A0A2K5KVD8_CERAT Loading...

Glucosaminyl (N-acetyl) transferase 4

AlphaFold DB , UniProt , Accession A0A2K5KVD8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene GCNT4, Length 453 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.2Very low45.7Very low236 Ų236166.2 Ų166.2100%1.16378%0.779SS**  0109.10-101.1158.562.200109.2
2K33.8Very low47.5Very low199 Ų199164.1 Ų164.187%0.86578%0.775SS**  trans-80.8120.2174.9-74.6178.5176.7177.30108.6
3I41.3Very low49.1Very low152 Ų152163.8 Ų163.878%0.77977%0.773SS**  trans-87.9108.7172.2-63.1173.7000107.6K5I3-K5 PolarHBondContact O-N 3.38Å
4F37.6Very low50.5Low192 Ų192158 Ų15884%0.84275%0.746SS**  trans-73.1111167.3-94.7-91.9000108.9
5K43.2Very low52Low179 Ų179156.8 Ų156.878%0.77874%0.737SS**  trans-87105.6161.7-87-177.2173.8178.70108.3I3 Y7I3-K5 PolarHBondContact O-N 3.38Å; K5-Y7 PolarHBondContact O-N 3.2Å; K5-Y7 VanDerWaalsContact O-N 3.13Å
6C37.8Very low53.6Low115 Ų115151.3 Ų151.378%0.77772%0.717SS**  trans-64.7106167.1-90.20000109.6F8C6-F8 PolarHBondContact O-N 2.99Å
7Y44.1Very low55.3Low214 Ų214150.5 Ų150.584%0.83971%0.71SS**  trans-82.9103.4165-116-92.2000108K5 K9K5-Y7 PolarHBondContact O-N 3.2Å; K5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-K9 PolarHBondContact O-N 3Å
8F50.1Low56.7Low175 Ų175147.4 Ų147.477%0.76870%0.697SS**  trans-67.996.7165.6-105.1-89.3000108.1C6 H10C6-F8 PolarHBondContact O-N 2.99Å; F8-H10 PolarHBondContact O-N 3.33Å; F8-H10 VanDerWaalsContact O-N 3.07Å
9K52.1Low58.1Low184 Ų184145.1 Ų145.180%0.869%0.689SS**  trans-70.296.6166.3-94.6-177.3174.8178.20107.7Y7 T11Y7-K9 PolarHBondContact O-N 3Å; K9-T11 PolarHBondContact O-N 3.08Å
10H56Low59.5Low108 Ų108144.9 Ų144.950%0.569%0.686SS.*  trans-64.3116.5165.1-79.2-61.6000108.9F8 Q14F8-H10 PolarHBondContact O-N 3.33Å; F8-H10 VanDerWaalsContact O-N 3.07Å; H10-Q14 VanDerWaalsContact CA-OE1 3.24Å; H10-Q14 HydrophobicContact CB-CB 4.41Å; H10-Q14 PolarHBondContact ND1-OE1 3.09Å
11T65.5Low60.8Low74 Ų74141.7 Ų141.745%0.45467%0.673SS.*  trans-66.4154.4179.150.90000110.2K9 Q13 Q14 K15K9-T11 PolarHBondContact O-N 3.08Å; T11-Q13 PolarHBondContact O-N 3.18Å; T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 PolarHBondContact O-N 3.39Å; T11-K15 PolarHBondContact O-N 2.85Å
12L67.4Low62.7Low141 Ų141133.5 Ų133.574%0.73864%0.636SS**Hα-helixtrans-50-35178.9-173.667.9000112Q14 K15 V16L12-Q14 PolarHBondContact O-N 2.77Å; L12-K15 PolarHBondContact O-N 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.08Å; L12-V16 PolarHBondContact O-N 3.36Å
13Q68Low65.2Low160 Ų160128.6 Ų128.675%0.74862%0.619SS**Hα-helixtrans-59.2-40173.8-80176-33.500113.9T11 V16 F17T11-Q13 PolarHBondContact O-N 3.18Å; Q13-V16 PolarHBondContact O-N 3.21Å; Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.15Å
14Q68.9Low67.3Low83 Ų83128.7 Ų128.739%0.38861%0.609SS.*Hα-helixtrans-69.9-35.1178-76.7174.2-30.600112H10 T11 L12 F17 I18H10-Q14 VanDerWaalsContact CA-OE1 3.24Å; H10-Q14 HydrophobicContact CB-CB 4.41Å; H10-Q14 PolarHBondContact ND1-OE1 3.09Å; T11-Q14 WeakPolarHBondContact O-CB 3.46Å; T11-Q14 PolarHBondContact O-N 3.39Å; L12-Q14 PolarHBondContact O-N 2.77Å; Q14-F17 PolarHBondContact O-N 3.11Å; Q14-I18 VanDerWaalsContact O-CG1 3.26Å; Q14-I18 WeakPolarHBondContact O-CG1 3.43Å; Q14-I18 PolarHBondContact O-N 3.41Å
15K73Confident69.3Low140 Ų140123.5 Ų123.561%0.60959%0.59SS**Hα-helixtrans-67-41.4174.1-68-172.9177.6-175.80111.8T11 L12 F17 I18 L19T11-K15 PolarHBondContact O-N 2.85Å; L12-K15 PolarHBondContact O-N 3.23Å; K15-F17 VanDerWaalsContact C-N 3.35Å; K15-I18 PolarHBondContact O-N 3.12Å; K15-L19 PolarHBondContact O-N 3.38Å
16V78Confident70.9Confident69 Ų69120.2 Ų120.242%0.41858%0.58SS.*Hα-helixtrans-64.3-41.4175.1173.60000110.7L12 Q13 L19 F20L12-V16 WeakPolarHBondContact O-CG2 3.08Å; L12-V16 PolarHBondContact O-N 3.36Å; Q13-V16 PolarHBondContact O-N 3.21Å; V16-L19 WeakPolarHBondContact O-CB 3.43Å; V16-L19 PolarHBondContact O-N 3.08Å; V16-F20 HydrophobicContact CG1-CD2 3.79Å; V16-F20 HydrophobicContact CG1-CE2 3.99Å; V16-F20 WeakPolarHBondContact O-CD2 3.38Å; V16-F20 PolarHBondContact O-N 3.33Å
17F81.3Confident72.6Confident137 Ų137117.7 Ų117.760%0.60156%0.564SS**Hα-helixtrans-62.6-43.3176.4-174.8-98.3000112.5Q13 Q14 K15 L19 F20 L21Q13-F17 WeakPolarHBondContact O-CB 3.35Å; Q13-F17 PolarHBondContact O-N 3.15Å; Q14-F17 PolarHBondContact O-N 3.11Å; K15-F17 VanDerWaalsContact C-N 3.35Å; F17-L19 VanDerWaalsContact C-N 3.33Å; F17-L19 PolarHBondContact O-N 2.97Å; F17-F20 PolarHBondContact O-N 3.24Å; F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.4Å; F17-L21 PolarHBondContact O-N 2.98Å
18I81.9Confident74.1Confident95 Ų95110.4 Ų110.449%0.48754%0.539SS..Hα-helixtrans-63.8-39.8175.4-67.5165000110.9Q14 K15 L21 T22Q14-I18 VanDerWaalsContact O-CG1 3.26Å; Q14-I18 WeakPolarHBondContact O-CG1 3.43Å; Q14-I18 PolarHBondContact O-N 3.41Å; K15-I18 PolarHBondContact O-N 3.12Å; I18-L21 PolarHBondContact O-N 2.75Å; I18-T22 HydrophobicContact CG2-CG2 4.38Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 VanDerWaalsContact O-CG2 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.12Å; I18-T22 PolarHBondContact O-OG1 3.47Å
19L82.4Confident74.9Confident104 Ų104106.2 Ų106.255%0.54552%0.524SS..Hα-helixtrans-63.3-44.5175.8-164.887.3000111.5K15 V16 F17 T22 L23K15-L19 PolarHBondContact O-N 3.38Å; V16-L19 WeakPolarHBondContact O-CB 3.43Å; V16-L19 PolarHBondContact O-N 3.08Å; F17-L19 VanDerWaalsContact C-N 3.33Å; F17-L19 PolarHBondContact O-N 2.97Å; L19-T22 WeakPolarHBondContact CA-OG1 3.49Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 PolarHBondContact O-OG1 3.11Å; L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.21Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.04Å
20F86.3Confident75.5Confident141 Ų141105.8 Ų105.862%0.61852%0.522SS*.Hα-helixtrans-65.6-40.7175.8-95-81.1000112.1V16 F17 L23 W24V16-F20 HydrophobicContact CG1-CD2 3.79Å; V16-F20 HydrophobicContact CG1-CE2 3.99Å; V16-F20 WeakPolarHBondContact O-CD2 3.38Å; V16-F20 PolarHBondContact O-N 3.33Å; F17-F20 PolarHBondContact O-N 3.24Å; F20-L23 PolarHBondContact O-N 3.36Å; F20-W24 WeakPolarHBondContact O-CB 3.18Å; F20-W24 PolarHBondContact O-N 3.31Å
21L86.8Confident75.8Confident78 Ų78107.1 Ų107.141%0.40853%0.533SS..Hα-helixtrans-65.1-40.8177.9-169.973.2000111.6F17 I18 W24 L25F17-L21 VanDerWaalsContact O-CB 3.3Å; F17-L21 WeakPolarHBondContact O-CB 3.4Å; F17-L21 PolarHBondContact O-N 2.98Å; I18-L21 PolarHBondContact O-N 2.75Å; L21-W24 PolarHBondContact O-N 3.08Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å
22T82Confident75.5Confident64 Ų64108.7 Ų108.739%0.39354%0.538SS..Hα-helixtrans-68.8-42.5176.848.80000112I18 L19 W24 L25 L26I18-T22 HydrophobicContact CG2-CG2 4.38Å; I18-T22 WeakPolarHBondContact O-CB 3.47Å; I18-T22 VanDerWaalsContact O-CG2 3.3Å; I18-T22 WeakPolarHBondContact O-CG2 3.39Å; I18-T22 PolarHBondContact O-N 3.12Å; I18-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.49Å; L19-T22 PolarHBondContact O-N 3.46Å; L19-T22 PolarHBondContact O-OG1 3.11Å; T22-W24 VanDerWaalsContact C-N 3.34Å; T22-L25 PolarHBondContact O-N 3.47Å; T22-L26 WeakPolarHBondContact O-CB 3.26Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3Å
23L85.6Confident74.8Confident96 Ų96106.7 Ų106.750%0.50353%0.528SS..Hα-helixtrans-63.6-39.5172.8-74.6168.4000111.9L19 F20 L26 S27L19-L23 HydrophobicContact CD2-CD1 4.37Å; L19-L23 HydrophobicContact CG-CD1 4.21Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 VanDerWaalsContact O-CG 3.31Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.04Å; F20-L23 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 3.05Å; L23-S27 WeakPolarHBondContact O-CB 3.5Å; L23-S27 PolarHBondContact O-N 2.98Å
24W84.8Confident74Confident154 Ų154102.9 Ų102.958%0.58352%0.515SS*.Hα-helixtrans-66.2-44.6176.1-174.681000111.4F20 L21 T22 L26 S27 L28F20-W24 WeakPolarHBondContact O-CB 3.18Å; F20-W24 PolarHBondContact O-N 3.31Å; L21-W24 PolarHBondContact O-N 3.08Å; T22-W24 VanDerWaalsContact C-N 3.34Å; W24-L26 PolarHBondContact O-N 3.26Å; W24-S27 CarbonylContact O-C 3.56Å; W24-S27 PolarHBondContact O-N 2.69Å; W24-L28 HydrophobicContact CD2-CD1 4.35Å; W24-L28 HydrophobicContact CH2-CD1 3.82Å; W24-L28 HydrophobicContact CH2-CD2 4.34Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 HydrophobicContact CZ3-CD2 4.44Å; W24-L28 WeakPolarHBondContact O-CB 3.46Å; W24-L28 PolarHBondContact O-N 2.88Å
25L80.5Confident72.9Confident83 Ų83108.1 Ų108.144%0.43553%0.531SS..Hα-helixtrans-60.3-42.9172.8-89.9155000112.3L21 T22 S27 L28 L29L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CB 3.43Å; L21-L25 PolarHBondContact O-N 3.43Å; T22-L25 PolarHBondContact O-N 3.47Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 3.1Å
26L75.5Confident71.7Confident110 Ų110112.5 Ų112.558%0.57654%0.544SS*.Hα-helixtrans-63.9-39.7174.9-77.2165.7000111.6T22 L23 W24 L29 K30T22-L26 WeakPolarHBondContact O-CB 3.26Å; T22-L26 VanDerWaalsContact O-CG 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.32Å; T22-L26 PolarHBondContact O-N 3Å; L23-L26 PolarHBondContact O-N 3.05Å; W24-L26 PolarHBondContact O-N 3.26Å; L26-L29 WeakPolarHBondContact O-CB 3.31Å; L26-L29 PolarHBondContact O-N 3.12Å; L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.18Å
27S75.1Confident70.3Confident62 Ų62114.3 Ų114.343%0.43455%0.551SS.*Hα-helixtrans-70-35.3175.3-159.20000111.8L23 W24 L25 K30 L31L23-S27 WeakPolarHBondContact O-CB 3.5Å; L23-S27 PolarHBondContact O-N 2.98Å; W24-S27 CarbonylContact O-C 3.56Å; W24-S27 PolarHBondContact O-N 2.69Å; L25-S27 VanDerWaalsContact C-N 3.34Å; S27-K30 WeakPolarHBondContact O-CB 3.08Å; S27-K30 PolarHBondContact O-N 3.48Å; S27-L31 WeakPolarHBondContact O-CB 3.23Å; S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.06Å; S27-L31 PolarHBondContact O-N 3.22Å
28L74.6Confident68.7Low60 Ų60115.3 Ų115.331%0.31456%0.555SS.*Hα-helixtrans-67.2-40.3173.6-143.292.5000110.9W24 L25 K30 L31 L32W24-L28 HydrophobicContact CD2-CD1 4.35Å; W24-L28 HydrophobicContact CH2-CD1 3.82Å; W24-L28 HydrophobicContact CH2-CD2 4.34Å; W24-L28 HydrophobicContact CZ2-CD1 3.56Å; W24-L28 HydrophobicContact CZ3-CD1 4.3Å; W24-L28 HydrophobicContact CZ3-CD2 4.44Å; W24-L28 WeakPolarHBondContact O-CB 3.46Å; W24-L28 PolarHBondContact O-N 2.88Å; L25-L28 PolarHBondContact O-N 3.15Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.46Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 3.18Å; L28-L32 HydrophobicContact CD2-CD1 4.36Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 3.23Å
29L68.1Low67.2Low87 Ų87115.9 Ų115.946%0.45557%0.565SS.*Hα-helixtrans-62.4-35170.6-97.3146.7000112.1L25 L26L25-L29 WeakPolarHBondContact O-CB 3.41Å; L25-L29 PolarHBondContact O-N 3.1Å; L26-L29 WeakPolarHBondContact O-CB 3.31Å; L26-L29 PolarHBondContact O-N 3.12Å
30K64.8Low65.9Low176 Ų176117.5 Ų117.577%0.76557%0.57SS**Hα-helixtrans-71-38.1173.5-127.7179.4-179.3-1780112.3L26 S27 L28L26-K30 WeakPolarHBondContact O-CB 3.47Å; L26-K30 PolarHBondContact O-N 3.18Å; S27-K30 WeakPolarHBondContact O-CB 3.08Å; S27-K30 PolarHBondContact O-N 3.48Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.46Å
31L61.5Low64.8Low136 Ų136117.2 Ų117.271%0.71257%0.568SS**Hα-helixtrans-74.6-34177.1-80.8159000112.5S27 L28 N33S27-L31 WeakPolarHBondContact O-CB 3.23Å; S27-L31 WeakPolarHBondContact O-CD1 3.43Å; S27-L31 WeakPolarHBondContact O-CG 3.06Å; S27-L31 PolarHBondContact O-N 3.22Å; L28-L31 CarbonylContact O-C 3.59Å; L28-L31 PolarHBondContact O-N 3.18Å; L31-N33 PolarHBondContact O-N 3.48Å
32L60.2Low64.6Low107 Ų107118.8 Ų118.856%0.5658%0.577SS**SBendtrans-72.865.9166-71.6166.8000108.5L28 V34L28-L32 HydrophobicContact CD2-CD1 4.36Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.44Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.23Å; L28-L32 PolarHBondContact O-N 3.23Å; L32-V34 PolarHBondContact O-N 3.5Å
33N51.6Low64.8Low99 Ų99117.2 Ų117.253%0.52957%0.566SS.*  trans-2.992.4171.3-155.41.8000112.7L31 R35 R36L31-N33 PolarHBondContact O-N 3.48Å; N33-R35 PolarHBondContact O-N 3.43Å; N33-R36 PolarHBondContact O-N 2.76Å
34V52Low64.9Low79 Ų79114.9 Ų114.948%0.47955%0.551SS.*G310 helixtrans-52.2-21-176.1178.90000112.1L32 R36 L37 F38L32-V34 PolarHBondContact O-N 3.5Å; V34-R36 VanDerWaalsContact C-N 3.26Å; V34-R36 PolarHBondContact O-N 2.62Å; V34-L37 PolarHBondContact O-N 3.33Å; V34-L37 VanDerWaalsContact O-N 3.16Å; V34-F38 HydrophobicContact CG1-CD2 4.26Å; V34-F38 PolarHBondContact O-N 2.93Å
35R45Very low65.1Low194 Ų194108.8 Ų108.873%0.73253%0.529SS*.G310 helixtrans-55-27.9167.7-87.2-176.1168.6-177.1-2.9115.6N33 F38N33-R35 PolarHBondContact O-N 3.43Å; R35-F38 CarbonylContact O-C 3.59Å
36R47.3Very low65.5Low231 Ų231105.6 Ų105.687%0.87251%0.513SS*.G310 helixtrans-81.9-25.5176.5-95.8-172.9177.6175.7-0.2113.1N33 V34N33-R36 PolarHBondContact O-N 2.76Å; V34-R36 VanDerWaalsContact C-N 3.26Å; V34-R36 PolarHBondContact O-N 2.62Å
37L48.5Very low66.1Low108 Ų108103.3 Ų103.357%0.56550%0.5SS*.THydrogen-bonded Turntrans-83.4-27.4179.1-88.3148.8000112.3V34V34-L37 PolarHBondContact O-N 3.33Å; V34-L37 VanDerWaalsContact O-N 3.16Å
38F47.6Very low66.3Low158 Ų158103 Ų10369%0.69349%0.489SS*.SBendtrans-129.689.5173.5-62.8-82.6000108.9V34 R35 Q40V34-F38 HydrophobicContact CG1-CD2 4.26Å; V34-F38 PolarHBondContact O-N 2.93Å; R35-F38 CarbonylContact O-C 3.59Å; F38-Q40 PolarHBondContact O-N 3.16Å; F38-Q40 VanDerWaalsContact O-N 3.14Å
39P51.3Low66.6Low106 Ų106104.6 Ų104.669%0.68851%0.505SS*.PPolyproline II helixtrans-54.7124.9168.921.8-29.8000107.9K41P39-K41 PolarHBondContact O-N 2.63Å; P39-K41 VanDerWaalsContact O-N 3.13Å
40Q55.3Low67.3Low139 Ų139101.7 Ų101.765%0.6549%0.49SS*.PPolyproline II helixtrans-61.4118.4176.2-166.1168.55.500106.7F38 D42F38-Q40 PolarHBondContact O-N 3.16Å; F38-Q40 VanDerWaalsContact O-N 3.14Å; Q40-D42 PolarHBondContact O-N 2.93Å
41K63.9Low68.2Low135 Ų13593.5 Ų93.559%0.58746%0.455SS*.PPolyproline II helixtrans-57.6135.5173.6-74.8-175.4173.1-171.30108.1P39 R92 D94P39-K41 PolarHBondContact O-N 2.63Å; P39-K41 VanDerWaalsContact O-N 3.13Å; K41-R92 WeakPolarHBondContact CD-O 3.44Å; K41-D94 HydrophobicContact CB-CB 4.3Å
42D81.6Confident69.2Low111 Ų11189.5 Ų89.559%0.59444%0.437SS*.PPolyproline II helixtrans-55.8151.9166.6-70.4-33.8000109.1Q40 R93 D94Q40-D42 PolarHBondContact O-N 2.93Å; D42-R93 HydrophobicContact CB-CG 4.03Å; D42-R93 CarbonylContact O-C 3.6Å; D42-R93 VanDerWaalsContact O-CA 3.25Å; D42-R93 WeakPolarHBondContact O-CA 3.39Å; D42-R93 WeakPolarHBondContact O-CB 3.45Å; D42-D94 PolarHBondContact O-N 3.25Å
43I85.9Confident70.2Confident30 Ų3086.2 Ų86.215%0.15442%0.423CS..EExtended strand (participates in β ladder)trans-102.1141.6-177.5-57.8-159.7000109.5L45 F55 D94 I96I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.18Å; I43-F55 HydrophobicContact CD1-CE1 4.45Å; I43-F55 HydrophobicContact CD1-CZ 4.11Å; I43-D94 CarbonylContact C-O 3.57Å; I43-D94 WeakPolarHBondContact CA-O 3.33Å; I43-D94 HydrophobicContact CG1-CB 4.38Å; I43-I96 HydrophobicContact CD1-CD1 3.88Å; I43-I96 HydrophobicContact CG2-CB 4.47Å; I43-I96 HydrophobicContact CG2-CD1 3.71Å; I43-I96 HydrophobicContact CG2-CG1 3.98Å
44Y88Confident71.5Confident48 Ų4886 Ų8619%0.18843%0.426CS..EExtended strand (participates in β ladder)trans-116.4123.8165.8-175.1-97.5000109V46 I90 D94 I95 I96 P418 I419Y44-V46 HydrophobicContact CD1-CG2 4.13Å; Y44-V46 HydrophobicContact CE1-CG2 4.08Å; Y44-I90 HydrophobicContact CD1-CG2 3.65Å; Y44-I90 HydrophobicContact CD2-CB 4.42Å; Y44-I90 HydrophobicContact CD2-CD1 4.26Å; Y44-I90 HydrophobicContact CD2-CG1 3.9Å; Y44-I90 HydrophobicContact CD2-CG2 3.79Å; Y44-I90 HydrophobicContact CE1-CG2 3.92Å; Y44-I90 HydrophobicContact CE2-CD1 3.7Å; Y44-I90 HydrophobicContact CE2-CG1 3.88Å; Y44-I90 HydrophobicContact CE2-CG2 4.06Å; Y44-I90 HydrophobicContact CG-CG2 3.58Å; Y44-D94 PolarHBondContact N-O 2.94Å; Y44-I95 HydrophobicContact CD1-CG2 4.49Å; Y44-I95 WeakPolarHBondContact O-CA 3.46Å; Y44-I96 PolarHBondContact O-N 3.23Å; Y44-P418 HydrophobicContact CD1-CG 4.18Å; Y44-P418 HydrophobicContact CE1-CG 3.86Å; Y44-I419 WeakPolarHBondContact OH-CD1 3.25Å
45L88.7Confident72.7Confident25 Ų2587.2 Ų87.213%0.13143%0.425CS..EExtended strand (participates in β ladder)trans-101.1123.9-179.3-56.7172.5000109.5I43 Y48 V56 I96I43-L45 HydrophobicContact CG2-CD2 3.67Å; I43-L45 HydrophobicContact CG2-CG 4.18Å; L45-Y48 HydrophobicContact CB-CD1 4.42Å; L45-V56 HydrophobicContact CD1-CG1 4.05Å; L45-V56 HydrophobicContact CD2-CG1 4.26Å; L45-V56 HydrophobicContact CD2-CG2 4.32Å; L45-I96 WeakPolarHBondContact CA-O 3.44Å; L45-I96 HydrophobicContact CD2-CB 3.91Å; L45-I96 HydrophobicContact CD2-CD1 4.37Å; L45-I96 HydrophobicContact CD2-CG2 4.25Å
46V90.3Very high74.2Confident17 Ų1778.3 Ų78.310%0.10339%0.392CS..SBendtrans-90.5129.8176.4-171.10000109Y44 Y48 I95 I96 D97 R148 P418Y44-V46 HydrophobicContact CD1-CG2 4.13Å; Y44-V46 HydrophobicContact CE1-CG2 4.08Å; V46-Y48 PolarHBondContact O-N 2.99Å; V46-I95 HydrophobicContact CG2-CG2 3.72Å; V46-I96 PolarHBondContact N-O 3.27Å; V46-D97 HydrophobicContact CB-CB 4.1Å; V46-D97 WeakPolarHBondContact CB-OD1 3.37Å; V46-D97 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D97 HydrophobicContact CG2-CB 4.15Å; V46-R148 VanDerWaalsContact CG1-NH2 3.31Å; V46-P418 HydrophobicContact CG1-CB 4.16Å; V46-P418 HydrophobicContact CG2-CB 3.66Å; V46-P418 HydrophobicContact CG2-CG 3.94Å
47E86.1Confident75.5Confident62 Ų6274 Ų7429%0.2938%0.376SS..SBendtrans44.840.7176.9-64-172.899.600113.9S49 L50 L98 R117 R148E47-S49 PolarHBondContact O-N 3.45Å; E47-L50 HydrophobicContact CB-CD1 4.31Å; E47-L50 WeakPolarHBondContact O-CB 3.5Å; E47-L50 PolarHBondContact O-N 3.44Å; E47-L98 HydrophobicContact CB-CD1 4.12Å; E47-R117 IonicContact OE1-CZ 2.64Å; E47-R117 IonicContact OE1-NH1 3.68Å; E47-R117 PolarHBondContact OE1-NH1 3.11Å; E47-R117 IonicContact OE1-NH2 2.73Å; E47-R117 PolarHBondContact OE1-NH2 3.28Å; E47-R117 IonicContact OE2-NH2 2.9Å; E47-R148 IonicContact OE2-CZ 3.41Å; E47-R148 VanDerWaalsContact OE2-CZ 3.24Å; E47-R148 IonicContact OE2-NE 2.68Å; E47-R148 PolarHBondContact OE2-NE 2.77Å; E47-R148 IonicContact OE2-NH2 3.21Å; E47-R148 PolarHBondContact OE2-NH2 3.26Å
48Y80.6Confident76.5Confident55 Ų5574.2 Ų74.222%0.21638%0.378CS..G310 helixtrans-55.8-25.6-169.662.6-100.2000114.3L45 V46 L50 S51 Y60 E66L45-Y48 HydrophobicContact CB-CD1 4.42Å; V46-Y48 PolarHBondContact O-N 2.99Å; Y48-L50 PolarHBondContact O-N 3.03Å; Y48-S51 WeakPolarHBondContact O-CB 3.37Å; Y48-S51 PolarHBondContact O-N 3.06Å; Y48-S51 VanDerWaalsContact O-N 3.1Å; Y48-Y60 AromaticContact CD2-CD2 3.45Å; Y48-Y60 HydrophobicContact CD2-CD2 3.45Å; Y48-Y60 VanDerWaalsContact CD2-CD2 3.45Å; Y48-Y60 AromaticContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CG 4.09Å; Y48-Y60 AromaticContact CE2-CD2 3.21Å; Y48-Y60 HydrophobicContact CE2-CD2 3.21Å; Y48-Y60 AromaticContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CG 4.15Å; Y48-Y60 AromaticContact CE2-CZ 3.7Å; Y48-Y60 HydrophobicContact CG-CD2 4.34Å; Y48-Y60 AromaticContact CZ-CD2 3.83Å; Y48-Y60 AromaticContact CZ-CE2 3.43Å; Y48-Y60 VanDerWaalsContact CZ-CE2 3.43Å; Y48-Y60 WeakPolarHBondContact OH-CE2 3.3Å; Y48-E66 WeakPolarHBondContact CE1-OE1 2.89Å; Y48-E66 VanDerWaalsContact OH-CD 3.3Å; Y48-E66 PolarHBondContact OH-OE1 3.04Å; Y48-E66 PolarHBondContact OH-OE2 2.06Å
49S80.1Confident77.5Confident93 Ų9370.6 Ų70.665%0.6536%0.36SS*.G310 helixtrans-62.1-21.2178.654.60000112.5E47E47-S49 PolarHBondContact O-N 3.45Å
50L84.1Confident78Confident27 Ų2771 Ų7114%0.14135%0.348CS..G310 helixtrans-96.8-8-179.9-52.8-175.6000112.9E47 Y48 L98 M106 L116 R117E47-L50 HydrophobicContact CB-CD1 4.31Å; E47-L50 WeakPolarHBondContact O-CB 3.5Å; E47-L50 PolarHBondContact O-N 3.44Å; Y48-L50 PolarHBondContact O-N 3.03Å; L50-L98 HydrophobicContact CB-CD1 3.81Å; L50-L98 HydrophobicContact CB-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.25Å; L50-M106 HydrophobicContact CD1-CE 3.89Å; L50-L116 HydrophobicContact CD2-CD1 4.47Å; L50-L116 HydrophobicContact CD2-CD2 3.59Å; L50-L116 HydrophobicContact CD2-CG 4.44Å; L50-R117 VanDerWaalsContact CD1-NH1 3.34Å
51S83.7Confident77.9Confident4 Ų469 Ų693%0.02835%0.346CS..  trans-74.1137.6-177.8-169.70000111.7Y48 S53 R57 D102Y48-S51 WeakPolarHBondContact O-CB 3.37Å; Y48-S51 PolarHBondContact O-N 3.06Å; Y48-S51 VanDerWaalsContact O-N 3.1Å; S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.49Å; S51-R57 PolarHBondContact O-NE 2.87Å; S51-R57 PolarHBondContact O-NH2 3.32Å; S51-D102 PolarHBondContact OG-OD2 3.21Å
52T82.5Confident77.4Confident52 Ų5269.9 Ų69.932%0.31935%0.352SS..  trans-87.9-15170.566.70000112.6P54 D102 A105T52-P54 WeakPolarHBondContact O-CD 3.28Å; T52-D102 WeakPolarHBondContact CA-OD1 3.15Å; T52-D102 VanDerWaalsContact CB-OD1 3.29Å; T52-D102 WeakPolarHBondContact CB-OD1 3.41Å; T52-D102 PolarHBondContact N-OD1 3.28Å; T52-D102 PolarHBondContact OG1-OD1 2.92Å; T52-A105 HydrophobicContact CG2-CB 3.34Å
53S80.9Confident76.2Confident38 Ų3867.5 Ų67.527%0.26634%0.341SS..  trans-60.1120.8-177.5175.70000111.5S51 F55 V56 R57S51-S53 WeakPolarHBondContact OG-CB 3.37Å; S51-S53 PolarHBondContact OG-N 3.49Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 PolarHBondContact OG-N 2.64Å; S53-V56 PolarHBondContact O-N 3.47Å; S53-V56 VanDerWaalsContact O-N 3.11Å; S53-V56 PolarHBondContact OG-N 3.45Å; S53-R57 WeakPolarHBondContact O-CG 3.41Å; S53-R57 PolarHBondContact O-N 3.44Å
54P77.5Confident74.5Confident93 Ų9376 Ų7660%0.60438%0.377SS*.Hα-helixtrans-59.1-31.9174.4-24.434.2000112T52 N58T52-P54 WeakPolarHBondContact O-CD 3.28Å; P54-N58 WeakPolarHBondContact O-CB 3.23Å; P54-N58 PolarHBondContact O-N 3.04Å; P54-N58 PolarHBondContact O-ND2 2.87Å; P54-N58 VanDerWaalsContact O-ND2 3.12Å
55F78.9Confident72.8Confident105 Ų10578.5 Ų78.546%0.46139%0.394SS..Hα-helixtrans-63.8-47.3175.3169.5-94.6000111.6I43 S53 R59 I96I43-F55 HydrophobicContact CD1-CE1 4.45Å; I43-F55 HydrophobicContact CD1-CZ 4.11Å; S53-F55 PolarHBondContact O-N 3.03Å; S53-F55 PolarHBondContact OG-N 2.64Å; F55-R59 WeakPolarHBondContact O-CB 3.19Å; F55-R59 PolarHBondContact O-N 3.07Å; F55-I96 HydrophobicContact CE1-CD1 3.76Å
56V76.2Confident71.1Confident7 Ų781.2 Ų81.24%0.04241%0.406CS..Hα-helixtrans-64-47.6177.9177.40000110.1L45 S53 N58 R59 Y60 I96L45-V56 HydrophobicContact CD1-CG1 4.05Å; L45-V56 HydrophobicContact CD2-CG1 4.26Å; L45-V56 HydrophobicContact CD2-CG2 4.32Å; S53-V56 PolarHBondContact O-N 3.47Å; S53-V56 VanDerWaalsContact O-N 3.11Å; S53-V56 PolarHBondContact OG-N 3.45Å; V56-N58 PolarHBondContact O-N 2.73Å; V56-R59 PolarHBondContact O-N 2.92Å; V56-Y60 WeakPolarHBondContact O-CB 3.48Å; V56-Y60 PolarHBondContact O-N 2.84Å; V56-I96 HydrophobicContact CG2-CG2 4.3Å
57R74.7Confident69.4Low141 Ų14186.5 Ų86.553%0.53244%0.437SS..Hα-helixtrans-62.9-39179.1-69.6-177.9177.7-170.4-1.1113.9S51 S53 Y60S51-R57 PolarHBondContact O-NE 2.87Å; S51-R57 PolarHBondContact O-NH2 3.32Å; S53-R57 WeakPolarHBondContact O-CG 3.41Å; S53-R57 PolarHBondContact O-N 3.44Å; R57-Y60 WeakPolarHBondContact O-CB 3.29Å
58N69.4Low68Low113 Ų11391.5 Ų91.560%0.60445%0.454SS*.Hα-helixtrans-75.5-27.5178.2-70.5-21.5000112.7P54 V56 T61P54-N58 WeakPolarHBondContact O-CB 3.23Å; P54-N58 PolarHBondContact O-N 3.04Å; P54-N58 PolarHBondContact O-ND2 2.87Å; P54-N58 VanDerWaalsContact O-ND2 3.12Å; V56-N58 PolarHBondContact O-N 2.73Å; N58-T61 PolarHBondContact O-OG1 3.18Å; N58-T61 VanDerWaalsContact O-OG1 3.05Å
59R67.8Low67.3Low82 Ų8290.8 Ų90.831%0.30945%0.451SS..Hα-helixtrans-79.5-30176.6-155.4177.5-164.1135.3-5.7111.6F55 V56 T61 H62 V63F55-R59 WeakPolarHBondContact O-CB 3.19Å; F55-R59 PolarHBondContact O-N 3.07Å; V56-R59 PolarHBondContact O-N 2.92Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.01Å; R59-H62 PolarHBondContact O-N 3.32Å; R59-H62 VanDerWaalsContact O-N 3.14Å; R59-V63 WeakPolarHBondContact O-CG2 3.26Å
60Y61.1Low67.4Low113 Ų11393 Ų9344%0.44345%0.451SS..Hα-helixtrans-53.6-40.8176.2170.4-117.5000113.4Y48 V56 R57 H62 V63Y48-Y60 AromaticContact CD2-CD2 3.45Å; Y48-Y60 HydrophobicContact CD2-CD2 3.45Å; Y48-Y60 VanDerWaalsContact CD2-CD2 3.45Å; Y48-Y60 AromaticContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CE2 3.74Å; Y48-Y60 HydrophobicContact CD2-CG 4.09Å; Y48-Y60 AromaticContact CE2-CD2 3.21Å; Y48-Y60 HydrophobicContact CE2-CD2 3.21Å; Y48-Y60 AromaticContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CE2 2.97Å; Y48-Y60 HydrophobicContact CE2-CG 4.15Å; Y48-Y60 AromaticContact CE2-CZ 3.7Å; Y48-Y60 HydrophobicContact CG-CD2 4.34Å; Y48-Y60 AromaticContact CZ-CD2 3.83Å; Y48-Y60 AromaticContact CZ-CE2 3.43Å; Y48-Y60 VanDerWaalsContact CZ-CE2 3.43Å; Y48-Y60 WeakPolarHBondContact OH-CE2 3.3Å; V56-Y60 WeakPolarHBondContact O-CB 3.48Å; V56-Y60 PolarHBondContact O-N 2.84Å; R57-Y60 WeakPolarHBondContact O-CB 3.29Å; Y60-H62 PolarHBondContact O-N 3.17Å; Y60-V63 PolarHBondContact O-N 2.94Å
61T53.7Low67.8Low98 Ų9892.1 Ų92.160%0.60145%0.447SS*.THydrogen-bonded Turntrans-64-8.3-179.256.30000114.2N58 R59N58-T61 PolarHBondContact O-OG1 3.18Å; N58-T61 VanDerWaalsContact O-OG1 3.05Å; R59-T61 VanDerWaalsContact C-N 3.3Å; R59-T61 PolarHBondContact O-N 3.01Å
62H53.3Low68.4Low154 Ų15495.8 Ų95.871%0.71347%0.466SS*.THydrogen-bonded Turntrans-118.2-0.4-179.1-65.1-68.3000114.7R59 Y60 K64R59-H62 PolarHBondContact O-N 3.32Å; R59-H62 VanDerWaalsContact O-N 3.14Å; Y60-H62 PolarHBondContact O-N 3.17Å; H62-K64 VanDerWaalsContact C-N 3.32Å; H62-K64 PolarHBondContact O-N 3.43Å
63V56.7Low69.1Low61 Ų6193.4 Ų93.437%0.3745%0.451SS..  trans-83.275.7178-167.90000109.6R59 Y60 D65 E66R59-V63 WeakPolarHBondContact O-CG2 3.26Å; Y60-V63 PolarHBondContact O-N 2.94Å; V63-D65 VanDerWaalsContact C-N 3.26Å; V63-D65 PolarHBondContact O-N 3.38Å; V63-E66 HydrophobicContact CG1-CG 3.84Å
64K51Low69.9Low209 Ų20994 Ų9491%0.90946%0.455SS*.THydrogen-bonded Turntrans-80.25.5178-87.3-173175-176.60114.9H62H62-K64 VanDerWaalsContact C-N 3.32Å; H62-K64 PolarHBondContact O-N 3.43Å
65D51.2Low70.8Confident100 Ų10089.5 Ų89.554%0.53543%0.427SS..THydrogen-bonded Turntrans-113.319.8-171.6-114.6-7.8000114V63 V67 R68V63-D65 VanDerWaalsContact C-N 3.26Å; V63-D65 PolarHBondContact O-N 3.38Å; D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.05Å; D65-R68 PolarHBondContact O-N 2.83Å
66E53.2Low71.7Confident82 Ų8284.6 Ų84.638%0.38341%0.405SS..G310 helixtrans-62.9-29.9-173.5-74.7-171.4160.400114.6Y48 V63 R68 E70Y48-E66 WeakPolarHBondContact CE1-OE1 2.89Å; Y48-E66 VanDerWaalsContact OH-CD 3.3Å; Y48-E66 PolarHBondContact OH-OE1 3.04Å; Y48-E66 PolarHBondContact OH-OE2 2.06Å; V63-E66 HydrophobicContact CG1-CG 3.84Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.09Å; E66-E70 PolarHBondContact O-N 3.43Å
67V54.5Low72.8Confident127 Ų12786.3 Ų86.377%0.7741%0.411SS*.G310 helixtrans-68.9-27.1-179.5-173.80000112D65 Y69D65-V67 VanDerWaalsContact C-N 3.32Å; D65-V67 PolarHBondContact O-N 3.05Å; V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.84Å
68R57Low73.9Confident167 Ų16784.7 Ų84.763%0.6341%0.409SS*.G310 helixtrans-74-23.1-174.4-168.6174.2178.7-174.5-1.4113.3D65 E66D65-R68 PolarHBondContact O-N 2.83Å; E66-R68 VanDerWaalsContact C-N 3.27Å; E66-R68 PolarHBondContact O-N 3.09Å
69Y65Low75.1Confident40 Ų4083.3 Ų83.316%0.15740%0.399CS..G310 helixtrans-119.113.6-176-61.1-74.1000113.2V67 V71 E89 R93V67-Y69 VanDerWaalsContact C-N 3.32Å; V67-Y69 PolarHBondContact O-N 2.84Å; Y69-V71 PolarHBondContact O-N 3.27Å; Y69-E89 HydrophobicContact CE1-CG 3.92Å; Y69-R93 PolarHBondContact OH-NH2 2.68Å
70E83.9Confident76.6Confident140 Ų14083.5 Ų83.565%0.65440%0.404SS*.  trans-62.2120166-168.9173.7-169.500108.6E66 K86E66-E70 PolarHBondContact O-N 3.43Å; E70-K86 PolarHBondContact O-NZ 3.13Å
71V92.2Very high78.3Confident9 Ų983.7 Ų83.76%0.05542%0.419CS..  trans-98125.4-178.9179.80000109.5Y69 C73 I76 E83 K86 T87 I90 I419Y69-V71 PolarHBondContact O-N 3.27Å; V71-C73 PolarHBondContact O-N 3.36Å; V71-I76 HydrophobicContact CG1-CD1 3.69Å; V71-I76 HydrophobicContact CG1-CG1 3.51Å; V71-E83 WeakPolarHBondContact CA-OE2 3.33Å; V71-K86 HydrophobicContact CG2-CB 4.07Å; V71-K86 HydrophobicContact CG2-CD 4.42Å; V71-T87 HydrophobicContact CG1-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 4.49Å; V71-I90 HydrophobicContact CG2-CD1 3.94Å; V71-I419 HydrophobicContact CB-CD1 4.39Å; V71-I419 HydrophobicContact CB-CG2 4.08Å; V71-I419 HydrophobicContact CG1-CG2 3.68Å; V71-I419 HydrophobicContact CG2-CD1 4.01Å; V71-I419 HydrophobicContact CG2-CG1 4.28Å; V71-I419 HydrophobicContact CG2-CG2 4.27Å
72N95.4Very high80.2Confident80 Ų8084.8 Ų84.843%0.42842%0.42SS..  trans-84108.1173178.50.7000109.9S74 G75 I76 E83N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 2.78Å; N72-S74 WeakPolarHBondContact OD1-CB 3.41Å; N72-S74 PolarHBondContact OD1-N 3.49Å; N72-G75 WeakPolarHBondContact O-CA 3.28Å; N72-G75 PolarHBondContact O-N 2.85Å; N72-I76 PolarHBondContact O-N 2.86Å; N72-E83 HydrophobicContact CB-CG 4.24Å; N72-E83 PolarHBondContact N-OE2 3.14Å
73C97.5Very high82.3Confident2 Ų278 Ų781%0.01439%0.389CS..Hα-helixtrans-65.4-25.3-178.4-68.10000114.1V71 I76 Y77 C423 E426V71-C73 PolarHBondContact O-N 3.36Å; C73-I76 PolarHBondContact O-N 3.35Å; C73-Y77 WeakPolarHBondContact O-CB 3.28Å; C73-Y77 PolarHBondContact O-N 3.5Å; C73-C423 WeakPolarHBondContact CA-SG 3.38Å; C73-C423 HydrophobicContact CB-CB 3.45Å; C73-C423 VanDerWaalsContact CB-CB 3.45Å; C73-C423 WeakPolarHBondContact CB-SG 3.38Å; C73-C423 WeakPolarHBondContact SG-CA 3.42Å; C73-C423 WeakPolarHBondContact SG-CB 3.27Å; C73-C423 CovalentContact SG-SG 2.03Å; C73-C423 PolarHBondContact SG-SG 3.33Å; C73-E426 VanDerWaalsContact CB-OE2 3.25Å; C73-E426 WeakPolarHBondContact CB-OE2 3.5Å; C73-E426 PolarHBondContact SG-OE2 2.96Å
74S97.4Very high84.2Confident50 Ų5076.4 Ų76.435%0.3538%0.378SS..Hα-helixtrans-67-40.9169.2-63.40000111.5N72 I76 Y77 E78 K427N72-S74 VanDerWaalsContact C-N 3.26Å; N72-S74 PolarHBondContact O-N 2.78Å; N72-S74 WeakPolarHBondContact OD1-CB 3.41Å; N72-S74 PolarHBondContact OD1-N 3.49Å; S74-I76 PolarHBondContact O-N 3.17Å; S74-Y77 PolarHBondContact O-N 3.31Å; S74-E78 PolarHBondContact O-N 2.8Å; S74-K427 PolarHBondContact OG-NZ 3.37Å
75G97.6Very high86.3Confident0 Ų068 Ų680%035%0.351CS..Hα-helixtrans-66.5-35.817500000112.6N72 E78 Q79 E80N72-G75 WeakPolarHBondContact O-CA 3.28Å; N72-G75 PolarHBondContact O-N 2.85Å; G75-E78 CarbonylContact O-C 3.54Å; G75-E78 PolarHBondContact O-N 3.11Å; G75-Q79 PolarHBondContact O-N 3.42Å; G75-E80 WeakPolarHBondContact O-CB 3.17Å; G75-E80 PolarHBondContact O-N 2.72Å
76I98Very high88.3Confident1 Ų165.3 Ų65.31%0.00534%0.335CS..Hα-helixtrans-61.5-46.4170.5-59.2-63.5000111.1V71 N72 C73 S74 E78 Q79 E83 I84 T87 A395 L398V71-I76 HydrophobicContact CG1-CD1 3.69Å; V71-I76 HydrophobicContact CG1-CG1 3.51Å; N72-I76 PolarHBondContact O-N 2.86Å; C73-I76 PolarHBondContact O-N 3.35Å; S74-I76 PolarHBondContact O-N 3.17Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.27Å; I76-Q79 PolarHBondContact O-N 3.2Å; I76-E83 HydrophobicContact CD1-CB 3.55Å; I76-E83 WeakPolarHBondContact CD1-O 3.25Å; I76-E83 HydrophobicContact CG1-CB 4.14Å; I76-I84 HydrophobicContact CD1-CD1 3.88Å; I76-I84 HydrophobicContact CG2-CD1 4.13Å; I76-T87 HydrophobicContact CD1-CG2 3.46Å; I76-T87 VanDerWaalsContact CD1-CG2 3.46Å; I76-T87 HydrophobicContact CG1-CG2 4.47Å; I76-A395 HydrophobicContact CG2-CB 4.15Å; I76-A395 WeakPolarHBondContact CG2-O 3.21Å; I76-L398 HydrophobicContact CB-CD2 4.07Å; I76-L398 HydrophobicContact CG2-CB 3.95Å; I76-L398 HydrophobicContact CG2-CD2 3.66Å; I76-L398 HydrophobicContact CG2-CG 4.47Å
77Y97.8Very high90.3Very high44 Ų4461.5 Ų61.517%0.17332%0.317CS..Hα-helixtrans-61.9-41.2177.3-178.5-92.8000111.3C73 S74 Q79 L398 R399 I402 K403 K427C73-Y77 WeakPolarHBondContact O-CB 3.28Å; C73-Y77 PolarHBondContact O-N 3.5Å; S74-Y77 PolarHBondContact O-N 3.31Å; Y77-Q79 PolarHBondContact O-N 3.14Å; Y77-L398 HydrophobicContact CD2-CG 4.47Å; Y77-R399 HydrophobicContact CD2-CB 4.08Å; Y77-R399 HydrophobicContact CD2-CG 4.38Å; Y77-R399 HydrophobicContact CE2-CB 4.2Å; Y77-R399 HydrophobicContact CE2-CG 4.06Å; Y77-R399 VanDerWaalsContact O-CB 3.27Å; Y77-R399 WeakPolarHBondContact O-CB 3.44Å; Y77-R399 WeakPolarHBondContact O-CD 3.39Å; Y77-I402 HydrophobicContact CD2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CB 4.37Å; Y77-I402 HydrophobicContact CE2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CG2 4.31Å; Y77-K403 VanDerWaalsContact OH-CE 3.27Å; Y77-K403 WeakPolarHBondContact OH-CE 3.41Å; Y77-K427 HydrophobicContact CD2-CD 4.31Å; Y77-K427 HydrophobicContact CG-CD 4.3Å
78E97.7Very high92.2Very high106 Ų10659.2 Ų59.250%0.49530%0.3SS..THydrogen-bonded Turntrans-76.80.5175.5-64.5-52.3150.500114.4S74 G75 I76 E80 R399S74-E78 PolarHBondContact O-N 2.8Å; G75-E78 CarbonylContact O-C 3.54Å; G75-E78 PolarHBondContact O-N 3.11Å; I76-E78 VanDerWaalsContact C-N 3.33Å; I76-E78 PolarHBondContact O-N 3.27Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 HydrophobicContact CB-CG 4.41Å; E78-R399 IonicContact OE2-NH1 3.07Å; E78-R399 PolarHBondContact OE2-NH1 3Å
79Q96.1Very high93.9Very high84 Ų8455.1 Ų55.139%0.39329%0.288SS..THydrogen-bonded Turntrans59.538.1-178.7-58.9-174.9-32.900113G75 I76 Y77 P81G75-Q79 PolarHBondContact O-N 3.42Å; I76-Q79 PolarHBondContact O-N 3.2Å; Y77-Q79 PolarHBondContact O-N 3.14Å; Q79-P81 WeakPolarHBondContact O-CD 3.2Å
80E97.6Very high95.1Very high86 Ų8653.2 Ų53.240%0.40228%0.28SS..  trans-63.2122.5174.8-69.1-177.4-173.200110.8G75 E78 L82 E83 I84G75-E80 WeakPolarHBondContact O-CB 3.17Å; G75-E80 PolarHBondContact O-N 2.72Å; E78-E80 VanDerWaalsContact C-N 3.31Å; E78-E80 HydrophobicContact CB-CG 4.41Å; E80-L82 PolarHBondContact O-N 2.94Å; E80-L82 VanDerWaalsContact O-N 3.11Å; E80-E83 HydrophobicContact CB-CB 4.44Å; E80-E83 HydrophobicContact CB-CG 4.35Å; E80-E83 PolarHBondContact O-N 3.35Å; E80-E83 VanDerWaalsContact O-N 3.13Å; E80-I84 WeakPolarHBondContact O-CG1 3.28Å; E80-I84 PolarHBondContact O-N 3.43Å
81P96.5Very high95.5Very high117 Ų11749.4 Ų49.476%0.7626%0.26SS*.Hα-helixtrans-57.1-32.6-174.9-2935.6000114.5Q79 G85Q79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-G85 PolarHBondContact O-N 3.4Å
82L95.2Very high95.5Very high121 Ų12157.4 Ų57.463%0.63429%0.289SS*.Hα-helixtrans-65.1-49.7177.8178.662.9000111.5E80 G85 K86E80-L82 PolarHBondContact O-N 2.94Å; E80-L82 VanDerWaalsContact O-N 3.11Å; L82-G85 PolarHBondContact O-N 2.89Å; L82-K86 WeakPolarHBondContact O-CG 3.31Å; L82-K86 PolarHBondContact O-N 3.08Å
83E96.3Very high95.3Very high12 Ų1255.6 Ų55.66%0.05628%0.276CS..Hα-helixtrans-67.4-43.1-178.8-63.9-55.2132.700110.7V71 N72 I76 E80 G85 K86 T87V71-E83 WeakPolarHBondContact CA-OE2 3.33Å; N72-E83 HydrophobicContact CB-CG 4.24Å; N72-E83 PolarHBondContact N-OE2 3.14Å; I76-E83 HydrophobicContact CD1-CB 3.55Å; I76-E83 WeakPolarHBondContact CD1-O 3.25Å; I76-E83 HydrophobicContact CG1-CB 4.14Å; E80-E83 HydrophobicContact CB-CB 4.44Å; E80-E83 HydrophobicContact CB-CG 4.35Å; E80-E83 PolarHBondContact O-N 3.35Å; E80-E83 VanDerWaalsContact O-N 3.13Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.42Å; E83-K86 WeakPolarHBondContact O-CB 3.38Å; E83-K86 PolarHBondContact O-N 3.5Å; E83-K86 VanDerWaalsContact O-N 3.17Å; E83-K86 WeakPolarHBondContact OE1-CE 3.39Å; E83-K86 IonicContact OE1-NZ 2.68Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 3.27Å; E83-K86 PolarHBondContact OE2-NZ 3.22Å; E83-T87 WeakPolarHBondContact O-CG2 3.04Å; E83-T87 PolarHBondContact O-N 3.32Å
84I96.4Very high94.9Very high28 Ų2859.4 Ų59.414%0.14430%0.297CS..Hα-helixtrans-57.7-44172-60.5-57.6000110.8I76 E80 K86 T87 L88 A396I76-I84 HydrophobicContact CD1-CD1 3.88Å; I76-I84 HydrophobicContact CG2-CD1 4.13Å; E80-I84 WeakPolarHBondContact O-CG1 3.28Å; E80-I84 PolarHBondContact O-N 3.43Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.31Å; I84-T87 PolarHBondContact O-N 3.32Å; I84-T87 VanDerWaalsContact O-N 3.14Å; I84-T87 PolarHBondContact O-OG1 3.34Å; I84-L88 HydrophobicContact CG2-CD1 4.36Å; I84-L88 PolarHBondContact O-N 2.96Å; I84-L88 VanDerWaalsContact O-N 3.11Å; I84-A396 HydrophobicContact CD1-CB 4Å; I84-A396 HydrophobicContact CG2-CB 4.23Å
85G95.2Very high94.7Very high33 Ų3357.9 Ų57.934%0.3428%0.284SS..Hα-helixtrans-57.5-42.4175.800000113.3P81 L82 E83 T87 L88 E89P81-G85 PolarHBondContact O-N 3.4Å; L82-G85 PolarHBondContact O-N 2.89Å; E83-G85 VanDerWaalsContact C-N 3.29Å; E83-G85 PolarHBondContact O-N 3.42Å; G85-T87 VanDerWaalsContact C-N 3.33Å; G85-T87 PolarHBondContact O-N 3.39Å; G85-L88 PolarHBondContact O-N 2.97Å; G85-E89 PolarHBondContact O-N 3.45Å
86K94.4Very high94.4Very high43 Ų4359.9 Ų59.919%0.18730%0.295CS..Hα-helixtrans-59.2-43174.4-69.1173.6-179.8172.40111.7E70 V71 L82 E83 I84 L88 E89 I90E70-K86 PolarHBondContact O-NZ 3.13Å; V71-K86 HydrophobicContact CG2-CB 4.07Å; V71-K86 HydrophobicContact CG2-CD 4.42Å; L82-K86 WeakPolarHBondContact O-CG 3.31Å; L82-K86 PolarHBondContact O-N 3.08Å; E83-K86 WeakPolarHBondContact O-CB 3.38Å; E83-K86 PolarHBondContact O-N 3.5Å; E83-K86 VanDerWaalsContact O-N 3.17Å; E83-K86 WeakPolarHBondContact OE1-CE 3.39Å; E83-K86 IonicContact OE1-NZ 2.68Å; E83-K86 PolarHBondContact OE1-NZ 2.94Å; E83-K86 IonicContact OE2-NZ 3.27Å; E83-K86 PolarHBondContact OE2-NZ 3.22Å; I84-K86 VanDerWaalsContact C-N 3.35Å; I84-K86 PolarHBondContact O-N 3.31Å; K86-L88 PolarHBondContact O-N 3.07Å; K86-E89 WeakPolarHBondContact O-CB 3.4Å; K86-E89 PolarHBondContact O-N 3.14Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 3.22Å
87T94.5Very high94.3Very high1 Ų160.5 Ų60.51%0.00630%0.298CS..Hα-helixtrans-63.9-40.2178.173.50000112.3V71 I76 E83 I84 G85 E89 I90 R91 A395 I419V71-T87 HydrophobicContact CG1-CG2 4.25Å; V71-T87 HydrophobicContact CG2-CG2 4.49Å; I76-T87 HydrophobicContact CD1-CG2 3.46Å; I76-T87 VanDerWaalsContact CD1-CG2 3.46Å; I76-T87 HydrophobicContact CG1-CG2 4.47Å; E83-T87 WeakPolarHBondContact O-CG2 3.04Å; E83-T87 PolarHBondContact O-N 3.32Å; I84-T87 PolarHBondContact O-N 3.32Å; I84-T87 VanDerWaalsContact O-N 3.14Å; I84-T87 PolarHBondContact O-OG1 3.34Å; G85-T87 VanDerWaalsContact C-N 3.33Å; G85-T87 PolarHBondContact O-N 3.39Å; T87-E89 VanDerWaalsContact C-N 3.32Å; T87-E89 PolarHBondContact O-N 2.95Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-R91 WeakPolarHBondContact O-CG 3.29Å; T87-R91 PolarHBondContact O-N 2.96Å; T87-A395 HydrophobicContact CG2-CB 3.76Å; T87-I419 HydrophobicContact CG2-CB 4.08Å; T87-I419 HydrophobicContact CG2-CG1 4.29Å; T87-I419 HydrophobicContact CG2-CG2 3.67Å
88L93.8Very high94.1Very high79 Ų7958.9 Ų58.941%0.41429%0.292SS..Hα-helixtrans-64.9-36.6176.8-66.7173.2000112I84 G85 K86 R91 R92I84-L88 HydrophobicContact CG2-CD1 4.36Å; I84-L88 PolarHBondContact O-N 2.96Å; I84-L88 VanDerWaalsContact O-N 3.11Å; G85-L88 PolarHBondContact O-N 2.97Å; K86-L88 PolarHBondContact O-N 3.07Å; L88-R91 PolarHBondContact O-N 3.04Å; L88-R92 WeakPolarHBondContact O-CG 3.31Å; L88-R92 PolarHBondContact O-N 3.37Å
89E92.6Very high94Very high81 Ų8160.5 Ų60.538%0.37930%0.3SS..Hα-helixtrans-64.7-45.8174-16883.7167.600111.2Y69 G85 K86 T87 R91 R92Y69-E89 HydrophobicContact CE1-CG 3.92Å; G85-E89 PolarHBondContact O-N 3.45Å; K86-E89 WeakPolarHBondContact O-CB 3.4Å; K86-E89 PolarHBondContact O-N 3.14Å; T87-E89 VanDerWaalsContact C-N 3.32Å; T87-E89 PolarHBondContact O-N 2.95Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.93Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE2-NH1 3.71Å
90I91.9Very high94.1Very high0 Ų057.8 Ų57.80%029%0.288CS..Hα-helixtrans-58.8-43.4176.8-71166.7000110.7Y44 V71 K86 T87 R92 R93 I419Y44-I90 HydrophobicContact CD1-CG2 3.65Å; Y44-I90 HydrophobicContact CD2-CB 4.42Å; Y44-I90 HydrophobicContact CD2-CD1 4.26Å; Y44-I90 HydrophobicContact CD2-CG1 3.9Å; Y44-I90 HydrophobicContact CD2-CG2 3.79Å; Y44-I90 HydrophobicContact CE1-CG2 3.92Å; Y44-I90 HydrophobicContact CE2-CD1 3.7Å; Y44-I90 HydrophobicContact CE2-CG1 3.88Å; Y44-I90 HydrophobicContact CE2-CG2 4.06Å; Y44-I90 HydrophobicContact CG-CG2 3.58Å; V71-I90 HydrophobicContact CG2-CD1 3.94Å; K86-I90 WeakPolarHBondContact O-CG1 3.48Å; K86-I90 PolarHBondContact O-N 3.22Å; T87-I90 PolarHBondContact O-N 3.46Å; I90-R92 PolarHBondContact O-N 3.2Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.49Å; I90-I419 HydrophobicContact CD1-CD1 3.93Å; I90-I419 HydrophobicContact CD1-CG1 3.97Å
91R92.2Very high94Very high61 Ų6158 Ų5823%0.2329%0.292CS..Hα-helixtrans-67.6-15.9-179.3-69.7169.258.6-164.4-5.7114.9T87 L88 E89 R93 T383 G384 V416 D417T87-R91 WeakPolarHBondContact O-CG 3.29Å; T87-R91 PolarHBondContact O-N 2.96Å; L88-R91 PolarHBondContact O-N 3.04Å; E89-R91 VanDerWaalsContact C-N 3.31Å; E89-R91 PolarHBondContact O-N 2.93Å; R91-R93 VanDerWaalsContact C-N 3.3Å; R91-T383 PolarHBondContact NH1-O 3.43Å; R91-T383 PolarHBondContact NH2-O 3.2Å; R91-G384 PolarHBondContact NH2-O 3.12Å; R91-V416 WeakPolarHBondContact CG-O 3.48Å; R91-D417 WeakPolarHBondContact CD-OD2 3.48Å
92R91.4Very high94Very high176 Ų17652.6 Ų52.666%0.66426%0.257SS*.THydrogen-bonded Turntrans-79.7-17.3173.5-71170.7176.4177.9-1.6112.4K41 L88 E89 I90K41-R92 WeakPolarHBondContact CD-O 3.44Å; L88-R92 WeakPolarHBondContact O-CG 3.31Å; L88-R92 PolarHBondContact O-N 3.37Å; E89-R92 PolarHBondContact O-N 3.42Å; E89-R92 IonicContact OE2-NH1 3.71Å; I90-R92 PolarHBondContact O-N 3.2Å
93R90.7Very high94.1Very high42 Ų4246.9 Ų46.916%0.15823%0.227CC..SBendtrans-79170.8179.8-62.2-171178.7-174-0.2112D42 Y69 I90 R91D42-R93 HydrophobicContact CB-CG 4.03Å; D42-R93 CarbonylContact O-C 3.6Å; D42-R93 VanDerWaalsContact O-CA 3.25Å; D42-R93 WeakPolarHBondContact O-CA 3.39Å; D42-R93 WeakPolarHBondContact O-CB 3.45Å; Y69-R93 PolarHBondContact OH-NH2 2.68Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.49Å; R91-R93 VanDerWaalsContact C-N 3.3Å
94D90.6Very high94.2Very high82 Ų8247.9 Ų47.944%0.43923%0.233SC..EExtended strand (participates in β ladder)trans-81.8108.5164.9-168.125.2000108.6K41 D42 I43 Y44K41-D94 HydrophobicContact CB-CB 4.3Å; D42-D94 PolarHBondContact O-N 3.25Å; I43-D94 CarbonylContact C-O 3.57Å; I43-D94 WeakPolarHBondContact CA-O 3.33Å; I43-D94 HydrophobicContact CG1-CB 4.38Å; Y44-D94 PolarHBondContact N-O 2.94Å
95I92.3Very high94.2Very high18 Ų1848.4 Ų48.49%0.09224%0.242CC..EExtended strand (participates in β ladder)trans-87.1115.4-177.7-63.5161.4000108.4Y44 V46 S414 P418Y44-I95 HydrophobicContact CD1-CG2 4.49Å; Y44-I95 WeakPolarHBondContact O-CA 3.46Å; V46-I95 HydrophobicContact CG2-CG2 3.72Å; I95-S414 WeakPolarHBondContact CG2-O 3.36Å; I95-P418 HydrophobicContact CD1-CG 4.44Å; I95-P418 HydrophobicContact CG2-CG 4.16Å
96I92.2Very high94.2Very high42 Ų4247.9 Ų47.922%0.21523%0.231CC..EExtended strand (participates in β ladder)trans-108.3120175-58.7-179.2000107.7I43 Y44 L45 V46 F55 V56I43-I96 HydrophobicContact CD1-CD1 3.88Å; I43-I96 HydrophobicContact CG2-CB 4.47Å; I43-I96 HydrophobicContact CG2-CD1 3.71Å; I43-I96 HydrophobicContact CG2-CG1 3.98Å; Y44-I96 PolarHBondContact O-N 3.23Å; L45-I96 WeakPolarHBondContact CA-O 3.44Å; L45-I96 HydrophobicContact CD2-CB 3.91Å; L45-I96 HydrophobicContact CD2-CD1 4.37Å; L45-I96 HydrophobicContact CD2-CG2 4.25Å; V46-I96 PolarHBondContact N-O 3.27Å; F55-I96 HydrophobicContact CE1-CD1 3.76Å; V56-I96 HydrophobicContact CG2-CG2 4.3Å
97D94.3Very high94.3Very high15 Ų1546 Ų468%0.0822%0.223CC..  trans-112.6174.4176.7-163.14.2000110V46 R148 S414V46-D97 HydrophobicContact CB-CB 4.1Å; V46-D97 WeakPolarHBondContact CB-OD1 3.37Å; V46-D97 WeakPolarHBondContact CG1-OD1 3.39Å; V46-D97 HydrophobicContact CG2-CB 4.15Å; D97-R148 IonicContact OD1-CZ 2.81Å; D97-R148 IonicContact OD1-NH1 2.71Å; D97-R148 IonicContact OD1-NH2 3.58Å; D97-R148 PolarHBondContact OD1-NH2 2.84Å; D97-R148 IonicContact OD2-CZ 3.48Å; D97-R148 IonicContact OD2-NH1 3.34Å; D97-R148 PolarHBondContact OD2-NH1 3.46Å; D97-R148 IonicContact OD2-NH2 3.47Å; D97-R148 PolarHBondContact OD2-NH2 2.04Å; D97-S414 WeakPolarHBondContact OD2-CB 3.5Å; D97-S414 PolarHBondContact OD2-OG 2.83Å
98L94.9Very high94.3Very high10 Ų1050.3 Ų50.35%0.05225%0.253CS..  trans-62.9138.3177.3-57.7175.6000111.1E47 L50 D102 I144E47-L98 HydrophobicContact CB-CD1 4.12Å; L50-L98 HydrophobicContact CB-CD1 3.81Å; L50-L98 HydrophobicContact CB-CD2 4.13Å; L50-L98 HydrophobicContact CD1-CD1 4.25Å; L98-D102 WeakPolarHBondContact CA-OD2 3.33Å; L98-D102 HydrophobicContact CB-CB 3.93Å; L98-D102 HydrophobicContact CD2-CB 4.08Å; L98-I144 HydrophobicContact CB-CB 4.13Å; L98-I144 HydrophobicContact CB-CD1 4.26Å; L98-I144 HydrophobicContact CB-CG1 3.96Å; L98-I144 HydrophobicContact CB-CG2 4.49Å; L98-I144 HydrophobicContact CD1-CD1 3.61Å; L98-I144 HydrophobicContact CD1-CG1 4.06Å; L98-I144 HydrophobicContact CG-CD1 4.48Å; L98-I144 HydrophobicContact CG-CG1 4.45Å; L98-I144 WeakPolarHBondContact O-CG2 3.42Å
99E95.6Very high94.5Very high139 Ų13949.9 Ų49.965%0.6525%0.252SS*.  trans-91.8172.3175.5-62.1-160.3169.500111.7D101 D102 V103E99-D101 PolarHBondContact O-N 2.99Å; E99-D102 PolarHBondContact N-OD2 2.87Å; E99-D102 WeakPolarHBondContact O-CB 3.49Å; E99-D102 PolarHBondContact O-N 3.31Å; E99-V103 PolarHBondContact O-N 2.94Å
100D97.5Very high94.7Very high27 Ų2747.4 Ų47.414%0.14424%0.243CC..Hα-helixtrans-57.6-36.5-179.3-65.1-21.1000111.9D102 V103 V104 A143 F172D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.39Å; D100-V103 WeakPolarHBondContact O-CB 3.38Å; D100-V103 PolarHBondContact O-N 2.91Å; D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.11Å; D100-A143 HydrophobicContact CB-CB 4.25Å; D100-A143 WeakPolarHBondContact OD1-CB 3.07Å; D100-A143 PolarHBondContact OD1-N 2.62Å; D100-F172 WeakPolarHBondContact OD2-CB 3.32Å
101D96.8Very high94.9Very high90 Ų9053.2 Ų53.248%0.48127%0.274SS..Hα-helixtrans-68.1-28.6177.7-70.2-27.1000113E99 V103 V104 A105 S171E99-D101 PolarHBondContact O-N 2.99Å; D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V104 PolarHBondContact O-N 3.36Å; D101-A105 WeakPolarHBondContact O-CB 3.45Å; D101-A105 PolarHBondContact O-N 2.89Å; D101-S171 WeakPolarHBondContact OD1-CB 3.49Å
102D96.1Very high95.1Very high5 Ų555.4 Ų55.43%0.02729%0.289CS..Hα-helixtrans-66.9-40172.7-64.5-38.4000110.2S51 T52 L98 E99 D100 A105 M106S51-D102 PolarHBondContact OG-OD2 3.21Å; T52-D102 WeakPolarHBondContact CA-OD1 3.15Å; T52-D102 VanDerWaalsContact CB-OD1 3.29Å; T52-D102 WeakPolarHBondContact CB-OD1 3.41Å; T52-D102 PolarHBondContact N-OD1 3.28Å; T52-D102 PolarHBondContact OG1-OD1 2.92Å; L98-D102 WeakPolarHBondContact CA-OD2 3.33Å; L98-D102 HydrophobicContact CB-CB 3.93Å; L98-D102 HydrophobicContact CD2-CB 4.08Å; E99-D102 PolarHBondContact N-OD2 2.87Å; E99-D102 WeakPolarHBondContact O-CB 3.49Å; E99-D102 PolarHBondContact O-N 3.31Å; D100-D102 VanDerWaalsContact C-N 3.31Å; D100-D102 PolarHBondContact O-N 3.39Å; D102-A105 PolarHBondContact O-N 2.82Å; D102-M106 WeakPolarHBondContact O-CB 3.25Å; D102-M106 WeakPolarHBondContact O-CG 3.35Å; D102-M106 PolarHBondContact O-N 2.63Å
103V97.6Very high95.3Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-66.1-41.3174.4-175.90000110.9E99 D100 D101 A105 M106 T107 A143 I144 A175 L179E99-V103 PolarHBondContact O-N 2.94Å; D100-V103 WeakPolarHBondContact O-CB 3.38Å; D100-V103 PolarHBondContact O-N 2.91Å; D101-V103 VanDerWaalsContact C-N 3.33Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.98Å; V103-M106 WeakPolarHBondContact O-CG 3.35Å; V103-T107 HydrophobicContact CG1-CG2 4.27Å; V103-T107 WeakPolarHBondContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CG2 3.21Å; V103-T107 PolarHBondContact O-N 3.41Å; V103-T107 VanDerWaalsContact O-N 3.11Å; V103-T107 PolarHBondContact O-OG1 2.81Å; V103-A143 HydrophobicContact CB-CB 4.08Å; V103-A143 HydrophobicContact CG1-CB 4.29Å; V103-A143 HydrophobicContact CG2-CB 3.91Å; V103-I144 HydrophobicContact CG2-CB 4.01Å; V103-I144 HydrophobicContact CG2-CD1 4.25Å; V103-A175 HydrophobicContact CB-CB 4.02Å; V103-A175 HydrophobicContact CG1-CB 3.89Å; V103-L179 HydrophobicContact CG1-CD1 4.08Å; V103-L179 HydrophobicContact CG1-CG 4.22Å
104V97.9Very high95.6Very high33 Ų3348 Ų4820%0.226%0.264CS..Hα-helixtrans-56.4-47.8173.3172.50000110.8D100 D101 T107 S108 V174 A175 N178D100-V104 WeakPolarHBondContact O-CG2 3.36Å; D100-V104 PolarHBondContact O-N 3.11Å; D101-V104 PolarHBondContact O-N 3.36Å; V104-T107 PolarHBondContact O-OG1 3.22Å; V104-S108 PolarHBondContact O-N 2.92Å; V104-V174 HydrophobicContact CB-CG1 4.43Å; V104-V174 HydrophobicContact CG1-CG1 3.77Å; V104-V174 HydrophobicContact CG2-CB 3.94Å; V104-V174 HydrophobicContact CG2-CG1 3.76Å; V104-A175 HydrophobicContact CG2-CB 3.91Å; V104-N178 PolarHBondContact O-ND2 3.3Å
105A96.1Very high95.8Very high39 Ų3949 Ų4932%0.32227%0.273SS..Hα-helixtrans-67.9-46.2-177.400000112.4T52 D101 D102 V103 T107 S108T52-A105 HydrophobicContact CG2-CB 3.34Å; D101-A105 WeakPolarHBondContact O-CB 3.45Å; D101-A105 PolarHBondContact O-N 2.89Å; D102-A105 PolarHBondContact O-N 2.82Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 2.98Å; A105-T107 PolarHBondContact O-N 3.06Å; A105-S108 WeakPolarHBondContact O-CB 3.4Å; A105-S108 PolarHBondContact O-N 2.84Å; A105-S108 PolarHBondContact O-OG 2.72Å
106M95.1Very high95.9Very high23 Ų2352.9 Ų52.911%0.11329%0.294CS..Hα-helixtrans-67.7-24.8-178.376-174.5-62.300112.8L50 D102 V103 Y113L50-M106 HydrophobicContact CD1-CE 3.89Å; D102-M106 WeakPolarHBondContact O-CB 3.25Å; D102-M106 WeakPolarHBondContact O-CG 3.35Å; D102-M106 PolarHBondContact O-N 2.63Å; V103-M106 WeakPolarHBondContact O-CG 3.35Å; M106-Y113 HydrophobicContact CE-CD2 3.88Å; M106-Y113 HydrophobicContact CE-CE2 3.72Å; M106-Y113 HydrophobicContact CG-CD2 4.27Å; M106-Y113 HydrophobicContact CG-CE2 4.47Å; M106-Y113 WeakPolarHBondContact O-CB 3.45Å; M106-Y113 HydrophobicContact SD-CE2 4.48Å
107T96.8Very high96Very high3 Ų352.5 Ų52.52%0.01829%0.289CS..THydrogen-bonded Turntrans-97.26.5178.758.40000113.6V103 V104 A105 D109 Y113 N178 L179V103-T107 HydrophobicContact CG1-CG2 4.27Å; V103-T107 WeakPolarHBondContact O-CB 3.27Å; V103-T107 WeakPolarHBondContact O-CG2 3.21Å; V103-T107 PolarHBondContact O-N 3.41Å; V103-T107 VanDerWaalsContact O-N 3.11Å; V103-T107 PolarHBondContact O-OG1 2.81Å; V104-T107 PolarHBondContact O-OG1 3.22Å; A105-T107 PolarHBondContact O-N 3.06Å; T107-D109 VanDerWaalsContact C-N 3.3Å; T107-D109 PolarHBondContact O-N 2.76Å; T107-Y113 HydrophobicContact CG2-CD1 4.16Å; T107-Y113 HydrophobicContact CG2-CD2 4.04Å; T107-Y113 HydrophobicContact CG2-CE1 4.18Å; T107-Y113 HydrophobicContact CG2-CE2 4.07Å; T107-Y113 HydrophobicContact CG2-CG 4.11Å; T107-N178 WeakPolarHBondContact OG1-CB 3.19Å; T107-L179 HydrophobicContact CG2-CD2 3.59Å; T107-L179 HydrophobicContact CG2-CG 4.04Å
108S95.4Very high96Very high92 Ų9252.7 Ų52.764%0.64330%0.295SS*.SBendtrans-68-31.5178.163.30000112.9V104 A105V104-S108 PolarHBondContact O-N 2.92Å; A105-S108 WeakPolarHBondContact O-CB 3.4Å; A105-S108 PolarHBondContact O-N 2.84Å; A105-S108 PolarHBondContact O-OG 2.72Å
109D96.3Very high96Very high70 Ų7052.5 Ų52.537%0.37429%0.294SS..SBendtrans-117.1108.2171.2-173.5-43.7000108.9T107 D111 I112 Y113T107-D109 VanDerWaalsContact C-N 3.3Å; T107-D109 PolarHBondContact O-N 2.76Å; D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D109-I112 HydrophobicContact CB-CB 4.11Å; D109-I112 HydrophobicContact CB-CD1 3.99Å; D109-I112 HydrophobicContact CB-CG1 4.2Å; D109-I112 PolarHBondContact OD1-N 3.31Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.45Å; D109-Y113 VanDerWaalsContact O-CB 3.25Å; D109-Y113 WeakPolarHBondContact O-CB 3.09Å; D109-Y113 PolarHBondContact O-N 3.16Å
110C97.4Very high95.9Very high29 Ų2950 Ų5020%0.19630%0.297CS..Hα-helixtrans-69.9-32-174-65.40000113.1Q114 C182C110-Q114 VanDerWaalsContact O-CB 3.28Å; C110-Q114 WeakPolarHBondContact O-CB 3.37Å; C110-Q114 VanDerWaalsContact O-CG 3.23Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 2.84Å; C110-C182 WeakPolarHBondContact CA-SG 3.39Å; C110-C182 HydrophobicContact CB-CB 3.66Å; C110-C182 WeakPolarHBondContact CB-SG 3.43Å; C110-C182 WeakPolarHBondContact SG-CA 3.33Å; C110-C182 WeakPolarHBondContact SG-CB 3.25Å; C110-C182 CovalentContact SG-SG 2.06Å; C110-C182 PolarHBondContact SG-SG 3.16Å
111D96.8Very high95.6Very high122 Ų12254.8 Ų54.865%0.65232%0.318SS*.Hα-helixtrans-71.5-42.8-179.2-68.2-28.6000110D109 T115D109-D111 PolarHBondContact O-N 3.48Å; D109-D111 PolarHBondContact OD1-N 3.03Å; D111-T115 VanDerWaalsContact O-CB 3.26Å; D111-T115 WeakPolarHBondContact O-CB 3.24Å; D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 PolarHBondContact O-OG1 2.63Å
112I95.7Very high95.4Very high106 Ų10652.9 Ų52.954%0.54431%0.306SS..Hα-helixtrans-63.4-49173.3-64176.3000110.1D109 Q114 T115 L116D109-I112 HydrophobicContact CB-CB 4.11Å; D109-I112 HydrophobicContact CB-CD1 3.99Å; D109-I112 HydrophobicContact CB-CG1 4.2Å; D109-I112 PolarHBondContact OD1-N 3.31Å; D109-I112 WeakPolarHBondContact OD2-CD1 3.45Å; I112-Q114 PolarHBondContact O-N 3.37Å; I112-T115 PolarHBondContact O-N 2.92Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 PolarHBondContact O-N 3.1Å
113Y96.3Very high95.3Very high1 Ų156.4 Ų56.40%0.00432%0.324CS..Hα-helixtrans-55.2-51.8178.8173.4-120.4000111.9M106 T107 D109 T115 L116 R117 Y119 E147 L179 C182 F183M106-Y113 HydrophobicContact CE-CD2 3.88Å; M106-Y113 HydrophobicContact CE-CE2 3.72Å; M106-Y113 HydrophobicContact CG-CD2 4.27Å; M106-Y113 HydrophobicContact CG-CE2 4.47Å; M106-Y113 WeakPolarHBondContact O-CB 3.45Å; M106-Y113 HydrophobicContact SD-CE2 4.48Å; T107-Y113 HydrophobicContact CG2-CD1 4.16Å; T107-Y113 HydrophobicContact CG2-CD2 4.04Å; T107-Y113 HydrophobicContact CG2-CE1 4.18Å; T107-Y113 HydrophobicContact CG2-CE2 4.07Å; T107-Y113 HydrophobicContact CG2-CG 4.11Å; D109-Y113 VanDerWaalsContact O-CB 3.25Å; D109-Y113 WeakPolarHBondContact O-CB 3.09Å; D109-Y113 PolarHBondContact O-N 3.16Å; Y113-T115 VanDerWaalsContact C-N 3.33Å; Y113-T115 PolarHBondContact O-N 3.12Å; Y113-L116 PolarHBondContact O-N 3.4Å; Y113-R117 HydrophobicContact CD2-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 3.44Å; Y113-R117 VanDerWaalsContact CE2-CG 3.44Å; Y113-R117 WeakPolarHBondContact O-CB 3.5Å; Y113-R117 PolarHBondContact O-N 2.87Å; Y113-Y119 AromaticContact CE1-CE2 3.92Å; Y113-Y119 HydrophobicContact CE1-CE2 3.92Å; Y113-Y119 AromaticContact CZ-CE2 3.89Å; Y113-Y119 PolarHBondContact OH-OH 3.27Å; Y113-Y119 VanDerWaalsContact OH-OH 3.06Å; Y113-E147 HydrophobicContact CE2-CG 4.33Å; Y113-E147 WeakPolarHBondContact CE2-OE1 3.14Å; Y113-E147 WeakPolarHBondContact OH-CG 3.35Å; Y113-E147 PolarHBondContact OH-OE1 3.19Å; Y113-L179 HydrophobicContact CE1-CD2 4.06Å; Y113-C182 HydrophobicContact CD1-CB 4.18Å; Y113-F183 HydrophobicContact CD1-CZ 4.43Å; Y113-F183 AromaticContact CE1-CE2 3.88Å; Y113-F183 HydrophobicContact CE1-CE2 3.88Å; Y113-F183 AromaticContact CE1-CZ 3.7Å; Y113-F183 HydrophobicContact CE1-CZ 3.7Å
114Q96.7Very high95.1Very high62 Ų6258.3 Ų58.329%0.2934%0.336SS..Hα-helixtrans-64.5-39.5-177.6-76.4-176.615.300112.3C110 I112 G118 Y119 C182 F183C110-Q114 VanDerWaalsContact O-CB 3.28Å; C110-Q114 WeakPolarHBondContact O-CB 3.37Å; C110-Q114 VanDerWaalsContact O-CG 3.23Å; C110-Q114 WeakPolarHBondContact O-CG 3.42Å; C110-Q114 PolarHBondContact O-N 2.84Å; I112-Q114 PolarHBondContact O-N 3.37Å; Q114-G118 PolarHBondContact O-N 3.23Å; Q114-Y119 HydrophobicContact CB-CD2 4.39Å; Q114-Y119 HydrophobicContact CG-CD2 4.37Å; Q114-Y119 PolarHBondContact O-N 3.44Å; Q114-C182 PolarHBondContact NE2-O 3.04Å; Q114-F183 HydrophobicContact CG-CE1 4.08Å; Q114-F183 HydrophobicContact CG-CZ 4.46Å
115T95.4Very high95Very high104 Ų10457.3 Ų57.364%0.63833%0.33SS*.Hα-helixtrans-65.4-48.2177.7-60.40000110.7D111 I112 Y113 R117 G118D111-T115 VanDerWaalsContact O-CB 3.26Å; D111-T115 WeakPolarHBondContact O-CB 3.24Å; D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 PolarHBondContact O-OG1 2.63Å; I112-T115 PolarHBondContact O-N 2.92Å; Y113-T115 VanDerWaalsContact C-N 3.33Å; Y113-T115 PolarHBondContact O-N 3.12Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.24Å; T115-G118 PolarHBondContact O-N 3.47Å; T115-G118 VanDerWaalsContact O-N 3.09Å
116L92.9Very high94.9Very high99 Ų9963 Ų6352%0.51835%0.348SS..Hα-helixtrans-61.1-40.9179.2176.369.6000112.1L50 I112 Y113 G118L50-L116 HydrophobicContact CD2-CD1 4.47Å; L50-L116 HydrophobicContact CD2-CD2 3.59Å; L50-L116 HydrophobicContact CD2-CG 4.44Å; I112-L116 WeakPolarHBondContact O-CB 3.21Å; I112-L116 PolarHBondContact O-N 3.1Å; Y113-L116 PolarHBondContact O-N 3.4Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.05Å
117R94.4Very high94.9Very high33 Ų3364.5 Ų64.513%0.12535%0.354CS..THydrogen-bonded Turntrans-82.6-0.6176.5-72.7-56.6-162.2-155.97.9114.1E47 L50 Y113 T115 Y119 E147 H151E47-R117 IonicContact OE1-CZ 2.64Å; E47-R117 IonicContact OE1-NH1 3.68Å; E47-R117 PolarHBondContact OE1-NH1 3.11Å; E47-R117 IonicContact OE1-NH2 2.73Å; E47-R117 PolarHBondContact OE1-NH2 3.28Å; E47-R117 IonicContact OE2-NH2 2.9Å; L50-R117 VanDerWaalsContact CD1-NH1 3.34Å; Y113-R117 HydrophobicContact CD2-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CB 4.46Å; Y113-R117 HydrophobicContact CE2-CG 3.44Å; Y113-R117 VanDerWaalsContact CE2-CG 3.44Å; Y113-R117 WeakPolarHBondContact O-CB 3.5Å; Y113-R117 PolarHBondContact O-N 2.87Å; T115-R117 VanDerWaalsContact C-N 3.33Å; T115-R117 PolarHBondContact O-N 3.24Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-Y119 HydrophobicContact CB-CD2 3.52Å; R117-Y119 HydrophobicContact CB-CE2 3.38Å; R117-Y119 HydrophobicContact CG-CE2 4.06Å; R117-Y119 PolarHBondContact O-N 3.48Å; R117-E147 IonicContact CZ-OE1 2.83Å; R117-E147 IonicContact CZ-OE2 3.56Å; R117-E147 IonicContact NE-OE1 2.81Å; R117-E147 PolarHBondContact NE-OE1 2.88Å; R117-E147 IonicContact NE-OE2 3.41Å; R117-E147 PolarHBondContact NE-OE2 2.71Å; R117-E147 IonicContact NH2-OE1 2.74Å; R117-E147 IonicContact NH2-OE2 3.83Å; R117-E147 PolarHBondContact NH2-OE2 2.93Å; R117-H151 PolarHBondContact O-CD2 2.87Å; R117-H151 PolarHBondContact O-NE2 3.5Å
118G95.1Very high94.9Very high20 Ų2064.4 Ų64.421%0.20635%0.354CS..THydrogen-bonded Turntrans64.432.517400000114.7Q114 T115 L116 A120 Q121Q114-G118 PolarHBondContact O-N 3.23Å; T115-G118 PolarHBondContact O-N 3.47Å; T115-G118 VanDerWaalsContact O-N 3.09Å; L116-G118 VanDerWaalsContact C-N 3.27Å; L116-G118 PolarHBondContact O-N 3.05Å; G118-A120 PolarHBondContact O-N 3.02Å; G118-Q121 PolarHBondContact O-N 3.4Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; G118-Q121 PolarHBondContact O-OE1 3.37Å
119Y95.3Very high95Very high6 Ų666.4 Ų66.42%0.02435%0.351CS..G310 helixtrans-64.1-27.5-177.3-82.2-84.7000113.2Y113 Q114 R117 Q121 K122 H151 Y154 F183Y113-Y119 AromaticContact CE1-CE2 3.92Å; Y113-Y119 HydrophobicContact CE1-CE2 3.92Å; Y113-Y119 AromaticContact CZ-CE2 3.89Å; Y113-Y119 PolarHBondContact OH-OH 3.27Å; Y113-Y119 VanDerWaalsContact OH-OH 3.06Å; Q114-Y119 HydrophobicContact CB-CD2 4.39Å; Q114-Y119 HydrophobicContact CG-CD2 4.37Å; Q114-Y119 PolarHBondContact O-N 3.44Å; R117-Y119 VanDerWaalsContact C-N 3.33Å; R117-Y119 HydrophobicContact CB-CD2 3.52Å; R117-Y119 HydrophobicContact CB-CE2 3.38Å; R117-Y119 HydrophobicContact CG-CE2 4.06Å; R117-Y119 PolarHBondContact O-N 3.48Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Y119-K122 HydrophobicContact CD1-CD 4.25Å; Y119-H151 AromaticContact CE2-CD2 3.97Å; Y119-H151 AromaticContact CZ-CD2 3.77Å; Y119-Y154 AromaticContact CD1-CD1 3.34Å; Y119-Y154 HydrophobicContact CD1-CD1 3.34Å; Y119-Y154 AromaticContact CD1-CE1 3.7Å; Y119-Y154 HydrophobicContact CD1-CE1 3.7Å; Y119-Y154 AromaticContact CD1-CG 3.81Å; Y119-Y154 HydrophobicContact CD1-CG 3.81Å; Y119-Y154 AromaticContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD2 4.24Å; Y119-Y154 HydrophobicContact CE1-CE1 4.28Å; Y119-Y154 AromaticContact CE1-CG 3.58Å; Y119-Y154 HydrophobicContact CE1-CG 3.58Å; Y119-F183 AromaticContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CZ 4.13Å; Y119-F183 HydrophobicContact CD2-CE1 4.14Å; Y119-F183 HydrophobicContact CD2-CZ 4.1Å; Y119-F183 AromaticContact CE1-CE1 3.72Å; Y119-F183 HydrophobicContact CE1-CE1 3.72Å; Y119-F183 AromaticContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE2-CE1 4.09Å; Y119-F183 AromaticContact CE2-CZ 3.61Å; Y119-F183 HydrophobicContact CE2-CZ 3.61Å; Y119-F183 AromaticContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CZ 4.32Å; Y119-F183 AromaticContact CZ-CE1 3.89Å; Y119-F183 AromaticContact CZ-CZ 3.37Å
120A91.9Very high95Very high87 Ų8766.9 Ų66.972%0.71936%0.36SS*.G310 helixtrans-73.9-23.5177.700000113G118 K122G118-A120 PolarHBondContact O-N 3.02Å; A120-K122 VanDerWaalsContact C-N 3.32Å
121Q91.3Very high95.1Very high127 Ų12766.7 Ų66.759%0.59336%0.356SS*.G310 helixtrans-84.9-6.5-178.8-65.580.3-4.400112.6G118 Y119 L123G118-Q121 PolarHBondContact O-N 3.4Å; G118-Q121 VanDerWaalsContact O-N 3.15Å; G118-Q121 PolarHBondContact O-OE1 3.37Å; Y119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-L123 PolarHBondContact O-N 3.01Å; Q121-L123 VanDerWaalsContact O-N 3.16Å
122K93.4Very high95.2Very high50 Ų5061.6 Ų61.622%0.21733%0.329CS..  trans-62.4117.9178.2-77.9-179.1158.1-102.30111Y119 A120 H151 Y154Y119-K122 HydrophobicContact CD1-CD 4.25Å; A120-K122 VanDerWaalsContact C-N 3.32Å; K122-H151 WeakPolarHBondContact CE-O 3.41Å; K122-H151 PolarHBondContact NZ-O 2.89Å; K122-Y154 HydrophobicContact CD-CD1 4.01Å; K122-Y154 WeakPolarHBondContact CD-O 3.43Å; K122-Y154 PolarHBondContact NZ-O 3.42Å
123L93.8Very high95.3Very high79 Ų7956.6 Ų56.641%0.41430%0.303SS..  trans-78.4136.9-179.8-60-172.9000111.4Q121 Q432 R433 I436Q121-L123 PolarHBondContact O-N 3.01Å; Q121-L123 VanDerWaalsContact O-N 3.16Å; L123-Q432 PolarHBondContact O-NE2 2.68Å; L123-R433 HydrophobicContact CD1-CB 4.31Å; L123-R433 HydrophobicContact CD1-CG 3.63Å; L123-I436 VanDerWaalsContact C-CD1 3.47Å; L123-I436 HydrophobicContact CB-CD1 3.45Å; L123-I436 VanDerWaalsContact CB-CD1 3.45Å
124V94.1Very high95.5Very high39 Ų3956.5 Ų56.524%0.23630%0.303CS..  trans-139.4126-179-175.50000110.4E128 K129 N155 H157V124-E128 HydrophobicContact CG1-CB 3.83Å; V124-K129 HydrophobicContact CG1-CG 3.7Å; V124-N155 VanDerWaalsContact CG2-OD1 3.25Å; V124-N155 WeakPolarHBondContact CG2-OD1 3.48Å; V124-H157 WeakPolarHBondContact CG1-CE1 3.4Å
125S95.2Very high95.6Very high12 Ų1253.7 Ų53.78%0.08429%0.29CS..  trans-76165.6173.170.30000113E127 E128 K129S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.48Å; S125-E127 PolarHBondContact OG-N 2.64Å; S125-E128 WeakPolarHBondContact CA-OE2 3.48Å; S125-E128 WeakPolarHBondContact CB-OE2 3.41Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 PolarHBondContact O-N 2.9Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.31Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 2.95Å; S125-K129 WeakPolarHBondContact O-CG 3.45Å; S125-K129 PolarHBondContact O-N 2.85Å
126K94Very high95.7Very high160 Ų16048.7 Ų48.770%0.69626%0.259SS*.Hα-helixtrans-63.2-34.8172.3-68.8-179.3-179.7175.90112.3K129 S130K126-K129 PolarHBondContact O-N 3.44Å; K126-S130 PolarHBondContact O-N 3.49Å
127E94.6Very high96Very high54 Ų5444 Ų4425%0.25224%0.235SC..Hα-helixtrans-62.7-48179.1-179.5168.5-166.600110.8S125 K129 S130 F131 V240 K244S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 3.48Å; S125-E127 PolarHBondContact OG-N 2.64Å; E127-K129 PolarHBondContact O-N 3.01Å; E127-S130 PolarHBondContact O-N 3.23Å; E127-S130 VanDerWaalsContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 2.93Å; E127-F131 PolarHBondContact O-N 3.33Å; E127-V240 HydrophobicContact CG-CG1 4.08Å; E127-K244 HydrophobicContact CG-CD 4.28Å; E127-K244 VanDerWaalsContact OE1-CD 3.26Å; E127-K244 WeakPolarHBondContact OE1-CD 3.41Å; E127-K244 WeakPolarHBondContact OE1-CE 3.38Å; E127-K244 IonicContact OE1-NZ 2.63Å; E127-K244 PolarHBondContact OE1-NZ 3.14Å
128E97.4Very high96.2Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-60.3-46.7176.7-68.3163.897.800111.7V124 S125 S130 F131 H157 N236 F237 V240 Q432V124-E128 HydrophobicContact CG1-CB 3.83Å; S125-E128 WeakPolarHBondContact CA-OE2 3.48Å; S125-E128 WeakPolarHBondContact CB-OE2 3.41Å; S125-E128 PolarHBondContact N-OE2 2.75Å; S125-E128 PolarHBondContact O-N 2.9Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.31Å; S125-E128 PolarHBondContact OG-N 2.85Å; S125-E128 PolarHBondContact OG-OE2 2.95Å; E128-S130 PolarHBondContact O-N 3Å; E128-S130 VanDerWaalsContact O-N 3.1Å; E128-F131 CarbonylContact O-C 3.55Å; E128-F131 PolarHBondContact O-N 3.39Å; E128-H157 PolarHBondContact O-CD2 3.46Å; E128-H157 PolarHBondContact O-NE2 3.3Å; E128-H157 VanDerWaalsContact O-NE2 3.14Å; E128-N236 WeakPolarHBondContact CG-ND2 3.34Å; E128-N236 WeakPolarHBondContact OE1-CB 3.48Å; E128-N236 PolarHBondContact OE1-ND2 3.4Å; E128-F237 PolarHBondContact OE1-N 2.73Å; E128-F237 VanDerWaalsContact OE1-N 3.14Å; E128-V240 HydrophobicContact CB-CG2 4.46Å; E128-V240 HydrophobicContact CG-CB 4.3Å; E128-V240 HydrophobicContact CG-CG2 4.01Å; E128-Q432 PolarHBondContact OE1-NE2 2.68Å; E128-Q432 PolarHBondContact OE2-NE2 3.41Å
129K96.8Very high96.4Very high135 Ų13542.2 Ų42.259%0.58722%0.223SC*.Hα-helixtrans-56-32.1176.1-70.2-179.7-176.8-177.40113.3V124 S125 K126 E127 F131V124-K129 HydrophobicContact CG1-CG 3.7Å; S125-K129 WeakPolarHBondContact O-CG 3.45Å; S125-K129 PolarHBondContact O-N 2.85Å; K126-K129 PolarHBondContact O-N 3.44Å; E127-K129 PolarHBondContact O-N 3.01Å; K129-F131 VanDerWaalsContact C-N 3.34Å
130S97.4Very high96.5Very high80 Ų8046.6 Ų46.656%0.55924%0.244SC*.Hα-helixtrans-84.3-7.4178.5740000114.1K126 E127 E128K126-S130 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-N 3.23Å; E127-S130 VanDerWaalsContact O-N 3.12Å; E127-S130 PolarHBondContact O-OG 2.93Å; E128-S130 PolarHBondContact O-N 3Å; E128-S130 VanDerWaalsContact O-N 3.1Å
131F98.5Very high96.7Very high25 Ų2546.3 Ų46.311%0.1123%0.226CC..SBendtrans-130.267.4-177-158.1-87.1000112E127 E128 K129 K221 Y222 V240 L243 K244E127-F131 PolarHBondContact O-N 3.33Å; E128-F131 CarbonylContact O-C 3.55Å; E128-F131 PolarHBondContact O-N 3.39Å; K129-F131 VanDerWaalsContact C-N 3.34Å; F131-K221 HydrophobicContact CD1-CB 4.26Å; F131-K221 HydrophobicContact CD1-CG 4.25Å; F131-K221 HydrophobicContact CD2-CB 4.31Å; F131-K221 HydrophobicContact CD2-CG 3.78Å; F131-K221 HydrophobicContact CE1-CB 3.86Å; F131-K221 HydrophobicContact CE1-CG 4.3Å; F131-K221 HydrophobicContact CE2-CB 3.93Å; F131-K221 HydrophobicContact CE2-CG 3.83Å; F131-K221 HydrophobicContact CG-CB 4.47Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.71Å; F131-K221 HydrophobicContact CZ-CG 4.12Å; F131-Y222 AromaticContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CE2 4.41Å; F131-Y222 AromaticContact CZ-CD2 3.66Å; F131-Y222 HydrophobicContact CZ-CD2 3.66Å; F131-Y222 AromaticContact CZ-CE2 3.74Å; F131-Y222 HydrophobicContact CZ-CE2 3.74Å; F131-V240 HydrophobicContact CB-CG1 3.72Å; F131-V240 HydrophobicContact CB-CG2 4.49Å; F131-V240 HydrophobicContact CD1-CB 4.43Å; F131-V240 HydrophobicContact CD1-CG1 3.94Å; F131-V240 HydrophobicContact CD1-CG2 4.16Å; F131-V240 HydrophobicContact CG-CG1 3.93Å; F131-L243 HydrophobicContact CE1-CB 3.6Å; F131-L243 HydrophobicContact CE1-CD1 4.21Å; F131-L243 HydrophobicContact CZ-CB 3.98Å; F131-K244 HydrophobicContact CD2-CD 4.15Å; F131-K244 HydrophobicContact CD2-CG 3.58Å; F131-K244 HydrophobicContact CE1-CG 4.45Å; F131-K244 HydrophobicContact CE2-CB 4.44Å; F131-K244 HydrophobicContact CE2-CD 4.43Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.18Å; F131-K244 HydrophobicContact CZ-CG 3.86Å
132P98.6Very high97Very high15 Ų1541.8 Ų41.810%0.09721%0.206CC..  trans-62.5141.1178.7-23.335.4000113.4H157 V218 W220 K221P132-H157 VanDerWaalsContact CB-O 3.3Å; P132-H157 WeakPolarHBondContact CB-O 3.3Å; P132-V218 HydrophobicContact CB-CG1 3.83Å; P132-V218 HydrophobicContact CG-CG1 4.37Å; P132-W220 HydrophobicContact CB-CB 4.29Å; P132-W220 CarbonylContact O-C 3.59Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.17Å; P132-K221 PolarHBondContact O-N 3.01Å
133I98.9Very high97.3Very high0 Ų039.4 Ų39.40%020%0.196CC..EExtended strand (participates in β ladder)trans-109.4139.9176.2-55.4171.7000108.8Y135 N158 I159 I224 L239 V240 L243I133-Y135 HydrophobicContact CB-CE2 3.93Å; I133-Y135 HydrophobicContact CG2-CD2 4.14Å; I133-Y135 HydrophobicContact CG2-CE1 4.28Å; I133-Y135 HydrophobicContact CG2-CE2 3.56Å; I133-N158 PolarHBondContact N-OD1 2.81Å; I133-N158 VanDerWaalsContact O-CA 3.29Å; I133-N158 WeakPolarHBondContact O-CA 3.41Å; I133-N158 WeakPolarHBondContact O-CB 3.46Å; I133-I159 PolarHBondContact O-N 3.34Å; I133-I224 HydrophobicContact CG2-CD1 3.99Å; I133-I224 HydrophobicContact CG2-CG1 3.99Å; I133-L239 HydrophobicContact CD1-CD2 3.92Å; I133-L239 HydrophobicContact CD1-CG 4.08Å; I133-V240 HydrophobicContact CD1-CG2 3.92Å; I133-L243 HydrophobicContact CD1-CD1 3.64Å; I133-L243 HydrophobicContact CG1-CD1 3.93Å
134A98.9Very high97.5Very high0 Ų035.9 Ų35.90%018%0.177CC..EExtended strand (participates in β ladder)trans-99.7147.6168.500000111I159 L213 W220 Y222 V223 I224A134-I159 CarbonylContact C-O 3.54Å; A134-I159 VanDerWaalsContact CA-O 3.25Å; A134-I159 WeakPolarHBondContact CA-O 3.32Å; A134-I159 HydrophobicContact CB-CG2 3.62Å; A134-L213 HydrophobicContact CB-CD1 4.06Å; A134-L213 HydrophobicContact CB-CD2 3.95Å; A134-L213 HydrophobicContact CB-CG 4.48Å; A134-W220 HydrophobicContact CB-CB 4.02Å; A134-W220 HydrophobicContact CB-CD2 3.63Å; A134-W220 HydrophobicContact CB-CE3 3.94Å; A134-W220 HydrophobicContact CB-CG 3.66Å; A134-Y222 PolarHBondContact N-O 3.43Å; A134-V223 HydrophobicContact CB-CB 4.04Å; A134-V223 HydrophobicContact CB-CG2 4.04Å; A134-V223 CarbonylContact O-C 3.56Å; A134-V223 VanDerWaalsContact O-CA 3.23Å; A134-V223 WeakPolarHBondContact O-CA 3.41Å; A134-I224 PolarHBondContact O-N 2.83Å
135Y98.9Very high97.7Very high2 Ų234.2 Ų34.21%0.00817%0.167CC..EExtended strand (participates in β ladder)trans-126.3135.8176-67.4-88.1000111.4I133 I153 I159 Y160 C161 I224 L226 L239 F408I133-Y135 HydrophobicContact CB-CE2 3.93Å; I133-Y135 HydrophobicContact CG2-CD2 4.14Å; I133-Y135 HydrophobicContact CG2-CE1 4.28Å; I133-Y135 HydrophobicContact CG2-CE2 3.56Å; Y135-I153 HydrophobicContact CD1-CD1 3.87Å; Y135-I153 HydrophobicContact CD2-CD1 4.44Å; Y135-I153 HydrophobicContact CE1-CB 4.47Å; Y135-I153 HydrophobicContact CE1-CD1 4.11Å; Y135-I153 HydrophobicContact CG-CD1 4.03Å; Y135-I159 PolarHBondContact N-O 2.95Å; Y135-Y160 AromaticContact CD2-CD1 3.54Å; Y135-Y160 HydrophobicContact CD2-CD1 3.54Å; Y135-Y160 AromaticContact CD2-CE1 3.17Å; Y135-Y160 HydrophobicContact CD2-CE1 3.17Å; Y135-Y160 AromaticContact CD2-CZ 3.92Å; Y135-Y160 HydrophobicContact CE2-CD1 4.43Å; Y135-Y160 AromaticContact CE2-CE1 3.64Å; Y135-Y160 HydrophobicContact CE2-CE1 3.64Å; Y135-Y160 AromaticContact CG-CD1 3.87Å; Y135-Y160 HydrophobicContact CG-CD1 3.87Å; Y135-Y160 AromaticContact CG-CE1 3.87Å; Y135-Y160 HydrophobicContact CG-CE1 3.87Å; Y135-C161 PolarHBondContact O-N 3.1Å; Y135-I224 WeakPolarHBondContact CA-O 3.3Å; Y135-I224 HydrophobicContact CD1-CB 3.95Å; Y135-I224 HydrophobicContact CE1-CB 3.99Å; Y135-I224 HydrophobicContact CE1-CD1 3.98Å; Y135-I224 HydrophobicContact CE1-CG1 4.28Å; Y135-L226 HydrophobicContact CD1-CD1 3.63Å; Y135-L226 HydrophobicContact CD1-CG 4.29Å; Y135-L226 HydrophobicContact CE1-CD1 4.09Å; Y135-L239 WeakPolarHBondContact OH-CD2 3.5Å; Y135-F408 AromaticContact CE1-CZ 3.94Å; Y135-F408 HydrophobicContact CE1-CZ 3.94Å
136S98.9Very high97.9Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-109.8109.2169.9177.30000108.7D206 C209 I224 N225 L226S136-D206 PolarHBondContact OG-OD1 3.48Å; S136-C209 VanDerWaalsContact OG-CB 3.25Å; S136-C209 WeakPolarHBondContact OG-CB 3.49Å; S136-I224 PolarHBondContact N-O 2.88Å; S136-N225 CarbonylContact O-C 3.34Å; S136-N225 VanDerWaalsContact O-CA 3.26Å; S136-N225 WeakPolarHBondContact O-CA 3.21Å; S136-L226 PolarHBondContact O-N 3.41Å
137L98.9Very high98.1Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-104.2105.4-177.1-68.2149.5000109.5V139 L149 I150 I153 C161 I162 H163 L226L137-V139 HydrophobicContact CB-CG1 4.31Å; L137-L149 HydrophobicContact CD2-CD2 3.67Å; L137-L149 HydrophobicContact CD2-CG 4.31Å; L137-I150 HydrophobicContact CD1-CD1 4.38Å; L137-I150 HydrophobicContact CD1-CG1 4.09Å; L137-I153 HydrophobicContact CD2-CD1 4.47Å; L137-C161 PolarHBondContact N-O 3.19Å; L137-I162 HydrophobicContact CB-CG1 4.41Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; L137-H163 PolarHBondContact O-N 3.13Å; L137-L226 WeakPolarHBondContact CA-O 3.49Å; L137-L226 HydrophobicContact CD2-CB 3.84Å; L137-L226 HydrophobicContact CD2-CD1 3.99Å
138V98.8Very high98.3Very high13 Ų1324.7 Ų24.78%0.07912%0.123CC..EExtended strand (participates in β ladder)trans-97.4107.4175.6-176.80000109.7H163 A205 D206 L226 C227V138-H163 WeakPolarHBondContact CA-O 3.48Å; V138-H163 HydrophobicContact CG2-CB 4.39Å; V138-A205 HydrophobicContact CG1-CB 3.92Å; V138-A205 HydrophobicContact CG2-CB 4.08Å; V138-D206 WeakPolarHBondContact CG2-OD1 3.34Å; V138-L226 PolarHBondContact N-O 2.98Å; V138-C227 WeakPolarHBondContact O-CA 3.37Å
139V98.8Very high98.3Very high2 Ų224.7 Ų24.71%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-132.3157.7-165.7-590000112.5L137 V146 I162 H163 Y164 D165 F172 M176L137-V139 HydrophobicContact CB-CG1 4.31Å; V139-V146 HydrophobicContact CB-CG2 3.97Å; V139-V146 HydrophobicContact CG1-CG1 4.15Å; V139-V146 HydrophobicContact CG1-CG2 3.78Å; V139-V146 HydrophobicContact CG2-CG2 4.47Å; V139-I162 HydrophobicContact CG2-CG2 3.85Å; V139-H163 PolarHBondContact N-O 3.17Å; V139-Y164 CarbonylContact O-C 3.59Å; V139-Y164 VanDerWaalsContact O-CA 3.25Å; V139-Y164 WeakPolarHBondContact O-CA 3.5Å; V139-D165 PolarHBondContact O-N 2.84Å; V139-F172 HydrophobicContact CB-CZ 3.98Å; V139-F172 HydrophobicContact CG2-CE1 4.01Å; V139-F172 HydrophobicContact CG2-CZ 3.77Å; V139-M176 HydrophobicContact CG2-CG 4.47Å; V139-M176 HydrophobicContact CG2-SD 4.01Å
140H97.8Very high98.4Very high98 Ų9818.3 Ų18.345%0.45410%0.095SC..  trans-153.1-7.1-178.169.5-81.4000116.5D165 A168H140-D165 HydrophobicContact CB-CB 3.67Å; H140-A168 WeakPolarHBondContact O-CB 3.23Å
141K96.8Very high98.5Very high81 Ų8116 Ų1635%0.3528%0.075SC..SBendtrans-165.5171.3-178.465.4-177.6-172.193.90111F172K141-F172 VanDerWaalsContact CA-CE2 3.49Å; K141-F172 VanDerWaalsContact O-CE2 3.26Å; K141-F172 WeakPolarHBondContact O-CE2 2.95Å
142D97.4Very high98.5Very high33 Ų3316.3 Ų16.318%0.1768%0.082CC..  trans5666.3175.9-57.7-59.2000111.2I144 M145 V146 K415D142-I144 PolarHBondContact O-N 3.43Å; D142-I144 VanDerWaalsContact O-N 3.12Å; D142-M145 HydrophobicContact CB-CB 4.34Å; D142-M145 HydrophobicContact CB-CG 4.36Å; D142-M145 WeakPolarHBondContact O-CB 3.47Å; D142-M145 PolarHBondContact O-N 2.94Å; D142-V146 PolarHBondContact O-N 3.38Å; D142-K415 IonicContact OD1-NZ 2.68Å; D142-K415 PolarHBondContact OD1-NZ 3.31Å
143A98.5Very high98.4Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-55.7-33-173.700000113.1D100 V103 M145 V146 E147 F172 A175 M176D100-A143 HydrophobicContact CB-CB 4.25Å; D100-A143 WeakPolarHBondContact OD1-CB 3.07Å; D100-A143 PolarHBondContact OD1-N 2.62Å; V103-A143 HydrophobicContact CB-CB 4.08Å; V103-A143 HydrophobicContact CG1-CB 4.29Å; V103-A143 HydrophobicContact CG2-CB 3.91Å; A143-M145 VanDerWaalsContact C-N 3.31Å; A143-M145 PolarHBondContact O-N 2.95Å; A143-V146 PolarHBondContact O-N 3.3Å; A143-E147 WeakPolarHBondContact O-CB 3.28Å; A143-E147 PolarHBondContact O-N 2.87Å; A143-F172 HydrophobicContact CB-CD2 3.85Å; A143-F172 HydrophobicContact CB-CE2 4.02Å; A143-A175 HydrophobicContact CB-CB 3.73Å; A143-M176 HydrophobicContact CB-CE 3.61Å
144I97.9Very high98.4Very high4 Ų416.7 Ų16.72%0.0218%0.083CC..Hα-helixtrans-64.8-33.9177.8-172.359.6000112.6L98 V103 D142 V146 E147 R148L98-I144 HydrophobicContact CB-CB 4.13Å; L98-I144 HydrophobicContact CB-CD1 4.26Å; L98-I144 HydrophobicContact CB-CG1 3.96Å; L98-I144 HydrophobicContact CB-CG2 4.49Å; L98-I144 HydrophobicContact CD1-CD1 3.61Å; L98-I144 HydrophobicContact CD1-CG1 4.06Å; L98-I144 HydrophobicContact CG-CD1 4.48Å; L98-I144 HydrophobicContact CG-CG1 4.45Å; L98-I144 WeakPolarHBondContact O-CG2 3.42Å; V103-I144 HydrophobicContact CG2-CB 4.01Å; V103-I144 HydrophobicContact CG2-CD1 4.25Å; D142-I144 PolarHBondContact O-N 3.43Å; D142-I144 VanDerWaalsContact O-N 3.12Å; I144-V146 VanDerWaalsContact C-N 3.35Å; I144-E147 HydrophobicContact CD1-CB 4.37Å; I144-E147 PolarHBondContact O-N 3.18Å; I144-R148 HydrophobicContact CD1-CG 4.46Å; I144-R148 VanDerWaalsContact CG1-CZ 3.48Å; I144-R148 WeakPolarHBondContact O-CB 3.38Å; I144-R148 WeakPolarHBondContact O-CG 3.45Å; I144-R148 PolarHBondContact O-N 3.32Å
145M98.4Very high98.3Very high5 Ų517.1 Ų17.13%0.0259%0.085CC..Hα-helixtrans-68.5-37.6174.8-76.9-61.1-58.100111.3D142 A143 L149 F412 I421D142-M145 HydrophobicContact CB-CB 4.34Å; D142-M145 HydrophobicContact CB-CG 4.36Å; D142-M145 WeakPolarHBondContact O-CB 3.47Å; D142-M145 PolarHBondContact O-N 2.94Å; A143-M145 VanDerWaalsContact C-N 3.31Å; A143-M145 PolarHBondContact O-N 2.95Å; M145-L149 VanDerWaalsContact O-CB 3.31Å; M145-L149 WeakPolarHBondContact O-CB 3.4Å; M145-L149 PolarHBondContact O-N 2.83Å; M145-F412 HydrophobicContact CE-CB 3.95Å; M145-I421 HydrophobicContact CE-CD1 3.75Å; M145-I421 HydrophobicContact CE-CG1 4.42Å; M145-I421 HydrophobicContact SD-CD1 3.61Å
146V98.8Very high98.2Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-66.1-41.5174-175.30000110.8V139 D142 A143 I144 L149 I150 F172 M176V139-V146 HydrophobicContact CB-CG2 3.97Å; V139-V146 HydrophobicContact CG1-CG1 4.15Å; V139-V146 HydrophobicContact CG1-CG2 3.78Å; V139-V146 HydrophobicContact CG2-CG2 4.47Å; D142-V146 PolarHBondContact O-N 3.38Å; A143-V146 PolarHBondContact O-N 3.3Å; I144-V146 VanDerWaalsContact C-N 3.35Å; V146-L149 PolarHBondContact O-N 3.09Å; V146-I150 HydrophobicContact CG1-CD1 4Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CB 3.01Å; V146-I150 WeakPolarHBondContact O-CG1 3.05Å; V146-I150 PolarHBondContact O-N 3.12Å; V146-F172 HydrophobicContact CG2-CE2 4.32Å; V146-F172 HydrophobicContact CG2-CZ 4.28Å; V146-M176 HydrophobicContact CB-CE 4.01Å; V146-M176 HydrophobicContact CB-SD 4.15Å; V146-M176 HydrophobicContact CG1-CE 4.15Å; V146-M176 HydrophobicContact CG1-SD 3.73Å; V146-M176 HydrophobicContact CG2-CE 4.4Å; V146-M176 HydrophobicContact CG2-SD 4.37Å
147E98.5Very high98.1Very high1 Ų125.3 Ų25.31%0.00512%0.123CC..Hα-helixtrans-60.4-49.5176-169.7-84.7155.800111.7Y113 R117 A143 I144 L149 I150 H151 L179Y113-E147 HydrophobicContact CE2-CG 4.33Å; Y113-E147 WeakPolarHBondContact CE2-OE1 3.14Å; Y113-E147 WeakPolarHBondContact OH-CG 3.35Å; Y113-E147 PolarHBondContact OH-OE1 3.19Å; R117-E147 IonicContact CZ-OE1 2.83Å; R117-E147 IonicContact CZ-OE2 3.56Å; R117-E147 IonicContact NE-OE1 2.81Å; R117-E147 PolarHBondContact NE-OE1 2.88Å; R117-E147 IonicContact NE-OE2 3.41Å; R117-E147 PolarHBondContact NE-OE2 2.71Å; R117-E147 IonicContact NH2-OE1 2.74Å; R117-E147 IonicContact NH2-OE2 3.83Å; R117-E147 PolarHBondContact NH2-OE2 2.93Å; A143-E147 WeakPolarHBondContact O-CB 3.28Å; A143-E147 PolarHBondContact O-N 2.87Å; I144-E147 HydrophobicContact CD1-CB 4.37Å; I144-E147 PolarHBondContact O-N 3.18Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.21Å; E147-I150 PolarHBondContact O-N 3.36Å; E147-H151 WeakPolarHBondContact O-CB 3.36Å; E147-H151 PolarHBondContact O-N 3.39Å; E147-L179 HydrophobicContact CB-CD1 4.16Å; E147-L179 HydrophobicContact CB-CD2 4.34Å; E147-L179 HydrophobicContact CG-CD1 4.48Å; E147-L179 HydrophobicContact CG-CD2 3.77Å
148R98.5Very high98.1Very high25 Ų2525.3 Ų25.39%0.09412%0.123CC..Hα-helixtrans-62.9-38.8175.9-70.9177.5-174.41363.7112.6V46 E47 D97 I144 H151 A152 F231V46-R148 VanDerWaalsContact CG1-NH2 3.31Å; E47-R148 IonicContact OE2-CZ 3.41Å; E47-R148 VanDerWaalsContact OE2-CZ 3.24Å; E47-R148 IonicContact OE2-NE 2.68Å; E47-R148 PolarHBondContact OE2-NE 2.77Å; E47-R148 IonicContact OE2-NH2 3.21Å; E47-R148 PolarHBondContact OE2-NH2 3.26Å; D97-R148 IonicContact OD1-CZ 2.81Å; D97-R148 IonicContact OD1-NH1 2.71Å; D97-R148 IonicContact OD1-NH2 3.58Å; D97-R148 PolarHBondContact OD1-NH2 2.84Å; D97-R148 IonicContact OD2-CZ 3.48Å; D97-R148 IonicContact OD2-NH1 3.34Å; D97-R148 PolarHBondContact OD2-NH1 3.46Å; D97-R148 IonicContact OD2-NH2 3.47Å; D97-R148 PolarHBondContact OD2-NH2 2.04Å; I144-R148 HydrophobicContact CD1-CG 4.46Å; I144-R148 VanDerWaalsContact CG1-CZ 3.48Å; I144-R148 WeakPolarHBondContact O-CB 3.38Å; I144-R148 WeakPolarHBondContact O-CG 3.45Å; I144-R148 PolarHBondContact O-N 3.32Å; R148-H151 PolarHBondContact O-N 2.82Å; R148-A152 WeakPolarHBondContact O-CB 3.24Å; R148-A152 PolarHBondContact O-N 3.17Å; R148-F231 HydrophobicContact CB-CE2 4.35Å
149L98.8Very high98.1Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-62.1-51.1174.6173.557.4000110.6L137 M145 V146 E147 H151 A152 I153 L226 D230L137-L149 HydrophobicContact CD2-CD2 3.67Å; L137-L149 HydrophobicContact CD2-CG 4.31Å; M145-L149 VanDerWaalsContact O-CB 3.31Å; M145-L149 WeakPolarHBondContact O-CB 3.4Å; M145-L149 PolarHBondContact O-N 2.83Å; V146-L149 PolarHBondContact O-N 3.09Å; E147-L149 VanDerWaalsContact C-N 3.35Å; E147-L149 PolarHBondContact O-N 3.21Å; L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 2.83Å; L149-A152 PolarHBondContact O-N 2.8Å; L149-A152 VanDerWaalsContact O-N 3.16Å; L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CG2 4.01Å; L149-I153 HydrophobicContact CG-CD1 4.41Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.1Å; L149-L226 HydrophobicContact CD1-CD1 4.28Å; L149-L226 HydrophobicContact CD2-CB 4.37Å; L149-L226 HydrophobicContact CD2-CD1 4.29Å; L149-D230 WeakPolarHBondContact CD1-O 3.28Å
150I98.7Very high98.1Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-56.7-48.6176.4-72.8170.5000109.5L137 V146 E147 A152 I153 Y154 I162 I186L137-I150 HydrophobicContact CD1-CD1 4.38Å; L137-I150 HydrophobicContact CD1-CG1 4.09Å; V146-I150 HydrophobicContact CG1-CD1 4Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CB 3.01Å; V146-I150 WeakPolarHBondContact O-CG1 3.05Å; V146-I150 PolarHBondContact O-N 3.12Å; E147-I150 PolarHBondContact O-N 3.36Å; I150-A152 VanDerWaalsContact C-N 3.29Å; I150-A152 PolarHBondContact O-N 3.07Å; I150-I153 PolarHBondContact O-N 3Å; I150-I153 VanDerWaalsContact O-N 3.16Å; I150-Y154 WeakPolarHBondContact O-CA 3.34Å; I150-Y154 WeakPolarHBondContact O-CB 3.4Å; I150-Y154 PolarHBondContact O-N 3.43Å; I150-I162 HydrophobicContact CD1-CD1 3.8Å; I150-I186 HydrophobicContact CG2-CD1 3.62Å
151H98.3Very high98.1Very high32 Ų3220.2 Ų20.215%0.14810%0.099CC..Hα-helixtrans-55.7-44.2177.6-178.4-104.7000111.4R117 Y119 K122 E147 R148 L149 I153 E429R117-H151 PolarHBondContact O-CD2 2.87Å; R117-H151 PolarHBondContact O-NE2 3.5Å; Y119-H151 AromaticContact CE2-CD2 3.97Å; Y119-H151 AromaticContact CZ-CD2 3.77Å; K122-H151 WeakPolarHBondContact CE-O 3.41Å; K122-H151 PolarHBondContact NZ-O 2.89Å; E147-H151 WeakPolarHBondContact O-CB 3.36Å; E147-H151 PolarHBondContact O-N 3.39Å; R148-H151 PolarHBondContact O-N 2.82Å; L149-H151 VanDerWaalsContact C-N 3.31Å; L149-H151 PolarHBondContact O-N 2.83Å; H151-I153 PolarHBondContact O-N 3.4Å; H151-E429 IonicContact CE1-OE1 3.77Å
152A98.4Very high98.2Very high31 Ų3116.4 Ų16.426%0.2568%0.082SC..Hα-helixtrans-64.3-40.7177.700000113.4R148 L149 I150 F231 P232R148-A152 WeakPolarHBondContact O-CB 3.24Å; R148-A152 PolarHBondContact O-N 3.17Å; L149-A152 PolarHBondContact O-N 2.8Å; L149-A152 VanDerWaalsContact O-N 3.16Å; I150-A152 VanDerWaalsContact C-N 3.29Å; I150-A152 PolarHBondContact O-N 3.07Å; A152-F231 HydrophobicContact CB-CE1 4.03Å; A152-F231 HydrophobicContact CB-CE2 4.27Å; A152-F231 HydrophobicContact CB-CZ 3.72Å; A152-P232 HydrophobicContact CB-CG 3.73Å
153I98.5Very high98.3Very high8 Ų814.8 Ų14.84%0.0417%0.073CC..Hα-helixtrans-95.3-8-174.669.5178.5000114.5Y135 L137 L149 I150 H151 Y160 L226 P232 F408Y135-I153 HydrophobicContact CD1-CD1 3.87Å; Y135-I153 HydrophobicContact CD2-CD1 4.44Å; Y135-I153 HydrophobicContact CE1-CB 4.47Å; Y135-I153 HydrophobicContact CE1-CD1 4.11Å; Y135-I153 HydrophobicContact CG-CD1 4.03Å; L137-I153 HydrophobicContact CD2-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CD1 4.47Å; L149-I153 HydrophobicContact CD1-CG2 4.01Å; L149-I153 HydrophobicContact CG-CD1 4.41Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.1Å; I150-I153 PolarHBondContact O-N 3Å; I150-I153 VanDerWaalsContact O-N 3.16Å; H151-I153 PolarHBondContact O-N 3.4Å; I153-Y160 HydrophobicContact CD1-CD1 4.11Å; I153-Y160 HydrophobicContact CD1-CE1 3.9Å; I153-Y160 HydrophobicContact CG1-CD1 4.38Å; I153-Y160 HydrophobicContact CG1-CE1 3.77Å; I153-Y160 PolarHBondContact O-OH 2.95Å; I153-L226 HydrophobicContact CD1-CD1 3.59Å; I153-P232 HydrophobicContact CG2-CB 4.26Å; I153-P232 HydrophobicContact CG2-CG 3.91Å; I153-F408 HydrophobicContact CG2-CE1 3.94Å; I153-F408 HydrophobicContact CG2-CZ 4.47Å
154Y98.4Very high98.3Very high16 Ų1616.1 Ų16.16%0.0638%0.078CC..  trans-68.5136.1-171.1179.2-91000112.2Y119 K122 I150 Q156 Y160 F183 N185 I186Y119-Y154 AromaticContact CD1-CD1 3.34Å; Y119-Y154 HydrophobicContact CD1-CD1 3.34Å; Y119-Y154 AromaticContact CD1-CE1 3.7Å; Y119-Y154 HydrophobicContact CD1-CE1 3.7Å; Y119-Y154 AromaticContact CD1-CG 3.81Å; Y119-Y154 HydrophobicContact CD1-CG 3.81Å; Y119-Y154 AromaticContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD1 3.65Å; Y119-Y154 HydrophobicContact CE1-CD2 4.24Å; Y119-Y154 HydrophobicContact CE1-CE1 4.28Å; Y119-Y154 AromaticContact CE1-CG 3.58Å; Y119-Y154 HydrophobicContact CE1-CG 3.58Å; K122-Y154 HydrophobicContact CD-CD1 4.01Å; K122-Y154 WeakPolarHBondContact CD-O 3.43Å; K122-Y154 PolarHBondContact NZ-O 3.42Å; I150-Y154 WeakPolarHBondContact O-CA 3.34Å; I150-Y154 WeakPolarHBondContact O-CB 3.4Å; I150-Y154 PolarHBondContact O-N 3.43Å; Y154-Q156 HydrophobicContact CE1-CG 4.03Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.35Å; Y154-Y160 HydrophobicContact CD2-CD2 4.45Å; Y154-Y160 AromaticContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CE2-CE2 4.36Å; Y154-F183 HydrophobicContact CD2-CD1 4.28Å; Y154-F183 HydrophobicContact CD2-CE1 4.43Å; Y154-F183 HydrophobicContact CE1-CD1 4.39Å; Y154-F183 HydrophobicContact CE1-CE1 4.42Å; Y154-F183 HydrophobicContact CE2-CB 4.22Å; Y154-F183 AromaticContact CE2-CD1 3.46Å; Y154-F183 HydrophobicContact CE2-CD1 3.46Å; Y154-F183 VanDerWaalsContact CE2-CD1 3.46Å; Y154-F183 AromaticContact CE2-CE1 3.96Å; Y154-F183 HydrophobicContact CE2-CE1 3.96Å; Y154-F183 AromaticContact CE2-CG 3.89Å; Y154-F183 HydrophobicContact CE2-CG 3.89Å; Y154-F183 AromaticContact CZ-CD1 3.51Å; Y154-F183 AromaticContact CZ-CE1 3.94Å; Y154-F183 WeakPolarHBondContact OH-CD1 3.18Å; Y154-N185 VanDerWaalsContact CE2-OD1 3.28Å; Y154-N185 WeakPolarHBondContact CE2-OD1 3.01Å; Y154-N185 PolarHBondContact OH-OD1 3.23Å; Y154-I186 HydrophobicContact CD2-CD1 4.05Å; Y154-I186 HydrophobicContact CD2-CG1 4.5Å; Y154-I186 HydrophobicContact CE2-CD1 4.25Å; Y154-I186 HydrophobicContact CE2-CG1 4.34Å
155N96.8Very high98.4Very high8 Ų816.6 Ų16.64%0.0438%0.081CC..  trans-149.4145.5164.2-87.3-47.1000110.2V124 H157 N158 Y160 N185 N236V124-N155 VanDerWaalsContact CG2-OD1 3.25Å; V124-N155 WeakPolarHBondContact CG2-OD1 3.48Å; N155-H157 PolarHBondContact O-N 2.81Å; N155-N158 HydrophobicContact CB-CB 4.47Å; N155-N158 PolarHBondContact O-N 2.97Å; N155-Y160 PolarHBondContact N-OH 3.1Å; N155-N185 PolarHBondContact O-ND2 3.47Å; N155-N236 VanDerWaalsContact ND2-CB 3.31Å; N155-N236 WeakPolarHBondContact ND2-CB 3.38Å; N155-N236 PolarHBondContact ND2-ND2 3.01Å; N155-N236 VanDerWaalsContact ND2-ND2 3.17Å; N155-N236 PolarHBondContact ND2-OD1 2.88Å
156Q95.9Very high98.3Very high143 Ų14324.2 Ų24.267%0.66811%0.11SC*.THydrogen-bonded Turntrans-64.3-24-173-64.6175.5-3.600114.7Y154 N185Y154-Q156 HydrophobicContact CE1-CG 4.03Å; Q156-N185 PolarHBondContact O-ND2 3.36Å
157H96.9Very high98.2Very high32 Ų3229.1 Ų29.115%0.14813%0.131CC..THydrogen-bonded Turntrans-91-16-17956.1-81.7000112.9V124 E128 P132 N155 V218V124-H157 WeakPolarHBondContact CG1-CE1 3.4Å; E128-H157 PolarHBondContact O-CD2 3.46Å; E128-H157 PolarHBondContact O-NE2 3.3Å; E128-H157 VanDerWaalsContact O-NE2 3.14Å; P132-H157 VanDerWaalsContact CB-O 3.3Å; P132-H157 WeakPolarHBondContact CB-O 3.3Å; N155-H157 PolarHBondContact O-N 2.81Å; H157-V218 WeakPolarHBondContact O-CG1 3.42Å
158N98.6Very high98.2Very high0 Ų029.4 Ų29.40%013%0.134CC..SBendtrans-79.4177175.6-72.3-13.1000111I133 N155 Y160 N185 N236I133-N158 PolarHBondContact N-OD1 2.81Å; I133-N158 VanDerWaalsContact O-CA 3.29Å; I133-N158 WeakPolarHBondContact O-CA 3.41Å; I133-N158 WeakPolarHBondContact O-CB 3.46Å; N155-N158 HydrophobicContact CB-CB 4.47Å; N155-N158 PolarHBondContact O-N 2.97Å; N158-Y160 HydrophobicContact CB-CE2 3.7Å; N158-Y160 WeakPolarHBondContact CB-OH 3.11Å; N158-Y160 PolarHBondContact ND2-OH 3.36Å; N158-N185 WeakPolarHBondContact O-CB 3.25Å; N158-N185 PolarHBondContact O-ND2 3.36Å; N158-N236 PolarHBondContact ND2-OD1 2.86Å
159I98.9Very high98.2Very high6 Ų631.7 Ų31.73%0.03115%0.151CC..EExtended strand (participates in β ladder)trans-139.5143.2175.8-172.2162.9000112.5I133 A134 Y135 N185 F187 L213 S216 V218 W220I133-I159 PolarHBondContact O-N 3.34Å; A134-I159 CarbonylContact C-O 3.54Å; A134-I159 VanDerWaalsContact CA-O 3.25Å; A134-I159 WeakPolarHBondContact CA-O 3.32Å; A134-I159 HydrophobicContact CB-CG2 3.62Å; Y135-I159 PolarHBondContact N-O 2.95Å; I159-N185 WeakPolarHBondContact CA-O 3.01Å; I159-F187 HydrophobicContact CD1-CD1 4.36Å; I159-F187 HydrophobicContact CD1-CE1 3.76Å; I159-F187 HydrophobicContact CG1-CD1 4.3Å; I159-F187 HydrophobicContact CG1-CE1 3.79Å; I159-L213 HydrophobicContact CB-CD2 4.44Å; I159-L213 HydrophobicContact CD1-CD2 4.39Å; I159-L213 HydrophobicContact CG1-CD2 4Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; I159-S216 WeakPolarHBondContact CD1-OG 3.44Å; I159-V218 HydrophobicContact CB-CB 4.39Å; I159-V218 HydrophobicContact CB-CG1 4.43Å; I159-V218 HydrophobicContact CB-CG2 4.36Å; I159-V218 HydrophobicContact CD1-CB 4.41Å; I159-V218 HydrophobicContact CD1-CG2 4.19Å; I159-V218 HydrophobicContact CG2-CB 4.4Å; I159-V218 HydrophobicContact CG2-CG1 4.31Å; I159-W220 HydrophobicContact CG2-CB 4.4Å; I159-W220 HydrophobicContact CG2-CG 4.24Å
160Y98.9Very high98.1Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-132122.8-170.6-50.4-96.9000110.2Y135 I153 Y154 N155 N158 N185 I186 F187Y135-Y160 AromaticContact CD2-CD1 3.54Å; Y135-Y160 HydrophobicContact CD2-CD1 3.54Å; Y135-Y160 AromaticContact CD2-CE1 3.17Å; Y135-Y160 HydrophobicContact CD2-CE1 3.17Å; Y135-Y160 AromaticContact CD2-CZ 3.92Å; Y135-Y160 HydrophobicContact CE2-CD1 4.43Å; Y135-Y160 AromaticContact CE2-CE1 3.64Å; Y135-Y160 HydrophobicContact CE2-CE1 3.64Å; Y135-Y160 AromaticContact CG-CD1 3.87Å; Y135-Y160 HydrophobicContact CG-CD1 3.87Å; Y135-Y160 AromaticContact CG-CE1 3.87Å; Y135-Y160 HydrophobicContact CG-CE1 3.87Å; I153-Y160 HydrophobicContact CD1-CD1 4.11Å; I153-Y160 HydrophobicContact CD1-CE1 3.9Å; I153-Y160 HydrophobicContact CG1-CD1 4.38Å; I153-Y160 HydrophobicContact CG1-CE1 3.77Å; I153-Y160 PolarHBondContact O-OH 2.95Å; Y154-Y160 WeakPolarHBondContact CA-OH 3.35Å; Y154-Y160 HydrophobicContact CD2-CD2 4.45Å; Y154-Y160 AromaticContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CD2-CE2 3.93Å; Y154-Y160 HydrophobicContact CE2-CE2 4.36Å; N155-Y160 PolarHBondContact N-OH 3.1Å; N158-Y160 HydrophobicContact CB-CE2 3.7Å; N158-Y160 WeakPolarHBondContact CB-OH 3.11Å; N158-Y160 PolarHBondContact ND2-OH 3.36Å; Y160-N185 WeakPolarHBondContact CD2-O 3.4Å; Y160-N185 PolarHBondContact N-O 2.85Å; Y160-I186 HydrophobicContact CD2-CD1 4.36Å; Y160-I186 HydrophobicContact CD2-CG1 3.78Å; Y160-I186 HydrophobicContact CG-CD1 4.43Å; Y160-I186 HydrophobicContact CG-CG1 4.06Å; Y160-I186 WeakPolarHBondContact O-CA 3.34Å; Y160-F187 WeakPolarHBondContact O-CD1 3.21Å; Y160-F187 PolarHBondContact O-N 3.5Å
161C98.9Very high98.1Very high0 Ų038.8 Ų38.80%019%0.192CC..EExtended strand (participates in β ladder)trans-103.7126.3168.7178.70000109.5Y135 L137 F187 C209 L213Y135-C161 PolarHBondContact O-N 3.1Å; L137-C161 PolarHBondContact N-O 3.19Å; C161-F187 WeakPolarHBondContact CA-O 3.49Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.24Å; C161-F187 HydrophobicContact CB-CE2 3.72Å; C161-F187 HydrophobicContact CB-CZ 3.6Å; C161-F187 VanDerWaalsContact SG-CE2 3.59Å; C161-C209 VanDerWaalsContact C-SG 3.6Å; C161-C209 HydrophobicContact CB-CB 3.67Å; C161-C209 WeakPolarHBondContact CB-SG 3.39Å; C161-C209 WeakPolarHBondContact SG-CA 3.25Å; C161-C209 WeakPolarHBondContact SG-CB 3.48Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 3.16Å; C161-L213 HydrophobicContact CB-CD1 4.24Å; C161-L213 HydrophobicContact CB-CD2 4.08Å; C161-L213 HydrophobicContact CB-CG 3.96Å
162I98.9Very high98.1Very high0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-104.1119173.4-57.7174.3000108.7L137 V139 I150 M176 I186 F187 I188 A189L137-I162 HydrophobicContact CB-CG1 4.41Å; L137-I162 HydrophobicContact CD1-CG1 3.95Å; V139-I162 HydrophobicContact CG2-CG2 3.85Å; I150-I162 HydrophobicContact CD1-CD1 3.8Å; I162-M176 HydrophobicContact CG2-CB 4.48Å; I162-M176 HydrophobicContact CG2-CG 4.48Å; I162-M176 HydrophobicContact CG2-SD 4.23Å; I162-I186 HydrophobicContact CD1-CG2 3.58Å; I162-I186 HydrophobicContact CG1-CG2 4.02Å; I162-F187 PolarHBondContact N-O 3.47Å; I162-I188 HydrophobicContact CB-CD1 3.83Å; I162-I188 HydrophobicContact CD1-CD1 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.05Å; I162-I188 CarbonylContact O-C 3.6Å; I162-I188 WeakPolarHBondContact O-CA 3.46Å; I162-A189 PolarHBondContact O-N 3.13Å
163H98.9Very high98.2Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-105.499.8165.7179.3-63.8000108.8L137 V138 V139 A189 K191 L192 E193 A205L137-H163 PolarHBondContact O-N 3.13Å; V138-H163 WeakPolarHBondContact CA-O 3.48Å; V138-H163 HydrophobicContact CG2-CB 4.39Å; V139-H163 PolarHBondContact N-O 3.17Å; H163-A189 HydrophobicContact CB-CB 4.15Å; H163-K191 PolarHBondContact CD2-O 3.43Å; H163-L192 WeakPolarHBondContact NE2-CA 3.38Å; H163-E193 PolarHBondContact CE1-N 3.08Å; H163-E193 VanDerWaalsContact CE1-N 3.31Å; H163-E193 PolarHBondContact NE2-N 3.19Å; H163-A205 VanDerWaalsContact CE1-CB 3.46Å; H163-A205 WeakPolarHBondContact CE1-CB 3.35Å; H163-A205 WeakPolarHBondContact NE2-CB 3.5Å
164Y98.8Very high98.2Very high27 Ų2740.7 Ų40.711%0.10620%0.199CC..EExtended strand (participates in β ladder)trans-85.5144.5168.461.3-105.7000112.1V139 R166 K173 M176 N177 I188 L192V139-Y164 CarbonylContact O-C 3.59Å; V139-Y164 VanDerWaalsContact O-CA 3.25Å; V139-Y164 WeakPolarHBondContact O-CA 3.5Å; Y164-R166 PolarHBondContact O-N 3.44Å; Y164-K173 HydrophobicContact CD2-CG 3.89Å; Y164-K173 HydrophobicContact CE2-CB 4.11Å; Y164-K173 HydrophobicContact CE2-CD 4.08Å; Y164-K173 HydrophobicContact CE2-CG 3.67Å; Y164-M176 HydrophobicContact CD1-CB 3.67Å; Y164-M176 HydrophobicContact CD1-CG 4.13Å; Y164-M176 HydrophobicContact CE1-CB 4.21Å; Y164-M176 HydrophobicContact CG-CB 4.45Å; Y164-M176 HydrophobicContact CG-CG 4.48Å; Y164-N177 PolarHBondContact OH-ND2 2.79Å; Y164-N177 VanDerWaalsContact OH-ND2 3.13Å; Y164-I188 HydrophobicContact CD1-CD1 4.07Å; Y164-I188 HydrophobicContact CD1-CG2 4.08Å; Y164-I188 HydrophobicContact CE1-CB 4.49Å; Y164-I188 HydrophobicContact CE1-CD1 3.96Å; Y164-I188 HydrophobicContact CE1-CG1 4.11Å; Y164-I188 HydrophobicContact CE1-CG2 3.54Å; Y164-L192 HydrophobicContact CD2-CD1 3.96Å; Y164-L192 HydrophobicContact CE1-CD1 4.16Å; Y164-L192 HydrophobicContact CE2-CD1 3.36Å; Y164-L192 VanDerWaalsContact CZ-CD1 3.48Å
165D98.5Very high98.2Very high14 Ų1439.9 Ų39.98%0.07520%0.196CC..  trans-62.7132.2175.8-167.5-36.4000111V139 H140 K167 A168 A194 V195V139-D165 PolarHBondContact O-N 2.84Å; H140-D165 HydrophobicContact CB-CB 3.67Å; D165-K167 PolarHBondContact O-N 3Å; D165-K167 VanDerWaalsContact O-N 3.12Å; D165-K167 VanDerWaalsContact OD1-CB 3.32Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 WeakPolarHBondContact OD1-CG 3.46Å; D165-K167 PolarHBondContact OD1-N 3.44Å; D165-A168 WeakPolarHBondContact O-CB 3.42Å; D165-A168 PolarHBondContact O-N 2.93Å; D165-A194 WeakPolarHBondContact OD1-CA 3.49Å; D165-V195 PolarHBondContact OD1-N 2.89Å; D165-V195 WeakPolarHBondContact OD2-CB 3.27Å; D165-V195 PolarHBondContact OD2-N 3.47Å; D165-V195 VanDerWaalsContact OD2-N 3.1Å
166R98.1Very high98.3Very high166 Ų16639.5 Ų39.563%0.62619%0.194SC*.THydrogen-bonded Turntrans-57.7-26175.2-73.3-174.564171.15.2113.4Y164 A168 K173 L192 E193 A194Y164-R166 PolarHBondContact O-N 3.44Å; R166-A168 VanDerWaalsContact C-N 3.33Å; R166-K173 VanDerWaalsContact O-CE 3.25Å; R166-K173 WeakPolarHBondContact O-CE 3.38Å; R166-K173 PolarHBondContact O-NZ 2.94Å; R166-L192 WeakPolarHBondContact CD-O 3.46Å; R166-L192 HydrophobicContact CG-CB 3.62Å; R166-E193 PolarHBondContact N-O 3.36Å; R166-A194 HydrophobicContact CB-CB 4.41Å
167K96.8Very high98.4Very high103 Ų10335.8 Ų35.845%0.44818%0.179SC..THydrogen-bonded Turntrans-83-5.5178.1-58.5-177.4-65.5177.70113.6D165 A194 V195 E196D165-K167 PolarHBondContact O-N 3Å; D165-K167 VanDerWaalsContact O-N 3.12Å; D165-K167 VanDerWaalsContact OD1-CB 3.32Å; D165-K167 WeakPolarHBondContact OD1-CB 3.49Å; D165-K167 WeakPolarHBondContact OD1-CG 3.46Å; D165-K167 PolarHBondContact OD1-N 3.44Å; K167-A194 HydrophobicContact CD-CB 4.14Å; K167-A194 HydrophobicContact CG-CB 3.9Å; K167-V195 VanDerWaalsContact CE-O 3.23Å; K167-V195 WeakPolarHBondContact CE-O 3.37Å; K167-V195 PolarHBondContact NZ-O 2.93Å; K167-E196 IonicContact NZ-OE1 3.73Å; K167-E196 PolarHBondContact NZ-OE1 3.43Å; K167-E196 IonicContact NZ-OE2 3.99Å; K167-E196 PolarHBondContact NZ-OE2 2.71Å
168A97.7Very high98.5Very high7 Ų736 Ų366%0.05818%0.181CC..SBendtrans-60.9156.417900000111.6H140 D165 R166 F172 K173H140-A168 WeakPolarHBondContact O-CB 3.23Å; D165-A168 WeakPolarHBondContact O-CB 3.42Å; D165-A168 PolarHBondContact O-N 2.93Å; R166-A168 VanDerWaalsContact C-N 3.33Å; A168-F172 HydrophobicContact CB-CB 4.37Å; A168-F172 HydrophobicContact CB-CD1 3.57Å; A168-F172 HydrophobicContact CB-CE1 4.29Å; A168-F172 HydrophobicContact CB-CG 4.27Å; A168-K173 HydrophobicContact CB-CG 4.44Å; A168-K173 WeakPolarHBondContact O-CE 3.5Å; A168-K173 PolarHBondContact O-NZ 3.02Å
169P98Very high98.5Very high72 Ų7236 Ų3647%0.46818%0.181SC..  trans-56.8152.6171.8-23.734.7000112.2S171 F172 K173P169-S171 PolarHBondContact O-N 2.96Å; P169-F172 HydrophobicContact CB-CB 4.41Å; P169-F172 WeakPolarHBondContact O-CB 3.45Å; P169-F172 PolarHBondContact O-N 3.1Å; P169-K173 WeakPolarHBondContact O-CG 3.38Å; P169-K173 PolarHBondContact O-N 3.23Å; P169-K173 VanDerWaalsContact O-N 3.09Å
170D98.3Very high98.4Very high113 Ų11336 Ų3660%0.60418%0.183SC*.Hα-helixtrans-67.9-36-177-68.6-26000112.6F172 K173 V174D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.7Å; D170-K173 PolarHBondContact O-N 2.92Å; D170-K173 VanDerWaalsContact O-N 3.14Å; D170-K173 IonicContact OD1-NZ 2.69Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 2.9Å
171S98Very high98.4Very high37 Ų3743.9 Ų43.926%0.25922%0.217SC..Hα-helixtrans-56.4-46.3171.751.40000111.6D101 P169 K173 V174 A175D101-S171 WeakPolarHBondContact OD1-CB 3.49Å; P169-S171 PolarHBondContact O-N 2.96Å; S171-K173 PolarHBondContact O-N 2.91Å; S171-V174 PolarHBondContact O-N 2.85Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3.27Å
172F98.8Very high98.4Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-57.6-46.6173.9-174.5-97000112.1D100 V139 K141 A143 V146 A168 P169 D170 V174 A175 M176D100-F172 WeakPolarHBondContact OD2-CB 3.32Å; V139-F172 HydrophobicContact CB-CZ 3.98Å; V139-F172 HydrophobicContact CG2-CE1 4.01Å; V139-F172 HydrophobicContact CG2-CZ 3.77Å; K141-F172 VanDerWaalsContact CA-CE2 3.49Å; K141-F172 VanDerWaalsContact O-CE2 3.26Å; K141-F172 WeakPolarHBondContact O-CE2 2.95Å; A143-F172 HydrophobicContact CB-CD2 3.85Å; A143-F172 HydrophobicContact CB-CE2 4.02Å; V146-F172 HydrophobicContact CG2-CE2 4.32Å; V146-F172 HydrophobicContact CG2-CZ 4.28Å; A168-F172 HydrophobicContact CB-CB 4.37Å; A168-F172 HydrophobicContact CB-CD1 3.57Å; A168-F172 HydrophobicContact CB-CE1 4.29Å; A168-F172 HydrophobicContact CB-CG 4.27Å; P169-F172 HydrophobicContact CB-CB 4.41Å; P169-F172 WeakPolarHBondContact O-CB 3.45Å; P169-F172 PolarHBondContact O-N 3.1Å; D170-F172 VanDerWaalsContact C-N 3.33Å; D170-F172 PolarHBondContact O-N 2.7Å; F172-V174 PolarHBondContact O-N 3.5Å; F172-A175 WeakPolarHBondContact O-CB 3.14Å; F172-A175 PolarHBondContact O-N 2.85Å; F172-M176 HydrophobicContact CD1-CG 4.04Å; F172-M176 HydrophobicContact CD2-CE 4.48Å; F172-M176 HydrophobicContact CE1-CG 3.6Å; F172-M176 HydrophobicContact CE1-SD 4.24Å; F172-M176 HydrophobicContact CE2-CE 3.93Å; F172-M176 HydrophobicContact CE2-CG 4.43Å; F172-M176 HydrophobicContact CE2-SD 4.31Å; F172-M176 HydrophobicContact CZ-CE 4.07Å; F172-M176 HydrophobicContact CZ-CG 3.81Å; F172-M176 HydrophobicContact CZ-SD 3.82Å; F172-M176 WeakPolarHBondContact O-CG 3.45Å; F172-M176 PolarHBondContact O-N 3.43Å
173K98.8Very high98.4Very high45 Ų4544.8 Ų44.820%0.19622%0.221CC..Hα-helixtrans-61.6-44.3178.5-63.7175-166.2138.80111.1Y164 R166 A168 P169 D170 S171 A175 M176 N177Y164-K173 HydrophobicContact CD2-CG 3.89Å; Y164-K173 HydrophobicContact CE2-CB 4.11Å; Y164-K173 HydrophobicContact CE2-CD 4.08Å; Y164-K173 HydrophobicContact CE2-CG 3.67Å; R166-K173 VanDerWaalsContact O-CE 3.25Å; R166-K173 WeakPolarHBondContact O-CE 3.38Å; R166-K173 PolarHBondContact O-NZ 2.94Å; A168-K173 HydrophobicContact CB-CG 4.44Å; A168-K173 WeakPolarHBondContact O-CE 3.5Å; A168-K173 PolarHBondContact O-NZ 3.02Å; P169-K173 WeakPolarHBondContact O-CG 3.38Å; P169-K173 PolarHBondContact O-N 3.23Å; P169-K173 VanDerWaalsContact O-N 3.09Å; D170-K173 PolarHBondContact O-N 2.92Å; D170-K173 VanDerWaalsContact O-N 3.14Å; D170-K173 IonicContact OD1-NZ 2.69Å; D170-K173 PolarHBondContact OD1-NZ 3.47Å; S171-K173 PolarHBondContact O-N 2.91Å; K173-A175 VanDerWaalsContact C-N 3.34Å; K173-M176 PolarHBondContact O-N 2.87Å; K173-N177 PolarHBondContact O-N 2.03Å; K173-N177 PolarHBondContact O-ND2 2.68Å
174V98.7Very high98.3Very high65 Ų6551 Ų5139%0.39426%0.264SS..Hα-helixtrans-62.3-44.1177.6176.80000110.1V104 D170 S171 F172 M176 N177 N178V104-V174 HydrophobicContact CB-CG1 4.43Å; V104-V174 HydrophobicContact CG1-CG1 3.77Å; V104-V174 HydrophobicContact CG2-CB 3.94Å; V104-V174 HydrophobicContact CG2-CG1 3.76Å; D170-V174 WeakPolarHBondContact O-CG2 3.48Å; D170-V174 PolarHBondContact O-N 2.9Å; S171-V174 PolarHBondContact O-N 2.85Å; F172-V174 PolarHBondContact O-N 3.5Å; V174-M176 PolarHBondContact O-N 2.96Å; V174-N177 PolarHBondContact O-N 3.28Å; V174-N178 PolarHBondContact O-N 3.47Å
175A98.6Very high98.3Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-57.6-46.3176.500000111.9V103 V104 A143 S171 F172 K173 N177 N178 L179V103-A175 HydrophobicContact CB-CB 4.02Å; V103-A175 HydrophobicContact CG1-CB 3.89Å; V104-A175 HydrophobicContact CG2-CB 3.91Å; A143-A175 HydrophobicContact CB-CB 3.73Å; S171-A175 WeakPolarHBondContact O-CB 3.31Å; S171-A175 PolarHBondContact O-N 3.27Å; F172-A175 WeakPolarHBondContact O-CB 3.14Å; F172-A175 PolarHBondContact O-N 2.85Å; K173-A175 VanDerWaalsContact C-N 3.34Å; A175-N177 PolarHBondContact O-N 2.87Å; A175-N178 PolarHBondContact O-N 3.2Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.33Å
176M98.8Very high98.3Very high0 Ų049.9 Ų49.90%026%0.26CS..Hα-helixtrans-64.1-41.1178-65.5-56.299.800112.3V139 A143 V146 I162 Y164 F172 K173 V174 L179 A180 I188V139-M176 HydrophobicContact CG2-CG 4.47Å; V139-M176 HydrophobicContact CG2-SD 4.01Å; A143-M176 HydrophobicContact CB-CE 3.61Å; V146-M176 HydrophobicContact CB-CE 4.01Å; V146-M176 HydrophobicContact CB-SD 4.15Å; V146-M176 HydrophobicContact CG1-CE 4.15Å; V146-M176 HydrophobicContact CG1-SD 3.73Å; V146-M176 HydrophobicContact CG2-CE 4.4Å; V146-M176 HydrophobicContact CG2-SD 4.37Å; I162-M176 HydrophobicContact CG2-CB 4.48Å; I162-M176 HydrophobicContact CG2-CG 4.48Å; I162-M176 HydrophobicContact CG2-SD 4.23Å; Y164-M176 HydrophobicContact CD1-CB 3.67Å; Y164-M176 HydrophobicContact CD1-CG 4.13Å; Y164-M176 HydrophobicContact CE1-CB 4.21Å; Y164-M176 HydrophobicContact CG-CB 4.45Å; Y164-M176 HydrophobicContact CG-CG 4.48Å; F172-M176 HydrophobicContact CD1-CG 4.04Å; F172-M176 HydrophobicContact CD2-CE 4.48Å; F172-M176 HydrophobicContact CE1-CG 3.6Å; F172-M176 HydrophobicContact CE1-SD 4.24Å; F172-M176 HydrophobicContact CE2-CE 3.93Å; F172-M176 HydrophobicContact CE2-CG 4.43Å; F172-M176 HydrophobicContact CE2-SD 4.31Å; F172-M176 HydrophobicContact CZ-CE 4.07Å; F172-M176 HydrophobicContact CZ-CG 3.81Å; F172-M176 HydrophobicContact CZ-SD 3.82Å; F172-M176 WeakPolarHBondContact O-CG 3.45Å; F172-M176 PolarHBondContact O-N 3.43Å; K173-M176 PolarHBondContact O-N 2.87Å; V174-M176 PolarHBondContact O-N 2.96Å; M176-L179 HydrophobicContact CE-CD1 3.67Å; M176-L179 HydrophobicContact SD-CD1 4.48Å; M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.13Å; M176-I188 HydrophobicContact CB-CD1 4.29Å
177N98.8Very high98.3Very high65 Ų6544.6 Ų44.635%0.34824%0.242SC..Hα-helixtrans-65.7-42.1177.3-79-72.7000112Y164 K173 V174 A175 A180 K181Y164-N177 PolarHBondContact OH-ND2 2.79Å; Y164-N177 VanDerWaalsContact OH-ND2 3.13Å; K173-N177 PolarHBondContact O-N 2.03Å; K173-N177 PolarHBondContact O-ND2 2.68Å; V174-N177 PolarHBondContact O-N 3.28Å; A175-N177 PolarHBondContact O-N 2.87Å; N177-A180 PolarHBondContact O-N 3.44Å; N177-K181 WeakPolarHBondContact O-CB 3.17Å; N177-K181 PolarHBondContact O-N 2.69Å
178N98.4Very high98.4Very high35 Ų3541.4 Ų41.419%0.18723%0.229CC..Hα-helixtrans-65.2-45.5176.6-72.7-0.5000111.5V104 T107 V174 A175 A180 K181 C182V104-N178 PolarHBondContact O-ND2 3.3Å; T107-N178 WeakPolarHBondContact OG1-CB 3.19Å; V174-N178 PolarHBondContact O-N 3.47Å; A175-N178 PolarHBondContact O-N 3.2Å; N178-A180 VanDerWaalsContact C-N 3.35Å; N178-A180 PolarHBondContact O-N 3.4Å; N178-K181 PolarHBondContact O-N 3.26Å; N178-C182 PolarHBondContact O-N 3.49Å; N178-C182 PolarHBondContact O-SG 2.83Å; N178-C182 VanDerWaalsContact O-SG 3.37Å
179L98.3Very high98.5Very high0 Ų041.3 Ų41.30%023%0.229CC..Hα-helixtrans-54.4-51.1174.2-78.5171.2000110.9V103 T107 Y113 E147 A175 M176 K181 C182 F183V103-L179 HydrophobicContact CG1-CD1 4.08Å; V103-L179 HydrophobicContact CG1-CG 4.22Å; T107-L179 HydrophobicContact CG2-CD2 3.59Å; T107-L179 HydrophobicContact CG2-CG 4.04Å; Y113-L179 HydrophobicContact CE1-CD2 4.06Å; E147-L179 HydrophobicContact CB-CD1 4.16Å; E147-L179 HydrophobicContact CB-CD2 4.34Å; E147-L179 HydrophobicContact CG-CD1 4.48Å; E147-L179 HydrophobicContact CG-CD2 3.77Å; A175-L179 WeakPolarHBondContact O-CB 3.48Å; A175-L179 WeakPolarHBondContact O-CG 3.44Å; A175-L179 PolarHBondContact O-N 3.33Å; M176-L179 HydrophobicContact CE-CD1 3.67Å; M176-L179 HydrophobicContact SD-CD1 4.48Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-K181 PolarHBondContact O-N 3.01Å; L179-C182 PolarHBondContact O-N 2.99Å; L179-F183 WeakPolarHBondContact O-CD2 3.32Å
180A98.6Very high98.5Very high8 Ų841.9 Ų41.97%0.06623%0.234CC..Hα-helixtrans-60.2-43.9178.500000112.1M176 N177 N178 C182 F183 I186 I188M176-A180 WeakPolarHBondContact O-CB 3.49Å; M176-A180 PolarHBondContact O-N 3.13Å; N177-A180 PolarHBondContact O-N 3.44Å; N178-A180 VanDerWaalsContact C-N 3.35Å; N178-A180 PolarHBondContact O-N 3.4Å; A180-C182 PolarHBondContact O-N 3Å; A180-F183 PolarHBondContact O-N 3.46Å; A180-F183 VanDerWaalsContact O-N 3.12Å; A180-I186 HydrophobicContact CB-CG2 4.07Å; A180-I188 HydrophobicContact CB-CD1 3.75Å; A180-I188 HydrophobicContact CB-CG1 3.97Å
181K98.3Very high98.5Very high165 Ų16542.8 Ų42.872%0.71723%0.233SC*.Hα-helixtrans-59.8-30.9178.6-178.1-175.3173.4-166.80112.8N177 N178 L179 F183N177-K181 WeakPolarHBondContact O-CB 3.17Å; N177-K181 PolarHBondContact O-N 2.69Å; N178-K181 PolarHBondContact O-N 3.26Å; L179-K181 VanDerWaalsContact C-N 3.35Å; L179-K181 PolarHBondContact O-N 3.01Å; K181-F183 PolarHBondContact O-N 3.28Å
182C98.5Very high98.6Very high6 Ų642.7 Ų42.74%0.04123%0.229CC..THydrogen-bonded Turntrans-73.3-3.3179.5-68.50000114.3C110 Y113 Q114 N178 L179 A180C110-C182 WeakPolarHBondContact CA-SG 3.39Å; C110-C182 HydrophobicContact CB-CB 3.66Å; C110-C182 WeakPolarHBondContact CB-SG 3.43Å; C110-C182 WeakPolarHBondContact SG-CA 3.33Å; C110-C182 WeakPolarHBondContact SG-CB 3.25Å; C110-C182 CovalentContact SG-SG 2.06Å; C110-C182 PolarHBondContact SG-SG 3.16Å; Y113-C182 HydrophobicContact CD1-CB 4.18Å; Q114-C182 PolarHBondContact NE2-O 3.04Å; N178-C182 PolarHBondContact O-N 3.49Å; N178-C182 PolarHBondContact O-SG 2.83Å; N178-C182 VanDerWaalsContact O-SG 3.37Å; L179-C182 PolarHBondContact O-N 2.99Å; A180-C182 PolarHBondContact O-N 3Å
183F98.3Very high98.6Very high13 Ų1345.2 Ų45.26%0.05724%0.241CC..  trans-136.3144.4178.5-55.1-83000111.4Y113 Q114 Y119 Y154 L179 A180 K181 N185 I186Y113-F183 HydrophobicContact CD1-CZ 4.43Å; Y113-F183 AromaticContact CE1-CE2 3.88Å; Y113-F183 HydrophobicContact CE1-CE2 3.88Å; Y113-F183 AromaticContact CE1-CZ 3.7Å; Y113-F183 HydrophobicContact CE1-CZ 3.7Å; Q114-F183 HydrophobicContact CG-CE1 4.08Å; Q114-F183 HydrophobicContact CG-CZ 4.46Å; Y119-F183 AromaticContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CE1 3.75Å; Y119-F183 HydrophobicContact CD1-CZ 4.13Å; Y119-F183 HydrophobicContact CD2-CE1 4.14Å; Y119-F183 HydrophobicContact CD2-CZ 4.1Å; Y119-F183 AromaticContact CE1-CE1 3.72Å; Y119-F183 HydrophobicContact CE1-CE1 3.72Å; Y119-F183 AromaticContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE1-CZ 3.67Å; Y119-F183 HydrophobicContact CE2-CE1 4.09Å; Y119-F183 AromaticContact CE2-CZ 3.61Å; Y119-F183 HydrophobicContact CE2-CZ 3.61Å; Y119-F183 AromaticContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CE1 3.95Å; Y119-F183 HydrophobicContact CG-CZ 4.32Å; Y119-F183 AromaticContact CZ-CE1 3.89Å; Y119-F183 AromaticContact CZ-CZ 3.37Å; Y154-F183 HydrophobicContact CD2-CD1 4.28Å; Y154-F183 HydrophobicContact CD2-CE1 4.43Å; Y154-F183 HydrophobicContact CE1-CD1 4.39Å; Y154-F183 HydrophobicContact CE1-CE1 4.42Å; Y154-F183 HydrophobicContact CE2-CB 4.22Å; Y154-F183 AromaticContact CE2-CD1 3.46Å; Y154-F183 HydrophobicContact CE2-CD1 3.46Å; Y154-F183 VanDerWaalsContact CE2-CD1 3.46Å; Y154-F183 AromaticContact CE2-CE1 3.96Å; Y154-F183 HydrophobicContact CE2-CE1 3.96Å; Y154-F183 AromaticContact CE2-CG 3.89Å; Y154-F183 HydrophobicContact CE2-CG 3.89Å; Y154-F183 AromaticContact CZ-CD1 3.51Å; Y154-F183 AromaticContact CZ-CE1 3.94Å; Y154-F183 WeakPolarHBondContact OH-CD1 3.18Å; L179-F183 WeakPolarHBondContact O-CD2 3.32Å; A180-F183 PolarHBondContact O-N 3.46Å; A180-F183 VanDerWaalsContact O-N 3.12Å; K181-F183 PolarHBondContact O-N 3.28Å; F183-N185 VanDerWaalsContact C-N 3.27Å; F183-N185 PolarHBondContact O-N 2.86Å; F183-I186 HydrophobicContact CB-CB 4.02Å; F183-I186 HydrophobicContact CB-CD1 4.06Å; F183-I186 HydrophobicContact CB-CG1 3.67Å; F183-I186 HydrophobicContact CD2-CB 4.44Å; F183-I186 HydrophobicContact CD2-CD1 3.41Å; F183-I186 VanDerWaalsContact CD2-CD1 3.41Å; F183-I186 HydrophobicContact CD2-CG1 3.99Å; F183-I186 HydrophobicContact CE2-CD1 4Å; F183-I186 HydrophobicContact CG-CD1 3.82Å; F183-I186 HydrophobicContact CG-CG1 4.01Å
184S97.3Very high98.5Very high129 Ų12945.1 Ų45.190%0.90225%0.249SC*.THydrogen-bonded Turntrans-75.4-18177.758.60000113.5
185N98.4Very high98.4Very high11 Ų1143.2 Ų43.26%0.05924%0.237CC..THydrogen-bonded Turntrans-11511.5-175.566.4-30.1000113.4Y154 N155 Q156 N158 I159 Y160 F183Y154-N185 VanDerWaalsContact CE2-OD1 3.28Å; Y154-N185 WeakPolarHBondContact CE2-OD1 3.01Å; Y154-N185 PolarHBondContact OH-OD1 3.23Å; N155-N185 PolarHBondContact O-ND2 3.47Å; Q156-N185 PolarHBondContact O-ND2 3.36Å; N158-N185 WeakPolarHBondContact O-CB 3.25Å; N158-N185 PolarHBondContact O-ND2 3.36Å; I159-N185 WeakPolarHBondContact CA-O 3.01Å; Y160-N185 WeakPolarHBondContact CD2-O 3.4Å; Y160-N185 PolarHBondContact N-O 2.85Å; F183-N185 VanDerWaalsContact C-N 3.27Å; F183-N185 PolarHBondContact O-N 2.86Å
186I98.8Very high98.3Very high7 Ų744.4 Ų44.44%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-114.5132.4168.6-52-168000108.2I150 Y154 Y160 I162 A180 F183I150-I186 HydrophobicContact CG2-CD1 3.62Å; Y154-I186 HydrophobicContact CD2-CD1 4.05Å; Y154-I186 HydrophobicContact CD2-CG1 4.5Å; Y154-I186 HydrophobicContact CE2-CD1 4.25Å; Y154-I186 HydrophobicContact CE2-CG1 4.34Å; Y160-I186 HydrophobicContact CD2-CD1 4.36Å; Y160-I186 HydrophobicContact CD2-CG1 3.78Å; Y160-I186 HydrophobicContact CG-CD1 4.43Å; Y160-I186 HydrophobicContact CG-CG1 4.06Å; Y160-I186 WeakPolarHBondContact O-CA 3.34Å; I162-I186 HydrophobicContact CD1-CG2 3.58Å; I162-I186 HydrophobicContact CG1-CG2 4.02Å; A180-I186 HydrophobicContact CB-CG2 4.07Å; F183-I186 HydrophobicContact CB-CB 4.02Å; F183-I186 HydrophobicContact CB-CD1 4.06Å; F183-I186 HydrophobicContact CB-CG1 3.67Å; F183-I186 HydrophobicContact CD2-CB 4.44Å; F183-I186 HydrophobicContact CD2-CD1 3.41Å; F183-I186 VanDerWaalsContact CD2-CD1 3.41Å; F183-I186 HydrophobicContact CD2-CG1 3.99Å; F183-I186 HydrophobicContact CE2-CD1 4Å; F183-I186 HydrophobicContact CG-CD1 3.82Å; F183-I186 HydrophobicContact CG-CG1 4.01Å
187F98.9Very high98.1Very high56 Ų5650.5 Ų50.525%0.24627%0.266CS..EExtended strand (participates in β ladder)trans-141.7155177.565.1-89.6000111.9I159 Y160 C161 I162 D212 L213I159-F187 HydrophobicContact CD1-CD1 4.36Å; I159-F187 HydrophobicContact CD1-CE1 3.76Å; I159-F187 HydrophobicContact CG1-CD1 4.3Å; I159-F187 HydrophobicContact CG1-CE1 3.79Å; Y160-F187 WeakPolarHBondContact O-CD1 3.21Å; Y160-F187 PolarHBondContact O-N 3.5Å; C161-F187 WeakPolarHBondContact CA-O 3.49Å; C161-F187 HydrophobicContact CB-CD2 4.47Å; C161-F187 HydrophobicContact CB-CE1 4.24Å; C161-F187 HydrophobicContact CB-CE2 3.72Å; C161-F187 HydrophobicContact CB-CZ 3.6Å; C161-F187 VanDerWaalsContact SG-CE2 3.59Å; I162-F187 PolarHBondContact N-O 3.47Å; F187-D212 HydrophobicContact CE2-CB 3.55Å; F187-D212 HydrophobicContact CZ-CB 3.96Å; F187-L213 HydrophobicContact CE1-CD2 4Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.22Å
188I98.9Very high98Very high35 Ų3547.6 Ų47.618%0.17925%0.252CS..EExtended strand (participates in β ladder)trans-81.4135.5170.8-55.9-52.3000109I162 Y164 M176 A180 S190 L192I162-I188 HydrophobicContact CB-CD1 3.83Å; I162-I188 HydrophobicContact CD1-CD1 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.05Å; I162-I188 CarbonylContact O-C 3.6Å; I162-I188 WeakPolarHBondContact O-CA 3.46Å; Y164-I188 HydrophobicContact CD1-CD1 4.07Å; Y164-I188 HydrophobicContact CD1-CG2 4.08Å; Y164-I188 HydrophobicContact CE1-CB 4.49Å; Y164-I188 HydrophobicContact CE1-CD1 3.96Å; Y164-I188 HydrophobicContact CE1-CG1 4.11Å; Y164-I188 HydrophobicContact CE1-CG2 3.54Å; M176-I188 HydrophobicContact CB-CD1 4.29Å; A180-I188 HydrophobicContact CB-CD1 3.75Å; A180-I188 HydrophobicContact CB-CG1 3.97Å; I188-S190 PolarHBondContact O-N 2.76Å; I188-L192 HydrophobicContact CG2-CD1 4.24Å; I188-L192 HydrophobicContact CG2-CD2 4.07Å
189A98.9Very high98Very high5 Ų548.1 Ų48.14%0.04125%0.253CS..  trans-51.9135.4175.400000111I162 H163 K191 L192I162-A189 PolarHBondContact O-N 3.13Å; H163-A189 HydrophobicContact CB-CB 4.15Å; A189-K191 PolarHBondContact O-N 2.84Å; A189-L192 HydrophobicContact CB-CD2 4.06Å
190S98.7Very high98Very high84 Ų8449 Ų4959%0.58726%0.258SS*.SBendtrans-64.7-22-179.765.30000113I188 D212I188-S190 PolarHBondContact O-N 2.76Å; S190-D212 WeakPolarHBondContact CB-OD2 3.49Å; S190-D212 PolarHBondContact N-OD2 2.92Å; S190-D212 PolarHBondContact OG-OD1 2.79Å; S190-D212 PolarHBondContact OG-OD2 3.18Å
191K98.8Very high98Very high133 Ų13349 Ų4958%0.57826%0.257SS*.SBendtrans-126.9124.9174.4-66.2-178.4-177.6178.70109.7H163 A189 N208H163-K191 PolarHBondContact CD2-O 3.43Å; A189-K191 PolarHBondContact O-N 2.84Å; K191-N208 HydrophobicContact CB-CB 4.22Å; K191-N208 WeakPolarHBondContact O-CB 3.32Å; K191-N208 PolarHBondContact O-ND2 3.45Å; K191-N208 VanDerWaalsContact O-ND2 3.08Å
192L98.8Very high98Very high35 Ų3542.6 Ų42.618%0.18323%0.228CC..  trans-112.3136.1178.3-59.1172.1000110.1H163 Y164 R166 I188 A189H163-L192 WeakPolarHBondContact NE2-CA 3.38Å; Y164-L192 HydrophobicContact CD2-CD1 3.96Å; Y164-L192 HydrophobicContact CE1-CD1 4.16Å; Y164-L192 HydrophobicContact CE2-CD1 3.36Å; Y164-L192 VanDerWaalsContact CZ-CD1 3.48Å; R166-L192 WeakPolarHBondContact CD-O 3.46Å; R166-L192 HydrophobicContact CG-CB 3.62Å; I188-L192 HydrophobicContact CG2-CD1 4.24Å; I188-L192 HydrophobicContact CG2-CD2 4.07Å; A189-L192 HydrophobicContact CB-CD2 4.06Å
193E98.5Very high98Very high53 Ų5342.3 Ų42.325%0.24823%0.226CC..  trans-99.8150.1177.5-58-55.1146.900111.3H163 R166 V195 Q204 N208H163-E193 PolarHBondContact CE1-N 3.08Å; H163-E193 VanDerWaalsContact CE1-N 3.31Å; H163-E193 PolarHBondContact NE2-N 3.19Å; R166-E193 PolarHBondContact N-O 3.36Å; E193-V195 HydrophobicContact CB-CG2 4.15Å; E193-V195 PolarHBondContact O-N 2.97Å; E193-Q204 HydrophobicContact CG-CB 4.07Å; E193-Q204 HydrophobicContact CG-CG 3.8Å; E193-Q204 WeakPolarHBondContact OE1-CG 3.45Å; E193-N208 PolarHBondContact OE1-ND2 2.93Å
194A97.6Very high98Very high43 Ų4344.2 Ų44.236%0.35524%0.235SC..  trans-84.6101160.100000107.4D165 R166 K167 E196D165-A194 WeakPolarHBondContact OD1-CA 3.49Å; R166-A194 HydrophobicContact CB-CB 4.41Å; K167-A194 HydrophobicContact CD-CB 4.14Å; K167-A194 HydrophobicContact CG-CB 3.9Å; A194-E196 PolarHBondContact O-N 3.29Å
195V97.1Very high98.1Very high24 Ų2438 Ų3815%0.14519%0.192CC..PPolyproline II helixtrans-81.6118.8-168.8-176.90000109.9D165 K167 E193 R202 A205D165-V195 PolarHBondContact OD1-N 2.89Å; D165-V195 WeakPolarHBondContact OD2-CB 3.27Å; D165-V195 PolarHBondContact OD2-N 3.47Å; D165-V195 VanDerWaalsContact OD2-N 3.1Å; K167-V195 VanDerWaalsContact CE-O 3.23Å; K167-V195 WeakPolarHBondContact CE-O 3.37Å; K167-V195 PolarHBondContact NZ-O 2.93Å; E193-V195 HydrophobicContact CB-CG2 4.15Å; E193-V195 PolarHBondContact O-N 2.97Å; V195-R202 HydrophobicContact CG1-CB 3.92Å; V195-A205 HydrophobicContact CG2-CB 4.23Å
196E96.1Very high98.1Very high26 Ų2637.5 Ų37.512%0.12119%0.189CC..PPolyproline II helixtrans-98.8142.2170-57.7-62.816600110.4K167 A194 H199 S201 L271K167-E196 IonicContact NZ-OE1 3.73Å; K167-E196 PolarHBondContact NZ-OE1 3.43Å; K167-E196 IonicContact NZ-OE2 3.99Å; K167-E196 PolarHBondContact NZ-OE2 2.71Å; A194-E196 PolarHBondContact O-N 3.29Å; E196-H199 HydrophobicContact CB-CB 3.75Å; E196-H199 WeakPolarHBondContact O-CB 3.35Å; E196-H199 PolarHBondContact O-N 3.26Å; E196-S201 PolarHBondContact N-OG 3.23Å; E196-L271 HydrophobicContact CB-CD1 4Å; E196-L271 HydrophobicContact CG-CD1 4.18Å; E196-L271 HydrophobicContact CG-CD2 3.92Å
197Y95Very high98.1Very high127 Ų12737.8 Ų37.850%0.49819%0.191SC..THydrogen-bonded Turntrans-62.3137.4-178.6178.1-102.4000111.1H199 L281 P282Y197-H199 PolarHBondContact O-N 3.09Å; Y197-L281 HydrophobicContact CD1-CD2 3.8Å; Y197-L281 HydrophobicContact CG-CD2 4.47Å; Y197-P282 WeakPolarHBondContact O-CD 3.19Å
198A96.3Very high98.1Very high5 Ų535.6 Ų35.64%0.04118%0.182CC..THydrogen-bonded Turntrans58.37.4-17600000115.6P282 Y332 S333A198-P282 HydrophobicContact CB-CG 4.28Å; A198-P282 WeakPolarHBondContact O-CG 3.36Å; A198-Y332 HydrophobicContact CB-CD1 4.18Å; A198-Y332 HydrophobicContact CB-CD2 4.32Å; A198-Y332 HydrophobicContact CB-CE1 3.73Å; A198-Y332 HydrophobicContact CB-CE2 3.88Å; A198-Y332 HydrophobicContact CB-CG 4.45Å; A198-S333 VanDerWaalsContact CB-OG 3.31Å; A198-S333 WeakPolarHBondContact CB-OG 3.32Å; A198-S333 WeakPolarHBondContact O-CA 3.22Å; A198-S333 PolarHBondContact O-N 3.45Å
199H97.8Very high98.1Very high45 Ų4534 Ų3421%0.20817%0.173CC..SBendtrans-97157.6-178.3-176.6-109.6000111.6E196 Y197 S201 R202 L271 P282E196-H199 HydrophobicContact CB-CB 3.75Å; E196-H199 WeakPolarHBondContact O-CB 3.35Å; E196-H199 PolarHBondContact O-N 3.26Å; Y197-H199 PolarHBondContact O-N 3.09Å; H199-S201 WeakPolarHBondContact ND1-CB 3.49Å; H199-S201 PolarHBondContact ND1-N 3.21Å; H199-S201 PolarHBondContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 3.43Å; H199-R202 PolarHBondContact O-N 3.22Å; H199-L271 HydrophobicContact CB-CD1 4.5Å; H199-P282 HydrophobicContact CB-CG 3.94Å
200I98.2Very high98.1Very high19 Ų1933.7 Ų33.710%0.09717%0.171CC..Hα-helixtrans-54-24.7178.6-167.571.5000114R202 L203 Q204 F325 K329 P334I200-R202 PolarHBondContact O-N 2.59Å; I200-R202 VanDerWaalsContact O-N 3.14Å; I200-L203 HydrophobicContact CD1-CB 4.2Å; I200-L203 HydrophobicContact CD1-CD2 3.72Å; I200-L203 HydrophobicContact CD1-CG 4.43Å; I200-L203 WeakPolarHBondContact O-CB 3.44Å; I200-L203 PolarHBondContact O-N 3.22Å; I200-Q204 PolarHBondContact O-N 3.24Å; I200-F325 HydrophobicContact CD1-CD2 4.49Å; I200-F325 HydrophobicContact CD1-CE2 3.87Å; I200-F325 HydrophobicContact CG1-CE2 4.14Å; I200-F325 HydrophobicContact CG1-CZ 4.32Å; I200-K329 HydrophobicContact CG1-CG 4.21Å; I200-P334 HydrophobicContact CB-CG 4.01Å; I200-P334 HydrophobicContact CD1-CB 3.67Å; I200-P334 HydrophobicContact CD1-CG 3.48Å; I200-P334 VanDerWaalsContact CD1-CG 3.48Å; I200-P334 HydrophobicContact CG1-CG 4.34Å
201S98.3Very high98.1Very high7 Ų731.5 Ų31.55%0.04916%0.156CC..Hα-helixtrans-54.4-31.1174.3480000113.5E196 H199 A205E196-S201 PolarHBondContact N-OG 3.23Å; H199-S201 WeakPolarHBondContact ND1-CB 3.49Å; H199-S201 PolarHBondContact ND1-N 3.21Å; H199-S201 PolarHBondContact ND1-OG 3.09Å; H199-S201 PolarHBondContact O-N 3.43Å; S201-A205 PolarHBondContact O-N 3.11Å
202R98.3Very high98.1Very high32 Ų3226 Ų2612%0.12113%0.133CC..Hα-helixtrans-67.4-43.8175.5176.159.5-168.6821.2111.2V195 H199 I200 D206 D335V195-R202 HydrophobicContact CG1-CB 3.92Å; H199-R202 PolarHBondContact O-N 3.22Å; I200-R202 PolarHBondContact O-N 2.59Å; I200-R202 VanDerWaalsContact O-N 3.14Å; R202-D206 IonicContact CZ-OD2 2.91Å; R202-D206 IonicContact NH1-OD1 3.18Å; R202-D206 IonicContact NH1-OD2 3.96Å; R202-D206 PolarHBondContact NH1-OD2 3.23Å; R202-D206 IonicContact NH2-OD2 2.64Å; R202-D206 PolarHBondContact NH2-OD2 3.07Å; R202-D335 HydrophobicContact CG-CB 4.29Å
203L98.4Very high98.1Very high0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-66.1-42.6175.6175.760.7000111.3I200 A205 D206 L207 F325 P334 F338 W339I200-L203 HydrophobicContact CD1-CB 4.2Å; I200-L203 HydrophobicContact CD1-CD2 3.72Å; I200-L203 HydrophobicContact CD1-CG 4.43Å; I200-L203 WeakPolarHBondContact O-CB 3.44Å; I200-L203 PolarHBondContact O-N 3.22Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.31Å; L203-D206 PolarHBondContact O-N 3.26Å; L203-L207 HydrophobicContact CD1-CD1 4.49Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 PolarHBondContact O-N 2.8Å; L203-L207 VanDerWaalsContact O-N 3.07Å; L203-F325 HydrophobicContact CD2-CD2 4.02Å; L203-F325 HydrophobicContact CD2-CE2 3.93Å; L203-F325 HydrophobicContact CG-CE2 4.26Å; L203-P334 HydrophobicContact CD2-CB 4.25Å; L203-F338 HydrophobicContact CD1-CB 4.34Å; L203-F338 HydrophobicContact CD1-CD1 3.68Å; L203-F338 HydrophobicContact CD1-CE1 4.24Å; L203-F338 HydrophobicContact CD1-CG 4.18Å; L203-F338 HydrophobicContact CD2-CB 3.67Å; L203-F338 HydrophobicContact CD2-CD1 3.71Å; L203-F338 HydrophobicContact CD2-CD2 3.81Å; L203-F338 HydrophobicContact CD2-CE1 4.24Å; L203-F338 HydrophobicContact CD2-CE2 4.36Å; L203-F338 HydrophobicContact CD2-CG 3.45Å; L203-F338 VanDerWaalsContact CD2-CG 3.45Å; L203-F338 HydrophobicContact CG-CD1 4.31Å; L203-F338 HydrophobicContact CG-CG 4.47Å; L203-W339 HydrophobicContact CD1-CD2 4.38Å; L203-W339 HydrophobicContact CD1-CH2 4.12Å; L203-W339 HydrophobicContact CD1-CZ2 3.26Å
204Q98.8Very high98.1Very high52 Ų5223.9 Ų23.924%0.24312%0.123CC..Hα-helixtrans-60.8-36.1178.7-174.464.167.400112.4E193 I200 D206 L207 N208E193-Q204 HydrophobicContact CG-CB 4.07Å; E193-Q204 HydrophobicContact CG-CG 3.8Å; E193-Q204 WeakPolarHBondContact OE1-CG 3.45Å; I200-Q204 PolarHBondContact O-N 3.24Å; Q204-D206 PolarHBondContact O-N 2.85Å; Q204-L207 PolarHBondContact O-N 3.17Å; Q204-N208 PolarHBondContact NE2-OD1 3.11Å; Q204-N208 PolarHBondContact O-N 3.3Å; Q204-N208 PolarHBondContact O-ND2 3.43Å; Q204-N208 PolarHBondContact O-OD1 2.7Å
205A98.8Very high98.1Very high0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-58.2-44.5175.500000112.7V138 H163 V195 S201 L203 N208 C209V138-A205 HydrophobicContact CG1-CB 3.92Å; V138-A205 HydrophobicContact CG2-CB 4.08Å; H163-A205 VanDerWaalsContact CE1-CB 3.46Å; H163-A205 WeakPolarHBondContact CE1-CB 3.35Å; H163-A205 WeakPolarHBondContact NE2-CB 3.5Å; V195-A205 HydrophobicContact CG2-CB 4.23Å; S201-A205 PolarHBondContact O-N 3.11Å; L203-A205 VanDerWaalsContact C-N 3.28Å; L203-A205 PolarHBondContact O-N 3.31Å; A205-N208 PolarHBondContact O-N 3.44Å; A205-C209 PolarHBondContact O-N 3.22Å
206D98.7Very high98.1Very high0 Ų029.1 Ų29.10%014%0.14CC..Hα-helixtrans-65.9-46.1174-89-40.5000111S136 V138 R202 L203 Q204 N208 C209 L210 N225 F305 W339S136-D206 PolarHBondContact OG-OD1 3.48Å; V138-D206 WeakPolarHBondContact CG2-OD1 3.34Å; R202-D206 IonicContact CZ-OD2 2.91Å; R202-D206 IonicContact NH1-OD1 3.18Å; R202-D206 IonicContact NH1-OD2 3.96Å; R202-D206 PolarHBondContact NH1-OD2 3.23Å; R202-D206 IonicContact NH2-OD2 2.64Å; R202-D206 PolarHBondContact NH2-OD2 3.07Å; L203-D206 PolarHBondContact O-N 3.26Å; Q204-D206 PolarHBondContact O-N 2.85Å; D206-N208 VanDerWaalsContact C-N 3.25Å; D206-N208 PolarHBondContact O-N 3.02Å; D206-C209 PolarHBondContact O-N 2.94Å; D206-C209 VanDerWaalsContact O-N 3.11Å; D206-L210 WeakPolarHBondContact O-CB 3.43Å; D206-L210 VanDerWaalsContact O-CG 3.25Å; D206-L210 WeakPolarHBondContact O-CG 3.14Å; D206-L210 PolarHBondContact O-N 3.25Å; D206-N225 WeakPolarHBondContact OD1-CB 3.29Å; D206-N225 PolarHBondContact OD2-ND2 2.94Å; D206-F305 HydrophobicContact CB-CE1 4.42Å; D206-F305 HydrophobicContact CB-CZ 4.32Å; D206-W339 HydrophobicContact CB-CZ2 4.25Å
207L98.8Very high98.1Very high13 Ų1333 Ų337%0.06817%0.17CC..Hα-helixtrans-58.1-37.1178.1-71.2169.2000112.5L203 Q204 L210 S211 I315 F316 F325 W339L203-L207 HydrophobicContact CD1-CD1 4.49Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 PolarHBondContact O-N 2.8Å; L203-L207 VanDerWaalsContact O-N 3.07Å; Q204-L207 PolarHBondContact O-N 3.17Å; L207-L210 PolarHBondContact O-N 2.87Å; L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.45Å; L207-I315 HydrophobicContact CD2-CD1 4.19Å; L207-F316 HydrophobicContact CB-CZ 4.46Å; L207-F316 HydrophobicContact CD2-CE1 4.37Å; L207-F316 HydrophobicContact CD2-CZ 4.03Å; L207-F316 WeakPolarHBondContact O-CZ 3.06Å; L207-F325 HydrophobicContact CD1-CD2 3.7Å; L207-F325 HydrophobicContact CD1-CE2 3.34Å; L207-F325 HydrophobicContact CD1-CG 4.49Å; L207-F325 HydrophobicContact CD1-CZ 3.88Å; L207-W339 HydrophobicContact CD2-CH2 3.74Å; L207-W339 HydrophobicContact CG-CH2 4.3Å
208N98.9Very high98.2Very high10 Ų1028.6 Ų28.65%0.05316%0.156CC..Hα-helixtrans-62.1-48.1175.6-70.1-15.7000110.9K191 E193 Q204 A205 D206 S211 D212K191-N208 HydrophobicContact CB-CB 4.22Å; K191-N208 WeakPolarHBondContact O-CB 3.32Å; K191-N208 PolarHBondContact O-ND2 3.45Å; K191-N208 VanDerWaalsContact O-ND2 3.08Å; E193-N208 PolarHBondContact OE1-ND2 2.93Å; Q204-N208 PolarHBondContact NE2-OD1 3.11Å; Q204-N208 PolarHBondContact O-N 3.3Å; Q204-N208 PolarHBondContact O-ND2 3.43Å; Q204-N208 PolarHBondContact O-OD1 2.7Å; A205-N208 PolarHBondContact O-N 3.44Å; D206-N208 VanDerWaalsContact C-N 3.25Å; D206-N208 PolarHBondContact O-N 3.02Å; N208-S211 PolarHBondContact O-N 3.12Å; N208-D212 PolarHBondContact O-N 2.98Å
209C98.9Very high98.3Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-64.3-43.9176.1-94.70000112.9S136 C161 A205 D206 S211 D212 L213S136-C209 VanDerWaalsContact OG-CB 3.25Å; S136-C209 WeakPolarHBondContact OG-CB 3.49Å; C161-C209 VanDerWaalsContact C-SG 3.6Å; C161-C209 HydrophobicContact CB-CB 3.67Å; C161-C209 WeakPolarHBondContact CB-SG 3.39Å; C161-C209 WeakPolarHBondContact SG-CA 3.25Å; C161-C209 WeakPolarHBondContact SG-CB 3.48Å; C161-C209 CovalentContact SG-SG 2.04Å; C161-C209 PolarHBondContact SG-SG 3.16Å; A205-C209 PolarHBondContact O-N 3.22Å; D206-C209 PolarHBondContact O-N 2.94Å; D206-C209 VanDerWaalsContact O-N 3.11Å; C209-S211 VanDerWaalsContact C-N 3.28Å; C209-S211 PolarHBondContact O-N 3.42Å; C209-D212 PolarHBondContact O-N 2.84Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 VanDerWaalsContact O-CG 3.24Å; C209-L213 WeakPolarHBondContact O-CG 3.16Å; C209-L213 PolarHBondContact O-N 3.43Å
210L98.9Very high98.3Very high0 Ų031.9 Ų31.90%017%0.171CC..Hα-helixtrans-59.1-40.6177.5-68.3-179000112D206 L207 L213 L214 V223 F305 V312 I315 F316 W339D206-L210 WeakPolarHBondContact O-CB 3.43Å; D206-L210 VanDerWaalsContact O-CG 3.25Å; D206-L210 WeakPolarHBondContact O-CG 3.14Å; D206-L210 PolarHBondContact O-N 3.25Å; L207-L210 PolarHBondContact O-N 2.87Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.97Å; L210-V223 HydrophobicContact CD2-CB 4.14Å; L210-V223 HydrophobicContact CD2-CG1 3.59Å; L210-V223 HydrophobicContact CD2-CG2 3.65Å; L210-F305 HydrophobicContact CD1-CZ 4.06Å; L210-F305 HydrophobicContact CD2-CE2 4.34Å; L210-F305 HydrophobicContact CD2-CZ 4.45Å; L210-V312 HydrophobicContact CB-CG1 3.96Å; L210-V312 HydrophobicContact CD2-CG1 4.24Å; L210-V312 HydrophobicContact CD2-CG2 4.33Å; L210-V312 HydrophobicContact CG-CG1 4.47Å; L210-I315 HydrophobicContact CD1-CD1 4.4Å; L210-F316 HydrophobicContact CB-CE2 3.84Å; L210-F316 HydrophobicContact CB-CZ 4.02Å; L210-W339 HydrophobicContact CD1-CH2 3.67Å; L210-W339 HydrophobicContact CD1-CZ2 4.34Å; L210-W339 HydrophobicContact CD1-CZ3 4.38Å
211S98.6Very high98.3Very high38 Ų3835.4 Ų35.427%0.26619%0.185SC..Hα-helixtrans-62.3-41.7176.5-171.60000112.1L207 N208 C209L207-S211 WeakPolarHBondContact O-CB 3.25Å; L207-S211 PolarHBondContact O-N 3.45Å; N208-S211 PolarHBondContact O-N 3.12Å; C209-S211 VanDerWaalsContact C-N 3.28Å; C209-S211 PolarHBondContact O-N 3.42Å
212D98.8Very high98.4Very high16 Ų1635.5 Ų35.59%0.08618%0.184CC..Hα-helixtrans-75.7-36.8-179.9-69.6-23.9000112.7F187 S190 N208 C209 L214 K215F187-D212 HydrophobicContact CE2-CB 3.55Å; F187-D212 HydrophobicContact CZ-CB 3.96Å; S190-D212 WeakPolarHBondContact CB-OD2 3.49Å; S190-D212 PolarHBondContact N-OD2 2.92Å; S190-D212 PolarHBondContact OG-OD1 2.79Å; S190-D212 PolarHBondContact OG-OD2 3.18Å; N208-D212 PolarHBondContact O-N 2.98Å; C209-D212 PolarHBondContact O-N 2.84Å; D212-L214 PolarHBondContact O-N 2.9Å; D212-K215 WeakPolarHBondContact O-CB 3.35Å; D212-K215 PolarHBondContact O-N 3.12Å; D212-K215 IonicContact OD1-NZ 2.68Å; D212-K215 PolarHBondContact OD1-NZ 3.27Å
213L98.9Very high98.4Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-58.2-34.9173.4-75.6169.7000112.1A134 I159 C161 F187 C209 L210 K215 S216 W220 V223A134-L213 HydrophobicContact CB-CD1 4.06Å; A134-L213 HydrophobicContact CB-CD2 3.95Å; A134-L213 HydrophobicContact CB-CG 4.48Å; I159-L213 HydrophobicContact CB-CD2 4.44Å; I159-L213 HydrophobicContact CD1-CD2 4.39Å; I159-L213 HydrophobicContact CG1-CD2 4Å; I159-L213 HydrophobicContact CG2-CD2 3.77Å; C161-L213 HydrophobicContact CB-CD1 4.24Å; C161-L213 HydrophobicContact CB-CD2 4.08Å; C161-L213 HydrophobicContact CB-CG 3.96Å; F187-L213 HydrophobicContact CE1-CD2 4Å; F187-L213 HydrophobicContact CZ-CD2 3.93Å; F187-L213 HydrophobicContact CZ-CG 4.22Å; C209-L213 WeakPolarHBondContact O-CB 3.42Å; C209-L213 VanDerWaalsContact O-CG 3.24Å; C209-L213 WeakPolarHBondContact O-CG 3.16Å; C209-L213 PolarHBondContact O-N 3.43Å; L210-L213 HydrophobicContact CD2-CD1 4.47Å; L213-K215 VanDerWaalsContact C-N 3.26Å; L213-K215 PolarHBondContact O-N 2.97Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L213-W220 HydrophobicContact CB-CZ2 4.07Å; L213-W220 PolarHBondContact O-NE1 3.41Å; L213-V223 HydrophobicContact CD1-CG2 3.7Å
214L98.4Very high98.4Very high45 Ų4534 Ų3424%0.23618%0.179CC..THydrogen-bonded Turntrans-67.3-22.3175.2-75.4-179.5000114.1L210 D212 S216 W220 Q309 V312 K313 F316L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 2.97Å; D212-L214 PolarHBondContact O-N 2.9Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-W220 HydrophobicContact CD2-CH2 4.08Å; L214-W220 HydrophobicContact CD2-CZ2 3.73Å; L214-W220 HydrophobicContact CG-CZ2 4.33Å; L214-Q309 HydrophobicContact CD2-CG 4.24Å; L214-V312 HydrophobicContact CD1-CG1 3.96Å; L214-V312 HydrophobicContact CD2-CB 4.43Å; L214-V312 HydrophobicContact CD2-CG1 4.11Å; L214-V312 HydrophobicContact CG-CG1 3.95Å; L214-K313 HydrophobicContact CD1-CG 4.4Å; L214-K313 HydrophobicContact CD2-CD 4.42Å; L214-K313 HydrophobicContact CD2-CG 3.46Å; L214-K313 VanDerWaalsContact CD2-CG 3.46Å; L214-F316 HydrophobicContact CD1-CD2 3.56Å; L214-F316 HydrophobicContact CD1-CE2 4.12Å; L214-F316 HydrophobicContact CD1-CG 4.42Å
215K97.9Very high98.4Very high146 Ų14631.6 Ų31.664%0.63517%0.168SC*.THydrogen-bonded Turntrans-84.2-11.5178.6-59.7168.9-165.71590112.4D212 L213D212-K215 WeakPolarHBondContact O-CB 3.35Å; D212-K215 PolarHBondContact O-N 3.12Å; D212-K215 IonicContact OD1-NZ 2.68Å; D212-K215 PolarHBondContact OD1-NZ 3.27Å; L213-K215 VanDerWaalsContact C-N 3.26Å; L213-K215 PolarHBondContact O-N 2.97Å
216S96.9Very high98.4Very high31 Ų3131.6 Ų31.622%0.21717%0.168CC..SBendtrans-66.3147.9179.2-179.80000112.4I159 L213 L214 V218I159-S216 WeakPolarHBondContact CD1-OG 3.44Å; L213-S216 WeakPolarHBondContact O-CB 3.34Å; L213-S216 PolarHBondContact O-N 3.07Å; L214-S216 VanDerWaalsContact C-N 3.32Å; S216-V218 PolarHBondContact O-N 3.14Å; S216-V218 WeakPolarHBondContact OG-CB 3.46Å; S216-V218 PolarHBondContact OG-N 3.24Å
217S96.6Very high98.4Very high107 Ų10732.6 Ų32.675%0.74818%0.175SC*.SBendtrans-70-20.3169.257.50000113.1Q219S217-Q219 PolarHBondContact O-N 3.05Å; S217-Q219 PolarHBondContact O-NE2 3.34Å; S217-Q219 VanDerWaalsContact O-NE2 3.08Å
218V97.8Very high98.3Very high34 Ų3432.6 Ų32.621%0.20618%0.178CC..SBendtrans-66.4120.9179.3-179.80000109.7P132 H157 I159 S216 W220P132-V218 HydrophobicContact CB-CG1 3.83Å; P132-V218 HydrophobicContact CG-CG1 4.37Å; H157-V218 WeakPolarHBondContact O-CG1 3.42Å; I159-V218 HydrophobicContact CB-CB 4.39Å; I159-V218 HydrophobicContact CB-CG1 4.43Å; I159-V218 HydrophobicContact CB-CG2 4.36Å; I159-V218 HydrophobicContact CD1-CB 4.41Å; I159-V218 HydrophobicContact CD1-CG2 4.19Å; I159-V218 HydrophobicContact CG2-CB 4.4Å; I159-V218 HydrophobicContact CG2-CG1 4.31Å; S216-V218 PolarHBondContact O-N 3.14Å; S216-V218 WeakPolarHBondContact OG-CB 3.46Å; S216-V218 PolarHBondContact OG-N 3.24Å; V218-W220 HydrophobicContact CG1-CB 4.36Å; V218-W220 PolarHBondContact O-N 3.09Å
219Q96.8Very high98.3Very high119 Ų11933.5 Ų33.556%0.55618%0.182SC*.  trans-82.358-179.8-59.8-58-52.800112S217S217-Q219 PolarHBondContact O-N 3.05Å; S217-Q219 PolarHBondContact O-NE2 3.34Å; S217-Q219 VanDerWaalsContact O-NE2 3.08Å
220W98.8Very high98.3Very high1 Ų133.5 Ų33.50%0.00418%0.182CC..  trans-63.8149.5-179.657-97.5000112.8P132 A134 I159 L213 L214 V218 V223 Q309 V312P132-W220 HydrophobicContact CB-CB 4.29Å; P132-W220 CarbonylContact O-C 3.59Å; P132-W220 VanDerWaalsContact O-CA 3.28Å; P132-W220 WeakPolarHBondContact O-CA 3.17Å; A134-W220 HydrophobicContact CB-CB 4.02Å; A134-W220 HydrophobicContact CB-CD2 3.63Å; A134-W220 HydrophobicContact CB-CE3 3.94Å; A134-W220 HydrophobicContact CB-CG 3.66Å; I159-W220 HydrophobicContact CG2-CB 4.4Å; I159-W220 HydrophobicContact CG2-CG 4.24Å; L213-W220 HydrophobicContact CB-CZ2 4.07Å; L213-W220 PolarHBondContact O-NE1 3.41Å; L214-W220 HydrophobicContact CD2-CH2 4.08Å; L214-W220 HydrophobicContact CD2-CZ2 3.73Å; L214-W220 HydrophobicContact CG-CZ2 4.33Å; V218-W220 HydrophobicContact CG1-CB 4.36Å; V218-W220 PolarHBondContact O-N 3.09Å; W220-V223 HydrophobicContact CE3-CB 4.5Å; W220-V223 HydrophobicContact CH2-CB 4.35Å; W220-V223 HydrophobicContact CH2-CG1 4.48Å; W220-V223 HydrophobicContact CZ3-CB 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 4.25Å; W220-Q309 HydrophobicContact CD2-CB 4.38Å; W220-Q309 HydrophobicContact CD2-CG 4.16Å; W220-Q309 HydrophobicContact CE3-CB 3.67Å; W220-Q309 HydrophobicContact CE3-CG 3.89Å; W220-Q309 HydrophobicContact CH2-CB 3.87Å; W220-Q309 HydrophobicContact CH2-CG 3.6Å; W220-Q309 HydrophobicContact CZ2-CG 3.85Å; W220-Q309 HydrophobicContact CZ3-CB 3.38Å; W220-Q309 HydrophobicContact CZ3-CG 3.62Å; W220-Q309 VanDerWaalsContact O-CD 3.27Å; W220-Q309 PolarHBondContact O-NE2 3.41Å; W220-Q309 VanDerWaalsContact O-NE2 3.07Å; W220-V312 HydrophobicContact CH2-CB 4.04Å; W220-V312 HydrophobicContact CH2-CG1 4.25Å; W220-V312 HydrophobicContact CH2-CG2 4.1Å
221K98.8Very high98.3Very high92 Ų9233.6 Ų33.640%0.418%0.182SC..SBendtrans-98.3-44.1-172.5-56.3-54.9-177.8-172.50112.4F131 P132 Q309F131-K221 HydrophobicContact CD1-CB 4.26Å; F131-K221 HydrophobicContact CD1-CG 4.25Å; F131-K221 HydrophobicContact CD2-CB 4.31Å; F131-K221 HydrophobicContact CD2-CG 3.78Å; F131-K221 HydrophobicContact CE1-CB 3.86Å; F131-K221 HydrophobicContact CE1-CG 4.3Å; F131-K221 HydrophobicContact CE2-CB 3.93Å; F131-K221 HydrophobicContact CE2-CG 3.83Å; F131-K221 HydrophobicContact CG-CB 4.47Å; F131-K221 HydrophobicContact CG-CG 4.01Å; F131-K221 HydrophobicContact CZ-CB 3.71Å; F131-K221 HydrophobicContact CZ-CG 4.12Å; P132-K221 PolarHBondContact O-N 3.01Å; K221-Q309 PolarHBondContact O-N 3.26Å
222Y98.9Very high98.3Very high9 Ų932 Ų324%0.03517%0.171CC..EExtended strand (participates in β ladder)trans-132150.4178.3-74.2-87.2000110.5F131 A134 L243 L246 G248 A249 V306 L307F131-Y222 AromaticContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CD2 3.89Å; F131-Y222 HydrophobicContact CE1-CE2 4.41Å; F131-Y222 AromaticContact CZ-CD2 3.66Å; F131-Y222 HydrophobicContact CZ-CD2 3.66Å; F131-Y222 AromaticContact CZ-CE2 3.74Å; F131-Y222 HydrophobicContact CZ-CE2 3.74Å; A134-Y222 PolarHBondContact N-O 3.43Å; Y222-L243 HydrophobicContact CD2-CB 4.12Å; Y222-L243 HydrophobicContact CE2-CB 4.44Å; Y222-L243 WeakPolarHBondContact CE2-O 3.49Å; Y222-L243 HydrophobicContact CG-CD2 4.36Å; Y222-L246 HydrophobicContact CD1-CD1 4.34Å; Y222-L246 HydrophobicContact CE1-CB 4.4Å; Y222-L246 HydrophobicContact CE1-CD1 3.84Å; Y222-L246 VanDerWaalsContact OH-CB 3.25Å; Y222-L246 WeakPolarHBondContact OH-CB 3.45Å; Y222-G248 WeakPolarHBondContact OH-CA 3.41Å; Y222-G248 PolarHBondContact OH-N 2.98Å; Y222-A249 VanDerWaalsContact CE1-O 3.24Å; Y222-A249 WeakPolarHBondContact CE1-O 3.48Å; Y222-A249 PolarHBondContact OH-O 3.43Å; Y222-V306 HydrophobicContact CD1-CG1 3.71Å; Y222-V306 HydrophobicContact CG-CG1 4.2Å; Y222-L307 CarbonylContact C-O 3.51Å; Y222-L307 VanDerWaalsContact CA-O 3.27Å; Y222-L307 WeakPolarHBondContact CA-O 3.21Å; Y222-L307 WeakPolarHBondContact CD1-O 3.46Å
223V98.9Very high98.3Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-110.1138.8166.663.60000110.3A134 L210 L213 W220 F305 V306 L307 V312A134-V223 HydrophobicContact CB-CB 4.04Å; A134-V223 HydrophobicContact CB-CG2 4.04Å; A134-V223 CarbonylContact O-C 3.56Å; A134-V223 VanDerWaalsContact O-CA 3.23Å; A134-V223 WeakPolarHBondContact O-CA 3.41Å; L210-V223 HydrophobicContact CD2-CB 4.14Å; L210-V223 HydrophobicContact CD2-CG1 3.59Å; L210-V223 HydrophobicContact CD2-CG2 3.65Å; L213-V223 HydrophobicContact CD1-CG2 3.7Å; W220-V223 HydrophobicContact CE3-CB 4.5Å; W220-V223 HydrophobicContact CH2-CB 4.35Å; W220-V223 HydrophobicContact CH2-CG1 4.48Å; W220-V223 HydrophobicContact CZ3-CB 3.97Å; W220-V223 HydrophobicContact CZ3-CG1 4.25Å; V223-F305 HydrophobicContact CG1-CE2 4.25Å; V223-V306 WeakPolarHBondContact O-CA 3.26Å; V223-L307 HydrophobicContact CG1-CB 3.9Å; V223-L307 PolarHBondContact N-O 3.31Å; V223-L307 PolarHBondContact O-N 3.31Å; V223-V312 HydrophobicContact CG1-CG2 3.66Å
224I98.9Very high98.2Very high2 Ų232.8 Ų32.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-119.8124175.5-47.1-172.1000107.6I133 A134 Y135 S136 L226 L239 L243 V306 F408I133-I224 HydrophobicContact CG2-CD1 3.99Å; I133-I224 HydrophobicContact CG2-CG1 3.99Å; A134-I224 PolarHBondContact O-N 2.83Å; Y135-I224 WeakPolarHBondContact CA-O 3.3Å; Y135-I224 HydrophobicContact CD1-CB 3.95Å; Y135-I224 HydrophobicContact CE1-CB 3.99Å; Y135-I224 HydrophobicContact CE1-CD1 3.98Å; Y135-I224 HydrophobicContact CE1-CG1 4.28Å; S136-I224 PolarHBondContact N-O 2.88Å; I224-L226 HydrophobicContact CG2-CD2 4.1Å; I224-L226 HydrophobicContact CG2-CG 4.43Å; I224-L239 HydrophobicContact CD1-CD1 4.24Å; I224-L239 HydrophobicContact CD1-CD2 3.88Å; I224-L239 HydrophobicContact CD1-CG 4.45Å; I224-L243 HydrophobicContact CD1-CD1 4.34Å; I224-V306 HydrophobicContact CB-CG2 4.36Å; I224-V306 HydrophobicContact CD1-CG2 4.24Å; I224-V306 HydrophobicContact CG1-CG2 3.89Å; I224-V306 HydrophobicContact CG2-CG2 4.07Å; I224-F408 HydrophobicContact CD1-CE2 3.84Å; I224-F408 HydrophobicContact CD1-CZ 4.33Å; I224-F408 HydrophobicContact CG2-CD2 4.26Å; I224-F408 HydrophobicContact CG2-CE2 3.86Å; I224-F408 HydrophobicContact CG2-CZ 4.4Å
225N98.9Very high98.2Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-89145.8170.977-29.2000111.5S136 D206 A303 Y304 F305 R367S136-N225 CarbonylContact O-C 3.34Å; S136-N225 VanDerWaalsContact O-CA 3.26Å; S136-N225 WeakPolarHBondContact O-CA 3.21Å; D206-N225 WeakPolarHBondContact OD1-CB 3.29Å; D206-N225 PolarHBondContact OD2-ND2 2.94Å; N225-A303 PolarHBondContact ND2-O 2.68Å; N225-Y304 VanDerWaalsContact OD1-CA 3.28Å; N225-Y304 WeakPolarHBondContact OD1-CA 3.46Å; N225-F305 HydrophobicContact CB-CD2 4.29Å; N225-F305 HydrophobicContact CB-CE1 3.98Å; N225-F305 HydrophobicContact CB-CE2 3.7Å; N225-F305 HydrophobicContact CB-CZ 3.53Å; N225-F305 VanDerWaalsContact CG-CE1 3.48Å; N225-F305 PolarHBondContact N-O 3.24Å; N225-F305 VanDerWaalsContact ND2-CE1 3.3Å; N225-F305 WeakPolarHBondContact ND2-CE1 3.38Å; N225-F305 PolarHBondContact OD1-N 3.06Å; N225-F305 PolarHBondContact OD1-O 2.91Å; N225-R367 PolarHBondContact O-NH2 2.73Å
226L98.9Very high98.2Very high0 Ų024.8 Ų24.80%014%0.138CC..EExtended strand (participates in β ladder)trans-141.3153.9-175.6-60.2176.1000109.1Y135 S136 L137 V138 L149 I153 I224 D230 F408Y135-L226 HydrophobicContact CD1-CD1 3.63Å; Y135-L226 HydrophobicContact CD1-CG 4.29Å; Y135-L226 HydrophobicContact CE1-CD1 4.09Å; S136-L226 PolarHBondContact O-N 3.41Å; L137-L226 WeakPolarHBondContact CA-O 3.49Å; L137-L226 HydrophobicContact CD2-CB 3.84Å; L137-L226 HydrophobicContact CD2-CD1 3.99Å; V138-L226 PolarHBondContact N-O 2.98Å; L149-L226 HydrophobicContact CD1-CD1 4.28Å; L149-L226 HydrophobicContact CD2-CB 4.37Å; L149-L226 HydrophobicContact CD2-CD1 4.29Å; I153-L226 HydrophobicContact CD1-CD1 3.59Å; I224-L226 HydrophobicContact CG2-CD2 4.1Å; I224-L226 HydrophobicContact CG2-CG 4.43Å; L226-D230 WeakPolarHBondContact CA-OD2 3.33Å; L226-D230 HydrophobicContact CD2-CB 4.22Å; L226-F408 HydrophobicContact CD1-CE1 4.05Å; L226-F408 HydrophobicContact CD2-CD1 3.52Å; L226-F408 HydrophobicContact CD2-CD2 4.31Å; L226-F408 HydrophobicContact CD2-CE1 3.68Å; L226-F408 HydrophobicContact CD2-CE2 4.46Å; L226-F408 HydrophobicContact CD2-CG 3.9Å; L226-F408 HydrophobicContact CD2-CZ 4.17Å
227C98Very high98.2Very high22 Ų2224.3 Ų24.315%0.14913%0.132CC..EExtended strand (participates in β ladder)trans-113.6167.8166.475.60000110.7V138 Q229 D230 N410V138-C227 WeakPolarHBondContact O-CA 3.37Å; C227-Q229 PolarHBondContact O-N 3.4Å; C227-D230 PolarHBondContact N-OD2 2.73Å; C227-D230 WeakPolarHBondContact O-CB 3.43Å; C227-D230 PolarHBondContact O-N 2.73Å; C227-D230 VanDerWaalsContact SG-CG 3.54Å; C227-D230 PolarHBondContact SG-OD2 3.01Å; C227-N410 PolarHBondContact SG-ND2 2.69Å; C227-N410 VanDerWaalsContact SG-ND2 3.41Å
228G97.3Very high98.3Very high13 Ų1320.6 Ų20.613%0.13410%0.103CC..THydrogen-bonded Turntrans-65.7-4.6-174.800000116.2
229Q97.8Very high98.3Very high28 Ų2819.2 Ų19.213%0.1319%0.094CC..THydrogen-bonded Turntrans-115.512.3176.7-60.4-167.9-82.800112.7C227 K411 F412C227-Q229 PolarHBondContact O-N 3.4Å; Q229-K411 HydrophobicContact CB-CB 4.29Å; Q229-K411 HydrophobicContact CB-CG 4.34Å; Q229-K411 WeakPolarHBondContact O-CA 3.46Å; Q229-F412 PolarHBondContact NE2-O 2.92Å; Q229-F412 PolarHBondContact O-N 3.43Å
230D98.8Very high98.4Very high1 Ų113.6 Ų13.61%0.0057%0.068CC..EExtended strand (participates in β ladder)trans-84.2155.3170.5-69.8-38.1000111.2L149 L226 C227 R367 A409 N410L149-D230 WeakPolarHBondContact CD1-O 3.28Å; L226-D230 WeakPolarHBondContact CA-OD2 3.33Å; L226-D230 HydrophobicContact CD2-CB 4.22Å; C227-D230 PolarHBondContact N-OD2 2.73Å; C227-D230 WeakPolarHBondContact O-CB 3.43Å; C227-D230 PolarHBondContact O-N 2.73Å; C227-D230 VanDerWaalsContact SG-CG 3.54Å; C227-D230 PolarHBondContact SG-OD2 3.01Å; D230-R367 VanDerWaalsContact CB-NH1 3.31Å; D230-R367 WeakPolarHBondContact OD1-CD 3.4Å; D230-R367 IonicContact OD1-CZ 3.24Å; D230-R367 IonicContact OD1-NE 3.47Å; D230-R367 PolarHBondContact OD1-NE 2.87Å; D230-R367 IonicContact OD1-NH1 2.7Å; D230-R367 PolarHBondContact OD1-NH1 3.47Å; D230-R367 IonicContact OD2-CZ 2.83Å; D230-R367 IonicContact OD2-NE 3.66Å; D230-R367 IonicContact OD2-NH1 3.41Å; D230-R367 PolarHBondContact OD2-NH1 2.88Å; D230-R367 IonicContact OD2-NH2 2.7Å; D230-R367 PolarHBondContact OD2-NH2 3.19Å; D230-A409 WeakPolarHBondContact CA-O 3.34Å; D230-N410 VanDerWaalsContact OD1-CB 3.27Å; D230-N410 WeakPolarHBondContact OD1-CB 3.43Å; D230-N410 PolarHBondContact OD1-ND2 3.15Å
231F98.8Very high98.4Very high1 Ų115.4 Ų15.40%0.0048%0.081CC..EExtended strand (participates in β ladder)trans-144.8145.2169.5-144-97.5000110.5R148 A152 F408 A409 F412 I421 L424 A425R148-F231 HydrophobicContact CB-CE2 4.35Å; A152-F231 HydrophobicContact CB-CE1 4.03Å; A152-F231 HydrophobicContact CB-CE2 4.27Å; A152-F231 HydrophobicContact CB-CZ 3.72Å; F231-F408 WeakPolarHBondContact O-CA 3.48Å; F231-A409 PolarHBondContact N-O 3.01Å; F231-A409 PolarHBondContact O-N 2.93Å; F231-F412 HydrophobicContact CB-CD1 4.26Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.24Å; F231-F412 HydrophobicContact CB-CE2 3.35Å; F231-F412 HydrophobicContact CB-CG 3.84Å; F231-F412 HydrophobicContact CB-CZ 3.82Å; F231-I421 HydrophobicContact CD2-CG2 4.38Å; F231-I421 HydrophobicContact CE2-CG2 3.79Å; F231-I421 HydrophobicContact CZ-CG2 3.98Å; F231-L424 HydrophobicContact CB-CD2 4.3Å; F231-L424 HydrophobicContact CD1-CB 4.33Å; F231-L424 HydrophobicContact CD1-CD2 3.49Å; F231-L424 VanDerWaalsContact CD1-CD2 3.49Å; F231-L424 HydrophobicContact CD1-CG 3.78Å; F231-L424 HydrophobicContact CE1-CB 4.3Å; F231-L424 HydrophobicContact CE1-CD2 4.26Å; F231-L424 HydrophobicContact CE1-CG 4.09Å; F231-L424 HydrophobicContact CG-CD2 4.27Å; F231-A425 HydrophobicContact CE1-CB 4.23Å; F231-A425 HydrophobicContact CZ-CB 4.12Å
232P98.7Very high98.3Very high5 Ų512.6 Ų12.63%0.0327%0.069CC..EExtended strand (participates in β ladder)trans-64.2151.6176.725.2-35.1000112.5A152 I153 F408 L424 L428A152-P232 HydrophobicContact CB-CG 3.73Å; I153-P232 HydrophobicContact CG2-CB 4.26Å; I153-P232 HydrophobicContact CG2-CG 3.91Å; P232-F408 VanDerWaalsContact CA-CD1 3.47Å; P232-F408 HydrophobicContact CB-CD1 4.05Å; P232-F408 HydrophobicContact CB-CE1 3.78Å; P232-F408 HydrophobicContact CB-CZ 4.47Å; P232-L424 WeakPolarHBondContact O-CD2 3.42Å; P232-L428 HydrophobicContact CB-CD1 3.94Å; P232-L428 HydrophobicContact CG-CD1 3.67Å; P232-L428 WeakPolarHBondContact O-CD1 3.49Å
233L98.7Very high98.3Very high0 Ų012.1 Ų12.10%07%0.068CC..SBendtrans-118.20.9172-62.8-179.4000112.5L368 L401 H406 W407 A409 L424L233-L368 HydrophobicContact CD1-CB 4.29Å; L233-L368 HydrophobicContact CD1-CD2 4.19Å; L233-L401 HydrophobicContact CD2-CB 3.81Å; L233-L401 HydrophobicContact CD2-CD2 4.42Å; L233-H406 WeakPolarHBondContact CB-O 3.24Å; L233-H406 HydrophobicContact CD1-CB 4.07Å; L233-W407 PolarHBondContact N-O 3.46Å; L233-A409 HydrophobicContact CD1-CB 3.77Å; L233-A409 HydrophobicContact CD2-CB 4.01Å; L233-A409 HydrophobicContact CG-CB 3.99Å; L233-L424 HydrophobicContact CD2-CD1 4.3Å; L233-L424 HydrophobicContact CD2-CD2 4.1Å
234K98.3Very high98.3Very high33 Ų3316.5 Ų16.514%0.1439%0.086CC..SBendtrans-133.4140.6-179.5-63.7-62.2172.3-160.20109.9E238 L239 I402K234-E238 HydrophobicContact CB-CB 4.09Å; K234-E238 HydrophobicContact CD-CB 4.19Å; K234-L239 HydrophobicContact CB-CB 4.34Å; K234-I402 PolarHBondContact NZ-O 2.7Å
235S97.7Very high98.3Very high4 Ų423 Ų233%0.02812%0.115CC..  trans-60.5159.1166.862.50000109.8F237 E238 L239S235-F237 PolarHBondContact O-N 3.23Å; S235-E238 WeakPolarHBondContact CB-OE2 3.23Å; S235-E238 PolarHBondContact N-OE2 3.43Å; S235-E238 VanDerWaalsContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 3.45Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 3.37Å; S235-E238 PolarHBondContact OG-OE2 2.88Å; S235-L239 WeakPolarHBondContact O-CB 3.28Å; S235-L239 PolarHBondContact O-N 3.08Å
236N97.9Very high98.2Very high18 Ų1824.2 Ų24.210%0.09612%0.121CC..Hα-helixtrans-63-34.4179.8-173.187.8000111.3E128 N155 N158 L239 V240E128-N236 WeakPolarHBondContact CG-ND2 3.34Å; E128-N236 WeakPolarHBondContact OE1-CB 3.48Å; E128-N236 PolarHBondContact OE1-ND2 3.4Å; N155-N236 VanDerWaalsContact ND2-CB 3.31Å; N155-N236 WeakPolarHBondContact ND2-CB 3.38Å; N155-N236 PolarHBondContact ND2-ND2 3.01Å; N155-N236 VanDerWaalsContact ND2-ND2 3.17Å; N155-N236 PolarHBondContact ND2-OD1 2.88Å; N158-N236 PolarHBondContact ND2-OD1 2.86Å; N236-L239 PolarHBondContact O-N 2.86Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 WeakPolarHBondContact O-CG2 3.42Å; N236-V240 PolarHBondContact O-N 2.89Å
237F97.7Very high98.1Very high21 Ų2131.5 Ų31.59%0.09216%0.16CC..Hα-helixtrans-58.8-51.3173.3-175.9-83000112E128 S235 L239 V240 S241 W435 I436E128-F237 PolarHBondContact OE1-N 2.73Å; E128-F237 VanDerWaalsContact OE1-N 3.14Å; S235-F237 PolarHBondContact O-N 3.23Å; F237-L239 PolarHBondContact O-N 3.19Å; F237-V240 PolarHBondContact O-N 3.38Å; F237-S241 PolarHBondContact O-N 2.88Å; F237-W435 HydrophobicContact CB-CB 4.16Å; F237-W435 HydrophobicContact CD1-CB 3.44Å; F237-W435 VanDerWaalsContact CD1-CB 3.44Å; F237-W435 HydrophobicContact CD1-CD2 4.1Å; F237-W435 HydrophobicContact CD1-CE3 4.5Å; F237-W435 AromaticContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD2-CB 4.32Å; F237-W435 HydrophobicContact CE1-CB 3.85Å; F237-W435 HydrophobicContact CE1-CD2 4.11Å; F237-W435 HydrophobicContact CE1-CE3 4.05Å; F237-W435 HydrophobicContact CE1-CG 4.05Å; F237-W435 HydrophobicContact CG-CB 3.7Å; F237-W435 HydrophobicContact CG-CG 4.31Å; F237-W435 HydrophobicContact CZ-CB 4.45Å; F237-I436 HydrophobicContact CD2-CG1 4.45Å
238E97.8Very high98.1Very high30 Ų3032.1 Ų32.114%0.1417%0.17CC..Hα-helixtrans-63.7-42.3177.9-73.7170.7107.500111.9K234 S235 V240 S241 E242 Q431 W435K234-E238 HydrophobicContact CB-CB 4.09Å; K234-E238 HydrophobicContact CD-CB 4.19Å; S235-E238 WeakPolarHBondContact CB-OE2 3.23Å; S235-E238 PolarHBondContact N-OE2 3.43Å; S235-E238 VanDerWaalsContact N-OE2 3.11Å; S235-E238 PolarHBondContact O-N 3.45Å; S235-E238 VanDerWaalsContact OG-CG 3.31Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 3.37Å; S235-E238 PolarHBondContact OG-OE2 2.88Å; E238-V240 PolarHBondContact O-N 3.39Å; E238-S241 WeakPolarHBondContact O-CB 3.34Å; E238-S241 PolarHBondContact O-N 3.39Å; E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 3.08Å; E238-Q431 PolarHBondContact OE2-OE1 3.45Å; E238-W435 VanDerWaalsContact CD-NE1 3.35Å; E238-W435 VanDerWaalsContact CG-NE1 3.26Å
239L98.6Very high98.1Very high4 Ų433.4 Ų33.42%0.02118%0.18CC..Hα-helixtrans-60.6-46.8178.5-178.359.6000110.8I133 Y135 I224 K234 S235 N236 F237 S241 E242 L243 W407 F408I133-L239 HydrophobicContact CD1-CD2 3.92Å; I133-L239 HydrophobicContact CD1-CG 4.08Å; Y135-L239 WeakPolarHBondContact OH-CD2 3.5Å; I224-L239 HydrophobicContact CD1-CD1 4.24Å; I224-L239 HydrophobicContact CD1-CD2 3.88Å; I224-L239 HydrophobicContact CD1-CG 4.45Å; K234-L239 HydrophobicContact CB-CB 4.34Å; S235-L239 WeakPolarHBondContact O-CB 3.28Å; S235-L239 PolarHBondContact O-N 3.08Å; N236-L239 PolarHBondContact O-N 2.86Å; F237-L239 PolarHBondContact O-N 3.19Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 2.85Å; L239-E242 PolarHBondContact O-N 3.25Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.34Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 2.65Å; L239-W407 HydrophobicContact CD1-CB 3.93Å; L239-W407 HydrophobicContact CD1-CD2 4.12Å; L239-W407 HydrophobicContact CD1-CG 3.84Å; L239-F408 HydrophobicContact CD1-CE2 4.48Å; L239-F408 HydrophobicContact CD2-CE2 4.15Å; L239-F408 HydrophobicContact CD2-CZ 4.13Å
240V98.6Very high98.2Very high1 Ų132.4 Ų32.41%0.00618%0.175CC..Hα-helixtrans-58.9-44.2174.5165.90000111.2E127 E128 F131 I133 N236 F237 E238 E242 L243 K244E127-V240 HydrophobicContact CG-CG1 4.08Å; E128-V240 HydrophobicContact CB-CG2 4.46Å; E128-V240 HydrophobicContact CG-CB 4.3Å; E128-V240 HydrophobicContact CG-CG2 4.01Å; F131-V240 HydrophobicContact CB-CG1 3.72Å; F131-V240 HydrophobicContact CB-CG2 4.49Å; F131-V240 HydrophobicContact CD1-CB 4.43Å; F131-V240 HydrophobicContact CD1-CG1 3.94Å; F131-V240 HydrophobicContact CD1-CG2 4.16Å; F131-V240 HydrophobicContact CG-CG1 3.93Å; I133-V240 HydrophobicContact CD1-CG2 3.92Å; N236-V240 WeakPolarHBondContact O-CB 3.46Å; N236-V240 WeakPolarHBondContact O-CG2 3.42Å; N236-V240 PolarHBondContact O-N 2.89Å; F237-V240 PolarHBondContact O-N 3.38Å; E238-V240 PolarHBondContact O-N 3.39Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.22Å; V240-L243 PolarHBondContact O-N 2.83Å; V240-K244 HydrophobicContact CG1-CD 4.05Å; V240-K244 HydrophobicContact CG1-CG 4.45Å; V240-K244 WeakPolarHBondContact O-CB 3.37Å; V240-K244 VanDerWaalsContact O-CG 3.31Å; V240-K244 WeakPolarHBondContact O-CG 3.01Å; V240-K244 PolarHBondContact O-N 3.2Å
241S97.7Very high98.2Very high39 Ų3934.1 Ų34.127%0.27318%0.183SC..Hα-helixtrans-59.3-43.2176.7-174.90000112.3F237 E238 L239 K245F237-S241 PolarHBondContact O-N 2.88Å; E238-S241 WeakPolarHBondContact O-CB 3.34Å; E238-S241 PolarHBondContact O-N 3.39Å; L239-S241 VanDerWaalsContact C-N 3.32Å; L239-S241 PolarHBondContact O-N 2.85Å; S241-K245 WeakPolarHBondContact O-CG 3.31Å; S241-K245 PolarHBondContact O-N 3.49Å
242E98.1Very high98.1Very high33 Ų3334.1 Ų34.115%0.15418%0.184CC..Hα-helixtrans-67.3-44.7176.5-72-70.3105.700112.4E238 L239 V240 K244 K245 K365 W407E238-E242 WeakPolarHBondContact O-CG 3.3Å; E238-E242 PolarHBondContact O-N 3.08Å; L239-E242 PolarHBondContact O-N 3.25Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.22Å; E242-K244 VanDerWaalsContact C-N 3.31Å; E242-K244 PolarHBondContact O-N 3.33Å; E242-K245 WeakPolarHBondContact O-CB 3.47Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.12Å; E242-K245 IonicContact OE1-NZ 3.86Å; E242-K245 PolarHBondContact OE1-NZ 3.22Å; E242-K365 IonicContact OE2-NZ 3.72Å; E242-K365 PolarHBondContact OE2-NZ 3.03Å; E242-W407 HydrophobicContact CB-CZ2 4.07Å
243L98.7Very high98.1Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-66.2-32.5179.8-67.5177.6000112.6F131 I133 Y222 I224 L239 V240 K245 L246 V306 W407F131-L243 HydrophobicContact CE1-CB 3.6Å; F131-L243 HydrophobicContact CE1-CD1 4.21Å; F131-L243 HydrophobicContact CZ-CB 3.98Å; I133-L243 HydrophobicContact CD1-CD1 3.64Å; I133-L243 HydrophobicContact CG1-CD1 3.93Å; Y222-L243 HydrophobicContact CD2-CB 4.12Å; Y222-L243 HydrophobicContact CE2-CB 4.44Å; Y222-L243 WeakPolarHBondContact CE2-O 3.49Å; Y222-L243 HydrophobicContact CG-CD2 4.36Å; I224-L243 HydrophobicContact CD1-CD1 4.34Å; L239-L243 HydrophobicContact CD1-CD1 4.19Å; L239-L243 HydrophobicContact CD1-CG 4.11Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.34Å; L239-L243 WeakPolarHBondContact O-CB 3.38Å; L239-L243 WeakPolarHBondContact O-CG 3.29Å; L239-L243 PolarHBondContact O-N 2.65Å; V240-L243 PolarHBondContact O-N 2.83Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 2.86Å; L243-L246 HydrophobicContact CD2-CD1 3.88Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.44Å; L243-V306 HydrophobicContact CD2-CG1 3.49Å; L243-V306 VanDerWaalsContact CD2-CG1 3.49Å; L243-W407 HydrophobicContact CD2-CE3 4.42Å; L243-W407 HydrophobicContact CD2-CH2 4.11Å; L243-W407 HydrophobicContact CD2-CZ3 4.01Å
244K98.4Very high98.1Very high91 Ų9135.5 Ų35.540%0.39619%0.19SC..Hα-helixtrans-62.3-36.3172.8-77.8176.368.4177.30112.1E127 F131 V240 E242 L246 N247E127-K244 HydrophobicContact CG-CD 4.28Å; E127-K244 VanDerWaalsContact OE1-CD 3.26Å; E127-K244 WeakPolarHBondContact OE1-CD 3.41Å; E127-K244 WeakPolarHBondContact OE1-CE 3.38Å; E127-K244 IonicContact OE1-NZ 2.63Å; E127-K244 PolarHBondContact OE1-NZ 3.14Å; F131-K244 HydrophobicContact CD2-CD 4.15Å; F131-K244 HydrophobicContact CD2-CG 3.58Å; F131-K244 HydrophobicContact CE1-CG 4.45Å; F131-K244 HydrophobicContact CE2-CB 4.44Å; F131-K244 HydrophobicContact CE2-CD 4.43Å; F131-K244 HydrophobicContact CE2-CG 3.41Å; F131-K244 VanDerWaalsContact CE2-CG 3.41Å; F131-K244 HydrophobicContact CG-CG 4.18Å; F131-K244 HydrophobicContact CZ-CG 3.86Å; V240-K244 HydrophobicContact CG1-CD 4.05Å; V240-K244 HydrophobicContact CG1-CG 4.45Å; V240-K244 WeakPolarHBondContact O-CB 3.37Å; V240-K244 VanDerWaalsContact O-CG 3.31Å; V240-K244 WeakPolarHBondContact O-CG 3.01Å; V240-K244 PolarHBondContact O-N 3.2Å; E242-K244 VanDerWaalsContact C-N 3.31Å; E242-K244 PolarHBondContact O-N 3.33Å; K244-L246 PolarHBondContact O-N 3.3Å; K244-N247 PolarHBondContact O-N 3.33Å; K244-N247 VanDerWaalsContact O-N 3.11Å
245K98.2Very high98.1Very high140 Ų14035.2 Ų35.261%0.60919%0.191SC*.Hα-helixtrans-65.2-23178-63.6167.8-167173.20112.8S241 E242 L243 N247S241-K245 WeakPolarHBondContact O-CG 3.31Å; S241-K245 PolarHBondContact O-N 3.49Å; E242-K245 WeakPolarHBondContact O-CB 3.47Å; E242-K245 PolarHBondContact O-N 3.43Å; E242-K245 VanDerWaalsContact O-N 3.12Å; E242-K245 IonicContact OE1-NZ 3.86Å; E242-K245 PolarHBondContact OE1-NZ 3.22Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 2.86Å; K245-N247 PolarHBondContact O-N 3.08Å
246L98.1Very high98.1Very high25 Ų2540.8 Ų40.813%0.13121%0.214CC..THydrogen-bonded Turntrans-66.2-25174.8-62.4178.2000112.6Y222 L243 K244 G248 A249 M251 V306 W407Y222-L246 HydrophobicContact CD1-CD1 4.34Å; Y222-L246 HydrophobicContact CE1-CB 4.4Å; Y222-L246 HydrophobicContact CE1-CD1 3.84Å; Y222-L246 VanDerWaalsContact OH-CB 3.25Å; Y222-L246 WeakPolarHBondContact OH-CB 3.45Å; L243-L246 HydrophobicContact CD2-CD1 3.88Å; L243-L246 WeakPolarHBondContact O-CB 3.49Å; L243-L246 PolarHBondContact O-N 3.44Å; K244-L246 PolarHBondContact O-N 3.3Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.13Å; L246-G248 VanDerWaalsContact O-N 3.1Å; L246-A249 WeakPolarHBondContact O-CB 3.42Å; L246-A249 PolarHBondContact O-N 3.33Å; L246-M251 HydrophobicContact CD1-CB 4.35Å; L246-M251 HydrophobicContact CD2-CB 4.3Å; L246-M251 HydrophobicContact CD2-CE 3.85Å; L246-V306 HydrophobicContact CD1-CG1 4.12Å; L246-W407 HydrophobicContact CD1-CH2 3.86Å; L246-W407 HydrophobicContact CD2-CH2 4.21Å; L246-W407 HydrophobicContact CG-CH2 4.31Å
247N97.5Very high98.1Very high152 Ų15241.5 Ų41.581%0.81322%0.22SC*.THydrogen-bonded Turntrans47.243.1174-167.339.2000115K244 K245K244-N247 PolarHBondContact O-N 3.33Å; K244-N247 VanDerWaalsContact O-N 3.11Å; K245-N247 PolarHBondContact O-N 3.08Å
248G97.3Very high98.1Very high35 Ų3543.2 Ų43.236%0.36123%0.233SC..THydrogen-bonded Turntrans92.7-11.5-178.600000114.9Y222 L246 G350Y222-G248 WeakPolarHBondContact OH-CA 3.41Å; Y222-G248 PolarHBondContact OH-N 2.98Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.13Å; L246-G248 VanDerWaalsContact O-N 3.1Å; G248-G350 WeakPolarHBondContact O-CA 3.37Å
249A98Very high98Very high41 Ų4148.5 Ų48.534%0.33926%0.262SS..  trans-70.3155.1170.200000111.3Y222 L246Y222-A249 VanDerWaalsContact CE1-O 3.24Å; Y222-A249 WeakPolarHBondContact CE1-O 3.48Å; Y222-A249 PolarHBondContact OH-O 3.43Å; L246-A249 WeakPolarHBondContact O-CB 3.42Å; L246-A249 PolarHBondContact O-N 3.33Å
250N98.3Very high97.8Very high6 Ų653.2 Ų53.23%0.03230%0.296CS..  trans-98.6162.8174.8-49.6-68.7000110.1L307 S308 F311 I343 P349 G350N250-L307 HydrophobicContact CB-CD2 4.03Å; N250-L307 WeakPolarHBondContact OD1-CA 3.46Å; N250-S308 PolarHBondContact OD1-N 3.22Å; N250-S308 PolarHBondContact OD1-OG 2.78Å; N250-F311 VanDerWaalsContact ND2-CD2 3.34Å; N250-F311 WeakPolarHBondContact ND2-CD2 3.46Å; N250-F311 WeakPolarHBondContact OD1-CB 3.25Å; N250-I343 HydrophobicContact CB-CD1 3.64Å; N250-I343 HydrophobicContact CB-CG1 4.35Å; N250-P349 PolarHBondContact ND2-O 2.96Å; N250-G350 WeakPolarHBondContact ND2-CA 3.48Å; N250-G350 PolarHBondContact ND2-O 2.96Å
251M98.4Very high97.7Very high37 Ų3755.3 Ų55.318%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-130.5121175.9-177.763.265.600109.2L246 V306 K365 T366 W407L246-M251 HydrophobicContact CD1-CB 4.35Å; L246-M251 HydrophobicContact CD2-CB 4.3Å; L246-M251 HydrophobicContact CD2-CE 3.85Å; M251-V306 HydrophobicContact CB-CB 4.29Å; M251-V306 PolarHBondContact N-O 3.3Å; M251-V306 PolarHBondContact O-N 3.15Å; M251-K365 HydrophobicContact CG-CB 4.49Å; M251-T366 HydrophobicContact CB-CG2 4.25Å; M251-T366 HydrophobicContact CG-CG2 3.84Å; M251-T366 WeakPolarHBondContact O-CG2 3.32Å; M251-W407 HydrophobicContact CB-CH2 3.79Å; M251-W407 HydrophobicContact CB-CZ3 3.83Å; M251-W407 HydrophobicContact CG-CH2 3.74Å; M251-W407 HydrophobicContact CG-CZ3 3.79Å
252L98.5Very high97.6Very high1 Ų156.5 Ų56.51%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-168.2160.417256.2111000110.1T254 F305 L307 W339 A340 I343 S364L252-T254 PolarHBondContact O-N 3.17Å; L252-F305 HydrophobicContact CB-CB 4.13Å; L252-F305 HydrophobicContact CD2-CB 4.02Å; L252-L307 HydrophobicContact CD2-CD2 3.56Å; L252-W339 HydrophobicContact CD1-CB 4.23Å; L252-A340 HydrophobicContact CD1-CB 4.38Å; L252-I343 HydrophobicContact CD1-CB 4.45Å; L252-I343 HydrophobicContact CD1-CD1 4.48Å; L252-I343 HydrophobicContact CD1-CG2 3.87Å; L252-I343 HydrophobicContact CD2-CB 4.35Å; L252-I343 HydrophobicContact CD2-CD1 3.77Å; L252-I343 HydrophobicContact CG-CD1 3.88Å; L252-I343 HydrophobicContact CG-CG2 4.39Å; L252-S364 WeakPolarHBondContact CA-OG 3.38Å
253E98.6Very high97.5Very high35 Ų3559.6 Ų59.616%0.16432%0.322CS..  trans-66.6128.7172.9-177.8-170.4176.600110.1V255 S302 A340 V359 S364E253-V255 HydrophobicContact CG-CG1 4.4Å; E253-S302 WeakPolarHBondContact OE2-CB 3.4Å; E253-S302 PolarHBondContact OE2-N 3.21Å; E253-S302 VanDerWaalsContact OE2-N 3.16Å; E253-A340 WeakPolarHBondContact O-CB 3.45Å; E253-V359 WeakPolarHBondContact CA-O 3.1Å; E253-S364 PolarHBondContact N-OG 3.16Å
254T98.6Very high97.5Very high0 Ų062.7 Ų62.70%033%0.334CS..BIsolated β-bridgetrans-153104.5177.6170.50000110.1L252 V300 A340 I343 R344 I352 V359L252-T254 PolarHBondContact O-N 3.17Å; T254-V300 WeakPolarHBondContact CA-O 3.38Å; T254-A340 PolarHBondContact OG1-O 3.1Å; T254-I343 HydrophobicContact CG2-CG2 3.84Å; T254-R344 PolarHBondContact O-NH2 3.47Å; T254-R344 WeakPolarHBondContact OG1-CG 3.47Å; T254-R344 PolarHBondContact OG1-NE 3.17Å; T254-I352 HydrophobicContact CG2-CD1 4.02Å; T254-V359 HydrophobicContact CG2-CB 4.11Å; T254-V359 HydrophobicContact CG2-CG2 4.28Å; T254-V359 PolarHBondContact N-O 3.24Å; T254-V359 PolarHBondContact O-N 3.37Å
255V98.4Very high97.4Very high27 Ų2759.1 Ų59.116%0.16432%0.318CS..BIsolated β-bridgetrans-127.8158.3-176.1-50.20000111.1E253 F299 V300 D358 V359E253-V255 HydrophobicContact CG-CG1 4.4Å; V255-F299 WeakPolarHBondContact O-CA 3.5Å; V255-V300 HydrophobicContact CG2-CG2 3.57Å; V255-V300 PolarHBondContact N-O 3.39Å; V255-V300 PolarHBondContact O-N 3.42Å; V255-D358 HydrophobicContact CB-CB 3.99Å; V255-D358 HydrophobicContact CG1-CB 3.94Å; V255-V359 VanDerWaalsContact CG1-O 3.28Å; V255-V359 WeakPolarHBondContact CG1-O 3.49Å
256K97.9Very high97.4Very high121 Ų12154.8 Ų54.853%0.52630%0.304SS..PPolyproline II helixtrans-62.4139173.9-72.6177.2-175.9174.70110.1P258 F299 D358K256-P258 WeakPolarHBondContact O-CD 3.05Å; K256-F299 HydrophobicContact CG-CD1 4.44Å; K256-F299 HydrophobicContact CG-CE1 4Å; K256-D358 PolarHBondContact N-OD1 2.72Å; K256-D358 PolarHBondContact N-OD2 2.86Å
257P97.3Very high97.4Very high32 Ų3257.2 Ų57.221%0.20831%0.312CS..PPolyproline II helixtrans-61.9125.4-176.9-2132000111.5L262 F265 I298 V300P257-L262 HydrophobicContact CB-CD2 3.89Å; P257-F265 HydrophobicContact CB-CE1 4.17Å; P257-F265 HydrophobicContact CB-CZ 3.81Å; P257-F265 HydrophobicContact CG-CE1 4.45Å; P257-F265 HydrophobicContact CG-CZ 3.96Å; P257-I298 VanDerWaalsContact CD-O 3.24Å; P257-I298 WeakPolarHBondContact CD-O 3.47Å; P257-I298 HydrophobicContact CG-CB 4.36Å; P257-I298 HydrophobicContact CG-CG2 4.05Å; P257-I298 WeakPolarHBondContact CG-O 3.19Å; P257-V300 HydrophobicContact CB-CG1 3.93Å; P257-V300 HydrophobicContact CG-CG1 4.1Å
258P96.3Very high97.4Very high57 Ų5752.5 Ų52.537%0.3729%0.285SS..PPolyproline II helixtrans-71155.1168.830.9-34000110K256 S260 K261K256-P258 WeakPolarHBondContact O-CD 3.05Å; P258-S260 PolarHBondContact O-N 3.09Å; P258-K261 HydrophobicContact CG-CB 4.16Å; P258-K261 HydrophobicContact CG-CD 4.31Å; P258-K261 HydrophobicContact CG-CG 3.98Å; P258-K261 PolarHBondContact O-N 3.18Å
259N96.6Very high97.5Very high141 Ų14151.7 Ų51.775%0.75427%0.272SS*.G310 helixtrans-52.3-35.8-179.6-71.6-18.1000113K261 L262N259-K261 PolarHBondContact O-N 3.23Å; N259-L262 PolarHBondContact O-N 3.05Å
260S94.8Very high97.4Very high104 Ų10454.4 Ų54.473%0.72728%0.277SS*.G310 helixtrans-66.2-19179.458.30000114.7P258P258-S260 PolarHBondContact O-N 3.09Å
261K96.3Very high97.3Very high44 Ų4456.9 Ų56.919%0.19129%0.29CS..G310 helixtrans-101.2-8.8178.8-70.7-162.9-179.9-164.70113.4P258 N259 E263 R264 F265 V300 E336P258-K261 HydrophobicContact CG-CB 4.16Å; P258-K261 HydrophobicContact CG-CD 4.31Å; P258-K261 HydrophobicContact CG-CG 3.98Å; P258-K261 PolarHBondContact O-N 3.18Å; N259-K261 PolarHBondContact O-N 3.23Å; K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.11Å; K261-R264 VanDerWaalsContact O-CB 3.27Å; K261-R264 WeakPolarHBondContact O-CB 3.37Å; K261-R264 WeakPolarHBondContact O-CG 3.39Å; K261-R264 PolarHBondContact O-N 2.91Å; K261-R264 VanDerWaalsContact O-N 3.14Å; K261-F265 WeakPolarHBondContact O-CE1 3.48Å; K261-V300 HydrophobicContact CB-CG1 4.49Å; K261-V300 HydrophobicContact CD-CB 4.27Å; K261-V300 HydrophobicContact CD-CG1 4.22Å; K261-V300 HydrophobicContact CD-CG2 4.26Å; K261-E336 IonicContact NZ-OE2 3.81Å; K261-E336 PolarHBondContact NZ-OE2 3.14Å
262L96.3Very high97.1Very high64 Ų6460.8 Ų60.834%0.33530%0.303SS..THydrogen-bonded Turntrans-58.7-43-175.1-65.9179.9000112.5P257 N259 R264 F265 T266P257-L262 HydrophobicContact CB-CD2 3.89Å; N259-L262 PolarHBondContact O-N 3.05Å; L262-R264 PolarHBondContact O-N 3.02Å; L262-F265 HydrophobicContact CD2-CE2 4.15Å; L262-F265 HydrophobicContact CD2-CZ 3.66Å; L262-F265 PolarHBondContact O-N 2.83Å; L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.43Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 3.13Å; L262-T266 VanDerWaalsContact O-OG1 3.07Å
263E96Very high96.6Very high99 Ų9971 Ų7146%0.46334%0.341SS..Hα-helixtrans-59.8-23.3-178.2-67.1-165.9177.100113.7K261 F265 T266 Y267 H269 R284K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.11Å; E263-F265 PolarHBondContact O-N 2.83Å; E263-T266 WeakPolarHBondContact CA-OG1 3.41Å; E263-Y267 HydrophobicContact CB-CD2 4.38Å; E263-Y267 HydrophobicContact CG-CD2 4.49Å; E263-Y267 HydrophobicContact CG-CE2 4.36Å; E263-H269 PolarHBondContact O-CE1 3.05Å; E263-R284 IonicContact OE1-NH1 3.79Å; E263-R284 IonicContact OE2-CZ 3.8Å; E263-R284 IonicContact OE2-NH1 3.6Å; E263-R284 PolarHBondContact OE2-NH1 3.05Å
264R97.4Very high95.9Very high64 Ų6471.1 Ų71.124%0.24234%0.344CS..Hα-helixtrans-62.2-26.6-179.2-65.5-174.9175.5-167.40.7112.9K261 L262 H269 T331 Y332 E336K261-R264 VanDerWaalsContact O-CB 3.27Å; K261-R264 WeakPolarHBondContact O-CB 3.37Å; K261-R264 WeakPolarHBondContact O-CG 3.39Å; K261-R264 PolarHBondContact O-N 2.91Å; K261-R264 VanDerWaalsContact O-N 3.14Å; L262-R264 PolarHBondContact O-N 3.02Å; R264-H269 PolarHBondContact O-CE1 2.9Å; R264-T331 WeakPolarHBondContact O-CB 3.47Å; R264-Y332 HydrophobicContact CG-CD1 4.01Å; R264-Y332 HydrophobicContact CG-CG 4.43Å; R264-Y332 PolarHBondContact O-N 3.38Å; R264-E336 IonicContact CZ-OE2 3.4Å; R264-E336 IonicContact NH1-OE1 3.58Å; R264-E336 IonicContact NH1-OE2 3.48Å; R264-E336 PolarHBondContact NH1-OE2 3.35Å
265F97.5Very high94.7Very high16 Ų1676 Ų767%0.0738%0.376CS..Hα-helixtrans-130.9-1.8-174.257.2-104.1000114.1P257 K261 L262 E263 I298 V300 W327 T331P257-F265 HydrophobicContact CB-CE1 4.17Å; P257-F265 HydrophobicContact CB-CZ 3.81Å; P257-F265 HydrophobicContact CG-CE1 4.45Å; P257-F265 HydrophobicContact CG-CZ 3.96Å; K261-F265 WeakPolarHBondContact O-CE1 3.48Å; L262-F265 HydrophobicContact CD2-CE2 4.15Å; L262-F265 HydrophobicContact CD2-CZ 3.66Å; L262-F265 PolarHBondContact O-N 2.83Å; E263-F265 PolarHBondContact O-N 2.83Å; F265-I298 HydrophobicContact CD1-CG2 4.08Å; F265-I298 HydrophobicContact CD2-CG1 4.12Å; F265-I298 HydrophobicContact CD2-CG2 4.27Å; F265-I298 HydrophobicContact CE1-CG2 3.78Å; F265-I298 HydrophobicContact CE2-CB 4.11Å; F265-I298 HydrophobicContact CE2-CG1 4.13Å; F265-I298 HydrophobicContact CE2-CG2 3.98Å; F265-I298 HydrophobicContact CG-CG2 4.31Å; F265-I298 HydrophobicContact CZ-CB 4.21Å; F265-I298 HydrophobicContact CZ-CG2 3.7Å; F265-V300 HydrophobicContact CE1-CG1 4.24Å; F265-W327 HydrophobicContact CB-CH2 3.89Å; F265-W327 HydrophobicContact CB-CZ3 4.49Å; F265-W327 HydrophobicContact CD2-CH2 4.49Å; F265-W327 WeakPolarHBondContact O-CZ2 3.34Å; F265-T331 HydrophobicContact CB-CG2 4.08Å
266T97.8Very high93.3Very high50 Ų5085.8 Ų85.831%0.30741%0.411SS..Hα-helixtrans-93-8.5171.956.50000113.9L262 E263 S288 K289L262-T266 WeakPolarHBondContact O-CG2 3.32Å; L262-T266 PolarHBondContact O-N 3.43Å; L262-T266 VanDerWaalsContact O-N 3.16Å; L262-T266 PolarHBondContact O-OG1 3.13Å; L262-T266 VanDerWaalsContact O-OG1 3.07Å; E263-T266 WeakPolarHBondContact CA-OG1 3.41Å; T266-S288 WeakPolarHBondContact O-CA 3.43Å; T266-S288 PolarHBondContact O-OG 3.21Å; T266-S288 VanDerWaalsContact O-OG 3.13Å; T266-K289 PolarHBondContact O-N 3.35Å
267Y98.1Very high91.8Very high76 Ų7684.7 Ų84.730%0.29841%0.408SS..EExtended strand (participates in β ladder)trans-127.7150.2176.2-67.8-86.7000111.7E263 H269 R284 V287 K289E263-Y267 HydrophobicContact CB-CD2 4.38Å; E263-Y267 HydrophobicContact CG-CD2 4.49Å; E263-Y267 HydrophobicContact CG-CE2 4.36Å; Y267-H269 PolarHBondContact O-CE1 3.14Å; Y267-H269 PolarHBondContact O-ND1 2.89Å; Y267-R284 HydrophobicContact CG-CG 4.2Å; Y267-V287 WeakPolarHBondContact CA-O 3.44Å; Y267-K289 WeakPolarHBondContact O-CD 3.01Å
268H98.1Very high90.4Very high53 Ų5394.8 Ų94.825%0.24544%0.444CS..EExtended strand (participates in β ladder)trans-69.6139.6172-69.2-95.8000109.8T285 V287 D330H268-T285 WeakPolarHBondContact CB-OG1 3.29Å; H268-T285 WeakPolarHBondContact O-CB 3.27Å; H268-T285 WeakPolarHBondContact O-CG2 3.44Å; H268-T285 PolarHBondContact O-N 3.36Å; H268-T285 PolarHBondContact O-OG1 3.41Å; H268-V287 HydrophobicContact CB-CB 4.36Å; H268-V287 VanDerWaalsContact CD2-CG1 3.48Å; H268-V287 WeakPolarHBondContact CD2-CG1 3.16Å; H268-V287 PolarHBondContact CD2-O 3.49Å; H268-V287 PolarHBondContact N-O 2.86Å; H268-D330 CarbonylContact C-O 3.56Å; H268-D330 IonicContact CE1-OD2 3.81Å; H268-D330 PolarHBondContact CE1-OD2 3.47Å; H268-D330 VanDerWaalsContact CE1-OD2 3.27Å; H268-D330 IonicContact CG-OD2 3.32Å; H268-D330 IonicContact ND1-OD1 2.64Å; H268-D330 IonicContact ND1-OD2 2.69Å; H268-D330 PolarHBondContact ND1-OD2 3.28Å
269H97.9Very high89.7Confident18 Ų1895.4 Ų95.48%0.08345%0.446CS..EExtended strand (participates in β ladder)trans-119.7133.2175.7-67.272.3000109.9E263 R264 Y267 P282 V283 R284 D330 Y332E263-H269 PolarHBondContact O-CE1 3.05Å; R264-H269 PolarHBondContact O-CE1 2.9Å; Y267-H269 PolarHBondContact O-CE1 3.14Å; Y267-H269 PolarHBondContact O-ND1 2.89Å; H269-P282 HydrophobicContact CB-CB 3.95Å; H269-V283 WeakPolarHBondContact CA-O 3.37Å; H269-R284 VanDerWaalsContact CD2-CA 3.42Å; H269-R284 WeakPolarHBondContact CD2-CA 3.4Å; H269-R284 PolarHBondContact CD2-N 3.47Å; H269-D330 PolarHBondContact N-O 3.29Å; H269-Y332 AromaticContact CD2-CD2 3.87Å
270E96.4Very high89.3Confident97 Ų9792.9 Ų92.945%0.45343%0.429SS..EExtended strand (participates in β ladder)trans-115.5136.2178.7-73.3176.9-169.800110.6R272 P282 V283 T285E270-R272 HydrophobicContact CB-CG 4.33Å; E270-R272 PolarHBondContact O-N 2.97Å; E270-R272 VanDerWaalsContact O-N 3.15Å; E270-R272 IonicContact OE2-CZ 3.12Å; E270-R272 VanDerWaalsContact OE2-CZ 3.32Å; E270-R272 IonicContact OE2-NE 2.71Å; E270-R272 PolarHBondContact OE2-NE 3.12Å; E270-R272 VanDerWaalsContact OE2-NE 3.12Å; E270-R272 IonicContact OE2-NH2 2.65Å; E270-R272 PolarHBondContact OE2-NH2 2.89Å; E270-P282 WeakPolarHBondContact O-CA 3.5Å; E270-V283 PolarHBondContact N-O 3.31Å; E270-V283 PolarHBondContact O-N 3.45Å; E270-T285 HydrophobicContact CB-CG2 4.25Å; E270-T285 HydrophobicContact CG-CG2 3.78Å
271L95.4Very high89.2Confident58 Ų5889 Ų8930%0.30440%0.4SS..EExtended strand (participates in β ladder)trans-71.4108.3177.5-173.168.5000110.3E196 H199 K280E196-L271 HydrophobicContact CB-CD1 4Å; E196-L271 HydrophobicContact CG-CD1 4.18Å; E196-L271 HydrophobicContact CG-CD2 3.92Å; H199-L271 HydrophobicContact CB-CD1 4.5Å; L271-K280 HydrophobicContact CD1-CB 3.56Å; L271-K280 HydrophobicContact CD2-CB 4.23Å; L271-K280 HydrophobicContact CD2-CD 3.93Å; L271-K280 HydrophobicContact CG-CB 3.72Å; L271-K280 HydrophobicContact CG-CD 4.01Å
272R94.2Very high89.2Confident119 Ų11987.2 Ų87.245%0.44939%0.393SS..EExtended strand (participates in β ladder)trans-125.8156.8-177.1-64.7-178.9-178.5-176.3-0111.3E270 V274 K280 L281 V283E270-R272 HydrophobicContact CB-CG 4.33Å; E270-R272 PolarHBondContact O-N 2.97Å; E270-R272 VanDerWaalsContact O-N 3.15Å; E270-R272 IonicContact OE2-CZ 3.12Å; E270-R272 VanDerWaalsContact OE2-CZ 3.32Å; E270-R272 IonicContact OE2-NE 2.71Å; E270-R272 PolarHBondContact OE2-NE 3.12Å; E270-R272 VanDerWaalsContact OE2-NE 3.12Å; E270-R272 IonicContact OE2-NH2 2.65Å; E270-R272 PolarHBondContact OE2-NH2 2.89Å; R272-V274 PolarHBondContact O-N 3.47Å; R272-K280 WeakPolarHBondContact O-CA 3.44Å; R272-L281 PolarHBondContact N-O 3.26Å; R272-L281 PolarHBondContact O-N 2.74Å; R272-V283 HydrophobicContact CB-CG2 4.06Å
273R89.1Confident89.2Confident216 Ų21686.3 Ų86.382%0.81539%0.39SS*.EExtended strand (participates in β ladder)trans-75.2122.1167.1-71.7-176.7178.3173.30.8108.1K280R273-K280 HydrophobicContact CG-CG 4.12Å
274V83.4Confident89.2Confident37 Ų3786.9 Ų86.922%0.22439%0.388CS..PPolyproline II helixtrans-94.4136176-96.60000109.5R272 E277 L281 V283R272-V274 PolarHBondContact O-N 3.47Å; V274-E277 HydrophobicContact CG2-CB 3.87Å; V274-E277 HydrophobicContact CG2-CG 4.39Å; V274-E277 PolarHBondContact O-N 3.11Å; V274-L281 HydrophobicContact CG2-CB 3.95Å; V274-L281 HydrophobicContact CG2-CD1 3.81Å; V274-L281 HydrophobicContact CG2-CG 3.71Å; V274-V283 HydrophobicContact CG1-CG2 4.02Å
275P74.1Confident89.1Confident102 Ų10284.4 Ų84.466%0.66238%0.38SS*.THydrogen-bonded Turntrans-55.2142.1171.6-23.333.8000110.4E277P275-E277 PolarHBondContact O-N 2.91Å
276Y68.8Low89.1Confident233 Ų23390.7 Ų90.791%0.91441%0.414SS*.THydrogen-bonded Turntrans73.2-4.5178.7-45.1-77.7000117
277E65.3Low89.1Confident99 Ų9992.4 Ų92.446%0.46342%0.424SS..  trans-113.2133.8168.3-68.8-167.2-158.900110.7V274 P275 V279 L281V274-E277 HydrophobicContact CG2-CB 3.87Å; V274-E277 HydrophobicContact CG2-CG 4.39Å; V274-E277 PolarHBondContact O-N 3.11Å; P275-E277 PolarHBondContact O-N 2.91Å; E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 3.29Å; E277-V279 VanDerWaalsContact OE2-CG2 3.26Å; E277-V279 WeakPolarHBondContact OE2-CG2 3.39Å; E277-L281 VanDerWaalsContact OE2-CD1 3.27Å; E277-L281 WeakPolarHBondContact OE2-CD1 3.45Å
278Y68.9Low89.1Confident244 Ų24492.5 Ų92.596%0.95744%0.436SS*.SBendtrans-76.12.7174.8-63.9-80000112.8
279V80.5Confident89Confident69 Ų6991 Ų9142%0.41843%0.429SS..SBendtrans-115.4159.6-176.4-620000111.3E277 L281E277-V279 HydrophobicContact CB-CG2 4.08Å; E277-V279 PolarHBondContact O-N 3.29Å; E277-V279 VanDerWaalsContact OE2-CG2 3.26Å; E277-V279 WeakPolarHBondContact OE2-CG2 3.39Å; V279-L281 HydrophobicContact CG2-CD2 4.29Å
280K89.6Confident89Confident88 Ų8898.1 Ų98.138%0.38346%0.462SS..EExtended strand (participates in β ladder)trans-88.3139171.7-64.3-179.7-178.4178.40109.1L271 R272 R273L271-K280 HydrophobicContact CD1-CB 3.56Å; L271-K280 HydrophobicContact CD2-CB 4.23Å; L271-K280 HydrophobicContact CD2-CD 3.93Å; L271-K280 HydrophobicContact CG-CB 3.72Å; L271-K280 HydrophobicContact CG-CD 4.01Å; R272-K280 WeakPolarHBondContact O-CA 3.44Å; R273-K280 HydrophobicContact CG-CG 4.12Å
281L92.6Very high89Confident22 Ų2297.4 Ų97.412%0.11547%0.473CS..EExtended strand (participates in β ladder)trans-123.8146.9175.6-66.5-172.2000111.1Y197 R272 V274 E277 V279 V283Y197-L281 HydrophobicContact CD1-CD2 3.8Å; Y197-L281 HydrophobicContact CG-CD2 4.47Å; R272-L281 PolarHBondContact N-O 3.26Å; R272-L281 PolarHBondContact O-N 2.74Å; V274-L281 HydrophobicContact CG2-CB 3.95Å; V274-L281 HydrophobicContact CG2-CD1 3.81Å; V274-L281 HydrophobicContact CG2-CG 3.71Å; E277-L281 VanDerWaalsContact OE2-CD1 3.27Å; E277-L281 WeakPolarHBondContact OE2-CD1 3.45Å; V279-L281 HydrophobicContact CG2-CD2 4.29Å; L281-V283 PolarHBondContact O-N 2.9Å
282P95.6Very high89.1Confident7 Ų795.9 Ų95.95%0.04547%0.467CS..EExtended strand (participates in β ladder)trans-64.2117.9165.4-15.929000109.7Y197 A198 H199 H269 E270 Y332Y197-P282 WeakPolarHBondContact O-CD 3.19Å; A198-P282 HydrophobicContact CB-CG 4.28Å; A198-P282 WeakPolarHBondContact O-CG 3.36Å; H199-P282 HydrophobicContact CB-CG 3.94Å; H269-P282 HydrophobicContact CB-CB 3.95Å; E270-P282 WeakPolarHBondContact O-CA 3.5Å; P282-Y332 HydrophobicContact CB-CD2 4Å
283V95.6Very high89.2Confident46 Ų4691.9 Ų91.928%0.27946%0.456SS..EExtended strand (participates in β ladder)trans-107.1128.9178.3179.40000108.7H269 E270 R272 V274 L281 T285H269-V283 WeakPolarHBondContact CA-O 3.37Å; E270-V283 PolarHBondContact N-O 3.31Å; E270-V283 PolarHBondContact O-N 3.45Å; R272-V283 HydrophobicContact CB-CG2 4.06Å; V274-V283 HydrophobicContact CG1-CG2 4.02Å; L281-V283 PolarHBondContact O-N 2.9Å; V283-T285 PolarHBondContact O-N 2.86Å
284R96.3Very high89.6Confident111 Ų11186.4 Ų86.442%0.41944%0.439SS..EExtended strand (participates in β ladder)trans-57.5129.3176.4-163.8-165.476.1-162.92.7110E263 Y267 H269E263-R284 IonicContact OE1-NH1 3.79Å; E263-R284 IonicContact OE2-CZ 3.8Å; E263-R284 IonicContact OE2-NH1 3.6Å; E263-R284 PolarHBondContact OE2-NH1 3.05Å; Y267-R284 HydrophobicContact CG-CG 4.2Å; H269-R284 VanDerWaalsContact CD2-CA 3.42Å; H269-R284 WeakPolarHBondContact CD2-CA 3.4Å; H269-R284 PolarHBondContact CD2-N 3.47Å
285T96.9Very high90.1Very high12 Ų1291.3 Ų91.37%0.07446%0.464CS..EExtended strand (participates in β ladder)trans-91176.9170.572.70000110.3H268 E270 V283 V287H268-T285 WeakPolarHBondContact CB-OG1 3.29Å; H268-T285 WeakPolarHBondContact O-CB 3.27Å; H268-T285 WeakPolarHBondContact O-CG2 3.44Å; H268-T285 PolarHBondContact O-N 3.36Å; H268-T285 PolarHBondContact O-OG1 3.41Å; E270-T285 HydrophobicContact CB-CG2 4.25Å; E270-T285 HydrophobicContact CG-CG2 3.78Å; V283-T285 PolarHBondContact O-N 2.86Å; T285-V287 VanDerWaalsContact C-N 3.27Å; T285-V287 PolarHBondContact OG1-N 3.45Å
286N96.3Very high91.3Very high148 Ų14886.9 Ų86.979%0.79144%0.435SS*.EExtended strand (participates in β ladder)trans-89.28171.8-67-19.3000112.6
287V97.8Very high92.6Very high86 Ų8680 Ų8052%0.52141%0.411SS..EExtended strand (participates in β ladder)trans-93120.9-179.7-170.40000108.4Y267 H268 T285Y267-V287 WeakPolarHBondContact CA-O 3.44Å; H268-V287 HydrophobicContact CB-CB 4.36Å; H268-V287 VanDerWaalsContact CD2-CG1 3.48Å; H268-V287 WeakPolarHBondContact CD2-CG1 3.16Å; H268-V287 PolarHBondContact CD2-O 3.49Å; H268-V287 PolarHBondContact N-O 2.86Å; T285-V287 VanDerWaalsContact C-N 3.27Å; T285-V287 PolarHBondContact OG1-N 3.45Å
288S97.8Very high94.2Very high78 Ų7876 Ų7655%0.54539%0.393SS..EExtended strand (participates in β ladder)trans-76.2144173.8-173.40000110.4T266T266-S288 WeakPolarHBondContact O-CA 3.43Å; T266-S288 PolarHBondContact O-OG 3.21Å; T266-S288 VanDerWaalsContact O-OG 3.13Å
289K97.5Very high95.6Very high22 Ų2264.3 Ų64.310%0.09635%0.347CS..PPolyproline II helixtrans-84.1147.4174.8-71.3178.260.666.70110.6T266 Y267 W327 D330 T331T266-K289 PolarHBondContact O-N 3.35Å; Y267-K289 WeakPolarHBondContact O-CD 3.01Å; K289-W327 VanDerWaalsContact CE-CE2 3.49Å; K289-W327 WeakPolarHBondContact CE-O 3.23Å; K289-W327 PolarHBondContact NZ-O 3.19Å; K289-D330 IonicContact NZ-OD1 3.27Å; K289-D330 PolarHBondContact NZ-OD1 3Å; K289-T331 HydrophobicContact CD-CG2 3.96Å
290E96.7Very high96.5Very high166 Ų16661.3 Ų61.378%0.77633%0.329SS*.PPolyproline II helixtrans-60.8157.6163.2-63.7-173168.700110.9W327E290-W327 PolarHBondContact O-NE1 3.12Å
291A97.2Very high96.9Very high82 Ų8257.1 Ų57.168%0.67831%0.311SS*.PPolyproline II helixtrans-56.2151.4174.300000111
292P97.3Very high97.1Very high27 Ų2757.3 Ų57.318%0.17531%0.314CS..PPolyproline II helixtrans-53.9141.8175.4-20.829.6000111.2I296 I298 F324 W327P292-I296 HydrophobicContact CB-CB 4.06Å; P292-I296 HydrophobicContact CB-CG2 4.39Å; P292-I296 WeakPolarHBondContact CB-O 3.34Å; P292-I298 HydrophobicContact CB-CD1 4.16Å; P292-I298 HydrophobicContact CG-CD1 3.56Å; P292-I298 HydrophobicContact CG-CG1 3.65Å; P292-F324 HydrophobicContact CB-CD2 4.39Å; P292-F324 HydrophobicContact CB-CE2 4.25Å; P292-W327 HydrophobicContact CB-CD2 4.48Å; P292-W327 HydrophobicContact CB-CH2 4.47Å; P292-W327 HydrophobicContact CB-CZ2 4.31Å; P292-W327 HydrophobicContact CG-CH2 3.83Å; P292-W327 HydrophobicContact CG-CZ2 3.74Å; P292-W327 HydrophobicContact CG-CZ3 4.4Å
293P97.1Very high97.2Very high34 Ų3457.5 Ų57.522%0.22132%0.316CS..G310 helixtrans-63.2161.5-177.528.6-36.4000111.2N295 I296 D323 F324 W327P293-N295 PolarHBondContact O-N 3.06Å; P293-N295 VanDerWaalsContact O-N 3.11Å; P293-I296 WeakPolarHBondContact O-CB 2.96Å; P293-I296 WeakPolarHBondContact O-CD1 3.49Å; P293-I296 VanDerWaalsContact O-CG1 3.24Å; P293-I296 WeakPolarHBondContact O-CG1 3.25Å; P293-I296 PolarHBondContact O-N 2.89Å; P293-I296 VanDerWaalsContact O-N 3.15Å; P293-D323 HydrophobicContact CB-CB 4.31Å; P293-D323 HydrophobicContact CG-CB 4.06Å; P293-F324 HydrophobicContact CG-CB 4.45Å; P293-W327 HydrophobicContact CG-CB 4.29Å
294H96.6Very high97.3Very high101 Ų10157 Ų5747%0.46831%0.309SS..G310 helixtrans57.926.9172.9-52.5-65.6000115.1I296 V320 D323H294-I296 HydrophobicContact CB-CG1 4.41Å; H294-I296 PolarHBondContact O-N 2.82Å; H294-V320 HydrophobicContact CB-CG1 3.84Å; H294-D323 IonicContact CD2-OD2 2.9Å; H294-D323 IonicContact CE1-OD2 3.92Å; H294-D323 IonicContact NE2-OD2 2.63Å; H294-D323 PolarHBondContact NE2-OD2 2.96Å
295N94.8Very high97.5Very high140 Ų14051.7 Ų51.775%0.74929%0.289SS*.G310 helixtrans53.938.3-177.5-166.535.7000112.3P293 R354P293-N295 PolarHBondContact O-N 3.06Å; P293-N295 VanDerWaalsContact O-N 3.11Å; N295-R354 PolarHBondContact O-NH1 2.92Å
296I97.4Very high97.6Very high9 Ų951.1 Ų51.15%0.04629%0.286CS..PPolyproline II helixtrans-71.3127.6172.8-70.5170.6000108.5P292 P293 H294 V320 F324 T341 V345P292-I296 HydrophobicContact CB-CB 4.06Å; P292-I296 HydrophobicContact CB-CG2 4.39Å; P292-I296 WeakPolarHBondContact CB-O 3.34Å; P293-I296 WeakPolarHBondContact O-CB 2.96Å; P293-I296 WeakPolarHBondContact O-CD1 3.49Å; P293-I296 VanDerWaalsContact O-CG1 3.24Å; P293-I296 WeakPolarHBondContact O-CG1 3.25Å; P293-I296 PolarHBondContact O-N 2.89Å; P293-I296 VanDerWaalsContact O-N 3.15Å; H294-I296 HydrophobicContact CB-CG1 4.41Å; H294-I296 PolarHBondContact O-N 2.82Å; I296-V320 HydrophobicContact CD1-CG1 3.94Å; I296-F324 HydrophobicContact CD1-CB 3.77Å; I296-F324 HydrophobicContact CD1-CD2 3.95Å; I296-F324 HydrophobicContact CD1-CG 3.9Å; I296-F324 HydrophobicContact CG2-CD2 4.16Å; I296-F324 HydrophobicContact CG2-CE2 4.01Å; I296-F324 HydrophobicContact CG2-CZ 4.42Å; I296-T341 HydrophobicContact CG2-CG2 3.25Å; I296-V345 HydrophobicContact CG1-CG2 4.42Å
297Q97.4Very high97.7Very high88 Ų8844.1 Ų44.141%0.41125%0.248SC..PPolyproline II helixtrans-90.2126.8172.9-178.4176.82.800109.2F299 T341Q297-F299 HydrophobicContact CB-CE2 4.2Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE2 3.93Å; Q297-F299 WeakPolarHBondContact O-CD2 3.47Å; Q297-T341 WeakPolarHBondContact O-CG2 3.21Å
298I98.4Very high97.7Very high15 Ų1540.2 Ų40.28%0.07723%0.225CC..PPolyproline II helixtrans-72.4135.4178.8-58.3-57.9000110.9P257 F265 P292 F324 W327 H337 T341P257-I298 VanDerWaalsContact CD-O 3.24Å; P257-I298 WeakPolarHBondContact CD-O 3.47Å; P257-I298 HydrophobicContact CG-CB 4.36Å; P257-I298 HydrophobicContact CG-CG2 4.05Å; P257-I298 WeakPolarHBondContact CG-O 3.19Å; F265-I298 HydrophobicContact CD1-CG2 4.08Å; F265-I298 HydrophobicContact CD2-CG1 4.12Å; F265-I298 HydrophobicContact CD2-CG2 4.27Å; F265-I298 HydrophobicContact CE1-CG2 3.78Å; F265-I298 HydrophobicContact CE2-CB 4.11Å; F265-I298 HydrophobicContact CE2-CG1 4.13Å; F265-I298 HydrophobicContact CE2-CG2 3.98Å; F265-I298 HydrophobicContact CG-CG2 4.31Å; F265-I298 HydrophobicContact CZ-CB 4.21Å; F265-I298 HydrophobicContact CZ-CG2 3.7Å; P292-I298 HydrophobicContact CB-CD1 4.16Å; P292-I298 HydrophobicContact CG-CD1 3.56Å; P292-I298 HydrophobicContact CG-CG1 3.65Å; I298-F324 HydrophobicContact CD1-CE2 3.59Å; I298-F324 HydrophobicContact CD1-CZ 3.78Å; I298-W327 HydrophobicContact CD1-CH2 3.89Å; I298-W327 HydrophobicContact CD1-CZ3 3.83Å; I298-W327 HydrophobicContact CG1-CH2 4.3Å; I298-H337 HydrophobicContact CG2-CB 4.27Å; I298-T341 HydrophobicContact CD1-CG2 4.24Å
299F98.6Very high97.8Very high0 Ų038 Ų380%021%0.206CC..  trans-123.2155.6164.6-70.9-102.2000108.8V255 K256 Q297 H337 A340 T341 R344 R354V255-F299 WeakPolarHBondContact O-CA 3.5Å; K256-F299 HydrophobicContact CG-CD1 4.44Å; K256-F299 HydrophobicContact CG-CE1 4Å; Q297-F299 HydrophobicContact CB-CE2 4.2Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE2 3.93Å; Q297-F299 WeakPolarHBondContact O-CD2 3.47Å; F299-H337 WeakPolarHBondContact O-CA 3.31Å; F299-H337 WeakPolarHBondContact O-CB 3.29Å; F299-A340 HydrophobicContact CB-CB 4.28Å; F299-A340 WeakPolarHBondContact CB-O 3.37Å; F299-T341 PolarHBondContact N-OG1 3.3Å; F299-T341 PolarHBondContact O-OG1 3.38Å; F299-R344 HydrophobicContact CB-CG 4.44Å; F299-R344 HydrophobicContact CD1-CG 4.07Å; F299-R344 HydrophobicContact CD2-CB 3.74Å; F299-R344 HydrophobicContact CD2-CG 3.66Å; F299-R344 HydrophobicContact CE1-CG 4.22Å; F299-R344 HydrophobicContact CE2-CB 3.69Å; F299-R344 HydrophobicContact CE2-CG 3.82Å; F299-R344 HydrophobicContact CG-CB 4.4Å; F299-R344 HydrophobicContact CG-CG 3.8Å; F299-R344 HydrophobicContact CZ-CB 4.3Å; F299-R344 HydrophobicContact CZ-CG 4.11Å; F299-R354 HydrophobicContact CZ-CB 4.47Å
300V98.6Very high97.8Very high5 Ų539.4 Ų39.43%0.0322%0.222CC..BIsolated β-bridgetrans-116.5156.1177.6-59.40000110.5T254 V255 P257 K261 F265 E336 H337T254-V300 WeakPolarHBondContact CA-O 3.38Å; V255-V300 HydrophobicContact CG2-CG2 3.57Å; V255-V300 PolarHBondContact N-O 3.39Å; V255-V300 PolarHBondContact O-N 3.42Å; P257-V300 HydrophobicContact CB-CG1 3.93Å; P257-V300 HydrophobicContact CG-CG1 4.1Å; K261-V300 HydrophobicContact CB-CG1 4.49Å; K261-V300 HydrophobicContact CD-CB 4.27Å; K261-V300 HydrophobicContact CD-CG1 4.22Å; K261-V300 HydrophobicContact CD-CG2 4.26Å; F265-V300 HydrophobicContact CE1-CG1 4.24Å; V300-E336 CarbonylContact C-O 3.53Å; V300-E336 WeakPolarHBondContact CA-O 3.34Å; V300-H337 HydrophobicContact CG1-CB 4.29Å
301G97.8Very high97.9Very high1 Ų131.5 Ų31.51%0.0119%0.185CC..  trans-168.4-142.5175.100000110.4E336G301-E336 PolarHBondContact N-O 2.71Å; G301-E336 WeakPolarHBondContact O-CB 3.45Å
302S97.3Very high98Very high25 Ų2527.6 Ų27.618%0.17515%0.153CC..  trans-109170.6176.975.80000112.2E253 Y304E253-S302 WeakPolarHBondContact OE2-CB 3.4Å; E253-S302 PolarHBondContact OE2-N 3.21Å; E253-S302 VanDerWaalsContact OE2-N 3.16Å; S302-Y304 PolarHBondContact O-N 2.92Å; S302-Y304 PolarHBondContact OG-N 3.23Å
303A98.1Very high98Very high11 Ų1130.5 Ų30.59%0.09116%0.162CC..SBendtrans-70.7-9.4172.100000113.3N225 D335N225-A303 PolarHBondContact ND2-O 2.68Å; A303-D335 HydrophobicContact CB-CB 3.92Å
304Y98.6Very high98.1Very high36 Ų3632.2 Ų32.214%0.14117%0.165CC..  trans-101.1134-169.8-54.1-63.1000112.5N225 S302 R367N225-Y304 VanDerWaalsContact OD1-CA 3.28Å; N225-Y304 WeakPolarHBondContact OD1-CA 3.46Å; S302-Y304 PolarHBondContact O-N 2.92Å; S302-Y304 PolarHBondContact OG-N 3.23Å; Y304-R367 HydrophobicContact CD2-CB 3.89Å; Y304-R367 HydrophobicContact CD2-CG 3.85Å; Y304-R367 HydrophobicContact CE2-CG 4.09Å; Y304-R367 HydrophobicContact CG-CB 4.25Å; Y304-R367 HydrophobicContact CG-CG 4.39Å
305F98.8Very high98.1Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-143.9158.6-17456.1-108.2000113D206 L210 V223 N225 L252 L307 W339D206-F305 HydrophobicContact CB-CE1 4.42Å; D206-F305 HydrophobicContact CB-CZ 4.32Å; L210-F305 HydrophobicContact CD1-CZ 4.06Å; L210-F305 HydrophobicContact CD2-CE2 4.34Å; L210-F305 HydrophobicContact CD2-CZ 4.45Å; V223-F305 HydrophobicContact CG1-CE2 4.25Å; N225-F305 HydrophobicContact CB-CD2 4.29Å; N225-F305 HydrophobicContact CB-CE1 3.98Å; N225-F305 HydrophobicContact CB-CE2 3.7Å; N225-F305 HydrophobicContact CB-CZ 3.53Å; N225-F305 VanDerWaalsContact CG-CE1 3.48Å; N225-F305 PolarHBondContact N-O 3.24Å; N225-F305 VanDerWaalsContact ND2-CE1 3.3Å; N225-F305 WeakPolarHBondContact ND2-CE1 3.38Å; N225-F305 PolarHBondContact OD1-N 3.06Å; N225-F305 PolarHBondContact OD1-O 2.91Å; L252-F305 HydrophobicContact CB-CB 4.13Å; L252-F305 HydrophobicContact CD2-CB 4.02Å; F305-L307 HydrophobicContact CB-CD1 4.36Å; F305-L307 HydrophobicContact CB-CD2 4.17Å; F305-L307 HydrophobicContact CB-CG 3.96Å; F305-L307 HydrophobicContact CD1-CD1 4.31Å; F305-L307 HydrophobicContact CD2-CB 4.32Å; F305-L307 HydrophobicContact CD2-CD1 3.48Å; F305-L307 VanDerWaalsContact CD2-CD1 3.48Å; F305-L307 HydrophobicContact CD2-CG 3.47Å; F305-L307 VanDerWaalsContact CD2-CG 3.47Å; F305-L307 HydrophobicContact CE2-CD1 3.72Å; F305-L307 HydrophobicContact CE2-CG 4.14Å; F305-L307 HydrophobicContact CG-CD1 3.79Å; F305-L307 HydrophobicContact CG-CG 3.83Å; F305-L307 HydrophobicContact CZ-CD1 4.23Å; F305-W339 AromaticContact CD1-CD1 3.74Å; F305-W339 AromaticContact CD1-CD2 3.83Å; F305-W339 HydrophobicContact CD1-CD2 3.83Å; F305-W339 AromaticContact CD1-CE2 3.7Å; F305-W339 AromaticContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CZ2 4.31Å; F305-W339 AromaticContact CD1-NE1 3.62Å; F305-W339 AromaticContact CE1-CD2 3.93Å; F305-W339 HydrophobicContact CE1-CD2 3.93Å; F305-W339 AromaticContact CE1-CE2 3.36Å; F305-W339 HydrophobicContact CE1-CG 4.34Å; F305-W339 HydrophobicContact CE1-CH2 4.28Å; F305-W339 AromaticContact CE1-CZ2 3.55Å; F305-W339 HydrophobicContact CE1-CZ2 3.55Å; F305-W339 AromaticContact CE1-NE1 3.46Å; F305-W339 HydrophobicContact CZ-CZ2 4.13Å
306V98.8Very high98.1Very high0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-122.9115.2157.4170.90000108Y222 V223 I224 L243 L246 M251 T366 W407Y222-V306 HydrophobicContact CD1-CG1 3.71Å; Y222-V306 HydrophobicContact CG-CG1 4.2Å; V223-V306 WeakPolarHBondContact O-CA 3.26Å; I224-V306 HydrophobicContact CB-CG2 4.36Å; I224-V306 HydrophobicContact CD1-CG2 4.24Å; I224-V306 HydrophobicContact CG1-CG2 3.89Å; I224-V306 HydrophobicContact CG2-CG2 4.07Å; L243-V306 HydrophobicContact CD2-CG1 3.49Å; L243-V306 VanDerWaalsContact CD2-CG1 3.49Å; L246-V306 HydrophobicContact CD1-CG1 4.12Å; M251-V306 HydrophobicContact CB-CB 4.29Å; M251-V306 PolarHBondContact N-O 3.3Å; M251-V306 PolarHBondContact O-N 3.15Å; V306-T366 HydrophobicContact CB-CG2 4.4Å; V306-T366 HydrophobicContact CG2-CG2 4.12Å; V306-W407 HydrophobicContact CB-CE3 4.5Å; V306-W407 HydrophobicContact CB-CZ3 3.83Å; V306-W407 HydrophobicContact CG1-CZ3 4.03Å; V306-W407 HydrophobicContact CG2-CE3 3.69Å; V306-W407 HydrophobicContact CG2-CZ3 3.51Å
307L98.8Very high98Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-119.3137.3-174.2-58.7173.7000110.5Y222 V223 N250 L252 F305 F311 V312 W339Y222-L307 CarbonylContact C-O 3.51Å; Y222-L307 VanDerWaalsContact CA-O 3.27Å; Y222-L307 WeakPolarHBondContact CA-O 3.21Å; Y222-L307 WeakPolarHBondContact CD1-O 3.46Å; V223-L307 HydrophobicContact CG1-CB 3.9Å; V223-L307 PolarHBondContact N-O 3.31Å; V223-L307 PolarHBondContact O-N 3.31Å; N250-L307 HydrophobicContact CB-CD2 4.03Å; N250-L307 WeakPolarHBondContact OD1-CA 3.46Å; L252-L307 HydrophobicContact CD2-CD2 3.56Å; F305-L307 HydrophobicContact CB-CD1 4.36Å; F305-L307 HydrophobicContact CB-CD2 4.17Å; F305-L307 HydrophobicContact CB-CG 3.96Å; F305-L307 HydrophobicContact CD1-CD1 4.31Å; F305-L307 HydrophobicContact CD2-CB 4.32Å; F305-L307 HydrophobicContact CD2-CD1 3.48Å; F305-L307 VanDerWaalsContact CD2-CD1 3.48Å; F305-L307 HydrophobicContact CD2-CG 3.47Å; F305-L307 VanDerWaalsContact CD2-CG 3.47Å; F305-L307 HydrophobicContact CE2-CD1 3.72Å; F305-L307 HydrophobicContact CE2-CG 4.14Å; F305-L307 HydrophobicContact CG-CD1 3.79Å; F305-L307 HydrophobicContact CG-CG 3.83Å; F305-L307 HydrophobicContact CZ-CD1 4.23Å; L307-F311 HydrophobicContact CB-CD1 4.09Å; L307-F311 HydrophobicContact CD1-CD1 3.85Å; L307-F311 HydrophobicContact CD1-CE1 3.78Å; L307-F311 HydrophobicContact CD2-CD1 3.8Å; L307-F311 HydrophobicContact CD2-CE1 3.77Å; L307-F311 HydrophobicContact CD2-CG 4.32Å; L307-F311 HydrophobicContact CD2-CZ 4.24Å; L307-F311 HydrophobicContact CG-CD1 4.11Å; L307-F311 HydrophobicContact CG-CE1 4.28Å; L307-V312 HydrophobicContact CB-CG2 3.94Å; L307-V312 HydrophobicContact CD1-CG2 4.43Å; L307-W339 HydrophobicContact CD1-CE3 4.11Å; L307-W339 HydrophobicContact CD1-CZ3 4.09Å
308S98.8Very high98Very high5 Ų527.3 Ų27.34%0.03514%0.142CC..EExtended strand (participates in β ladder)trans-66.8151.2172.468.80000110.6N250 A310 F311 V312N250-S308 PolarHBondContact OD1-N 3.22Å; N250-S308 PolarHBondContact OD1-OG 2.78Å; S308-A310 PolarHBondContact O-N 3.43Å; S308-F311 WeakPolarHBondContact O-CB 3.26Å; S308-F311 PolarHBondContact O-N 2.9Å; S308-F311 VanDerWaalsContact O-N 3.13Å; S308-F311 WeakPolarHBondContact OG-CB 3.49Å; S308-F311 PolarHBondContact OG-N 3.25Å; S308-F311 VanDerWaalsContact OG-N 3.16Å; S308-V312 WeakPolarHBondContact O-CG2 3.32Å; S308-V312 PolarHBondContact O-N 2.54Å; S308-V312 VanDerWaalsContact O-N 3.1Å
309Q98.5Very high97.9Very high30 Ų3030.5 Ų30.514%0.1417%0.166CC..Hα-helixtrans-57.7-34.4174.5-169.8-174.777.800112.2L214 W220 K221 V312 K313L214-Q309 HydrophobicContact CD2-CG 4.24Å; W220-Q309 HydrophobicContact CD2-CB 4.38Å; W220-Q309 HydrophobicContact CD2-CG 4.16Å; W220-Q309 HydrophobicContact CE3-CB 3.67Å; W220-Q309 HydrophobicContact CE3-CG 3.89Å; W220-Q309 HydrophobicContact CH2-CB 3.87Å; W220-Q309 HydrophobicContact CH2-CG 3.6Å; W220-Q309 HydrophobicContact CZ2-CG 3.85Å; W220-Q309 HydrophobicContact CZ3-CB 3.38Å; W220-Q309 HydrophobicContact CZ3-CG 3.62Å; W220-Q309 VanDerWaalsContact O-CD 3.27Å; W220-Q309 PolarHBondContact O-NE2 3.41Å; W220-Q309 VanDerWaalsContact O-NE2 3.07Å; K221-Q309 PolarHBondContact O-N 3.26Å; Q309-V312 PolarHBondContact O-N 3.18Å; Q309-K313 HydrophobicContact CG-CD 4.22Å; Q309-K313 HydrophobicContact CG-CG 4.47Å; Q309-K313 WeakPolarHBondContact O-CB 3.33Å; Q309-K313 WeakPolarHBondContact O-CG 3.03Å; Q309-K313 PolarHBondContact O-N 3.27Å
310A98.4Very high97.8Very high53 Ų5332.3 Ų32.344%0.43818%0.177SC..Hα-helixtrans-62.9-44.1176.900000111.8S308 K313 Y314 P349S308-A310 PolarHBondContact O-N 3.43Å; A310-K313 PolarHBondContact O-N 2.88Å; A310-Y314 WeakPolarHBondContact O-CB 3.42Å; A310-Y314 PolarHBondContact O-N 3.25Å; A310-P349 HydrophobicContact CB-CB 3.86Å; A310-P349 HydrophobicContact CB-CG 4.4Å
311F98.7Very high97.7Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-59.9-48.1174.5-178.4-82.4000111N250 L307 S308 K313 Y314 I315 L342 I348 P349N250-F311 VanDerWaalsContact ND2-CD2 3.34Å; N250-F311 WeakPolarHBondContact ND2-CD2 3.46Å; N250-F311 WeakPolarHBondContact OD1-CB 3.25Å; L307-F311 HydrophobicContact CB-CD1 4.09Å; L307-F311 HydrophobicContact CD1-CD1 3.85Å; L307-F311 HydrophobicContact CD1-CE1 3.78Å; L307-F311 HydrophobicContact CD2-CD1 3.8Å; L307-F311 HydrophobicContact CD2-CE1 3.77Å; L307-F311 HydrophobicContact CD2-CG 4.32Å; L307-F311 HydrophobicContact CD2-CZ 4.24Å; L307-F311 HydrophobicContact CG-CD1 4.11Å; L307-F311 HydrophobicContact CG-CE1 4.28Å; S308-F311 WeakPolarHBondContact O-CB 3.26Å; S308-F311 PolarHBondContact O-N 2.9Å; S308-F311 VanDerWaalsContact O-N 3.13Å; S308-F311 WeakPolarHBondContact OG-CB 3.49Å; S308-F311 PolarHBondContact OG-N 3.25Å; S308-F311 VanDerWaalsContact OG-N 3.16Å; F311-K313 PolarHBondContact O-N 2.88Å; F311-Y314 WeakPolarHBondContact O-CB 3.44Å; F311-Y314 PolarHBondContact O-N 3Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; F311-I315 HydrophobicContact CD1-CG2 4.04Å; F311-I315 HydrophobicContact CE1-CG2 3.65Å; F311-I315 HydrophobicContact CZ-CG2 4.06Å; F311-I315 PolarHBondContact O-N 2.82Å; F311-L342 HydrophobicContact CZ-CB 3.92Å; F311-I348 HydrophobicContact CD2-CD1 3.85Å; F311-I348 HydrophobicContact CD2-CG1 3.71Å; F311-I348 HydrophobicContact CD2-CG2 4.43Å; F311-I348 HydrophobicContact CE2-CD1 3.32Å; F311-I348 HydrophobicContact CE2-CG1 3.66Å; F311-I348 HydrophobicContact CE2-CG2 4.14Å; F311-I348 HydrophobicContact CZ-CD1 3.81Å; F311-P349 WeakPolarHBondContact CD2-O 3.42Å
312V98.6Very high97.7Very high0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-63.4-41.3-179.5-175.70000111.5L210 L214 W220 V223 L307 S308 Q309 Y314 I315 F316L210-V312 HydrophobicContact CB-CG1 3.96Å; L210-V312 HydrophobicContact CD2-CG1 4.24Å; L210-V312 HydrophobicContact CD2-CG2 4.33Å; L210-V312 HydrophobicContact CG-CG1 4.47Å; L214-V312 HydrophobicContact CD1-CG1 3.96Å; L214-V312 HydrophobicContact CD2-CB 4.43Å; L214-V312 HydrophobicContact CD2-CG1 4.11Å; L214-V312 HydrophobicContact CG-CG1 3.95Å; W220-V312 HydrophobicContact CH2-CB 4.04Å; W220-V312 HydrophobicContact CH2-CG1 4.25Å; W220-V312 HydrophobicContact CH2-CG2 4.1Å; V223-V312 HydrophobicContact CG1-CG2 3.66Å; L307-V312 HydrophobicContact CB-CG2 3.94Å; L307-V312 HydrophobicContact CD1-CG2 4.43Å; S308-V312 WeakPolarHBondContact O-CG2 3.32Å; S308-V312 PolarHBondContact O-N 2.54Å; S308-V312 VanDerWaalsContact O-N 3.1Å; Q309-V312 PolarHBondContact O-N 3.18Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.35Å; V312-I315 WeakPolarHBondContact O-CG1 3.47Å; V312-F316 HydrophobicContact CG1-CD2 4.29Å; V312-F316 HydrophobicContact CG1-CE2 3.98Å; V312-F316 VanDerWaalsContact O-CD2 3.28Å; V312-F316 WeakPolarHBondContact O-CD2 3.49Å
313K98.1Very high97.7Very high87 Ų8738.4 Ų38.438%0.37821%0.205SC..Hα-helixtrans-60.9-38.5173.5-77.1174172.31680112.2L214 Q309 A310 F311 N317L214-K313 HydrophobicContact CD1-CG 4.4Å; L214-K313 HydrophobicContact CD2-CD 4.42Å; L214-K313 HydrophobicContact CD2-CG 3.46Å; L214-K313 VanDerWaalsContact CD2-CG 3.46Å; Q309-K313 HydrophobicContact CG-CD 4.22Å; Q309-K313 HydrophobicContact CG-CG 4.47Å; Q309-K313 WeakPolarHBondContact O-CB 3.33Å; Q309-K313 WeakPolarHBondContact O-CG 3.03Å; Q309-K313 PolarHBondContact O-N 3.27Å; A310-K313 PolarHBondContact O-N 2.88Å; F311-K313 PolarHBondContact O-N 2.88Å; K313-N317 PolarHBondContact O-ND2 2.89Å; K313-N317 VanDerWaalsContact O-ND2 3.09Å
314Y98Very high97.7Very high71 Ų7137.9 Ų37.928%0.27820%0.2SC..Hα-helixtrans-67.2-44.9-178.8-173.7-88.6000112.3A310 F311 V312 F316 N317 N318 I321 I348 P349A310-Y314 WeakPolarHBondContact O-CB 3.42Å; A310-Y314 PolarHBondContact O-N 3.25Å; F311-Y314 WeakPolarHBondContact O-CB 3.44Å; F311-Y314 PolarHBondContact O-N 3Å; F311-Y314 VanDerWaalsContact O-N 3.1Å; V312-Y314 VanDerWaalsContact C-N 3.29Å; V312-Y314 PolarHBondContact O-N 3.35Å; Y314-F316 VanDerWaalsContact C-N 3.27Å; Y314-F316 PolarHBondContact O-N 2.91Å; Y314-N317 PolarHBondContact O-N 2.73Å; Y314-N317 VanDerWaalsContact O-N 3.12Å; Y314-N318 HydrophobicContact CD1-CB 4.17Å; Y314-N318 HydrophobicContact CE1-CB 3.95Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.43Å; Y314-N318 VanDerWaalsContact O-CB 3.3Å; Y314-N318 WeakPolarHBondContact O-CB 3.46Å; Y314-N318 PolarHBondContact O-N 3.27Å; Y314-N318 PolarHBondContact OH-ND2 3.03Å; Y314-I321 HydrophobicContact CE1-CG1 4.36Å; Y314-I348 HydrophobicContact CD1-CD1 3.89Å; Y314-I348 HydrophobicContact CD1-CG1 3.6Å; Y314-I348 HydrophobicContact CE1-CB 4.31Å; Y314-I348 HydrophobicContact CE1-CD1 4.1Å; Y314-I348 HydrophobicContact CE1-CG1 3.8Å; Y314-I348 HydrophobicContact CG-CG1 4.34Å; Y314-P349 HydrophobicContact CD2-CG 4.07Å; Y314-P349 HydrophobicContact CG-CG 4.1Å
315I96.8Very high97.7Very high2 Ų237.1 Ų37.11%0.0120%0.198CC..Hα-helixtrans-62.5-31.1-17661.7169.5000113.5L207 L210 F311 V312 I321 Q322 W339 L342 I348L207-I315 HydrophobicContact CD2-CD1 4.19Å; L210-I315 HydrophobicContact CD1-CD1 4.4Å; F311-I315 HydrophobicContact CD1-CG2 4.04Å; F311-I315 HydrophobicContact CE1-CG2 3.65Å; F311-I315 HydrophobicContact CZ-CG2 4.06Å; F311-I315 PolarHBondContact O-N 2.82Å; V312-I315 WeakPolarHBondContact O-CG1 3.47Å; I315-I321 HydrophobicContact CB-CG2 3.89Å; I315-I321 HydrophobicContact CG2-CG2 4.14Å; I315-Q322 PolarHBondContact O-NE2 2.88Å; I315-Q322 VanDerWaalsContact O-NE2 3.09Å; I315-W339 HydrophobicContact CD1-CH2 4.32Å; I315-W339 HydrophobicContact CD1-CZ3 3.96Å; I315-L342 HydrophobicContact CG2-CD1 3.93Å; I315-I348 HydrophobicContact CG2-CD1 4.21Å
316F96.4Very high97.7Very high58 Ų5839.5 Ų39.525%0.25422%0.218SC..Hα-helixtrans-82-17.9178.5-74-71.4000113.9L207 L210 L214 V312 Y314L207-F316 HydrophobicContact CB-CZ 4.46Å; L207-F316 HydrophobicContact CD2-CE1 4.37Å; L207-F316 HydrophobicContact CD2-CZ 4.03Å; L207-F316 WeakPolarHBondContact O-CZ 3.06Å; L210-F316 HydrophobicContact CB-CE2 3.84Å; L210-F316 HydrophobicContact CB-CZ 4.02Å; L214-F316 HydrophobicContact CD1-CD2 3.56Å; L214-F316 HydrophobicContact CD1-CE2 4.12Å; L214-F316 HydrophobicContact CD1-CG 4.42Å; V312-F316 HydrophobicContact CG1-CD2 4.29Å; V312-F316 HydrophobicContact CG1-CE2 3.98Å; V312-F316 VanDerWaalsContact O-CD2 3.28Å; V312-F316 WeakPolarHBondContact O-CD2 3.49Å; Y314-F316 VanDerWaalsContact C-N 3.27Å; Y314-F316 PolarHBondContact O-N 2.91Å
317N95.3Very high97.7Very high143 Ų14341 Ų4177%0.76522%0.224SC*.Hα-helixtrans-110.56.7-174.6-67.7-34.8000113.5K313 Y314K313-N317 PolarHBondContact O-ND2 2.89Å; K313-N317 VanDerWaalsContact O-ND2 3.09Å; Y314-N317 PolarHBondContact O-N 2.73Å; Y314-N317 VanDerWaalsContact O-N 3.12Å
318N96.8Very high97.6Very high31 Ų3141 Ų4117%0.16622%0.224CC..  trans-118.3121.8-174.8-173-63.5000111.6Y314 V320 I321 Q322Y314-N318 HydrophobicContact CD1-CB 4.17Å; Y314-N318 HydrophobicContact CE1-CB 3.95Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.43Å; Y314-N318 VanDerWaalsContact O-CB 3.3Å; Y314-N318 WeakPolarHBondContact O-CB 3.46Å; Y314-N318 PolarHBondContact O-N 3.27Å; Y314-N318 PolarHBondContact OH-ND2 3.03Å; N318-V320 PolarHBondContact O-N 2.91Å; N318-V320 WeakPolarHBondContact OD1-CA 3.35Å; N318-V320 WeakPolarHBondContact OD1-CB 3.38Å; N318-V320 PolarHBondContact OD1-N 3.21Å; N318-I321 HydrophobicContact CB-CB 4.43Å; N318-I321 HydrophobicContact CB-CG1 3.84Å; N318-I321 PolarHBondContact O-N 3.05Å; N318-I321 PolarHBondContact OD1-N 3.49Å; N318-Q322 PolarHBondContact O-N 3.23Å
319S96.5Very high97.6Very high83 Ų8346 Ų4658%0.5824%0.244SC*.Hα-helixtrans-64.7-34.5-177.656.50000113.7I321 Q322 D323S319-I321 PolarHBondContact O-N 2.95Å; S319-Q322 PolarHBondContact O-N 3.06Å; S319-Q322 VanDerWaalsContact O-N 3.11Å; S319-D323 VanDerWaalsContact O-CG 3.31Å; S319-D323 PolarHBondContact O-N 3.4Å
320V96.5Very high97.5Very high38 Ų3846.9 Ų46.923%0.2325%0.25CS..Hα-helixtrans-58.7-38.7176.2172.40000110.7H294 I296 N318 F324H294-V320 HydrophobicContact CB-CG1 3.84Å; I296-V320 HydrophobicContact CD1-CG1 3.94Å; N318-V320 PolarHBondContact O-N 2.91Å; N318-V320 WeakPolarHBondContact OD1-CA 3.35Å; N318-V320 WeakPolarHBondContact OD1-CB 3.38Å; N318-V320 PolarHBondContact OD1-N 3.21Å; V320-F324 WeakPolarHBondContact O-CB 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å
321I96.7Very high97.5Very high3 Ų344.5 Ų44.52%0.01523%0.23CC..Hα-helixtrans-72.7-37.3178.6-51.2-63.1000111.3Y314 I315 N318 S319 F324 F325 F338 L342 I348Y314-I321 HydrophobicContact CE1-CG1 4.36Å; I315-I321 HydrophobicContact CB-CG2 3.89Å; I315-I321 HydrophobicContact CG2-CG2 4.14Å; N318-I321 HydrophobicContact CB-CB 4.43Å; N318-I321 HydrophobicContact CB-CG1 3.84Å; N318-I321 PolarHBondContact O-N 3.05Å; N318-I321 PolarHBondContact OD1-N 3.49Å; S319-I321 PolarHBondContact O-N 2.95Å; I321-F324 PolarHBondContact O-N 3.2Å; I321-F325 WeakPolarHBondContact O-CB 3.45Å; I321-F325 PolarHBondContact O-N 2.95Å; I321-F338 HydrophobicContact CG2-CZ 4.36Å; I321-L342 HydrophobicContact CD1-CD1 4.32Å; I321-L342 HydrophobicContact CD1-CD2 3.5Å; I321-L342 HydrophobicContact CD1-CG 4.45Å; I321-L342 HydrophobicContact CG2-CD1 3.67Å; I321-L342 HydrophobicContact CG2-CD2 4.22Å; I321-I348 HydrophobicContact CD1-CD1 4.17Å
322Q96.7Very high97.5Very high82 Ų8247 Ų4738%0.38324%0.24SC..Hα-helixtrans-65.6-40.9175.3-61.9-56.1-43.900111.8I315 N318 S319 F325 A326I315-Q322 PolarHBondContact O-NE2 2.88Å; I315-Q322 VanDerWaalsContact O-NE2 3.09Å; N318-Q322 PolarHBondContact O-N 3.23Å; S319-Q322 PolarHBondContact O-N 3.06Å; S319-Q322 VanDerWaalsContact O-N 3.11Å; Q322-F325 PolarHBondContact O-N 2.84Å; Q322-A326 WeakPolarHBondContact O-CB 3.4Å; Q322-A326 PolarHBondContact O-N 3.01Å
323D98.1Very high97.5Very high73 Ų7347.2 Ų47.239%0.3924%0.241SC..Hα-helixtrans-64.8-42.5175.4-66.1-20.8000111.2P293 H294 S319 A326 W327P293-D323 HydrophobicContact CB-CB 4.31Å; P293-D323 HydrophobicContact CG-CB 4.06Å; H294-D323 IonicContact CD2-OD2 2.9Å; H294-D323 IonicContact CE1-OD2 3.92Å; H294-D323 IonicContact NE2-OD2 2.63Å; H294-D323 PolarHBondContact NE2-OD2 2.96Å; S319-D323 VanDerWaalsContact O-CG 3.31Å; S319-D323 PolarHBondContact O-N 3.4Å; D323-A326 PolarHBondContact O-N 3.46Å; D323-W327 WeakPolarHBondContact O-CB 3.27Å; D323-W327 PolarHBondContact O-N 2.91Å
324F98.4Very high97.5Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-64.3-41.8175.3-175.8-118.3000112.2P292 P293 I296 I298 V320 I321 A326 W327 S328 F338 T341 L342P292-F324 HydrophobicContact CB-CD2 4.39Å; P292-F324 HydrophobicContact CB-CE2 4.25Å; P293-F324 HydrophobicContact CG-CB 4.45Å; I296-F324 HydrophobicContact CD1-CB 3.77Å; I296-F324 HydrophobicContact CD1-CD2 3.95Å; I296-F324 HydrophobicContact CD1-CG 3.9Å; I296-F324 HydrophobicContact CG2-CD2 4.16Å; I296-F324 HydrophobicContact CG2-CE2 4.01Å; I296-F324 HydrophobicContact CG2-CZ 4.42Å; I298-F324 HydrophobicContact CD1-CE2 3.59Å; I298-F324 HydrophobicContact CD1-CZ 3.78Å; V320-F324 WeakPolarHBondContact O-CB 3.38Å; V320-F324 PolarHBondContact O-N 3.48Å; I321-F324 PolarHBondContact O-N 3.2Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.83Å; F324-W327 AromaticContact CD2-CE3 4Å; F324-W327 HydrophobicContact CD2-CE3 4Å; F324-W327 AromaticContact CE2-CE3 3.66Å; F324-W327 HydrophobicContact CE2-CE3 3.66Å; F324-W327 AromaticContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CZ-CZ3 4.41Å; F324-W327 WeakPolarHBondContact O-CB 3.41Å; F324-W327 PolarHBondContact O-N 3.43Å; F324-S328 PolarHBondContact O-N 3.49Å; F324-S328 PolarHBondContact O-OG 2.99Å; F324-F338 AromaticContact CD1-CD2 3.66Å; F324-F338 HydrophobicContact CD1-CD2 3.66Å; F324-F338 AromaticContact CD1-CE2 3.64Å; F324-F338 HydrophobicContact CD1-CE2 3.64Å; F324-F338 AromaticContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CE2 4.05Å; F324-F338 HydrophobicContact CE1-CG 4.32Å; F324-T341 HydrophobicContact CE1-CG2 3.8Å; F324-T341 HydrophobicContact CE2-CG2 4.16Å; F324-T341 HydrophobicContact CZ-CG2 3.48Å; F324-T341 VanDerWaalsContact CZ-CG2 3.48Å; F324-L342 HydrophobicContact CD1-CD2 3.5Å; F324-L342 VanDerWaalsContact CD1-CD2 3.5Å; F324-L342 HydrophobicContact CD1-CG 4.26Å; F324-L342 HydrophobicContact CE1-CD2 3.94Å; F324-L342 HydrophobicContact CE1-CG 4.38Å; F324-L342 HydrophobicContact CG-CD2 4.43Å
325F98.1Very high97.5Very high20 Ų2040.6 Ų40.69%0.08822%0.215CC..Hα-helixtrans-60.5-44.1174176.8-108.4000111.9I200 L203 L207 I321 Q322 W327 S328 K329 F338I200-F325 HydrophobicContact CD1-CD2 4.49Å; I200-F325 HydrophobicContact CD1-CE2 3.87Å; I200-F325 HydrophobicContact CG1-CE2 4.14Å; I200-F325 HydrophobicContact CG1-CZ 4.32Å; L203-F325 HydrophobicContact CD2-CD2 4.02Å; L203-F325 HydrophobicContact CD2-CE2 3.93Å; L203-F325 HydrophobicContact CG-CE2 4.26Å; L207-F325 HydrophobicContact CD1-CD2 3.7Å; L207-F325 HydrophobicContact CD1-CE2 3.34Å; L207-F325 HydrophobicContact CD1-CG 4.49Å; L207-F325 HydrophobicContact CD1-CZ 3.88Å; I321-F325 WeakPolarHBondContact O-CB 3.45Å; I321-F325 PolarHBondContact O-N 2.95Å; Q322-F325 PolarHBondContact O-N 2.84Å; F325-W327 VanDerWaalsContact C-N 3.32Å; F325-W327 PolarHBondContact O-N 3.34Å; F325-S328 PolarHBondContact O-N 3.21Å; F325-K329 PolarHBondContact O-N 3.25Å; F325-F338 HydrophobicContact CB-CE2 3.77Å; F325-F338 HydrophobicContact CB-CZ 4.07Å; F325-F338 AromaticContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CZ 4.09Å; F325-F338 HydrophobicContact CG-CE2 4.38Å
326A98.2Very high97.6Very high51 Ų5142.7 Ų42.742%0.42123%0.225SC..Hα-helixtrans-60.5-42.917500000111.7Q322 D323 F324 S328 K329Q322-A326 WeakPolarHBondContact O-CB 3.4Å; Q322-A326 PolarHBondContact O-N 3.01Å; D323-A326 PolarHBondContact O-N 3.46Å; F324-A326 VanDerWaalsContact C-N 3.34Å; F324-A326 PolarHBondContact O-N 2.83Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 3.46Å; A326-K329 WeakPolarHBondContact O-CB 3.33Å; A326-K329 PolarHBondContact O-N 3.15Å
327W98.5Very high97.7Very high32 Ų3240.1 Ų40.112%0.12121%0.213CC..Hα-helixtrans-62.7-34.4175.6177.594000112.9F265 K289 E290 P292 P293 I298 D323 F324 F325 K329 T331F265-W327 HydrophobicContact CB-CH2 3.89Å; F265-W327 HydrophobicContact CB-CZ3 4.49Å; F265-W327 HydrophobicContact CD2-CH2 4.49Å; F265-W327 WeakPolarHBondContact O-CZ2 3.34Å; K289-W327 VanDerWaalsContact CE-CE2 3.49Å; K289-W327 WeakPolarHBondContact CE-O 3.23Å; K289-W327 PolarHBondContact NZ-O 3.19Å; E290-W327 PolarHBondContact O-NE1 3.12Å; P292-W327 HydrophobicContact CB-CD2 4.48Å; P292-W327 HydrophobicContact CB-CH2 4.47Å; P292-W327 HydrophobicContact CB-CZ2 4.31Å; P292-W327 HydrophobicContact CG-CH2 3.83Å; P292-W327 HydrophobicContact CG-CZ2 3.74Å; P292-W327 HydrophobicContact CG-CZ3 4.4Å; P293-W327 HydrophobicContact CG-CB 4.29Å; I298-W327 HydrophobicContact CD1-CH2 3.89Å; I298-W327 HydrophobicContact CD1-CZ3 3.83Å; I298-W327 HydrophobicContact CG1-CH2 4.3Å; D323-W327 WeakPolarHBondContact O-CB 3.27Å; D323-W327 PolarHBondContact O-N 2.91Å; F324-W327 AromaticContact CD2-CE3 4Å; F324-W327 HydrophobicContact CD2-CE3 4Å; F324-W327 AromaticContact CE2-CE3 3.66Å; F324-W327 HydrophobicContact CE2-CE3 3.66Å; F324-W327 AromaticContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CE2-CZ3 3.76Å; F324-W327 HydrophobicContact CZ-CZ3 4.41Å; F324-W327 WeakPolarHBondContact O-CB 3.41Å; F324-W327 PolarHBondContact O-N 3.43Å; F325-W327 VanDerWaalsContact C-N 3.32Å; F325-W327 PolarHBondContact O-N 3.34Å; W327-K329 VanDerWaalsContact C-N 3.32Å; W327-K329 PolarHBondContact O-N 3.3Å; W327-T331 HydrophobicContact CH2-CG2 4.43Å; W327-T331 HydrophobicContact CZ3-CG2 4.19Å
328S98.2Very high97.8Very high0 Ų033.4 Ų33.40%018%0.178CC..Hα-helixtrans-75.2-11.8-179.9-70.60000114.8F324 F325 A326 D330 T331F324-S328 PolarHBondContact O-N 3.49Å; F324-S328 PolarHBondContact O-OG 2.99Å; F325-S328 PolarHBondContact O-N 3.21Å; A326-S328 VanDerWaalsContact C-N 3.31Å; A326-S328 PolarHBondContact O-N 3.46Å; S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 3.45Å; S328-D330 VanDerWaalsContact O-N 3.16Å; S328-T331 PolarHBondContact O-N 3.01Å; S328-T331 PolarHBondContact O-OG1 2.75Å
329K98Very high97.9Very high108 Ų10832 Ų3247%0.4717%0.17SC..THydrogen-bonded Turntrans-58.5-32.7-169.9-76.4179.4177175.30115.3I200 F325 A326 W327I200-K329 HydrophobicContact CG1-CG 4.21Å; F325-K329 PolarHBondContact O-N 3.25Å; A326-K329 WeakPolarHBondContact O-CB 3.33Å; A326-K329 PolarHBondContact O-N 3.15Å; W327-K329 VanDerWaalsContact C-N 3.32Å; W327-K329 PolarHBondContact O-N 3.3Å
330D97.5Very high98Very high49 Ų4928.1 Ų28.126%0.26214%0.143SC..THydrogen-bonded Turntrans-115.232.5-177.257.85.1000111.7H268 H269 K289 S328H268-D330 CarbonylContact C-O 3.56Å; H268-D330 IonicContact CE1-OD2 3.81Å; H268-D330 PolarHBondContact CE1-OD2 3.47Å; H268-D330 VanDerWaalsContact CE1-OD2 3.27Å; H268-D330 IonicContact CG-OD2 3.32Å; H268-D330 IonicContact ND1-OD1 2.64Å; H268-D330 IonicContact ND1-OD2 2.69Å; H268-D330 PolarHBondContact ND1-OD2 3.28Å; H269-D330 PolarHBondContact N-O 3.29Å; K289-D330 IonicContact NZ-OD1 3.27Å; K289-D330 PolarHBondContact NZ-OD1 3Å; S328-D330 VanDerWaalsContact C-N 3.27Å; S328-D330 PolarHBondContact O-N 3.45Å; S328-D330 VanDerWaalsContact O-N 3.16Å
331T98.3Very high98.1Very high3 Ų326.3 Ų26.32%0.01813%0.132CC..SBendtrans-98.8165.8168.363.90000110.8R264 F265 K289 W327 S328 P334 H337R264-T331 WeakPolarHBondContact O-CB 3.47Å; F265-T331 HydrophobicContact CB-CG2 4.08Å; K289-T331 HydrophobicContact CD-CG2 3.96Å; W327-T331 HydrophobicContact CH2-CG2 4.43Å; W327-T331 HydrophobicContact CZ3-CG2 4.19Å; S328-T331 PolarHBondContact O-N 3.01Å; S328-T331 PolarHBondContact O-OG1 2.75Å; T331-P334 WeakPolarHBondContact OG1-CB 3.35Å; T331-H337 PolarHBondContact OG1-CE1 3.17Å; T331-H337 PolarHBondContact OG1-NE2 2.97Å
332Y98.3Very high98.2Very high53 Ų5326.1 Ų26.121%0.20813%0.131CC..SBendtrans-91.6127.9174.1-170.1-81.1000111.2A198 R264 H269 P282A198-Y332 HydrophobicContact CB-CD1 4.18Å; A198-Y332 HydrophobicContact CB-CD2 4.32Å; A198-Y332 HydrophobicContact CB-CE1 3.73Å; A198-Y332 HydrophobicContact CB-CE2 3.88Å; A198-Y332 HydrophobicContact CB-CG 4.45Å; R264-Y332 HydrophobicContact CG-CD1 4.01Å; R264-Y332 HydrophobicContact CG-CG 4.43Å; R264-Y332 PolarHBondContact O-N 3.38Å; H269-Y332 AromaticContact CD2-CD2 3.87Å; P282-Y332 HydrophobicContact CB-CD2 4Å
333S98.1Very high98.3Very high4 Ų422.2 Ų22.23%0.02811%0.113CC..SBendtrans48.660.7-175-62.10000112.9A198 D335 E336 H337A198-S333 VanDerWaalsContact CB-OG 3.31Å; A198-S333 WeakPolarHBondContact CB-OG 3.32Å; A198-S333 WeakPolarHBondContact O-CA 3.22Å; A198-S333 PolarHBondContact O-N 3.45Å; S333-D335 VanDerWaalsContact C-OD1 3.23Å; S333-D335 WeakPolarHBondContact CA-OD1 3.28Å; S333-D335 PolarHBondContact O-N 3.11Å; S333-E336 PolarHBondContact O-N 3.27Å; S333-H337 PolarHBondContact O-ND1 3.41Å
334P98.4Very high98.3Very high0 Ų018.9 Ų18.90%010%0.095CC..G310 helixtrans-58.1-29.2176.722.5-31.9000113.9I200 L203 T331 E336 H337 F338I200-P334 HydrophobicContact CB-CG 4.01Å; I200-P334 HydrophobicContact CD1-CB 3.67Å; I200-P334 HydrophobicContact CD1-CG 3.48Å; I200-P334 VanDerWaalsContact CD1-CG 3.48Å; I200-P334 HydrophobicContact CG1-CG 4.34Å; L203-P334 HydrophobicContact CD2-CB 4.25Å; T331-P334 WeakPolarHBondContact OG1-CB 3.35Å; P334-E336 PolarHBondContact O-N 3Å; P334-H337 WeakPolarHBondContact CA-CE1 3.49Å; P334-H337 PolarHBondContact O-N 3.26Å; P334-H337 VanDerWaalsContact O-N 3.15Å; P334-F338 WeakPolarHBondContact O-CB 3.39Å; P334-F338 PolarHBondContact O-N 3.13Å
335D98.1Very high98.2Very high19 Ų1919.5 Ų19.510%0.10210%0.098CC..G310 helixtrans-58.7-27.1172.555.5-43.5000113.6R202 A303 S333R202-D335 HydrophobicContact CG-CB 4.29Å; A303-D335 HydrophobicContact CB-CB 3.92Å; S333-D335 VanDerWaalsContact C-OD1 3.23Å; S333-D335 WeakPolarHBondContact CA-OD1 3.28Å; S333-D335 PolarHBondContact O-N 3.11Å
336E98.3Very high98.1Very high47 Ų4722.4 Ų22.422%0.2212%0.119CC..G310 helixtrans-88.32.8177.3-71.1-172.8-148.300114.6K261 R264 V300 G301 S333 P334K261-E336 IonicContact NZ-OE2 3.81Å; K261-E336 PolarHBondContact NZ-OE2 3.14Å; R264-E336 IonicContact CZ-OE2 3.4Å; R264-E336 IonicContact NH1-OE1 3.58Å; R264-E336 IonicContact NH1-OE2 3.48Å; R264-E336 PolarHBondContact NH1-OE2 3.35Å; V300-E336 CarbonylContact C-O 3.53Å; V300-E336 WeakPolarHBondContact CA-O 3.34Å; G301-E336 PolarHBondContact N-O 2.71Å; G301-E336 WeakPolarHBondContact O-CB 3.45Å; S333-E336 PolarHBondContact O-N 3.27Å; P334-E336 PolarHBondContact O-N 3Å
337H98.6Very high97.9Very high3 Ų322.7 Ų22.71%0.01413%0.127CC..THydrogen-bonded Turntrans-139.5-22.9174.462.5-99.3000114.3I298 F299 V300 T331 S333 P334 T341I298-H337 HydrophobicContact CG2-CB 4.27Å; F299-H337 WeakPolarHBondContact O-CA 3.31Å; F299-H337 WeakPolarHBondContact O-CB 3.29Å; V300-H337 HydrophobicContact CG1-CB 4.29Å; T331-H337 PolarHBondContact OG1-CE1 3.17Å; T331-H337 PolarHBondContact OG1-NE2 2.97Å; S333-H337 PolarHBondContact O-ND1 3.41Å; P334-H337 WeakPolarHBondContact CA-CE1 3.49Å; P334-H337 PolarHBondContact O-N 3.26Å; P334-H337 VanDerWaalsContact O-N 3.15Å; H337-T341 WeakPolarHBondContact O-CB 3.43Å; H337-T341 PolarHBondContact O-N 3.44Å; H337-T341 PolarHBondContact O-OG1 2.79Å
338F98.6Very high97.9Very high3 Ų321.3 Ų21.31%0.01312%0.122CC..Hα-helixtrans-60.3-56.9-178.4-175.7-97.8000111.7L203 I321 F324 F325 P334 T341 L342L203-F338 HydrophobicContact CD1-CB 4.34Å; L203-F338 HydrophobicContact CD1-CD1 3.68Å; L203-F338 HydrophobicContact CD1-CE1 4.24Å; L203-F338 HydrophobicContact CD1-CG 4.18Å; L203-F338 HydrophobicContact CD2-CB 3.67Å; L203-F338 HydrophobicContact CD2-CD1 3.71Å; L203-F338 HydrophobicContact CD2-CD2 3.81Å; L203-F338 HydrophobicContact CD2-CE1 4.24Å; L203-F338 HydrophobicContact CD2-CE2 4.36Å; L203-F338 HydrophobicContact CD2-CG 3.45Å; L203-F338 VanDerWaalsContact CD2-CG 3.45Å; L203-F338 HydrophobicContact CG-CD1 4.31Å; L203-F338 HydrophobicContact CG-CG 4.47Å; I321-F338 HydrophobicContact CG2-CZ 4.36Å; F324-F338 AromaticContact CD1-CD2 3.66Å; F324-F338 HydrophobicContact CD1-CD2 3.66Å; F324-F338 AromaticContact CD1-CE2 3.64Å; F324-F338 HydrophobicContact CD1-CE2 3.64Å; F324-F338 AromaticContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CD2 3.58Å; F324-F338 HydrophobicContact CE1-CE2 4.05Å; F324-F338 HydrophobicContact CE1-CG 4.32Å; F325-F338 HydrophobicContact CB-CE2 3.77Å; F325-F338 HydrophobicContact CB-CZ 4.07Å; F325-F338 AromaticContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CE2 3.96Å; F325-F338 HydrophobicContact CD2-CZ 4.09Å; F325-F338 HydrophobicContact CG-CE2 4.38Å; P334-F338 WeakPolarHBondContact O-CB 3.39Å; P334-F338 PolarHBondContact O-N 3.13Å; F338-T341 PolarHBondContact O-N 3.03Å; F338-L342 HydrophobicContact CD1-CD1 4.03Å; F338-L342 HydrophobicContact CD1-CG 4.41Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.21Å; F338-L342 HydrophobicContact CE2-CD1 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.5Å; F338-L342 HydrophobicContact CZ-CD1 3.54Å; F338-L342 HydrophobicContact CZ-CG 4.27Å; F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.04Å
339W98.6Very high97.9Very high1 Ų123.1 Ų23.10%0.00413%0.134CC..Hα-helixtrans-64.3-45.9-179.4-54.7119.8000112.6L203 D206 L207 L210 L252 F305 L307 I315 T341 L342 I343L203-W339 HydrophobicContact CD1-CD2 4.38Å; L203-W339 HydrophobicContact CD1-CH2 4.12Å; L203-W339 HydrophobicContact CD1-CZ2 3.26Å; D206-W339 HydrophobicContact CB-CZ2 4.25Å; L207-W339 HydrophobicContact CD2-CH2 3.74Å; L207-W339 HydrophobicContact CG-CH2 4.3Å; L210-W339 HydrophobicContact CD1-CH2 3.67Å; L210-W339 HydrophobicContact CD1-CZ2 4.34Å; L210-W339 HydrophobicContact CD1-CZ3 4.38Å; L252-W339 HydrophobicContact CD1-CB 4.23Å; F305-W339 AromaticContact CD1-CD1 3.74Å; F305-W339 AromaticContact CD1-CD2 3.83Å; F305-W339 HydrophobicContact CD1-CD2 3.83Å; F305-W339 AromaticContact CD1-CE2 3.7Å; F305-W339 AromaticContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CG 3.85Å; F305-W339 HydrophobicContact CD1-CZ2 4.31Å; F305-W339 AromaticContact CD1-NE1 3.62Å; F305-W339 AromaticContact CE1-CD2 3.93Å; F305-W339 HydrophobicContact CE1-CD2 3.93Å; F305-W339 AromaticContact CE1-CE2 3.36Å; F305-W339 HydrophobicContact CE1-CG 4.34Å; F305-W339 HydrophobicContact CE1-CH2 4.28Å; F305-W339 AromaticContact CE1-CZ2 3.55Å; F305-W339 HydrophobicContact CE1-CZ2 3.55Å; F305-W339 AromaticContact CE1-NE1 3.46Å; F305-W339 HydrophobicContact CZ-CZ2 4.13Å; L307-W339 HydrophobicContact CD1-CE3 4.11Å; L307-W339 HydrophobicContact CD1-CZ3 4.09Å; I315-W339 HydrophobicContact CD1-CH2 4.32Å; I315-W339 HydrophobicContact CD1-CZ3 3.96Å; W339-T341 PolarHBondContact O-N 2.88Å; W339-L342 PolarHBondContact O-N 2.9Å; W339-I343 PolarHBondContact O-N 3.22Å; W339-I343 VanDerWaalsContact O-N 3.15Å
340A98.6Very high97.8Very high1 Ų119.1 Ų19.11%0.00812%0.123CC..Hα-helixtrans-59.5-34.4178.100000112.7L252 E253 T254 F299 I343 R344L252-A340 HydrophobicContact CD1-CB 4.38Å; E253-A340 WeakPolarHBondContact O-CB 3.45Å; T254-A340 PolarHBondContact OG1-O 3.1Å; F299-A340 HydrophobicContact CB-CB 4.28Å; F299-A340 WeakPolarHBondContact CB-O 3.37Å; A340-I343 WeakPolarHBondContact O-CG2 3.28Å; A340-R344 WeakPolarHBondContact O-CG 3.46Å
341T98.6Very high97.8Very high0 Ų021.1 Ų21.10%013%0.131CC..Hα-helixtrans-76.3-47.2175.4-63.70000111.3I296 Q297 I298 F299 F324 H337 F338 W339 I343 R344I296-T341 HydrophobicContact CG2-CG2 3.25Å; Q297-T341 WeakPolarHBondContact O-CG2 3.21Å; I298-T341 HydrophobicContact CD1-CG2 4.24Å; F299-T341 PolarHBondContact N-OG1 3.3Å; F299-T341 PolarHBondContact O-OG1 3.38Å; F324-T341 HydrophobicContact CE1-CG2 3.8Å; F324-T341 HydrophobicContact CE2-CG2 4.16Å; F324-T341 HydrophobicContact CZ-CG2 3.48Å; F324-T341 VanDerWaalsContact CZ-CG2 3.48Å; H337-T341 WeakPolarHBondContact O-CB 3.43Å; H337-T341 PolarHBondContact O-N 3.44Å; H337-T341 PolarHBondContact O-OG1 2.79Å; F338-T341 PolarHBondContact O-N 3.03Å; W339-T341 PolarHBondContact O-N 2.88Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.22Å; T341-R344 PolarHBondContact O-N 3.47Å
342L98.2Very high97.7Very high0 Ų022.8 Ų22.80%014%0.139CC..Hα-helixtrans-61-41.1-174.9-74-163.5000112.9F311 I315 I321 F324 F338 W339 R344 V345 I348F311-L342 HydrophobicContact CZ-CB 3.92Å; I315-L342 HydrophobicContact CG2-CD1 3.93Å; I321-L342 HydrophobicContact CD1-CD1 4.32Å; I321-L342 HydrophobicContact CD1-CD2 3.5Å; I321-L342 HydrophobicContact CD1-CG 4.45Å; I321-L342 HydrophobicContact CG2-CD1 3.67Å; I321-L342 HydrophobicContact CG2-CD2 4.22Å; F324-L342 HydrophobicContact CD1-CD2 3.5Å; F324-L342 VanDerWaalsContact CD1-CD2 3.5Å; F324-L342 HydrophobicContact CD1-CG 4.26Å; F324-L342 HydrophobicContact CE1-CD2 3.94Å; F324-L342 HydrophobicContact CE1-CG 4.38Å; F324-L342 HydrophobicContact CG-CD2 4.43Å; F338-L342 HydrophobicContact CD1-CD1 4.03Å; F338-L342 HydrophobicContact CD1-CG 4.41Å; F338-L342 HydrophobicContact CE1-CD1 3.42Å; F338-L342 VanDerWaalsContact CE1-CD1 3.42Å; F338-L342 HydrophobicContact CE1-CG 4.21Å; F338-L342 HydrophobicContact CE2-CD1 4.22Å; F338-L342 HydrophobicContact CE2-CG 4.5Å; F338-L342 HydrophobicContact CZ-CD1 3.54Å; F338-L342 HydrophobicContact CZ-CG 4.27Å; F338-L342 WeakPolarHBondContact O-CG 3.47Å; F338-L342 PolarHBondContact O-N 3.04Å; W339-L342 PolarHBondContact O-N 2.9Å; L342-R344 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact O-N 3.09Å; L342-V345 HydrophobicContact CD2-CG2 4.31Å; L342-V345 WeakPolarHBondContact O-CB 3.38Å; L342-V345 PolarHBondContact O-N 3.43Å; L342-I348 HydrophobicContact CB-CD1 4.43Å; L342-I348 WeakPolarHBondContact O-CG2 3.47Å
343I98Very high97.6Very high0 Ų022.8 Ų22.80%015%0.147CC..THydrogen-bonded Turntrans-61.9-18.5177.8-162.3174.2000113N250 L252 T254 W339 A340 T341 E351 I352N250-I343 HydrophobicContact CB-CD1 3.64Å; N250-I343 HydrophobicContact CB-CG1 4.35Å; L252-I343 HydrophobicContact CD1-CB 4.45Å; L252-I343 HydrophobicContact CD1-CD1 4.48Å; L252-I343 HydrophobicContact CD1-CG2 3.87Å; L252-I343 HydrophobicContact CD2-CB 4.35Å; L252-I343 HydrophobicContact CD2-CD1 3.77Å; L252-I343 HydrophobicContact CG-CD1 3.88Å; L252-I343 HydrophobicContact CG-CG2 4.39Å; T254-I343 HydrophobicContact CG2-CG2 3.84Å; W339-I343 PolarHBondContact O-N 3.22Å; W339-I343 VanDerWaalsContact O-N 3.15Å; A340-I343 WeakPolarHBondContact O-CG2 3.28Å; T341-I343 VanDerWaalsContact C-N 3.34Å; T341-I343 PolarHBondContact O-N 3.22Å; I343-E351 WeakPolarHBondContact O-CA 3.5Å; I343-I352 HydrophobicContact CD1-CD1 3.55Å; I343-I352 HydrophobicContact CD1-CG1 3.79Å; I343-I352 HydrophobicContact CG1-CD1 4.19Å; I343-I352 HydrophobicContact CG1-CG1 3.98Å; I343-I352 PolarHBondContact O-N 2.93Å
344R98.1Very high97.5Very high3 Ų325.7 Ų25.71%0.01116%0.157CC..THydrogen-bonded Turntrans-97.55177.7-54.7-66.6-168.5154.1-3.2113.2T254 F299 A340 T341 L342 P346 I352 S353 R354 A356 Q357T254-R344 PolarHBondContact O-NH2 3.47Å; T254-R344 WeakPolarHBondContact OG1-CG 3.47Å; T254-R344 PolarHBondContact OG1-NE 3.17Å; F299-R344 HydrophobicContact CB-CG 4.44Å; F299-R344 HydrophobicContact CD1-CG 4.07Å; F299-R344 HydrophobicContact CD2-CB 3.74Å; F299-R344 HydrophobicContact CD2-CG 3.66Å; F299-R344 HydrophobicContact CE1-CG 4.22Å; F299-R344 HydrophobicContact CE2-CB 3.69Å; F299-R344 HydrophobicContact CE2-CG 3.82Å; F299-R344 HydrophobicContact CG-CB 4.4Å; F299-R344 HydrophobicContact CG-CG 3.8Å; F299-R344 HydrophobicContact CZ-CB 4.3Å; F299-R344 HydrophobicContact CZ-CG 4.11Å; A340-R344 WeakPolarHBondContact O-CG 3.46Å; T341-R344 PolarHBondContact O-N 3.47Å; L342-R344 PolarHBondContact O-N 3.32Å; L342-R344 VanDerWaalsContact O-N 3.09Å; R344-P346 WeakPolarHBondContact O-CD 3.48Å; R344-I352 WeakPolarHBondContact CA-O 3.38Å; R344-I352 WeakPolarHBondContact CD-O 3.33Å; R344-S353 PolarHBondContact NH1-O 3.15Å; R344-R354 HydrophobicContact CB-CG 4.34Å; R344-R354 WeakPolarHBondContact O-CG 3.41Å; R344-R354 PolarHBondContact O-NE 2.8Å; R344-A356 PolarHBondContact NH1-O 3.22Å; R344-Q357 PolarHBondContact NH1-O 3.35Å; R344-Q357 PolarHBondContact NH2-O 3.46Å
345V97.1Very high97.3Very high13 Ų1331 Ų318%0.07919%0.194CC..SBendtrans-78.6122.8175.8175.40000109.6I296 L342 G347 I348I296-V345 HydrophobicContact CG1-CG2 4.42Å; L342-V345 HydrophobicContact CD2-CG2 4.31Å; L342-V345 WeakPolarHBondContact O-CB 3.38Å; L342-V345 PolarHBondContact O-N 3.43Å; V345-G347 PolarHBondContact O-N 2.99Å; V345-I348 WeakPolarHBondContact O-CB 3.32Å; V345-I348 VanDerWaalsContact O-CG2 3.23Å; V345-I348 WeakPolarHBondContact O-CG2 3.48Å; V345-I348 PolarHBondContact O-N 3.01Å
346P95.8Very high97.2Very high81 Ų8131.9 Ų31.953%0.52620%0.204SC..THydrogen-bonded Turntrans-58.1134.6-179.1-25.935.2000112.5R344 E351R344-P346 WeakPolarHBondContact O-CD 3.48Å; P346-E351 VanDerWaalsContact CA-OE2 3.29Å; P346-E351 WeakPolarHBondContact CA-OE2 3.23Å
347G94.4Very high97.2Very high56 Ų5637.3 Ų37.358%0.57723%0.23SC*.THydrogen-bonded Turntrans84.8-0-179.900000115V345 E351V345-G347 PolarHBondContact O-N 2.99Å; G347-E351 PolarHBondContact N-OE2 3.31Å
348I97.2Very high97.1Very high4 Ų439.6 Ų39.62%0.02124%0.242CC..  trans-74.2142.2176.2-158157.9000110.8F311 Y314 I315 I321 L342 V345 G350 E351F311-I348 HydrophobicContact CD2-CD1 3.85Å; F311-I348 HydrophobicContact CD2-CG1 3.71Å; F311-I348 HydrophobicContact CD2-CG2 4.43Å; F311-I348 HydrophobicContact CE2-CD1 3.32Å; F311-I348 HydrophobicContact CE2-CG1 3.66Å; F311-I348 HydrophobicContact CE2-CG2 4.14Å; F311-I348 HydrophobicContact CZ-CD1 3.81Å; Y314-I348 HydrophobicContact CD1-CD1 3.89Å; Y314-I348 HydrophobicContact CD1-CG1 3.6Å; Y314-I348 HydrophobicContact CE1-CB 4.31Å; Y314-I348 HydrophobicContact CE1-CD1 4.1Å; Y314-I348 HydrophobicContact CE1-CG1 3.8Å; Y314-I348 HydrophobicContact CG-CG1 4.34Å; I315-I348 HydrophobicContact CG2-CD1 4.21Å; I321-I348 HydrophobicContact CD1-CD1 4.17Å; L342-I348 HydrophobicContact CB-CD1 4.43Å; L342-I348 WeakPolarHBondContact O-CG2 3.47Å; V345-I348 WeakPolarHBondContact O-CB 3.32Å; V345-I348 VanDerWaalsContact O-CG2 3.23Å; V345-I348 WeakPolarHBondContact O-CG2 3.48Å; V345-I348 PolarHBondContact O-N 3.01Å; I348-G350 PolarHBondContact O-N 3.14Å; I348-E351 HydrophobicContact CG2-CB 3.71Å; I348-E351 WeakPolarHBondContact O-CB 3.44Å; I348-E351 PolarHBondContact O-N 3Å; I348-E351 VanDerWaalsContact O-N 3.1Å
349P98.3Very high97.1Very high38 Ų3840.7 Ų40.725%0.24725%0.249CC..THydrogen-bonded Turntrans-60.2124.9179.7-27.536.4000113N250 A310 F311 Y314N250-P349 PolarHBondContact ND2-O 2.96Å; A310-P349 HydrophobicContact CB-CB 3.86Å; A310-P349 HydrophobicContact CB-CG 4.4Å; F311-P349 WeakPolarHBondContact CD2-O 3.42Å; Y314-P349 HydrophobicContact CD2-CG 4.07Å; Y314-P349 HydrophobicContact CG-CG 4.1Å
350G97.3Very high97Very high24 Ų2442.3 Ų42.325%0.24726%0.26CS..THydrogen-bonded Turntrans7132.1-177.100000113.3G248 N250 I348G248-G350 WeakPolarHBondContact O-CA 3.37Å; N250-G350 WeakPolarHBondContact ND2-CA 3.48Å; N250-G350 PolarHBondContact ND2-O 2.96Å; I348-G350 PolarHBondContact O-N 3.14Å
351E96.1Very high96.9Very high91 Ų9144.3 Ų44.343%0.42527%0.271SS..  trans-55.7151.8176.871.3176.8-157.800113I343 P346 G347 I348I343-E351 WeakPolarHBondContact O-CA 3.5Å; P346-E351 VanDerWaalsContact CA-OE2 3.29Å; P346-E351 WeakPolarHBondContact CA-OE2 3.23Å; G347-E351 PolarHBondContact N-OE2 3.31Å; I348-E351 HydrophobicContact CG2-CB 3.71Å; I348-E351 WeakPolarHBondContact O-CB 3.44Å; I348-E351 PolarHBondContact O-N 3Å; I348-E351 VanDerWaalsContact O-N 3.1Å
352I97Very high96.7Very high38 Ų3847.3 Ų47.320%0.19529%0.287CS..  trans-111122.9159.9-53.2175.3000106.1T254 I343 R344 A356 V359T254-I352 HydrophobicContact CG2-CD1 4.02Å; I343-I352 HydrophobicContact CD1-CD1 3.55Å; I343-I352 HydrophobicContact CD1-CG1 3.79Å; I343-I352 HydrophobicContact CG1-CD1 4.19Å; I343-I352 HydrophobicContact CG1-CG1 3.98Å; I343-I352 PolarHBondContact O-N 2.93Å; R344-I352 WeakPolarHBondContact CA-O 3.38Å; R344-I352 WeakPolarHBondContact CD-O 3.33Å; I352-A356 HydrophobicContact CG2-CB 3.98Å; I352-V359 HydrophobicContact CD1-CG2 4.19Å
353S96.2Very high96.7Very high53 Ų5352 Ų5237%0.37131%0.309SS..  trans-53144.2-177.5172.10000112.2R344 S355 A356R344-S353 PolarHBondContact NH1-O 3.15Å; S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 PolarHBondContact OG-N 3.25Å; S353-S355 PolarHBondContact OG-OG 3.26Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 3.11Å
354R95.1Very high96.6Very high65 Ų6552 Ų5225%0.24531%0.309CS..THydrogen-bonded Turntrans-57.5-29.2173.7-63.2-177.2-178.1-176.31.1113.1N295 F299 R344N295-R354 PolarHBondContact O-NH1 2.92Å; F299-R354 HydrophobicContact CZ-CB 4.47Å; R344-R354 HydrophobicContact CB-CG 4.34Å; R344-R354 WeakPolarHBondContact O-CG 3.41Å; R344-R354 PolarHBondContact O-NE 2.8Å
355S95.1Very high96.5Very high110 Ų11055.5 Ų55.577%0.76932%0.324SS*.THydrogen-bonded Turntrans-91.1-9.9179.459.40000113.6S353S353-S355 PolarHBondContact O-N 3.15Å; S353-S355 PolarHBondContact OG-N 3.25Å; S353-S355 PolarHBondContact OG-OG 3.26Å
356A96.4Very high96.5Very high39 Ų3955.1 Ų55.132%0.32232%0.321SS..SBendtrans-67.5159.8175.600000110.7R344 I352 S353R344-A356 PolarHBondContact NH1-O 3.22Å; I352-A356 HydrophobicContact CG2-CB 3.98Å; S353-A356 WeakPolarHBondContact O-CB 3.24Å; S353-A356 PolarHBondContact O-N 3.11Å
357Q97Very high96.6Very high161 Ų16151.6 Ų51.675%0.75230%0.298SS*.PPolyproline II helixtrans-56.2148.1177-166.9171.36.600111.2R344R344-Q357 PolarHBondContact NH1-O 3.35Å; R344-Q357 PolarHBondContact NH2-O 3.46Å
358D97.7Very high96.8Very high51 Ų5149 Ų4927%0.27327%0.271SS..PPolyproline II helixtrans-60.1142.4171.5-76.33.2000109.8V255 K256 Q363V255-D358 HydrophobicContact CB-CB 3.99Å; V255-D358 HydrophobicContact CG1-CB 3.94Å; K256-D358 PolarHBondContact N-OD1 2.72Å; K256-D358 PolarHBondContact N-OD2 2.86Å; D358-Q363 PolarHBondContact O-OE1 2.86Å
359V98.2Very high96.9Very high25 Ų2549.8 Ų49.815%0.15228%0.275CS..BIsolated β-bridgetrans-106.8104.3174.6-178.40000106.9E253 T254 V255 I352 Q363E253-V359 WeakPolarHBondContact CA-O 3.1Å; T254-V359 HydrophobicContact CG2-CB 4.11Å; T254-V359 HydrophobicContact CG2-CG2 4.28Å; T254-V359 PolarHBondContact N-O 3.24Å; T254-V359 PolarHBondContact O-N 3.37Å; V255-V359 VanDerWaalsContact CG1-O 3.28Å; V255-V359 WeakPolarHBondContact CG1-O 3.49Å; I352-V359 HydrophobicContact CD1-CG2 4.19Å; V359-Q363 HydrophobicContact CG1-CB 4.02Å
360S97.4Very high96.9Very high35 Ų3548 Ų4825%0.24526%0.264CS..  trans-71.8170.517876.70000111.9L362 Q363 S364S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact OG-N 2.99Å; S360-Q363 PolarHBondContact O-N 3.2Å; S360-Q363 VanDerWaalsContact O-N 3.15Å; S360-Q363 PolarHBondContact OG-N 2.8Å; S360-S364 WeakPolarHBondContact O-CB 3.36Å; S360-S364 PolarHBondContact O-N 2.97Å
361D95.4Very high96.9Very high43 Ų4350.8 Ų50.823%0.2327%0.267CS..THydrogen-bonded Turntrans-53.9-46.4171.361.8-21.4000112.3Q363 S364 H406D361-Q363 VanDerWaalsContact C-N 3.27Å; D361-Q363 PolarHBondContact O-N 3.02Å; D361-S364 CarbonylContact O-C 3.54Å; D361-S364 PolarHBondContact O-N 2.71Å; D361-H406 PolarHBondContact O-NE2 2.88Å
362L95.3Very high96.9Very high64 Ų6449.7 Ų49.734%0.33526%0.264SS..THydrogen-bonded Turntrans-66.4-23.2177.7-63.1174.9000114.6S360 F378 Y379S360-L362 VanDerWaalsContact C-N 3.33Å; S360-L362 PolarHBondContact O-N 3.23Å; S360-L362 PolarHBondContact OG-N 2.99Å; L362-F378 HydrophobicContact CD1-CB 3.88Å; L362-F378 HydrophobicContact CD1-CD1 4.29Å; L362-F378 HydrophobicContact CD1-CD2 4.48Å; L362-F378 HydrophobicContact CD1-CG 3.99Å; L362-Y379 HydrophobicContact CD2-CD1 4.17Å; L362-Y379 HydrophobicContact CD2-CE1 4.36Å
363Q96.8Very high96.9Very high98 Ų9853.5 Ų53.546%0.45828%0.277SS..THydrogen-bonded Turntrans-88.8-30.7175-67.3173.5-44.400111.1D358 V359 S360 D361 K365D358-Q363 PolarHBondContact O-OE1 2.86Å; V359-Q363 HydrophobicContact CG1-CB 4.02Å; S360-Q363 PolarHBondContact O-N 3.2Å; S360-Q363 VanDerWaalsContact O-N 3.15Å; S360-Q363 PolarHBondContact OG-N 2.8Å; D361-Q363 VanDerWaalsContact C-N 3.27Å; D361-Q363 PolarHBondContact O-N 3.02Å; Q363-K365 PolarHBondContact O-N 2.84Å
364S96Very high97Very high0 Ų055.8 Ų55.80%028%0.278CS..  trans-74103.7174.1175.10000110.3L252 E253 S360 D361 T366 H406L252-S364 WeakPolarHBondContact CA-OG 3.38Å; E253-S364 PolarHBondContact N-OG 3.16Å; S360-S364 WeakPolarHBondContact O-CB 3.36Å; S360-S364 PolarHBondContact O-N 2.97Å; D361-S364 CarbonylContact O-C 3.54Å; D361-S364 PolarHBondContact O-N 2.71Å; S364-T366 PolarHBondContact O-N 3.19Å; S364-T366 WeakPolarHBondContact OG-CG2 3.5Å; S364-T366 PolarHBondContact OG-OG1 3.37Å; S364-H406 PolarHBondContact O-CD2 3Å; S364-H406 PolarHBondContact O-NE2 2.9Å
365K97.3Very high97Very high76 Ų7654.4 Ų54.433%0.3327%0.274SS..THydrogen-bonded Turntrans-63-4.3178.4-65.6-176.4169.7-179.20115E242 M251 Q363 W407E242-K365 IonicContact OE2-NZ 3.72Å; E242-K365 PolarHBondContact OE2-NZ 3.03Å; M251-K365 HydrophobicContact CG-CB 4.49Å; Q363-K365 PolarHBondContact O-N 2.84Å; K365-W407 HydrophobicContact CB-CD2 3.84Å; K365-W407 HydrophobicContact CB-CE3 4.25Å; K365-W407 HydrophobicContact CB-CG 4.28Å; K365-W407 HydrophobicContact CB-CH2 4.21Å; K365-W407 HydrophobicContact CB-CZ2 3.82Å; K365-W407 HydrophobicContact CB-CZ3 4.41Å; K365-W407 HydrophobicContact CD-CZ2 3.89Å; K365-W407 HydrophobicContact CG-CZ2 4.49Å; K365-W407 PolarHBondContact O-N 3.16Å
366T97.4Very high97.1Very high5 Ų552.4 Ų52.43%0.03127%0.271CS..THydrogen-bonded Turntrans-61.4-46.9-174.858.30000113.4M251 V306 S364M251-T366 HydrophobicContact CB-CG2 4.25Å; M251-T366 HydrophobicContact CG-CG2 3.84Å; M251-T366 WeakPolarHBondContact O-CG2 3.32Å; V306-T366 HydrophobicContact CB-CG2 4.4Å; V306-T366 HydrophobicContact CG2-CG2 4.12Å; S364-T366 PolarHBondContact O-N 3.19Å; S364-T366 WeakPolarHBondContact OG-CG2 3.5Å; S364-T366 PolarHBondContact OG-OG1 3.37Å
367R98.1Very high97Very high8 Ų858.5 Ų58.53%0.0329%0.29CS..  trans-150.8118.7-173.5-162.276.867.7-160.2-15.2112.1N225 D230 Y304 V369 F408 N410N225-R367 PolarHBondContact O-NH2 2.73Å; D230-R367 VanDerWaalsContact CB-NH1 3.31Å; D230-R367 WeakPolarHBondContact OD1-CD 3.4Å; D230-R367 IonicContact OD1-CZ 3.24Å; D230-R367 IonicContact OD1-NE 3.47Å; D230-R367 PolarHBondContact OD1-NE 2.87Å; D230-R367 IonicContact OD1-NH1 2.7Å; D230-R367 PolarHBondContact OD1-NH1 3.47Å; D230-R367 IonicContact OD2-CZ 2.83Å; D230-R367 IonicContact OD2-NE 3.66Å; D230-R367 IonicContact OD2-NH1 3.41Å; D230-R367 PolarHBondContact OD2-NH1 2.88Å; D230-R367 IonicContact OD2-NH2 2.7Å; D230-R367 PolarHBondContact OD2-NH2 3.19Å; Y304-R367 HydrophobicContact CD2-CB 3.89Å; Y304-R367 HydrophobicContact CD2-CG 3.85Å; Y304-R367 HydrophobicContact CE2-CG 4.09Å; Y304-R367 HydrophobicContact CG-CB 4.25Å; Y304-R367 HydrophobicContact CG-CG 4.39Å; R367-V369 HydrophobicContact CB-CG2 4.31Å; R367-V369 HydrophobicContact CG-CG2 3.64Å; R367-F408 CarbonylContact C-O 3.44Å; R367-F408 WeakPolarHBondContact CA-O 3.22Å; R367-N410 HydrophobicContact CG-CB 3.87Å
368L98.2Very high96.9Very high1 Ų156.9 Ų56.91%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-78.2120.7164.6-175.757.1000109.5L233 Y393 W400 L401 D404 H406 F408 A409 N410L233-L368 HydrophobicContact CD1-CB 4.29Å; L233-L368 HydrophobicContact CD1-CD2 4.19Å; L368-Y393 PolarHBondContact O-OH 3.42Å; L368-Y393 VanDerWaalsContact O-OH 3.12Å; L368-W400 HydrophobicContact CD1-CH2 4Å; L368-W400 HydrophobicContact CD2-CH2 3.7Å; L368-W400 HydrophobicContact CD2-CZ3 3.7Å; L368-W400 HydrophobicContact CG-CH2 4.19Å; L368-W400 HydrophobicContact CG-CZ3 4.46Å; L368-L401 HydrophobicContact CD2-CD2 3.8Å; L368-D404 HydrophobicContact CD2-CB 4.07Å; L368-D404 WeakPolarHBondContact CD2-OD2 3.41Å; L368-H406 HydrophobicContact CB-CB 3.77Å; L368-F408 PolarHBondContact N-O 3.12Å; L368-A409 HydrophobicContact CB-CB 4.21Å; L368-A409 CarbonylContact O-C 3.58Å; L368-A409 VanDerWaalsContact O-CA 3.31Å; L368-A409 WeakPolarHBondContact O-CA 3.36Å; L368-N410 PolarHBondContact O-N 2.92Å
369V98.1Very high96.8Very high20 Ų2055 Ų5512%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-131.1126175.4-172.10000108.5R367 V390 N410R367-V369 HydrophobicContact CB-CG2 4.31Å; R367-V369 HydrophobicContact CG-CG2 3.64Å; V369-V390 HydrophobicContact CG1-CG1 3.71Å; V369-V390 HydrophobicContact CG1-CG2 4.35Å; V369-N410 HydrophobicContact CG2-CB 4.05Å
370K97.9Very high96.7Very high0 Ų056.8 Ų56.80%028%0.283CS..  trans-97.1117172.8-68176.367.5172.20110.9Y379 P380 G381 V390 C391 Y393 E397 W400K370-Y379 HydrophobicContact CB-CD2 4.1Å; K370-Y379 HydrophobicContact CB-CE2 3.76Å; K370-Y379 HydrophobicContact CD-CD2 4.04Å; K370-Y379 HydrophobicContact CD-CG 4.31Å; K370-Y379 VanDerWaalsContact CE-CD2 3.48Å; K370-Y379 HydrophobicContact CG-CD1 4.15Å; K370-Y379 HydrophobicContact CG-CD2 3.65Å; K370-Y379 HydrophobicContact CG-CE1 4.29Å; K370-Y379 HydrophobicContact CG-CE2 3.81Å; K370-Y379 HydrophobicContact CG-CG 3.83Å; K370-P380 WeakPolarHBondContact CE-O 3.08Å; K370-P380 PolarHBondContact NZ-O 2.75Å; K370-G381 PolarHBondContact NZ-O 2.04Å; K370-V390 CarbonylContact O-C 3.57Å; K370-V390 WeakPolarHBondContact O-CA 3.45Å; K370-C391 HydrophobicContact CB-CB 3.67Å; K370-C391 PolarHBondContact O-N 2.83Å; K370-Y393 HydrophobicContact CB-CE1 4.47Å; K370-Y393 HydrophobicContact CD-CD1 4.3Å; K370-Y393 HydrophobicContact CD-CE1 3.52Å; K370-Y393 HydrophobicContact CG-CE1 3.93Å; K370-Y393 PolarHBondContact N-OH 3.18Å; K370-E397 IonicContact NZ-OE1 3.57Å; K370-E397 PolarHBondContact NZ-OE1 3.02Å; K370-W400 HydrophobicContact CD-CH2 3.9Å; K370-W400 HydrophobicContact CD-CZ3 3.78Å; K370-W400 HydrophobicContact CG-CH2 4.19Å; K370-W400 HydrophobicContact CG-CZ3 4.42Å
371W97.7Very high96.7Very high83 Ų8357.1 Ų57.131%0.31429%0.292SS..BIsolated β-bridgetrans-88.6128.3166.2-58.393.1000110.9Y373 Y374 E375 Y379 S389 V390W371-Y373 HydrophobicContact CB-CD1 4.44Å; W371-Y373 HydrophobicContact CB-CD2 4.17Å; W371-Y373 HydrophobicContact CB-CE1 3.99Å; W371-Y373 HydrophobicContact CB-CE2 3.7Å; W371-Y373 HydrophobicContact CD2-CE1 4.39Å; W371-Y373 AromaticContact CD2-CZ 3.88Å; W371-Y373 VanDerWaalsContact CD2-OH 3.25Å; W371-Y373 AromaticContact CE3-CE1 3.83Å; W371-Y373 HydrophobicContact CE3-CE1 3.83Å; W371-Y373 AromaticContact CE3-CZ 3.71Å; W371-Y373 HydrophobicContact CG-CE2 4.2Å; W371-Y373 AromaticContact CG-CZ 3.87Å; W371-Y373 PolarHBondContact O-N 3.38Å; W371-Y373 VanDerWaalsContact O-N 3.16Å; W371-Y374 HydrophobicContact CB-CD2 4.08Å; W371-Y374 PolarHBondContact O-N 3.02Å; W371-E375 PolarHBondContact O-N 2.75Å; W371-Y379 WeakPolarHBondContact CA-OH 3.32Å; W371-Y379 WeakPolarHBondContact CB-OH 3.38Å; W371-Y379 PolarHBondContact N-OH 2.99Å; W371-Y379 WeakPolarHBondContact O-CE2 3.32Å; W371-Y379 PolarHBondContact O-OH 2.63Å; W371-S389 CarbonylContact C-O 3.5Å; W371-S389 WeakPolarHBondContact CA-O 3.45Å; W371-V390 HydrophobicContact CD2-CG2 4.49Å; W371-V390 HydrophobicContact CE3-CG2 3.97Å; W371-V390 HydrophobicContact CH2-CG2 4.04Å; W371-V390 HydrophobicContact CZ3-CG2 3.73Å
372N97.5Very high96.8Very high68 Ų6856.2 Ų56.236%0.36429%0.288SS..G310 helixtrans-56.7-34.3-174.271.6-23000113.9Y374 E375 H386 S389N372-Y374 PolarHBondContact O-N 2.82Å; N372-E375 WeakPolarHBondContact CA-OE1 3.43Å; N372-E375 PolarHBondContact O-N 3.4Å; N372-H386 VanDerWaalsContact CB-CD2 3.5Å; N372-H386 WeakPolarHBondContact CB-CD2 3.34Å; N372-S389 PolarHBondContact N-O 3.16Å; N372-S389 WeakPolarHBondContact OD1-CB 3.46Å
373Y96.7Very high96.9Very high119 Ų11955.4 Ų55.447%0.46729%0.286SS..G310 helixtrans-75.3-5.1-179.548.2-103.4000114.4W371W371-Y373 HydrophobicContact CB-CD1 4.44Å; W371-Y373 HydrophobicContact CB-CD2 4.17Å; W371-Y373 HydrophobicContact CB-CE1 3.99Å; W371-Y373 HydrophobicContact CB-CE2 3.7Å; W371-Y373 HydrophobicContact CD2-CE1 4.39Å; W371-Y373 AromaticContact CD2-CZ 3.88Å; W371-Y373 VanDerWaalsContact CD2-OH 3.25Å; W371-Y373 AromaticContact CE3-CE1 3.83Å; W371-Y373 HydrophobicContact CE3-CE1 3.83Å; W371-Y373 AromaticContact CE3-CZ 3.71Å; W371-Y373 HydrophobicContact CG-CE2 4.2Å; W371-Y373 AromaticContact CG-CZ 3.87Å; W371-Y373 PolarHBondContact O-N 3.38Å; W371-Y373 VanDerWaalsContact O-N 3.16Å
374Y97.2Very high96.9Very high101 Ų10151.4 Ų51.440%0.39627%0.271SS..G310 helixtrans-116.20.1174.8-68.1-38000113.3W371 N372 F377 F378 Y379W371-Y374 HydrophobicContact CB-CD2 4.08Å; W371-Y374 PolarHBondContact O-N 3.02Å; N372-Y374 PolarHBondContact O-N 2.82Å; Y374-F377 PolarHBondContact O-N 3.19Å; Y374-F377 VanDerWaalsContact O-N 3.12Å; Y374-F378 HydrophobicContact CD1-CD2 4.01Å; Y374-F378 AromaticContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD2-CD2 4.11Å; Y374-F378 HydrophobicContact CD2-CE2 4.23Å; Y374-F378 HydrophobicContact CE1-CE2 4.04Å; Y374-F378 HydrophobicContact CE2-CE2 4.48Å; Y374-F378 AromaticContact CG-CD2 3.71Å; Y374-F378 HydrophobicContact CG-CD2 3.71Å; Y374-F378 AromaticContact CG-CE2 3.85Å; Y374-F378 HydrophobicContact CG-CE2 3.85Å; Y374-F378 PolarHBondContact O-N 3.4Å; Y374-F378 VanDerWaalsContact O-N 3.16Å; Y374-Y379 VanDerWaalsContact CB-OH 3.29Å; Y374-Y379 WeakPolarHBondContact CB-OH 3.36Å
375E96.5Very high96.9Very high36 Ų3653.5 Ų53.517%0.16829%0.286CS..BIsolated β-bridgetrans-63.8136.8174.1-68.2178.6-16200110.7W371 N372 F377 Y379 C382 H386W371-E375 PolarHBondContact O-N 2.75Å; N372-E375 WeakPolarHBondContact CA-OE1 3.43Å; N372-E375 PolarHBondContact O-N 3.4Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.5Å; E375-Y379 HydrophobicContact CB-CE2 4.38Å; E375-Y379 HydrophobicContact CG-CD2 3.94Å; E375-Y379 HydrophobicContact CG-CE2 3.64Å; E375-C382 WeakPolarHBondContact OE1-CB 3.39Å; E375-C382 WeakPolarHBondContact OE2-CB 3.43Å; E375-C382 PolarHBondContact OE2-N 2.8Å; E375-H386 IonicContact OE1-CD2 2.69Å; E375-H386 IonicContact OE1-CE1 3.43Å; E375-H386 IonicContact OE1-NE2 2.73Å; E375-H386 PolarHBondContact OE1-NE2 2.95Å; E375-H386 IonicContact OE2-CE1 3.57Å; E375-H386 IonicContact OE2-NE2 3.4Å; E375-H386 PolarHBondContact OE2-NE2 2.68Å
376G95.4Very high97Very high67 Ų6753.9 Ų53.969%0.69129%0.289SS*.THydrogen-bonded Turntrans84.7-12.4-172.500000114.5Y379G376-Y379 PolarHBondContact N-O 2.99Å
377F95.4Very high96.9Very high168 Ų16857.6 Ų57.674%0.73731%0.308SS*.THydrogen-bonded Turntrans-104.7-59.8176.8-60.4-83.2000111.9Y374 E375Y374-F377 PolarHBondContact O-N 3.19Å; Y374-F377 VanDerWaalsContact O-N 3.12Å; E375-F377 VanDerWaalsContact C-N 3.25Å; E375-F377 PolarHBondContact O-N 3.5Å
378F94.7Very high96.7Very high127 Ų12764.5 Ų64.556%0.55733%0.334SS*.THydrogen-bonded Turntrans-97.4-26.5-177-63.7-42.7000113.2L362 Y374L362-F378 HydrophobicContact CD1-CB 3.88Å; L362-F378 HydrophobicContact CD1-CD1 4.29Å; L362-F378 HydrophobicContact CD1-CD2 4.48Å; L362-F378 HydrophobicContact CD1-CG 3.99Å; Y374-F378 HydrophobicContact CD1-CD2 4.01Å; Y374-F378 AromaticContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD1-CE2 3.72Å; Y374-F378 HydrophobicContact CD2-CD2 4.11Å; Y374-F378 HydrophobicContact CD2-CE2 4.23Å; Y374-F378 HydrophobicContact CE1-CE2 4.04Å; Y374-F378 HydrophobicContact CE2-CE2 4.48Å; Y374-F378 AromaticContact CG-CD2 3.71Å; Y374-F378 HydrophobicContact CG-CD2 3.71Å; Y374-F378 AromaticContact CG-CE2 3.85Å; Y374-F378 HydrophobicContact CG-CE2 3.85Å; Y374-F378 PolarHBondContact O-N 3.4Å; Y374-F378 VanDerWaalsContact O-N 3.16Å
379Y96Very high96.6Very high10 Ų1066.9 Ų66.94%0.03935%0.35CS..BIsolated β-bridgetrans-151.4162.8-179.333.8-111.1000110.3L362 K370 W371 Y374 E375 G376 W400L362-Y379 HydrophobicContact CD2-CD1 4.17Å; L362-Y379 HydrophobicContact CD2-CE1 4.36Å; K370-Y379 HydrophobicContact CB-CD2 4.1Å; K370-Y379 HydrophobicContact CB-CE2 3.76Å; K370-Y379 HydrophobicContact CD-CD2 4.04Å; K370-Y379 HydrophobicContact CD-CG 4.31Å; K370-Y379 VanDerWaalsContact CE-CD2 3.48Å; K370-Y379 HydrophobicContact CG-CD1 4.15Å; K370-Y379 HydrophobicContact CG-CD2 3.65Å; K370-Y379 HydrophobicContact CG-CE1 4.29Å; K370-Y379 HydrophobicContact CG-CE2 3.81Å; K370-Y379 HydrophobicContact CG-CG 3.83Å; W371-Y379 WeakPolarHBondContact CA-OH 3.32Å; W371-Y379 WeakPolarHBondContact CB-OH 3.38Å; W371-Y379 PolarHBondContact N-OH 2.99Å; W371-Y379 WeakPolarHBondContact O-CE2 3.32Å; W371-Y379 PolarHBondContact O-OH 2.63Å; Y374-Y379 VanDerWaalsContact CB-OH 3.29Å; Y374-Y379 WeakPolarHBondContact CB-OH 3.36Å; E375-Y379 HydrophobicContact CB-CE2 4.38Å; E375-Y379 HydrophobicContact CG-CD2 3.94Å; E375-Y379 HydrophobicContact CG-CE2 3.64Å; G376-Y379 PolarHBondContact N-O 2.99Å; Y379-W400 HydrophobicContact CG-CH2 4.48Å
380P95.8Very high96.6Very high64 Ų6466.3 Ų66.342%0.41635%0.347SS..PPolyproline II helixtrans-56.8170.3178.2-24.734.9000113.3K370 W400K370-P380 WeakPolarHBondContact CE-O 3.08Å; K370-P380 PolarHBondContact NZ-O 2.75Å; P380-W400 HydrophobicContact CG-CD2 4.4Å; P380-W400 HydrophobicContact CG-CG 4.4Å
381G97.1Very high96.7Very high42 Ų4266.3 Ų66.343%0.43335%0.347SS..PPolyproline II helixtrans-62.3147.3170.800000112.5K370K370-G381 PolarHBondContact NZ-O 2.04Å
382C97.8Very high96.7Very high23 Ų2362.6 Ų62.616%0.15533%0.333CS..PPolyproline II helixtrans-66.7131.8172.5-174.80000109.9E375 S385 H386 C391E375-C382 WeakPolarHBondContact OE1-CB 3.39Å; E375-C382 WeakPolarHBondContact OE2-CB 3.43Å; E375-C382 PolarHBondContact OE2-N 2.8Å; C382-S385 PolarHBondContact SG-O 2.67Å; C382-S385 VanDerWaalsContact SG-O 3.38Å; C382-H386 VanDerWaalsContact CB-NE2 3.33Å; C382-H386 WeakPolarHBondContact CB-NE2 3.47Å; C382-C391 HydrophobicContact CB-CB 3.75Å; C382-C391 WeakPolarHBondContact CB-SG 3.25Å; C382-C391 WeakPolarHBondContact SG-CB 3.08Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.8Å
383T97Very high96.8Very high47 Ų4759.5 Ų59.529%0.28832%0.316SS..SBendtrans-95.8-16.6-179.967.60000112.4R91 G394 A396 E397R91-T383 PolarHBondContact NH1-O 3.43Å; R91-T383 PolarHBondContact NH2-O 3.2Å; T383-G394 VanDerWaalsContact OG1-CA 3.29Å; T383-G394 WeakPolarHBondContact OG1-CA 3.1Å; T383-G394 PolarHBondContact OG1-N 3.16Å; T383-G394 PolarHBondContact OG1-O 3.23Å; T383-A396 HydrophobicContact CG2-CB 3.82Å; T383-E397 WeakPolarHBondContact CB-OE2 3.49Å; T383-E397 HydrophobicContact CG2-CG 3.63Å; T383-E397 PolarHBondContact N-OE2 3.29Å; T383-E397 WeakPolarHBondContact OG1-CG 3.29Å; T383-E397 PolarHBondContact OG1-OE2 2.68Å
384G96.5Very high96.8Very high15 Ų1553.8 Ų53.816%0.15529%0.294CS..SBendtrans-87.1-111.917500000112.7R91 I392R91-G384 PolarHBondContact NH2-O 3.12Å; G384-I392 CarbonylContact C-O 3.55Å; G384-I392 WeakPolarHBondContact CA-O 3.03Å
385S97.1Very high96.9Very high44 Ų4449 Ų4931%0.30828%0.275SS..EExtended strand (participates in β ladder)trans-144.3177.9179.5680000111.3C382 C391 I392 V416C382-S385 PolarHBondContact SG-O 2.67Å; C382-S385 VanDerWaalsContact SG-O 3.38Å; S385-C391 CarbonylContact O-C 3.57Å; S385-C391 WeakPolarHBondContact O-CA 3.19Å; S385-I392 PolarHBondContact N-O 2.77Å; S385-I392 PolarHBondContact O-N 2.64Å; S385-V416 WeakPolarHBondContact OG-CG1 3.44Å; S385-V416 WeakPolarHBondContact OG-CG2 3.36Å
386H98.1Very high96.9Very high83 Ų8348.6 Ų48.638%0.38428%0.278SS..EExtended strand (participates in β ladder)trans-121.7138.6177-60.492.1000111.8N372 E375 C382 V390N372-H386 VanDerWaalsContact CB-CD2 3.5Å; N372-H386 WeakPolarHBondContact CB-CD2 3.34Å; E375-H386 IonicContact OE1-CD2 2.69Å; E375-H386 IonicContact OE1-CE1 3.43Å; E375-H386 IonicContact OE1-NE2 2.73Å; E375-H386 PolarHBondContact OE1-NE2 2.95Å; E375-H386 IonicContact OE2-CE1 3.57Å; E375-H386 IonicContact OE2-NE2 3.4Å; E375-H386 PolarHBondContact OE2-NE2 2.68Å; C382-H386 VanDerWaalsContact CB-NE2 3.33Å; C382-H386 WeakPolarHBondContact CB-NE2 3.47Å; H386-V390 WeakPolarHBondContact CA-O 3.42Å
387L96.6Very high96.9Very high83 Ų8345.7 Ų45.744%0.43525%0.247SC..EExtended strand (participates in β ladder)trans-133.3120170.2-17865.1000109.6S389 V390 I392L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.82Å; L387-V390 PolarHBondContact N-O 2.91Å; L387-V390 PolarHBondContact O-N 2.9Å; L387-I392 HydrophobicContact CB-CD1 3.91Å; L387-I392 HydrophobicContact CB-CG1 4.48Å
388R93.8Very high97.1Very high154 Ų15437.7 Ų37.758%0.58121%0.212SC*.THydrogen-bonded Turntrans52.748.1-175.8-60.8-179.8-73.8173.3-5.6111.9V390R388-V390 PolarHBondContact O-N 2.8Å; R388-V390 VanDerWaalsContact O-N 3.11Å
389S96.8Very high97.2Very high50 Ų5034.6 Ų34.635%0.3520%0.196SC..THydrogen-bonded Turntrans66.9-0.2-179.2-49.80000116.4W371 N372 L387W371-S389 CarbonylContact C-O 3.5Å; W371-S389 WeakPolarHBondContact CA-O 3.45Å; N372-S389 PolarHBondContact N-O 3.16Å; N372-S389 WeakPolarHBondContact OD1-CB 3.46Å; L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.82Å
390V98.1Very high97.3Very high8 Ų836.7 Ų36.75%0.04820%0.204CC..EExtended strand (participates in β ladder)trans-98.2132.7176.2-179.60000110V369 K370 W371 H386 L387 R388 K411V369-V390 HydrophobicContact CG1-CG1 3.71Å; V369-V390 HydrophobicContact CG1-CG2 4.35Å; K370-V390 CarbonylContact O-C 3.57Å; K370-V390 WeakPolarHBondContact O-CA 3.45Å; W371-V390 HydrophobicContact CD2-CG2 4.49Å; W371-V390 HydrophobicContact CE3-CG2 3.97Å; W371-V390 HydrophobicContact CH2-CG2 4.04Å; W371-V390 HydrophobicContact CZ3-CG2 3.73Å; H386-V390 WeakPolarHBondContact CA-O 3.42Å; L387-V390 PolarHBondContact N-O 2.91Å; L387-V390 PolarHBondContact O-N 2.9Å; R388-V390 PolarHBondContact O-N 2.8Å; R388-V390 VanDerWaalsContact O-N 3.11Å; V390-K411 HydrophobicContact CG1-CD 4.04Å; V390-K411 HydrophobicContact CG1-CG 4.1Å
391C98.6Very high97.4Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-65.1131.2172.6177.60000110.5K370 C382 S385 K411K370-C391 HydrophobicContact CB-CB 3.67Å; K370-C391 PolarHBondContact O-N 2.83Å; C382-C391 HydrophobicContact CB-CB 3.75Å; C382-C391 WeakPolarHBondContact CB-SG 3.25Å; C382-C391 WeakPolarHBondContact SG-CB 3.08Å; C382-C391 CovalentContact SG-SG 2.04Å; C382-C391 PolarHBondContact SG-SG 2.8Å; S385-C391 CarbonylContact O-C 3.57Å; S385-C391 WeakPolarHBondContact O-CA 3.19Å; C391-K411 PolarHBondContact O-N 3.27Å
392I98.6Very high97.4Very high6 Ų631.9 Ų31.93%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-96.3112159-54.4173.3000105.2G384 S385 L387 K411 D413 V416G384-I392 CarbonylContact C-O 3.55Å; G384-I392 WeakPolarHBondContact CA-O 3.03Å; S385-I392 PolarHBondContact N-O 2.77Å; S385-I392 PolarHBondContact O-N 2.64Å; L387-I392 HydrophobicContact CB-CD1 3.91Å; L387-I392 HydrophobicContact CB-CG1 4.48Å; I392-K411 WeakPolarHBondContact CA-O 3.34Å; I392-K411 HydrophobicContact CG1-CB 4.26Å; I392-D413 HydrophobicContact CG2-CB 3.66Å; I392-V416 HydrophobicContact CB-CB 4.45Å; I392-V416 HydrophobicContact CB-CG1 4.18Å; I392-V416 HydrophobicContact CB-CG2 4.22Å; I392-V416 HydrophobicContact CD1-CG2 3.92Å; I392-V416 HydrophobicContact CG2-CB 3.7Å; I392-V416 HydrophobicContact CG2-CG1 3.82Å; I392-V416 HydrophobicContact CG2-CG2 3.75Å
393Y98.6Very high97.3Very high2 Ų237.3 Ų37.31%0.00819%0.186CC..  trans-63.3152-167.8-63.5-76000113.2L368 K370 W400 L401 A409 N410 K411 F412 L420L368-Y393 PolarHBondContact O-OH 3.42Å; L368-Y393 VanDerWaalsContact O-OH 3.12Å; K370-Y393 HydrophobicContact CB-CE1 4.47Å; K370-Y393 HydrophobicContact CD-CD1 4.3Å; K370-Y393 HydrophobicContact CD-CE1 3.52Å; K370-Y393 HydrophobicContact CG-CE1 3.93Å; K370-Y393 PolarHBondContact N-OH 3.18Å; Y393-W400 HydrophobicContact CE1-CZ3 4.26Å; Y393-L401 HydrophobicContact CD1-CD1 4.19Å; Y393-L401 HydrophobicContact CD1-CD2 3.84Å; Y393-L401 HydrophobicContact CD1-CG 4.43Å; Y393-L401 HydrophobicContact CD2-CD2 4.48Å; Y393-L401 HydrophobicContact CE1-CD2 3.63Å; Y393-L401 HydrophobicContact CE2-CD2 4.34Å; Y393-L401 HydrophobicContact CG-CD1 4.1Å; Y393-L401 HydrophobicContact CG-CD2 4.26Å; Y393-A409 HydrophobicContact CD2-CB 4.42Å; Y393-A409 HydrophobicContact CE2-CB 3.73Å; Y393-N410 WeakPolarHBondContact CE2-O 3.49Å; Y393-K411 VanDerWaalsContact CD2-O 3.23Å; Y393-K411 WeakPolarHBondContact CD2-O 3.42Å; Y393-K411 PolarHBondContact N-O 2.64Å; Y393-F412 HydrophobicContact CD2-CE1 4.28Å; Y393-F412 HydrophobicContact CD2-CE2 4.14Å; Y393-F412 HydrophobicContact CD2-CZ 4.01Å; Y393-F412 HydrophobicContact CE2-CE2 4.48Å; Y393-L420 VanDerWaalsContact C-CD2 3.5Å
394G98.2Very high97Very high0 Ų037.9 Ų37.90%019%0.187CC..  trans-115.5164172.100000113T383 A396 E397 D417T383-G394 VanDerWaalsContact OG1-CA 3.29Å; T383-G394 WeakPolarHBondContact OG1-CA 3.1Å; T383-G394 PolarHBondContact OG1-N 3.16Å; T383-G394 PolarHBondContact OG1-O 3.23Å; G394-A396 PolarHBondContact O-N 2.89Å; G394-A396 VanDerWaalsContact O-N 3.13Å; G394-E397 PolarHBondContact N-OE2 2.69Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 3.18Å; G394-D417 WeakPolarHBondContact CA-OD2 3.44Å
395A97.9Very high97Very high0 Ų038.2 Ų38.20%019%0.191CC..G310 helixtrans-59-29.6-17200000113.8I76 T87 E397 L398 D417 I419 L420I76-A395 HydrophobicContact CG2-CB 4.15Å; I76-A395 WeakPolarHBondContact CG2-O 3.21Å; T87-A395 HydrophobicContact CG2-CB 3.76Å; A395-E397 PolarHBondContact O-N 3.4Å; A395-E397 VanDerWaalsContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-CB 3.29Å; A395-L398 WeakPolarHBondContact O-CB 2.94Å; A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.08Å; A395-D417 WeakPolarHBondContact CB-OD2 3.5Å; A395-D417 PolarHBondContact N-OD2 3.33Å; A395-I419 HydrophobicContact CB-CB 4.43Å; A395-I419 HydrophobicContact CB-CG2 4.31Å; A395-L420 HydrophobicContact CB-CB 4.27Å
396A97Very high97Very high28 Ų2836.5 Ų36.523%0.23118%0.178CC..G310 helixtrans-65.3-14.1177.500000114I84 T383 G394I84-A396 HydrophobicContact CD1-CB 4Å; I84-A396 HydrophobicContact CG2-CB 4.23Å; T383-A396 HydrophobicContact CG2-CB 3.82Å; G394-A396 PolarHBondContact O-N 2.89Å; G394-A396 VanDerWaalsContact O-N 3.13Å
397E96.3Very high97Very high6 Ų632.7 Ų32.73%0.02816%0.16CC..G310 helixtrans-90.2-5.2175.4-70.6165.9101.800113.6K370 T383 G394 A395 R399 W400 L401K370-E397 IonicContact NZ-OE1 3.57Å; K370-E397 PolarHBondContact NZ-OE1 3.02Å; T383-E397 WeakPolarHBondContact CB-OE2 3.49Å; T383-E397 HydrophobicContact CG2-CG 3.63Å; T383-E397 PolarHBondContact N-OE2 3.29Å; T383-E397 WeakPolarHBondContact OG1-CG 3.29Å; T383-E397 PolarHBondContact OG1-OE2 2.68Å; G394-E397 PolarHBondContact N-OE2 2.69Å; G394-E397 WeakPolarHBondContact O-CB 3.42Å; G394-E397 PolarHBondContact O-N 3.18Å; A395-E397 PolarHBondContact O-N 3.4Å; A395-E397 VanDerWaalsContact O-N 3.13Å; E397-R399 PolarHBondContact O-N 2.83Å; E397-W400 PolarHBondContact O-N 2.8Å; E397-L401 HydrophobicContact CB-CD1 4.11Å; E397-L401 HydrophobicContact CB-CG 4.16Å; E397-L401 WeakPolarHBondContact O-CG 3.45Å; E397-L401 PolarHBondContact O-N 3.11Å
398L98.3Very high97.2Very high0 Ų028.8 Ų28.80%014%0.14CC..Hα-helixtrans-48.2-53-172.8177.363.4000113.4I76 Y77 A395 W400 L401 I402 L420 C423 L424 K427I76-L398 HydrophobicContact CB-CD2 4.07Å; I76-L398 HydrophobicContact CG2-CB 3.95Å; I76-L398 HydrophobicContact CG2-CD2 3.66Å; I76-L398 HydrophobicContact CG2-CG 4.47Å; Y77-L398 HydrophobicContact CD2-CG 4.47Å; A395-L398 VanDerWaalsContact O-CB 3.29Å; A395-L398 WeakPolarHBondContact O-CB 2.94Å; A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.08Å; L398-W400 VanDerWaalsContact C-N 3.33Å; L398-W400 PolarHBondContact O-N 3.14Å; L398-L401 PolarHBondContact O-N 2.93Å; L398-I402 HydrophobicContact CD1-CD1 3.81Å; L398-I402 HydrophobicContact CD1-CG1 4.47Å; L398-I402 HydrophobicContact CG-CD1 4.21Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.43Å; L398-I402 VanDerWaalsContact O-N 3.14Å; L398-L420 HydrophobicContact CB-CD1 4.04Å; L398-L420 HydrophobicContact CD1-CD1 4.11Å; L398-C423 HydrophobicContact CD1-CB 4.45Å; L398-C423 HydrophobicContact CD2-CB 3.61Å; L398-L424 HydrophobicContact CD1-CB 3.92Å; L398-L424 HydrophobicContact CD1-CD1 4Å; L398-K427 HydrophobicContact CD2-CG 4.38Å
399R97.6Very high97.4Very high62 Ų6221.5 Ų21.523%0.23411%0.112CC..Hα-helixtrans-63.6-39.6-179.7179.7167.167.5-171.87.5112.6Y77 E78 E397 K403Y77-R399 HydrophobicContact CD2-CB 4.08Å; Y77-R399 HydrophobicContact CD2-CG 4.38Å; Y77-R399 HydrophobicContact CE2-CB 4.2Å; Y77-R399 HydrophobicContact CE2-CG 4.06Å; Y77-R399 VanDerWaalsContact O-CB 3.27Å; Y77-R399 WeakPolarHBondContact O-CB 3.44Å; Y77-R399 WeakPolarHBondContact O-CD 3.39Å; E78-R399 IonicContact OE2-NH1 3.07Å; E78-R399 PolarHBondContact OE2-NH1 3Å; E397-R399 PolarHBondContact O-N 2.83Å; R399-K403 HydrophobicContact CG-CD 3.99Å; R399-K403 WeakPolarHBondContact O-CB 3.5Å; R399-K403 VanDerWaalsContact O-CG 3.32Å; R399-K403 WeakPolarHBondContact O-CG 3.42Å; R399-K403 PolarHBondContact O-N 2.74Å
400W97.5Very high97.5Very high54 Ų5419.3 Ų19.321%0.20510%0.097CC..Hα-helixtrans-67.3-47.2179.717775.6000110.4L368 K370 Y379 P380 Y393 E397 L398 I402 K403 D404L368-W400 HydrophobicContact CD1-CH2 4Å; L368-W400 HydrophobicContact CD2-CH2 3.7Å; L368-W400 HydrophobicContact CD2-CZ3 3.7Å; L368-W400 HydrophobicContact CG-CH2 4.19Å; L368-W400 HydrophobicContact CG-CZ3 4.46Å; K370-W400 HydrophobicContact CD-CH2 3.9Å; K370-W400 HydrophobicContact CD-CZ3 3.78Å; K370-W400 HydrophobicContact CG-CH2 4.19Å; K370-W400 HydrophobicContact CG-CZ3 4.42Å; Y379-W400 HydrophobicContact CG-CH2 4.48Å; P380-W400 HydrophobicContact CG-CD2 4.4Å; P380-W400 HydrophobicContact CG-CG 4.4Å; Y393-W400 HydrophobicContact CE1-CZ3 4.26Å; E397-W400 PolarHBondContact O-N 2.8Å; L398-W400 VanDerWaalsContact C-N 3.33Å; L398-W400 PolarHBondContact O-N 3.14Å; W400-I402 VanDerWaalsContact C-N 3.34Å; W400-I402 PolarHBondContact O-N 2.9Å; W400-K403 PolarHBondContact O-N 3.41Å; W400-K403 VanDerWaalsContact O-N 3.09Å; W400-D404 HydrophobicContact CZ2-CB 4.49Å; W400-D404 VanDerWaalsContact CZ2-OD1 3.28Å; W400-D404 WeakPolarHBondContact CZ2-OD1 3.34Å; W400-D404 WeakPolarHBondContact O-CB 3.31Å; W400-D404 PolarHBondContact O-N 2.7Å
401L98.1Very high97.5Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-53.9-46.8177-74.6172.9000112.6L233 L368 Y393 E397 L398 K403 A409 F412 L420L233-L401 HydrophobicContact CD2-CB 3.81Å; L233-L401 HydrophobicContact CD2-CD2 4.42Å; L368-L401 HydrophobicContact CD2-CD2 3.8Å; Y393-L401 HydrophobicContact CD1-CD1 4.19Å; Y393-L401 HydrophobicContact CD1-CD2 3.84Å; Y393-L401 HydrophobicContact CD1-CG 4.43Å; Y393-L401 HydrophobicContact CD2-CD2 4.48Å; Y393-L401 HydrophobicContact CE1-CD2 3.63Å; Y393-L401 HydrophobicContact CE2-CD2 4.34Å; Y393-L401 HydrophobicContact CG-CD1 4.1Å; Y393-L401 HydrophobicContact CG-CD2 4.26Å; E397-L401 HydrophobicContact CB-CD1 4.11Å; E397-L401 HydrophobicContact CB-CG 4.16Å; E397-L401 WeakPolarHBondContact O-CG 3.45Å; E397-L401 PolarHBondContact O-N 3.11Å; L398-L401 PolarHBondContact O-N 2.93Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.19Å; L401-A409 HydrophobicContact CD2-CB 4.24Å; L401-F412 HydrophobicContact CD1-CE1 4.32Å; L401-F412 HydrophobicContact CD1-CZ 4.34Å; L401-L420 HydrophobicContact CD1-CD1 4.03Å; L401-L420 HydrophobicContact CD1-CD2 4.16Å
402I96.8Very high97.5Very high5 Ų520.2 Ų20.23%0.02610%0.1CC..Hα-helixtrans-67.3-36.2179.5-69.2171.8000111.8Y77 K234 L398 W400 L424 K427 Q431Y77-I402 HydrophobicContact CD2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CB 4.37Å; Y77-I402 HydrophobicContact CE2-CD1 4.02Å; Y77-I402 HydrophobicContact CE2-CG2 4.31Å; K234-I402 PolarHBondContact NZ-O 2.7Å; L398-I402 HydrophobicContact CD1-CD1 3.81Å; L398-I402 HydrophobicContact CD1-CG1 4.47Å; L398-I402 HydrophobicContact CG-CD1 4.21Å; L398-I402 WeakPolarHBondContact O-CG1 3.4Å; L398-I402 PolarHBondContact O-N 3.43Å; L398-I402 VanDerWaalsContact O-N 3.14Å; W400-I402 VanDerWaalsContact C-N 3.34Å; W400-I402 PolarHBondContact O-N 2.9Å; I402-L424 HydrophobicContact CD1-CD1 4.01Å; I402-L424 HydrophobicContact CG1-CD1 3.73Å; I402-K427 HydrophobicContact CD1-CB 3.72Å; I402-K427 HydrophobicContact CD1-CG 4.24Å; I402-Q431 VanDerWaalsContact CG2-NE2 3.29Å
403K95.8Very high97.4Very high136 Ų13621.1 Ų21.159%0.59111%0.105SC*.Hα-helixtrans-86.7-19.8-175.1-71.7-172.6178.3-172.70114.6Y77 R399 W400 L401 G405Y77-K403 VanDerWaalsContact OH-CE 3.27Å; Y77-K403 WeakPolarHBondContact OH-CE 3.41Å; R399-K403 HydrophobicContact CG-CD 3.99Å; R399-K403 WeakPolarHBondContact O-CB 3.5Å; R399-K403 VanDerWaalsContact O-CG 3.32Å; R399-K403 WeakPolarHBondContact O-CG 3.42Å; R399-K403 PolarHBondContact O-N 2.74Å; W400-K403 PolarHBondContact O-N 3.41Å; W400-K403 VanDerWaalsContact O-N 3.09Å; L401-K403 VanDerWaalsContact C-N 3.35Å; L401-K403 PolarHBondContact O-N 3.19Å; K403-G405 VanDerWaalsContact C-N 3.32Å; K403-G405 PolarHBondContact O-N 3.39Å
404D92Very high97.3Very high59 Ų5921.2 Ų21.232%0.31611%0.105SC..Hα-helixtrans-62-36.3-171.6-174.878.9000113.2L368 W400 H406L368-D404 HydrophobicContact CD2-CB 4.07Å; L368-D404 WeakPolarHBondContact CD2-OD2 3.41Å; W400-D404 HydrophobicContact CZ2-CB 4.49Å; W400-D404 VanDerWaalsContact CZ2-OD1 3.28Å; W400-D404 WeakPolarHBondContact CZ2-OD1 3.34Å; W400-D404 WeakPolarHBondContact O-CB 3.31Å; W400-D404 PolarHBondContact O-N 2.7Å; D404-H406 IonicContact OD2-CE1 3.27Å; D404-H406 PolarHBondContact OD2-CE1 3.45Å; D404-H406 VanDerWaalsContact OD2-CE1 3.3Å; D404-H406 IonicContact OD2-CG 3.68Å; D404-H406 IonicContact OD2-ND1 2.92Å; D404-H406 PolarHBondContact OD2-ND1 3.3Å
405G94.8Very high97.2Very high22 Ų2227 Ų2723%0.22713%0.131CC..  trans110.3-6.1169.600000115.7K403K403-G405 VanDerWaalsContact C-N 3.32Å; K403-G405 PolarHBondContact O-N 3.39Å
406H98.2Very high97.1Very high9 Ų928.1 Ų28.14%0.04214%0.138CC..  trans-68.2160.7167.3-67.478.2000111.5L233 D361 S364 L368 D404L233-H406 WeakPolarHBondContact CB-O 3.24Å; L233-H406 HydrophobicContact CD1-CB 4.07Å; D361-H406 PolarHBondContact O-NE2 2.88Å; S364-H406 PolarHBondContact O-CD2 3Å; S364-H406 PolarHBondContact O-NE2 2.9Å; L368-H406 HydrophobicContact CB-CB 3.77Å; D404-H406 IonicContact OD2-CE1 3.27Å; D404-H406 PolarHBondContact OD2-CE1 3.45Å; D404-H406 VanDerWaalsContact OD2-CE1 3.3Å; D404-H406 IonicContact OD2-CG 3.68Å; D404-H406 IonicContact OD2-ND1 2.92Å; D404-H406 PolarHBondContact OD2-ND1 3.3Å
407W98.6Very high97.2Very high3 Ų327 Ų271%0.01113%0.127CC..SBendtrans-89.2-31-178.2-58.5-26.9000112.9L233 L239 E242 L243 L246 M251 V306 K365L233-W407 PolarHBondContact N-O 3.46Å; L239-W407 HydrophobicContact CD1-CB 3.93Å; L239-W407 HydrophobicContact CD1-CD2 4.12Å; L239-W407 HydrophobicContact CD1-CG 3.84Å; E242-W407 HydrophobicContact CB-CZ2 4.07Å; L243-W407 HydrophobicContact CD2-CE3 4.42Å; L243-W407 HydrophobicContact CD2-CH2 4.11Å; L243-W407 HydrophobicContact CD2-CZ3 4.01Å; L246-W407 HydrophobicContact CD1-CH2 3.86Å; L246-W407 HydrophobicContact CD2-CH2 4.21Å; L246-W407 HydrophobicContact CG-CH2 4.31Å; M251-W407 HydrophobicContact CB-CH2 3.79Å; M251-W407 HydrophobicContact CB-CZ3 3.83Å; M251-W407 HydrophobicContact CG-CH2 3.74Å; M251-W407 HydrophobicContact CG-CZ3 3.79Å; V306-W407 HydrophobicContact CB-CE3 4.5Å; V306-W407 HydrophobicContact CB-CZ3 3.83Å; V306-W407 HydrophobicContact CG1-CZ3 4.03Å; V306-W407 HydrophobicContact CG2-CE3 3.69Å; V306-W407 HydrophobicContact CG2-CZ3 3.51Å; K365-W407 HydrophobicContact CB-CD2 3.84Å; K365-W407 HydrophobicContact CB-CE3 4.25Å; K365-W407 HydrophobicContact CB-CG 4.28Å; K365-W407 HydrophobicContact CB-CH2 4.21Å; K365-W407 HydrophobicContact CB-CZ2 3.82Å; K365-W407 HydrophobicContact CB-CZ3 4.41Å; K365-W407 HydrophobicContact CD-CZ2 3.89Å; K365-W407 HydrophobicContact CG-CZ2 4.49Å; K365-W407 PolarHBondContact O-N 3.16Å
408F98.9Very high97.2Very high1 Ų127.1 Ų27.10%0.00413%0.129CC..EExtended strand (participates in β ladder)trans-142.9162.1177.3-64.8-96.9000110.4Y135 I153 I224 L226 F231 P232 L239 R367 L368Y135-F408 AromaticContact CE1-CZ 3.94Å; Y135-F408 HydrophobicContact CE1-CZ 3.94Å; I153-F408 HydrophobicContact CG2-CE1 3.94Å; I153-F408 HydrophobicContact CG2-CZ 4.47Å; I224-F408 HydrophobicContact CD1-CE2 3.84Å; I224-F408 HydrophobicContact CD1-CZ 4.33Å; I224-F408 HydrophobicContact CG2-CD2 4.26Å; I224-F408 HydrophobicContact CG2-CE2 3.86Å; I224-F408 HydrophobicContact CG2-CZ 4.4Å; L226-F408 HydrophobicContact CD1-CE1 4.05Å; L226-F408 HydrophobicContact CD2-CD1 3.52Å; L226-F408 HydrophobicContact CD2-CD2 4.31Å; L226-F408 HydrophobicContact CD2-CE1 3.68Å; L226-F408 HydrophobicContact CD2-CE2 4.46Å; L226-F408 HydrophobicContact CD2-CG 3.9Å; L226-F408 HydrophobicContact CD2-CZ 4.17Å; F231-F408 WeakPolarHBondContact O-CA 3.48Å; P232-F408 VanDerWaalsContact CA-CD1 3.47Å; P232-F408 HydrophobicContact CB-CD1 4.05Å; P232-F408 HydrophobicContact CB-CE1 3.78Å; P232-F408 HydrophobicContact CB-CZ 4.47Å; L239-F408 HydrophobicContact CD1-CE2 4.48Å; L239-F408 HydrophobicContact CD2-CE2 4.15Å; L239-F408 HydrophobicContact CD2-CZ 4.13Å; R367-F408 CarbonylContact C-O 3.44Å; R367-F408 WeakPolarHBondContact CA-O 3.22Å; L368-F408 PolarHBondContact N-O 3.12Å
409A98.7Very high97.1Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-127.6156.4175.300000112.4D230 F231 L233 L368 Y393 L401 F412D230-A409 WeakPolarHBondContact CA-O 3.34Å; F231-A409 PolarHBondContact N-O 3.01Å; F231-A409 PolarHBondContact O-N 2.93Å; L233-A409 HydrophobicContact CD1-CB 3.77Å; L233-A409 HydrophobicContact CD2-CB 4.01Å; L233-A409 HydrophobicContact CG-CB 3.99Å; L368-A409 HydrophobicContact CB-CB 4.21Å; L368-A409 CarbonylContact O-C 3.58Å; L368-A409 VanDerWaalsContact O-CA 3.31Å; L368-A409 WeakPolarHBondContact O-CA 3.36Å; Y393-A409 HydrophobicContact CD2-CB 4.42Å; Y393-A409 HydrophobicContact CE2-CB 3.73Å; L401-A409 HydrophobicContact CD2-CB 4.24Å; A409-F412 HydrophobicContact CB-CE2 3.53Å; A409-F412 HydrophobicContact CB-CZ 3.78Å; A409-F412 WeakPolarHBondContact O-CE2 3.4Å
410N98.6Very high97.2Very high5 Ų524.3 Ų24.33%0.02712%0.119CC..EExtended strand (participates in β ladder)trans-138.1124.2174-166.2-112.6000109.2C227 D230 R367 L368 V369 Y393C227-N410 PolarHBondContact SG-ND2 2.69Å; C227-N410 VanDerWaalsContact SG-ND2 3.41Å; D230-N410 VanDerWaalsContact OD1-CB 3.27Å; D230-N410 WeakPolarHBondContact OD1-CB 3.43Å; D230-N410 PolarHBondContact OD1-ND2 3.15Å; R367-N410 HydrophobicContact CG-CB 3.87Å; L368-N410 PolarHBondContact O-N 2.92Å; V369-N410 HydrophobicContact CG2-CB 4.05Å; Y393-N410 WeakPolarHBondContact CE2-O 3.49Å
411K97.9Very high97.2Very high25 Ų2522 Ų2211%0.10911%0.111CC..  cis-124152.815.4-66.8174.1-174.3172.70113.3Q229 V390 C391 I392 Y393Q229-K411 HydrophobicContact CB-CB 4.29Å; Q229-K411 HydrophobicContact CB-CG 4.34Å; Q229-K411 WeakPolarHBondContact O-CA 3.46Å; V390-K411 HydrophobicContact CG1-CD 4.04Å; V390-K411 HydrophobicContact CG1-CG 4.1Å; C391-K411 PolarHBondContact O-N 3.27Å; I392-K411 WeakPolarHBondContact CA-O 3.34Å; I392-K411 HydrophobicContact CG1-CB 4.26Å; Y393-K411 VanDerWaalsContact CD2-O 3.23Å; Y393-K411 WeakPolarHBondContact CD2-O 3.42Å; Y393-K411 PolarHBondContact N-O 2.64Å
412F98.6Very high97.2Very high2 Ų226.4 Ų26.41%0.00913%0.13CC..  trans-115.2140.9168.9-61.3-96000110.3M145 Q229 F231 Y393 L401 A409 L420 I421 L424M145-F412 HydrophobicContact CE-CB 3.95Å; Q229-F412 PolarHBondContact NE2-O 2.92Å; Q229-F412 PolarHBondContact O-N 3.43Å; F231-F412 HydrophobicContact CB-CD1 4.26Å; F231-F412 HydrophobicContact CB-CD2 3.37Å; F231-F412 HydrophobicContact CB-CE1 4.24Å; F231-F412 HydrophobicContact CB-CE2 3.35Å; F231-F412 HydrophobicContact CB-CG 3.84Å; F231-F412 HydrophobicContact CB-CZ 3.82Å; Y393-F412 HydrophobicContact CD2-CE1 4.28Å; Y393-F412 HydrophobicContact CD2-CE2 4.14Å; Y393-F412 HydrophobicContact CD2-CZ 4.01Å; Y393-F412 HydrophobicContact CE2-CE2 4.48Å; L401-F412 HydrophobicContact CD1-CE1 4.32Å; L401-F412 HydrophobicContact CD1-CZ 4.34Å; A409-F412 HydrophobicContact CB-CE2 3.53Å; A409-F412 HydrophobicContact CB-CZ 3.78Å; A409-F412 WeakPolarHBondContact O-CE2 3.4Å; F412-L420 HydrophobicContact CD1-CD2 3.8Å; F412-L420 HydrophobicContact CD1-CG 4.22Å; F412-L420 HydrophobicContact CE1-CD2 3.6Å; F412-L420 HydrophobicContact CE1-CG 3.97Å; F412-I421 HydrophobicContact CB-CD1 4.39Å; F412-I421 HydrophobicContact CB-CG1 4.18Å; F412-I421 HydrophobicContact CD1-CG1 4.21Å; F412-L424 HydrophobicContact CE1-CD2 3.62Å; F412-L424 HydrophobicContact CZ-CD2 3.65Å
413D98Very high97.2Very high24 Ų2426.2 Ų26.213%0.12813%0.128CC..  trans-149.1120.1175.3-166.5-33.7000108.4I392 K415 V416 D417I392-D413 HydrophobicContact CG2-CB 3.66Å; D413-K415 PolarHBondContact O-N 3.27Å; D413-K415 WeakPolarHBondContact OD1-CB 3.33Å; D413-K415 PolarHBondContact OD1-N 3.23Å; D413-V416 HydrophobicContact CB-CB 4.24Å; D413-V416 HydrophobicContact CB-CG2 4.01Å; D413-V416 WeakPolarHBondContact O-CB 3.33Å; D413-V416 PolarHBondContact O-N 2.77Å; D413-D417 PolarHBondContact O-N 2.88Å
414S96.1Very high97.4Very high4 Ų419.7 Ų19.73%0.02810%0.1CC..THydrogen-bonded Turntrans-65.2-21.1179.954.50000112.8I95 D97 V416 P418I95-S414 WeakPolarHBondContact CG2-O 3.36Å; D97-S414 WeakPolarHBondContact OD2-CB 3.5Å; D97-S414 PolarHBondContact OD2-OG 2.83Å; S414-V416 VanDerWaalsContact C-N 3.25Å; S414-V416 PolarHBondContact O-N 2.98Å; S414-P418 WeakPolarHBondContact O-CD 3.45Å
415K95.6Very high97.7Very high121 Ų12118 Ų1853%0.5269%0.094SC..THydrogen-bonded Turntrans-76.8-14172.9-62.8167179.4157.60112.3D142 D413D142-K415 IonicContact OD1-NZ 2.68Å; D142-K415 PolarHBondContact OD1-NZ 3.31Å; D413-K415 PolarHBondContact O-N 3.27Å; D413-K415 WeakPolarHBondContact OD1-CB 3.33Å; D413-K415 PolarHBondContact OD1-N 3.23Å
416V97.1Very high97.8Very high25 Ų2519.9 Ų19.915%0.15210%0.097CC..THydrogen-bonded Turntrans-96.1-49.8173.9174.30000111.1R91 S385 I392 D413 S414R91-V416 WeakPolarHBondContact CG-O 3.48Å; S385-V416 WeakPolarHBondContact OG-CG1 3.44Å; S385-V416 WeakPolarHBondContact OG-CG2 3.36Å; I392-V416 HydrophobicContact CB-CB 4.45Å; I392-V416 HydrophobicContact CB-CG1 4.18Å; I392-V416 HydrophobicContact CB-CG2 4.22Å; I392-V416 HydrophobicContact CD1-CG2 3.92Å; I392-V416 HydrophobicContact CG2-CB 3.7Å; I392-V416 HydrophobicContact CG2-CG1 3.82Å; I392-V416 HydrophobicContact CG2-CG2 3.75Å; D413-V416 HydrophobicContact CB-CB 4.24Å; D413-V416 HydrophobicContact CB-CG2 4.01Å; D413-V416 WeakPolarHBondContact O-CB 3.33Å; D413-V416 PolarHBondContact O-N 2.77Å; S414-V416 VanDerWaalsContact C-N 3.25Å; S414-V416 PolarHBondContact O-N 2.98Å
417D97.4Very high97.8Very high3 Ų320.1 Ų20.12%0.01610%0.098CC..  trans-156.395.7177.4-162.4-34.8000111.2R91 G394 A395 D413 I419 L420R91-D417 WeakPolarHBondContact CD-OD2 3.48Å; G394-D417 WeakPolarHBondContact CA-OD2 3.44Å; A395-D417 WeakPolarHBondContact CB-OD2 3.5Å; A395-D417 PolarHBondContact N-OD2 3.33Å; D413-D417 PolarHBondContact O-N 2.88Å; D417-I419 VanDerWaalsContact C-N 3.26Å; D417-I419 PolarHBondContact O-N 2.9Å; D417-I419 WeakPolarHBondContact OD1-CB 3.22Å; D417-I419 PolarHBondContact OD1-N 2.85Å; D417-I419 VanDerWaalsContact OD1-N 3.08Å; D417-L420 HydrophobicContact CB-CB 4.33Å; D417-L420 PolarHBondContact OD1-N 3.46Å; D417-L420 VanDerWaalsContact OD1-N 3.08Å
418P96.6Very high97.7Very high9 Ų920.6 Ų20.66%0.05810%0.1CC..Hα-helixtrans-73.8-21.9179.830.3-32.7000112Y44 V46 I95 S414 I421 K422Y44-P418 HydrophobicContact CD1-CG 4.18Å; Y44-P418 HydrophobicContact CE1-CG 3.86Å; V46-P418 HydrophobicContact CG1-CB 4.16Å; V46-P418 HydrophobicContact CG2-CB 3.66Å; V46-P418 HydrophobicContact CG2-CG 3.94Å; I95-P418 HydrophobicContact CD1-CG 4.44Å; I95-P418 HydrophobicContact CG2-CG 4.16Å; S414-P418 WeakPolarHBondContact O-CD 3.45Å; P418-I421 PolarHBondContact O-N 3.32Å; P418-K422 PolarHBondContact O-N 3.18Å
419I97.4Very high97.6Very high3 Ų324.4 Ų24.42%0.01512%0.118CC..Hα-helixtrans-71.3-39.7-178.6-57.9-56000110.5Y44 V71 T87 I90 A395 D417 I421 K422 C423Y44-I419 WeakPolarHBondContact OH-CD1 3.25Å; V71-I419 HydrophobicContact CB-CD1 4.39Å; V71-I419 HydrophobicContact CB-CG2 4.08Å; V71-I419 HydrophobicContact CG1-CG2 3.68Å; V71-I419 HydrophobicContact CG2-CD1 4.01Å; V71-I419 HydrophobicContact CG2-CG1 4.28Å; V71-I419 HydrophobicContact CG2-CG2 4.27Å; T87-I419 HydrophobicContact CG2-CB 4.08Å; T87-I419 HydrophobicContact CG2-CG1 4.29Å; T87-I419 HydrophobicContact CG2-CG2 3.67Å; I90-I419 HydrophobicContact CD1-CD1 3.93Å; I90-I419 HydrophobicContact CD1-CG1 3.97Å; A395-I419 HydrophobicContact CB-CB 4.43Å; A395-I419 HydrophobicContact CB-CG2 4.31Å; D417-I419 VanDerWaalsContact C-N 3.26Å; D417-I419 PolarHBondContact O-N 2.9Å; D417-I419 WeakPolarHBondContact OD1-CB 3.22Å; D417-I419 PolarHBondContact OD1-N 2.85Å; D417-I419 VanDerWaalsContact OD1-N 3.08Å; I419-I421 VanDerWaalsContact C-N 3.29Å; I419-I421 PolarHBondContact O-N 3.37Å; I419-K422 PolarHBondContact O-N 3.05Å; I419-C423 WeakPolarHBondContact O-CB 3.41Å; I419-C423 PolarHBondContact O-N 3.2Å; I419-C423 PolarHBondContact O-SG 3.32Å
420L98.3Very high97.5Very high1 Ų127.2 Ų27.21%0.00513%0.131CC..Hα-helixtrans-56.1-4617517761000111.7Y393 A395 L398 L401 F412 D417 C423 L424Y393-L420 VanDerWaalsContact C-CD2 3.5Å; A395-L420 HydrophobicContact CB-CB 4.27Å; L398-L420 HydrophobicContact CB-CD1 4.04Å; L398-L420 HydrophobicContact CD1-CD1 4.11Å; L401-L420 HydrophobicContact CD1-CD1 4.03Å; L401-L420 HydrophobicContact CD1-CD2 4.16Å; F412-L420 HydrophobicContact CD1-CD2 3.8Å; F412-L420 HydrophobicContact CD1-CG 4.22Å; F412-L420 HydrophobicContact CE1-CD2 3.6Å; F412-L420 HydrophobicContact CE1-CG 3.97Å; D417-L420 HydrophobicContact CB-CB 4.33Å; D417-L420 PolarHBondContact OD1-N 3.46Å; D417-L420 VanDerWaalsContact OD1-N 3.08Å; L420-C423 PolarHBondContact O-N 3.14Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 2.93Å
421I98.3Very high97.4Very high6 Ų628.7 Ų28.73%0.03114%0.138CC..Hα-helixtrans-64.5-47.4-177.6-62.6158.7000110.4M145 F231 F412 P418 I419 L424 A425M145-I421 HydrophobicContact CE-CD1 3.75Å; M145-I421 HydrophobicContact CE-CG1 4.42Å; M145-I421 HydrophobicContact SD-CD1 3.61Å; F231-I421 HydrophobicContact CD2-CG2 4.38Å; F231-I421 HydrophobicContact CE2-CG2 3.79Å; F231-I421 HydrophobicContact CZ-CG2 3.98Å; F412-I421 HydrophobicContact CB-CD1 4.39Å; F412-I421 HydrophobicContact CB-CG1 4.18Å; F412-I421 HydrophobicContact CD1-CG1 4.21Å; P418-I421 PolarHBondContact O-N 3.32Å; I419-I421 VanDerWaalsContact C-N 3.29Å; I419-I421 PolarHBondContact O-N 3.37Å; I421-L424 PolarHBondContact O-N 3.16Å; I421-A425 WeakPolarHBondContact O-CB 3.4Å; I421-A425 PolarHBondContact O-N 3.07Å
422K97.1Very high97.4Very high92 Ų9228.4 Ų28.440%0.414%0.137SC..Hα-helixtrans-55.9-53.6174.5174.2180180-710111.3P418 I419 L424 A425 E426P418-K422 PolarHBondContact O-N 3.18Å; I419-K422 PolarHBondContact O-N 3.05Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-L424 PolarHBondContact O-N 3.26Å; K422-A425 PolarHBondContact O-N 3.07Å; K422-E426 WeakPolarHBondContact CE-OE1 3.38Å; K422-E426 VanDerWaalsContact CG-OE1 3.31Å; K422-E426 WeakPolarHBondContact CG-OE1 3.26Å; K422-E426 IonicContact NZ-OE1 3.57Å; K422-E426 PolarHBondContact NZ-OE1 3.49Å; K422-E426 IonicContact NZ-OE2 3.23Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 2.69Å
423C98.4Very high97.2Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-69.4-32.3-175.1-65.50000113.3C73 L398 I419 L420 K427C73-C423 WeakPolarHBondContact CA-SG 3.38Å; C73-C423 HydrophobicContact CB-CB 3.45Å; C73-C423 VanDerWaalsContact CB-CB 3.45Å; C73-C423 WeakPolarHBondContact CB-SG 3.38Å; C73-C423 WeakPolarHBondContact SG-CA 3.42Å; C73-C423 WeakPolarHBondContact SG-CB 3.27Å; C73-C423 CovalentContact SG-SG 2.03Å; C73-C423 PolarHBondContact SG-SG 3.33Å; L398-C423 HydrophobicContact CD1-CB 4.45Å; L398-C423 HydrophobicContact CD2-CB 3.61Å; I419-C423 WeakPolarHBondContact O-CB 3.41Å; I419-C423 PolarHBondContact O-N 3.2Å; I419-C423 PolarHBondContact O-SG 3.32Å; L420-C423 PolarHBondContact O-N 3.14Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 WeakPolarHBondContact O-CG 3.27Å; C423-K427 PolarHBondContact O-N 3.19Å
424L98.5Very high97.1Very high0 Ų037 Ų370%018%0.175CC..Hα-helixtrans-66.7-45.9173.2-174.455.1000110.5F231 P232 L233 L398 I402 F412 L420 I421 K422 E426 K427 L428F231-L424 HydrophobicContact CB-CD2 4.3Å; F231-L424 HydrophobicContact CD1-CB 4.33Å; F231-L424 HydrophobicContact CD1-CD2 3.49Å; F231-L424 VanDerWaalsContact CD1-CD2 3.49Å; F231-L424 HydrophobicContact CD1-CG 3.78Å; F231-L424 HydrophobicContact CE1-CB 4.3Å; F231-L424 HydrophobicContact CE1-CD2 4.26Å; F231-L424 HydrophobicContact CE1-CG 4.09Å; F231-L424 HydrophobicContact CG-CD2 4.27Å; P232-L424 WeakPolarHBondContact O-CD2 3.42Å; L233-L424 HydrophobicContact CD2-CD1 4.3Å; L233-L424 HydrophobicContact CD2-CD2 4.1Å; L398-L424 HydrophobicContact CD1-CB 3.92Å; L398-L424 HydrophobicContact CD1-CD1 4Å; I402-L424 HydrophobicContact CD1-CD1 4.01Å; I402-L424 HydrophobicContact CG1-CD1 3.73Å; F412-L424 HydrophobicContact CE1-CD2 3.62Å; F412-L424 HydrophobicContact CZ-CD2 3.65Å; L420-L424 WeakPolarHBondContact O-CB 3.42Å; L420-L424 PolarHBondContact O-N 2.93Å; I421-L424 PolarHBondContact O-N 3.16Å; K422-L424 VanDerWaalsContact C-N 3.34Å; K422-L424 PolarHBondContact O-N 3.26Å; L424-E426 PolarHBondContact O-N 3.12Å; L424-K427 PolarHBondContact O-N 2.8Å; L424-L428 HydrophobicContact CD1-CD1 4.32Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.25Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.39Å
425A98.1Very high97Very high22 Ų2241.8 Ų41.818%0.18219%0.193CC..Hα-helixtrans-58.1-49.8174.900000112.1F231 I421 K422 K427 L428 E429F231-A425 HydrophobicContact CE1-CB 4.23Å; F231-A425 HydrophobicContact CZ-CB 4.12Å; I421-A425 WeakPolarHBondContact O-CB 3.4Å; I421-A425 PolarHBondContact O-N 3.07Å; K422-A425 PolarHBondContact O-N 3.07Å; A425-K427 PolarHBondContact O-N 2.82Å; A425-L428 PolarHBondContact O-N 3.27Å; A425-E429 WeakPolarHBondContact O-CG 3.38Å; A425-E429 PolarHBondContact O-N 2.71Å
426E97.6Very high96.9Very high63 Ų6337 Ų3729%0.29417%0.173SC..Hα-helixtrans-57.8-45.6178.2-74.4176.4-162.500112.1C73 K422 L424 L428 E429 E430C73-E426 VanDerWaalsContact CB-OE2 3.25Å; C73-E426 WeakPolarHBondContact CB-OE2 3.5Å; C73-E426 PolarHBondContact SG-OE2 2.96Å; K422-E426 WeakPolarHBondContact CE-OE1 3.38Å; K422-E426 VanDerWaalsContact CG-OE1 3.31Å; K422-E426 WeakPolarHBondContact CG-OE1 3.26Å; K422-E426 IonicContact NZ-OE1 3.57Å; K422-E426 PolarHBondContact NZ-OE1 3.49Å; K422-E426 IonicContact NZ-OE2 3.23Å; K422-E426 WeakPolarHBondContact O-CG 3.42Å; K422-E426 PolarHBondContact O-N 2.69Å; L424-E426 PolarHBondContact O-N 3.12Å; E426-L428 PolarHBondContact O-N 3.13Å; E426-E429 PolarHBondContact O-N 3.23Å; E426-E430 WeakPolarHBondContact O-CG 3.4Å; E426-E430 PolarHBondContact O-N 3.16Å
427K98Very high96.6Very high13 Ų1339.2 Ų39.26%0.05719%0.186CC..Hα-helixtrans-67-35.8-179.7-72.5-73.5164.8-124.70112.8S74 Y77 L398 I402 C423 L424 A425 E430 Q431S74-K427 PolarHBondContact OG-NZ 3.37Å; Y77-K427 HydrophobicContact CD2-CD 4.31Å; Y77-K427 HydrophobicContact CG-CD 4.3Å; L398-K427 HydrophobicContact CD2-CG 4.38Å; I402-K427 HydrophobicContact CD1-CB 3.72Å; I402-K427 HydrophobicContact CD1-CG 4.24Å; C423-K427 WeakPolarHBondContact O-CB 3.46Å; C423-K427 WeakPolarHBondContact O-CG 3.27Å; C423-K427 PolarHBondContact O-N 3.19Å; L424-K427 PolarHBondContact O-N 2.8Å; A425-K427 PolarHBondContact O-N 2.82Å; K427-E430 IonicContact NZ-OE1 2.72Å; K427-E430 PolarHBondContact NZ-OE1 2.79Å; K427-E430 IonicContact NZ-OE2 3.33Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.27Å; K427-Q431 WeakPolarHBondContact O-CB 3.38Å; K427-Q431 VanDerWaalsContact O-CG 3.3Å; K427-Q431 WeakPolarHBondContact O-CG 3.4Å; K427-Q431 PolarHBondContact O-N 2.98Å
428L97.8Very high96.2Very high13 Ų1343.6 Ų43.67%0.06821%0.209CC..Hα-helixtrans-68.9-35.8175.5-66.7175000112P232 L424 A425 E426 Q432P232-L428 HydrophobicContact CB-CD1 3.94Å; P232-L428 HydrophobicContact CG-CD1 3.67Å; P232-L428 WeakPolarHBondContact O-CD1 3.49Å; L424-L428 HydrophobicContact CD1-CD1 4.32Å; L424-L428 HydrophobicContact CD1-CG 4.29Å; L424-L428 HydrophobicContact CG-CD1 4.25Å; L424-L428 WeakPolarHBondContact O-CG 3.4Å; L424-L428 PolarHBondContact O-N 3.39Å; A425-L428 PolarHBondContact O-N 3.27Å; E426-L428 PolarHBondContact O-N 3.13Å; L428-Q432 WeakPolarHBondContact O-CB 3.24Å; L428-Q432 PolarHBondContact O-N 2.83Å
429E96.8Very high95.6Very high81 Ų8144.7 Ų44.738%0.37922%0.217SC..Hα-helixtrans-68.4-40.1173.5-71.5-173.7177.200112.6H151 A425 E426 Q432 R433H151-E429 IonicContact CE1-OE1 3.77Å; A425-E429 WeakPolarHBondContact O-CG 3.38Å; A425-E429 PolarHBondContact O-N 2.71Å; E426-E429 PolarHBondContact O-N 3.23Å; E429-Q432 PolarHBondContact O-N 2.95Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE2-NH1 3.3Å
430E96.4Very high94.8Very high59 Ų5947.7 Ų47.728%0.27624%0.239SC..Hα-helixtrans-57.5-51.6171.1-72.7172.2-156.900110.8E426 K427 Q432 R433 D434E426-E430 WeakPolarHBondContact O-CG 3.4Å; E426-E430 PolarHBondContact O-N 3.16Å; K427-E430 IonicContact NZ-OE1 2.72Å; K427-E430 PolarHBondContact NZ-OE1 2.79Å; K427-E430 IonicContact NZ-OE2 3.33Å; K427-E430 PolarHBondContact NZ-OE2 2.86Å; K427-E430 PolarHBondContact O-N 3.27Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.48Å; E430-R433 VanDerWaalsContact CG-NH2 3.3Å; E430-R433 WeakPolarHBondContact O-CB 3.25Å; E430-R433 PolarHBondContact O-N 2.86Å; E430-R433 VanDerWaalsContact O-N 3.08Å; E430-D434 PolarHBondContact O-N 3.22Å
431Q96Very high93.7Very high36 Ų3653 Ų5317%0.16826%0.263CS..Hα-helixtrans-58.1-41.7177.5-74.8176.2-23.900112.4E238 I402 K427 R433 D434 W435E238-Q431 PolarHBondContact OE2-OE1 3.45Å; I402-Q431 VanDerWaalsContact CG2-NE2 3.29Å; K427-Q431 WeakPolarHBondContact O-CB 3.38Å; K427-Q431 VanDerWaalsContact O-CG 3.3Å; K427-Q431 WeakPolarHBondContact O-CG 3.4Å; K427-Q431 PolarHBondContact O-N 2.98Å; Q431-R433 VanDerWaalsContact C-N 3.33Å; Q431-R433 PolarHBondContact O-N 2.74Å; Q431-D434 PolarHBondContact O-N 3.43Å; Q431-W435 WeakPolarHBondContact O-CB 3.33Å; Q431-W435 PolarHBondContact O-N 3.45Å
432Q96.7Very high92.4Very high20 Ų2059.6 Ų59.69%0.09329%0.292CS..Hα-helixtrans-59.4-44176-177.568.611.700111.6L123 E128 L428 E429 E430 I436L123-Q432 PolarHBondContact O-NE2 2.68Å; E128-Q432 PolarHBondContact OE1-NE2 2.68Å; E128-Q432 PolarHBondContact OE2-NE2 3.41Å; L428-Q432 WeakPolarHBondContact O-CB 3.24Å; L428-Q432 PolarHBondContact O-N 2.83Å; E429-Q432 PolarHBondContact O-N 2.95Å; E430-Q432 VanDerWaalsContact C-N 3.3Å; E430-Q432 PolarHBondContact O-N 3.48Å; Q432-I436 HydrophobicContact CG-CD1 4.14Å; Q432-I436 WeakPolarHBondContact O-CB 3.35Å; Q432-I436 WeakPolarHBondContact O-CG1 3.31Å; Q432-I436 PolarHBondContact O-N 3.25Å; Q432-I436 VanDerWaalsContact O-N 3.14Å
433R96.2Very high90.9Very high108 Ų10859.5 Ų59.541%0.40830%0.295SS..Hα-helixtrans-63.3-46.4176.8-73.1-172.5-71.4-88.42.1111.7L123 E429 E430 Q431 I436 T437L123-R433 HydrophobicContact CD1-CB 4.31Å; L123-R433 HydrophobicContact CD1-CG 3.63Å; E429-R433 WeakPolarHBondContact O-CG 3.48Å; E429-R433 PolarHBondContact O-N 3.26Å; E429-R433 IonicContact OE2-NH1 3.3Å; E430-R433 VanDerWaalsContact CG-NH2 3.3Å; E430-R433 WeakPolarHBondContact O-CB 3.25Å; E430-R433 PolarHBondContact O-N 2.86Å; E430-R433 VanDerWaalsContact O-N 3.08Å; Q431-R433 VanDerWaalsContact C-N 3.33Å; Q431-R433 PolarHBondContact O-N 2.74Å; R433-I436 PolarHBondContact O-N 2.81Å; R433-T437 WeakPolarHBondContact O-CB 3.3Å; R433-T437 PolarHBondContact O-N 3.29Å; R433-T437 PolarHBondContact O-OG1 2.86Å
434D95.2Very high89.1Confident97 Ų9765.5 Ų65.552%0.51932%0.321SS..Hα-helixtrans-62.3-48-178-67.9-12.7000110.9E430 Q431 I436 T437 L438E430-D434 PolarHBondContact O-N 3.22Å; Q431-D434 PolarHBondContact O-N 3.43Å; D434-I436 PolarHBondContact O-N 3.5Å; D434-T437 PolarHBondContact O-N 2.74Å; D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.4Å; D434-L438 PolarHBondContact O-N 2.88Å
435W94.1Very high87Confident105 Ų10571.1 Ų71.140%0.39835%0.349SS..Hα-helixtrans-63.5-41.4179.5-77.9122.9000113.3F237 E238 Q431 T437 L438 S439F237-W435 HydrophobicContact CB-CB 4.16Å; F237-W435 HydrophobicContact CD1-CB 3.44Å; F237-W435 VanDerWaalsContact CD1-CB 3.44Å; F237-W435 HydrophobicContact CD1-CD2 4.1Å; F237-W435 HydrophobicContact CD1-CE3 4.5Å; F237-W435 AromaticContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD1-CG 3.63Å; F237-W435 HydrophobicContact CD2-CB 4.32Å; F237-W435 HydrophobicContact CE1-CB 3.85Å; F237-W435 HydrophobicContact CE1-CD2 4.11Å; F237-W435 HydrophobicContact CE1-CE3 4.05Å; F237-W435 HydrophobicContact CE1-CG 4.05Å; F237-W435 HydrophobicContact CG-CB 3.7Å; F237-W435 HydrophobicContact CG-CG 4.31Å; F237-W435 HydrophobicContact CZ-CB 4.45Å; E238-W435 VanDerWaalsContact CD-NE1 3.35Å; E238-W435 VanDerWaalsContact CG-NE1 3.26Å; Q431-W435 WeakPolarHBondContact O-CB 3.33Å; Q431-W435 PolarHBondContact O-N 3.45Å; W435-T437 VanDerWaalsContact C-N 3.33Å; W435-L438 HydrophobicContact CE3-CD1 4.4Å; W435-S439 VanDerWaalsContact O-CB 3.23Å; W435-S439 WeakPolarHBondContact O-CB 3.43Å; W435-S439 PolarHBondContact O-N 3.44Å
436I92.9Very high85Confident22 Ų2273.9 Ų73.911%0.11336%0.361CS..Hα-helixtrans-65.2-40.3177.1-74.6178.3000111.1L123 F237 Q432 R433 D434 S440L123-I436 VanDerWaalsContact C-CD1 3.47Å; L123-I436 HydrophobicContact CB-CD1 3.45Å; L123-I436 VanDerWaalsContact CB-CD1 3.45Å; F237-I436 HydrophobicContact CD2-CG1 4.45Å; Q432-I436 HydrophobicContact CG-CD1 4.14Å; Q432-I436 WeakPolarHBondContact O-CB 3.35Å; Q432-I436 WeakPolarHBondContact O-CG1 3.31Å; Q432-I436 PolarHBondContact O-N 3.25Å; Q432-I436 VanDerWaalsContact O-N 3.14Å; R433-I436 PolarHBondContact O-N 2.81Å; D434-I436 PolarHBondContact O-N 3.5Å; I436-S440 WeakPolarHBondContact O-CB 3.38Å; I436-S440 PolarHBondContact O-N 2.8Å; I436-S440 PolarHBondContact O-OG 2.89Å
437T91.3Very high82.8Confident71 Ų7178.5 Ų78.544%0.43638%0.376SS..Hα-helixtrans-63.9-52.1178.5-560000110.3R433 D434 W435 S439 S440 E441R433-T437 WeakPolarHBondContact O-CB 3.3Å; R433-T437 PolarHBondContact O-N 3.29Å; R433-T437 PolarHBondContact O-OG1 2.86Å; D434-T437 PolarHBondContact O-N 2.74Å; W435-T437 VanDerWaalsContact C-N 3.33Å; T437-S439 VanDerWaalsContact C-N 3.34Å; T437-S439 PolarHBondContact O-N 2.84Å; T437-S440 WeakPolarHBondContact O-CB 3.16Å; T437-S440 PolarHBondContact O-N 2.95Å; T437-S440 VanDerWaalsContact O-N 3.11Å; T437-E441 PolarHBondContact O-N 3.46Å
438L89.4Confident80.4Confident94 Ų9481.2 Ų81.249%0.49239%0.391SS..Hα-helixtrans-59.7-41.3178.1-70.8169.7000112.8D434 W435 S440 E441 K442D434-L438 WeakPolarHBondContact O-CB 3.31Å; D434-L438 VanDerWaalsContact O-CG 3.31Å; D434-L438 WeakPolarHBondContact O-CG 3.4Å; D434-L438 PolarHBondContact O-N 2.88Å; W435-L438 HydrophobicContact CE3-CD1 4.4Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 3.46Å; L438-E441 PolarHBondContact O-N 2.89Å; L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 2.84Å
439S84Confident78.4Confident33 Ų3386.3 Ų86.323%0.23142%0.417CS..Hα-helixtrans-63.4-38.8176.7-175.50000111.9W435 T437 L443W435-S439 VanDerWaalsContact O-CB 3.23Å; W435-S439 WeakPolarHBondContact O-CB 3.43Å; W435-S439 PolarHBondContact O-N 3.44Å; T437-S439 VanDerWaalsContact C-N 3.34Å; T437-S439 PolarHBondContact O-N 2.84Å; S439-L443 WeakPolarHBondContact O-CG 3.49Å; S439-L443 PolarHBondContact O-N 2.89Å; S439-L443 VanDerWaalsContact O-N 3.12Å
440S79.3Confident76.4Confident66 Ų6687.1 Ų87.146%0.46243%0.428SS..Hα-helixtrans-69.9-41179.1-58.30000112.2I436 T437 L438 L443 F444I436-S440 WeakPolarHBondContact O-CB 3.38Å; I436-S440 PolarHBondContact O-N 2.8Å; I436-S440 PolarHBondContact O-OG 2.89Å; T437-S440 WeakPolarHBondContact O-CB 3.16Å; T437-S440 PolarHBondContact O-N 2.95Å; T437-S440 VanDerWaalsContact O-N 3.11Å; L438-S440 VanDerWaalsContact C-N 3.31Å; L438-S440 PolarHBondContact O-N 3.46Å; S440-L443 PolarHBondContact O-N 3.41Å; S440-F444 PolarHBondContact O-N 3.42Å; S440-F444 VanDerWaalsContact O-N 3.08Å
441E75.4Confident74.3Confident111 Ų11189.5 Ų89.552%0.51945%0.446SS..Hα-helixtrans-63.4-42.9174.9-71.8178.2174.600112T437 L438 L443 F444 M445T437-E441 PolarHBondContact O-N 3.46Å; L438-E441 PolarHBondContact O-N 2.89Å; E441-L443 PolarHBondContact O-N 3.25Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3.39Å; E441-F444 VanDerWaalsContact O-N 3.11Å; E441-M445 WeakPolarHBondContact O-CG 3.3Å; E441-M445 PolarHBondContact O-N 3.33Å
442K70.6Confident72.2Confident145 Ų14593.4 Ų93.463%0.6347%0.473SS*.Hα-helixtrans-60.5-45.1176.3-172.1177.2180179.80111.8L438 F444 M445 D446L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 2.84Å; K442-F444 PolarHBondContact O-N 2.83Å; K442-M445 PolarHBondContact O-N 3.48Å; K442-D446 PolarHBondContact O-N 3Å
443L67.4Low69.4Low90 Ų9099.7 Ų99.747%0.47152%0.519SS..Hα-helixtrans-60.2-34.4174.8-78.4166.2000112.7S439 S440 E441 R447S439-L443 WeakPolarHBondContact O-CG 3.49Å; S439-L443 PolarHBondContact O-N 2.89Å; S439-L443 VanDerWaalsContact O-N 3.12Å; S440-L443 PolarHBondContact O-N 3.41Å; E441-L443 PolarHBondContact O-N 3.25Å; L443-R447 WeakPolarHBondContact O-CG 3.34Å; L443-R447 PolarHBondContact O-N 3Å
444F59.6Low68.1Low126 Ų12699.3 Ų99.355%0.55353%0.525SS*.Hα-helixtrans-69.3-43.6176.1-175.5-98000111.9S440 E441 K442 R447 N448S440-F444 PolarHBondContact O-N 3.42Å; S440-F444 VanDerWaalsContact O-N 3.08Å; E441-F444 WeakPolarHBondContact O-CB 3.38Å; E441-F444 PolarHBondContact O-N 3.39Å; E441-F444 VanDerWaalsContact O-N 3.11Å; K442-F444 PolarHBondContact O-N 2.83Å; F444-R447 PolarHBondContact O-N 3.42Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.39Å; F444-N448 PolarHBondContact O-N 3.28Å; F444-N448 VanDerWaalsContact O-N 3.12Å
445M55Low66.7Low119 Ų11999.4 Ų99.459%0.58653%0.525SS*.Hα-helixtrans-63.6-43.6176.3-66.8-62.7-177.600112.3E441 K442 R447 N448 L449E441-M445 WeakPolarHBondContact O-CG 3.3Å; E441-M445 PolarHBondContact O-N 3.33Å; K442-M445 PolarHBondContact O-N 3.48Å; M445-R447 VanDerWaalsContact C-N 3.3Å; M445-R447 PolarHBondContact O-N 3.03Å; M445-N448 PolarHBondContact O-N 3.39Å; M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 3.45Å; M445-L449 VanDerWaalsContact O-N 3.09Å
446D54.5Low65.1Low80 Ų8099.1 Ų99.143%0.42853%0.532SS..Hα-helixtrans-64-34178.2-71.3-18.4000112.3K442 T450K442-D446 PolarHBondContact O-N 3Å; D446-T450 PolarHBondContact O-N 3.19Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 3.04Å
447R51.7Low63.5Low160 Ų160103.6 Ų103.660%0.60456%0.557SS**Hα-helixtrans-67-43.4173.3-79.9177177.4-161-5.4112.5L443 F444 M445 L449 T450 T451L443-R447 WeakPolarHBondContact O-CG 3.34Å; L443-R447 PolarHBondContact O-N 3Å; F444-R447 PolarHBondContact O-N 3.42Å; M445-R447 VanDerWaalsContact C-N 3.3Å; M445-R447 PolarHBondContact O-N 3.03Å; R447-L449 VanDerWaalsContact C-N 3.27Å; R447-L449 PolarHBondContact O-N 3.42Å; R447-T450 WeakPolarHBondContact CA-OG1 3.26Å; R447-T450 PolarHBondContact O-N 2.85Å; R447-T450 PolarHBondContact O-OG1 2.73Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å; R447-T451 PolarHBondContact O-N 3.07Å; R447-T451 PolarHBondContact O-OG1 3.45Å
448N48.2Very low61.8Low70 Ų70105.6 Ų105.637%0.37456%0.564SS.*Hα-helixtrans-65.4-33179-70.5-18.1000112F444 M445 T451 T452F444-N448 WeakPolarHBondContact CE1-ND2 3.39Å; F444-N448 PolarHBondContact O-N 3.28Å; F444-N448 VanDerWaalsContact O-N 3.12Å; M445-N448 PolarHBondContact O-N 3.39Å; N448-T451 WeakPolarHBondContact CA-OG1 3.5Å; N448-T451 PolarHBondContact O-OG1 2.97Å; N448-T452 PolarHBondContact O-OG1 2.9Å
449L55Low59.9Low120 Ų120106.4 Ų106.463%0.62857%0.569SS**Hα-helixtrans-72.1-29.3174.6-71.9166.5000113.1M445 R447 T452M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 3.45Å; M445-L449 VanDerWaalsContact O-N 3.09Å; R447-L449 VanDerWaalsContact C-N 3.27Å; R447-L449 PolarHBondContact O-N 3.42Å; L449-T452 PolarHBondContact O-OG1 3.13Å
450T54.8Low58.2Low97 Ų97111.6 Ų111.660%0.59559%0.593SS**Hα-helixtrans-88.5-17.9178.539.30000113.7D446 R447 S453D446-T450 PolarHBondContact O-N 3.19Å; D446-T450 VanDerWaalsContact O-N 3.15Å; D446-T450 PolarHBondContact O-OG1 3.04Å; R447-T450 WeakPolarHBondContact CA-OG1 3.26Å; R447-T450 PolarHBondContact O-N 2.85Å; R447-T450 PolarHBondContact O-OG1 2.73Å; R447-T450 VanDerWaalsContact O-OG1 3.08Å; T450-S453 PolarHBondContact O-OG 3.37Å
451T53.6Low56.6Low109 Ų109115.2 Ų115.267%0.66960%0.603SS**SBendtrans-87.4-4172.247.70000114.3R447 N448R447-T451 PolarHBondContact O-N 3.07Å; R447-T451 PolarHBondContact O-OG1 3.45Å; N448-T451 WeakPolarHBondContact CA-OG1 3.5Å; N448-T451 PolarHBondContact O-OG1 2.97Å
452T50.5Low55Low118 Ų118115.5 Ų115.572%0.72461%0.61SS**  trans-107.59.6-179.643.90000113.9N448 L449N448-T452 PolarHBondContact O-OG1 2.9Å; L449-T452 PolarHBondContact O-OG1 3.13Å
453S39.6Very low53.6Low152 Ų152112.8 Ų112.8100%1.06361%0.609SS**  trans-114.80169.659.60000110.3T450T450-S453 PolarHBondContact O-OG 3.37Å

Retrieved 453 of 453 residues in 362.7 ms (Link to these results)

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