å; L257-L328 HydrophobicContact CG-CD2 4.48Å
258L82.4Confident77.3Confident3 Ų352.7 Ų52.72%0.01626%0.26CS..Hα-helixtrans-68.7-39-179.7-81.7170.7000114T254 Q255 E294 R321 N324 L328T254-L258 PolarHBondContact O-N 3.24Å; T254-L258 VanDerWaalsContact O-N 3.08Å; Q255-L258 PolarHBondContact O-N 3.48Å; L258-E294 HydrophobicContact CD1-CB 3.88Å; L258-E294 HydrophobicContact CD1-CG 4Å; L258-R321 HydrophobicContact CD2-CG 4.4Å; L258-N324 WeakPolarHBondContact O-CB 3.5Å; L258-N324 PolarHBondContact O-ND2 2.92Å; L258-L328 HydrophobicContact CD1-CD1 3.55Å; L258-L328 HydrophobicContact CD2-CD1 3.53Å; L258-L328 HydrophobicContact CD2-CG 4.18Å; L258-L328 HydrophobicContact CG-CD1 3.41Å; L258-L328 VanDerWaalsContact CG-CD1 3.41Å; L258-L328 HydrophobicContact CG-CG 4.19Å
259H81.3Confident76.9Confident109 Ų10950.6 Ų50.651%0.50525%0.25SS..Hα-helixtrans-103.18.4-172.6-57.485.7000112.8Q255 P261Q255-H259 WeakPolarHBondContact O-CB 3.37Å; Q255-H259 PolarHBondContact O-N 3.46Å; Q255-H259 PolarHBondContact O-ND1 3.16Å; H259-P261 VanDerWaalsContact O-CD 3.28Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å
260S74.2Confident76.7Confident24 Ų2450.5 Ų50.517%0.16825%0.248CC..  trans-65119.8176.257.20000109.5M256 L257 R262 N324M256-S260 VanDerWaalsContact O-CB 3.32Å; M256-S260 WeakPolarHBondContact O-CB 3.31Å; M256-S260 PolarHBondContact O-N 3.03Å; M256-S260 VanDerWaalsContact O-N 3.07Å; L257-S260 PolarHBondContact O-OG 3.19Å; S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 VanDerWaalsContact O-N 3.12Å; S260-N324 PolarHBondContact O-ND2 3.26Å; S260-N324 PolarHBondContact OG-ND2 3.45Å
261P60.6Low76.6Confident104 Ų10451.3 Ų51.368%0.67525%0.251SS*.SBendtrans-74.51.5-177.630.7-35.9000113.1H259H259-P261 VanDerWaalsContact O-CD 3.28Å; H259-P261 WeakPolarHBondContact O-CD 3.46Å
262R54.9Low76.4Confident209 Ų20951.2 Ų51.279%0.78925%0.254SS*.  trans-137.2113.2179.3-70.3-175.7177.2133.5-1.6109.9S260 G264S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 VanDerWaalsContact O-N 3.12Å; R262-G264 VanDerWaalsContact C-N 3.3Å; R262-G264 PolarHBondContact O-N 3Å
263P53.3Low76.3Confident36 Ų3648.4 Ų48.423%0.23424%0.241CC..  trans-72.190.3164.629.5-30.9000107.8I136I136-P263 HydrophobicContact CD1-CB 4.17Å; I136-P263 HydrophobicContact CD1-CG 4.48Å; I136-P263 HydrophobicContact CG1-CG 4.35Å; I136-P263 HydrophobicContact CG2-CB 4.38Å; I136-P263 HydrophobicContact CG2-CG 4.39Å; I136-P263 WeakPolarHBondContact CG2-O 3.43Å
264G62.2Low76.5Confident31 Ų3148.2 Ų48.232%0.3224%0.24SC..SBendtrans-128.6-175.2-17900000112.7R262 A266 A267 E268R262-G264 VanDerWaalsContact C-N 3.3Å; R262-G264 PolarHBondContact O-N 3Å; G264-A266 PolarHBondContact O-N 3.34Å; G264-A267 PolarHBondContact O-N 3.08Å; G264-E268 PolarHBondContact O-N 2.54Å
265R64.8Low76.6Confident158 Ų15850 Ų5060%0.59625%0.251SS*.Hα-helixtrans-49.8-29175.9-172175178.9-177-1.1113.2D217 K269D217-R265 IonicContact OD2-NH2 3.22Å; D217-R265 PolarHBondContact OD2-NH2 3.5Å; R265-K269 VanDerWaalsContact O-CG 3.3Å; R265-K269 WeakPolarHBondContact O-CG 3.49Å; R265-K269 PolarHBondContact O-N 3.48Å; R265-K269 VanDerWaalsContact O-N 3.14Å
266A67.9Low76.6Confident41 Ų4146.8 Ų46.834%0.33924%0.237SC..Hα-helixtrans-67.9-41.2175.800000113.4L211 G264 K269 L270L211-A266 HydrophobicContact CD1-CB 4.08Å; G264-A266 PolarHBondContact O-N 3.34Å; A266-K269 PolarHBondContact O-N 2.9Å; A266-L270 VanDerWaalsContact O-CB 3.3Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 3.23Å
267A72.7Confident76.7Confident5 Ų545.5 Ų45.54%0.04123%0.231CC..Hα-helixtrans-67.5-38.1177.500000111.5L257 G264 L270 K271L257-A267 HydrophobicContact CD1-CB 4Å; G264-A267 PolarHBondContact O-N 3.08Å; A267-L270 PolarHBondContact O-N 3.5Å; A267-K271 PolarHBondContact O-N 3.34Å
268E77.4Confident76.8Confident59 Ų5945.7 Ų45.728%0.27623%0.232SC..Hα-helixtrans-61.4-42.3173.8-71-67.3117.400112.2G264 K271 E272 H327G264-E268 PolarHBondContact O-N 2.54Å; E268-K271 WeakPolarHBondContact O-CG 3.27Å; E268-K271 VanDerWaalsContact OE1-CE 3.32Å; E268-K271 WeakPolarHBondContact OE1-CE 3.2Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.79Å; E268-K271 PolarHBondContact OE2-NZ 3.13Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.26Å; E268-H327 IonicContact OE1-CE1 2.82Å; E268-H327 PolarHBondContact OE1-CE1 3.33Å; E268-H327 VanDerWaalsContact OE1-CE1 3.3Å; E268-H327 IonicContact OE1-ND1 3.85Å
269K80.3Confident76.9Confident34 Ų3449.2 Ų49.215%0.14826%0.257CS..Hα-helixtrans-74.6-32.2176-63.9-63.1178.4177.60112.7P216 D217 L219 R265 A266 E272 S273P216-K269 HydrophobicContact CB-CB 4.47Å; P216-K269 HydrophobicContact CB-CG 3.81Å; P216-K269 WeakPolarHBondContact O-CD 3.37Å; D217-K269 WeakPolarHBondContact OD1-CE 3.44Å; D217-K269 IonicContact OD1-NZ 3.52Å; D217-K269 PolarHBondContact OD1-NZ 3.16Å; L219-K269 HydrophobicContact CD1-CB 4.33Å; R265-K269 VanDerWaalsContact O-CG 3.3Å; R265-K269 WeakPolarHBondContact O-CG 3.49Å; R265-K269 PolarHBondContact O-N 3.48Å; R265-K269 VanDerWaalsContact O-N 3.14Å; A266-K269 PolarHBondContact O-N 2.9Å; K269-E272 WeakPolarHBondContact CD-OE2 3.49Å; K269-E272 IonicContact NZ-OE2 2.82Å; K269-E272 PolarHBondContact NZ-OE2 2.86Å; K269-E272 PolarHBondContact O-N 3.47Å; K269-S273 WeakPolarHBondContact O-CB 3.11Å; K269-S273 PolarHBondContact O-N 3.23Å
270L82.9Confident77Confident7 Ų744 Ų444%0.03723%0.233CC..Hα-helixtrans-65.6-44.8174.3-178.259.7000111.3L253 M256 L257 A266 A267 E272 S273 L274L253-L270 HydrophobicContact CB-CD1 4.48Å; L253-L270 HydrophobicContact CD2-CD1 4.19Å; M256-L270 HydrophobicContact CB-CD2 4.21Å; L257-L270 HydrophobicContact CB-CD2 3.71Å; L257-L270 HydrophobicContact CB-CG 4.32Å; L257-L270 HydrophobicContact CD1-CB 4.09Å; L257-L270 HydrophobicContact CD1-CD2 3.81Å; L257-L270 HydrophobicContact CD1-CG 4.02Å; L257-L270 HydrophobicContact CG-CD2 4.37Å; A266-L270 VanDerWaalsContact O-CB 3.3Å; A266-L270 WeakPolarHBondContact O-CB 3.3Å; A266-L270 PolarHBondContact O-N 3.23Å; A267-L270 PolarHBondContact O-N 3.5Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.17Å; L270-S273 WeakPolarHBondContact CA-OG 3.25Å; L270-S273 PolarHBondContact O-N 2.92Å; L270-S273 VanDerWaalsContact O-N 3.16Å; L270-S273 PolarHBondContact O-OG 3.43Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 3.34Å
271K85.9Confident77.3Confident18 Ų1845.5 Ų45.58%0.07824%0.244CC..Hα-helixtrans-63.2-39.6175.269.8175.4-166.5-168.40112L257 A267 E268 S273 L274 V275 W330 V331L257-K271 HydrophobicContact CD2-CB 4.37Å; A267-K271 PolarHBondContact O-N 3.34Å; E268-K271 WeakPolarHBondContact O-CG 3.27Å; E268-K271 VanDerWaalsContact OE1-CE 3.32Å; E268-K271 WeakPolarHBondContact OE1-CE 3.2Å; E268-K271 IonicContact OE1-NZ 2.96Å; E268-K271 PolarHBondContact OE1-NZ 2.87Å; E268-K271 WeakPolarHBondContact OE2-CE 3.48Å; E268-K271 IonicContact OE2-NZ 2.79Å; E268-K271 PolarHBondContact OE2-NZ 3.13Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; K271-L274 PolarHBondContact O-N 3.33Å; K271-V275 WeakPolarHBondContact O-CG2 3.49Å; K271-V275 PolarHBondContact O-N 3.49Å; K271-V275 VanDerWaalsContact O-N 3.09Å; K271-W330 HydrophobicContact CB-CE3 4.45Å; K271-W330 HydrophobicContact CB-CZ3 4.43Å; K271-W330 HydrophobicContact CD-CE3 3.95Å; K271-W330 HydrophobicContact CD-CZ3 4.11Å; K271-W330 HydrophobicContact CG-CE3 4.37Å; K271-W330 HydrophobicContact CG-CZ3 4.18Å; K271-V331 HydrophobicContact CB-CG2 3.7Å
272E86.5Confident78.3Confident73 Ų7341 Ų4134%0.34121%0.214SC..Hα-helixtrans-61.9-41.3173.4-74.9175.2-174.500111.2P220 E268 K269 L270 V275 A276P220-E272 HydrophobicContact CB-CB 4.31Å; P220-E272 HydrophobicContact CG-CB 3.88Å; E268-E272 WeakPolarHBondContact O-CG 3.47Å; E268-E272 PolarHBondContact O-N 3.26Å; K269-E272 WeakPolarHBondContact CD-OE2 3.49Å; K269-E272 IonicContact NZ-OE2 2.82Å; K269-E272 PolarHBondContact NZ-OE2 2.86Å; K269-E272 PolarHBondContact O-N 3.47Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.17Å; E272-V275 PolarHBondContact O-N 3.28Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.29Å
273S85.3Confident79.8Confident1 Ų131 Ų311%0.00718%0.177CC..Hα-helixtrans-66.3-38.8178.878.80000112.6S223 K269 L270 K271 A276 L277S223-S273 VanDerWaalsContact CB-O 3.29Å; S223-S273 WeakPolarHBondContact CB-O 3.46Å; S223-S273 WeakPolarHBondContact OG-CA 3.29Å; S223-S273 PolarHBondContact OG-O 3.45Å; K269-S273 WeakPolarHBondContact O-CB 3.11Å; K269-S273 PolarHBondContact O-N 3.23Å; L270-S273 WeakPolarHBondContact CA-OG 3.25Å; L270-S273 PolarHBondContact O-N 2.92Å; L270-S273 VanDerWaalsContact O-N 3.16Å; L270-S273 PolarHBondContact O-OG 3.43Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; S273-A276 PolarHBondContact O-N 3.08Å; S273-L277 WeakPolarHBondContact O-CB 3.36Å; S273-L277 PolarHBondContact O-N 3.33Å
274L89.6Confident81.5Confident0 Ų029.8 Ų29.80%017%0.168CC..Hα-helixtrans-65.2-41.3175.5-75.2172.5000111.6L253 L257 L270 K271 L277 G278 L287 L328 V331L253-L274 HydrophobicContact CB-CD2 3.8Å; L253-L274 HydrophobicContact CD1-CD2 4.3Å; L257-L274 HydrophobicContact CD2-CD1 4.07Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 3.34Å; K271-L274 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 3.47Å; L274-G278 PolarHBondContact O-N 3.17Å; L274-L287 HydrophobicContact CD2-CD2 4Å; L274-L328 HydrophobicContact CD1-CD2 4.5Å; L274-V331 HydrophobicContact CB-CG1 4.11Å; L274-V331 HydrophobicContact CB-CG2 4.4Å
275V89.9Confident82.7Confident38 Ų3828.8 Ų28.823%0.2316%0.155CC..Hα-helixtrans-62.5-45.8173.5172.40000110.9K271 E272 L277 G278 S279 W330 V331 R334K271-V275 WeakPolarHBondContact O-CG2 3.49Å; K271-V275 PolarHBondContact O-N 3.49Å; K271-V275 VanDerWaalsContact O-N 3.09Å; E272-V275 PolarHBondContact O-N 3.28Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 3.26Å; V275-G278 CarbonylContact O-C 3.56Å; V275-G278 PolarHBondContact O-N 3.33Å; V275-S279 PolarHBondContact O-N 2.82Å; V275-W330 HydrophobicContact CG2-CE3 4.41Å; V275-W330 HydrophobicContact CG2-CH2 4.37Å; V275-W330 HydrophobicContact CG2-CZ3 3.69Å; V275-V331 HydrophobicContact CG2-CB 4.32Å; V275-V331 HydrophobicContact CG2-CG1 4.01Å; V275-V331 HydrophobicContact CG2-CG2 4.16Å; V275-R334 HydrophobicContact CG1-CB 4.39Å; V275-R334 HydrophobicContact CG2-CB 4.06Å
276A88.3Confident83.7Confident5 Ų521.3 Ų21.34%0.04113%0.127CC..Hα-helixtrans-64.9-34.7177.500000112.7S223 R224 S227 E272 S273 S279S223-A276 WeakPolarHBondContact OG-CB 3.33Å; R224-A276 HydrophobicContact CB-CB 4.33Å; S227-A276 WeakPolarHBondContact CB-O 3.3Å; S227-A276 PolarHBondContact OG-O 3.4Å; S227-A276 VanDerWaalsContact OG-O 3.04Å; E272-A276 WeakPolarHBondContact O-CB 3.46Å; E272-A276 PolarHBondContact O-N 3.29Å; S273-A276 PolarHBondContact O-N 3.08Å; A276-S279 VanDerWaalsContact O-CB 3.3Å; A276-S279 WeakPolarHBondContact O-CB 3.48Å; A276-S279 PolarHBondContact O-N 2.92Å; A276-S279 PolarHBondContact O-OG 2.91Å
277L86.6Confident84.8Confident1 Ų119.3 Ų19.31%0.00511%0.111CC..Hα-helixtrans-68.2-39.3174.8-16754.8000111.5L200 A226 S227 L230 L250 L253 S273 L274 V275 S279 S283L200-L277 HydrophobicContact CD2-CD1 3.93Å; L200-L277 HydrophobicContact CD2-CD2 3.9Å; A226-L277 HydrophobicContact CB-CD1 4.21Å; S227-L277 WeakPolarHBondContact CB-O 3.44Å; L230-L277 HydrophobicContact CD1-CD1 4.12Å; L250-L277 HydrophobicContact CD2-CD2 3.19Å; L250-L277 HydrophobicContact CD2-CG 3.83Å; L253-L277 HydrophobicContact CD1-CD2 3.92Å; S273-L277 WeakPolarHBondContact O-CB 3.36Å; S273-L277 PolarHBondContact O-N 3.33Å; L274-L277 PolarHBondContact O-N 3.47Å; V275-L277 VanDerWaalsContact C-N 3.32Å; V275-L277 PolarHBondContact O-N 3.26Å; L277-S279 PolarHBondContact O-N 3.29Å; L277-S279 VanDerWaalsContact O-N 3.1Å; L277-S283 WeakPolarHBondContact O-CB 3.38Å; L277-S283 PolarHBondContact O-OG 2.85Å
278G85.2Confident85.6Confident3 Ų319.1 Ų19.13%0.03111%0.109CC..THydrogen-bonded Turntrans-72.914173.500000115.3L274 V275 S280 K284L274-G278 PolarHBondContact O-N 3.17Å; V275-G278 CarbonylContact O-C 3.56Å; V275-G278 PolarHBondContact O-N 3.33Å; G278-S280 VanDerWaalsContact C-N 3.3Å; G278-K284 WeakPolarHBondContact O-CB 3.27Å
279S84.9Confident86Confident77 Ų7719 Ų1954%0.53811%0.106SC..THydrogen-bonded Turntrans-74.6-23.4169.6-55.70000112.3V275 A276 L277V275-S279 PolarHBondContact O-N 2.82Å; A276-S279 VanDerWaalsContact O-CB 3.3Å; A276-S279 WeakPolarHBondContact O-CB 3.48Å; A276-S279 PolarHBondContact O-N 2.92Å; A276-S279 PolarHBondContact O-OG 2.91Å; L277-S279 PolarHBondContact O-N 3.29Å; L277-S279 VanDerWaalsContact O-N 3.1Å
280S84.1Confident86.5Confident0 Ų017.7 Ų17.70%010%0.101CC..SBendtrans-80.9141.1174.7162.90000110.7D231 G278 V282 S283 K284D231-S280 VanDerWaalsContact CG-CB 3.41Å; D231-S280 WeakPolarHBondContact OD1-CA 2.96Å; D231-S280 WeakPolarHBondContact OD1-CB 3.22Å; D231-S280 PolarHBondContact OD1-OG 3.09Å; D231-S280 WeakPolarHBondContact OD2-CA 3.5Å; D231-S280 WeakPolarHBondContact OD2-CB 3.48Å; G278-S280 VanDerWaalsContact C-N 3.3Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 PolarHBondContact OG-N 3.43Å; S280-S283 VanDerWaalsContact CB-OG 3.28Å; S280-S283 WeakPolarHBondContact CB-OG 3.47Å; S280-S283 PolarHBondContact O-N 3.41Å; S280-S283 PolarHBondContact O-OG 3.36Å; S280-K284 WeakPolarHBondContact O-CB 3.47Å; S280-K284 PolarHBondContact O-N 2.88Å
281S80.8Confident86.8Confident56 Ų5617.3 Ų17.339%0.39210%0.099SC..Hα-helixtrans-64.3-36.3-177.566.10000112.4D231 S285 W343D231-S281 PolarHBondContact OD1-N 3.09Å; S281-S285 PolarHBondContact O-N 3.47Å; S281-W343 WeakPolarHBondContact O-CB 3.36Å
282V81.4Confident86.9Confident9 Ų916.5 Ų16.56%0.05510%0.096CC..Hα-helixtrans-70.6-49.4177.9179.30000110.9C234 L246 S280 K284 S285 L286C234-V282 HydrophobicContact CB-CB 4.38Å; C234-V282 HydrophobicContact CB-CG2 3.65Å; L246-V282 HydrophobicContact CD2-CG1 4.1Å; S280-V282 VanDerWaalsContact C-N 3.3Å; S280-V282 PolarHBondContact O-N 3.46Å; S280-V282 PolarHBondContact OG-N 3.43Å; V282-K284 VanDerWaalsContact C-N 3.34Å; V282-K284 PolarHBondContact O-N 3.22Å; V282-S285 PolarHBondContact O-OG 3.4Å; V282-L286 HydrophobicContact CG1-CD1 4.39Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.88Å
283S86.6Confident87Confident0 Ų016 Ų160%010%0.1CC..Hα-helixtrans-66.2-36.9179.365.10000111.8L277 S280 L286 L287L277-S283 WeakPolarHBondContact O-CB 3.38Å; L277-S283 PolarHBondContact O-OG 2.85Å; S280-S283 VanDerWaalsContact CB-OG 3.28Å; S280-S283 WeakPolarHBondContact CB-OG 3.47Å; S280-S283 PolarHBondContact O-N 3.41Å; S280-S283 PolarHBondContact O-OG 3.36Å; S283-L286 PolarHBondContact O-N 2.78Å; S283-L287 VanDerWaalsContact O-CB 3.3Å; S283-L287 WeakPolarHBondContact O-CB 3.28Å; S283-L287 WeakPolarHBondContact O-CG 3.26Å; S283-L287 PolarHBondContact O-N 3.28Å
284K88.2Confident87.1Confident10 Ų1017.4 Ų17.44%0.04311%0.106CC..Hα-helixtrans-59.3-49.4177.9-172.8173.4179.3-1720112G278 S280 V282 L286 L287 V288 L335 S338 W343G278-K284 WeakPolarHBondContact O-CB 3.27Å; S280-K284 WeakPolarHBondContact O-CB 3.47Å; S280-K284 PolarHBondContact O-N 2.88Å; V282-K284 VanDerWaalsContact C-N 3.34Å; V282-K284 PolarHBondContact O-N 3.22Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.17Å; K284-L287 PolarHBondContact O-N 3.4Å; K284-V288 WeakPolarHBondContact O-CB 3.18Å; K284-V288 VanDerWaalsContact O-CG2 3.29Å; K284-V288 WeakPolarHBondContact O-CG2 3.37Å; K284-V288 PolarHBondContact O-N 2.95Å; K284-L335 WeakPolarHBondContact CE-O 3.38Å; K284-L335 HydrophobicContact CG-CD2 4.46Å; K284-L335 PolarHBondContact NZ-O 3.36Å; K284-S338 VanDerWaalsContact NZ-CB 3.28Å; K284-S338 PolarHBondContact NZ-OG 3.24Å; K284-W343 HydrophobicContact CB-CB 4.44Å; K284-W343 HydrophobicContact CB-CG 4.48Å; K284-W343 HydrophobicContact CD-CB 4.28Å; K284-W343 HydrophobicContact CD-CD2 3.7Å; K284-W343 HydrophobicContact CD-CE3 4.34Å; K284-W343 HydrophobicContact CD-CG 3.61Å; K284-W343 VanDerWaalsContact CE-NE1 3.32Å; K284-W343 HydrophobicContact CG-CD2 3.86Å; K284-W343 HydrophobicContact CG-CE3 3.99Å; K284-W343 HydrophobicContact CG-CG 4.11Å; K284-W343 HydrophobicContact CG-CZ3 4.46Å
285S87Confident87.1Confident9 Ų917.4 Ų17.46%0.06311%0.107CC..Hα-helixtrans-60.1-41178.272.60000112.7S281 V282 R289 W343S281-S285 PolarHBondContact O-N 3.47Å; V282-S285 PolarHBondContact O-OG 3.4Å; S285-R289 WeakPolarHBondContact O-CB 3.48Å; S285-R289 PolarHBondContact O-N 3.38Å; S285-W343 WeakPolarHBondContact CB-O 3.36Å
286L87.1Confident86.9Confident1 Ų115.9 Ų15.91%0.00510%0.099CC..Hα-helixtrans-70.5-43.3178.2-67.4173.5000111.4R243 L246 L250 V282 S283 K284 R289 L290R243-L286 HydrophobicContact CG-CD1 4.4Å; L246-L286 HydrophobicContact CD2-CD1 3.83Å; L246-L286 HydrophobicContact CG-CD1 4.04Å; L250-L286 HydrophobicContact CD1-CB 3.79Å; L250-L286 HydrophobicContact CD1-CD1 4.28Å; V282-L286 HydrophobicContact CG1-CD1 4.39Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 2.88Å; S283-L286 PolarHBondContact O-N 2.78Å; K284-L286 VanDerWaalsContact C-N 3.32Å; K284-L286 PolarHBondContact O-N 3.17Å; L286-R289 PolarHBondContact O-N 2.97Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.25Å; L286-L290 PolarHBondContact O-N 2.72Å
287L89.6Confident86.8Confident0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-62.2-47.7177.7-83.9171.9000111.7L250 L274 S283 K284 R289 L290 I291 L335L250-L287 HydrophobicContact CB-CD2 4.09Å; L250-L287 HydrophobicContact CD1-CD2 4.44Å; L250-L287 HydrophobicContact CD1-CG 4.06Å; L250-L287 HydrophobicContact CD2-CD1 4.11Å; L250-L287 HydrophobicContact CD2-CD2 3.77Å; L250-L287 HydrophobicContact CD2-CG 3.84Å; L250-L287 HydrophobicContact CG-CD2 4.31Å; L250-L287 HydrophobicContact CG-CG 4.38Å; L274-L287 HydrophobicContact CD2-CD2 4Å; S283-L287 VanDerWaalsContact O-CB 3.3Å; S283-L287 WeakPolarHBondContact O-CB 3.28Å; S283-L287 WeakPolarHBondContact O-CG 3.26Å; S283-L287 PolarHBondContact O-N 3.28Å; K284-L287 PolarHBondContact O-N 3.4Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.44Å; L287-L290 PolarHBondContact O-N 3.33Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.37Å; L287-I291 PolarHBondContact O-N 3.31Å; L287-L335 HydrophobicContact CB-CD1 4.03Å; L287-L335 HydrophobicContact CD1-CD1 4.41Å
288V89.4Confident86.8Confident1 Ų117.7 Ų17.71%0.00611%0.11CC..Hα-helixtrans-58.3-47177.1170.70000110K284 L290 I291 L292 L332 L335 L336 W343 L348K284-V288 WeakPolarHBondContact O-CB 3.18Å; K284-V288 VanDerWaalsContact O-CG2 3.29Å; K284-V288 WeakPolarHBondContact O-CG2 3.37Å; K284-V288 PolarHBondContact O-N 2.95Å; V288-L290 PolarHBondContact O-N 2.97Å; V288-I291 PolarHBondContact O-N 3.19Å; V288-L292 HydrophobicContact CG1-CD1 3.81Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 3.19Å; V288-L332 HydrophobicContact CB-CD1 4.22Å; V288-L332 HydrophobicContact CG1-CD1 3.9Å; V288-L332 HydrophobicContact CG2-CD1 3.96Å; V288-L335 HydrophobicContact CG2-CB 4.26Å; V288-L335 HydrophobicContact CG2-CD1 4.29Å; V288-L336 HydrophobicContact CG1-CD2 4.32Å; V288-L336 HydrophobicContact CG2-CD2 4.37Å; V288-W343 HydrophobicContact CB-CH2 4.49Å; V288-W343 HydrophobicContact CB-CZ3 4.07Å; V288-W343 HydrophobicContact CG1-CH2 4.35Å; V288-W343 HydrophobicContact CG1-CZ3 4.21Å; V288-W343 HydrophobicContact CG2-CH2 3.94Å; V288-W343 HydrophobicContact CG2-CZ3 3.79Å; V288-L348 HydrophobicContact CG1-CD1 4.12Å; V288-L348 HydrophobicContact CG1-CD2 4.27Å
289R87.5Confident86.7Confident55 Ų5517.6 Ų17.621%0.20811%0.109CC..Hα-helixtrans-59.1-47.7177.9-165.6175.765.4174.43.9112.6E247 S285 L286 L287 S293 L348 V351E247-R289 VanDerWaalsContact CD-NH2 3.32Å; E247-R289 IonicContact OE1-NH2 2.68Å; E247-R289 IonicContact OE2-NH2 2.59Å; E247-R289 PolarHBondContact OE2-NH2 2.89Å; S285-R289 WeakPolarHBondContact O-CB 3.48Å; S285-R289 PolarHBondContact O-N 3.38Å; L286-R289 PolarHBondContact O-N 2.97Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.44Å; R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 VanDerWaalsContact O-N 3.09Å; R289-S293 PolarHBondContact O-OG 3.02Å; R289-L348 HydrophobicContact CB-CD1 3.72Å; R289-L348 HydrophobicContact CG-CD1 4.2Å; R289-V351 HydrophobicContact CG-CB 4.34Å; R289-V351 HydrophobicContact CG-CG1 4.11Å; R289-V351 HydrophobicContact CG-CG2 4.06Å
290L89.2Confident86.7Confident7 Ų717.8 Ų17.84%0.03710%0.102CC..Hα-helixtrans-62.2-48.6179.7-73.7169000110.9E247 L250 R251 L286 L287 V288 L292 S293 E294E247-L290 HydrophobicContact CG-CD1 4.42Å; E247-L290 HydrophobicContact CG-CD2 4.39Å; L250-L290 HydrophobicContact CB-CD1 3.71Å; R251-L290 HydrophobicContact CB-CD1 4.35Å; R251-L290 HydrophobicContact CB-CD2 4.28Å; L286-L290 WeakPolarHBondContact O-CB 3.43Å; L286-L290 VanDerWaalsContact O-CG 3.25Å; L286-L290 WeakPolarHBondContact O-CG 3.25Å; L286-L290 PolarHBondContact O-N 2.72Å; L287-L290 PolarHBondContact O-N 3.33Å; V288-L290 PolarHBondContact O-N 2.97Å; L290-L292 PolarHBondContact O-N 2.94Å; L290-S293 PolarHBondContact O-N 3.27Å; L290-S293 PolarHBondContact O-OG 2.91Å; L290-E294 WeakPolarHBondContact O-CG 3.26Å; L290-E294 PolarHBondContact O-N 2.73Å
291I90.2Very high86.7Confident0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-64.4-43.1-177.7-65.2168.1000111.1T254 L287 V288 S293 E294 I295 L328 V331 L332T254-I291 HydrophobicContact CG2-CG1 4.14Å; L287-I291 WeakPolarHBondContact O-CB 3.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.37Å; L287-I291 PolarHBondContact O-N 3.31Å; V288-I291 PolarHBondContact O-N 3.19Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 2.84Å; I291-E294 PolarHBondContact O-N 2.91Å; I291-I295 HydrophobicContact CG2-CD1 3.33Å; I291-I295 HydrophobicContact CG2-CG1 4.13Å; I291-I295 WeakPolarHBondContact O-CB 3.46Å; I291-I295 WeakPolarHBondContact O-CD1 3.46Å; I291-I295 WeakPolarHBondContact O-CG1 3.46Å; I291-I295 PolarHBondContact O-N 2.69Å; I291-L328 HydrophobicContact CG1-CD2 4.27Å; I291-L328 HydrophobicContact CG2-CB 4.06Å; I291-L328 HydrophobicContact CG2-CD1 4.47Å; I291-V331 HydrophobicContact CD1-CB 4.43Å; I291-V331 HydrophobicContact CD1-CG1 3.85Å; I291-L332 HydrophobicContact CG2-CB 3.97Å; I291-L332 HydrophobicContact CG2-CD2 4.05Å; I291-L332 HydrophobicContact CG2-CG 4.44Å
292L88.4Confident86.7Confident1 Ų119.4 Ų19.41%0.00510%0.103CC..Hα-helixtrans-60.6-41.4175.2-70.4174.8000112.2V288 L290 G296 L332 F355 I380 L384V288-L292 HydrophobicContact CG1-CD1 3.81Å; V288-L292 HydrophobicContact CG1-CG 4.31Å; V288-L292 WeakPolarHBondContact O-CB 3.25Å; V288-L292 WeakPolarHBondContact O-CG 3.43Å; V288-L292 PolarHBondContact O-N 3.19Å; L290-L292 PolarHBondContact O-N 2.94Å; L292-G296 PolarHBondContact O-N 3.45Å; L292-L332 HydrophobicContact CD2-CD2 3.56Å; L292-L332 HydrophobicContact CG-CD2 4.22Å; L292-F355 HydrophobicContact CB-CD2 4.21Å; L292-F355 HydrophobicContact CB-CG 4.44Å; L292-F355 HydrophobicContact CD2-CD1 3.73Å; L292-F355 HydrophobicContact CD2-CD2 4.14Å; L292-F355 HydrophobicContact CD2-CE1 3.56Å; L292-F355 HydrophobicContact CD2-CE2 3.99Å; L292-F355 HydrophobicContact CD2-CG 4Å; L292-F355 HydrophobicContact CD2-CZ 3.68Å; L292-F355 WeakPolarHBondContact O-CD2 3.39Å; L292-F355 WeakPolarHBondContact O-CE2 3.27Å; L292-I380 HydrophobicContact CD2-CG2 4.39Å; L292-L384 HydrophobicContact CD1-CD1 4.37Å; L292-L384 HydrophobicContact CD1-CD2 4.14Å; L292-L384 HydrophobicContact CD2-CD1 3.84Å
293S88.2Confident86.7Confident62 Ų6221.6 Ų21.643%0.43411%0.11SC..Hα-helixtrans-65.9-42.3177.668.70000112.6R289 L290 I291 G296 S297R289-S293 PolarHBondContact O-N 3.45Å; R289-S293 VanDerWaalsContact O-N 3.09Å; R289-S293 PolarHBondContact O-OG 3.02Å; L290-S293 PolarHBondContact O-N 3.27Å; L290-S293 PolarHBondContact O-OG 2.91Å; I291-S293 VanDerWaalsContact C-N 3.33Å; I291-S293 PolarHBondContact O-N 2.84Å; S293-G296 PolarHBondContact O-N 3.42Å; S293-S297 PolarHBondContact O-N 3.31Å
294E87.7Confident86.4Confident30 Ų3027 Ų2714%0.1414%0.136CC..Hα-helixtrans-67-46.8178.7-74.4-67.4163.400111.5L258 L290 I291 G296 S297 L298 R321L258-E294 HydrophobicContact CD1-CB 3.88Å; L258-E294 HydrophobicContact CD1-CG 4Å; L290-E294 WeakPolarHBondContact O-CG 3.26Å; L290-E294 PolarHBondContact O-N 2.73Å; I291-E294 PolarHBondContact O-N 2.91Å; E294-G296 VanDerWaalsContact C-N 3.31Å; E294-G296 PolarHBondContact O-N 3.04Å; E294-S297 PolarHBondContact O-N 3.48Å; E294-S297 PolarHBondContact O-OG 2.68Å; E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 3.48Å; E294-R321 IonicContact OE2-NH2 2.78Å
295I88Confident85.8Confident1 Ų128.9 Ų28.91%0.00515%0.148CC..Hα-helixtrans-63.6-40.1177.3-68.4165.1000110.6I291 L298 A299 L329 L332 F355 F373 M377I291-I295 HydrophobicContact CG2-CD1 3.33Å; I291-I295 HydrophobicContact CG2-CG1 4.13Å; I291-I295 WeakPolarHBondContact O-CB 3.46Å; I291-I295 WeakPolarHBondContact O-CD1 3.46Å; I291-I295 WeakPolarHBondContact O-CG1 3.46Å; I291-I295 PolarHBondContact O-N 2.69Å; I295-L298 PolarHBondContact O-N 3.18Å; I295-A299 WeakPolarHBondContact O-CB 3.4Å; I295-A299 PolarHBondContact O-N 3.41Å; I295-L329 HydrophobicContact CD1-CD2 3.59Å; I295-L329 HydrophobicContact CD1-CG 3.96Å; I295-L329 HydrophobicContact CG1-CD2 4.31Å; I295-L329 HydrophobicContact CG2-CD2 4.04Å; I295-L332 HydrophobicContact CD1-CD2 4.09Å; I295-F355 HydrophobicContact CG2-CE2 4.24Å; I295-F355 HydrophobicContact CG2-CZ 4.35Å; I295-F373 HydrophobicContact CG2-CE2 4.21Å; I295-F373 HydrophobicContact CG2-CZ 3.86Å; I295-M377 HydrophobicContact CG2-CE 4.01Å; I295-M377 HydrophobicContact CG2-SD 3.18Å; I295-M377 WeakPolarHBondContact CG2-SD 3.17Å
296G86.3Confident85.1Confident6 Ų629.5 Ų29.56%0.06215%0.152CC..Hα-helixtrans-56.9-51.5172.100000111L292 S293 E294 L298 A299 E300 R358L292-G296 PolarHBondContact O-N 3.45Å; S293-G296 PolarHBondContact O-N 3.42Å; E294-G296 VanDerWaalsContact C-N 3.31Å; E294-G296 PolarHBondContact O-N 3.04Å; G296-L298 VanDerWaalsContact C-N 3.26Å; G296-L298 PolarHBondContact O-N 3.24Å; G296-A299 PolarHBondContact O-N 3Å; G296-E300 PolarHBondContact O-N 3.11Å; G296-R358 VanDerWaalsContact C-NH2 3.3Å; G296-R358 PolarHBondContact O-NH2 2.88Å
297S86.4Confident84.4Confident37 Ų3735.1 Ų35.126%0.25918%0.179SC..Hα-helixtrans-59.4-38.6177.979.60000112.4S293 E294 E300 Q301S293-S297 PolarHBondContact O-N 3.31Å; E294-S297 PolarHBondContact O-N 3.48Å; E294-S297 PolarHBondContact O-OG 2.68Å; S297-E300 PolarHBondContact O-N 3.42Å; S297-Q301 WeakPolarHBondContact O-CG 3.45Å; S297-Q301 PolarHBondContact O-N 2.89Å
298L85.9Confident83.4Confident6 Ų639.5 Ų39.53%0.03121%0.205CC..Hα-helixtrans-68.1-40.9178.3-173.3131.9000111.9E294 I295 G296 E300 Q301 L302 R321 F373E294-L298 WeakPolarHBondContact O-CB 3.41Å; E294-L298 PolarHBondContact O-N 3.48Å; I295-L298 PolarHBondContact O-N 3.18Å; G296-L298 VanDerWaalsContact C-N 3.26Å; G296-L298 PolarHBondContact O-N 3.24Å; L298-E300 VanDerWaalsContact C-N 3.31Å; L298-E300 PolarHBondContact O-N 2.96Å; L298-Q301 PolarHBondContact O-N 3.49Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; L298-L302 HydrophobicContact CD2-CD1 3.6Å; L298-L302 HydrophobicContact CD2-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4.49Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.85Å; L298-R321 HydrophobicContact CD1-CB 4.26Å; L298-R321 HydrophobicContact CD1-CG 3.64Å; L298-F373 HydrophobicContact CD2-CD2 4.09Å; L298-F373 HydrophobicContact CD2-CE2 3.36Å; L298-F373 HydrophobicContact CD2-CZ 3.67Å
299A84.7Confident81.6Confident1 Ų146.8 Ų46.81%0.00824%0.239CC..Hα-helixtrans-60.2-40.417600000112.1I295 G296 W303 L362 L366 F373I295-A299 WeakPolarHBondContact O-CB 3.4Å; I295-A299 PolarHBondContact O-N 3.41Å; G296-A299 PolarHBondContact O-N 3Å; A299-W303 WeakPolarHBondContact O-CB 3.5Å; A299-W303 PolarHBondContact O-N 3.37Å; A299-L362 HydrophobicContact CB-CD1 3.81Å; A299-L366 HydrophobicContact CB-CD1 4.08Å; A299-F373 HydrophobicContact CB-CE1 3.66Å; A299-F373 HydrophobicContact CB-CZ 3.92Å
300E84.9Confident79.7Confident82 Ų8251.9 Ų51.938%0.38327%0.265SS..Hα-helixtrans-64.3-45.5172.1-88.9169.1174.800111.6G296 S297 L298 L302 W303 Q304 R358 L362G296-E300 PolarHBondContact O-N 3.11Å; S297-E300 PolarHBondContact O-N 3.42Å; L298-E300 VanDerWaalsContact C-N 3.31Å; L298-E300 PolarHBondContact O-N 2.96Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.45Å; E300-W303 WeakPolarHBondContact O-CB 3.45Å; E300-W303 PolarHBondContact O-N 3.45Å; E300-Q304 VanDerWaalsContact O-CG 3.28Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.46Å; E300-R358 VanDerWaalsContact CD-NH2 3.34Å; E300-R358 VanDerWaalsContact CG-CZ 3.47Å; E300-R358 VanDerWaalsContact CG-NH2 3.27Å; E300-R358 IonicContact OE1-CZ 3.01Å; E300-R358 IonicContact OE1-NE 3.23Å; E300-R358 PolarHBondContact OE1-NE 3.47Å; E300-R358 IonicContact OE1-NH1 3.31Å; E300-R358 PolarHBondContact OE1-NH1 2.91Å; E300-R358 IonicContact OE1-NH2 3.45Å; E300-R358 PolarHBondContact OE1-NH2 3.42Å; E300-R358 IonicContact OE2-CZ 2.64Å; E300-R358 IonicContact OE2-NH1 3.49Å; E300-R358 PolarHBondContact OE2-NH1 3.49Å; E300-R358 IonicContact OE2-NH2 3.32Å; E300-L362 HydrophobicContact CG-CD1 4.42Å
301Q83.6Confident77.7Confident87 Ų8757.4 Ų57.441%0.40730%0.304SS..Hα-helixtrans-61.4-43.7179.6-73.6178.6-37.300111.7S297 L298 W303 Q304 T305S297-Q301 WeakPolarHBondContact O-CG 3.45Å; S297-Q301 PolarHBondContact O-N 2.89Å; L298-Q301 PolarHBondContact O-N 3.49Å; L298-Q301 VanDerWaalsContact O-N 3.14Å; Q301-W303 VanDerWaalsContact C-N 3.32Å; Q301-W303 PolarHBondContact O-N 3.14Å; Q301-Q304 PolarHBondContact O-N 3.32Å; Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.29Å; Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.37Å; Q301-T305 VanDerWaalsContact O-OG1 3.07Å
302L80.9Confident75.8Confident3 Ų361.3 Ų61.32%0.01633%0.332CS..Hα-helixtrans-58.2-45.7174.6-70.1177.6000111.1L298 E300 T305 S306 F317 Y322 L366 F370 F373L298-L302 HydrophobicContact CD2-CD1 3.6Å; L298-L302 HydrophobicContact CD2-CG 4.07Å; L298-L302 HydrophobicContact CG-CD1 4.49Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 VanDerWaalsContact O-CG 3.31Å; L298-L302 WeakPolarHBondContact O-CG 3.37Å; L298-L302 PolarHBondContact O-N 2.85Å; E300-L302 VanDerWaalsContact C-N 3.33Å; E300-L302 PolarHBondContact O-N 3.45Å; L302-T305 WeakPolarHBondContact CA-OG1 3.25Å; L302-T305 PolarHBondContact O-N 3.08Å; L302-T305 PolarHBondContact O-OG1 3.26Å; L302-S306 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-OG 2.83Å; L302-F317 HydrophobicContact CD2-CE2 3.48Å; L302-F317 VanDerWaalsContact CD2-CE2 3.48Å; L302-F317 HydrophobicContact CD2-CZ 3.55Å; L302-Y322 HydrophobicContact CD1-CD2 3.84Å; L302-Y322 HydrophobicContact CD1-CE2 4.2Å; L302-Y322 HydrophobicContact CD2-CD2 3.99Å; L302-L366 HydrophobicContact CB-CD2 3.83Å; L302-F370 HydrophobicContact CB-CD2 4.2Å; L302-F370 HydrophobicContact CB-CE2 4.06Å; L302-F370 HydrophobicContact CD2-CE1 4.2Å; L302-F370 HydrophobicContact CD2-CE2 4.32Å; L302-F370 HydrophobicContact CD2-CZ 4.08Å; L302-F373 HydrophobicContact CD1-CD1 3.94Å; L302-F373 HydrophobicContact CD1-CD2 4.22Å; L302-F373 HydrophobicContact CD1-CE1 4.07Å; L302-F373 HydrophobicContact CD1-CE2 4.36Å; L302-F373 HydrophobicContact CD1-CG 4.01Å; L302-F373 HydrophobicContact CD1-CZ 4.28Å
303W80.5Confident74Confident54 Ų5462.9 Ų62.921%0.20535%0.345CS..Hα-helixtrans-63.1-44.3177.6172.9-114.9000112.4A299 E300 Q301 T305 S306 Q307 L362 L365 L366A299-W303 WeakPolarHBondContact O-CB 3.5Å; A299-W303 PolarHBondContact O-N 3.37Å; E300-W303 WeakPolarHBondContact O-CB 3.45Å; E300-W303 PolarHBondContact O-N 3.45Å; Q301-W303 VanDerWaalsContact C-N 3.32Å; Q301-W303 PolarHBondContact O-N 3.14Å; W303-T305 VanDerWaalsContact C-N 3.32Å; W303-T305 PolarHBondContact O-N 3.03Å; W303-S306 WeakPolarHBondContact CA-OG 3.25Å; W303-S306 PolarHBondContact O-N 3.3Å; W303-S306 PolarHBondContact O-OG 3.45Å; W303-Q307 HydrophobicContact CD2-CG 4.22Å; W303-Q307 HydrophobicContact CE3-CG 4.47Å; W303-Q307 HydrophobicContact CH2-CG 4.12Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.3Å; W303-Q307 VanDerWaalsContact CZ2-CD 3.49Å; W303-Q307 HydrophobicContact CZ2-CG 3.85Å; W303-Q307 HydrophobicContact CZ3-CG 4.41Å; W303-Q307 VanDerWaalsContact O-CG 3.25Å; W303-Q307 WeakPolarHBondContact O-CG 3.4Å; W303-Q307 PolarHBondContact O-N 2.82Å; W303-L362 HydrophobicContact CB-CD2 4.12Å; W303-L362 HydrophobicContact CG-CD2 4.08Å; W303-L365 HydrophobicContact CD2-CB 4.27Å; W303-L365 HydrophobicContact CD2-CD1 4.34Å; W303-L365 HydrophobicContact CE3-CB 3.71Å; W303-L365 HydrophobicContact CH2-CB 3.99Å; W303-L365 HydrophobicContact CH2-CD1 4.14Å; W303-L365 HydrophobicContact CH2-CD2 3.73Å; W303-L365 HydrophobicContact CH2-CG 4.17Å; W303-L365 HydrophobicContact CZ2-CD1 3.91Å; W303-L365 HydrophobicContact CZ2-CD2 4.21Å; W303-L365 HydrophobicContact CZ2-CG 4.44Å; W303-L365 HydrophobicContact CZ3-CB 3.57Å; W303-L365 HydrophobicContact CZ3-CD1 4.45Å; W303-L365 HydrophobicContact CZ3-CD2 4.15Å; W303-L365 HydrophobicContact CZ3-CG 4.26Å; W303-L366 HydrophobicContact CB-CD2 3.99Å
304Q81.3Confident72Confident115 Ų11567.7 Ų67.754%0.53737%0.365SS..Hα-helixtrans-65.2-38.6176.8-65-59.2-20.800111.3E300 Q301 Q307 V308E300-Q304 VanDerWaalsContact O-CG 3.28Å; E300-Q304 WeakPolarHBondContact O-CG 3.38Å; E300-Q304 PolarHBondContact O-N 3.46Å; Q301-Q304 PolarHBondContact O-N 3.32Å; Q304-Q307 PolarHBondContact O-N 3.21Å; Q304-V308 WeakPolarHBondContact O-CG2 3.35Å; Q304-V308 PolarHBondContact O-N 3.24Å
305T75.1Confident70.1Confident49 Ų4977.7 Ų77.730%0.30140%0.401SS..Hα-helixtrans-68.7-31.7176.954.40000113.2Q301 L302 W303 Q307Q301-T305 VanDerWaalsContact O-CG2 3.32Å; Q301-T305 WeakPolarHBondContact O-CG2 3.29Å; Q301-T305 PolarHBondContact O-N 3.13Å; Q301-T305 PolarHBondContact O-OG1 3.37Å; Q301-T305 VanDerWaalsContact O-OG1 3.07Å; L302-T305 WeakPolarHBondContact CA-OG1 3.25Å; L302-T305 PolarHBondContact O-N 3.08Å; L302-T305 PolarHBondContact O-OG1 3.26Å; W303-T305 VanDerWaalsContact C-N 3.32Å; W303-T305 PolarHBondContact O-N 3.03Å; T305-Q307 VanDerWaalsContact C-N 3.3Å
306S73.1Confident68.6Low21 Ų2183 Ų8315%0.14743%0.434CS..Hα-helixtrans-72.5-24.2175.557.10000113L302 W303L302-S306 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-OG 2.83Å; W303-S306 WeakPolarHBondContact CA-OG 3.25Å; W303-S306 PolarHBondContact O-N 3.3Å; W303-S306 PolarHBondContact O-OG 3.45Å
307Q71.9Confident67.5Low120 Ų12085.3 Ų85.356%0.56144%0.442SS*.Hα-helixtrans-79.7-21.6178-66-73.792.500113.1W303 Q304 T305 Q309W303-Q307 HydrophobicContact CD2-CG 4.22Å; W303-Q307 HydrophobicContact CE3-CG 4.47Å; W303-Q307 HydrophobicContact CH2-CG 4.12Å; W303-Q307 VanDerWaalsContact CH2-OE1 3.3Å; W303-Q307 VanDerWaalsContact CZ2-CD 3.49Å; W303-Q307 HydrophobicContact CZ2-CG 3.85Å; W303-Q307 HydrophobicContact CZ3-CG 4.41Å; W303-Q307 VanDerWaalsContact O-CG 3.25Å; W303-Q307 WeakPolarHBondContact O-CG 3.4Å; W303-Q307 PolarHBondContact O-N 2.82Å; Q304-Q307 PolarHBondContact O-N 3.21Å; T305-Q307 VanDerWaalsContact C-N 3.3Å; Q307-Q309 PolarHBondContact O-N 3.07Å
308V68Low66.7Low91 Ų9186.2 Ų86.255%0.55245%0.447SS*.  trans-93.773.2-177.7-175.30000109.9Q304 A313Q304-V308 WeakPolarHBondContact O-CG2 3.35Å; Q304-V308 PolarHBondContact O-N 3.24Å; V308-A313 WeakPolarHBondContact O-CB 3.32Å
309Q52.1Low66.2Low155 Ų15590 Ų9072%0.72447%0.467SS*.  trans-87.1108.9172.7-161.8100.1-0.400109.3Q307Q307-Q309 PolarHBondContact O-N 3.07Å
310E47.6Very low65.8Low161 Ų16193.8 Ų93.875%0.75249%0.487SS*.SBendtrans172.9103.2139.4-93.6165.1-158.900110.4S312E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.87Å
311S47.4Very low65.5Low123 Ų12391.9 Ų91.986%0.8648%0.476SS*.SBendtrans66.5-19.5161.366.90000121.1
312S50.6Low65.3Low83 Ų8389 Ų8958%0.5846%0.462SS*.SBendtrans-110.7-23.4-179.953.40000115.1E310 L314E310-S312 VanDerWaalsContact C-N 3.32Å; E310-S312 PolarHBondContact O-N 2.87Å; S312-L314 PolarHBondContact O-N 2.98Å
313A49.2Very low65.2Low33 Ų3391 Ų9127%0.27347%0.471SS..G310 helixtrans-70.2-30.2-177.200000114.4V308 R315 T316 F317V308-A313 WeakPolarHBondContact O-CB 3.32Å; A313-R315 PolarHBondContact O-N 3.33Å; A313-T316 PolarHBondContact O-N 3.48Å; A313-T316 VanDerWaalsContact O-N 3.11Å; A313-F317 PolarHBondContact O-N 3.37Å
314L47.3Very low65.3Low163 Ų16388.4 Ų88.485%0.85346%0.461SS*.G310 helixtrans-67-17.6-179.8-76.7167.2000114.1S312S312-L314 PolarHBondContact O-N 2.98Å
315R46.8Very low65.5Low241 Ų24183 Ų8391%0.90944%0.436SS*.G310 helixtrans-89.9-11.2174.5-77.1-168.7171.9-173.6-1.2113.8A313A313-R315 PolarHBondContact O-N 3.33Å
316T56.3Low65.8Low112 Ų11281.4 Ų81.469%0.68743%0.427SS*.SBendtrans-123.515-174.6-35.60000111.6A313 P318A313-T316 PolarHBondContact O-N 3.48Å; A313-T316 VanDerWaalsContact O-N 3.11Å; T316-P318 WeakPolarHBondContact O-CD 3.46Å
317F64.6Low66.2Low55 Ų5581.3 Ų81.324%0.24142%0.424CS..  trans-69.6120.5171.7-176.6-102.7000108.5L302 A313 L319 Y322 F370L302-F317 HydrophobicContact CD2-CE2 3.48Å; L302-F317 VanDerWaalsContact CD2-CE2 3.48Å; L302-F317 HydrophobicContact CD2-CZ 3.55Å; A313-F317 PolarHBondContact O-N 3.37Å; F317-L319 HydrophobicContact CD1-CB 4.04Å; F317-L319 HydrophobicContact CD1-CD1 4.31Å; F317-L319 HydrophobicContact CE1-CB 4.36Å; F317-L319 HydrophobicContact CE1-CD1 4.03Å; F317-L319 PolarHBondContact O-N 3.18Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; F317-Y322 HydrophobicContact CZ-CD2 4.4Å; F317-Y322 HydrophobicContact CZ-CG 4.26Å; F317-F370 HydrophobicContact CD2-CZ 4.41Å; F317-F370 HydrophobicContact CE1-CE1 4.3Å; F317-F370 AromaticContact CE2-CE1 3.56Å; F317-F370 HydrophobicContact CE2-CE1 3.56Å; F317-F370 AromaticContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CE2-CZ 3.41Å; F317-F370 VanDerWaalsContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CZ-CD1 4.29Å; F317-F370 AromaticContact CZ-CE1 3.31Å; F317-F370 HydrophobicContact CZ-CE1 3.31Å; F317-F370 AromaticContact CZ-CZ 3.73Å; F317-F370 HydrophobicContact CZ-CZ 3.73Å
318P69.6Low66.9Low55 Ų5575.6 Ų75.636%0.35740%0.397SS..  trans-76.470.5-178.133-35.2000109.9T316 D320 R321 Y322T316-P318 WeakPolarHBondContact O-CD 3.46Å; P318-D320 PolarHBondContact O-N 3.47Å; P318-R321 HydrophobicContact CB-CB 3.96Å; P318-R321 WeakPolarHBondContact O-CB 3.28Å; P318-R321 PolarHBondContact O-N 2.97Å; P318-Y322 PolarHBondContact O-N 3.23Å
319L75.1Confident67.7Low86 Ų8671.3 Ų71.345%0.4537%0.371SS..Hα-helixtrans-55.8-42.8-177.6-177.362.7000110.9F317 R321 Y322 Q323F317-L319 HydrophobicContact CD1-CB 4.04Å; F317-L319 HydrophobicContact CD1-CD1 4.31Å; F317-L319 HydrophobicContact CE1-CB 4.36Å; F317-L319 HydrophobicContact CE1-CD1 4.03Å; F317-L319 PolarHBondContact O-N 3.18Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 3.33Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 3.46Å; L319-Q323 HydrophobicContact CD1-CG 4.29Å; L319-Q323 HydrophobicContact CG-CG 4.34Å; L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.36Å; L319-Q323 PolarHBondContact O-N 3.07Å
320D75.6Confident69.4Low81 Ų8166.7 Ų66.743%0.43335%0.347SS..Hα-helixtrans-58-43.6177.4-56.8-34.1000111P318 Q323 N324P318-D320 PolarHBondContact O-N 3.47Å; D320-Q323 PolarHBondContact O-N 3.47Å; D320-N324 WeakPolarHBondContact O-CB 3.44Å; D320-N324 PolarHBondContact O-N 2.81Å; D320-N324 PolarHBondContact O-ND2 3.26Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å
321R79.3Confident71.2Confident42 Ų4259 Ų5916%0.15831%0.312CS..Hα-helixtrans-69.5-38.1-179.4-153.7-177.1178.2-167.4-7.9111.7L258 E294 L298 P318 L319 S325L258-R321 HydrophobicContact CD2-CG 4.4Å; E294-R321 IonicContact OE2-NH2 2.78Å; L298-R321 HydrophobicContact CD1-CB 4.26Å; L298-R321 HydrophobicContact CD1-CG 3.64Å; P318-R321 HydrophobicContact CB-CB 3.96Å; P318-R321 WeakPolarHBondContact O-CB 3.28Å; P318-R321 PolarHBondContact O-N 2.97Å; L319-R321 VanDerWaalsContact C-N 3.28Å; L319-R321 PolarHBondContact O-N 3.33Å; R321-S325 WeakPolarHBondContact O-CB 3.5Å; R321-S325 PolarHBondContact O-N 3.27Å
322Y79.1Confident73.2Confident26 Ų2653.2 Ų53.210%0.10227%0.271CS..Hα-helixtrans-61.3-49.1172.4173.7-96.6000111.3L302 F317 P318 L319 S325 F370 F373L302-Y322 HydrophobicContact CD1-CD2 3.84Å; L302-Y322 HydrophobicContact CD1-CE2 4.2Å; L302-Y322 HydrophobicContact CD2-CD2 3.99Å; F317-Y322 HydrophobicContact CE1-CG 4.4Å; F317-Y322 HydrophobicContact CZ-CD2 4.4Å; F317-Y322 HydrophobicContact CZ-CG 4.26Å; P318-Y322 PolarHBondContact O-N 3.23Å; L319-Y322 WeakPolarHBondContact O-CB 3.45Å; L319-Y322 PolarHBondContact O-N 3.46Å; Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 3.05Å; Y322-S325 PolarHBondContact O-OG 3.21Å; Y322-F370 HydrophobicContact CD2-CD1 4.22Å; Y322-F370 HydrophobicContact CE2-CB 4.2Å; Y322-F370 AromaticContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CG 4.25Å; Y322-F373 HydrophobicContact CE2-CB 3.68Å; Y322-F373 HydrophobicContact CE2-CD2 4.48Å; Y322-F373 HydrophobicContact CE2-CG 4.33Å
323Q78.9Confident74.9Confident44 Ų4450.2 Ų50.221%0.20625%0.247CC..Hα-helixtrans-63.1-45.4179-68.3-178.5-10.500111.7F132 L319 D320 S325 C326F132-Q323 HydrophobicContact CE1-CB 4.47Å; F132-Q323 HydrophobicContact CE1-CG 4.28Å; F132-Q323 HydrophobicContact CZ-CG 4Å; L319-Q323 HydrophobicContact CD1-CG 4.29Å; L319-Q323 HydrophobicContact CG-CG 4.34Å; L319-Q323 VanDerWaalsContact O-CG 3.27Å; L319-Q323 WeakPolarHBondContact O-CG 3.36Å; L319-Q323 PolarHBondContact O-N 3.07Å; D320-Q323 PolarHBondContact O-N 3.47Å; Q323-S325 PolarHBondContact O-N 3.38Å; Q323-C326 VanDerWaalsContact O-CB 3.31Å; Q323-C326 WeakPolarHBondContact O-CB 3.48Å; Q323-C326 PolarHBondContact O-N 3.49Å; Q323-C326 VanDerWaalsContact O-N 3.15Å
324N83.2Confident76.7Confident1 Ų155.1 Ų55.11%0.00526%0.259CS..Hα-helixtrans-65.6-27.4178.4-68.4-21.8000112.6L257 L258 S260 D320 C326 H327 L328L257-N324 VanDerWaalsContact O-CB 3.27Å; L257-N324 WeakPolarHBondContact O-CB 3.34Å; L257-N324 VanDerWaalsContact O-CG 3.29Å; L257-N324 PolarHBondContact O-ND2 3.36Å; L258-N324 WeakPolarHBondContact O-CB 3.5Å; L258-N324 PolarHBondContact O-ND2 2.92Å; S260-N324 PolarHBondContact O-ND2 3.26Å; S260-N324 PolarHBondContact OG-ND2 3.45Å; D320-N324 WeakPolarHBondContact O-CB 3.44Å; D320-N324 PolarHBondContact O-N 2.81Å; D320-N324 PolarHBondContact O-ND2 3.26Å; D320-N324 VanDerWaalsContact O-ND2 3.09Å; N324-C326 PolarHBondContact O-N 3.11Å; N324-H327 WeakPolarHBondContact O-CB 3.34Å; N324-H327 PolarHBondContact O-N 3.22Å; N324-H327 VanDerWaalsContact O-N 3.07Å; N324-L328 PolarHBondContact O-N 2.77Å
325S85.1Confident78.5Confident0 Ų047.7 Ų47.70%022%0.22CC..Hα-helixtrans-61.3-31.517582.30000112.5R321 Y322 Q323 H327 L328 L329R321-S325 WeakPolarHBondContact O-CB 3.5Å; R321-S325 PolarHBondContact O-N 3.27Å; Y322-S325 WeakPolarHBondContact O-CB 3.32Å; Y322-S325 PolarHBondContact O-N 3.05Å; Y322-S325 PolarHBondContact O-OG 3.21Å; Q323-S325 PolarHBondContact O-N 3.38Å; S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.91Å; S325-L328 PolarHBondContact O-N 3.07Å; S325-L328 VanDerWaalsContact O-N 3.12Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å; S325-L329 VanDerWaalsContact O-CG 3.29Å; S325-L329 WeakPolarHBondContact O-CG 3.33Å; S325-L329 PolarHBondContact O-N 2.95Å
326C80.9Confident80.2Confident17 Ų1736.8 Ų36.812%0.11518%0.18CC..Hα-helixtrans-61.7-35.4174.7-64.40000111.9Q323 N324 W330 L376Q323-C326 VanDerWaalsContact O-CB 3.31Å; Q323-C326 WeakPolarHBondContact O-CB 3.48Å; Q323-C326 PolarHBondContact O-N 3.49Å; Q323-C326 VanDerWaalsContact O-N 3.15Å; N324-C326 PolarHBondContact O-N 3.11Å; C326-W330 WeakPolarHBondContact O-CB 3.45Å; C326-W330 PolarHBondContact O-N 2.95Å; C326-L376 HydrophobicContact CB-CD1 4.35Å
327H82.6Confident81.4Confident19 Ų1934.7 Ų34.79%0.08817%0.17CC..Hα-helixtrans-67.4-39.7174.7-62.3-57.8000111.6L257 E268 N324 S325 W330 V331L257-H327 HydrophobicContact CD1-CB 4.42Å; L257-H327 HydrophobicContact CD2-CB 3.82Å; L257-H327 HydrophobicContact CG-CB 4.29Å; E268-H327 IonicContact OE1-CE1 2.82Å; E268-H327 PolarHBondContact OE1-CE1 3.33Å; E268-H327 VanDerWaalsContact OE1-CE1 3.3Å; E268-H327 IonicContact OE1-ND1 3.85Å; N324-H327 WeakPolarHBondContact O-CB 3.34Å; N324-H327 PolarHBondContact O-N 3.22Å; N324-H327 VanDerWaalsContact O-N 3.07Å; S325-H327 VanDerWaalsContact C-N 3.26Å; S325-H327 PolarHBondContact O-N 2.91Å; H327-W330 WeakPolarHBondContact O-CB 3.2Å; H327-W330 PolarHBondContact O-N 3.47Å; H327-V331 WeakPolarHBondContact O-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.28Å
328L86.4Confident81.9Confident0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-67.2-42.9174.7-75.6-167.9000113.1T254 L257 L258 L274 I291 N324 S325 W330 V331 L332T254-L328 HydrophobicContact CG2-CD1 3.84Å; T254-L328 HydrophobicContact CG2-CD2 3.75Å; L257-L328 HydrophobicContact CB-CD2 4.48Å; L257-L328 HydrophobicContact CD2-CD2 3.5Å; L257-L328 VanDerWaalsContact CD2-CD2 3.5Å; L257-L328 HydrophobicContact CD2-CG 4.04Å; L257-L328 HydrophobicContact CG-CD2 4.48Å; L258-L328 HydrophobicContact CD1-CD1 3.55Å; L258-L328 HydrophobicContact CD2-CD1 3.53Å; L258-L328 HydrophobicContact CD2-CG 4.18Å; L258-L328 HydrophobicContact CG-CD1 3.41Å; L258-L328 VanDerWaalsContact CG-CD1 3.41Å; L258-L328 HydrophobicContact CG-CG 4.19Å; L274-L328 HydrophobicContact CD1-CD2 4.5Å; I291-L328 HydrophobicContact CG1-CD2 4.27Å; I291-L328 HydrophobicContact CG2-CB 4.06Å; I291-L328 HydrophobicContact CG2-CD1 4.47Å; N324-L328 PolarHBondContact O-N 2.77Å; S325-L328 PolarHBondContact O-N 3.07Å; S325-L328 VanDerWaalsContact O-N 3.12Å; L328-W330 PolarHBondContact O-N 2.79Å; L328-V331 PolarHBondContact O-N 2.96Å; L328-L332 WeakPolarHBondContact O-CB 3.28Å; L328-L332 PolarHBondContact O-N 3.32Å
329L85.2Confident81.6Confident1 Ų137.9 Ų37.91%0.00520%0.197CC..Hα-helixtrans-58.3-39.5174.5-69.5159.4000110.1I295 S325 L332 E333 F373 L376 M377 I380I295-L329 HydrophobicContact CD1-CD2 3.59Å; I295-L329 HydrophobicContact CD1-CG 3.96Å; I295-L329 HydrophobicContact CG1-CD2 4.31Å; I295-L329 HydrophobicContact CG2-CD2 4.04Å; S325-L329 WeakPolarHBondContact O-CD1 3.35Å; S325-L329 VanDerWaalsContact O-CG 3.29Å; S325-L329 WeakPolarHBondContact O-CG 3.33Å; S325-L329 PolarHBondContact O-N 2.95Å; L329-L332 PolarHBondContact O-N 3.39Å; L329-E333 WeakPolarHBondContact O-CB 3.12Å; L329-E333 PolarHBondContact O-N 2.85Å; L329-F373 HydrophobicContact CD1-CD2 3.94Å; L329-F373 HydrophobicContact CD1-CE2 4.02Å; L329-L376 HydrophobicContact CB-CB 4.33Å; L329-L376 HydrophobicContact CB-CD1 4.38Å; L329-L376 HydrophobicContact CD1-CB 3.79Å; L329-L376 HydrophobicContact CD1-CD1 3.81Å; L329-L376 HydrophobicContact CD1-CG 4.47Å; L329-L376 HydrophobicContact CD2-CB 4.39Å; L329-L376 HydrophobicContact CG-CB 4.41Å; L329-M377 HydrophobicContact CD2-CG 4.46Å; L329-M377 HydrophobicContact CD2-SD 4.05Å; L329-I380 HydrophobicContact CB-CD1 3.87Å; L329-I380 HydrophobicContact CD2-CD1 3.23Å; L329-I380 HydrophobicContact CG-CD1 4.15Å
330W86.1Confident81.3Confident58 Ų5838.3 Ų38.322%0.2220%0.2CC..Hα-helixtrans-65.6-44.6173.9-177.894.1000113.2K271 V275 C326 H327 L328 L332 E333 R334K271-W330 HydrophobicContact CB-CE3 4.45Å; K271-W330 HydrophobicContact CB-CZ3 4.43Å; K271-W330 HydrophobicContact CD-CE3 3.95Å; K271-W330 HydrophobicContact CD-CZ3 4.11Å; K271-W330 HydrophobicContact CG-CE3 4.37Å; K271-W330 HydrophobicContact CG-CZ3 4.18Å; V275-W330 HydrophobicContact CG2-CE3 4.41Å; V275-W330 HydrophobicContact CG2-CH2 4.37Å; V275-W330 HydrophobicContact CG2-CZ3 3.69Å; C326-W330 WeakPolarHBondContact O-CB 3.45Å; C326-W330 PolarHBondContact O-N 2.95Å; H327-W330 WeakPolarHBondContact O-CB 3.2Å; H327-W330 PolarHBondContact O-N 3.47Å; L328-W330 PolarHBondContact O-N 2.79Å; W330-L332 VanDerWaalsContact C-N 3.3Å; W330-L332 PolarHBondContact O-N 3.08Å; W330-E333 PolarHBondContact O-N 3.4Å; W330-R334 HydrophobicContact CD2-CG 4.07Å; W330-R334 HydrophobicContact CE3-CG 4.17Å; W330-R334 HydrophobicContact CH2-CG 3.93Å; W330-R334 HydrophobicContact CZ2-CG 3.81Å; W330-R334 HydrophobicContact CZ3-CG 4.11Å; W330-R334 WeakPolarHBondContact O-CG 3.45Å; W330-R334 PolarHBondContact O-N 2.78Å
331V87.1Confident81Confident0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-58.4-47175.3171.20000109.6K271 L274 V275 I291 H327 L328 E333 R334 L335K271-V331 HydrophobicContact CB-CG2 3.7Å; L274-V331 HydrophobicContact CB-CG1 4.11Å; L274-V331 HydrophobicContact CB-CG2 4.4Å; V275-V331 HydrophobicContact CG2-CB 4.32Å; V275-V331 HydrophobicContact CG2-CG1 4.01Å; V275-V331 HydrophobicContact CG2-CG2 4.16Å; I291-V331 HydrophobicContact CD1-CB 4.43Å; I291-V331 HydrophobicContact CD1-CG1 3.85Å; H327-V331 WeakPolarHBondContact O-CG2 3.41Å; H327-V331 PolarHBondContact O-N 3.28Å; L328-V331 PolarHBondContact O-N 2.96Å; V331-E333 PolarHBondContact O-N 2.91Å; V331-R334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.33Å; V331-L335 WeakPolarHBondContact O-CG 3.16Å; V331-L335 PolarHBondContact O-N 3.32Å
332L87.9Confident80.6Confident0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-60.7-45.5179.2-177.458.8000111.6V288 I291 L292 I295 L328 L329 W330 R334 L335 L336 I380V288-L332 HydrophobicContact CB-CD1 4.22Å; V288-L332 HydrophobicContact CG1-CD1 3.9Å; V288-L332 HydrophobicContact CG2-CD1 3.96Å; I291-L332 HydrophobicContact CG2-CB 3.97Å; I291-L332 HydrophobicContact CG2-CD2 4.05Å; I291-L332 HydrophobicContact CG2-CG 4.44Å; L292-L332 HydrophobicContact CD2-CD2 3.56Å; L292-L332 HydrophobicContact CG-CD2 4.22Å; I295-L332 HydrophobicContact CD1-CD2 4.09Å; L328-L332 WeakPolarHBondContact O-CB 3.28Å; L328-L332 PolarHBondContact O-N 3.32Å; L329-L332 PolarHBondContact O-N 3.39Å; W330-L332 VanDerWaalsContact C-N 3.3Å; W330-L332 PolarHBondContact O-N 3.08Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.38Å; L332-L335 PolarHBondContact O-N 2.71Å; L332-L336 HydrophobicContact CD1-CD1 3.87Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CB 3.11Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.49Å; L332-L336 PolarHBondContact O-N 3.34Å; L332-I380 HydrophobicContact CB-CD1 4.38Å; L332-I380 HydrophobicContact CD2-CD1 3.89Å; L332-I380 HydrophobicContact CD2-CG1 4.24Å; L332-I380 HydrophobicContact CD2-CG2 3.57Å; L332-I380 HydrophobicContact CG-CD1 4.3Å; L332-I380 HydrophobicContact CG-CG1 4.39Å; L332-I380 HydrophobicContact CG-CG2 4.2Å
333E86Confident80.2Confident20 Ų2042.3 Ų42.39%0.09323%0.226CC..Hα-helixtrans-56.9-43.5175.6-163.5-166.2135.300111.6L329 W330 V331 L336 S337 R379 L383L329-E333 WeakPolarHBondContact O-CB 3.12Å; L329-E333 PolarHBondContact O-N 2.85Å; W330-E333 PolarHBondContact O-N 3.4Å; V331-E333 PolarHBondContact O-N 2.91Å; E333-L336 PolarHBondContact O-N 3.45Å; E333-S337 VanDerWaalsContact O-CB 3.3Å; E333-S337 WeakPolarHBondContact O-CB 3.4Å; E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 PolarHBondContact O-OG 3.26Å; E333-R379 IonicContact OE1-CZ 3.34Å; E333-R379 IonicContact OE1-NE 3.61Å; E333-R379 PolarHBondContact OE1-NE 2.82Å; E333-R379 IonicContact OE1-NH1 3.47Å; E333-R379 PolarHBondContact OE1-NH1 2.83Å; E333-R379 IonicContact OE1-NH2 2.78Å; E333-R379 PolarHBondContact OE1-NH2 3.34Å; E333-R379 IonicContact OE2-CZ 4Å; E333-R379 VanDerWaalsContact OE2-CZ 3.22Å; E333-R379 IonicContact OE2-NE 3.81Å; E333-R379 PolarHBondContact OE2-NE 3Å; E333-R379 IonicContact OE2-NH1 3.83Å; E333-R379 PolarHBondContact OE2-NH1 2.89Å; E333-R379 IonicContact OE2-NH2 3.05Å; E333-L383 HydrophobicContact CG-CD1 3.65Å
334R87.3Confident79.7Confident137 Ų13742.5 Ų42.552%0.51723%0.225SC..Hα-helixtrans-66.3-40.2178.7-69.7-71.7166.1175.3-4.8112.6V275 W330 V331 L332V275-R334 HydrophobicContact CG1-CB 4.39Å; V275-R334 HydrophobicContact CG2-CB 4.06Å; W330-R334 HydrophobicContact CD2-CG 4.07Å; W330-R334 HydrophobicContact CE3-CG 4.17Å; W330-R334 HydrophobicContact CH2-CG 3.93Å; W330-R334 HydrophobicContact CZ2-CG 3.81Å; W330-R334 HydrophobicContact CZ3-CG 4.11Å; W330-R334 WeakPolarHBondContact O-CG 3.45Å; W330-R334 PolarHBondContact O-N 2.78Å; V331-R334 PolarHBondContact O-N 3.11Å; L332-R334 VanDerWaalsContact C-N 3.29Å; L332-R334 PolarHBondContact O-N 3.38Å
335L85.8Confident79.1Confident7 Ų746.7 Ų46.74%0.03724%0.241CC..Hα-helixtrans-66.4-42.4176.3-65.6177.4000111.1K284 L287 V288 V331 L332K284-L335 WeakPolarHBondContact CE-O 3.38Å; K284-L335 HydrophobicContact CG-CD2 4.46Å; K284-L335 PolarHBondContact NZ-O 3.36Å; L287-L335 HydrophobicContact CB-CD1 4.03Å; L287-L335 HydrophobicContact CD1-CD1 4.41Å; V288-L335 HydrophobicContact CG2-CB 4.26Å; V288-L335 HydrophobicContact CG2-CD1 4.29Å; V331-L335 HydrophobicContact CG1-CD1 3.98Å; V331-L335 HydrophobicContact CG1-CG 4.33Å; V331-L335 WeakPolarHBondContact O-CG 3.16Å; V331-L335 PolarHBondContact O-N 3.32Å; L332-L335 PolarHBondContact O-N 2.71Å
336L83.2Confident78.2Confident11 Ų1151.1 Ų51.16%0.05827%0.27CS..Hα-helixtrans-74.6-26.2-179.4-65.1176.2000113.7V288 L332 E333 S338 W343 W344 I380 L383 L384V288-L336 HydrophobicContact CG1-CD2 4.32Å; V288-L336 HydrophobicContact CG2-CD2 4.37Å; L332-L336 HydrophobicContact CD1-CD1 3.87Å; L332-L336 HydrophobicContact CD1-CG 3.98Å; L332-L336 HydrophobicContact CG-CD1 3.84Å; L332-L336 HydrophobicContact CG-CG 4.34Å; L332-L336 WeakPolarHBondContact O-CB 3.11Å; L332-L336 VanDerWaalsContact O-CG 3.26Å; L332-L336 WeakPolarHBondContact O-CG 3.49Å; L332-L336 PolarHBondContact O-N 3.34Å; E333-L336 PolarHBondContact O-N 3.45Å; L336-S338 PolarHBondContact O-N 3Å; L336-W343 HydrophobicContact CD2-CH2 3.67Å; L336-W343 HydrophobicContact CD2-CZ2 4.09Å; L336-W344 HydrophobicContact CD2-CH2 4.16Å; L336-W344 HydrophobicContact CD2-CZ3 4.35Å; L336-I380 HydrophobicContact CD1-CG2 4.1Å; L336-L383 HydrophobicContact CB-CB 3.95Å; L336-L383 HydrophobicContact CB-CD1 4.34Å; L336-L383 HydrophobicContact CD1-CB 4Å; L336-L384 HydrophobicContact CD1-CD2 3.74Å; L336-L384 HydrophobicContact CD1-CG 3.93Å; L336-L384 HydrophobicContact CD2-CD2 3.88Å; L336-L384 HydrophobicContact CG-CD2 4.48Å
337S81.4Confident77.5Confident69 Ų6954.7 Ų54.748%0.48328%0.284SS..THydrogen-bonded Turntrans-70.8-9.5178.1-61.60000113.9E333E333-S337 VanDerWaalsContact O-CB 3.3Å; E333-S337 WeakPolarHBondContact O-CB 3.4Å; E333-S337 PolarHBondContact O-N 3.08Å; E333-S337 PolarHBondContact O-OG 3.26Å
338S75.2Confident77Confident48 Ų4854 Ų5434%0.33628%0.282SS..SBendtrans-74129.2177.21610000110.1K284 L336 D340K284-S338 VanDerWaalsContact NZ-CB 3.28Å; K284-S338 PolarHBondContact NZ-OG 3.24Å; L336-S338 PolarHBondContact O-N 3Å; S338-D340 PolarHBondContact O-N 3.27Å
339P62.2Low76.5Confident129 Ų12959.1 Ų59.184%0.83831%0.305SS*.SBendtrans-70.3-19.7-171.328.2-35.8000113.5R341P339-R341 PolarHBondContact O-N 2.94Å
340D69.4Low76.2Confident94 Ų9462.1 Ų62.150%0.50333%0.33SS..  trans-76.6121.2177.9-175.77.1000109.8S338 A342 W343S338-D340 PolarHBondContact O-N 3.27Å; D340-A342 WeakPolarHBondContact OD1-CB 3.25Å; D340-A342 PolarHBondContact OD1-N 3.41Å; D340-W343 PolarHBondContact O-NE1 2.87Å
341R69.4Low75.7Confident145 Ų14561.6 Ų61.655%0.54733%0.334SS..  trans-104.58.5175.4-65.3-172.2-176.9-103.21.2112.8P339 W343 W344P339-R341 PolarHBondContact O-N 2.94Å; R341-W343 PolarHBondContact O-N 3.44Å; R341-W344 HydrophobicContact CB-CE3 4.4Å; R341-W344 HydrophobicContact CG-CE3 4.26Å; R341-W344 VanDerWaalsContact NH1-CZ3 3.26Å; R341-W344 VanDerWaalsContact O-CB 3.25Å; R341-W344 WeakPolarHBondContact O-CB 3.3Å; R341-W344 PolarHBondContact O-N 2.92Å
342A69.6Low75.3Confident81 Ų8162.5 Ų62.567%0.66934%0.338SS*.THydrogen-bonded Turntrans-62.6-16.7-179.800000114.3D340 W344D340-A342 WeakPolarHBondContact OD1-CB 3.25Å; D340-A342 PolarHBondContact OD1-N 3.41Å; A342-W344 VanDerWaalsContact C-N 3.32Å
343W71.5Confident74.9Confident8 Ų866.7 Ų66.73%0.0336%0.363CS..THydrogen-bonded Turntrans-79.8-10.317460.3-85.2000113.7S281 K284 S285 V288 L336 D340 R341 R345 L348S281-W343 WeakPolarHBondContact O-CB 3.36Å; K284-W343 HydrophobicContact CB-CB 4.44Å; K284-W343 HydrophobicContact CB-CG 4.48Å; K284-W343 HydrophobicContact CD-CB 4.28Å; K284-W343 HydrophobicContact CD-CD2 3.7Å; K284-W343 HydrophobicContact CD-CE3 4.34Å; K284-W343 HydrophobicContact CD-CG 3.61Å; K284-W343 VanDerWaalsContact CE-NE1 3.32Å; K284-W343 HydrophobicContact CG-CD2 3.86Å; K284-W343 HydrophobicContact CG-CE3 3.99Å; K284-W343 HydrophobicContact CG-CG 4.11Å; K284-W343 HydrophobicContact CG-CZ3 4.46Å; S285-W343 WeakPolarHBondContact CB-O 3.36Å; V288-W343 HydrophobicContact CB-CH2 4.49Å; V288-W343 HydrophobicContact CB-CZ3 4.07Å; V288-W343 HydrophobicContact CG1-CH2 4.35Å; V288-W343 HydrophobicContact CG1-CZ3 4.21Å; V288-W343 HydrophobicContact CG2-CH2 3.94Å; V288-W343 HydrophobicContact CG2-CZ3 3.79Å; L336-W343 HydrophobicContact CD2-CH2 3.67Å; L336-W343 HydrophobicContact CD2-CZ2 4.09Å; D340-W343 PolarHBondContact O-NE1 2.87Å; R341-W343 PolarHBondContact O-N 3.44Å; W343-R345 PolarHBondContact O-N 3.48Å; W343-L348 HydrophobicContact CE3-CD2 4.04Å; W343-L348 HydrophobicContact CH2-CD2 4.26Å; W343-L348 HydrophobicContact CZ3-CD2 3.39Å
344W67.3Low74.7Confident48 Ų4868.6 Ų68.618%0.18238%0.383CS..  trans-71.6126.2-178.1-136-82.1000110.4L336 R341 A342 L348 Q352 L384L336-W344 HydrophobicContact CD2-CH2 4.16Å; L336-W344 HydrophobicContact CD2-CZ3 4.35Å; R341-W344 HydrophobicContact CB-CE3 4.4Å; R341-W344 HydrophobicContact CG-CE3 4.26Å; R341-W344 VanDerWaalsContact NH1-CZ3 3.26Å; R341-W344 VanDerWaalsContact O-CB 3.25Å; R341-W344 WeakPolarHBondContact O-CB 3.3Å; R341-W344 PolarHBondContact O-N 2.92Å; A342-W344 VanDerWaalsContact C-N 3.32Å; W344-L348 HydrophobicContact CD2-CD2 4.5Å; W344-Q352 VanDerWaalsContact CZ2-OE1 3.32Å; W344-L384 HydrophobicContact CH2-CD2 4.47Å
345R71.3Confident74.4Confident88 Ų8862.7 Ų62.733%0.33236%0.361SS..  trans-121.5149.2-176.4-68.5-88.9-91.6-98.6-1.8109.2W343 E347 L348 E349W343-R345 PolarHBondContact O-N 3.48Å; R345-E347 PolarHBondContact O-N 2.92Å; R345-E347 VanDerWaalsContact O-N 3.16Å; R345-L348 WeakPolarHBondContact O-CA 3.32Å; R345-L348 VanDerWaalsContact O-CB 3.25Å; R345-L348 WeakPolarHBondContact O-CB 3.42Å; R345-L348 PolarHBondContact O-N 2.87Å; R345-E349 PolarHBondContact O-N 3.31Å
346P65.4Low74.1Confident94 Ų9464.3 Ų64.361%0.6137%0.369SS*.Hα-helixtrans-57.8-34-179.7-2332000113.2L348 E349 A350P346-L348 PolarHBondContact O-N 3.07Å; P346-E349 PolarHBondContact O-N 3.07Å; P346-E349 VanDerWaalsContact O-N 3.16Å; P346-A350 PolarHBondContact O-N 2.92Å
347E67.5Low73.9Confident91 Ų9169.6 Ų69.643%0.42539%0.394SS..Hα-helixtrans-60.7-27.1175.3-62.3139-16400112.9R243 R345R243-E347 IonicContact CZ-OE2 3.51Å; R243-E347 IonicContact NH1-OE2 2.78Å; R243-E347 PolarHBondContact NH1-OE2 3.34Å; R243-E347 IonicContact NH2-OE2 3.73Å; R243-E347 PolarHBondContact NH2-OE2 3.42Å; R345-E347 PolarHBondContact O-N 2.92Å; R345-E347 VanDerWaalsContact O-N 3.16Å
348L71.4Confident73.7Confident6 Ų669.8 Ų69.83%0.03138%0.384CS..Hα-helixtrans-82.7-32.3177.7-175.367.4000111.6V288 R289 W343 W344 R345 P346 A350 V351 Q352V288-L348 HydrophobicContact CG1-CD1 4.12Å; V288-L348 HydrophobicContact CG1-CD2 4.27Å; R289-L348 HydrophobicContact CB-CD1 3.72Å; R289-L348 HydrophobicContact CG-CD1 4.2Å; W343-L348 HydrophobicContact CE3-CD2 4.04Å; W343-L348 HydrophobicContact CH2-CD2 4.26Å; W343-L348 HydrophobicContact CZ3-CD2 3.39Å; W344-L348 HydrophobicContact CD2-CD2 4.5Å; R345-L348 WeakPolarHBondContact O-CA 3.32Å; R345-L348 VanDerWaalsContact O-CB 3.25Å; R345-L348 WeakPolarHBondContact O-CB 3.42Å; R345-L348 PolarHBondContact O-N 2.87Å; P346-L348 PolarHBondContact O-N 3.07Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.45Å; L348-V351 PolarHBondContact O-N 2.83Å; L348-Q352 WeakPolarHBondContact O-CB 3.49Å; L348-Q352 PolarHBondContact O-N 3.11Å
349E76.8Confident73.7Confident106 Ų10667.8 Ų67.850%0.49537%0.369SS..Hα-helixtrans-63.2-39.6178.9-64.6-175.2160.900112.1R345 P346 V351 Q352 T353R345-E349 PolarHBondContact O-N 3.31Å; P346-E349 PolarHBondContact O-N 3.07Å; P346-E349 VanDerWaalsContact O-N 3.16Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.95Å; E349-Q352 PolarHBondContact O-N 3.3Å; E349-T353 WeakPolarHBondContact O-CB 3.36Å; E349-T353 WeakPolarHBondContact O-CG2 3.44Å; E349-T353 PolarHBondContact O-N 3.22Å; E349-T353 PolarHBondContact O-OG1 3.32Å
350A77.9Confident74.4Confident64 Ų6467.4 Ų67.453%0.52936%0.356SS..Hα-helixtrans-63-40.5175.200000112.3P346 L348 T353 A354P346-A350 PolarHBondContact O-N 2.92Å; L348-A350 VanDerWaalsContact C-N 3.35Å; L348-A350 PolarHBondContact O-N 3.45Å; A350-T353 WeakPolarHBondContact CA-OG1 3.29Å; A350-T353 PolarHBondContact O-OG1 3.22Å; A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.48Å
351V75.5Confident74.7Confident48 Ų4867.9 Ų67.929%0.29136%0.358SS..Hα-helixtrans-70.5-39.3177.3177.90000110.9R289 L348 E349 F355R289-V351 HydrophobicContact CG-CB 4.34Å; R289-V351 HydrophobicContact CG-CG1 4.11Å; R289-V351 HydrophobicContact CG-CG2 4.06Å; L348-V351 PolarHBondContact O-N 2.83Å; E349-V351 VanDerWaalsContact C-N 3.35Å; E349-V351 PolarHBondContact O-N 2.95Å; V351-F355 VanDerWaalsContact O-CB 3.26Å; V351-F355 WeakPolarHBondContact O-CB 3.41Å; V351-F355 PolarHBondContact O-N 2.96Å
352Q79.8Confident75Confident19 Ų1961.7 Ų61.79%0.08934%0.336CS..Hα-helixtrans-63.8-49.8177.2177-172.57.500111.9W344 L348 E349 A354 F355 L356 L384W344-Q352 VanDerWaalsContact CZ2-OE1 3.32Å; L348-Q352 WeakPolarHBondContact O-CB 3.49Å; L348-Q352 PolarHBondContact O-N 3.11Å; E349-Q352 PolarHBondContact O-N 3.3Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.87Å; Q352-F355 CarbonylContact O-C 3.58Å; Q352-F355 WeakPolarHBondContact O-CB 3.18Å; Q352-F355 PolarHBondContact O-N 2.69Å; Q352-F355 VanDerWaalsContact O-N 3.13Å; Q352-L356 HydrophobicContact CG-CD1 3.99Å; Q352-L356 HydrophobicContact CG-CG 4.33Å; Q352-L356 WeakPolarHBondContact O-CB 3.28Å; Q352-L356 WeakPolarHBondContact O-CG 3.31Å; Q352-L356 PolarHBondContact O-N 3.05Å; Q352-L384 HydrophobicContact CG-CB 4.16Å; Q352-L384 HydrophobicContact CG-CD1 4.39Å; Q352-L384 HydrophobicContact CG-CD2 4.23Å; Q352-L384 HydrophobicContact CG-CG 4.5Å; Q352-L384 VanDerWaalsContact NE2-CB 3.33Å; Q352-L384 PolarHBondContact NE2-O 3.1Å
353T79.2Confident75.4Confident87 Ų8758.3 Ų58.353%0.53431%0.307SS..Hα-helixtrans-61.5-43.4179.946.60000111.5E349 A350 F355 L356 H357E349-T353 WeakPolarHBondContact O-CB 3.36Å; E349-T353 WeakPolarHBondContact O-CG2 3.44Å; E349-T353 PolarHBondContact O-N 3.22Å; E349-T353 PolarHBondContact O-OG1 3.32Å; A350-T353 WeakPolarHBondContact CA-OG1 3.29Å; A350-T353 PolarHBondContact O-OG1 3.22Å; T353-F355 VanDerWaalsContact C-N 3.32Å; T353-F355 PolarHBondContact O-N 2.91Å; T353-L356 PolarHBondContact O-N 3.5Å; T353-H357 WeakPolarHBondContact O-CB 3.37Å; T353-H357 PolarHBondContact O-N 3.34Å
354A81.3Confident75.4Confident61 Ų6164.8 Ų64.850%0.50434%0.335SS..Hα-helixtrans-60.6-41.8172.900000112A350 Q352 R358A350-A354 WeakPolarHBondContact O-CB 3.47Å; A350-A354 PolarHBondContact O-N 3.48Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.87Å; A354-R358 VanDerWaalsContact O-CB 3.27Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.93Å; A354-R358 VanDerWaalsContact O-N 3.16Å
355F80.3Confident75.8Confident12 Ų1266.2 Ų66.25%0.05335%0.346CS..Hα-helixtrans-65.5-44.2176.5178.1-93.9000112.5L292 I295 V351 Q352 T353 R358 L359 M377 I380 L384L292-F355 HydrophobicContact CB-CD2 4.21Å; L292-F355 HydrophobicContact CB-CG 4.44Å; L292-F355 HydrophobicContact CD2-CD1 3.73Å; L292-F355 HydrophobicContact CD2-CD2 4.14Å; L292-F355 HydrophobicContact CD2-CE1 3.56Å; L292-F355 HydrophobicContact CD2-CE2 3.99Å; L292-F355 HydrophobicContact CD2-CG 4Å; L292-F355 HydrophobicContact CD2-CZ 3.68Å; L292-F355 WeakPolarHBondContact O-CD2 3.39Å; L292-F355 WeakPolarHBondContact O-CE2 3.27Å; I295-F355 HydrophobicContact CG2-CE2 4.24Å; I295-F355 HydrophobicContact CG2-CZ 4.35Å; V351-F355 VanDerWaalsContact O-CB 3.26Å; V351-F355 WeakPolarHBondContact O-CB 3.41Å; V351-F355 PolarHBondContact O-N 2.96Å; Q352-F355 CarbonylContact O-C 3.58Å; Q352-F355 WeakPolarHBondContact O-CB 3.18Å; Q352-F355 PolarHBondContact O-N 2.69Å; Q352-F355 VanDerWaalsContact O-N 3.13Å; T353-F355 VanDerWaalsContact C-N 3.32Å; T353-F355 PolarHBondContact O-N 2.91Å; F355-R358 CarbonylContact O-C 3.23Å; F355-R358 PolarHBondContact O-N 3.44Å; F355-L359 HydrophobicContact CD1-CD1 4.27Å; F355-L359 HydrophobicContact CE1-CD1 3.53Å; F355-L359 HydrophobicContact CZ-CD1 4.08Å; F355-L359 VanDerWaalsContact O-CB 3.26Å; F355-L359 WeakPolarHBondContact O-CB 3.43Å; F355-L359 PolarHBondContact O-N 3.31Å; F355-M377 HydrophobicContact CE1-CE 4.29Å; F355-M377 HydrophobicContact CE2-CE 3.78Å; F355-M377 HydrophobicContact CE2-SD 4.36Å; F355-M377 HydrophobicContact CZ-CE 3.42Å; F355-M377 VanDerWaalsContact CZ-CE 3.42Å; F355-M377 HydrophobicContact CZ-SD 3.71Å; F355-I380 HydrophobicContact CE1-CG2 4.46Å; F355-L384 HydrophobicContact CD1-CD1 3.78Å; F355-L384 HydrophobicContact CE1-CD1 3.89Å
356L79.4Confident76Confident42 Ų4262.1 Ų62.122%0.2233%0.331CS..Hα-helixtrans-64-46.9179.7-73.9175.2000111.8Q352 T353 R358 L359 E360 L384Q352-L356 HydrophobicContact CG-CD1 3.99Å; Q352-L356 HydrophobicContact CG-CG 4.33Å; Q352-L356 WeakPolarHBondContact O-CB 3.28Å; Q352-L356 WeakPolarHBondContact O-CG 3.31Å; Q352-L356 PolarHBondContact O-N 3.05Å; T353-L356 PolarHBondContact O-N 3.5Å; L356-R358 PolarHBondContact O-N 3.5Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 PolarHBondContact O-N 2.94Å; L356-L359 VanDerWaalsContact O-N 3.13Å; L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.06Å; L356-L384 HydrophobicContact CD2-CB 4.27Å; L356-L384 HydrophobicContact CD2-CD1 4.17Å
357H79.1Confident76.5Confident122 Ų12263 Ų6357%0.56532%0.322SS*.Hα-helixtrans-57.8-38.7174.7-178.5-79.7000111.6T353T353-H357 WeakPolarHBondContact O-CB 3.37Å; T353-H357 PolarHBondContact O-N 3.34Å
358R78.4Confident76.6Confident72 Ų7265 Ų6527%0.27234%0.336SS..Hα-helixtrans-74.2-33.7178.4-164.7158.6177.1-100.7-109.2112.7G296 E300 A354 F355 L356 L361 L362G296-R358 VanDerWaalsContact C-NH2 3.3Å; G296-R358 PolarHBondContact O-NH2 2.88Å; E300-R358 VanDerWaalsContact CD-NH2 3.34Å; E300-R358 VanDerWaalsContact CG-CZ 3.47Å; E300-R358 VanDerWaalsContact CG-NH2 3.27Å; E300-R358 IonicContact OE1-CZ 3.01Å; E300-R358 IonicContact OE1-NE 3.23Å; E300-R358 PolarHBondContact OE1-NE 3.47Å; E300-R358 IonicContact OE1-NH1 3.31Å; E300-R358 PolarHBondContact OE1-NH1 2.91Å; E300-R358 IonicContact OE1-NH2 3.45Å; E300-R358 PolarHBondContact OE1-NH2 3.42Å; E300-R358 IonicContact OE2-CZ 2.64Å; E300-R358 IonicContact OE2-NH1 3.49Å; E300-R358 PolarHBondContact OE2-NH1 3.49Å; E300-R358 IonicContact OE2-NH2 3.32Å; A354-R358 VanDerWaalsContact O-CB 3.27Å; A354-R358 WeakPolarHBondContact O-CB 3.26Å; A354-R358 PolarHBondContact O-N 2.93Å; A354-R358 VanDerWaalsContact O-N 3.16Å; F355-R358 CarbonylContact O-C 3.23Å; F355-R358 PolarHBondContact O-N 3.44Å; L356-R358 PolarHBondContact O-N 3.5Å; R358-L361 PolarHBondContact O-N 2.93Å; R358-L362 HydrophobicContact CG-CD1 3.84Å; R358-L362 HydrophobicContact CG-CG 4.46Å; R358-L362 WeakPolarHBondContact O-CB 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.43Å; R358-L362 PolarHBondContact O-N 3.34Å
359L74Confident76.7Confident6 Ų670.6 Ų70.63%0.03136%0.362CS..Hα-helixtrans-65.6-43.4175.2-176.5156.4000110.8F355 L356 L361 L362 V363 M377 W378F355-L359 HydrophobicContact CD1-CD1 4.27Å; F355-L359 HydrophobicContact CE1-CD1 3.53Å; F355-L359 HydrophobicContact CZ-CD1 4.08Å; F355-L359 VanDerWaalsContact O-CB 3.26Å; F355-L359 WeakPolarHBondContact O-CB 3.43Å; F355-L359 PolarHBondContact O-N 3.31Å; L356-L359 WeakPolarHBondContact O-CB 3.48Å; L356-L359 PolarHBondContact O-N 2.94Å; L356-L359 VanDerWaalsContact O-N 3.13Å; L359-L361 PolarHBondContact O-N 3.46Å; L359-L362 PolarHBondContact O-N 3.16Å; L359-V363 HydrophobicContact CD2-CB 4.45Å; L359-V363 HydrophobicContact CD2-CG2 3.55Å; L359-V363 HydrophobicContact CG-CG2 3.66Å; L359-V363 VanDerWaalsContact O-CB 3.24Å; L359-V363 WeakPolarHBondContact O-CB 3.48Å; L359-V363 WeakPolarHBondContact O-CG2 3.48Å; L359-V363 PolarHBondContact O-N 3Å; L359-M377 HydrophobicContact CB-CE 4.4Å; L359-M377 HydrophobicContact CD1-CB 4.2Å; L359-M377 HydrophobicContact CD1-CE 3.92Å; L359-M377 WeakPolarHBondContact CD1-O 3.47Å; L359-M377 HydrophobicContact CG-CB 4.44Å; L359-M377 HydrophobicContact CG-CE 4.09Å; L359-W378 HydrophobicContact CD2-CE3 4.14Å
360E76.9Confident76.6Confident121 Ų12166.7 Ų66.757%0.56534%0.343SS*.Hα-helixtrans-56-40.1175.6-74.3178.1176.900112L356 F364L356-E360 WeakPolarHBondContact O-CG 3.27Å; L356-E360 PolarHBondContact O-N 3.06Å; E360-F364 WeakPolarHBondContact O-CD2 3.29Å
361L77.4Confident76.5Confident105 Ų10566.2 Ų66.255%0.5534%0.335SS..Hα-helixtrans-74.5-45.9178-65.8170.1000112.4R358 L359 L365R358-L361 PolarHBondContact O-N 2.93Å; L359-L361 PolarHBondContact O-N 3.46Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å
362L75.5Confident76.4Confident15 Ų1565.8 Ų65.88%0.07933%0.33CS..Hα-helixtrans-81.8-27.4-171.4-68.5175.8000113.9A299 E300 W303 R358 L359 F364 L365 L366A299-L362 HydrophobicContact CB-CD1 3.81Å; E300-L362 HydrophobicContact CG-CD1 4.42Å; W303-L362 HydrophobicContact CB-CD2 4.12Å; W303-L362 HydrophobicContact CG-CD2 4.08Å; R358-L362 HydrophobicContact CG-CD1 3.84Å; R358-L362 HydrophobicContact CG-CG 4.46Å; R358-L362 WeakPolarHBondContact O-CB 3.3Å; R358-L362 WeakPolarHBondContact O-CG 3.43Å; R358-L362 PolarHBondContact O-N 3.34Å; L359-L362 PolarHBondContact O-N 3.16Å; L362-F364 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 2.86Å; L362-L366 HydrophobicContact CB-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.19Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.39Å
363V76.8Confident76.4Confident9 Ų964.9 Ų64.96%0.05533%0.326CS..Hα-helixtrans-63.5-41.2-176.31620000111.9L359 W367 S374 M377 W378L359-V363 HydrophobicContact CD2-CB 4.45Å; L359-V363 HydrophobicContact CD2-CG2 3.55Å; L359-V363 HydrophobicContact CG-CG2 3.66Å; L359-V363 VanDerWaalsContact O-CB 3.24Å; L359-V363 WeakPolarHBondContact O-CB 3.48Å; L359-V363 WeakPolarHBondContact O-CG2 3.48Å; L359-V363 PolarHBondContact O-N 3Å; V363-W367 WeakPolarHBondContact O-CB 3.19Å; V363-W367 PolarHBondContact O-N 3Å; V363-W367 VanDerWaalsContact O-N 3.07Å; V363-S374 PolarHBondContact O-OG 3.3Å; V363-S374 VanDerWaalsContact O-OG 3.09Å; V363-M377 HydrophobicContact CG2-CB 4.01Å; V363-W378 HydrophobicContact CG1-CE3 3.97Å
364F72.4Confident76.5Confident144 Ų14460.8 Ų60.863%0.63230%0.301SS*.Hα-helixtrans-70.7-39.7177.8-65.6-69.3000111.8E360 L362 W367E360-F364 WeakPolarHBondContact O-CD2 3.29Å; L362-F364 PolarHBondContact O-N 3.45Å; F364-W367 WeakPolarHBondContact O-CB 2.96Å; F364-W367 PolarHBondContact O-N 3.04Å
365L76Confident76.3Confident78 Ų7858.8 Ų58.841%0.40828%0.282SS..Hα-helixtrans-68.2-37.1179.8-67.9176.5000112.7W303 L361 L362W303-L365 HydrophobicContact CD2-CB 4.27Å; W303-L365 HydrophobicContact CD2-CD1 4.34Å; W303-L365 HydrophobicContact CE3-CB 3.71Å; W303-L365 HydrophobicContact CH2-CB 3.99Å; W303-L365 HydrophobicContact CH2-CD1 4.14Å; W303-L365 HydrophobicContact CH2-CD2 3.73Å; W303-L365 HydrophobicContact CH2-CG 4.17Å; W303-L365 HydrophobicContact CZ2-CD1 3.91Å; W303-L365 HydrophobicContact CZ2-CD2 4.21Å; W303-L365 HydrophobicContact CZ2-CG 4.44Å; W303-L365 HydrophobicContact CZ3-CB 3.57Å; W303-L365 HydrophobicContact CZ3-CD1 4.45Å; W303-L365 HydrophobicContact CZ3-CD2 4.15Å; W303-L365 HydrophobicContact CZ3-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CD1 3.45Å; L361-L365 WeakPolarHBondContact O-CG 3.33Å; L362-L365 PolarHBondContact O-N 2.86Å
366L74.9Confident76.1Confident2 Ų258.8 Ų58.81%0.0128%0.282CS..Hα-helixtrans-85.6-9.4177.8-67.3170.2000112.9A299 L302 W303 L362 D368 F370 F373 S374A299-L366 HydrophobicContact CB-CD1 4.08Å; L302-L366 HydrophobicContact CB-CD2 3.83Å; W303-L366 HydrophobicContact CB-CD2 3.99Å; L362-L366 HydrophobicContact CB-CD1 4.12Å; L362-L366 VanDerWaalsContact O-CB 3.27Å; L362-L366 WeakPolarHBondContact O-CB 3.19Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.39Å; L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.95Å; L366-F370 HydrophobicContact CD2-CD2 3.76Å; L366-F370 HydrophobicContact CD2-CE2 4.36Å; L366-F370 CarbonylContact O-C 3.56Å; L366-F370 VanDerWaalsContact O-C 3.23Å; L366-F370 VanDerWaalsContact O-CA 3.26Å; L366-F370 WeakPolarHBondContact O-CA 3.26Å; L366-F370 PolarHBondContact O-N 3.38Å; L366-F373 HydrophobicContact CD1-CD1 4.06Å; L366-F373 HydrophobicContact CD1-CE1 4Å; L366-S374 VanDerWaalsContact C-OG 3.3Å; L366-S374 WeakPolarHBondContact CB-OG 3.21Å; L366-S374 PolarHBondContact O-OG 3.03Å
367W75.9Confident76.1Confident112 Ų11257 Ų5742%0.42427%0.273SS..Hα-helixtrans-62.2-39.3-174.6179.9-91.1000112.6V363 F364 P371 S374 I375V363-W367 WeakPolarHBondContact O-CB 3.19Å; V363-W367 PolarHBondContact O-N 3Å; V363-W367 VanDerWaalsContact O-N 3.07Å; F364-W367 WeakPolarHBondContact O-CB 2.96Å; F364-W367 PolarHBondContact O-N 3.04Å; W367-P371 WeakPolarHBondContact O-CA 3.42Å; W367-P371 WeakPolarHBondContact O-CB 3.46Å; W367-P371 WeakPolarHBondContact O-CD 3.29Å; W367-S374 PolarHBondContact N-OG 3.23Å; W367-I375 HydrophobicContact CH2-CD1 4.07Å; W367-I375 HydrophobicContact CH2-CG1 3.78Å; W367-I375 HydrophobicContact CZ3-CD1 4.25Å; W367-I375 HydrophobicContact CZ3-CG1 3.53Å
368D68.8Low76Confident135 Ų13556.9 Ų56.972%0.72227%0.268SS*.THydrogen-bonded Turntrans-72-39.9-174.8-66.6-26.2000111.8L366L366-D368 VanDerWaalsContact C-N 3.31Å; L366-D368 PolarHBondContact O-N 2.95Å
369E73.6Confident76Confident122 Ų12257.3 Ų57.357%0.5727%0.269SS*.THydrogen-bonded Turntrans-94.2-32.7-177.6-63.6-61.8150.800113.5
370F76.3Confident76.3Confident25 Ų2557.1 Ų57.111%0.1127%0.268CS..  trans-133.861.1-174.4-55.9-72.8000112.8L302 F317 Y322 L366 L372 F373 S374L302-F370 HydrophobicContact CB-CD2 4.2Å; L302-F370 HydrophobicContact CB-CE2 4.06Å; L302-F370 HydrophobicContact CD2-CE1 4.2Å; L302-F370 HydrophobicContact CD2-CE2 4.32Å; L302-F370 HydrophobicContact CD2-CZ 4.08Å; F317-F370 HydrophobicContact CD2-CZ 4.41Å; F317-F370 HydrophobicContact CE1-CE1 4.3Å; F317-F370 AromaticContact CE2-CE1 3.56Å; F317-F370 HydrophobicContact CE2-CE1 3.56Å; F317-F370 AromaticContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CE2-CZ 3.41Å; F317-F370 VanDerWaalsContact CE2-CZ 3.41Å; F317-F370 HydrophobicContact CZ-CD1 4.29Å; F317-F370 AromaticContact CZ-CE1 3.31Å; F317-F370 HydrophobicContact CZ-CE1 3.31Å; F317-F370 AromaticContact CZ-CZ 3.73Å; F317-F370 HydrophobicContact CZ-CZ 3.73Å; Y322-F370 HydrophobicContact CD2-CD1 4.22Å; Y322-F370 HydrophobicContact CE2-CB 4.2Å; Y322-F370 AromaticContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CD1 3.7Å; Y322-F370 HydrophobicContact CE2-CG 4.25Å; L366-F370 HydrophobicContact CD2-CD2 3.76Å; L366-F370 HydrophobicContact CD2-CE2 4.36Å; L366-F370 CarbonylContact O-C 3.56Å; L366-F370 VanDerWaalsContact O-C 3.23Å; L366-F370 VanDerWaalsContact O-CA 3.26Å; L366-F370 WeakPolarHBondContact O-CA 3.26Å; L366-F370 PolarHBondContact O-N 3.38Å; F370-L372 VanDerWaalsContact C-N 3.3Å; F370-L372 PolarHBondContact O-N 3.49Å; F370-F373 HydrophobicContact CB-CB 4.2Å; F370-F373 PolarHBondContact O-N 3.48Å; F370-S374 PolarHBondContact O-N 3.26Å; F370-S374 VanDerWaalsContact O-N 3.09Å; F370-S374 PolarHBondContact O-OG 2.77Å
371P74.4Confident76.3Confident53 Ų5352.1 Ų52.134%0.34425%0.25SC..Hα-helixtrans-60.6-36.1-172.922-33.5000113.4W367 S374 I375W367-P371 WeakPolarHBondContact O-CA 3.42Å; W367-P371 WeakPolarHBondContact O-CB 3.46Å; W367-P371 WeakPolarHBondContact O-CD 3.29Å; P371-S374 PolarHBondContact O-N 2.9Å; P371-I375 WeakPolarHBondContact O-CB 3.21Å; P371-I375 WeakPolarHBondContact O-CD1 3.49Å; P371-I375 WeakPolarHBondContact O-CG1 3.41Å; P371-I375 PolarHBondContact O-N 3.5Å
372L74.3Confident76.2Confident39 Ų3954.5 Ų54.520%0.20426%0.255CS..Hα-helixtrans-66.2-42.7-179.9-67.3173.7000112.2W128 F370 I375 L376W128-L372 HydrophobicContact CD2-CD2 4.34Å; W128-L372 HydrophobicContact CZ2-CD1 4.28Å; W128-L372 HydrophobicContact CZ2-CD2 4.33Å; F370-L372 VanDerWaalsContact C-N 3.3Å; F370-L372 PolarHBondContact O-N 3.49Å; L372-I375 PolarHBondContact O-N 2.97Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.27Å; L372-L376 VanDerWaalsContact O-N 3.08Å
373F79.6Confident76.2Confident1 Ų156.1 Ų56.10%0.00426%0.264CS..Hα-helixtrans-65.7-45.4177-177.6-95.8000110.7I295 L298 A299 L302 Y322 L329 L366 F370 I375 L376 M377I295-F373 HydrophobicContact CG2-CE2 4.21Å; I295-F373 HydrophobicContact CG2-CZ 3.86Å; L298-F373 HydrophobicContact CD2-CD2 4.09Å; L298-F373 HydrophobicContact CD2-CE2 3.36Å; L298-F373 HydrophobicContact CD2-CZ 3.67Å; A299-F373 HydrophobicContact CB-CE1 3.66Å; A299-F373 HydrophobicContact CB-CZ 3.92Å; L302-F373 HydrophobicContact CD1-CD1 3.94Å; L302-F373 HydrophobicContact CD1-CD2 4.22Å; L302-F373 HydrophobicContact CD1-CE1 4.07Å; L302-F373 HydrophobicContact CD1-CE2 4.36Å; L302-F373 HydrophobicContact CD1-CG 4.01Å; L302-F373 HydrophobicContact CD1-CZ 4.28Å; Y322-F373 HydrophobicContact CE2-CB 3.68Å; Y322-F373 HydrophobicContact CE2-CD2 4.48Å; Y322-F373 HydrophobicContact CE2-CG 4.33Å; L329-F373 HydrophobicContact CD1-CD2 3.94Å; L329-F373 HydrophobicContact CD1-CE2 4.02Å; L366-F373 HydrophobicContact CD1-CD1 4.06Å; L366-F373 HydrophobicContact CD1-CE1 4Å; F370-F373 HydrophobicContact CB-CB 4.2Å; F370-F373 PolarHBondContact O-N 3.48Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 3.24Å; F373-L376 PolarHBondContact O-N 2.93Å; F373-M377 HydrophobicContact CD1-CG 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.49Å; F373-M377 HydrophobicContact CE1-CG 3.61Å; F373-M377 HydrophobicContact CE1-SD 4.26Å; F373-M377 HydrophobicContact CE2-CG 4.39Å; F373-M377 HydrophobicContact CG-CG 4.43Å; F373-M377 HydrophobicContact CZ-CG 3.88Å; F373-M377 HydrophobicContact CZ-SD 4.07Å; F373-M377 VanDerWaalsContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CG 3.05Å; F373-M377 PolarHBondContact O-N 3.46Å
374S81.1Confident76.1Confident0 Ų057.4 Ų57.40%027%0.27CS..Hα-helixtrans-58.8-39.7175.2-69.20000113V363 L366 W367 F370 P371 W378V363-S374 PolarHBondContact O-OG 3.3Å; V363-S374 VanDerWaalsContact O-OG 3.09Å; L366-S374 VanDerWaalsContact C-OG 3.3Å; L366-S374 WeakPolarHBondContact CB-OG 3.21Å; L366-S374 PolarHBondContact O-OG 3.03Å; W367-S374 PolarHBondContact N-OG 3.23Å; F370-S374 PolarHBondContact O-N 3.26Å; F370-S374 VanDerWaalsContact O-N 3.09Å; F370-S374 PolarHBondContact O-OG 2.77Å; P371-S374 PolarHBondContact O-N 2.9Å; S374-W378 VanDerWaalsContact O-CB 3.29Å; S374-W378 WeakPolarHBondContact O-CB 3.41Å; S374-W378 PolarHBondContact O-N 3.45Å
375I77.8Confident76.3Confident19 Ų1953.1 Ų53.110%0.09725%0.252CS..Hα-helixtrans-62.7-49.7175.1-76.4162.4000111.9W121 L125 W367 P371 L372 F373 W378 R379W121-I375 HydrophobicContact CH2-CD1 3.61Å; W121-I375 HydrophobicContact CH2-CG1 4.15Å; W121-I375 HydrophobicContact CH2-CG2 4.37Å; W121-I375 HydrophobicContact CZ2-CB 4.35Å; W121-I375 HydrophobicContact CZ2-CD1 3.83Å; W121-I375 HydrophobicContact CZ2-CG1 3.95Å; W121-I375 HydrophobicContact CZ2-CG2 3.47Å; W121-I375 VanDerWaalsContact CZ2-CG2 3.47Å; L125-I375 HydrophobicContact CD2-CG2 4.47Å; W367-I375 HydrophobicContact CH2-CD1 4.07Å; W367-I375 HydrophobicContact CH2-CG1 3.78Å; W367-I375 HydrophobicContact CZ3-CD1 4.25Å; W367-I375 HydrophobicContact CZ3-CG1 3.53Å; P371-I375 WeakPolarHBondContact O-CB 3.21Å; P371-I375 WeakPolarHBondContact O-CD1 3.49Å; P371-I375 WeakPolarHBondContact O-CG1 3.41Å; P371-I375 PolarHBondContact O-N 3.5Å; L372-I375 PolarHBondContact O-N 2.97Å; F373-I375 VanDerWaalsContact C-N 3.32Å; F373-I375 PolarHBondContact O-N 3.24Å; I375-W378 PolarHBondContact O-N 2.92Å; I375-R379 PolarHBondContact O-N 3.03Å
376L76.6Confident76.3Confident13 Ų1351.7 Ų51.77%0.06824%0.244CC..Hα-helixtrans-66.2-41.9-177.6-71.6173.1000110.9C326 L329 L372 F373 R379 I380C326-L376 HydrophobicContact CB-CD1 4.35Å; L329-L376 HydrophobicContact CB-CB 4.33Å; L329-L376 HydrophobicContact CB-CD1 4.38Å; L329-L376 HydrophobicContact CD1-CB 3.79Å; L329-L376 HydrophobicContact CD1-CD1 3.81Å; L329-L376 HydrophobicContact CD1-CG 4.47Å; L329-L376 HydrophobicContact CD2-CB 4.39Å; L329-L376 HydrophobicContact CG-CB 4.41Å; L372-L376 WeakPolarHBondContact O-CG 3.36Å; L372-L376 PolarHBondContact O-N 3.27Å; L372-L376 VanDerWaalsContact O-N 3.08Å; F373-L376 PolarHBondContact O-N 2.93Å; L376-R379 PolarHBondContact O-N 3.35Å; L376-I380 PolarHBondContact O-N 2.98Å
377M77.6Confident76.4Confident5 Ų554.5 Ų54.53%0.02526%0.257CS..Hα-helixtrans-54.9-55.1171.6-77-69.9-79.100110.9I295 L329 F355 L359 V363 F373 R379 I380 G381I295-M377 HydrophobicContact CG2-CE 4.01Å; I295-M377 HydrophobicContact CG2-SD 3.18Å; I295-M377 WeakPolarHBondContact CG2-SD 3.17Å; L329-M377 HydrophobicContact CD2-CG 4.46Å; L329-M377 HydrophobicContact CD2-SD 4.05Å; F355-M377 HydrophobicContact CE1-CE 4.29Å; F355-M377 HydrophobicContact CE2-CE 3.78Å; F355-M377 HydrophobicContact CE2-SD 4.36Å; F355-M377 HydrophobicContact CZ-CE 3.42Å; F355-M377 VanDerWaalsContact CZ-CE 3.42Å; F355-M377 HydrophobicContact CZ-SD 3.71Å; L359-M377 HydrophobicContact CB-CE 4.4Å; L359-M377 HydrophobicContact CD1-CB 4.2Å; L359-M377 HydrophobicContact CD1-CE 3.92Å; L359-M377 WeakPolarHBondContact CD1-O 3.47Å; L359-M377 HydrophobicContact CG-CB 4.44Å; L359-M377 HydrophobicContact CG-CE 4.09Å; V363-M377 HydrophobicContact CG2-CB 4.01Å; F373-M377 HydrophobicContact CD1-CG 3.91Å; F373-M377 HydrophobicContact CE1-CE 4.49Å; F373-M377 HydrophobicContact CE1-CG 3.61Å; F373-M377 HydrophobicContact CE1-SD 4.26Å; F373-M377 HydrophobicContact CE2-CG 4.39Å; F373-M377 HydrophobicContact CG-CG 4.43Å; F373-M377 HydrophobicContact CZ-CG 3.88Å; F373-M377 HydrophobicContact CZ-SD 4.07Å; F373-M377 VanDerWaalsContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CB 3.29Å; F373-M377 WeakPolarHBondContact O-CG 3.05Å; F373-M377 PolarHBondContact O-N 3.46Å; M377-R379 VanDerWaalsContact C-N 3.26Å; M377-R379 PolarHBondContact O-N 2.78Å; M377-I380 PolarHBondContact O-N 3.39Å; M377-I380 VanDerWaalsContact O-N 3.09Å; M377-G381 PolarHBondContact O-N 3.17Å
378W77.3Confident76.4Confident119 Ų11951.1 Ų51.145%0.45125%0.247SC..Hα-helixtrans-56.9-38.4179.5-173.7-98.4000113.1L359 V363 S374 I375 G381 K382L359-W378 HydrophobicContact CD2-CE3 4.14Å; V363-W378 HydrophobicContact CG1-CE3 3.97Å; S374-W378 VanDerWaalsContact O-CB 3.29Å; S374-W378 WeakPolarHBondContact O-CB 3.41Å; S374-W378 PolarHBondContact O-N 3.45Å; I375-W378 PolarHBondContact O-N 2.92Å; W378-G381 PolarHBondContact O-N 3.47Å; W378-K382 PolarHBondContact O-N 3.34Å
379R78.3Confident76.9Confident80 Ų8045.9 Ų45.930%0.30222%0.217SC..Hα-helixtrans-64.4-45.1176.4-173.9-177-177.3175.74.4111.9E333 I375 L376 M377 G381 K382 L383E333-R379 IonicContact OE1-CZ 3.34Å; E333-R379 IonicContact OE1-NE 3.61Å; E333-R379 PolarHBondContact OE1-NE 2.82Å; E333-R379 IonicContact OE1-NH1 3.47Å; E333-R379 PolarHBondContact OE1-NH1 2.83Å; E333-R379 IonicContact OE1-NH2 2.78Å; E333-R379 PolarHBondContact OE1-NH2 3.34Å; E333-R379 IonicContact OE2-CZ 4Å; E333-R379 VanDerWaalsContact OE2-CZ 3.22Å; E333-R379 IonicContact OE2-NE 3.81Å; E333-R379 PolarHBondContact OE2-NE 3Å; E333-R379 IonicContact OE2-NH1 3.83Å; E333-R379 PolarHBondContact OE2-NH1 2.89Å; E333-R379 IonicContact OE2-NH2 3.05Å; I375-R379 PolarHBondContact O-N 3.03Å; L376-R379 PolarHBondContact O-N 3.35Å; M377-R379 VanDerWaalsContact C-N 3.26Å; M377-R379 PolarHBondContact O-N 2.78Å; R379-G381 VanDerWaalsContact C-N 3.3Å; R379-K382 WeakPolarHBondContact O-CB 3.44Å; R379-K382 PolarHBondContact O-N 3.24Å; R379-K382 VanDerWaalsContact O-N 3.17Å; R379-L383 PolarHBondContact O-N 3.36Å
380I80.1Confident77.1Confident2 Ų240.8 Ų40.81%0.0119%0.194CC..Hα-helixtrans-63.4-39.7175.7-77.9155.8000110.9L292 L329 L332 L336 F355 L376 M377 K382 L383 L384L292-I380 HydrophobicContact CD2-CG2 4.39Å; L329-I380 HydrophobicContact CB-CD1 3.87Å; L329-I380 HydrophobicContact CD2-CD1 3.23Å; L329-I380 HydrophobicContact CG-CD1 4.15Å; L332-I380 HydrophobicContact CB-CD1 4.38Å; L332-I380 HydrophobicContact CD2-CD1 3.89Å; L332-I380 HydrophobicContact CD2-CG1 4.24Å; L332-I380 HydrophobicContact CD2-CG2 3.57Å; L332-I380 HydrophobicContact CG-CD1 4.3Å; L332-I380 HydrophobicContact CG-CG1 4.39Å; L332-I380 HydrophobicContact CG-CG2 4.2Å; L336-I380 HydrophobicContact CD1-CG2 4.1Å; F355-I380 HydrophobicContact CE1-CG2 4.46Å; L376-I380 PolarHBondContact O-N 2.98Å; M377-I380 PolarHBondContact O-N 3.39Å; M377-I380 VanDerWaalsContact O-N 3.09Å; I380-K382 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact O-N 3.12Å; I380-L383 PolarHBondContact O-N 2.91Å; I380-L384 HydrophobicContact CG2-CD1 3.85Å; I380-L384 HydrophobicContact CG2-CG 4.12Å; I380-L384 WeakPolarHBondContact O-CG 3.38Å; I380-L384 PolarHBondContact O-N 3.06Å
381G77.6Confident77.2Confident17 Ų1741.9 Ų41.918%0.17520%0.2CC..Hα-helixtrans-57.5-23.8174.500000114.2M377 W378 R379M377-G381 PolarHBondContact O-N 3.17Å; W378-G381 PolarHBondContact O-N 3.47Å; R379-G381 VanDerWaalsContact C-N 3.3Å
382K76Confident77.4Confident154 Ų15441.1 Ų41.167%0.6719%0.189SC*.Hα-helixtrans-84.1-22.2172.9-68.2-174175.1-172.70114.6W378 R379 I380W378-K382 PolarHBondContact O-N 3.34Å; R379-K382 WeakPolarHBondContact O-CB 3.44Å; R379-K382 PolarHBondContact O-N 3.24Å; R379-K382 VanDerWaalsContact O-N 3.17Å; I380-K382 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact O-N 3.12Å
383L74.8Confident77.6Confident50 Ų5041.3 Ų41.326%0.26219%0.187SC..Hα-helixtrans-89.4-31-177.8-66.4176.3000111.8E333 L336 R379 I380E333-L383 HydrophobicContact CG-CD1 3.65Å; L336-L383 HydrophobicContact CB-CB 3.95Å; L336-L383 HydrophobicContact CB-CD1 4.34Å; L336-L383 HydrophobicContact CD1-CB 4Å; R379-L383 PolarHBondContact O-N 3.36Å; I380-L383 PolarHBondContact O-N 2.91Å
384L75.1Confident77.5Confident35 Ų3544.9 Ų44.918%0.18320%0.204CC..  trans-63.30164.6-70.3178000109L292 L336 W344 Q352 F355 L356 I380L292-L384 HydrophobicContact CD1-CD1 4.37Å; L292-L384 HydrophobicContact CD1-CD2 4.14Å; L292-L384 HydrophobicContact CD2-CD1 3.84Å; L336-L384 HydrophobicContact CD1-CD2 3.74Å; L336-L384 HydrophobicContact CD1-CG 3.93Å; L336-L384 HydrophobicContact CD2-CD2 3.88Å; L336-L384 HydrophobicContact CG-CD2 4.48Å; W344-L384 HydrophobicContact CH2-CD2 4.47Å; Q352-L384 HydrophobicContact CG-CB 4.16Å; Q352-L384 HydrophobicContact CG-CD1 4.39Å; Q352-L384 HydrophobicContact CG-CD2 4.23Å; Q352-L384 HydrophobicContact CG-CG 4.5Å; Q352-L384 VanDerWaalsContact NE2-CB 3.33Å; Q352-L384 PolarHBondContact NE2-O 3.1Å; F355-L384 HydrophobicContact CD1-CD1 3.78Å; F355-L384 HydrophobicContact CE1-CD1 3.89Å; L356-L384 HydrophobicContact CD2-CB 4.27Å; L356-L384 HydrophobicContact CD2-CD1 4.17Å; I380-L384 HydrophobicContact CG2-CD1 3.85Å; I380-L384 HydrophobicContact CG2-CG 4.12Å; I380-L384 WeakPolarHBondContact O-CG 3.38Å; I380-L384 PolarHBondContact O-N 3.06Å

Retrieved 384 of 384 residues in 526.5 ms (Link to these results)