A0A5K4F7Q4_SCHMA Loading...

MAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7Q4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 899 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
1M56.4Low76.8Confident202 Ų202125.8 Ų125.8100%0.99564%0.643SS**  0-77.20-85.6176.5163.100113.8I3 V4 C5M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 2.94Å; M1-V4 WeakPolarHBondContact O-CA 3.22Å; M1-V4 WeakPolarHBondContact O-CB 3.4Å; M1-V4 PolarHBondContact O-N 3.05Å; M1-C5 PolarHBondContact O-N 3.3Å
2K71.5Confident77.2Confident193 Ų193121.2 Ų121.284%0.83962%0.624SS**Hα-helixtrans-42.5-47-167.6-66.3-176178.8-1800116V4 C5 S6K2-V4 PolarHBondContact O-N 3.45Å; K2-C5 PolarHBondContact O-N 2.91Å; K2-S6 PolarHBondContact O-N 3.19Å
3I77.5Confident77.1Confident134 Ų134118 Ų11869%0.68761%0.609SS**Hα-helixtrans-61.5-40.9177.7-64.6169.8000112.7M1 S6 I7M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 2.94Å; I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.13Å; I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.22Å
4V79Confident77.1Confident99 Ų99115 Ų11560%0.660%0.603SS**Hα-helixtrans-67.1-42.5-179.9-176.20000110.7M1 K2 S6 I7 L8M1-V4 WeakPolarHBondContact O-CA 3.22Å; M1-V4 WeakPolarHBondContact O-CB 3.4Å; M1-V4 PolarHBondContact O-N 3.05Å; K2-V4 PolarHBondContact O-N 3.45Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 2.83Å; V4-I7 PolarHBondContact O-N 3.42Å; V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 PolarHBondContact O-N 3.26Å
5C74.2Confident77.1Confident81 Ų81111.7 Ų111.755%0.54759%0.589SS.*Hα-helixtrans-62.9-38.5173.8-59.40000111.7M1 K2 L8 F9M1-C5 PolarHBondContact O-N 3.3Å; K2-C5 PolarHBondContact O-N 2.91Å; C5-L8 PolarHBondContact O-N 3.43Å; C5-F9 VanDerWaalsContact O-CB 3.24Å; C5-F9 WeakPolarHBondContact O-CB 3.37Å; C5-F9 PolarHBondContact O-N 2.85Å
6S78.5Confident76.8Confident67 Ų67112.8 Ų112.847%0.46959%0.588SS.*Hα-helixtrans-64.1-44.4176.3177.70000112.3K2 I3 V4 F9 L10K2-S6 PolarHBondContact O-N 3.19Å; I3-S6 WeakPolarHBondContact O-CB 3.41Å; I3-S6 PolarHBondContact O-N 3.13Å; V4-S6 VanDerWaalsContact C-N 3.31Å; V4-S6 PolarHBondContact O-N 2.83Å; S6-F9 PolarHBondContact O-N 3.43Å; S6-L10 WeakPolarHBondContact O-CB 3.26Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.37Å; S6-L10 PolarHBondContact O-N 2.96Å
7I81.8Confident76.4Confident109 Ų109110.2 Ų110.256%0.55958%0.577SS**Hα-helixtrans-63.8-43.5175.5-66.7166.1000110.9I3 V4 L10 F11I3-I7 HydrophobicContact CG2-CD1 3.88Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.22Å; V4-I7 PolarHBondContact O-N 3.42Å; I7-L10 PolarHBondContact O-N 3.04Å; I7-F11 PolarHBondContact O-N 3.47Å
8L80.7Confident75.8Confident116 Ų116107.8 Ų107.861%0.60758%0.576SS**Hα-helixtrans-65.6-40.1178.5-161.776.4000111.9V4 C5 F11 V12V4-L8 WeakPolarHBondContact O-CB 3.46Å; V4-L8 PolarHBondContact O-N 3.26Å; C5-L8 PolarHBondContact O-N 3.43Å; L8-F11 PolarHBondContact O-N 2.84Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.35Å
9F82.1Confident74.9Confident143 Ų143107.5 Ų107.563%0.62757%0.574SS**Hα-helixtrans-68.1-39177.1-161.8-98.3000111.7C5 S6 V12 L13C5-F9 VanDerWaalsContact O-CB 3.24Å; C5-F9 WeakPolarHBondContact O-CB 3.37Å; C5-F9 PolarHBondContact O-N 2.85Å; S6-F9 PolarHBondContact O-N 3.43Å; F9-V12 PolarHBondContact O-N 3.15Å; F9-L13 HydrophobicContact CD1-CD1 3.68Å; F9-L13 HydrophobicContact CD1-CG 4.28Å; F9-L13 HydrophobicContact CE1-CD1 3.71Å; F9-L13 HydrophobicContact CE1-CG 4.25Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 WeakPolarHBondContact O-CG 3.31Å; F9-L13 PolarHBondContact O-N 2.86Å
10L82.3Confident74Confident100 Ų100109.3 Ų109.352%0.52458%0.583SS.*Hα-helixtrans-62.2-42.5170.3-75.4170.9000111.5S6 I7 L13 S14S6-L10 WeakPolarHBondContact O-CB 3.26Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.37Å; S6-L10 PolarHBondContact O-N 2.96Å; I7-L10 PolarHBondContact O-N 3.04Å; L10-L13 CarbonylContact O-C 3.53Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.32Å; L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.39Å; L10-S14 VanDerWaalsContact O-OG 3.09Å
11F81.1Confident72.8Confident140 Ų140109.8 Ų109.861%0.61458%0.584SS**Hα-helixtrans-65.4-42.2177.2-166.2-93.7000112.3I7 L8 L13 S14 V15I7-F11 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 2.84Å; F11-L13 VanDerWaalsContact C-N 3.33Å; F11-L13 PolarHBondContact O-N 2.8Å; F11-S14 PolarHBondContact O-N 3.46Å; F11-V15 HydrophobicContact CD1-CG2 4.06Å; F11-V15 HydrophobicContact CE1-CG2 3.78Å; F11-V15 HydrophobicContact CZ-CG2 4.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 3.08Å
12V80.7Confident71.9Confident70 Ų70109 Ų10942%0.42457%0.57SS.*Hα-helixtrans-64.7-37174171.20000111.5L8 F9 K16L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 3.15Å; V12-K16 HydrophobicContact CG1-CD 4.46Å; V12-K16 WeakPolarHBondContact O-CB 3.32Å; V12-K16 WeakPolarHBondContact O-CG 3.26Å; V12-K16 PolarHBondContact O-N 2.77Å
13L77.1Confident70.1Confident80 Ų80103.6 Ų103.642%0.41956%0.555SS.*Hα-helixtrans-64.3-47.7170.2-80.7168.7000111.2F9 L10 F11 V15 K16 V17F9-L13 HydrophobicContact CD1-CD1 3.68Å; F9-L13 HydrophobicContact CD1-CG 4.28Å; F9-L13 HydrophobicContact CE1-CD1 3.71Å; F9-L13 HydrophobicContact CE1-CG 4.25Å; F9-L13 WeakPolarHBondContact O-CB 3.49Å; F9-L13 WeakPolarHBondContact O-CG 3.31Å; F9-L13 PolarHBondContact O-N 2.86Å; L10-L13 CarbonylContact O-C 3.53Å; L10-L13 WeakPolarHBondContact O-CB 3.41Å; L10-L13 PolarHBondContact O-N 3.32Å; F11-L13 VanDerWaalsContact C-N 3.33Å; F11-L13 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.45Å; L13-K16 CarbonylContact O-C 3.54Å; L13-K16 PolarHBondContact O-N 3.33Å; L13-V17 VanDerWaalsContact O-CB 3.23Å; L13-V17 WeakPolarHBondContact O-CB 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 2.87Å
14S76.9Confident68.2Low76 Ų76106.8 Ų106.853%0.53156%0.563SS.*Hα-helixtrans-59.9-39.1177.1-64.50000112.5L10 F11 A18L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 2.94Å; L10-S14 PolarHBondContact O-OG 3.39Å; L10-S14 VanDerWaalsContact O-OG 3.09Å; F11-S14 PolarHBondContact O-N 3.46Å; S14-A18 VanDerWaalsContact O-CB 3.22Å; S14-A18 WeakPolarHBondContact O-CB 3.39Å; S14-A18 PolarHBondContact O-N 3.33Å
15V76.4Confident66.1Low65 Ų65109.5 Ų109.539%0.39457%0.568SS.*Hα-helixtrans-70.6-43175.2172.40000111.4F11 L13 V17 A18 L19F11-V15 HydrophobicContact CD1-CG2 4.06Å; F11-V15 HydrophobicContact CE1-CG2 3.78Å; F11-V15 HydrophobicContact CZ-CG2 4.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.26Å; F11-V15 PolarHBondContact O-N 3.08Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.45Å; V15-V17 VanDerWaalsContact C-N 3.34Å; V15-V17 PolarHBondContact O-N 3.49Å; V15-A18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 3.43Å
16K72.5Confident64Low130 Ų130112.5 Ų112.557%0.56558%0.578SS**Hα-helixtrans-65.8-35.5174.4-78.2-173.1173.9-173.70112.6V12 L13 L19 L20V12-K16 HydrophobicContact CG1-CD 4.46Å; V12-K16 WeakPolarHBondContact O-CB 3.32Å; V12-K16 WeakPolarHBondContact O-CG 3.26Å; V12-K16 PolarHBondContact O-N 2.77Å; L13-K16 CarbonylContact O-C 3.54Å; L13-K16 PolarHBondContact O-N 3.33Å; K16-L19 CarbonylContact O-C 3.6Å; K16-L19 PolarHBondContact O-N 2.97Å; K16-L20 WeakPolarHBondContact O-CB 3.35Å; K16-L20 WeakPolarHBondContact O-CG 3.07Å; K16-L20 PolarHBondContact O-N 3.5Å
17V70.8Confident62Low68 Ų68118.1 Ų118.141%0.41259%0.591SS.*Hα-helixtrans-74.2-33.2175.1171.30000110.7L13 V15 L19 L20 I21L13-V17 VanDerWaalsContact O-CB 3.23Å; L13-V17 WeakPolarHBondContact O-CB 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 2.87Å; V15-V17 VanDerWaalsContact C-N 3.34Å; V15-V17 PolarHBondContact O-N 3.49Å; V17-L19 VanDerWaalsContact C-N 3.25Å; V17-L19 PolarHBondContact O-N 3.24Å; V17-L20 PolarHBondContact O-N 3.24Å; V17-I21 HydrophobicContact CG1-CD1 3.56Å; V17-I21 HydrophobicContact CG1-CG1 4.03Å; V17-I21 WeakPolarHBondContact O-CA 3.31Å; V17-I21 WeakPolarHBondContact O-CB 3.45Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.26Å; V17-I21 PolarHBondContact O-N 3.08Å
18A65.3Low60.2Low67 Ų67119.5 Ų119.555%0.55460%0.597SS**Hα-helixtrans-70.6-20.3168.600000113.2S14 V15 I21 R22S14-A18 VanDerWaalsContact O-CB 3.22Å; S14-A18 WeakPolarHBondContact O-CB 3.39Å; S14-A18 PolarHBondContact O-N 3.33Å; V15-A18 PolarHBondContact O-N 2.81Å; A18-I21 CarbonylContact O-C 3.59Å; A18-I21 VanDerWaalsContact O-C 3.28Å; A18-R22 PolarHBondContact O-N 3.41Å; A18-R22 VanDerWaalsContact O-N 3.09Å
19L58.9Low59Low103 Ų103122.4 Ų122.454%0.53960%0.6SS.*Hα-helixtrans-90.1-27.6173.1-72.6166.6000113.4V15 K16 V17 R22V15-L19 HydrophobicContact CG1-CD1 4.03Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 3.43Å; K16-L19 CarbonylContact O-C 3.6Å; K16-L19 PolarHBondContact O-N 2.97Å; V17-L19 VanDerWaalsContact C-N 3.25Å; V17-L19 PolarHBondContact O-N 3.24Å; L19-R22 VanDerWaalsContact O-CB 3.31Å; L19-R22 WeakPolarHBondContact O-CB 3.49Å; L19-R22 WeakPolarHBondContact O-CG 3.39Å; L19-R22 PolarHBondContact O-N 3.43Å
20L55.8Low58.6Low143 Ų143117.4 Ų117.475%0.74958%0.58SS**Hα-helixtrans-87-28.3173.4-74.9164000112.6K16 V17K16-L20 WeakPolarHBondContact O-CB 3.35Å; K16-L20 WeakPolarHBondContact O-CG 3.07Å; K16-L20 PolarHBondContact O-N 3.5Å; V17-L20 PolarHBondContact O-N 3.24Å
21I49.2Very low58.7Low119 Ų119114.3 Ų114.361%0.6157%0.566SS**THydrogen-bonded Turntrans-95.938.5154.9-38.1170.6000108.7V17 A18 P23V17-I21 HydrophobicContact CG1-CD1 3.56Å; V17-I21 HydrophobicContact CG1-CG1 4.03Å; V17-I21 WeakPolarHBondContact O-CA 3.31Å; V17-I21 WeakPolarHBondContact O-CB 3.45Å; V17-I21 VanDerWaalsContact O-CG1 3.23Å; V17-I21 WeakPolarHBondContact O-CG1 3.26Å; V17-I21 PolarHBondContact O-N 3.08Å; A18-I21 CarbonylContact O-C 3.59Å; A18-I21 VanDerWaalsContact O-C 3.28Å; I21-P23 VanDerWaalsContact C-N 3.3Å; I21-P23 VanDerWaalsContact O-CD 3.32Å; I21-P23 WeakPolarHBondContact O-CD 3.15Å
22R37.9Very low59Low186 Ų186107.6 Ų107.670%0.70254%0.537SS*.SBend-58.7112.3123.9-82.4-173.7171.3-154-1.8103.4A18 L19 K24A18-R22 PolarHBondContact O-N 3.41Å; A18-R22 VanDerWaalsContact O-N 3.09Å; L19-R22 VanDerWaalsContact O-CB 3.31Å; L19-R22 WeakPolarHBondContact O-CB 3.49Å; L19-R22 WeakPolarHBondContact O-CG 3.39Å; L19-R22 PolarHBondContact O-N 3.43Å; R22-K24 PolarHBondContact O-N 3.08Å; R22-K24 VanDerWaalsContact O-N 3.14Å
23P33.5Very low59.5Low79 Ų79107.2 Ų107.251%0.51353%0.532SS..  trans-54.4131.1-177.222.7-34.1000108I21 F25I21-P23 VanDerWaalsContact C-N 3.3Å; I21-P23 VanDerWaalsContact O-CD 3.32Å; I21-P23 WeakPolarHBondContact O-CD 3.15Å; P23-F25 HydrophobicContact CB-CD2 3.81Å; P23-F25 HydrophobicContact CB-CE2 4.24Å; P23-F25 HydrophobicContact CB-CG 4.34Å; P23-F25 HydrophobicContact CG-CD2 3.47Å; P23-F25 VanDerWaalsContact CG-CD2 3.47Å; P23-F25 HydrophobicContact CG-CE2 3.86Å; P23-F25 HydrophobicContact CG-CG 4.4Å; P23-F25 PolarHBondContact O-N 3.41Å
24K36.6Very low60.2Low201 Ų201103.6 Ų103.687%0.87451%0.513SS*.  trans-68.163.6148-74.1-170.7177.7-176.50108.1R22 N26R22-K24 PolarHBondContact O-N 3.08Å; R22-K24 VanDerWaalsContact O-N 3.14Å; K24-N26 PolarHBondContact O-N 3.11Å
25F35.3Very low60.8Low157 Ų157103 Ų10369%0.68951%0.507SS*.  -50.492.5126.7-76.2-57.9000105.3P23 Y27P23-F25 HydrophobicContact CB-CD2 3.81Å; P23-F25 HydrophobicContact CB-CE2 4.24Å; P23-F25 HydrophobicContact CB-CG 4.34Å; P23-F25 HydrophobicContact CG-CD2 3.47Å; P23-F25 VanDerWaalsContact CG-CD2 3.47Å; P23-F25 HydrophobicContact CG-CE2 3.86Å; P23-F25 HydrophobicContact CG-CG 4.4Å; P23-F25 PolarHBondContact O-N 3.41Å; F25-Y27 HydrophobicContact CB-CD2 4.48Å; F25-Y27 PolarHBondContact O-N 3.41Å
26N31.2Very low61.4Low144 Ų14499.9 Ų99.977%0.7749%0.488SS*.  -42.190.3116.6-71.5-16000105.2K24 I28K24-N26 PolarHBondContact O-N 3.11Å; N26-I28 PolarHBondContact O-N 2.91Å
27Y35.9Very low62.1Low185 Ų18598 Ų9873%0.72548%0.481SS*.  trans-47.5130166.8-127.4-97.6000103.5F25 R29F25-Y27 HydrophobicContact CB-CD2 4.48Å; F25-Y27 PolarHBondContact O-N 3.41Å; Y27-R29 PolarHBondContact O-N 3.26Å
28I43.8Very low62.7Low137 Ų137100.9 Ų100.970%0.70349%0.494SS*.  trans-63.987.1154-61.1174.8000102N26 N30N26-I28 PolarHBondContact O-N 2.91Å; I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.2Å
29R56.5Low63.7Low177 Ų17799.5 Ų99.567%0.66849%0.487SS*.  trans-56.4105.4-177.3-102.7-165.3178.4-131.80.9103.1Y27 P31Y27-R29 PolarHBondContact O-N 3.26Å; R29-P31 VanDerWaalsContact O-CD 3.24Å; R29-P31 WeakPolarHBondContact O-CD 3.46Å
30N73.8Confident65.1Low39 Ų3997.9 Ų97.921%0.20948%0.481CS..  trans-61113.7-171.7178.2-29.2000105.3I28 L32 N33 I111 S221I28-N30 VanDerWaalsContact C-N 3.31Å; I28-N30 PolarHBondContact O-N 3.2Å; N30-L32 PolarHBondContact O-N 3.23Å; N30-L32 PolarHBondContact OD1-N 3.49Å; N30-N33 HydrophobicContact CB-CB 4.15Å; N30-N33 VanDerWaalsContact CG-OD1 3.31Å; N30-N33 PolarHBondContact ND2-OD1 3.39Å; N30-N33 PolarHBondContact O-N 2.92Å; N30-N33 PolarHBondContact OD1-OD1 2.88Å; N30-I111 WeakPolarHBondContact OD1-CD1 3.42Å; N30-S221 VanDerWaalsContact CG-OG 3.24Å; N30-S221 PolarHBondContact ND2-O 2.87Å; N30-S221 PolarHBondContact ND2-OG 3.18Å; N30-S221 PolarHBondContact OD1-OG 2.89Å
31P82.7Confident66.7Low34 Ų3492.9 Ų92.922%0.22146%0.455CS..THydrogen-bonded Turntrans-69.90.4-161.227.6-36.5000113.5R29 G98 V100R29-P31 VanDerWaalsContact O-CD 3.24Å; R29-P31 WeakPolarHBondContact O-CD 3.46Å; P31-G98 PolarHBondContact O-N 2.73Å; P31-V100 HydrophobicContact CG-CG2 4.04Å
32L88.6Confident68.5Low0 Ų088.7 Ų88.70%044%0.436CS..THydrogen-bonded Turntrans-105.4-27.4175.7-50.8-175.8000112.7N30 C34 W44 S97 V100 I111 L114 L182 L199 I219N30-L32 PolarHBondContact O-N 3.23Å; N30-L32 PolarHBondContact OD1-N 3.49Å; L32-C34 PolarHBondContact O-N 2.9Å; L32-W44 HydrophobicContact CB-CZ2 4.42Å; L32-W44 HydrophobicContact CD2-CZ2 4.41Å; L32-W44 PolarHBondContact O-NE1 2.92Å; L32-S97 WeakPolarHBondContact CD2-OG 3.47Å; L32-V100 HydrophobicContact CD1-CG2 4.16Å; L32-V100 HydrophobicContact CD2-CG2 3.63Å; L32-V100 HydrophobicContact CG-CG2 3.98Å; L32-I111 HydrophobicContact CD1-CD1 4.02Å; L32-I111 HydrophobicContact CD1-CG2 4.26Å; L32-I111 HydrophobicContact CG-CD1 4.36Å; L32-L114 HydrophobicContact CB-CD1 4.25Å; L32-L114 HydrophobicContact CD1-CD1 4.23Å; L32-L182 HydrophobicContact CD1-CD1 4.47Å; L32-L199 HydrophobicContact CD1-CD1 3.81Å; L32-L199 HydrophobicContact CD2-CB 4.38Å; L32-L199 HydrophobicContact CD2-CD1 3.82Å; L32-L199 HydrophobicContact CD2-CG 4.01Å; L32-L199 HydrophobicContact CG-CD1 4.43Å; L32-I219 VanDerWaalsContact O-CG2 3.24Å; L32-I219 WeakPolarHBondContact O-CG2 3.42Å
33N89.9Confident70.8Confident62 Ų6282.1 Ų82.133%0.33243%0.426SS..  trans-74.2122.1-167.9-72.615000111.6N30 I219 S221N30-N33 HydrophobicContact CB-CB 4.15Å; N30-N33 VanDerWaalsContact CG-OD1 3.31Å; N30-N33 PolarHBondContact ND2-OD1 3.39Å; N30-N33 PolarHBondContact O-N 2.92Å; N30-N33 PolarHBondContact OD1-OD1 2.88Å; N33-I219 CarbonylContact C-O 3.6Å; N33-I219 VanDerWaalsContact CA-O 3.3Å; N33-I219 WeakPolarHBondContact CA-O 3.24Å; N33-S221 PolarHBondContact OD1-N 3.44Å; N33-S221 PolarHBondContact OD1-OG 3.28Å
34C91.8Very high73.6Confident3 Ų378.8 Ų78.82%0.0240%0.403CS..BIsolated β-bridgetrans-152.5130.9175.5-163.20000112.9L32 Y36 L41 C42 I219L32-C34 PolarHBondContact O-N 2.9Å; C34-Y36 HydrophobicContact CB-CE1 4.2Å; C34-Y36 WeakPolarHBondContact SG-CD1 3.11Å; C34-Y36 WeakPolarHBondContact SG-CE1 3.41Å; C34-L41 VanDerWaalsContact SG-C 3.6Å; C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.5Å; C34-C42 VanDerWaalsContact CB-CB 3.5Å; C34-C42 WeakPolarHBondContact CB-SG 3.38Å; C34-C42 WeakPolarHBondContact SG-CB 3.36Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.3Å; C34-I219 PolarHBondContact N-O 2.76Å; C34-I219 PolarHBondContact O-N 2.79Å
35T89.6Confident76.2Confident64 Ų6472.3 Ų72.339%0.39338%0.378SS..  trans-115.34.4176.259.50000112.8E37T35-E37 PolarHBondContact O-N 3.38Å
36Y89.9Confident78.8Confident0 Ų069 Ų690%037%0.366CS..  trans56.2-7177.2-50.5-70.9000118.4C34 D38 G39 V57 K66 L68 I219C34-Y36 HydrophobicContact CB-CE1 4.2Å; C34-Y36 WeakPolarHBondContact SG-CD1 3.11Å; C34-Y36 WeakPolarHBondContact SG-CE1 3.41Å; Y36-D38 VanDerWaalsContact C-N 3.27Å; Y36-D38 PolarHBondContact O-N 2.9Å; Y36-G39 WeakPolarHBondContact O-CA 3.48Å; Y36-G39 PolarHBondContact O-N 3.37Å; Y36-V57 HydrophobicContact CD1-CG2 3.83Å; Y36-V57 HydrophobicContact CG-CG2 4.4Å; Y36-K66 WeakPolarHBondContact O-CB 3.4Å; Y36-K66 VanDerWaalsContact O-CD 3.32Å; Y36-K66 WeakPolarHBondContact O-CD 3.46Å; Y36-L68 HydrophobicContact CD1-CB 4.06Å; Y36-L68 HydrophobicContact CD1-CD1 4.31Å; Y36-L68 HydrophobicContact CD2-CB 4.11Å; Y36-L68 HydrophobicContact CE1-CB 3.69Å; Y36-L68 HydrophobicContact CE1-CD1 4Å; Y36-L68 HydrophobicContact CE1-CD2 4.09Å; Y36-L68 HydrophobicContact CE1-CG 4.15Å; Y36-L68 HydrophobicContact CE2-CB 3.74Å; Y36-L68 HydrophobicContact CG-CB 4.27Å; Y36-I219 HydrophobicContact CE2-CG1 4.47Å; Y36-I219 WeakPolarHBondContact OH-CD1 3.46Å
37E87.5Confident81.6Confident90 Ų9062.4 Ų62.442%0.42133%0.331SS..THydrogen-bonded Turntrans-52.9-36.2180-69.2-62.311400114.1T35 G39 T65 K66T35-E37 PolarHBondContact O-N 3.38Å; E37-G39 PolarHBondContact O-N 3.24Å; E37-G39 VanDerWaalsContact O-N 3.09Å; E37-T65 WeakPolarHBondContact OE1-CA 3.24Å; E37-T65 WeakPolarHBondContact OE1-CB 3.46Å; E37-K66 WeakPolarHBondContact O-CD 3.5Å; E37-K66 WeakPolarHBondContact O-CE 3.47Å; E37-K66 PolarHBondContact OE1-N 2.91Å
38D84.1Confident83.9Confident128 Ų12858.3 Ų58.368%0.68433%0.327SS*.THydrogen-bonded Turntrans-66-5.9174-70.7-20.4000113.4Y36 T40Y36-D38 VanDerWaalsContact C-N 3.27Å; Y36-D38 PolarHBondContact O-N 2.9Å; D38-T40 HydrophobicContact CB-CG2 4.29Å; D38-T40 PolarHBondContact O-N 3.3Å
39G85.3Confident85.8Confident39 Ų3956.5 Ų56.540%0.40231%0.311SS..SBendtrans75.7-0.9-169.500000114.2Y36 E37Y36-G39 WeakPolarHBondContact O-CA 3.48Å; Y36-G39 PolarHBondContact O-N 3.37Å; E37-G39 PolarHBondContact O-N 3.24Å; E37-G39 VanDerWaalsContact O-N 3.09Å
40T88.2Confident87.1Confident69 Ų6949.5 Ų49.542%0.42329%0.287SS..SBendtrans-104.3163.9-175.676.10000112.7D38 C42D38-T40 HydrophobicContact CB-CG2 4.29Å; D38-T40 PolarHBondContact O-N 3.3Å; T40-C42 PolarHBondContact O-N 2.82Å; T40-C42 PolarHBondContact OG1-N 3.35Å
41L88.7Confident87.4Confident37 Ų3751.9 Ų51.919%0.19430%0.302CS..  trans-80.18.3173.6-55.7176.2000113.4C34 G43 W44 M46 V57 L68 L95C34-L41 VanDerWaalsContact SG-C 3.6Å; L41-G43 PolarHBondContact O-N 3.43Å; L41-W44 HydrophobicContact CB-CB 4.34Å; L41-W44 WeakPolarHBondContact CB-O 3.48Å; L41-W44 WeakPolarHBondContact CD1-O 3.16Å; L41-W44 WeakPolarHBondContact O-CB 3.42Å; L41-W44 PolarHBondContact O-N 3.39Å; L41-M46 HydrophobicContact CD1-CE 3.85Å; L41-M46 HydrophobicContact CD1-CG 4.14Å; L41-V57 HydrophobicContact CD2-CG2 3.96Å; L41-L68 HydrophobicContact CD2-CD1 3.35Å; L41-L95 HydrophobicContact CD1-CD1 4.19Å
42C88.7Confident87.4Confident32 Ų3253.9 Ų53.922%0.21631%0.311CS..THydrogen-bonded Turntrans58.22.8-179.8-46.30000117.7C34 T40C34-C42 WeakPolarHBondContact CA-SG 3.23Å; C34-C42 HydrophobicContact CB-CB 3.5Å; C34-C42 VanDerWaalsContact CB-CB 3.5Å; C34-C42 WeakPolarHBondContact CB-SG 3.38Å; C34-C42 WeakPolarHBondContact SG-CB 3.36Å; C34-C42 CovalentContact SG-SG 2.04Å; C34-C42 PolarHBondContact SG-SG 3.3Å; T40-C42 PolarHBondContact O-N 2.82Å; T40-C42 PolarHBondContact OG1-N 3.35Å
43G85.9Confident87.3Confident48 Ų4854 Ų5450%0.49531%0.312SS..THydrogen-bonded Turntrans1118.9-170.200000114.3L41L41-G43 PolarHBondContact O-N 3.43Å
44W91.5Very high87.4Confident9 Ų953 Ų533%0.03431%0.306CS..  trans-83.7134.2161.7-68.875.3000110.1L32 L41 L95 W96 S97 L199 L201 I219L32-W44 HydrophobicContact CB-CZ2 4.42Å; L32-W44 HydrophobicContact CD2-CZ2 4.41Å; L32-W44 PolarHBondContact O-NE1 2.92Å; L41-W44 HydrophobicContact CB-CB 4.34Å; L41-W44 WeakPolarHBondContact CB-O 3.48Å; L41-W44 WeakPolarHBondContact CD1-O 3.16Å; L41-W44 WeakPolarHBondContact O-CB 3.42Å; L41-W44 PolarHBondContact O-N 3.39Å; W44-L95 HydrophobicContact CB-CD1 4.13Å; W44-L95 HydrophobicContact CB-CD2 3.66Å; W44-L95 HydrophobicContact CB-CG 3.81Å; W44-L95 HydrophobicContact CD2-CD2 3.88Å; W44-L95 HydrophobicContact CD2-CG 4.45Å; W44-L95 HydrophobicContact CE3-CD2 3.6Å; W44-L95 HydrophobicContact CE3-CG 3.9Å; W44-L95 HydrophobicContact CG-CD2 3.96Å; W44-L95 HydrophobicContact CG-CG 4.48Å; W44-L95 HydrophobicContact CZ3-CD2 4.47Å; W44-W96 CarbonylContact C-O 3.6Å; W44-W96 WeakPolarHBondContact CA-O 3.39Å; W44-W96 VanDerWaalsContact CE3-C 3.49Å; W44-S97 VanDerWaalsContact CE3-CA 3.48Å; W44-S97 VanDerWaalsContact CE3-N 3.33Å; W44-L199 HydrophobicContact CH2-CB 4.15Å; W44-L199 HydrophobicContact CZ3-CB 4.47Å; W44-L201 HydrophobicContact CZ3-CB 4.24Å; W44-I219 HydrophobicContact CZ2-CD1 4.07Å; W44-I219 HydrophobicContact CZ2-CG2 4.1Å
45N91.8Very high87.4Confident65 Ų6552.9 Ų52.935%0.34831%0.305SS..EExtended strand (participates in β ladder)trans-109.1139-176.8-67.9-1.3000110.7W96N45-W96 PolarHBondContact N-O 2.93Å; N45-W96 PolarHBondContact O-N 3.42Å
46M89.9Confident87.5Confident88 Ų8854.4 Ų54.443%0.43331%0.308SS..EExtended strand (participates in β ladder)trans-72.3151.1173.3-56.8-171.7-155.100110.9L41 P48 W55 L95L41-M46 HydrophobicContact CD1-CE 3.85Å; L41-M46 HydrophobicContact CD1-CG 4.14Å; M46-P48 WeakPolarHBondContact O-CD 3.37Å; M46-W55 WeakPolarHBondContact CE-O 3.49Å; M46-L95 HydrophobicContact CG-CD1 4.05Å
47D89.1Confident87.6Confident5 Ų555.9 Ų55.93%0.02732%0.317CS..  trans-79.7113.5171.6-161-46000110.7R49 D50 R94 W96D47-R49 PolarHBondContact O-N 2.87Å; D47-R49 WeakPolarHBondContact OD1-CB 3.42Å; D47-R49 WeakPolarHBondContact OD1-CG 3.39Å; D47-R49 IonicContact OD1-CZ 3.68Å; D47-R49 PolarHBondContact OD1-N 2.89Å; D47-R49 IonicContact OD1-NE 3.57Å; D47-R49 PolarHBondContact OD1-NE 3.31Å; D47-R49 IonicContact OD1-NH2 3.88Å; D47-R49 PolarHBondContact OD1-NH2 3.46Å; D47-R49 IonicContact OD2-CZ 3.85Å; D47-R49 IonicContact OD2-NE 2.73Å; D47-R49 IonicContact OD2-NH2 3.48Å; D47-R49 PolarHBondContact OD2-NH2 2.92Å; D47-D50 PolarHBondContact O-N 3.44Å; D47-D50 VanDerWaalsContact O-N 3.11Å; D47-R94 HydrophobicContact CB-CB 3.88Å; D47-R94 PolarHBondContact N-O 3.12Å; D47-R94 IonicContact OD1-NH2 3.4Å; D47-R94 IonicContact OD2-CZ 3.66Å; D47-R94 IonicContact OD2-NE 2.68Å; D47-R94 IonicContact OD2-NH1 3.41Å; D47-R94 IonicContact OD2-NH2 2.71Å; D47-W96 PolarHBondContact OD2-NE1 3.04Å
48P85.1Confident87.8Confident98 Ų9853.2 Ų53.264%0.63631%0.307SS*.THydrogen-bonded Turntrans-68.7-4.8-175.329.5-36.6000113.8M46 P816M46-P48 WeakPolarHBondContact O-CD 3.37Å; P48-P816 HydrophobicContact CG-CG 4.25Å
49R84Confident88.1Confident99 Ų9951.9 Ų51.937%0.37430%0.3SS..THydrogen-bonded Turntrans-83.4-16.8175-60.8170.9-71.3-156.9-4.4112.8D47 V51D47-R49 PolarHBondContact O-N 2.87Å; D47-R49 WeakPolarHBondContact OD1-CB 3.42Å; D47-R49 WeakPolarHBondContact OD1-CG 3.39Å; D47-R49 IonicContact OD1-CZ 3.68Å; D47-R49 PolarHBondContact OD1-N 2.89Å; D47-R49 IonicContact OD1-NE 3.57Å; D47-R49 PolarHBondContact OD1-NE 3.31Å; D47-R49 IonicContact OD1-NH2 3.88Å; D47-R49 PolarHBondContact OD1-NH2 3.46Å; D47-R49 IonicContact OD2-CZ 3.85Å; D47-R49 IonicContact OD2-NE 2.73Å; D47-R49 IonicContact OD2-NH2 3.48Å; D47-R49 PolarHBondContact OD2-NH2 2.92Å; R49-V51 PolarHBondContact O-N 3.02Å; R49-V51 VanDerWaalsContact O-N 3.1Å
50D84.1Confident88.1Confident30 Ų3051.4 Ų51.416%0.1629%0.287CS..  trans-90.273.9-172-66-10.3000110.7D47 L52 A93 R94D47-D50 PolarHBondContact O-N 3.44Å; D47-D50 VanDerWaalsContact O-N 3.11Å; D50-L52 PolarHBondContact O-N 3.37Å; D50-A93 HydrophobicContact CB-CB 4.33Å; D50-A93 WeakPolarHBondContact OD2-CA 3.48Å; D50-R94 IonicContact OD1-CZ 3.98Å; D50-R94 IonicContact OD1-NE 3.71Å; D50-R94 PolarHBondContact OD1-NE 2.97Å; D50-R94 IonicContact OD1-NH2 2.83Å; D50-R94 PolarHBondContact OD1-NH2 3.14Å; D50-R94 VanDerWaalsContact OD2-CB 3.3Å; D50-R94 WeakPolarHBondContact OD2-CB 3.24Å; D50-R94 WeakPolarHBondContact OD2-CG 3.37Å; D50-R94 IonicContact OD2-CZ 2.99Å; D50-R94 PolarHBondContact OD2-N 3.42Å; D50-R94 IonicContact OD2-NE 3.36Å; D50-R94 PolarHBondContact OD2-NE 2.92Å; D50-R94 IonicContact OD2-NH2 3.47Å
51V78.8Confident87.8Confident89 Ų8953.5 Ų53.554%0.53930%0.303SS..  trans-71.6-26.1-170-176.80000113.7R49 N73 L76R49-V51 PolarHBondContact O-N 3.02Å; R49-V51 VanDerWaalsContact O-N 3.1Å; V51-N73 WeakPolarHBondContact O-CB 3.49Å; V51-N73 PolarHBondContact O-ND2 3.33Å; V51-L76 HydrophobicContact CG1-CD1 4.48Å
52L83.1Confident87.3Confident77 Ų7756.6 Ų56.640%0.40333%0.327SS..SBendtrans-85.9-26.1-168-57.8178.7000114.3D50 N73 L76 I91D50-L52 PolarHBondContact O-N 3.37Å; L52-N73 PolarHBondContact O-N 2.84Å; L52-L76 HydrophobicContact CD2-CD1 4.31Å; L52-L76 HydrophobicContact CD2-CD2 3.92Å; L52-I91 HydrophobicContact CB-CB 4.01Å; L52-I91 HydrophobicContact CB-CG2 3.92Å; L52-I91 HydrophobicContact CD1-CG2 3.84Å
53A87Confident86.8Confident1 Ų160.9 Ų60.91%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-141.6151.1-179.800000109.4L70 L71 I91 A93A53-L70 HydrophobicContact CB-CD1 4.16Å; A53-L71 CarbonylContact C-O 3.5Å; A53-L71 VanDerWaalsContact CA-O 3.29Å; A53-L71 WeakPolarHBondContact CA-O 3.49Å; A53-L71 WeakPolarHBondContact CB-O 3.41Å; A53-I91 HydrophobicContact CB-CB 4.49Å; A53-I91 HydrophobicContact CB-CD1 4.09Å; A53-I91 HydrophobicContact CB-CG1 4.1Å; A53-A93 HydrophobicContact CB-CB 4.13Å; A53-A93 VanDerWaalsContact O-CB 3.28Å; A53-A93 WeakPolarHBondContact O-CB 3.41Å
54L90.5Very high86.6Confident41 Ų4167.6 Ų67.622%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-136.5156.1178.162.676.9000111.8Q56 L71 N73L54-Q56 HydrophobicContact CD1-CB 3.85Å; L54-L71 PolarHBondContact N-O 2.81Å; L54-L71 PolarHBondContact O-N 3.29Å; L54-N73 HydrophobicContact CD2-CB 4.3Å
55W92.6Very high86.3Confident1 Ų169.1 Ų69.10%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-89.6129.9169.9-71.3102.9000109.1M46 L68 L70 A93 L95 L130 L201 I214 V216M46-W55 WeakPolarHBondContact CE-O 3.49Å; W55-L68 HydrophobicContact CB-CD1 4.1Å; W55-L68 HydrophobicContact CB-CD2 3.99Å; W55-L68 HydrophobicContact CB-CG 4.06Å; W55-L68 HydrophobicContact CD2-CD2 3.96Å; W55-L68 HydrophobicContact CD2-CG 4.36Å; W55-L68 HydrophobicContact CE3-CD2 3.73Å; W55-L68 HydrophobicContact CE3-CG 3.79Å; W55-L68 HydrophobicContact CG-CD2 4.14Å; W55-L68 HydrophobicContact CZ3-CD2 4.42Å; W55-L70 HydrophobicContact CD2-CB 4.32Å; W55-L70 HydrophobicContact CD2-CD1 4.15Å; W55-L70 HydrophobicContact CE3-CB 3.9Å; W55-L70 HydrophobicContact CG-CD1 4.45Å; W55-L70 HydrophobicContact CH2-CB 4.18Å; W55-L70 HydrophobicContact CZ3-CB 3.83Å; W55-A93 PolarHBondContact NE1-O 2.97Å; W55-L95 HydrophobicContact CG-CB 4.46Å; W55-L130 HydrophobicContact CH2-CD1 3.79Å; W55-L130 HydrophobicContact CZ2-CD1 4.15Å; W55-L201 HydrophobicContact CH2-CD2 4.05Å; W55-L201 HydrophobicContact CH2-CG 4.29Å; W55-L201 HydrophobicContact CZ2-CD2 4.03Å; W55-L201 HydrophobicContact CZ2-CG 3.96Å; W55-I214 HydrophobicContact CH2-CG2 4.42Å; W55-V216 HydrophobicContact CH2-CG2 4.2Å; W55-V216 HydrophobicContact CZ3-CG2 4.3Å
56Q91.6Very high86.3Confident96 Ų9668.3 Ų68.345%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-131.3138.1179.6-165.4176.912.300110.1L54 V58 C69 L71L54-Q56 HydrophobicContact CD1-CB 3.85Å; Q56-V58 HydrophobicContact CB-CG2 4.28Å; Q56-V58 HydrophobicContact CG-CG2 4.36Å; Q56-V58 PolarHBondContact O-N 3.29Å; Q56-C69 PolarHBondContact N-O 2.95Å; Q56-C69 PolarHBondContact O-N 3.48Å; Q56-L71 HydrophobicContact CB-CD1 3.74Å
57V92.8Very high86.4Confident31 Ų3164.1 Ų64.119%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-74122.8168.1-179.50000108.2Y36 L41 K66 A67 L68Y36-V57 HydrophobicContact CD1-CG2 3.83Å; Y36-V57 HydrophobicContact CG-CG2 4.4Å; L41-V57 HydrophobicContact CD2-CG2 3.96Å; V57-K66 HydrophobicContact CG1-CB 3.82Å; V57-K66 HydrophobicContact CG1-CD 4.04Å; V57-K66 HydrophobicContact CG1-CG 4.37Å; V57-A67 WeakPolarHBondContact CA-O 3.38Å; V57-L68 HydrophobicContact CG2-CD1 3.82Å
58V91.3Very high86.6Confident35 Ų3563.9 Ų63.921%0.21234%0.34CS..EExtended strand (participates in β ladder)trans-126.9130.9-175.7179.80000109.3Q56 A67 C69 L71Q56-V58 HydrophobicContact CB-CG2 4.28Å; Q56-V58 HydrophobicContact CG-CG2 4.36Å; Q56-V58 PolarHBondContact O-N 3.29Å; V58-A67 PolarHBondContact N-O 2.9Å; V58-A67 PolarHBondContact O-N 3.22Å; V58-C69 HydrophobicContact CB-CB 4.49Å; V58-C69 HydrophobicContact CG2-CB 4.12Å; V58-L71 HydrophobicContact CG2-CD1 4.28Å
59D90Very high87Confident100 Ų10059.4 Ų59.454%0.53531%0.311SS..EExtended strand (participates in β ladder)trans-65.9126.9170.9-73.2-88.5000111.4P61 K66D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.38Å; D59-K66 IonicContact OD1-NZ 2.84Å; D59-K66 PolarHBondContact OD1-NZ 3.47Å; D59-K66 IonicContact OD2-NZ 3.64Å; D59-K66 PolarHBondContact OD2-NZ 2.93Å
60I85.4Confident87.4Confident28 Ų2854.7 Ų54.714%0.14429%0.293CS..EExtended strand (participates in β ladder)trans-104.996.9174.8-51.9163000109.5S62 F63 K64 T65 A67 W175I60-S62 PolarHBondContact O-N 3.2Å; I60-S62 VanDerWaalsContact O-N 3.08Å; I60-F63 HydrophobicContact CB-CD2 4.4Å; I60-F63 HydrophobicContact CG2-CD2 3.62Å; I60-F63 HydrophobicContact CG2-CE2 4.23Å; I60-F63 PolarHBondContact O-N 3.31Å; I60-K64 PolarHBondContact O-N 3.48Å; I60-T65 PolarHBondContact N-O 2.91Å; I60-A67 HydrophobicContact CD1-CB 3.44Å; I60-A67 VanDerWaalsContact CD1-CB 3.44Å; I60-A67 HydrophobicContact CG1-CB 4.34Å; I60-W175 HydrophobicContact CD1-CH2 4.16Å; I60-W175 HydrophobicContact CD1-CZ2 3.58Å
61P82.1Confident87.6Confident114 Ų11454.4 Ų54.474%0.7429%0.291SS*.THydrogen-bonded Turntrans-62-24.7-174.324.4-34.7000113.4D59 F63D59-P61 VanDerWaalsContact O-CD 3.29Å; D59-P61 WeakPolarHBondContact O-CD 3.38Å; P61-F63 VanDerWaalsContact C-N 3.3Å; P61-F63 PolarHBondContact O-N 3.4Å
62S78.8Confident87.9Confident101 Ų10151.8 Ų51.871%0.70628%0.276SS*.THydrogen-bonded Turntrans-65.2-28.1176.9-48.60000114.2I60I60-S62 PolarHBondContact O-N 3.2Å; I60-S62 VanDerWaalsContact O-N 3.08Å
63F76.8Confident87.9Confident122 Ų12249.3 Ų49.354%0.53526%0.264SS..THydrogen-bonded Turntrans-116-13.7-178.4-58.9-67.5000113.2I60 P61 T65 W175I60-F63 HydrophobicContact CB-CD2 4.4Å; I60-F63 HydrophobicContact CG2-CD2 3.62Å; I60-F63 HydrophobicContact CG2-CE2 4.23Å; I60-F63 PolarHBondContact O-N 3.31Å; P61-F63 VanDerWaalsContact C-N 3.3Å; P61-F63 PolarHBondContact O-N 3.4Å; F63-T65 PolarHBondContact O-N 3.39Å; F63-W175 AromaticContact CD2-NE1 3.8Å; F63-W175 AromaticContact CE2-CD1 3.82Å; F63-W175 AromaticContact CE2-NE1 3.28Å; F63-W175 VanDerWaalsContact CE2-NE1 3.28Å; F63-W175 AromaticContact CZ-CD1 3.89Å; F63-W175 AromaticContact CZ-NE1 3.84Å
64K82.3Confident87.2Confident189 Ų18953.1 Ų53.182%0.82229%0.288SS*.THydrogen-bonded Turntrans59.929.2-171.9-52.7-177.1179.4-177.60113.6I60I60-K64 PolarHBondContact O-N 3.48Å
65T86Confident86.2Confident42 Ų4254.1 Ų54.126%0.25829%0.293SS..EExtended strand (participates in β ladder)trans-115164.4171.763.20000110.3E37 I60 F63E37-T65 WeakPolarHBondContact OE1-CA 3.24Å; E37-T65 WeakPolarHBondContact OE1-CB 3.46Å; I60-T65 PolarHBondContact N-O 2.91Å; F63-T65 PolarHBondContact O-N 3.39Å
66K90.9Very high84.9Confident47 Ų4755.2 Ų55.220%0.20430%0.299CS..EExtended strand (participates in β ladder)trans-98.8140.4165.9-66.4-177.9-172.4-62.40109.5Y36 E37 V57 D59Y36-K66 WeakPolarHBondContact O-CB 3.4Å; Y36-K66 VanDerWaalsContact O-CD 3.32Å; Y36-K66 WeakPolarHBondContact O-CD 3.46Å; E37-K66 WeakPolarHBondContact O-CD 3.5Å; E37-K66 WeakPolarHBondContact O-CE 3.47Å; E37-K66 PolarHBondContact OE1-N 2.91Å; V57-K66 HydrophobicContact CG1-CB 3.82Å; V57-K66 HydrophobicContact CG1-CD 4.04Å; V57-K66 HydrophobicContact CG1-CG 4.37Å; D59-K66 IonicContact OD1-NZ 2.84Å; D59-K66 PolarHBondContact OD1-NZ 3.47Å; D59-K66 IonicContact OD2-NZ 3.64Å; D59-K66 PolarHBondContact OD2-NZ 2.93Å
67A92.3Very high83Confident0 Ų054.4 Ų54.40%031%0.305CS..EExtended strand (participates in β ladder)trans-132.7158.1172.800000111.3V57 V58 I60 C69 W175 D217V57-A67 WeakPolarHBondContact CA-O 3.38Å; V58-A67 PolarHBondContact N-O 2.9Å; V58-A67 PolarHBondContact O-N 3.22Å; I60-A67 HydrophobicContact CD1-CB 3.44Å; I60-A67 VanDerWaalsContact CD1-CB 3.44Å; I60-A67 HydrophobicContact CG1-CB 4.34Å; A67-C69 PolarHBondContact O-N 2.95Å; A67-W175 HydrophobicContact CB-CH2 3.92Å; A67-D217 HydrophobicContact CB-CB 3.91Å
68L94.1Very high81Confident0 Ų060.1 Ų60.10%033%0.333CS..EExtended strand (participates in β ladder)trans-86.3108.3173.8-167.378.4000110.1Y36 L41 W55 V57 L95 L201 C215 V216Y36-L68 HydrophobicContact CD1-CB 4.06Å; Y36-L68 HydrophobicContact CD1-CD1 4.31Å; Y36-L68 HydrophobicContact CD2-CB 4.11Å; Y36-L68 HydrophobicContact CE1-CB 3.69Å; Y36-L68 HydrophobicContact CE1-CD1 4Å; Y36-L68 HydrophobicContact CE1-CD2 4.09Å; Y36-L68 HydrophobicContact CE1-CG 4.15Å; Y36-L68 HydrophobicContact CE2-CB 3.74Å; Y36-L68 HydrophobicContact CG-CB 4.27Å; L41-L68 HydrophobicContact CD2-CD1 3.35Å; W55-L68 HydrophobicContact CB-CD1 4.1Å; W55-L68 HydrophobicContact CB-CD2 3.99Å; W55-L68 HydrophobicContact CB-CG 4.06Å; W55-L68 HydrophobicContact CD2-CD2 3.96Å; W55-L68 HydrophobicContact CD2-CG 4.36Å; W55-L68 HydrophobicContact CE3-CD2 3.73Å; W55-L68 HydrophobicContact CE3-CG 3.79Å; W55-L68 HydrophobicContact CG-CD2 4.14Å; W55-L68 HydrophobicContact CZ3-CD2 4.42Å; V57-L68 HydrophobicContact CG2-CD1 3.82Å; L68-L95 HydrophobicContact CD2-CD2 3.57Å; L68-L201 HydrophobicContact CD2-CD2 4.49Å; L68-C215 CarbonylContact O-C 3.44Å; L68-C215 VanDerWaalsContact O-CA 3.3Å; L68-C215 WeakPolarHBondContact O-CA 3.35Å; L68-V216 PolarHBondContact N-O 3.12Å; L68-V216 PolarHBondContact O-N 2.94Å
69C93.5Very high79.2Confident5 Ų568.5 Ų68.53%0.03436%0.363CS..EExtended strand (participates in β ladder)trans-103.9144.1176.6-65.60000111.5Q56 V58 A67 L71 I214 C215Q56-C69 PolarHBondContact N-O 2.95Å; Q56-C69 PolarHBondContact O-N 3.48Å; V58-C69 HydrophobicContact CB-CB 4.49Å; V58-C69 HydrophobicContact CG2-CB 4.12Å; A67-C69 PolarHBondContact O-N 2.95Å; C69-L71 HydrophobicContact CB-CD1 4.19Å; C69-L71 WeakPolarHBondContact O-CD1 3.44Å; C69-I214 CarbonylContact C-O 3.52Å; C69-I214 WeakPolarHBondContact CA-O 3.28Å; C69-C215 HydrophobicContact CB-CB 4.11Å; C69-C215 WeakPolarHBondContact CB-SG 3.34Å; C69-C215 WeakPolarHBondContact SG-CB 3.41Å; C69-C215 CovalentContact SG-SG 2.05Å; C69-C215 PolarHBondContact SG-SG 2.85Å
70L92.5Very high77.1Confident0 Ų070 Ų700%037%0.366CS..EExtended strand (participates in β ladder)trans-84.8129.8169.6-177.768.3000109.4A53 W55 A93 I205 I214A53-L70 HydrophobicContact CB-CD1 4.16Å; W55-L70 HydrophobicContact CD2-CB 4.32Å; W55-L70 HydrophobicContact CD2-CD1 4.15Å; W55-L70 HydrophobicContact CE3-CB 3.9Å; W55-L70 HydrophobicContact CG-CD1 4.45Å; W55-L70 HydrophobicContact CH2-CB 4.18Å; W55-L70 HydrophobicContact CZ3-CB 3.83Å; L70-A93 HydrophobicContact CD1-CB 3.54Å; L70-I205 HydrophobicContact CD2-CD1 4.15Å; L70-I205 HydrophobicContact CD2-CG1 3.77Å; L70-I205 HydrophobicContact CG-CD1 3.96Å; L70-I205 HydrophobicContact CG-CG1 4.15Å; L70-I214 HydrophobicContact CB-CB 4.27Å; L70-I214 HydrophobicContact CD2-CD1 4.13Å; L70-I214 PolarHBondContact N-O 2.93Å
71L88Confident75.2Confident23 Ų2375 Ų7512%0.1239%0.393CS..EExtended strand (participates in β ladder)trans-132.2154.2174.7-60.798.2000110.6A53 L54 Q56 V58 C69A53-L71 CarbonylContact C-O 3.5Å; A53-L71 VanDerWaalsContact CA-O 3.29Å; A53-L71 WeakPolarHBondContact CA-O 3.49Å; A53-L71 WeakPolarHBondContact CB-O 3.41Å; L54-L71 PolarHBondContact N-O 2.81Å; L54-L71 PolarHBondContact O-N 3.29Å; Q56-L71 HydrophobicContact CB-CD1 3.74Å; V58-L71 HydrophobicContact CG2-CD1 4.28Å; C69-L71 HydrophobicContact CB-CD1 4.19Å; C69-L71 WeakPolarHBondContact O-CD1 3.44Å
72P84.8Confident73.6Confident35 Ų3572.5 Ų72.523%0.22738%0.376CS..EExtended strand (participates in β ladder)trans-56.1142.1160-18.631.8000109.9P74 F87 I91 I205 P210P72-P74 WeakPolarHBondContact O-CD 3.49Å; P72-F87 HydrophobicContact CB-CE2 3.9Å; P72-F87 HydrophobicContact CB-CZ 4Å; P72-F87 HydrophobicContact CG-CE2 4.15Å; P72-I91 HydrophobicContact CB-CD1 4.14Å; P72-I91 HydrophobicContact CG-CD1 4.35Å; P72-I205 HydrophobicContact CG-CD1 4.09Å; P72-P210 HydrophobicContact CG-CB 4.22Å; P72-P210 WeakPolarHBondContact CG-O 3.19Å
73N83.2Confident72.2Confident25 Ų2573 Ų7313%0.13438%0.379CS..  trans-67.9119.6-178.5177.93.1000110.3V51 L52 L54 D75 L76V51-N73 WeakPolarHBondContact O-CB 3.49Å; V51-N73 PolarHBondContact O-ND2 3.33Å; L52-N73 PolarHBondContact O-N 2.84Å; L54-N73 HydrophobicContact CD2-CB 4.3Å; N73-D75 PolarHBondContact O-N 2.9Å; N73-D75 WeakPolarHBondContact OD1-CB 3.41Å; N73-D75 PolarHBondContact OD1-N 2.83Å; N73-L76 HydrophobicContact CB-CD1 4.31Å; N73-L76 WeakPolarHBondContact O-CB 3.49Å; N73-L76 PolarHBondContact O-N 3.32Å
74P72.6Confident70.9Confident81 Ų8173.8 Ų73.853%0.52639%0.389SS..G310 helixtrans-65-24-178.927.5-35.7000113.3P72 L76 S77P72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-L76 PolarHBondContact O-N 2.98Å; P74-S77 WeakPolarHBondContact O-CB 3.43Å; P74-S77 PolarHBondContact O-N 3.42Å; P74-S77 VanDerWaalsContact O-N 3.13Å; P74-S77 PolarHBondContact O-OG 2.82Å
75D69.4Low69.5Low61 Ų6166.5 Ų66.533%0.32636%0.359SS..G310 helixtrans-68.2-13.4179.4-66.1-3.3000112.6N73 S77 L78 R891N73-D75 PolarHBondContact O-N 2.9Å; N73-D75 WeakPolarHBondContact OD1-CB 3.41Å; N73-D75 PolarHBondContact OD1-N 2.83Å; D75-S77 PolarHBondContact O-N 3.19Å; D75-S77 VanDerWaalsContact O-N 3.16Å; D75-L78 PolarHBondContact O-N 2.86Å; D75-L78 VanDerWaalsContact O-N 3.13Å; D75-R891 IonicContact OD1-NH2 3.34Å; D75-R891 PolarHBondContact OD1-NH2 3.36Å; D75-R891 IonicContact OD2-CZ 3.73Å; D75-R891 IonicContact OD2-NH1 3.55Å; D75-R891 PolarHBondContact OD2-NH1 2.85Å; D75-R891 IonicContact OD2-NH2 2.87Å; D75-R891 PolarHBondContact OD2-NH2 2.93Å
76L64Low68.1Low24 Ų2471.5 Ų71.513%0.12638%0.377CS..G310 helixtrans-61.3-18.3170.3-107.567.6000113.2V51 L52 N73 P74 L78 Y79 L85 F87V51-L76 HydrophobicContact CG1-CD1 4.48Å; L52-L76 HydrophobicContact CD2-CD1 4.31Å; L52-L76 HydrophobicContact CD2-CD2 3.92Å; N73-L76 HydrophobicContact CB-CD1 4.31Å; N73-L76 WeakPolarHBondContact O-CB 3.49Å; N73-L76 PolarHBondContact O-N 3.32Å; P74-L76 PolarHBondContact O-N 2.98Å; L76-L78 PolarHBondContact O-N 2.89Å; L76-L78 VanDerWaalsContact O-N 3.09Å; L76-Y79 PolarHBondContact O-N 2.94Å; L76-L85 HydrophobicContact CD2-CD2 4.47Å; L76-F87 HydrophobicContact CD2-CE1 3.88Å; L76-F87 HydrophobicContact CD2-CZ 4.26Å
77S52.3Low66.9Low80 Ų8070.7 Ų70.756%0.55937%0.374SS*.G310 helixtrans-57.7-16.1171.158.30000114.4P74 D75P74-S77 WeakPolarHBondContact O-CB 3.43Å; P74-S77 PolarHBondContact O-N 3.42Å; P74-S77 VanDerWaalsContact O-N 3.13Å; P74-S77 PolarHBondContact O-OG 2.82Å; D75-S77 PolarHBondContact O-N 3.19Å; D75-S77 VanDerWaalsContact O-N 3.16Å
78L51.8Low65.8Low151 Ų15179.7 Ų79.779%0.79142%0.415SS*.G310 helixtrans-87.1-6.8173.3-75.4160.6000114.4D75 L76D75-L78 PolarHBondContact O-N 2.86Å; D75-L78 VanDerWaalsContact O-N 3.13Å; L76-L78 PolarHBondContact O-N 2.89Å; L76-L78 VanDerWaalsContact O-N 3.09Å
79Y53.4Low65Low211 Ų21183.5 Ų83.583%0.82744%0.439SS*.THydrogen-bonded Turntrans-121.2-11.9-170.1-115.6-89.6000115.9L76L76-Y79 PolarHBondContact O-N 2.94Å
80Q45.2Very low64.6Low131 Ų13188.1 Ų88.161%0.61246%0.463SS*.SBendtrans-152.6171.6178.9-105.2159.68.300111.3V82 L85Q80-V82 HydrophobicContact CB-CG2 4.25Å; Q80-V82 WeakPolarHBondContact O-CG2 3.41Å; Q80-V82 PolarHBondContact O-N 3.36Å; Q80-V82 VanDerWaalsContact O-N 3.14Å; Q80-L85 HydrophobicContact CB-CD1 4.04Å
81D44.4Very low64.4Low133 Ų13388.2 Ų88.271%0.71146%0.464SS*.  trans-83.382.7174.4-162.8-18.7000109.6S83D81-S83 PolarHBondContact O-N 2.86Å
82V50.4Low64.5Low62 Ų6289.2 Ų89.238%0.37647%0.473SS..G310 helixtrans-73.63.5-161-177.90000114.4Q80 D84 L85Q80-V82 HydrophobicContact CB-CG2 4.25Å; Q80-V82 WeakPolarHBondContact O-CG2 3.41Å; Q80-V82 PolarHBondContact O-N 3.36Å; Q80-V82 VanDerWaalsContact O-N 3.14Å; V82-D84 VanDerWaalsContact C-N 3.27Å; V82-D84 PolarHBondContact O-N 3.38Å; V82-L85 HydrophobicContact CB-CB 4.44Å; V82-L85 HydrophobicContact CG1-CB 3.95Å; V82-L85 HydrophobicContact CG1-CD2 4.14Å; V82-L85 HydrophobicContact CG2-CD1 4.5Å; V82-L85 HydrophobicContact CG2-CD2 4.11Å
83S47.7Very low64.9Low110 Ų11087.7 Ų87.777%0.76946%0.463SS*.G310 helixtrans-63.7-29.9175.3-53.80000113.5D81D81-S83 PolarHBondContact O-N 2.86Å
84D49.6Very low65.4Low140 Ų14088.7 Ų88.775%0.74947%0.465SS*.G310 helixtrans-114.417.3-176.1-103.5-45.2000113.3V82 K86V82-D84 VanDerWaalsContact C-N 3.27Å; V82-D84 PolarHBondContact O-N 3.38Å; D84-K86 PolarHBondContact O-N 3.04Å
85L53.8Low66.4Low36 Ų3684.9 Ų84.919%0.18844%0.44CS..  trans-75.762.9-168.3-135.180000115.2L76 Q80 V82 F87L76-L85 HydrophobicContact CD2-CD2 4.47Å; Q80-L85 HydrophobicContact CB-CD1 4.04Å; V82-L85 HydrophobicContact CB-CB 4.44Å; V82-L85 HydrophobicContact CG1-CB 3.95Å; V82-L85 HydrophobicContact CG1-CD2 4.14Å; V82-L85 HydrophobicContact CG2-CD1 4.5Å; V82-L85 HydrophobicContact CG2-CD2 4.11Å; L85-F87 HydrophobicContact CD2-CD1 4.46Å; L85-F87 HydrophobicContact CD2-CE1 3.81Å; L85-F87 HydrophobicContact CD2-CZ 3.85Å; L85-F87 PolarHBondContact O-N 3.29Å
86K57.3Low67.5Low147 Ų14782.5 Ų82.564%0.63943%0.427SS*.  trans-66.796.4155.9-70.3169.7-174.5154.40108D84 E88D84-K86 PolarHBondContact O-N 3.04Å; K86-E88 PolarHBondContact O-N 2.74Å
87F64.5Low68.9Low30 Ų3081.5 Ų81.513%0.13242%0.422CS..  trans-50.4115.1170.6-61.2-85.6000109.8P72 L76 L85 T89 I91 A207 G208 P210P72-F87 HydrophobicContact CB-CE2 3.9Å; P72-F87 HydrophobicContact CB-CZ 4Å; P72-F87 HydrophobicContact CG-CE2 4.15Å; L76-F87 HydrophobicContact CD2-CE1 3.88Å; L76-F87 HydrophobicContact CD2-CZ 4.26Å; L85-F87 HydrophobicContact CD2-CD1 4.46Å; L85-F87 HydrophobicContact CD2-CE1 3.81Å; L85-F87 HydrophobicContact CD2-CZ 3.85Å; L85-F87 PolarHBondContact O-N 3.29Å; F87-T89 WeakPolarHBondContact CB-O 3.48Å; F87-T89 PolarHBondContact O-N 3.46Å; F87-I91 HydrophobicContact CB-CG2 4.46Å; F87-I91 HydrophobicContact CD1-CD1 4.26Å; F87-I91 HydrophobicContact CD1-CG2 3.81Å; F87-I91 HydrophobicContact CD2-CD1 4.01Å; F87-I91 HydrophobicContact CE1-CD1 4.09Å; F87-I91 HydrophobicContact CE1-CG2 4.27Å; F87-I91 HydrophobicContact CE2-CD1 3.85Å; F87-I91 HydrophobicContact CG-CD1 4.22Å; F87-I91 HydrophobicContact CG-CG2 4.19Å; F87-I91 HydrophobicContact CZ-CD1 3.88Å; F87-A207 CarbonylContact O-C 3.51Å; F87-A207 WeakPolarHBondContact O-CA 3.47Å; F87-A207 WeakPolarHBondContact O-CB 3.4Å; F87-G208 PolarHBondContact O-N 2.85Å; F87-P210 HydrophobicContact CD2-CB 4.19Å; F87-P210 HydrophobicContact CE2-CB 4.15Å
88E69.3Low70.6Confident188 Ų18878.6 Ų78.688%0.87941%0.405SS*.SBendtrans-73.3-17.5176.2-61.7-168.5141.600111.9K86 A207K86-E88 PolarHBondContact O-N 2.74Å; E88-A207 WeakPolarHBondContact O-CB 3.42Å
89T78.3Confident72.2Confident80 Ų8073.9 Ų73.949%0.49138%0.378SS..SBendtrans-107.5158.7175.553.30000111.2F87F87-T89 WeakPolarHBondContact CB-O 3.48Å; F87-T89 PolarHBondContact O-N 3.46Å
90N85Confident73.8Confident102 Ų10264.1 Ų64.155%0.54534%0.341SS..  trans-72.7141.5167.3-59-27.8000109.1T204 I205 P206 A207N90-T204 HydrophobicContact CB-CG2 3.92Å; N90-I205 WeakPolarHBondContact CA-O 3.32Å; N90-P206 WeakPolarHBondContact OD1-CA 3.38Å; N90-A207 PolarHBondContact OD1-N 3.07Å
91I87Confident75.6Confident3 Ų364.9 Ų64.92%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-117.7143.3175.166.5-178.6000109.4L52 A53 P72 F87 T204 I205L52-I91 HydrophobicContact CB-CB 4.01Å; L52-I91 HydrophobicContact CB-CG2 3.92Å; L52-I91 HydrophobicContact CD1-CG2 3.84Å; A53-I91 HydrophobicContact CB-CB 4.49Å; A53-I91 HydrophobicContact CB-CD1 4.09Å; A53-I91 HydrophobicContact CB-CG1 4.1Å; P72-I91 HydrophobicContact CB-CD1 4.14Å; P72-I91 HydrophobicContact CG-CD1 4.35Å; F87-I91 HydrophobicContact CB-CG2 4.46Å; F87-I91 HydrophobicContact CD1-CD1 4.26Å; F87-I91 HydrophobicContact CD1-CG2 3.81Å; F87-I91 HydrophobicContact CD2-CD1 4.01Å; F87-I91 HydrophobicContact CE1-CD1 4.09Å; F87-I91 HydrophobicContact CE1-CG2 4.27Å; F87-I91 HydrophobicContact CE2-CD1 3.85Å; F87-I91 HydrophobicContact CG-CD1 4.22Å; F87-I91 HydrophobicContact CG-CG2 4.19Å; F87-I91 HydrophobicContact CZ-CD1 3.88Å; I91-T204 CarbonylContact O-C 3.51Å; I91-T204 WeakPolarHBondContact O-CA 3.45Å; I91-I205 HydrophobicContact CD1-CB 4.31Å; I91-I205 HydrophobicContact CD1-CD1 4.3Å; I91-I205 HydrophobicContact CD1-CG2 4.24Å; I91-I205 HydrophobicContact CG1-CB 3.69Å; I91-I205 HydrophobicContact CG1-CD1 4.39Å; I91-I205 HydrophobicContact CG1-CG2 3.97Å; I91-I205 PolarHBondContact N-O 3.13Å; I91-I205 PolarHBondContact O-N 3.4Å
92S90.2Very high77Confident44 Ų4459.6 Ų59.631%0.30831%0.31SS..EExtended strand (participates in β ladder)trans-135.1156.9-177.153.30000112.3G203S92-G203 CarbonylContact C-O 3.51Å; S92-G203 WeakPolarHBondContact CA-O 3.03Å; S92-G203 VanDerWaalsContact CB-O 3.29Å; S92-G203 WeakPolarHBondContact CB-O 3.33Å
93A93Very high77.8Confident3 Ų363.4 Ų63.43%0.02532%0.322CS..EExtended strand (participates in β ladder)trans-140.7141.8171.300000111.3D50 A53 W55 L70 G203D50-A93 HydrophobicContact CB-CB 4.33Å; D50-A93 WeakPolarHBondContact OD2-CA 3.48Å; A53-A93 HydrophobicContact CB-CB 4.13Å; A53-A93 VanDerWaalsContact O-CB 3.28Å; A53-A93 WeakPolarHBondContact O-CB 3.41Å; W55-A93 PolarHBondContact NE1-O 2.97Å; L70-A93 HydrophobicContact CD1-CB 3.54Å; A93-G203 PolarHBondContact N-O 3.01Å; A93-G203 PolarHBondContact O-N 2.77Å
94R94.1Very high78.4Confident46 Ų4663.9 Ų63.917%0.17431%0.31CS..EExtended strand (participates in β ladder)trans-112.1142.8-179.4-66166.8-70.3176.5-1.3111.4D47 D50 I200 L201 E202D47-R94 HydrophobicContact CB-CB 3.88Å; D47-R94 PolarHBondContact N-O 3.12Å; D47-R94 IonicContact OD1-NH2 3.4Å; D47-R94 IonicContact OD2-CZ 3.66Å; D47-R94 IonicContact OD2-NE 2.68Å; D47-R94 IonicContact OD2-NH1 3.41Å; D47-R94 IonicContact OD2-NH2 2.71Å; D50-R94 IonicContact OD1-CZ 3.98Å; D50-R94 IonicContact OD1-NE 3.71Å; D50-R94 PolarHBondContact OD1-NE 2.97Å; D50-R94 IonicContact OD1-NH2 2.83Å; D50-R94 PolarHBondContact OD1-NH2 3.14Å; D50-R94 VanDerWaalsContact OD2-CB 3.3Å; D50-R94 WeakPolarHBondContact OD2-CB 3.24Å; D50-R94 WeakPolarHBondContact OD2-CG 3.37Å; D50-R94 IonicContact OD2-CZ 2.99Å; D50-R94 PolarHBondContact OD2-N 3.42Å; D50-R94 IonicContact OD2-NE 3.36Å; D50-R94 PolarHBondContact OD2-NE 2.92Å; D50-R94 IonicContact OD2-NH2 3.47Å; R94-I200 HydrophobicContact CB-CG2 3.91Å; R94-I200 HydrophobicContact CG-CG2 4.08Å; R94-L201 CarbonylContact C-O 3.53Å; R94-L201 WeakPolarHBondContact CA-O 3.25Å; R94-E202 HydrophobicContact CG-CB 4.16Å; R94-E202 HydrophobicContact CG-CG 4.11Å
95L94Very high78.5Confident0 Ų066.1 Ų66.10%032%0.316CS..EExtended strand (participates in β ladder)trans-125.9124.6173.7-172.686.6000108.4L41 W44 M46 W55 L68 I200 L201L41-L95 HydrophobicContact CD1-CD1 4.19Å; W44-L95 HydrophobicContact CB-CD1 4.13Å; W44-L95 HydrophobicContact CB-CD2 3.66Å; W44-L95 HydrophobicContact CB-CG 3.81Å; W44-L95 HydrophobicContact CD2-CD2 3.88Å; W44-L95 HydrophobicContact CD2-CG 4.45Å; W44-L95 HydrophobicContact CE3-CD2 3.6Å; W44-L95 HydrophobicContact CE3-CG 3.9Å; W44-L95 HydrophobicContact CG-CD2 3.96Å; W44-L95 HydrophobicContact CG-CG 4.48Å; W44-L95 HydrophobicContact CZ3-CD2 4.47Å; M46-L95 HydrophobicContact CG-CD1 4.05Å; W55-L95 HydrophobicContact CG-CB 4.46Å; L68-L95 HydrophobicContact CD2-CD2 3.57Å; L95-I200 CarbonylContact O-C 3.54Å; L95-I200 WeakPolarHBondContact O-CA 3.3Å; L95-L201 HydrophobicContact CB-CB 4.31Å; L95-L201 HydrophobicContact CD2-CD2 4.34Å; L95-L201 PolarHBondContact N-O 2.74Å; L95-L201 PolarHBondContact O-N 2.78Å
96W92.3Very high78.7Confident11 Ų1168.1 Ų68.14%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-99.7134.6-176.8-66.279.8000110.5W44 N45 D47 H135 K198 L199 I200 P817W44-W96 CarbonylContact C-O 3.6Å; W44-W96 WeakPolarHBondContact CA-O 3.39Å; W44-W96 VanDerWaalsContact CE3-C 3.49Å; N45-W96 PolarHBondContact N-O 2.93Å; N45-W96 PolarHBondContact O-N 3.42Å; D47-W96 PolarHBondContact OD2-NE1 3.04Å; W96-H135 HydrophobicContact CZ3-CB 3.93Å; W96-H135 AromaticContact CZ3-CG 3.84Å; W96-K198 HydrophobicContact CE3-CB 4.26Å; W96-K198 HydrophobicContact CE3-CD 4.38Å; W96-L199 CarbonylContact C-O 3.55Å; W96-L199 WeakPolarHBondContact CA-O 3.24Å; W96-I200 HydrophobicContact CD2-CD1 4.37Å; W96-I200 HydrophobicContact CD2-CG1 3.99Å; W96-I200 HydrophobicContact CE3-CD1 4.05Å; W96-I200 HydrophobicContact CE3-CG1 3.7Å; W96-I200 HydrophobicContact CH2-CD1 3.44Å; W96-I200 VanDerWaalsContact CH2-CD1 3.44Å; W96-I200 HydrophobicContact CH2-CG1 4.06Å; W96-I200 HydrophobicContact CZ2-CD1 3.78Å; W96-I200 HydrophobicContact CZ2-CG1 4.31Å; W96-I200 HydrophobicContact CZ3-CD1 3.59Å; W96-I200 HydrophobicContact CZ3-CG1 3.75Å; W96-P817 HydrophobicContact CH2-CG 4Å; W96-P817 HydrophobicContact CZ3-CG 3.96Å
97S92.8Very high78.8Confident4 Ų467.5 Ų67.53%0.02832%0.324CS..PPolyproline II helixtrans-75.6167.7175.677.20000112.5L32 W44 L199L32-S97 WeakPolarHBondContact CD2-OG 3.47Å; W44-S97 VanDerWaalsContact CE3-CA 3.48Å; W44-S97 VanDerWaalsContact CE3-N 3.33Å; S97-L199 PolarHBondContact N-O 3.29Å; S97-L199 PolarHBondContact OG-N 3.17Å
98G88.1Confident78.6Confident19 Ų1972.6 Ų72.620%0.19635%0.352CS..PPolyproline II helixtrans-59162.7159.200000111.7P31 V100P31-G98 PolarHBondContact O-N 2.73Å; G98-V100 PolarHBondContact O-N 3.38Å
99H86.4Confident78.5Confident51 Ų5169.7 Ų69.724%0.23634%0.339CS..PPolyproline II helixtrans-76.1119.8-175.1-170.3-116.3000112.2R101 D137 D196H99-R101 WeakPolarHBondContact ND1-CG 3.15Å; H99-R101 PolarHBondContact ND1-NE 2.88Å; H99-R101 PolarHBondContact O-N 2.99Å; H99-D137 IonicContact CD2-OD1 3.47Å; H99-D137 IonicContact CD2-OD2 2.79Å; H99-D137 IonicContact CE1-OD2 3.53Å; H99-D137 IonicContact NE2-OD1 3.21Å; H99-D137 PolarHBondContact NE2-OD1 3.49Å; H99-D137 IonicContact NE2-OD2 3.51Å; H99-D137 PolarHBondContact NE2-OD2 3.46Å; H99-D196 WeakPolarHBondContact CE1-CB 3.4Å; H99-D196 IonicContact CE1-OD2 3.52Å; H99-D196 PolarHBondContact CE1-OD2 3.47Å; H99-D196 WeakPolarHBondContact NE2-CB 3.42Å
100V86.6Confident78.4Confident7 Ų767.3 Ų67.34%0.04232%0.322CS..BIsolated β-bridgetrans-88.6104.9178.4-171.50000109.4P31 L32 G98 I111 D196 Y197P31-V100 HydrophobicContact CG-CG2 4.04Å; L32-V100 HydrophobicContact CD1-CG2 4.16Å; L32-V100 HydrophobicContact CD2-CG2 3.63Å; L32-V100 HydrophobicContact CG-CG2 3.98Å; G98-V100 PolarHBondContact O-N 3.38Å; V100-I111 HydrophobicContact CG1-CD1 4.06Å; V100-D196 VanDerWaalsContact O-CA 3.28Å; V100-D196 WeakPolarHBondContact O-CA 3.34Å; V100-D196 WeakPolarHBondContact O-CB 3.24Å; V100-Y197 HydrophobicContact CB-CD1 4.28Å; V100-Y197 HydrophobicContact CB-CD2 4.01Å; V100-Y197 HydrophobicContact CB-CE1 4.07Å; V100-Y197 HydrophobicContact CB-CE2 3.78Å; V100-Y197 HydrophobicContact CB-CG 4.26Å; V100-Y197 WeakPolarHBondContact CB-O 3.48Å; V100-Y197 HydrophobicContact CG1-CE1 3.87Å; V100-Y197 HydrophobicContact CG1-CE2 4.07Å; V100-Y197 HydrophobicContact CG2-CD2 4.03Å; V100-Y197 HydrophobicContact CG2-CE2 3.67Å; V100-Y197 PolarHBondContact N-O 2.91Å; V100-Y197 PolarHBondContact O-N 2.82Å; V100-Y197 VanDerWaalsContact O-N 3.14Å
101R82.2Confident78.4Confident147 Ų14763.4 Ų63.456%0.55530%0.301SS*.  trans-88.5111.9-178.4-63.2178.1-177.5161.3-0.7111.6H99 K103 D196 E813H99-R101 WeakPolarHBondContact ND1-CG 3.15Å; H99-R101 PolarHBondContact ND1-NE 2.88Å; H99-R101 PolarHBondContact O-N 2.99Å; R101-K103 PolarHBondContact O-N 3.03Å; R101-D196 WeakPolarHBondContact CA-OD1 3.19Å; R101-E813 IonicContact NH2-OE1 2.76Å; R101-E813 PolarHBondContact NH2-OE1 3.2Å
102V75Confident78.3Confident21 Ų2166.6 Ų66.613%0.12731%0.313CS..  trans-91.484.8-172.1-163.10000110.9K104 E110 L194 S195 D196 Y197V102-K104 PolarHBondContact O-N 2.9Å; V102-K104 VanDerWaalsContact O-N 3.14Å; V102-E110 HydrophobicContact CG1-CG 4.36Å; V102-L194 HydrophobicContact CB-CD2 4.4Å; V102-L194 HydrophobicContact CB-CG 4.29Å; V102-L194 HydrophobicContact CG1-CD1 4.23Å; V102-L194 HydrophobicContact CG1-CD2 3.55Å; V102-L194 HydrophobicContact CG1-CG 3.68Å; V102-S195 WeakPolarHBondContact CG2-O 3.37Å; V102-D196 PolarHBondContact N-OD1 3.35Å; V102-Y197 HydrophobicContact CG2-CD1 3.9Å; V102-Y197 HydrophobicContact CG2-CE1 3.68Å
103K67Low78.3Confident142 Ų14264.5 Ų64.562%0.61730%0.298SS*.  trans-70.5105.2-176.7-68.7-174178.6-177.90112.5R101 Q105 L106R101-K103 PolarHBondContact O-N 3.03Å; K103-Q105 PolarHBondContact O-N 3.47Å; K103-L106 PolarHBondContact O-N 3.31Å
104K60.2Low78.3Confident121 Ų12164.4 Ų64.453%0.52630%0.297SS..THydrogen-bonded Turntrans-49.7-22.3178.7-59.2-162.9179.4-159.10116.7V102 E191 L194V102-K104 PolarHBondContact O-N 2.9Å; V102-K104 VanDerWaalsContact O-N 3.14Å; K104-E191 PolarHBondContact NZ-O 3.5Å; K104-L194 HydrophobicContact CG-CD2 4.38Å
105Q50.9Low78.2Confident187 Ų18763.4 Ų63.487%0.87429%0.294SS*.THydrogen-bonded Turntrans-98-8.2-176.9-71.9-175.2-22.300115K103K103-Q105 PolarHBondContact O-N 3.47Å
106L59Low78.2Confident78 Ų7863.5 Ų63.541%0.40830%0.295SS..  trans-128.677.4179.9-70.293000110.8K103 D108 H109K103-L106 PolarHBondContact O-N 3.31Å; L106-D108 PolarHBondContact O-N 3.44Å; L106-H109 HydrophobicContact CB-CB 4.32Å; L106-H109 PolarHBondContact O-N 3.35Å; L106-H109 VanDerWaalsContact O-N 3.11Å
107K59.2Low78.2Confident134 Ų13463.9 Ų63.958%0.58330%0.299SS*.G310 helixtrans-58.2-30.6177.3-70.9-179.8176.11760112.5H109 E110K107-H109 PolarHBondContact O-N 3.31Å; K107-E110 WeakPolarHBondContact O-CB 3.43Å; K107-E110 PolarHBondContact O-N 2.99Å
108D60.6Low78.2Confident136 Ų13663.9 Ų63.973%0.72730%0.298SS*.G310 helixtrans-76.2-1.8-179.5-48.4-35.1000113.7L106L106-D108 PolarHBondContact O-N 3.44Å
109H66.5Low78.2Confident128 Ų12865 Ų6559%0.59330%0.298SS*.G310 helixtrans-121.78.9175.8-62.3-7.5000112.5L106 K107L106-H109 HydrophobicContact CB-CB 4.32Å; L106-H109 PolarHBondContact O-N 3.35Å; L106-H109 VanDerWaalsContact O-N 3.11Å; K107-H109 PolarHBondContact O-N 3.31Å
110E76.4Confident78.2Confident29 Ų2963.2 Ų63.214%0.13629%0.29CS..SBendtrans-74.4128.2170.8-179.6175.5-122.400109.8V102 K107 R112 I186 T223V102-E110 HydrophobicContact CG1-CG 4.36Å; K107-E110 WeakPolarHBondContact O-CB 3.43Å; K107-E110 PolarHBondContact O-N 2.99Å; E110-R112 HydrophobicContact CG-CG 4.34Å; E110-R112 PolarHBondContact O-N 3.24Å; E110-R112 IonicContact OE2-CZ 3.37Å; E110-R112 IonicContact OE2-NE 3.03Å; E110-R112 PolarHBondContact OE2-NE 3.02Å; E110-R112 IonicContact OE2-NH2 2.81Å; E110-R112 PolarHBondContact OE2-NH2 3.4Å; E110-I186 VanDerWaalsContact OE1-CD1 3.29Å; E110-I186 WeakPolarHBondContact OE1-CD1 2.98Å; E110-T223 VanDerWaalsContact O-CA 3.31Å; E110-T223 WeakPolarHBondContact O-CA 3.45Å
111I84.3Confident78Confident20 Ų2064.3 Ų64.310%0.10330%0.296CS..  trans-77.2118.7177.1-51.5177.9000108.9N30 L32 V100 L182N30-I111 WeakPolarHBondContact OD1-CD1 3.42Å; L32-I111 HydrophobicContact CD1-CD1 4.02Å; L32-I111 HydrophobicContact CD1-CG2 4.26Å; L32-I111 HydrophobicContact CG-CD1 4.36Å; V100-I111 HydrophobicContact CG1-CD1 4.06Å; I111-L182 HydrophobicContact CB-CD1 4.49Å; I111-L182 HydrophobicContact CG2-CD1 3.88Å
112R85.6Confident77.5Confident70 Ų7059.4 Ų59.426%0.26429%0.285SS..  trans-112.1-29.9-173.5-66.9-169.7170.3-178.7-4.1114.4E110 L182 D183 Y222 T223E110-R112 HydrophobicContact CG-CG 4.34Å; E110-R112 PolarHBondContact O-N 3.24Å; E110-R112 IonicContact OE2-CZ 3.37Å; E110-R112 IonicContact OE2-NE 3.03Å; E110-R112 PolarHBondContact OE2-NE 3.02Å; E110-R112 IonicContact OE2-NH2 2.81Å; E110-R112 PolarHBondContact OE2-NH2 3.4Å; R112-L182 PolarHBondContact O-N 3.48Å; R112-D183 HydrophobicContact CG-CB 4.41Å; R112-Y222 PolarHBondContact N-O 2.89Å; R112-T223 WeakPolarHBondContact CD-O 3.49Å
113C90Very high77.5Confident0 Ų067.3 Ų67.30%032%0.318CS..EExtended strand (participates in β ladder)trans-123.3137.5173.5-167.50000111.4I180 S221 Y222 E224 C226 L229C113-I180 WeakPolarHBondContact CA-O 3.31Å; C113-S221 CarbonylContact O-C 3.56Å; C113-S221 VanDerWaalsContact O-CA 3.27Å; C113-S221 WeakPolarHBondContact O-CA 3.35Å; C113-S221 WeakPolarHBondContact O-CB 3.37Å; C113-Y222 PolarHBondContact N-O 2.86Å; C113-Y222 VanDerWaalsContact N-O 3.1Å; C113-Y222 PolarHBondContact O-N 2.81Å; C113-E224 VanDerWaalsContact CB-O 3.3Å; C113-E224 WeakPolarHBondContact CB-O 3.46Å; C113-E224 PolarHBondContact N-O 2.96Å; C113-C226 VanDerWaalsContact CA-SG 3.56Å; C113-C226 HydrophobicContact CB-CB 4.03Å; C113-C226 WeakPolarHBondContact CB-SG 3.45Å; C113-C226 WeakPolarHBondContact SG-CA 3.39Å; C113-C226 WeakPolarHBondContact SG-CB 3.46Å; C113-C226 CovalentContact SG-SG 2.03Å; C113-C226 PolarHBondContact SG-SG 3.44Å; C113-L229 HydrophobicContact CB-CD1 3.83Å
114L92.9Very high77.9Confident2 Ų260.9 Ų60.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-110.5126.5163.9-178.971.5000108.9L32 I132 F179 I180 L182 L199 I219L32-L114 HydrophobicContact CB-CD1 4.25Å; L32-L114 HydrophobicContact CD1-CD1 4.23Å; L114-I132 HydrophobicContact CD2-CD1 4.47Å; L114-F179 CarbonylContact O-C 3.44Å; L114-F179 WeakPolarHBondContact O-CA 3.45Å; L114-I180 HydrophobicContact CB-CB 4.39Å; L114-I180 PolarHBondContact N-O 2.72Å; L114-I180 PolarHBondContact O-N 3.45Å; L114-L182 HydrophobicContact CB-CD1 4.21Å; L114-L182 HydrophobicContact CB-CG 4.5Å; L114-L199 HydrophobicContact CD2-CD1 3.71Å; L114-I219 HydrophobicContact CD1-CG2 3.7Å
115Q93Very high78.3Confident25 Ų2555.7 Ų55.712%0.11727%0.27CS..EExtended strand (participates in β ladder)trans-108.4145.9168.2-172.2-166-95.800109.2I177 V178 F179 I219 T220 Y222Q115-I177 HydrophobicContact CG-CG2 3.74Å; Q115-V178 VanDerWaalsContact CA-O 3.25Å; Q115-V178 WeakPolarHBondContact CA-O 3.25Å; Q115-F179 HydrophobicContact CB-CD1 4.11Å; Q115-F179 HydrophobicContact CB-CE1 4.16Å; Q115-F179 HydrophobicContact CG-CD1 4.01Å; Q115-F179 HydrophobicContact CG-CE1 3.71Å; Q115-F179 HydrophobicContact CG-CZ 4.17Å; Q115-I219 WeakPolarHBondContact O-CA 3.08Å; Q115-T220 WeakPolarHBondContact CA-O 3.01Å; Q115-T220 PolarHBondContact N-O 2.7Å; Q115-T220 PolarHBondContact NE2-OG1 2.96Å; Q115-T220 PolarHBondContact O-N 2.74Å; Q115-Y222 HydrophobicContact CB-CE2 3.82Å
116F93.6Very high79.3Confident1 Ų153.5 Ų53.50%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-152.6162.6163.262.4-78.6000109.4Y118 L130 I132 W159 V178 I180 V216 I219F116-Y118 HydrophobicContact CE2-CD1 4.08Å; F116-Y118 HydrophobicContact CE2-CG 4.24Å; F116-L130 HydrophobicContact CE2-CD2 4.11Å; F116-I132 HydrophobicContact CD1-CD1 3.95Å; F116-I132 HydrophobicContact CE1-CD1 3.35Å; F116-I132 HydrophobicContact CE2-CD1 4.32Å; F116-I132 HydrophobicContact CZ-CD1 3.56Å; F116-W159 HydrophobicContact CE2-CH2 4.42Å; F116-W159 HydrophobicContact CE2-CZ3 4.27Å; F116-W159 HydrophobicContact CZ-CD2 4.28Å; F116-W159 AromaticContact CZ-CE3 3.89Å; F116-W159 HydrophobicContact CZ-CE3 3.89Å; F116-W159 HydrophobicContact CZ-CH2 4.1Å; F116-W159 AromaticContact CZ-CZ3 3.79Å; F116-W159 HydrophobicContact CZ-CZ3 3.79Å; F116-V178 HydrophobicContact CD1-CB 4.1Å; F116-V178 HydrophobicContact CD1-CG1 4.44Å; F116-V178 HydrophobicContact CE1-CB 3.53Å; F116-V178 HydrophobicContact CE1-CG1 3.54Å; F116-V178 HydrophobicContact CE1-CG2 4.26Å; F116-V178 HydrophobicContact CE2-CB 4.11Å; F116-V178 HydrophobicContact CE2-CG2 4.01Å; F116-V178 HydrophobicContact CZ-CB 3.55Å; F116-V178 HydrophobicContact CZ-CG1 3.7Å; F116-V178 HydrophobicContact CZ-CG2 3.74Å; F116-V178 PolarHBondContact N-O 2.7Å; F116-V178 VanDerWaalsContact N-O 3.17Å; F116-V178 PolarHBondContact O-N 2.79Å; F116-I180 HydrophobicContact CE1-CD1 3.77Å; F116-I180 HydrophobicContact CE1-CG1 4.31Å; F116-V216 HydrophobicContact CB-CG1 4.45Å; F116-V216 HydrophobicContact CD2-CG1 4.04Å; F116-I219 HydrophobicContact CB-CB 4.44Å; F116-I219 HydrophobicContact CB-CG1 3.99Å
117T92Very high80.2Confident20 Ų2055.3 Ų55.312%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-106.1146.9168700000109.7Q176 I177 V216 D217 N218T117-Q176 CarbonylContact C-O 3.28Å; T117-Q176 VanDerWaalsContact CA-O 3.25Å; T117-Q176 WeakPolarHBondContact CA-O 3.42Å; T117-I177 HydrophobicContact CG2-CG1 4.08Å; T117-V216 WeakPolarHBondContact O-CA 3.36Å; T117-D217 PolarHBondContact N-O 3.37Å; T117-D217 PolarHBondContact O-N 3.25Å; T117-D217 PolarHBondContact OG1-O 3.41Å; T117-N218 HydrophobicContact CG2-CB 4.44Å
118Y92Very high81.4Confident3 Ų349 Ų491%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-143157.4177.380.5-71.8000112.7F116 I120 L130 W159 W175 Q176 V178 C215F116-Y118 HydrophobicContact CE2-CD1 4.08Å; F116-Y118 HydrophobicContact CE2-CG 4.24Å; Y118-I120 HydrophobicContact CD2-CD1 4.01Å; Y118-I120 HydrophobicContact CD2-CG1 3.86Å; Y118-I120 HydrophobicContact CE2-CD1 3.81Å; Y118-I120 HydrophobicContact CE2-CG1 3.98Å; Y118-L130 HydrophobicContact CD2-CD2 3.9Å; Y118-L130 HydrophobicContact CG-CD2 4.01Å; Y118-W159 HydrophobicContact CD1-CH2 4.36Å; Y118-W159 HydrophobicContact CD2-CH2 4.5Å; Y118-W159 AromaticContact CE1-CH2 3.98Å; Y118-W159 HydrophobicContact CE1-CH2 3.98Å; Y118-W159 HydrophobicContact CE1-CZ2 4.1Å; Y118-W159 HydrophobicContact CE2-CH2 4.15Å; Y118-W159 AromaticContact CZ-CH2 3.87Å; Y118-W175 VanDerWaalsContact C-CE3 3.48Å; Y118-W175 WeakPolarHBondContact O-CA 3.38Å; Y118-Q176 HydrophobicContact CD1-CB 3.99Å; Y118-Q176 WeakPolarHBondContact CD1-O 3.3Å; Y118-Q176 HydrophobicContact CE1-CB 3.49Å; Y118-Q176 VanDerWaalsContact CE1-CB 3.49Å; Y118-Q176 PolarHBondContact N-O 3.09Å; Y118-Q176 PolarHBondContact O-N 2.95Å; Y118-Q176 PolarHBondContact OH-OE1 3.29Å; Y118-V178 HydrophobicContact CD1-CG2 3.54Å; Y118-V178 HydrophobicContact CE1-CG2 3.32Å; Y118-C215 CarbonylContact C-O 3.55Å; Y118-C215 VanDerWaalsContact CA-O 3.25Å; Y118-C215 WeakPolarHBondContact CA-O 3.44Å
119F88.6Confident82.8Confident44 Ų4447 Ų4719%0.19322%0.223CC..EExtended strand (participates in β ladder)trans-135.5128.8-178.8175.5-88000109.4P121 S173 W175 I214 C215F119-P121 HydrophobicContact CE1-CG 3.96Å; F119-S173 WeakPolarHBondContact CE2-O 3.45Å; F119-W175 HydrophobicContact CB-CD2 3.77Å; F119-W175 HydrophobicContact CB-CE3 3.78Å; F119-W175 HydrophobicContact CB-CG 4.47Å; F119-W175 HydrophobicContact CB-CH2 3.84Å; F119-W175 HydrophobicContact CB-CZ2 3.8Å; F119-W175 HydrophobicContact CB-CZ3 3.84Å; F119-W175 HydrophobicContact CG-CZ2 4.37Å; F119-I214 WeakPolarHBondContact O-CA 3.31Å; F119-C215 HydrophobicContact CB-CB 4.41Å; F119-C215 PolarHBondContact N-O 2.93Å; F119-C215 PolarHBondContact O-N 3.45Å
120I87.4Confident84Confident13 Ų1340.9 Ų40.97%0.06720%0.195CC..  trans-131.6126.3170.6-52.9-178.5000107.8Y118 S122 A125 L130 I214Y118-I120 HydrophobicContact CD2-CD1 4.01Å; Y118-I120 HydrophobicContact CD2-CG1 3.86Å; Y118-I120 HydrophobicContact CE2-CD1 3.81Å; Y118-I120 HydrophobicContact CE2-CG1 3.98Å; I120-S122 PolarHBondContact O-N 3.01Å; I120-A125 HydrophobicContact CB-CB 4.45Å; I120-A125 HydrophobicContact CG2-CB 4Å; I120-L130 HydrophobicContact CD1-CB 4.44Å; I120-I214 HydrophobicContact CG1-CG1 4.32Å; I120-I214 HydrophobicContact CG1-CG2 4.14Å; I120-I214 HydrophobicContact CG2-CG1 4.49Å
121P81.8Confident84.8Confident29 Ų2940 Ų4019%0.18819%0.191CC..  trans-54.9131.3174.7-27.334000112.1F119 K123 T124 A125 R213F119-P121 HydrophobicContact CE1-CG 3.96Å; P121-K123 PolarHBondContact O-N 3.5Å; P121-K123 VanDerWaalsContact O-N 3.11Å; P121-T124 PolarHBondContact O-N 3.47Å; P121-T124 PolarHBondContact O-OG1 2.81Å; P121-A125 PolarHBondContact O-N 3.48Å; P121-R213 WeakPolarHBondContact CD-O 3.23Å
122S72.1Confident85.3Confident45 Ų4539.4 Ų39.432%0.31519%0.188SC..THydrogen-bonded Turntrans-50.1-40179.445.10000113.8I120 T124 A125 F170I120-S122 PolarHBondContact O-N 3.01Å; S122-T124 PolarHBondContact O-N 3.04Å; S122-T124 VanDerWaalsContact O-N 3.12Å; S122-A125 PolarHBondContact O-N 3.45Å; S122-F170 WeakPolarHBondContact CB-O 3.33Å
123K74.2Confident85.6Confident186 Ų18637.1 Ų37.181%0.80918%0.181SC*.THydrogen-bonded Turntrans-56.5-24.3177.1-64.2-178.6-179.9177.60114.2P121P121-K123 PolarHBondContact O-N 3.5Å; P121-K123 VanDerWaalsContact O-N 3.11Å
124T75.7Confident85.6Confident8 Ų839.2 Ų39.25%0.04919%0.189CC..THydrogen-bonded Turntrans-122.8-10.6-175.269.40000113.2P121 S122 L126 K127 S128 Y209 A212P121-T124 PolarHBondContact O-N 3.47Å; P121-T124 PolarHBondContact O-OG1 2.81Å; S122-T124 PolarHBondContact O-N 3.04Å; S122-T124 VanDerWaalsContact O-N 3.12Å; T124-L126 PolarHBondContact O-N 3.01Å; T124-K127 PolarHBondContact O-N 3.37Å; T124-S128 WeakPolarHBondContact CB-OG 3.21Å; T124-S128 WeakPolarHBondContact O-CB 3.32Å; T124-S128 PolarHBondContact O-N 3.05Å; T124-S128 PolarHBondContact O-OG 3.48Å; T124-S128 PolarHBondContact OG1-OG 3.11Å; T124-S128 VanDerWaalsContact OG1-OG 3.13Å; T124-Y209 HydrophobicContact CG2-CD1 3.82Å; T124-Y209 HydrophobicContact CG2-CG 4.04Å; T124-A212 HydrophobicContact CG2-CB 3.78Å
125A69.3Low85.4Confident12 Ų1239.5 Ų39.510%0.09919%0.19CC..THydrogen-bonded Turntrans-57.1-23.4-174.900000116I120 P121 S122 K127 P168 F170I120-A125 HydrophobicContact CB-CB 4.45Å; I120-A125 HydrophobicContact CG2-CB 4Å; P121-A125 PolarHBondContact O-N 3.48Å; S122-A125 PolarHBondContact O-N 3.45Å; A125-K127 VanDerWaalsContact C-N 3.31Å; A125-P168 HydrophobicContact CB-CG 4.14Å; A125-F170 HydrophobicContact CB-CD1 3.98Å; A125-F170 HydrophobicContact CB-CE1 3.95Å
126L70.6Confident85.1Confident141 Ų14139 Ų3974%0.73819%0.189SC*.THydrogen-bonded Turntrans-81.2-4173.1-71.6172.1000114.4T124 F170T124-L126 PolarHBondContact O-N 3.01Å; L126-F170 HydrophobicContact CD2-CD1 4.39Å; L126-F170 HydrophobicContact CD2-CE1 3.51Å; L126-F170 HydrophobicContact CD2-CE2 4.28Å; L126-F170 HydrophobicContact CD2-CZ 3.45Å; L126-F170 VanDerWaalsContact CD2-CZ 3.45Å; L126-F170 HydrophobicContact CG-CD1 4.13Å; L126-F170 HydrophobicContact CG-CE1 3.62Å; L126-F170 HydrophobicContact CG-CZ 4.09Å
127K79.1Confident84.5Confident116 Ų11642.3 Ų42.350%0.50421%0.207SC..THydrogen-bonded Turntrans-132.5-35-174.7-61.8-177.1177-177.40113T124 A125 P206 Y209T124-K127 PolarHBondContact O-N 3.37Å; A125-K127 VanDerWaalsContact C-N 3.31Å; K127-P206 HydrophobicContact CB-CB 3.54Å; K127-P206 HydrophobicContact CB-CG 3.67Å; K127-Y209 HydrophobicContact CD-CD2 4.32Å; K127-Y209 HydrophobicContact CD-CE2 3.62Å; K127-Y209 PolarHBondContact NZ-OH 3.48Å
128S84.7Confident83.8Confident0 Ų049.6 Ų49.60%023%0.232CC..  trans-64.5136.2169-69.60000110.4T124 T204T124-S128 WeakPolarHBondContact CB-OG 3.21Å; T124-S128 WeakPolarHBondContact O-CB 3.32Å; T124-S128 PolarHBondContact O-N 3.05Å; T124-S128 PolarHBondContact O-OG 3.48Å; T124-S128 PolarHBondContact OG1-OG 3.11Å; T124-S128 VanDerWaalsContact OG1-OG 3.13Å; S128-T204 WeakPolarHBondContact CA-O 3.34Å
129R88.5Confident82.9Confident95 Ų9551.1 Ų51.136%0.35825%0.245SC..EExtended strand (participates in β ladder)trans-121.8132.9174.5-174178.278.6-148.84110.1T131 V162 E202 G203 T204 I214R129-T131 HydrophobicContact CG-CG2 4.3Å; R129-T131 PolarHBondContact NE-OG1 2.96Å; R129-T131 VanDerWaalsContact NE-OG1 3.14Å; R129-V162 HydrophobicContact CB-CG2 4.22Å; R129-V162 HydrophobicContact CG-CG2 3.99Å; R129-E202 IonicContact CZ-OE2 2.68Å; R129-E202 IonicContact NE-OE2 3.4Å; R129-E202 IonicContact NH2-OE1 3.52Å; R129-E202 PolarHBondContact NH2-OE1 3.24Å; R129-E202 IonicContact NH2-OE2 2.76Å; R129-E202 PolarHBondContact NH2-OE2 3.07Å; R129-G203 CarbonylContact O-C 3.58Å; R129-T204 PolarHBondContact N-O 3.4Å; R129-T204 PolarHBondContact O-N 3.03Å; R129-I214 WeakPolarHBondContact O-CD1 3.22Å
130L92.9Very high82.6Confident0 Ų050.9 Ų50.90%025%0.249CC..EExtended strand (participates in β ladder)trans-114.1125163.2-173.763.5000107.8W55 F116 Y118 I120 W159 S160 S161 L201 I214 V216W55-L130 HydrophobicContact CH2-CD1 3.79Å; W55-L130 HydrophobicContact CZ2-CD1 4.15Å; F116-L130 HydrophobicContact CE2-CD2 4.11Å; Y118-L130 HydrophobicContact CD2-CD2 3.9Å; Y118-L130 HydrophobicContact CG-CD2 4.01Å; I120-L130 HydrophobicContact CD1-CB 4.44Å; L130-W159 HydrophobicContact CB-CZ3 4.09Å; L130-W159 HydrophobicContact CD2-CH2 4.47Å; L130-W159 HydrophobicContact CD2-CZ3 4.08Å; L130-W159 HydrophobicContact CG-CZ3 4Å; L130-W159 WeakPolarHBondContact O-CZ3 3.21Å; L130-S160 CarbonylContact O-C 3.58Å; L130-S160 WeakPolarHBondContact O-CA 3.47Å; L130-S161 PolarHBondContact N-OG 3.39Å; L130-S161 PolarHBondContact O-N 2.77Å; L130-L201 HydrophobicContact CD1-CD1 3.69Å; L130-L201 HydrophobicContact CD1-CG 4.21Å; L130-L201 HydrophobicContact CG-CD1 4.23Å; L130-I214 HydrophobicContact CB-CG2 4.32Å; L130-I214 HydrophobicContact CD1-CG2 4.05Å; L130-I214 HydrophobicContact CD2-CG2 4.23Å; L130-I214 HydrophobicContact CG-CG2 4.44Å; L130-V216 HydrophobicContact CD1-CG2 4.22Å; L130-V216 HydrophobicContact CD2-CG2 3.65Å
131T93.4Very high82.2Confident10 Ų1056 Ų566%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-128.9135.6-173.40.60000109.3R129 E202R129-T131 HydrophobicContact CG-CG2 4.3Å; R129-T131 PolarHBondContact NE-OG1 2.96Å; R129-T131 VanDerWaalsContact NE-OG1 3.14Å; T131-E202 WeakPolarHBondContact CB-OE2 3.23Å; T131-E202 PolarHBondContact N-O 2.81Å; T131-E202 PolarHBondContact O-N 2.87Å; T131-E202 PolarHBondContact OG1-O 3.11Å; T131-E202 PolarHBondContact OG1-OE2 3.2Å
132I93.8Very high82.2Confident7 Ų765.7 Ų65.74%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-115.3130.6171.1-61.5-175.6000108.9L114 F116 I158 W159 I180 I200 L201L114-I132 HydrophobicContact CD2-CD1 4.47Å; F116-I132 HydrophobicContact CD1-CD1 3.95Å; F116-I132 HydrophobicContact CE1-CD1 3.35Å; F116-I132 HydrophobicContact CE2-CD1 4.32Å; F116-I132 HydrophobicContact CZ-CD1 3.56Å; I132-I158 HydrophobicContact CB-CG1 4.28Å; I132-I158 HydrophobicContact CG2-CD1 3.88Å; I132-I158 HydrophobicContact CG2-CG1 3.84Å; I132-I158 WeakPolarHBondContact O-CG1 3.48Å; I132-I158 PolarHBondContact O-N 3.22Å; I132-W159 HydrophobicContact CG1-CE3 4.4Å; I132-W159 PolarHBondContact N-O 3.29Å; I132-W159 PolarHBondContact O-N 3.24Å; I132-I180 HydrophobicContact CB-CD1 4.2Å; I132-I180 HydrophobicContact CD1-CD1 3.84Å; I132-I180 HydrophobicContact CG1-CD1 4.5Å; I132-I180 HydrophobicContact CG2-CD1 4.35Å; I132-I200 WeakPolarHBondContact CA-O 3.5Å; I132-L201 HydrophobicContact CD1-CD1 3.87Å; I132-L201 HydrophobicContact CG1-CD1 3.65Å
133M91.8Very high82.7Confident23 Ų2366.3 Ų66.311%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-122.4150.3179.8-62.3171.5-8600110.9N155 K156 P157 L199 I200 E202M133-N155 HydrophobicContact CB-CB 4.31Å; M133-N155 HydrophobicContact SD-CB 3.95Å; M133-K156 CarbonylContact C-O 3.08Å; M133-K156 VanDerWaalsContact CA-O 3.24Å; M133-K156 WeakPolarHBondContact CA-O 3.36Å; M133-P157 HydrophobicContact CG-CB 4.26Å; M133-L199 WeakPolarHBondContact O-CA 3.31Å; M133-I200 HydrophobicContact CB-CB 4.28Å; M133-I200 HydrophobicContact CB-CD1 4.48Å; M133-I200 HydrophobicContact CE-CB 4.31Å; M133-I200 HydrophobicContact CE-CG2 4.12Å; M133-I200 PolarHBondContact N-O 2.72Å; M133-I200 PolarHBondContact O-N 3.06Å; M133-E202 HydrophobicContact CE-CB 3.65Å; M133-E202 HydrophobicContact CE-CG 4.34Å
134R90.4Very high83.2Confident43 Ų4362.5 Ų62.516%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-103.2122.3167.4-167.6-178.378.9-152.8-1.5109.3S136 K156 I158 Y197 L199R134-S136 PolarHBondContact NE-OG 2.85Å; R134-K156 PolarHBondContact N-O 3.03Å; R134-K156 PolarHBondContact O-N 2.8Å; R134-I158 HydrophobicContact CB-CG2 4.11Å; R134-Y197 HydrophobicContact CG-CD2 3.68Å; R134-Y197 HydrophobicContact CG-CE2 4.4Å; R134-Y197 HydrophobicContact CG-CG 3.83Å; R134-L199 HydrophobicContact CB-CD2 4.09Å; R134-L199 HydrophobicContact CG-CD2 4.04Å
135H88.9Confident83.3Confident9 Ų967.8 Ų67.84%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-98107.9168.1-17893.9000108.1W96 C153 N155 Y197 K198 I200 P817W96-H135 HydrophobicContact CZ3-CB 3.93Å; W96-H135 AromaticContact CZ3-CG 3.84Å; H135-C153 VanDerWaalsContact CE1-CB 3.44Å; H135-C153 WeakPolarHBondContact CE1-CB 3.43Å; H135-N155 PolarHBondContact ND1-OD1 2.89Å; H135-Y197 CarbonylContact O-C 3.58Å; H135-Y197 WeakPolarHBondContact O-CA 3.45Å; H135-Y197 WeakPolarHBondContact O-CB 3.37Å; H135-K198 PolarHBondContact N-O 3.4Å; H135-K198 PolarHBondContact O-N 3.09Å; H135-I200 HydrophobicContact CB-CD1 4.21Å; H135-I200 HydrophobicContact CB-CG1 4.49Å; H135-P817 WeakPolarHBondContact NE2-CG 3.38Å
136S87Confident83.9Confident14 Ų1477.7 Ų77.710%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-98130.2-179.7-76.10000110.3R134 R138 A139 S195R134-S136 PolarHBondContact NE-OG 2.85Å; S136-R138 PolarHBondContact O-N 2.86Å; S136-A139 WeakPolarHBondContact O-CB 3.37Å; S136-A139 PolarHBondContact O-N 2.89Å; S136-S195 WeakPolarHBondContact CB-OG 3.42Å
137D81.4Confident84.6Confident71 Ų7173.7 Ų73.738%0.3835%0.351SS..EExtended strand (participates in β ladder)trans-57.7-20.2-174.4-63.413000114.3H99 D196H99-D137 IonicContact CD2-OD1 3.47Å; H99-D137 IonicContact CD2-OD2 2.79Å; H99-D137 IonicContact CE1-OD2 3.53Å; H99-D137 IonicContact NE2-OD1 3.21Å; H99-D137 PolarHBondContact NE2-OD1 3.49Å; H99-D137 IonicContact NE2-OD2 3.51Å; H99-D137 PolarHBondContact NE2-OD2 3.46Å; D137-D196 PolarHBondContact N-O 3.41Å; D137-D196 VanDerWaalsContact N-O 3.11Å
138R76.1Confident84.8Confident173 Ų17373.7 Ų73.765%0.65336%0.356SS*.EExtended strand (participates in β ladder)trans-100.73.7177.5-64.8-175.6-177.8-166.7-7.5114.5S136 C140 S192S136-R138 PolarHBondContact O-N 2.86Å; R138-C140 PolarHBondContact O-N 2.91Å; R138-S192 PolarHBondContact NH1-O 3.25Å
139A73.6Confident84.8Confident34 Ų3479.4 Ų79.428%0.28139%0.394SS..EExtended strand (participates in β ladder)trans-91.930.9174.800000111.9S136 C153 A154S136-A139 WeakPolarHBondContact O-CB 3.37Å; S136-A139 PolarHBondContact O-N 2.89Å; A139-C153 CarbonylContact O-C 3.56Å; A139-C153 WeakPolarHBondContact O-CA 3.36Å; A139-A154 PolarHBondContact O-N 3.08Å
140C81.2Confident84.5Confident40 Ų4076.3 Ų76.327%0.2739%0.388SS..EExtended strand (participates in β ladder)trans-119104.8-173.2-66.20000110.6R138 V151 V152 C153R138-C140 PolarHBondContact O-N 2.91Å; C140-V151 HydrophobicContact CB-CG1 3.71Å; C140-V152 CarbonylContact C-O 3.51Å; C140-V152 WeakPolarHBondContact CA-O 3.27Å; C140-C153 HydrophobicContact CB-CB 4.12Å; C140-C153 WeakPolarHBondContact CB-SG 3.48Å; C140-C153 WeakPolarHBondContact SG-CB 3.46Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 3.29Å
141D80.1Confident83.9Confident121 Ų12179 Ų7965%0.64741%0.405SS*.EExtended strand (participates in β ladder)trans-87.2143.2178.2-76.3-45.2000111.2V151 V152D141-V151 WeakPolarHBondContact O-CA 3.29Å; D141-V152 PolarHBondContact N-O 3.28Å; D141-V152 PolarHBondContact O-N 3.39Å
142R80.9Confident83.3Confident231 Ų23179.9 Ų79.987%0.87241%0.41SS*.EExtended strand (participates in β ladder)trans-89.2114.6172.7-68.5-175.7177.6-164.5-2.7109.1V151R142-V151 HydrophobicContact CG-CG2 4.46Å
143V84.2Confident82.7Confident58 Ų5879.8 Ų79.835%0.35241%0.41SS..EExtended strand (participates in β ladder)trans-118.4162.5-179.5-56.70000110.2A150 V152V143-A150 HydrophobicContact CG2-CB 4Å; V143-A150 PolarHBondContact N-O 2.91Å; V143-A150 PolarHBondContact O-N 3.42Å; V143-V152 HydrophobicContact CG2-CB 4.38Å; V143-V152 HydrophobicContact CG2-CG2 3.65Å
144T84.4Confident82.2Confident107 Ų10781.6 Ų81.666%0.65643%0.428SS*.EExtended strand (participates in β ladder)trans-108.5105.1172.7-56.70000109G147 D148T144-G147 VanDerWaalsContact CG2-C 3.48Å; T144-G147 WeakPolarHBondContact CG2-O 3.48Å; T144-D148 CarbonylContact C-O 3.59Å; T144-D148 WeakPolarHBondContact CA-O 3.5Å
145Y76.5Confident82.1Confident118 Ų11880.6 Ų80.646%0.46343%0.426SS..EExtended strand (participates in β ladder)trans-100.3120.1179.3-173.6-117.8000109.6G147 D148Y145-G147 PolarHBondContact O-N 2.86Å; Y145-D148 PolarHBondContact N-O 3.34Å; Y145-D148 PolarHBondContact O-N 3.43Å
146R83.2Confident82Confident221 Ų22184.3 Ų84.383%0.83444%0.442SS*.THydrogen-bonded Turntrans56.65.8-175-59.3-173.8176.2-140.3-0.9116.9
147G85.1Confident82.1Confident57 Ų5787.8 Ų87.859%0.58846%0.464SS*.THydrogen-bonded Turntrans118.3-21.4-176.100000112.8T144 Y145T144-G147 VanDerWaalsContact CG2-C 3.48Å; T144-G147 WeakPolarHBondContact CG2-O 3.48Å; Y145-G147 PolarHBondContact O-N 2.86Å
148D83Confident82.5Confident115 Ų11586.7 Ų86.762%0.61546%0.458SS*.EExtended strand (participates in β ladder)trans-86.1144.7178.9-63.7-54.4000111.6T144 Y145 A150T144-D148 CarbonylContact C-O 3.59Å; T144-D148 WeakPolarHBondContact CA-O 3.5Å; Y145-D148 PolarHBondContact N-O 3.34Å; Y145-D148 PolarHBondContact O-N 3.43Å; D148-A150 PolarHBondContact O-N 3.49Å
149P85Confident83.3Confident121 Ų12180.2 Ų80.279%0.78643%0.434SS*.EExtended strand (participates in β ladder)trans-73.6112.2174.430.1-32.8000110.2
150A81.8Confident84Confident30 Ų3079.4 Ų79.425%0.24843%0.426CS..EExtended strand (participates in β ladder)trans-108.5158.8174.500000110.9V143 D148V143-A150 HydrophobicContact CG2-CB 4Å; V143-A150 PolarHBondContact N-O 2.91Å; V143-A150 PolarHBondContact O-N 3.42Å; D148-A150 PolarHBondContact O-N 3.49Å
151V80.5Confident84.3Confident57 Ų5778 Ų7835%0.34542%0.417SS..EExtended strand (participates in β ladder)trans-110.8133.4166.4-176.90000106.8C140 D141 R142 G819C140-V151 HydrophobicContact CB-CG1 3.71Å; D141-V151 WeakPolarHBondContact O-CA 3.29Å; R142-V151 HydrophobicContact CG-CG2 4.46Å; V151-G819 CarbonylContact O-C 3.49Å; V151-G819 WeakPolarHBondContact O-CA 3.45Å
152V80.1Confident84.4Confident27 Ų2776.7 Ų76.716%0.16441%0.412CS..EExtended strand (participates in β ladder)trans-120.9120.6174170.30000107.8C140 D141 V143 E822C140-V152 CarbonylContact C-O 3.51Å; C140-V152 WeakPolarHBondContact CA-O 3.27Å; D141-V152 PolarHBondContact N-O 3.28Å; D141-V152 PolarHBondContact O-N 3.39Å; V143-V152 HydrophobicContact CG2-CB 4.38Å; V143-V152 HydrophobicContact CG2-CG2 3.65Å; V152-E822 HydrophobicContact CG1-CG 3.98Å
153C82.8Confident83.7Confident6 Ų671.8 Ų71.84%0.04140%0.404CS..EExtended strand (participates in β ladder)trans-107.3129.8-177-62.90000111.4H135 A139 C140 G819 Y820H135-C153 VanDerWaalsContact CE1-CB 3.44Å; H135-C153 WeakPolarHBondContact CE1-CB 3.43Å; A139-C153 CarbonylContact O-C 3.56Å; A139-C153 WeakPolarHBondContact O-CA 3.36Å; C140-C153 HydrophobicContact CB-CB 4.12Å; C140-C153 WeakPolarHBondContact CB-SG 3.48Å; C140-C153 WeakPolarHBondContact SG-CB 3.46Å; C140-C153 CovalentContact SG-SG 2.04Å; C140-C153 PolarHBondContact SG-SG 3.29Å; C153-G819 PolarHBondContact N-O 3.33Å; C153-G819 VanDerWaalsContact N-O 3.12Å; C153-Y820 WeakPolarHBondContact O-CE2 3.39Å; C153-Y820 PolarHBondContact O-OH 3.44Å; C153-Y820 VanDerWaalsContact O-OH 3.05Å
154A80.5Confident82.5Confident60 Ų6069.9 Ų69.950%0.49639%0.393SS..EExtended strand (participates in β ladder)trans-90107.5-179.400000112.3A139 K156A139-A154 PolarHBondContact O-N 3.08Å; A154-K156 PolarHBondContact O-N 2.81Å
155N87.8Confident80.9Confident23 Ų2372.7 Ų72.712%0.12340%0.404CS..EExtended strand (participates in β ladder)trans-72.2118.9167.9-66.1-20.4000110.3M133 H135 P157 I200 Y820M133-N155 HydrophobicContact CB-CB 4.31Å; M133-N155 HydrophobicContact SD-CB 3.95Å; H135-N155 PolarHBondContact ND1-OD1 2.89Å; N155-P157 WeakPolarHBondContact O-CD 3.25Å; N155-I200 HydrophobicContact CB-CD1 4.37Å; N155-I200 VanDerWaalsContact ND2-CD1 3.3Å; N155-I200 WeakPolarHBondContact ND2-CD1 3.37Å; N155-Y820 HydrophobicContact CB-CE2 4.4Å; N155-Y820 WeakPolarHBondContact CB-OH 3.04Å; N155-Y820 VanDerWaalsContact CG-CE2 3.45Å; N155-Y820 VanDerWaalsContact CG-OH 3.3Å; N155-Y820 PolarHBondContact N-OH 2.99Å; N155-Y820 WeakPolarHBondContact ND2-CE2 3.42Å; N155-Y820 PolarHBondContact ND2-OH 3.06Å
156K87.9Confident79.7Confident87 Ų8770.3 Ų70.338%0.37840%0.404SS..EExtended strand (participates in β ladder)trans-91.1116.7177.5-174.8-173.5177.4-169.40110.5M133 R134 A154 I158 Q185M133-K156 CarbonylContact C-O 3.08Å; M133-K156 VanDerWaalsContact CA-O 3.24Å; M133-K156 WeakPolarHBondContact CA-O 3.36Å; R134-K156 PolarHBondContact N-O 3.03Å; R134-K156 PolarHBondContact O-N 2.8Å; A154-K156 PolarHBondContact O-N 2.81Å; K156-I158 PolarHBondContact O-N 3.11Å; K156-Q185 VanDerWaalsContact NZ-CD 3.25Å; K156-Q185 VanDerWaalsContact NZ-OE1 3.1Å
157P89Confident78.3Confident86 Ų8665.8 Ų65.856%0.55840%0.396SS*.EExtended strand (participates in β ladder)trans-63.4131.5169.626.9-33.2000110.4M133 N155M133-P157 HydrophobicContact CG-CB 4.26Å; N155-P157 WeakPolarHBondContact O-CD 3.25Å
158I89.6Confident76.7Confident48 Ų4864 Ų6425%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-114.3-20.7178.161.4176000112.6I132 R134 K156 I180 L182 L199I132-I158 HydrophobicContact CB-CG1 4.28Å; I132-I158 HydrophobicContact CG2-CD1 3.88Å; I132-I158 HydrophobicContact CG2-CG1 3.84Å; I132-I158 WeakPolarHBondContact O-CG1 3.48Å; I132-I158 PolarHBondContact O-N 3.22Å; R134-I158 HydrophobicContact CB-CG2 4.11Å; K156-I158 PolarHBondContact O-N 3.11Å; I158-I180 HydrophobicContact CB-CG2 4.39Å; I158-I180 HydrophobicContact CD1-CG2 3.91Å; I158-I180 HydrophobicContact CG1-CG2 4.17Å; I158-L182 HydrophobicContact CD1-CD2 3.8Å; I158-L199 HydrophobicContact CD1-CD2 4.04Å
159W91.6Very high75.3Confident38 Ų3862.3 Ų62.314%0.14437%0.365CS..EExtended strand (participates in β ladder)trans-154.4155.2171.8-178.388000112.1F116 Y118 L130 I132 V178 I180F116-W159 HydrophobicContact CE2-CH2 4.42Å; F116-W159 HydrophobicContact CE2-CZ3 4.27Å; F116-W159 HydrophobicContact CZ-CD2 4.28Å; F116-W159 AromaticContact CZ-CE3 3.89Å; F116-W159 HydrophobicContact CZ-CE3 3.89Å; F116-W159 HydrophobicContact CZ-CH2 4.1Å; F116-W159 AromaticContact CZ-CZ3 3.79Å; F116-W159 HydrophobicContact CZ-CZ3 3.79Å; Y118-W159 HydrophobicContact CD1-CH2 4.36Å; Y118-W159 HydrophobicContact CD2-CH2 4.5Å; Y118-W159 AromaticContact CE1-CH2 3.98Å; Y118-W159 HydrophobicContact CE1-CH2 3.98Å; Y118-W159 HydrophobicContact CE1-CZ2 4.1Å; Y118-W159 HydrophobicContact CE2-CH2 4.15Å; Y118-W159 AromaticContact CZ-CH2 3.87Å; L130-W159 HydrophobicContact CB-CZ3 4.09Å; L130-W159 HydrophobicContact CD2-CH2 4.47Å; L130-W159 HydrophobicContact CD2-CZ3 4.08Å; L130-W159 HydrophobicContact CG-CZ3 4Å; L130-W159 WeakPolarHBondContact O-CZ3 3.21Å; I132-W159 HydrophobicContact CG1-CE3 4.4Å; I132-W159 PolarHBondContact N-O 3.29Å; I132-W159 PolarHBondContact O-N 3.24Å; W159-V178 HydrophobicContact CD2-CG1 4.07Å; W159-V178 HydrophobicContact CG-CG1 4.2Å; W159-V178 HydrophobicContact CH2-CG2 4.07Å; W159-V178 HydrophobicContact CZ2-CB 4.48Å; W159-V178 HydrophobicContact CZ2-CG1 4.09Å; W159-V178 HydrophobicContact CZ2-CG2 3.54Å; W159-I180 HydrophobicContact CB-CD1 3.37Å; W159-I180 HydrophobicContact CB-CG1 3.95Å; W159-I180 HydrophobicContact CG-CD1 3.88Å; W159-I180 HydrophobicContact CG-CG1 4.21Å
160S89.7Confident73.8Confident16 Ų1659.8 Ų59.811%0.11234%0.342CS..EExtended strand (participates in β ladder)trans-152132.7175.8172.90000111L130 V162 N163 S164L130-S160 CarbonylContact O-C 3.58Å; L130-S160 WeakPolarHBondContact O-CA 3.47Å; S160-V162 PolarHBondContact O-N 2.97Å; S160-V162 VanDerWaalsContact O-N 3.12Å; S160-V162 PolarHBondContact OG-N 3.25Å; S160-N163 PolarHBondContact O-N 3.28Å; S160-S164 PolarHBondContact O-N 3.29Å
161S87.2Confident72.2Confident12 Ų1265.2 Ų65.28%0.08437%0.367CS..THydrogen-bonded Turntrans-64.6-12177.770.50000114.8L130 S164L130-S161 PolarHBondContact N-OG 3.39Å; L130-S161 PolarHBondContact O-N 2.77Å; S161-S164 PolarHBondContact O-OG 3.38Å
162V80.7Confident71.1Confident92 Ų9267.9 Ų67.956%0.55838%0.376SS*.THydrogen-bonded Turntrans-90.2-21.4177.1-179.60000111.3R129 S160R129-V162 HydrophobicContact CB-CG2 4.22Å; R129-V162 HydrophobicContact CG-CG2 3.99Å; S160-V162 PolarHBondContact O-N 2.97Å; S160-V162 VanDerWaalsContact O-N 3.12Å; S160-V162 PolarHBondContact OG-N 3.25Å
163N66.3Low70.4Confident129 Ų12970 Ų7069%0.6939%0.391SS*.SBendtrans-109.72.5-175.4-62.86.3000112.6S160S160-N163 PolarHBondContact O-N 3.28Å
164S60.4Low70.2Confident17 Ų1774 Ų7412%0.11941%0.411CS..  trans-73.4126.9177.351.40000110.7S160 S161 S166 L167S160-S164 PolarHBondContact O-N 3.29Å; S161-S164 PolarHBondContact O-OG 3.38Å; S164-S166 WeakPolarHBondContact CB-OG 3.29Å; S164-S166 CarbonylContact O-C 3.5Å; S164-S166 PolarHBondContact O-N 3.3Å; S164-S166 VanDerWaalsContact O-N 3.17Å; S164-S166 VanDerWaalsContact O-O 3.1Å; S164-S166 PolarHBondContact OG-O 3.48Å; S164-L167 PolarHBondContact O-N 3.37Å
165N49.8Very low70.5Confident166 Ų16673.7 Ų73.789%0.88840%0.397SS*.SBendtrans-61.5-23.1176.6-70.2-23.8000112.6L167N165-L167 PolarHBondContact O-N 2.03Å
166S52.7Low70.5Confident68 Ų6874.3 Ų74.348%0.47640%0.399SS..SBendtrans-6887.3151.356.10000109S164S164-S166 WeakPolarHBondContact CB-OG 3.29Å; S164-S166 CarbonylContact O-C 3.5Å; S164-S166 PolarHBondContact O-N 3.3Å; S164-S166 VanDerWaalsContact O-N 3.17Å; S164-S166 VanDerWaalsContact O-O 3.1Å; S164-S166 PolarHBondContact OG-O 3.48Å
167L51.8Low70.5Confident126 Ų12675 Ų7566%0.6641%0.407SS*.  trans-58.8129.5152-72.288.9000105.8S164 N165 D169 F170S164-L167 PolarHBondContact O-N 3.37Å; N165-L167 PolarHBondContact O-N 2.03Å; L167-D169 PolarHBondContact O-N 3.44Å; L167-F170 HydrophobicContact CB-CE2 3.98Å; L167-F170 HydrophobicContact CB-CZ 4.3Å; L167-F170 HydrophobicContact CD2-CE2 3.89Å; L167-F170 HydrophobicContact CD2-CZ 4.23Å
168P53.3Low70.6Confident19 Ų1971.4 Ų71.412%0.12338%0.383CS..  trans-58.3138.4174.926.3-33.9000108.1A125 F170A125-P168 HydrophobicContact CB-CG 4.14Å; P168-F170 VanDerWaalsContact C-N 3.28Å; P168-F170 HydrophobicContact CG-CD1 4.09Å; P168-F170 HydrophobicContact CG-CE1 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.91Å; P168-F170 WeakPolarHBondContact O-CD2 3.15Å; P168-F170 WeakPolarHBondContact O-CE2 3.39Å; P168-F170 WeakPolarHBondContact O-CG 3.38Å; P168-F170 PolarHBondContact O-N 3.1Å
169D52.5Low70.6Confident80 Ų8072 Ų7243%0.42838%0.384SS..  trans-65.494.4174.4179.64.8000108.2L167 N171 Q172L167-D169 PolarHBondContact O-N 3.44Å; D169-N171 PolarHBondContact O-N 3.05Å; D169-N171 PolarHBondContact OD1-N 2.85Å; D169-N171 PolarHBondContact OD1-ND2 3.4Å; D169-Q172 PolarHBondContact O-N 3.01Å; D169-Q172 VanDerWaalsContact O-O 3.04Å
170F53.8Low70.5Confident69 Ų6970.7 Ų70.730%0.30338%0.379SS..THydrogen-bonded Turntrans-60.6-9.1-170.8-58-81.8000113.3S122 A125 L126 L167 P168S122-F170 WeakPolarHBondContact CB-O 3.33Å; A125-F170 HydrophobicContact CB-CD1 3.98Å; A125-F170 HydrophobicContact CB-CE1 3.95Å; L126-F170 HydrophobicContact CD2-CD1 4.39Å; L126-F170 HydrophobicContact CD2-CE1 3.51Å; L126-F170 HydrophobicContact CD2-CE2 4.28Å; L126-F170 HydrophobicContact CD2-CZ 3.45Å; L126-F170 VanDerWaalsContact CD2-CZ 3.45Å; L126-F170 HydrophobicContact CG-CD1 4.13Å; L126-F170 HydrophobicContact CG-CE1 3.62Å; L126-F170 HydrophobicContact CG-CZ 4.09Å; L167-F170 HydrophobicContact CB-CE2 3.98Å; L167-F170 HydrophobicContact CB-CZ 4.3Å; L167-F170 HydrophobicContact CD2-CE2 3.89Å; L167-F170 HydrophobicContact CD2-CZ 4.23Å; P168-F170 VanDerWaalsContact C-N 3.28Å; P168-F170 HydrophobicContact CG-CD1 4.09Å; P168-F170 HydrophobicContact CG-CE1 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.91Å; P168-F170 WeakPolarHBondContact O-CD2 3.15Å; P168-F170 WeakPolarHBondContact O-CE2 3.39Å; P168-F170 WeakPolarHBondContact O-CG 3.38Å; P168-F170 PolarHBondContact O-N 3.1Å
171N49.2Very low70.5Confident143 Ų14371.6 Ų71.677%0.76538%0.382SS*.THydrogen-bonded Turntrans-82.2-20.4174.7-53.8-69.4000112.9D169D169-N171 PolarHBondContact O-N 3.05Å; D169-N171 PolarHBondContact OD1-N 2.85Å; D169-N171 PolarHBondContact OD1-ND2 3.4Å
172Q56Low70.4Confident114 Ų11471.9 Ų71.953%0.53338%0.382SS..SBendtrans-135.7121.1-174.3-60.2-174.275.800111.9D169 I174D169-Q172 PolarHBondContact O-N 3.01Å; D169-Q172 VanDerWaalsContact O-O 3.04Å; Q172-I174 VanDerWaalsContact C-N 3.34Å; Q172-I174 HydrophobicContact CB-CD1 3.68Å; Q172-I174 HydrophobicContact CB-CG1 3.72Å; Q172-I174 PolarHBondContact O-N 3.42Å
173S65.8Low70.1Confident71 Ų7169.1 Ų69.150%0.49736%0.364SS..  trans-7783.9174.558.10000110.4F119F119-S173 WeakPolarHBondContact CE2-O 3.45Å
174I78.9Confident69.8Low89 Ų8970 Ų7046%0.45636%0.364SS..  trans-112.4141.6-178.1-51.1175.8000109.7Q172 Q176Q172-I174 VanDerWaalsContact C-N 3.34Å; Q172-I174 HydrophobicContact CB-CD1 3.68Å; Q172-I174 HydrophobicContact CB-CG1 3.72Å; Q172-I174 PolarHBondContact O-N 3.42Å; I174-Q176 PolarHBondContact O-N 3.27Å; I174-Q176 PolarHBondContact O-NE2 3.32Å
175W86.6Confident69.4Low54 Ų5471.8 Ų71.821%0.20537%0.371CS..  trans-60.1126.8168.2-7494.5000111I60 F63 A67 Y118 F119 C215 D217I60-W175 HydrophobicContact CD1-CH2 4.16Å; I60-W175 HydrophobicContact CD1-CZ2 3.58Å; F63-W175 AromaticContact CD2-NE1 3.8Å; F63-W175 AromaticContact CE2-CD1 3.82Å; F63-W175 AromaticContact CE2-NE1 3.28Å; F63-W175 VanDerWaalsContact CE2-NE1 3.28Å; F63-W175 AromaticContact CZ-CD1 3.89Å; F63-W175 AromaticContact CZ-NE1 3.84Å; A67-W175 HydrophobicContact CB-CH2 3.92Å; Y118-W175 VanDerWaalsContact C-CE3 3.48Å; Y118-W175 WeakPolarHBondContact O-CA 3.38Å; F119-W175 HydrophobicContact CB-CD2 3.77Å; F119-W175 HydrophobicContact CB-CE3 3.78Å; F119-W175 HydrophobicContact CB-CG 4.47Å; F119-W175 HydrophobicContact CB-CH2 3.84Å; F119-W175 HydrophobicContact CB-CZ2 3.8Å; F119-W175 HydrophobicContact CB-CZ3 3.84Å; F119-W175 HydrophobicContact CG-CZ2 4.37Å; W175-C215 HydrophobicContact CH2-CB 3.71Å; W175-C215 HydrophobicContact CZ2-CB 4.37Å; W175-C215 HydrophobicContact CZ3-CB 4.48Å; W175-D217 HydrophobicContact CH2-CB 4.14Å; W175-D217 HydrophobicContact CZ3-CB 3.86Å
176Q87.1Confident69.6Low36 Ų3667.5 Ų67.517%0.16835%0.347CS..EExtended strand (participates in β ladder)trans-110.2139.4179.6-78.5152.777.400110.3T117 Y118 I174T117-Q176 CarbonylContact C-O 3.28Å; T117-Q176 VanDerWaalsContact CA-O 3.25Å; T117-Q176 WeakPolarHBondContact CA-O 3.42Å; Y118-Q176 HydrophobicContact CD1-CB 3.99Å; Y118-Q176 WeakPolarHBondContact CD1-O 3.3Å; Y118-Q176 HydrophobicContact CE1-CB 3.49Å; Y118-Q176 VanDerWaalsContact CE1-CB 3.49Å; Y118-Q176 PolarHBondContact N-O 3.09Å; Y118-Q176 PolarHBondContact O-N 2.95Å; Y118-Q176 PolarHBondContact OH-OE1 3.29Å; I174-Q176 PolarHBondContact O-N 3.27Å; I174-Q176 PolarHBondContact O-NE2 3.32Å
177I89.1Confident69.3Low103 Ų10369.9 Ų69.953%0.52836%0.359SS..EExtended strand (participates in β ladder)trans-95.6134.2177.3-45.5-174.6000108.3Q115 T117 F179Q115-I177 HydrophobicContact CG-CG2 3.74Å; T117-I177 HydrophobicContact CG2-CG1 4.08Å; I177-F179 HydrophobicContact CG2-CD2 4.48Å; I177-F179 HydrophobicContact CG2-CE2 3.85Å; I177-F179 HydrophobicContact CG2-CZ 4.01Å
178V89.8Confident69Low10 Ų1071.6 Ų71.66%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-119.8138.9177.2179.90000108.9Q115 F116 Y118 W159 I180Q115-V178 VanDerWaalsContact CA-O 3.25Å; Q115-V178 WeakPolarHBondContact CA-O 3.25Å; F116-V178 HydrophobicContact CD1-CB 4.1Å; F116-V178 HydrophobicContact CD1-CG1 4.44Å; F116-V178 HydrophobicContact CE1-CB 3.53Å; F116-V178 HydrophobicContact CE1-CG1 3.54Å; F116-V178 HydrophobicContact CE1-CG2 4.26Å; F116-V178 HydrophobicContact CE2-CB 4.11Å; F116-V178 HydrophobicContact CE2-CG2 4.01Å; F116-V178 HydrophobicContact CZ-CB 3.55Å; F116-V178 HydrophobicContact CZ-CG1 3.7Å; F116-V178 HydrophobicContact CZ-CG2 3.74Å; F116-V178 PolarHBondContact N-O 2.7Å; F116-V178 VanDerWaalsContact N-O 3.17Å; F116-V178 PolarHBondContact O-N 2.79Å; Y118-V178 HydrophobicContact CD1-CG2 3.54Å; Y118-V178 HydrophobicContact CE1-CG2 3.32Å; W159-V178 HydrophobicContact CD2-CG1 4.07Å; W159-V178 HydrophobicContact CG-CG1 4.2Å; W159-V178 HydrophobicContact CH2-CG2 4.07Å; W159-V178 HydrophobicContact CZ2-CB 4.48Å; W159-V178 HydrophobicContact CZ2-CG1 4.09Å; W159-V178 HydrophobicContact CZ2-CG2 3.54Å; V178-I180 HydrophobicContact CG1-CD1 4.42Å; V178-I180 HydrophobicContact CG1-CG1 3.93Å
179F90.5Very high68.6Low61 Ų6175 Ų7527%0.26838%0.383SS..EExtended strand (participates in β ladder)trans-117.3128.3170.3-62.3-89.1000109.3L114 Q115 I177 C226 L229L114-F179 CarbonylContact O-C 3.44Å; L114-F179 WeakPolarHBondContact O-CA 3.45Å; Q115-F179 HydrophobicContact CB-CD1 4.11Å; Q115-F179 HydrophobicContact CB-CE1 4.16Å; Q115-F179 HydrophobicContact CG-CD1 4.01Å; Q115-F179 HydrophobicContact CG-CE1 3.71Å; Q115-F179 HydrophobicContact CG-CZ 4.17Å; I177-F179 HydrophobicContact CG2-CD2 4.48Å; I177-F179 HydrophobicContact CG2-CE2 3.85Å; I177-F179 HydrophobicContact CG2-CZ 4.01Å; F179-C226 HydrophobicContact CB-CB 4.05Å; F179-L229 HydrophobicContact CD1-CB 4.31Å; F179-L229 HydrophobicContact CE1-CB 3.92Å
180I90.1Very high68.2Low9 Ų975 Ų755%0.04639%0.389CS..EExtended strand (participates in β ladder)trans-122117.3178.9-56.6178000109.3C113 L114 F116 I132 I158 W159 V178 L182 C226C113-I180 WeakPolarHBondContact CA-O 3.31Å; L114-I180 HydrophobicContact CB-CB 4.39Å; L114-I180 PolarHBondContact N-O 2.72Å; L114-I180 PolarHBondContact O-N 3.45Å; F116-I180 HydrophobicContact CE1-CD1 3.77Å; F116-I180 HydrophobicContact CE1-CG1 4.31Å; I132-I180 HydrophobicContact CB-CD1 4.2Å; I132-I180 HydrophobicContact CD1-CD1 3.84Å; I132-I180 HydrophobicContact CG1-CD1 4.5Å; I132-I180 HydrophobicContact CG2-CD1 4.35Å; I158-I180 HydrophobicContact CB-CG2 4.39Å; I158-I180 HydrophobicContact CD1-CG2 3.91Å; I158-I180 HydrophobicContact CG1-CG2 4.17Å; W159-I180 HydrophobicContact CB-CD1 3.37Å; W159-I180 HydrophobicContact CB-CG1 3.95Å; W159-I180 HydrophobicContact CG-CD1 3.88Å; W159-I180 HydrophobicContact CG-CG1 4.21Å; V178-I180 HydrophobicContact CG1-CD1 4.42Å; V178-I180 HydrophobicContact CG1-CG1 3.93Å; I180-L182 HydrophobicContact CG2-CD2 4.38Å; I180-L182 PolarHBondContact O-N 3.25Å; I180-C226 PolarHBondContact O-SG 2.97Å; I180-C226 VanDerWaalsContact O-SG 3.38Å
181Q88.6Confident68.1Low36 Ų3679.1 Ų79.117%0.16841%0.409CS..EExtended strand (participates in β ladder)trans-78.7116.1174.5-171.275.613.200109.7D183 Q184 C226Q181-D183 WeakPolarHBondContact CG-OD1 3.32Å; Q181-D183 PolarHBondContact NE2-OD1 2.77Å; Q181-D183 PolarHBondContact NE2-OD2 3.24Å; Q181-Q184 HydrophobicContact CB-CG 3.85Å; Q181-Q184 HydrophobicContact CG-CG 3.66Å; Q181-C226 PolarHBondContact N-SG 3.42Å; Q181-C226 PolarHBondContact OE1-SG 3.07Å; Q181-C226 VanDerWaalsContact OE1-SG 3.37Å
182L86Confident67.8Low17 Ų1775.6 Ų75.69%0.08940%0.396CS..SBendtrans-86.4-23.3-174.4-65170.3000113.3L32 I111 R112 L114 I158 I180 Q184 L199L32-L182 HydrophobicContact CD1-CD1 4.47Å; I111-L182 HydrophobicContact CB-CD1 4.49Å; I111-L182 HydrophobicContact CG2-CD1 3.88Å; R112-L182 PolarHBondContact O-N 3.48Å; L114-L182 HydrophobicContact CB-CD1 4.21Å; L114-L182 HydrophobicContact CB-CG 4.5Å; I158-L182 HydrophobicContact CD1-CD2 3.8Å; I180-L182 HydrophobicContact CG2-CD2 4.38Å; I180-L182 PolarHBondContact O-N 3.25Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; L182-Q184 PolarHBondContact O-N 3.38Å; L182-L199 HydrophobicContact CD2-CD1 4.47Å; L182-L199 HydrophobicContact CD2-CD2 4.41Å
183D74.3Confident67.7Low34 Ų3473.3 Ų73.318%0.18239%0.39CS..  trans-83.22.8-174.269.110.8000115.5R112 Q181 Q185 I186R112-D183 HydrophobicContact CG-CB 4.41Å; Q181-D183 WeakPolarHBondContact CG-OD1 3.32Å; Q181-D183 PolarHBondContact NE2-OD1 2.77Å; Q181-D183 PolarHBondContact NE2-OD2 3.24Å; D183-Q185 PolarHBondContact O-N 2.89Å; D183-I186 HydrophobicContact CB-CD1 3.87Å; D183-I186 HydrophobicContact CB-CG1 4.3Å; D183-I186 WeakPolarHBondContact O-CG1 3.33Å; D183-I186 PolarHBondContact O-N 3.32Å
184Q58.3Low67.7Low147 Ų14772.3 Ų72.369%0.68738%0.379SS*.THydrogen-bonded Turntrans-64.216.5-171.3-65.5-167.5-12.200116.9Q181 L182Q181-Q184 HydrophobicContact CB-CG 3.85Å; Q181-Q184 HydrophobicContact CG-CG 3.66Å; L182-Q184 VanDerWaalsContact C-N 3.35Å; L182-Q184 PolarHBondContact O-N 3.38Å
185Q53Low67.4Low56 Ų5668.7 Ų68.726%0.26236%0.362SS..THydrogen-bonded Turntrans-123.9-8.5166.7-70.9-175.7-78.600114.1K156 D183 T187 Q189K156-Q185 VanDerWaalsContact NZ-CD 3.25Å; K156-Q185 VanDerWaalsContact NZ-OE1 3.1Å; D183-Q185 PolarHBondContact O-N 2.89Å; Q185-T187 VanDerWaalsContact C-N 3.26Å; Q185-T187 PolarHBondContact O-N 2.92Å; Q185-Q189 WeakPolarHBondContact O-CB 3.06Å; Q185-Q189 WeakPolarHBondContact O-CG 3.45Å
186I53.5Low67.3Low75 Ų7568.5 Ų68.539%0.38536%0.364SS..THydrogen-bonded Turntrans-66.5-28.9-178.5-59.6-174.3000111.3E110 D183 N188 L194E110-I186 VanDerWaalsContact OE1-CD1 3.29Å; E110-I186 WeakPolarHBondContact OE1-CD1 2.98Å; D183-I186 HydrophobicContact CB-CD1 3.87Å; D183-I186 HydrophobicContact CB-CG1 4.3Å; D183-I186 WeakPolarHBondContact O-CG1 3.33Å; D183-I186 PolarHBondContact O-N 3.32Å; I186-N188 VanDerWaalsContact C-N 3.32Å; I186-N188 PolarHBondContact O-N 2.87Å; I186-L194 HydrophobicContact CD1-CD1 4Å; I186-L194 HydrophobicContact CG1-CD1 4.09Å
187T46.7Very low67.4Low118 Ų11867.6 Ų67.672%0.72436%0.36SS*.THydrogen-bonded Turntrans-71.8-14.1-171.5-8.90000116Q185Q185-T187 VanDerWaalsContact C-N 3.26Å; Q185-T187 PolarHBondContact O-N 2.92Å
188N45.1Very low67.5Low163 Ų16364.5 Ų64.587%0.87234%0.343SS*.THydrogen-bonded Turntrans-145.511.8-176.1-82.9-57.7000114.1I186I186-N188 VanDerWaalsContact C-N 3.32Å; I186-N188 PolarHBondContact O-N 2.87Å
189Q45.7Very low67.7Low89 Ų8964 Ų6442%0.41634%0.34SS..SBendtrans-116.6145.2175.7-62.4-169.3-12.300110.4Q185 T193Q185-Q189 WeakPolarHBondContact O-CB 3.06Å; Q185-Q189 WeakPolarHBondContact O-CG 3.45Å; Q189-T193 HydrophobicContact CB-CG2 4.16Å; Q189-T193 WeakPolarHBondContact CB-OG1 3.31Å; Q189-T193 PolarHBondContact OE1-OG1 2.9Å
190S44.8Very low67.9Low80 Ų8061.1 Ų61.156%0.55933%0.327SS*.  trans-65.3152.7177.444.20000111.5S192 T193S190-S192 PolarHBondContact O-N 3.46Å; S190-S192 PolarHBondContact OG-OG 3.37Å; S190-S192 VanDerWaalsContact OG-OG 3.05Å; S190-T193 PolarHBondContact O-N 2.72Å; S190-T193 PolarHBondContact O-OG1 3.07Å
191E50Low68.1Low156 Ų15660.8 Ų60.873%0.72933%0.325SS*.THydrogen-bonded Turntrans-58.7-0-179.4-64.6-175.4126.500114.8K104K104-E191 PolarHBondContact NZ-O 3.5Å
192S43.9Very low68.4Low69 Ų6960.5 Ų60.548%0.48332%0.324SS..THydrogen-bonded Turntrans-79.2-24.1170.955.20000114.3R138 S190R138-S192 PolarHBondContact NH1-O 3.25Å; S190-S192 PolarHBondContact O-N 3.46Å; S190-S192 PolarHBondContact OG-OG 3.37Å; S190-S192 VanDerWaalsContact OG-OG 3.05Å
193T54.4Low68.7Low67 Ų6759.7 Ų59.741%0.41132%0.319SS..SBendtrans-85.4-10.9-176.369.60000114.3Q189 S190 S195Q189-T193 HydrophobicContact CB-CG2 4.16Å; Q189-T193 WeakPolarHBondContact CB-OG1 3.31Å; Q189-T193 PolarHBondContact OE1-OG1 2.9Å; S190-T193 PolarHBondContact O-N 2.72Å; S190-T193 PolarHBondContact O-OG1 3.07Å; T193-S195 PolarHBondContact O-N 2.89Å
194L64.1Low69.5Low49 Ų4958.6 Ų58.626%0.25731%0.314SS..  trans-63.8106.4173.3-143.674.1000109.2V102 K104 I186V102-L194 HydrophobicContact CB-CD2 4.4Å; V102-L194 HydrophobicContact CB-CG 4.29Å; V102-L194 HydrophobicContact CG1-CD1 4.23Å; V102-L194 HydrophobicContact CG1-CD2 3.55Å; V102-L194 HydrophobicContact CG1-CG 3.68Å; K104-L194 HydrophobicContact CG-CD2 4.38Å; I186-L194 HydrophobicContact CD1-CD1 4Å; I186-L194 HydrophobicContact CG1-CD1 4.09Å
195S74.4Confident70.9Confident14 Ų1451.7 Ų51.710%0.09828%0.282CS..  trans-121.7156.3175.284.90000110.5V102 S136 T193V102-S195 WeakPolarHBondContact CG2-O 3.37Å; S136-S195 WeakPolarHBondContact CB-OG 3.42Å; T193-S195 PolarHBondContact O-N 2.89Å
196D84.5Confident72.4Confident49 Ų4949.2 Ų49.226%0.26227%0.271SS..  trans-62.2158.7164.3-58-10.6000110.2H99 V100 R101 V102 D137H99-D196 WeakPolarHBondContact CE1-CB 3.4Å; H99-D196 IonicContact CE1-OD2 3.52Å; H99-D196 PolarHBondContact CE1-OD2 3.47Å; H99-D196 WeakPolarHBondContact NE2-CB 3.42Å; V100-D196 VanDerWaalsContact O-CA 3.28Å; V100-D196 WeakPolarHBondContact O-CA 3.34Å; V100-D196 WeakPolarHBondContact O-CB 3.24Å; R101-D196 WeakPolarHBondContact CA-OD1 3.19Å; V102-D196 PolarHBondContact N-OD1 3.35Å; D137-D196 PolarHBondContact N-O 3.41Å; D137-D196 VanDerWaalsContact N-O 3.11Å
197Y88.5Confident73.8Confident17 Ų1747.2 Ų47.27%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-154156.5-176.861.9-91.5000113.4V100 V102 R134 H135 L199V100-Y197 HydrophobicContact CB-CD1 4.28Å; V100-Y197 HydrophobicContact CB-CD2 4.01Å; V100-Y197 HydrophobicContact CB-CE1 4.07Å; V100-Y197 HydrophobicContact CB-CE2 3.78Å; V100-Y197 HydrophobicContact CB-CG 4.26Å; V100-Y197 WeakPolarHBondContact CB-O 3.48Å; V100-Y197 HydrophobicContact CG1-CE1 3.87Å; V100-Y197 HydrophobicContact CG1-CE2 4.07Å; V100-Y197 HydrophobicContact CG2-CD2 4.03Å; V100-Y197 HydrophobicContact CG2-CE2 3.67Å; V100-Y197 PolarHBondContact N-O 2.91Å; V100-Y197 PolarHBondContact O-N 2.82Å; V100-Y197 VanDerWaalsContact O-N 3.14Å; V102-Y197 HydrophobicContact CG2-CD1 3.9Å; V102-Y197 HydrophobicContact CG2-CE1 3.68Å; R134-Y197 HydrophobicContact CG-CD2 3.68Å; R134-Y197 HydrophobicContact CG-CE2 4.4Å; R134-Y197 HydrophobicContact CG-CG 3.83Å; H135-Y197 CarbonylContact O-C 3.58Å; H135-Y197 WeakPolarHBondContact O-CA 3.45Å; H135-Y197 WeakPolarHBondContact O-CB 3.37Å; Y197-L199 HydrophobicContact CD2-CD2 3.87Å; Y197-L199 HydrophobicContact CD2-CG 4.29Å; Y197-L199 HydrophobicContact CE2-CD2 3.81Å; Y197-L199 HydrophobicContact CE2-CG 4.11Å
198K91.9Very high75.2Confident39 Ų3943.4 Ų43.417%0.1725%0.249CC..EExtended strand (participates in β ladder)trans-106.6149.9160.6-64.5-173.5178.6-173.80109.1W96 H135 E813W96-K198 HydrophobicContact CE3-CB 4.26Å; W96-K198 HydrophobicContact CE3-CD 4.38Å; H135-K198 PolarHBondContact N-O 3.4Å; H135-K198 PolarHBondContact O-N 3.09Å; K198-E813 PolarHBondContact NZ-O 3.33Å
199L93Very high76.8Confident0 Ų039.6 Ų39.60%022%0.223CC..EExtended strand (participates in β ladder)trans-95.4149.2166.7-63.2-172.8000109.9L32 W44 W96 S97 L114 M133 R134 I158 L182 Y197L32-L199 HydrophobicContact CD1-CD1 3.81Å; L32-L199 HydrophobicContact CD2-CB 4.38Å; L32-L199 HydrophobicContact CD2-CD1 3.82Å; L32-L199 HydrophobicContact CD2-CG 4.01Å; L32-L199 HydrophobicContact CG-CD1 4.43Å; W44-L199 HydrophobicContact CH2-CB 4.15Å; W44-L199 HydrophobicContact CZ3-CB 4.47Å; W96-L199 CarbonylContact C-O 3.55Å; W96-L199 WeakPolarHBondContact CA-O 3.24Å; S97-L199 PolarHBondContact N-O 3.29Å; S97-L199 PolarHBondContact OG-N 3.17Å; L114-L199 HydrophobicContact CD2-CD1 3.71Å; M133-L199 WeakPolarHBondContact O-CA 3.31Å; R134-L199 HydrophobicContact CB-CD2 4.09Å; R134-L199 HydrophobicContact CG-CD2 4.04Å; I158-L199 HydrophobicContact CD1-CD2 4.04Å; L182-L199 HydrophobicContact CD2-CD1 4.47Å; L182-L199 HydrophobicContact CD2-CD2 4.41Å; Y197-L199 HydrophobicContact CD2-CD2 3.87Å; Y197-L199 HydrophobicContact CD2-CG 4.29Å; Y197-L199 HydrophobicContact CE2-CD2 3.81Å; Y197-L199 HydrophobicContact CE2-CG 4.11Å
200I94.3Very high78.2Confident0 Ų037.2 Ų37.20%022%0.215CC..EExtended strand (participates in β ladder)trans-123.7122.3175.6-45.5171.4000107.9R94 L95 W96 I132 M133 H135 N155R94-I200 HydrophobicContact CB-CG2 3.91Å; R94-I200 HydrophobicContact CG-CG2 4.08Å; L95-I200 CarbonylContact O-C 3.54Å; L95-I200 WeakPolarHBondContact O-CA 3.3Å; W96-I200 HydrophobicContact CD2-CD1 4.37Å; W96-I200 HydrophobicContact CD2-CG1 3.99Å; W96-I200 HydrophobicContact CE3-CD1 4.05Å; W96-I200 HydrophobicContact CE3-CG1 3.7Å; W96-I200 HydrophobicContact CH2-CD1 3.44Å; W96-I200 VanDerWaalsContact CH2-CD1 3.44Å; W96-I200 HydrophobicContact CH2-CG1 4.06Å; W96-I200 HydrophobicContact CZ2-CD1 3.78Å; W96-I200 HydrophobicContact CZ2-CG1 4.31Å; W96-I200 HydrophobicContact CZ3-CD1 3.59Å; W96-I200 HydrophobicContact CZ3-CG1 3.75Å; I132-I200 WeakPolarHBondContact CA-O 3.5Å; M133-I200 HydrophobicContact CB-CB 4.28Å; M133-I200 HydrophobicContact CB-CD1 4.48Å; M133-I200 HydrophobicContact CE-CB 4.31Å; M133-I200 HydrophobicContact CE-CG2 4.12Å; M133-I200 PolarHBondContact N-O 2.72Å; M133-I200 PolarHBondContact O-N 3.06Å; H135-I200 HydrophobicContact CB-CD1 4.21Å; H135-I200 HydrophobicContact CB-CG1 4.49Å; N155-I200 HydrophobicContact CB-CD1 4.37Å; N155-I200 VanDerWaalsContact ND2-CD1 3.3Å; N155-I200 WeakPolarHBondContact ND2-CD1 3.37Å
201L95.1Very high79.6Confident2 Ų239.9 Ų39.91%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-94.9111.8167.6-177.971.1000107.9W44 W55 L68 R94 L95 L130 I132 V216W44-L201 HydrophobicContact CZ3-CB 4.24Å; W55-L201 HydrophobicContact CH2-CD2 4.05Å; W55-L201 HydrophobicContact CH2-CG 4.29Å; W55-L201 HydrophobicContact CZ2-CD2 4.03Å; W55-L201 HydrophobicContact CZ2-CG 3.96Å; L68-L201 HydrophobicContact CD2-CD2 4.49Å; R94-L201 CarbonylContact C-O 3.53Å; R94-L201 WeakPolarHBondContact CA-O 3.25Å; L95-L201 HydrophobicContact CB-CB 4.31Å; L95-L201 HydrophobicContact CD2-CD2 4.34Å; L95-L201 PolarHBondContact N-O 2.74Å; L95-L201 PolarHBondContact O-N 2.78Å; L130-L201 HydrophobicContact CD1-CD1 3.69Å; L130-L201 HydrophobicContact CD1-CG 4.21Å; L130-L201 HydrophobicContact CG-CD1 4.23Å; I132-L201 HydrophobicContact CD1-CD1 3.87Å; I132-L201 HydrophobicContact CG1-CD1 3.65Å; L201-V216 HydrophobicContact CD2-CB 4.36Å; L201-V216 HydrophobicContact CD2-CG1 4.23Å; L201-V216 HydrophobicContact CD2-CG2 4.2Å
202E94.7Very high80.9Confident29 Ų2932.5 Ų32.514%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-107.8124177.2-179.5-162.8-13300109.4R94 R129 T131 M133R94-E202 HydrophobicContact CG-CB 4.16Å; R94-E202 HydrophobicContact CG-CG 4.11Å; R129-E202 IonicContact CZ-OE2 2.68Å; R129-E202 IonicContact NE-OE2 3.4Å; R129-E202 IonicContact NH2-OE1 3.52Å; R129-E202 PolarHBondContact NH2-OE1 3.24Å; R129-E202 IonicContact NH2-OE2 2.76Å; R129-E202 PolarHBondContact NH2-OE2 3.07Å; T131-E202 WeakPolarHBondContact CB-OE2 3.23Å; T131-E202 PolarHBondContact N-O 2.81Å; T131-E202 PolarHBondContact O-N 2.87Å; T131-E202 PolarHBondContact OG1-O 3.11Å; T131-E202 PolarHBondContact OG1-OE2 3.2Å; M133-E202 HydrophobicContact CE-CB 3.65Å; M133-E202 HydrophobicContact CE-CG 4.34Å
203G93Very high82.8Confident0 Ų035 Ų350%019%0.188CC..EExtended strand (participates in β ladder)trans-113.4141170.800000110.9S92 A93 R129S92-G203 CarbonylContact C-O 3.51Å; S92-G203 WeakPolarHBondContact CA-O 3.03Å; S92-G203 VanDerWaalsContact CB-O 3.29Å; S92-G203 WeakPolarHBondContact CB-O 3.33Å; A93-G203 PolarHBondContact N-O 3.01Å; A93-G203 PolarHBondContact O-N 2.77Å; R129-G203 CarbonylContact O-C 3.58Å
204T90.8Very high84.5Confident12 Ų1231.8 Ų31.87%0.07417%0.168CC..EExtended strand (participates in β ladder)trans-123.6115.8179.4-510000110.9N90 I91 S128 R129N90-T204 HydrophobicContact CB-CG2 3.92Å; I91-T204 CarbonylContact O-C 3.51Å; I91-T204 WeakPolarHBondContact O-CA 3.45Å; S128-T204 WeakPolarHBondContact CA-O 3.34Å; R129-T204 PolarHBondContact N-O 3.4Å; R129-T204 PolarHBondContact O-N 3.03Å
205I87.8Confident85.9Confident2 Ų229.9 Ų29.91%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-81127.1167.2-72.1167.5000108.2L70 P72 N90 I91 Y209 A212L70-I205 HydrophobicContact CD2-CD1 4.15Å; L70-I205 HydrophobicContact CD2-CG1 3.77Å; L70-I205 HydrophobicContact CG-CD1 3.96Å; L70-I205 HydrophobicContact CG-CG1 4.15Å; P72-I205 HydrophobicContact CG-CD1 4.09Å; N90-I205 WeakPolarHBondContact CA-O 3.32Å; I91-I205 HydrophobicContact CD1-CB 4.31Å; I91-I205 HydrophobicContact CD1-CD1 4.3Å; I91-I205 HydrophobicContact CD1-CG2 4.24Å; I91-I205 HydrophobicContact CG1-CB 3.69Å; I91-I205 HydrophobicContact CG1-CD1 4.39Å; I91-I205 HydrophobicContact CG1-CG2 3.97Å; I91-I205 PolarHBondContact N-O 3.13Å; I91-I205 PolarHBondContact O-N 3.4Å; I205-Y209 WeakPolarHBondContact CG2-O 3.21Å; I205-A212 HydrophobicContact CG1-CB 4.5Å; I205-A212 HydrophobicContact CG2-CB 4.29Å
206P85.2Confident86.8Confident4 Ų429.2 Ų29.23%0.02615%0.154CC..PPolyproline II helixtrans-82.4149.6-177.732-33.1000112.9N90 K127 G208 Y209N90-P206 WeakPolarHBondContact OD1-CA 3.38Å; K127-P206 HydrophobicContact CB-CB 3.54Å; K127-P206 HydrophobicContact CB-CG 3.67Å; P206-G208 PolarHBondContact O-N 2.82Å; P206-Y209 HydrophobicContact CB-CD2 4.5Å; P206-Y209 HydrophobicContact CG-CD2 4.07Å; P206-Y209 HydrophobicContact CG-CG 4.45Å; P206-Y209 PolarHBondContact O-N 3.48Å; P206-Y209 VanDerWaalsContact O-N 3.13Å
207A81.6Confident87.2Confident33 Ų3327.8 Ų27.827%0.27315%0.147SC..THydrogen-bonded Turntrans-49131.817600000112.4F87 E88 N90 Y209F87-A207 CarbonylContact O-C 3.51Å; F87-A207 WeakPolarHBondContact O-CA 3.47Å; F87-A207 WeakPolarHBondContact O-CB 3.4Å; E88-A207 WeakPolarHBondContact O-CB 3.42Å; N90-A207 PolarHBondContact OD1-N 3.07Å; A207-Y209 VanDerWaalsContact O-CD2 3.24Å; A207-Y209 WeakPolarHBondContact O-CD2 3.45Å
208G77.4Confident87.4Confident37 Ų3729.7 Ų29.738%0.38116%0.158SC..THydrogen-bonded Turntrans80.22-179.300000116.5F87 P206F87-G208 PolarHBondContact O-N 2.85Å; P206-G208 PolarHBondContact O-N 2.82Å
209Y78.5Confident87.4Confident84 Ų8428.1 Ų28.133%0.32915%0.151SC..  trans-128.867.6178.2-54.8-97.6000112.3T124 K127 I205 P206 A207 D211 A212T124-Y209 HydrophobicContact CG2-CD1 3.82Å; T124-Y209 HydrophobicContact CG2-CG 4.04Å; K127-Y209 HydrophobicContact CD-CD2 4.32Å; K127-Y209 HydrophobicContact CD-CE2 3.62Å; K127-Y209 PolarHBondContact NZ-OH 3.48Å; I205-Y209 WeakPolarHBondContact CG2-O 3.21Å; P206-Y209 HydrophobicContact CB-CD2 4.5Å; P206-Y209 HydrophobicContact CG-CD2 4.07Å; P206-Y209 HydrophobicContact CG-CG 4.45Å; P206-Y209 PolarHBondContact O-N 3.48Å; P206-Y209 VanDerWaalsContact O-N 3.13Å; A207-Y209 VanDerWaalsContact O-CD2 3.24Å; A207-Y209 WeakPolarHBondContact O-CD2 3.45Å; Y209-D211 PolarHBondContact O-N 3.35Å; Y209-D211 VanDerWaalsContact O-N 3.16Å; Y209-A212 WeakPolarHBondContact O-CB 3.16Å; Y209-A212 PolarHBondContact O-N 2.93Å
210P74.7Confident87.4Confident38 Ų3829.1 Ų29.125%0.24716%0.158CC..THydrogen-bonded Turntrans-58.7-26.9177.825.1-34.4000113.4P72 F87 A212P72-P210 HydrophobicContact CG-CB 4.22Å; P72-P210 WeakPolarHBondContact CG-O 3.19Å; F87-P210 HydrophobicContact CD2-CB 4.19Å; F87-P210 HydrophobicContact CE2-CB 4.15Å; P210-A212 PolarHBondContact O-N 3.36Å
211D74.9Confident87.2Confident137 Ų13729.7 Ų29.773%0.73316%0.161SC*.THydrogen-bonded Turntrans-74.32.9176.6-56.7-55.5000114.7Y209 R213Y209-D211 PolarHBondContact O-N 3.35Å; Y209-D211 VanDerWaalsContact O-N 3.16Å; D211-R213 VanDerWaalsContact C-N 3.25Å; D211-R213 PolarHBondContact O-N 3.33Å
212A77Confident86.9Confident1 Ų133.1 Ų33.11%0.00818%0.175CC..  trans-73.866.6-17500000113.5T124 I205 Y209 P210 I214T124-A212 HydrophobicContact CG2-CB 3.78Å; I205-A212 HydrophobicContact CG1-CB 4.5Å; I205-A212 HydrophobicContact CG2-CB 4.29Å; Y209-A212 WeakPolarHBondContact O-CB 3.16Å; Y209-A212 PolarHBondContact O-N 2.93Å; P210-A212 PolarHBondContact O-N 3.36Å; A212-I214 PolarHBondContact O-N 3.17Å
213R83.2Confident86.5Confident121 Ų12135 Ų3546%0.45719%0.188SC..  trans-67.298.5178.3-62.9-179.6-173.4-131.1-3.4111.4P121 D211P121-R213 WeakPolarHBondContact CD-O 3.23Å; D211-R213 VanDerWaalsContact C-N 3.25Å; D211-R213 PolarHBondContact O-N 3.33Å
214I90.4Very high86.1Confident0 Ų040.1 Ų40.10%021%0.212CC..  trans-78.1126.8163.3-57.7174.9000106.9W55 C69 L70 F119 I120 R129 L130 A212W55-I214 HydrophobicContact CH2-CG2 4.42Å; C69-I214 CarbonylContact C-O 3.52Å; C69-I214 WeakPolarHBondContact CA-O 3.28Å; L70-I214 HydrophobicContact CB-CB 4.27Å; L70-I214 HydrophobicContact CD2-CD1 4.13Å; L70-I214 PolarHBondContact N-O 2.93Å; F119-I214 WeakPolarHBondContact O-CA 3.31Å; I120-I214 HydrophobicContact CG1-CG1 4.32Å; I120-I214 HydrophobicContact CG1-CG2 4.14Å; I120-I214 HydrophobicContact CG2-CG1 4.49Å; R129-I214 WeakPolarHBondContact O-CD1 3.22Å; L130-I214 HydrophobicContact CB-CG2 4.32Å; L130-I214 HydrophobicContact CD1-CG2 4.05Å; L130-I214 HydrophobicContact CD2-CG2 4.23Å; L130-I214 HydrophobicContact CG-CG2 4.44Å; A212-I214 PolarHBondContact O-N 3.17Å
215C92.8Very high85.9Confident9 Ų942 Ų426%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-123.4149.2175.6-54.30000111.5L68 C69 Y118 F119 W175L68-C215 CarbonylContact O-C 3.44Å; L68-C215 VanDerWaalsContact O-CA 3.3Å; L68-C215 WeakPolarHBondContact O-CA 3.35Å; C69-C215 HydrophobicContact CB-CB 4.11Å; C69-C215 WeakPolarHBondContact CB-SG 3.34Å; C69-C215 WeakPolarHBondContact SG-CB 3.41Å; C69-C215 CovalentContact SG-SG 2.05Å; C69-C215 PolarHBondContact SG-SG 2.85Å; Y118-C215 CarbonylContact C-O 3.55Å; Y118-C215 VanDerWaalsContact CA-O 3.25Å; Y118-C215 WeakPolarHBondContact CA-O 3.44Å; F119-C215 HydrophobicContact CB-CB 4.41Å; F119-C215 PolarHBondContact N-O 2.93Å; F119-C215 PolarHBondContact O-N 3.45Å; W175-C215 HydrophobicContact CH2-CB 3.71Å; W175-C215 HydrophobicContact CZ2-CB 4.37Å; W175-C215 HydrophobicContact CZ3-CB 4.48Å
216V94.1Very high85.9Confident0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-135.2138.4-178.3176.70000108.9W55 L68 F116 T117 L130 L201 I219W55-V216 HydrophobicContact CH2-CG2 4.2Å; W55-V216 HydrophobicContact CZ3-CG2 4.3Å; L68-V216 PolarHBondContact N-O 3.12Å; L68-V216 PolarHBondContact O-N 2.94Å; F116-V216 HydrophobicContact CB-CG1 4.45Å; F116-V216 HydrophobicContact CD2-CG1 4.04Å; T117-V216 WeakPolarHBondContact O-CA 3.36Å; L130-V216 HydrophobicContact CD1-CG2 4.22Å; L130-V216 HydrophobicContact CD2-CG2 3.65Å; L201-V216 HydrophobicContact CD2-CB 4.36Å; L201-V216 HydrophobicContact CD2-CG1 4.23Å; L201-V216 HydrophobicContact CD2-CG2 4.2Å; V216-I219 HydrophobicContact CG1-CD1 3.99Å; V216-I219 HydrophobicContact CG1-CG1 3.99Å
217D92.9Very high85.9Confident19 Ų1946.2 Ų46.210%0.10225%0.254CS..EExtended strand (participates in β ladder)trans-146.1165-177.5-170.715000110.7A67 T117 W175 I219A67-D217 HydrophobicContact CB-CB 3.91Å; T117-D217 PolarHBondContact N-O 3.37Å; T117-D217 PolarHBondContact O-N 3.25Å; T117-D217 PolarHBondContact OG1-O 3.41Å; W175-D217 HydrophobicContact CH2-CB 4.14Å; W175-D217 HydrophobicContact CZ3-CB 3.86Å; D217-I219 VanDerWaalsContact C-N 3.32Å; D217-I219 PolarHBondContact O-N 3.14Å
218N91.6Very high85.8Confident57 Ų5746.6 Ų46.631%0.30526%0.257SS..EExtended strand (participates in β ladder)trans48.747172.5-166.623.9000114.2T117 T220T117-N218 HydrophobicContact CG2-CB 4.44Å; N218-T220 PolarHBondContact O-N 3.22Å; N218-T220 VanDerWaalsContact O-N 3.12Å; N218-T220 PolarHBondContact O-OG1 2.88Å; N218-T220 VanDerWaalsContact OD1-CG2 3.29Å; N218-T220 WeakPolarHBondContact OD1-CG2 3.37Å
219I93.2Very high85.8Confident5 Ų546 Ų463%0.02625%0.245CC..EExtended strand (participates in β ladder)trans-64.9114.7172.4-51.7-171.9000107.6L32 N33 C34 Y36 W44 L114 Q115 F116 V216 D217L32-I219 VanDerWaalsContact O-CG2 3.24Å; L32-I219 WeakPolarHBondContact O-CG2 3.42Å; N33-I219 CarbonylContact C-O 3.6Å; N33-I219 VanDerWaalsContact CA-O 3.3Å; N33-I219 WeakPolarHBondContact CA-O 3.24Å; C34-I219 PolarHBondContact N-O 2.76Å; C34-I219 PolarHBondContact O-N 2.79Å; Y36-I219 HydrophobicContact CE2-CG1 4.47Å; Y36-I219 WeakPolarHBondContact OH-CD1 3.46Å; W44-I219 HydrophobicContact CZ2-CD1 4.07Å; W44-I219 HydrophobicContact CZ2-CG2 4.1Å; L114-I219 HydrophobicContact CD1-CG2 3.7Å; Q115-I219 WeakPolarHBondContact O-CA 3.08Å; F116-I219 HydrophobicContact CB-CB 4.44Å; F116-I219 HydrophobicContact CB-CG1 3.99Å; V216-I219 HydrophobicContact CG1-CD1 3.99Å; V216-I219 HydrophobicContact CG1-CG1 3.99Å; D217-I219 VanDerWaalsContact C-N 3.32Å; D217-I219 PolarHBondContact O-N 3.14Å
220T92.6Very high85.4Confident22 Ų2248 Ų4814%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-138.5133.8-171.332.90000108.7Q115 N218Q115-T220 WeakPolarHBondContact CA-O 3.01Å; Q115-T220 PolarHBondContact N-O 2.7Å; Q115-T220 PolarHBondContact NE2-OG1 2.96Å; Q115-T220 PolarHBondContact O-N 2.74Å; N218-T220 PolarHBondContact O-N 3.22Å; N218-T220 VanDerWaalsContact O-N 3.12Å; N218-T220 PolarHBondContact O-OG1 2.88Å; N218-T220 VanDerWaalsContact OD1-CG2 3.29Å; N218-T220 WeakPolarHBondContact OD1-CG2 3.37Å
221S90.2Very high84.5Confident11 Ų1154.7 Ų54.78%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-133.4146.7-177.371.80000112.4N30 N33 C113N30-S221 VanDerWaalsContact CG-OG 3.24Å; N30-S221 PolarHBondContact ND2-O 2.87Å; N30-S221 PolarHBondContact ND2-OG 3.18Å; N30-S221 PolarHBondContact OD1-OG 2.89Å; N33-S221 PolarHBondContact OD1-N 3.44Å; N33-S221 PolarHBondContact OD1-OG 3.28Å; C113-S221 CarbonylContact O-C 3.56Å; C113-S221 VanDerWaalsContact O-CA 3.27Å; C113-S221 WeakPolarHBondContact O-CA 3.35Å; C113-S221 WeakPolarHBondContact O-CB 3.37Å
222Y88.6Confident83.5Confident74 Ų7451 Ų5129%0.2927%0.271SS..EExtended strand (participates in β ladder)trans-131.9146.5-161.2-56.3-97.6000110R112 C113 Q115 E224 L229R112-Y222 PolarHBondContact N-O 2.89Å; C113-Y222 PolarHBondContact N-O 2.86Å; C113-Y222 VanDerWaalsContact N-O 3.1Å; C113-Y222 PolarHBondContact O-N 2.81Å; Q115-Y222 HydrophobicContact CB-CE2 3.82Å; Y222-E224 VanDerWaalsContact C-N 3.3Å; Y222-L229 HydrophobicContact CD1-CD1 4.09Å; Y222-L229 HydrophobicContact CD1-CD2 3.88Å; Y222-L229 HydrophobicContact CD2-CD1 3.52Å; Y222-L229 HydrophobicContact CE1-CD2 3.93Å; Y222-L229 HydrophobicContact CE2-CD1 4.03Å; Y222-L229 HydrophobicContact CG-CD1 3.57Å; Y222-L229 HydrophobicContact CG-CD2 4.24Å
223T86.6Confident82.2Confident69 Ų6954.3 Ų54.342%0.42330%0.295SS..SBendtrans-78.6-17.9171.251.90000112.3E110 R112E110-T223 VanDerWaalsContact O-CA 3.31Å; E110-T223 WeakPolarHBondContact O-CA 3.45Å; R112-T223 WeakPolarHBondContact CD-O 3.49Å
224E84.6Confident80.3Confident107 Ų10751.2 Ų51.250%0.530%0.295SS..SBendtrans-75.8149171.3-67.1-175.7-162.600112.2C113 Y222C113-E224 VanDerWaalsContact CB-O 3.3Å; C113-E224 WeakPolarHBondContact CB-O 3.46Å; C113-E224 PolarHBondContact N-O 2.96Å; Y222-E224 VanDerWaalsContact C-N 3.3Å
225P85.2Confident77.8Confident51 Ų5157.5 Ų57.533%0.33134%0.336SS..  trans-69.7147.9171.831.5-35.7000111.1S227 A228P225-S227 PolarHBondContact O-N 3.37Å; P225-A228 WeakPolarHBondContact O-CB 3.3Å; P225-A228 PolarHBondContact O-N 3.1Å
226C88.4Confident75.5Confident10 Ų1062.5 Ų62.57%0.06836%0.361CS..Hα-helixtrans-56.6-29.6-177.3-59.80000113.5C113 F179 I180 Q181 A228 L229 E230C113-C226 VanDerWaalsContact CA-SG 3.56Å; C113-C226 HydrophobicContact CB-CB 4.03Å; C113-C226 WeakPolarHBondContact CB-SG 3.45Å; C113-C226 WeakPolarHBondContact SG-CA 3.39Å; C113-C226 WeakPolarHBondContact SG-CB 3.46Å; C113-C226 CovalentContact SG-SG 2.03Å; C113-C226 PolarHBondContact SG-SG 3.44Å; F179-C226 HydrophobicContact CB-CB 4.05Å; I180-C226 PolarHBondContact O-SG 2.97Å; I180-C226 VanDerWaalsContact O-SG 3.38Å; Q181-C226 PolarHBondContact N-SG 3.42Å; Q181-C226 PolarHBondContact OE1-SG 3.07Å; Q181-C226 VanDerWaalsContact OE1-SG 3.37Å; C226-A228 PolarHBondContact O-N 3.05Å; C226-L229 PolarHBondContact O-N 3.4Å; C226-L229 VanDerWaalsContact O-N 3.11Å; C226-E230 WeakPolarHBondContact O-CB 3.32Å; C226-E230 PolarHBondContact O-N 3.01Å
227S84.9Confident72.9Confident85 Ų8568 Ų6859%0.59440%0.397SS*.Hα-helixtrans-65.1-19.2176.8-510000114.4P225P225-S227 PolarHBondContact O-N 3.37Å
228A80.6Confident70.7Confident41 Ų4171.7 Ų71.734%0.33942%0.424SS..Hα-helixtrans-76.8-46.5169.500000110.7P225 C226 K231 A232P225-A228 WeakPolarHBondContact O-CB 3.3Å; P225-A228 PolarHBondContact O-N 3.1Å; C226-A228 PolarHBondContact O-N 3.05Å; A228-K231 PolarHBondContact O-N 2.69Å; A228-A232 PolarHBondContact O-N 2.92Å
229L77.3Confident68.4Low24 Ų2477.1 Ų77.113%0.12645%0.448CS..Hα-helixtrans-65.6-43.5-179.9-63.9164.8000112.3C113 F179 Y222 C226 K231 A232 S233C113-L229 HydrophobicContact CB-CD1 3.83Å; F179-L229 HydrophobicContact CD1-CB 4.31Å; F179-L229 HydrophobicContact CE1-CB 3.92Å; Y222-L229 HydrophobicContact CD1-CD1 4.09Å; Y222-L229 HydrophobicContact CD1-CD2 3.88Å; Y222-L229 HydrophobicContact CD2-CD1 3.52Å; Y222-L229 HydrophobicContact CE1-CD2 3.93Å; Y222-L229 HydrophobicContact CE2-CD1 4.03Å; Y222-L229 HydrophobicContact CG-CD1 3.57Å; Y222-L229 HydrophobicContact CG-CD2 4.24Å; C226-L229 PolarHBondContact O-N 3.4Å; C226-L229 VanDerWaalsContact O-N 3.11Å; L229-K231 VanDerWaalsContact C-N 3.26Å; L229-K231 PolarHBondContact O-N 3.01Å; L229-A232 CarbonylContact O-C 3.59Å; L229-A232 WeakPolarHBondContact O-CA 3.43Å; L229-A232 WeakPolarHBondContact O-CB 3Å; L229-A232 PolarHBondContact O-N 3.14Å; L229-S233 WeakPolarHBondContact O-CB 3.15Å; L229-S233 PolarHBondContact O-N 3.21Å
230E69.8Low66.5Low127 Ų12784.2 Ų84.259%0.59347%0.474SS*.Hα-helixtrans-55.5-44.1176.1-174.6-179.2-176.300110.8C226 A232 S233 A234C226-E230 WeakPolarHBondContact O-CB 3.32Å; C226-E230 PolarHBondContact O-N 3.01Å; E230-A232 VanDerWaalsContact C-N 3.3Å; E230-A232 PolarHBondContact O-N 2.95Å; E230-S233 WeakPolarHBondContact CA-OG 3.37Å; E230-S233 PolarHBondContact O-N 2.76Å; E230-S233 PolarHBondContact O-OG 2.78Å; E230-A234 PolarHBondContact O-N 3.2Å
231K56.3Low65.2Low179 Ų17985.3 Ų85.378%0.77848%0.483SS*.Hα-helixtrans-69.6-24.9178.4-166.5173.8-178.9-179.60113.5A228 L229A228-K231 PolarHBondContact O-N 2.69Å; L229-K231 VanDerWaalsContact C-N 3.26Å; L229-K231 PolarHBondContact O-N 3.01Å
232A53.8Low64.2Low59 Ų5994.2 Ų94.249%0.48852%0.515SS..Hα-helixtrans-83.3-20.2169.600000113.2A228 L229 E230A228-A232 PolarHBondContact O-N 2.92Å; L229-A232 CarbonylContact O-C 3.59Å; L229-A232 WeakPolarHBondContact O-CA 3.43Å; L229-A232 WeakPolarHBondContact O-CB 3Å; L229-A232 PolarHBondContact O-N 3.14Å; E230-A232 VanDerWaalsContact C-N 3.3Å; E230-A232 PolarHBondContact O-N 2.95Å
233S49.8Very low63.3Low71 Ų7193 Ų9350%0.49752%0.52SS..Hα-helixtrans-86.3-15.1-178.679.90000114.5L229 E230L229-S233 WeakPolarHBondContact O-CB 3.15Å; L229-S233 PolarHBondContact O-N 3.21Å; E230-S233 WeakPolarHBondContact CA-OG 3.37Å; E230-S233 PolarHBondContact O-N 2.76Å; E230-S233 PolarHBondContact O-OG 2.78Å
234A42.5Very low62.4Low56 Ų5693.8 Ų93.846%0.46352%0.519SS..SBendtrans-51.9143.8160.100000109.2E230 L236E230-A234 PolarHBondContact O-N 3.2Å; A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.41Å
235P39.1Very low61.9Low132 Ų13296 Ų9686%0.85752%0.524SS*.  trans-6985-170.527.6-35.6000112.1
236L43.6Very low61.6Low113 Ų113100.2 Ų100.259%0.59254%0.537SS*.  trans-51138.6157.7-69.2168.1000107.9A234 S238A234-L236 VanDerWaalsContact C-N 3.3Å; A234-L236 PolarHBondContact O-N 3.41Å; L236-S238 PolarHBondContact O-N 2.84Å
237P39.7Very low61.4Low117 Ų117101.3 Ų101.376%0.7655%0.551SS**  trans-73.364.3172.131.3-34.9000109.9Q239P237-Q239 PolarHBondContact O-N 3.06Å; P237-Q239 VanDerWaalsContact O-N 3.12Å
238S46.7Very low61.3Low95 Ų95102.7 Ų102.766%0.66455%0.551SS**  trans-78.814.8-172.557.40000114.2L236 W240L236-S238 PolarHBondContact O-N 2.84Å; S238-W240 PolarHBondContact O-N 3.39Å
239Q42.5Very low61.4Low172 Ų172104.8 Ų104.880%0.80456%0.559SS**  trans-72.576.9148.761.2165.923.700109.7P237 S241P237-Q239 PolarHBondContact O-N 3.06Å; P237-Q239 VanDerWaalsContact O-N 3.12Å; Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 3.12Å
240W54.3Low61.8Low153 Ų153110.3 Ų110.358%0.5858%0.583SS**  trans-60.6101.4151.6-77.188.9000106.2S238 Q244 Y245 L248S238-W240 PolarHBondContact O-N 3.39Å; W240-Q244 HydrophobicContact CE3-CB 3.87Å; W240-Q244 HydrophobicContact CE3-CG 4.39Å; W240-Q244 HydrophobicContact CZ3-CB 4.4Å; W240-Y245 HydrophobicContact CB-CD2 4.22Å; W240-Y245 HydrophobicContact CB-CE2 3.86Å; W240-L248 HydrophobicContact CZ3-CD1 4.39Å
241S64.7Low62.8Low46 Ų46108 Ų10832%0.32258%0.577SS.*  trans-57.3146.6-17863.70000109.2Q239 A243 Q244 Y245Q239-S241 VanDerWaalsContact C-N 3.26Å; Q239-S241 PolarHBondContact O-N 3.12Å; S241-A243 PolarHBondContact O-N 2.87Å; S241-Q244 WeakPolarHBondContact O-CB 3.1Å; S241-Q244 PolarHBondContact O-N 2.87Å; S241-Q244 PolarHBondContact OG-OE1 2.7Å; S241-Y245 PolarHBondContact O-N 3.17Å
242W69.3Low64.3Low198 Ų198100.8 Ų100.875%0.7555%0.554SS**Hα-helixtrans-49.2-37.4176.151.2-90.9000111.3Q244 Y245 F246W242-Q244 VanDerWaalsContact C-N 3.32Å; W242-Q244 PolarHBondContact O-N 3.49Å; W242-Y245 WeakPolarHBondContact O-CB 3.46Å; W242-Y245 PolarHBondContact O-N 2.83Å; W242-Y245 VanDerWaalsContact O-N 3.14Å; W242-F246 HydrophobicContact CB-CE2 4.48Å; W242-F246 AromaticContact CE3-CD2 3.83Å; W242-F246 HydrophobicContact CE3-CD2 3.83Å; W242-F246 HydrophobicContact CE3-CE2 4.01Å; W242-F246 WeakPolarHBondContact O-CD2 3.1Å; W242-F246 PolarHBondContact O-N 2.95Å
243A70.5Confident65.9Low48 Ų48100.8 Ų100.840%0.39755%0.554SS.*Hα-helixtrans-59.3-31.9174.900000114.6S241 G247S241-A243 PolarHBondContact O-N 2.87Å; A243-G247 PolarHBondContact O-N 3.38Å
244Q67.8Low67.8Low86 Ų86101.8 Ų101.840%0.40255%0.553SS.*Hα-helixtrans-74.3-35.8174.1-70.8167.4-62.900112.1W240 S241 W242 G247 L248W240-Q244 HydrophobicContact CE3-CB 3.87Å; W240-Q244 HydrophobicContact CE3-CG 4.39Å; W240-Q244 HydrophobicContact CZ3-CB 4.4Å; S241-Q244 WeakPolarHBondContact O-CB 3.1Å; S241-Q244 PolarHBondContact O-N 2.87Å; S241-Q244 PolarHBondContact OG-OE1 2.7Å; W242-Q244 VanDerWaalsContact C-N 3.32Å; W242-Q244 PolarHBondContact O-N 3.49Å; Q244-G247 PolarHBondContact O-N 2.95Å; Q244-L248 WeakPolarHBondContact O-CB 3.41Å; Q244-L248 PolarHBondContact O-N 2.8Å
245Y73.4Confident70.1Confident154 Ų154103.8 Ų103.860%0.60456%0.555SS**Hα-helixtrans-64.5-42.3170.2-90.5-82.4000111.6W240 S241 W242 T249W240-Y245 HydrophobicContact CB-CD2 4.22Å; W240-Y245 HydrophobicContact CB-CE2 3.86Å; S241-Y245 PolarHBondContact O-N 3.17Å; W242-Y245 WeakPolarHBondContact O-CB 3.46Å; W242-Y245 PolarHBondContact O-N 2.83Å; W242-Y245 VanDerWaalsContact O-N 3.14Å; Y245-T249 WeakPolarHBondContact O-CB 3.47Å; Y245-T249 WeakPolarHBondContact O-CG2 3.38Å; Y245-T249 PolarHBondContact O-N 2.84Å; Y245-T249 PolarHBondContact O-OG1 2.93Å
246F77.7Confident72.4Confident138 Ų138102.5 Ų102.561%0.60554%0.54SS*.Hα-helixtrans-63.9-39.3171.7-76.4-69.7000112.2W242 T249 F250W242-F246 HydrophobicContact CB-CE2 4.48Å; W242-F246 AromaticContact CE3-CD2 3.83Å; W242-F246 HydrophobicContact CE3-CD2 3.83Å; W242-F246 HydrophobicContact CE3-CE2 4.01Å; W242-F246 WeakPolarHBondContact O-CD2 3.1Å; W242-F246 PolarHBondContact O-N 2.95Å; F246-T249 WeakPolarHBondContact CA-OG1 3.32Å; F246-T249 PolarHBondContact O-OG1 2.97Å; F246-F250 WeakPolarHBondContact O-CB 3.29Å; F246-F250 PolarHBondContact O-N 2.83Å
247G84.2Confident74.5Confident34 Ų3499.3 Ų99.335%0.35154%0.535SS..Hα-helixtrans-61.2-50.8175.500000112.9A243 Q244 F250 V251A243-G247 PolarHBondContact O-N 3.38Å; Q244-G247 PolarHBondContact O-N 2.95Å; G247-F250 PolarHBondContact O-N 3.37Å; G247-V251 WeakPolarHBondContact O-CB 3.34Å; G247-V251 WeakPolarHBondContact O-CG2 3.34Å; G247-V251 PolarHBondContact O-N 2.97Å
248L84.2Confident76.9Confident114 Ų11499.3 Ų99.360%0.59753%0.528SS*.Hα-helixtrans-64.2-41.9178.2-79165.3000112.5W240 Q244 G252W240-L248 HydrophobicContact CZ3-CD1 4.39Å; Q244-L248 WeakPolarHBondContact O-CB 3.41Å; Q244-L248 PolarHBondContact O-N 2.8Å; L248-G252 PolarHBondContact O-N 2.87Å
249T83.2Confident79Confident85 Ų8599.1 Ų99.152%0.52152%0.519SS..Hα-helixtrans-70-36.9177.451.20000112.5Y245 F246 G252 A253Y245-T249 WeakPolarHBondContact O-CB 3.47Å; Y245-T249 WeakPolarHBondContact O-CG2 3.38Å; Y245-T249 PolarHBondContact O-N 2.84Å; Y245-T249 PolarHBondContact O-OG1 2.93Å; F246-T249 WeakPolarHBondContact CA-OG1 3.32Å; F246-T249 PolarHBondContact O-OG1 2.97Å; T249-G252 PolarHBondContact O-N 3.11Å; T249-A253 VanDerWaalsContact O-CB 3.24Å; T249-A253 WeakPolarHBondContact O-CB 3.45Å; T249-A253 PolarHBondContact O-N 3.05Å
250F85.8Confident81.1Confident139 Ų13996.4 Ų96.461%0.6151%0.508SS*.Hα-helixtrans-67-43.2174.8-175.6-101.8000112.3F246 G247 A253 L254F246-F250 WeakPolarHBondContact O-CB 3.29Å; F246-F250 PolarHBondContact O-N 2.83Å; G247-F250 PolarHBondContact O-N 3.37Å; F250-A253 PolarHBondContact O-N 2.83Å; F250-L254 HydrophobicContact CD1-CD1 3.92Å; F250-L254 HydrophobicContact CE1-CD1 3.44Å; F250-L254 VanDerWaalsContact CE1-CD1 3.44Å; F250-L254 HydrophobicContact CE1-CG 4.29Å; F250-L254 HydrophobicContact CZ-CD1 3.95Å; F250-L254 HydrophobicContact CZ-CG 4.44Å; F250-L254 PolarHBondContact O-N 2.81Å
251V89.3Confident82.8Confident78 Ų7892.3 Ų92.347%0.47350%0.502SS..Hα-helixtrans-64.8-43.4174.3171.10000110.9G247 A253 L254 I255G247-V251 WeakPolarHBondContact O-CB 3.34Å; G247-V251 WeakPolarHBondContact O-CG2 3.34Å; G247-V251 PolarHBondContact O-N 2.97Å; V251-A253 VanDerWaalsContact C-N 3.34Å; V251-A253 PolarHBondContact O-N 2.93Å; V251-L254 PolarHBondContact O-N 3.19Å; V251-I255 HydrophobicContact CG1-CD1 3.83Å; V251-I255 HydrophobicContact CG1-CG1 4.48Å; V251-I255 VanDerWaalsContact O-CG1 3.31Å; V251-I255 WeakPolarHBondContact O-CG1 3.36Å; V251-I255 PolarHBondContact O-N 2.86Å
252G88.4Confident84Confident29 Ų2994.4 Ų94.430%0.29951%0.512SS..Hα-helixtrans-60.5-41.4174.100000113L248 T249 I255 L256L248-G252 PolarHBondContact O-N 2.87Å; T249-G252 PolarHBondContact O-N 3.11Å; G252-I255 PolarHBondContact O-N 3.31Å; G252-L256 WeakPolarHBondContact O-CB 3.44Å; G252-L256 WeakPolarHBondContact O-CG 3.42Å; G252-L256 PolarHBondContact O-N 2.86Å
253A88.2Confident85Confident59 Ų5989.1 Ų89.149%0.48850%0.498SS..Hα-helixtrans-67.1-38.8175.900000112.7T249 F250 V251 G257T249-A253 VanDerWaalsContact O-CB 3.24Å; T249-A253 WeakPolarHBondContact O-CB 3.45Å; T249-A253 PolarHBondContact O-N 3.05Å; F250-A253 PolarHBondContact O-N 2.83Å; V251-A253 VanDerWaalsContact C-N 3.34Å; V251-A253 PolarHBondContact O-N 2.93Å; A253-G257 WeakPolarHBondContact O-CA 3.48Å; A253-G257 PolarHBondContact O-N 2.75Å
254L88.8Confident85.9Confident91 Ų9192.9 Ų92.948%0.47651%0.506SS..Hα-helixtrans-64.8-44.1172.9-88.7172000112.1F250 V251 G257 L258F250-L254 HydrophobicContact CD1-CD1 3.92Å; F250-L254 HydrophobicContact CE1-CD1 3.44Å; F250-L254 VanDerWaalsContact CE1-CD1 3.44Å; F250-L254 HydrophobicContact CE1-CG 4.29Å; F250-L254 HydrophobicContact CZ-CD1 3.95Å; F250-L254 HydrophobicContact CZ-CG 4.44Å; F250-L254 PolarHBondContact O-N 2.81Å; V251-L254 PolarHBondContact O-N 3.19Å; L254-G257 PolarHBondContact O-N 3.12Å; L254-L258 PolarHBondContact O-N 3.37Å
255I90.8Very high86.9Confident99 Ų9993.6 Ų93.651%0.50851%0.512SS..Hα-helixtrans-60.9-52.7176.9-69.8167.5000109.7V251 G252 G257 L258 L259V251-I255 HydrophobicContact CG1-CD1 3.83Å; V251-I255 HydrophobicContact CG1-CG1 4.48Å; V251-I255 VanDerWaalsContact O-CG1 3.31Å; V251-I255 WeakPolarHBondContact O-CG1 3.36Å; V251-I255 PolarHBondContact O-N 2.86Å; G252-I255 PolarHBondContact O-N 3.31Å; I255-G257 VanDerWaalsContact C-N 3.32Å; I255-G257 PolarHBondContact O-N 2.9Å; I255-L258 PolarHBondContact O-N 2.9Å; I255-L259 VanDerWaalsContact O-CB 3.31Å; I255-L259 WeakPolarHBondContact O-CB 3.29Å; I255-L259 PolarHBondContact O-N 3.34Å
256L88Confident87.6Confident104 Ų10490.4 Ų90.455%0.54551%0.508SS..Hα-helixtrans-61.3-40.1177.4-71.5171.1000112.3G252 L258 L259 I260G252-L256 WeakPolarHBondContact O-CB 3.44Å; G252-L256 WeakPolarHBondContact O-CG 3.42Å; G252-L256 PolarHBondContact O-N 2.86Å; L256-L258 PolarHBondContact O-N 3.08Å; L256-L259 PolarHBondContact O-N 3.01Å; L256-I260 HydrophobicContact CB-CD1 4.43Å; L256-I260 WeakPolarHBondContact O-CB 3.3Å; L256-I260 WeakPolarHBondContact O-CD1 3.36Å; L256-I260 VanDerWaalsContact O-CG1 3.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 2.95Å
257G87.4Confident88.2Confident46 Ų4688 Ų8847%0.47450%0.501SS..Hα-helixtrans-63.7-24.7177.500000114.4A253 L254 I255 P261A253-G257 WeakPolarHBondContact O-CA 3.48Å; A253-G257 PolarHBondContact O-N 2.75Å; L254-G257 PolarHBondContact O-N 3.12Å; I255-G257 VanDerWaalsContact C-N 3.32Å; I255-G257 PolarHBondContact O-N 2.9Å; G257-P261 WeakPolarHBondContact O-CD 3.43Å; G257-P261 WeakPolarHBondContact O-CG 3.3Å
258L89.4Confident88.3Confident118 Ų11890.5 Ų90.562%0.61851%0.506SS*.Hα-helixtrans-91.2-39.4170.7-73.4168.6000112.5L254 I255 L256 P261 V262L254-L258 PolarHBondContact O-N 3.37Å; I255-L258 PolarHBondContact O-N 2.9Å; L256-L258 PolarHBondContact O-N 3.08Å; L258-P261 WeakPolarHBondContact O-CD 3.48Å; L258-P261 WeakPolarHBondContact O-CG 3.19Å; L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.12Å; L258-V262 PolarHBondContact O-N 2.89Å
259L90.5Very high88.5Confident90 Ų9090 Ų9047%0.47150%0.503SS..Hα-helixtrans-68-42.9-175.7-141.6171.5000111.2I255 L256 V262 L263I255-L259 VanDerWaalsContact O-CB 3.31Å; I255-L259 WeakPolarHBondContact O-CB 3.29Å; I255-L259 PolarHBondContact O-N 3.34Å; L256-L259 PolarHBondContact O-N 3.01Å; L259-V262 PolarHBondContact O-N 3.14Å; L259-L263 HydrophobicContact CD2-CB 4.33Å; L259-L263 HydrophobicContact CD2-CD1 3.89Å; L259-L263 VanDerWaalsContact O-CB 3.26Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 PolarHBondContact O-N 2.81Å
260I88Confident88.7Confident115 Ų11593.4 Ų93.459%0.5951%0.506SS*.Hα-helixtrans-57.3-55.1179.3-68.8166.2000112.7L256 V262 L263 F264L256-I260 HydrophobicContact CB-CD1 4.43Å; L256-I260 WeakPolarHBondContact O-CB 3.3Å; L256-I260 WeakPolarHBondContact O-CD1 3.36Å; L256-I260 VanDerWaalsContact O-CG1 3.23Å; L256-I260 WeakPolarHBondContact O-CG1 3.36Å; L256-I260 PolarHBondContact O-N 2.95Å; I260-V262 PolarHBondContact O-N 3.11Å; I260-L263 PolarHBondContact O-N 2.87Å; I260-F264 WeakPolarHBondContact O-CB 3.15Å; I260-F264 PolarHBondContact O-N 2.92Å
261P88.6Confident88.6Confident67 Ų6788.6 Ų88.644%0.43549%0.492SS..Hα-helixtrans-66.9-34.5179.424.7-33.6000113G257 L258 F264 L265G257-P261 WeakPolarHBondContact O-CD 3.43Å; G257-P261 WeakPolarHBondContact O-CG 3.3Å; L258-P261 WeakPolarHBondContact O-CD 3.48Å; L258-P261 WeakPolarHBondContact O-CG 3.19Å; P261-F264 PolarHBondContact O-N 3.43Å; P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.13Å; P261-L265 PolarHBondContact O-N 2.89Å
262V90.1Very high88.2Confident90 Ų9088.3 Ų88.355%0.54549%0.493SS..Hα-helixtrans-63.6-46.6174.61700000111L258 L259 I260 F264 L265 V266L258-V262 WeakPolarHBondContact O-CB 3.43Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.12Å; L258-V262 PolarHBondContact O-N 2.89Å; L259-V262 PolarHBondContact O-N 3.14Å; I260-V262 PolarHBondContact O-N 3.11Å; V262-F264 PolarHBondContact O-N 3.4Å; V262-L265 PolarHBondContact O-N 3.48Å; V262-V266 WeakPolarHBondContact O-CG2 3Å; V262-V266 PolarHBondContact O-N 3.43Å
263L90.2Very high87.9Confident88 Ų8895 Ų9546%0.46151%0.509SS..Hα-helixtrans-66.6-38.5179.6-149.8167.6000110.8L259 I260 V266 I267L259-L263 HydrophobicContact CD2-CB 4.33Å; L259-L263 HydrophobicContact CD2-CD1 3.89Å; L259-L263 VanDerWaalsContact O-CB 3.26Å; L259-L263 WeakPolarHBondContact O-CB 3.4Å; L259-L263 PolarHBondContact O-N 2.81Å; I260-L263 PolarHBondContact O-N 2.87Å; L263-V266 PolarHBondContact O-N 2.82Å; L263-I267 HydrophobicContact CD2-CD1 3.47Å; L263-I267 VanDerWaalsContact CD2-CD1 3.47Å; L263-I267 HydrophobicContact CD2-CG1 4Å; L263-I267 WeakPolarHBondContact O-CG1 3.45Å; L263-I267 PolarHBondContact O-N 2.61Å
264F89.2Confident87.4Confident127 Ų12799.7 Ų99.756%0.55751%0.514SS*.Hα-helixtrans-61.7-42.2171.9-175-105.9000112.6I260 P261 V262 I267 L268I260-F264 WeakPolarHBondContact O-CB 3.15Å; I260-F264 PolarHBondContact O-N 2.92Å; P261-F264 PolarHBondContact O-N 3.43Å; V262-F264 PolarHBondContact O-N 3.4Å; F264-I267 PolarHBondContact O-N 3.43Å; F264-L268 HydrophobicContact CD1-CD1 3.92Å; F264-L268 HydrophobicContact CD1-CG 4.43Å; F264-L268 HydrophobicContact CE1-CD1 3.55Å; F264-L268 HydrophobicContact CE1-CG 4.17Å; F264-L268 HydrophobicContact CZ-CD1 4.16Å; F264-L268 HydrophobicContact CZ-CG 4.39Å; F264-L268 WeakPolarHBondContact O-CG 3.41Å; F264-L268 PolarHBondContact O-N 2.82Å
265L88.8Confident86.3Confident101 Ų101104.9 Ų104.953%0.52953%0.527SS..Hα-helixtrans-65.9-41.4177-156.5169000111.1P261 V262 L268 I269P261-L265 VanDerWaalsContact O-CB 3.31Å; P261-L265 WeakPolarHBondContact O-CB 3.13Å; P261-L265 PolarHBondContact O-N 2.89Å; V262-L265 PolarHBondContact O-N 3.48Å; L265-L268 PolarHBondContact O-N 2.88Å; L265-I269 HydrophobicContact CD2-CD1 3.43Å; L265-I269 VanDerWaalsContact CD2-CD1 3.43Å; L265-I269 HydrophobicContact CD2-CG1 3.97Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.86Å
266V89.9Confident84.9Confident86 Ų86105.4 Ų105.452%0.52153%0.528SS..Hα-helixtrans-61.2-42.9172.2170.60000111.6V262 L263 I269 W270V262-V266 WeakPolarHBondContact O-CG2 3Å; V262-V266 PolarHBondContact O-N 3.43Å; L263-V266 PolarHBondContact O-N 2.82Å; V266-I269 PolarHBondContact O-N 3.47Å; V266-W270 WeakPolarHBondContact O-CB 3.08Å; V266-W270 PolarHBondContact O-N 3.14Å
267I89.3Confident83.4Confident88 Ų88106.6 Ų106.645%0.45153%0.53SS..Hα-helixtrans-62.4-41.4174.7-72.6166.9000111.1L263 F264 W270 A271L263-I267 HydrophobicContact CD2-CD1 3.47Å; L263-I267 VanDerWaalsContact CD2-CD1 3.47Å; L263-I267 HydrophobicContact CD2-CG1 4Å; L263-I267 WeakPolarHBondContact O-CG1 3.45Å; L263-I267 PolarHBondContact O-N 2.61Å; F264-I267 PolarHBondContact O-N 3.43Å; I267-W270 PolarHBondContact O-N 3.3Å; I267-A271 VanDerWaalsContact O-CB 3.26Å; I267-A271 WeakPolarHBondContact O-CB 3.38Å; I267-A271 PolarHBondContact O-N 2.92Å
268L86.9Confident81.8Confident86 Ų86108 Ų10845%0.4554%0.538SS..Hα-helixtrans-63.3-46.4175.2-75.4176.4000111.9F264 L265 W270 A271 C272F264-L268 HydrophobicContact CD1-CD1 3.92Å; F264-L268 HydrophobicContact CD1-CG 4.43Å; F264-L268 HydrophobicContact CE1-CD1 3.55Å; F264-L268 HydrophobicContact CE1-CG 4.17Å; F264-L268 HydrophobicContact CZ-CD1 4.16Å; F264-L268 HydrophobicContact CZ-CG 4.39Å; F264-L268 WeakPolarHBondContact O-CG 3.41Å; F264-L268 PolarHBondContact O-N 2.82Å; L265-L268 PolarHBondContact O-N 2.88Å; L268-W270 VanDerWaalsContact C-N 3.32Å; L268-W270 PolarHBondContact O-N 2.81Å; L268-A271 PolarHBondContact O-N 2.84Å; L268-C272 WeakPolarHBondContact O-CB 2.93Å; L268-C272 PolarHBondContact O-N 2.84Å; L268-C272 PolarHBondContact O-SG 2.86Å; L268-C272 VanDerWaalsContact O-SG 3.35Å
269I88Confident80Confident105 Ų105109.5 Ų109.554%0.53854%0.543SS..Hα-helixtrans-58.7-45.2175.3-71.6170.5000110.5L265 V266 C272 R273L265-I269 HydrophobicContact CD2-CD1 3.43Å; L265-I269 VanDerWaalsContact CD2-CD1 3.43Å; L265-I269 HydrophobicContact CD2-CG1 3.97Å; L265-I269 WeakPolarHBondContact O-CG1 3.07Å; L265-I269 PolarHBondContact O-N 2.86Å; V266-I269 PolarHBondContact O-N 3.47Å; I269-C272 PolarHBondContact O-N 2.86Å; I269-R273 VanDerWaalsContact O-CB 3.27Å; I269-R273 WeakPolarHBondContact O-CB 3.19Å; I269-R273 PolarHBondContact O-N 3.2Å
270W87.3Confident77.8Confident155 Ų155114.5 Ų114.559%0.58756%0.564SS**Hα-helixtrans-65-41.9178.3-178.988.6000112.4V266 I267 L268 R273 R274V266-W270 WeakPolarHBondContact O-CB 3.08Å; V266-W270 PolarHBondContact O-N 3.14Å; I267-W270 PolarHBondContact O-N 3.3Å; L268-W270 VanDerWaalsContact C-N 3.32Å; L268-W270 PolarHBondContact O-N 2.81Å; W270-R273 PolarHBondContact O-N 2.89Å; W270-R274 VanDerWaalsContact O-CB 3.26Å; W270-R274 WeakPolarHBondContact O-CB 3.38Å; W270-R274 PolarHBondContact O-N 2.81Å
271A83.1Confident75.7Confident39 Ų39112 Ų11232%0.32256%0.557SS.*Hα-helixtrans-66.3-42.217700000112.2I267 L268 R274 R275I267-A271 VanDerWaalsContact O-CB 3.26Å; I267-A271 WeakPolarHBondContact O-CB 3.38Å; I267-A271 PolarHBondContact O-N 2.92Å; L268-A271 PolarHBondContact O-N 2.84Å; A271-R274 PolarHBondContact O-N 3.13Å; A271-R275 PolarHBondContact O-N 3.33Å
272C81.9Confident73.6Confident72 Ų72116.2 Ų116.249%0.48658%0.575SS.*Hα-helixtrans-62.4-48.7172.9-73.30000111.1L268 I269 R274 R275 H276L268-C272 WeakPolarHBondContact O-CB 2.93Å; L268-C272 PolarHBondContact O-N 2.84Å; L268-C272 PolarHBondContact O-SG 2.86Å; L268-C272 VanDerWaalsContact O-SG 3.35Å; I269-C272 PolarHBondContact O-N 2.86Å; C272-R274 VanDerWaalsContact C-N 3.34Å; C272-R274 PolarHBondContact O-N 2.78Å; C272-R275 PolarHBondContact O-N 2.04Å; C272-H276 PolarHBondContact O-CD2 2.82Å; C272-H276 VanDerWaalsContact O-CD2 3.24Å; C272-H276 PolarHBondContact O-N 3Å
273R80.7Confident71.4Confident169 Ų169121.2 Ų121.264%0.63859%0.586SS**Hα-helixtrans-59.1-43.1175.7-179.7171.7172.9173-4.7111.8I269 W270 R275 H276 H277I269-R273 VanDerWaalsContact O-CB 3.27Å; I269-R273 WeakPolarHBondContact O-CB 3.19Å; I269-R273 PolarHBondContact O-N 3.2Å; W270-R273 PolarHBondContact O-N 2.89Å; R273-R275 PolarHBondContact O-N 3.46Å; R273-H276 PolarHBondContact O-N 2.95Å; R273-H277 PolarHBondContact NE-NE2 2.84Å; R273-H277 PolarHBondContact O-CD2 3.46Å; R273-H277 PolarHBondContact O-N 3.4Å
274R77.8Confident69.1Low158 Ų158121.9 Ų121.960%0.59659%0.594SS**Hα-helixtrans-65.9-35.8177-169.3171.5-178.2172.10.2112.4W270 A271 C272 H277 A278W270-R274 VanDerWaalsContact O-CB 3.26Å; W270-R274 WeakPolarHBondContact O-CB 3.38Å; W270-R274 PolarHBondContact O-N 2.81Å; A271-R274 PolarHBondContact O-N 3.13Å; C272-R274 VanDerWaalsContact C-N 3.34Å; C272-R274 PolarHBondContact O-N 2.78Å; R274-H277 PolarHBondContact O-N 2.05Å; R274-A278 WeakPolarHBondContact O-CB 3.4Å; R274-A278 PolarHBondContact O-N 3.02Å; R274-A278 VanDerWaalsContact O-N 3.11Å
275R67.4Low66.9Low199 Ų199122.1 Ų122.175%0.75160%0.601SS**Hα-helixtrans-66-41.5170.4-79.8-176.2170.3-169.8-3.1112.4A271 C272 R273 H277 A278 M279A271-R275 PolarHBondContact O-N 3.33Å; C272-R275 PolarHBondContact O-N 2.04Å; R273-R275 PolarHBondContact O-N 3.46Å; R275-H277 VanDerWaalsContact C-N 3.29Å; R275-H277 PolarHBondContact O-N 2.84Å; R275-A278 PolarHBondContact O-N 3.44Å; R275-A278 VanDerWaalsContact O-N 3.08Å; R275-M279 PolarHBondContact O-N 3.32Å
276H60.7Low64.6Low111 Ų111122.4 Ų122.451%0.51461%0.611SS.*Hα-helixtrans-64.2-30.9174.4-80.9-69.4000113.3C272 R273 F289C272-H276 PolarHBondContact O-CD2 2.82Å; C272-H276 VanDerWaalsContact O-CD2 3.24Å; C272-H276 PolarHBondContact O-N 3Å; R273-H276 PolarHBondContact O-N 2.95Å; H276-F289 AromaticContact NE2-CZ 3.87Å
277H57.4Low62.3Low128 Ų128125.9 Ų125.959%0.59362%0.619SS**Hα-helixtrans-77.2-20.2171.2-70.1-59.7000114R273 R274 R275R273-H277 PolarHBondContact NE-NE2 2.84Å; R273-H277 PolarHBondContact O-CD2 3.46Å; R273-H277 PolarHBondContact O-N 3.4Å; R274-H277 PolarHBondContact O-N 2.05Å; R275-H277 VanDerWaalsContact C-N 3.29Å; R275-H277 PolarHBondContact O-N 2.84Å
278A53.8Low60.5Low77 Ų77126.9 Ų126.964%0.63663%0.625SS**Hα-helixtrans-86.6-14.9179.100000113.9R274 R275R274-A278 WeakPolarHBondContact O-CB 3.4Å; R274-A278 PolarHBondContact O-N 3.02Å; R274-A278 VanDerWaalsContact O-N 3.11Å; R275-A278 PolarHBondContact O-N 3.44Å; R275-A278 VanDerWaalsContact O-N 3.08Å
279M49.8Very low58.4Low148 Ų148130.8 Ų130.873%0.72964%0.639SS**SBendtrans-103105.7174.5-69.6-169.8171.500110.3R275 S281R275-M279 PolarHBondContact O-N 3.32Å; M279-S281 PolarHBondContact O-N 2.82Å
280H44.5Very low56.3Low195 Ų195129.7 Ų129.790%0.90364%0.64SS**  trans-68.167.2175.9-89.5-100.2000112.5
281S45.1Very low54.5Low64 Ų64125.6 Ų125.645%0.44863%0.633SS.*  trans-97.2131.4168.9178.40000109.8M279 Y283M279-S281 PolarHBondContact O-N 2.82Å; S281-Y283 PolarHBondContact O-N 3.19Å
282N44.6Very low52.8Low155 Ų155127.8 Ų127.883%0.82964%0.639SS**THydrogen-bonded Turntrans-70.918.7-177.9-77.4-27.3000114.9
283Y42.9Very low51.2Low195 Ų195129.7 Ų129.777%0.76564%0.643SS**THydrogen-bonded Turntrans-95.28.7173.8-82.2-87.2000113.8S281 N285S281-Y283 PolarHBondContact O-N 3.19Å; Y283-N285 PolarHBondContact O-N 3.33Å; Y283-N285 VanDerWaalsContact O-N 3.15Å
284T42.1Very low49.4Very low102 Ų102131.3 Ų131.363%0.62665%0.65SS**  trans-75.16.2-176.546.30000115.6S286T284-S286 VanDerWaalsContact C-N 3.29Å; T284-S286 PolarHBondContact O-N 2.84Å
285N43Very low47.8Very low132 Ų132131.7 Ų131.771%0.70665%0.652SS**SBendtrans-72.677.9175.4-82-52.4000113Y283 K287Y283-N285 PolarHBondContact O-N 3.33Å; Y283-N285 VanDerWaalsContact O-N 3.15Å; N285-K287 VanDerWaalsContact C-N 3.28Å; N285-K287 PolarHBondContact O-N 3.09Å
286S41.3Very low46.5Very low106 Ų106132.1 Ų132.174%0.74166%0.655SS**SBendtrans55.69.8134.858.80000121T284T284-S286 VanDerWaalsContact C-N 3.29Å; T284-S286 PolarHBondContact O-N 2.84Å
287K41.3Very low46.3Very low159 Ų159133.1 Ų133.169%0.69166%0.663SS**  trans-130.90.2-176.5-82-169.7174-177.80118.8N285 T291N285-K287 VanDerWaalsContact C-N 3.28Å; N285-K287 PolarHBondContact O-N 3.09Å; K287-T291 PolarHBondContact O-OG1 3.41Å
288L50Low45.7Very low110 Ų110129.2 Ų129.258%0.57666%0.658SS**SBendtrans-106.3-12.7-170.3-71.7173.1000117.3
289F44.1Very low44.9Very low168 Ų168128.6 Ų128.674%0.73766%0.659SS**SBendtrans-118.8-5.9-175-82-77.8000116.2H276H276-F289 AromaticContact NE2-CZ 3.87Å
290S43.7Very low44.5Very low82 Ų82129.6 Ų129.657%0.57366%0.659SS**SBendtrans-108.9-22.4179.449.40000114.4
291T48.8Very low44.3Very low69 Ų69128.3 Ų128.342%0.42365%0.653SS.*SBendtrans-101.2-42.9-171.845.90000113.2K287 L293 W294 Y295K287-T291 PolarHBondContact O-OG1 3.41Å; T291-L293 PolarHBondContact O-N 2.68Å; T291-W294 PolarHBondContact O-N 2.83Å; T291-Y295 PolarHBondContact O-N 2.84Å
292N48.7Very low44.1Very low84 Ų84131.2 Ų131.245%0.44966%0.663SS.*Hα-helixtrans-70.7-26.9-176.1-86.1-24.8000114.2W294 Y295 Y296N292-W294 VanDerWaalsContact C-N 3.35Å; N292-Y295 PolarHBondContact O-N 2.93Å; N292-Y296 PolarHBondContact O-N 2.99Å
293L47.1Very low44.1Very low112 Ų112129 Ų12959%0.58666%0.658SS**Hα-helixtrans-68.4-36.3177.9-166.668.3000111.6T291 Y295 Y296 I297T291-L293 PolarHBondContact O-N 2.68Å; L293-Y295 VanDerWaalsContact C-N 3.32Å; L293-Y296 PolarHBondContact O-N 3.05Å; L293-I297 HydrophobicContact CD1-CD1 4.15Å; L293-I297 HydrophobicContact CD2-CD1 4.37Å; L293-I297 HydrophobicContact CG-CD1 3.86Å; L293-I297 WeakPolarHBondContact O-CB 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.38Å
294W43.5Very low43.8Very low203 Ų203127.5 Ų127.577%0.76966%0.663SS**Hα-helixtrans-67.4-30.5172.1-85.592.7000112.8T291 N292 G298T291-W294 PolarHBondContact O-N 2.83Å; N292-W294 VanDerWaalsContact C-N 3.35Å; W294-G298 VanDerWaalsContact O-CA 3.22Å; W294-G298 WeakPolarHBondContact O-CA 3.24Å; W294-G298 PolarHBondContact O-N 2.81Å
295Y43.7Very low43.7Very low167 Ų167128.4 Ų128.466%0.65566%0.664SS**Hα-helixtrans-70.7-36172.2-96.1-97000112.9T291 N292 L293 I302T291-Y295 PolarHBondContact O-N 2.84Å; N292-Y295 PolarHBondContact O-N 2.93Å; L293-Y295 VanDerWaalsContact C-N 3.32Å; Y295-I302 HydrophobicContact CE1-CD1 4.07Å
296Y41.4Very low43.8Very low208 Ų208127.6 Ų127.682%0.81667%0.666SS**Hα-helixtrans-80.7-26178.2-94.8-86.4000114.7N292 L293N292-Y296 PolarHBondContact O-N 2.99Å; L293-Y296 PolarHBondContact O-N 3.05Å
297I55.1Low43.8Very low131 Ų131128.9 Ų128.967%0.67267%0.665SS**Hα-helixtrans-91.7-25.5174.6-63176000111.2L293 G299L293-I297 HydrophobicContact CD1-CD1 4.15Å; L293-I297 HydrophobicContact CD2-CD1 4.37Å; L293-I297 HydrophobicContact CG-CD1 3.86Å; L293-I297 WeakPolarHBondContact O-CB 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 3.45Å; L293-I297 PolarHBondContact O-N 3.38Å; I297-G299 VanDerWaalsContact C-N 3.28Å; I297-G299 PolarHBondContact O-N 2.76Å
298G45.5Very low43.5Very low47 Ų47124.6 Ų124.649%0.48567%0.666SS.*SBendtrans-79.26.5-17400000116.6W294 K300W294-G298 VanDerWaalsContact O-CA 3.22Å; W294-G298 WeakPolarHBondContact O-CA 3.24Å; W294-G298 PolarHBondContact O-N 2.81Å; G298-K300 PolarHBondContact O-N 3.48Å
299G36.2Very low42.7Very low64 Ų64128.7 Ų128.766%0.6668%0.679SS**  trans59.16.6160.100000118.8I297 E301I297-G299 VanDerWaalsContact C-N 3.28Å; I297-G299 PolarHBondContact O-N 2.76Å; G299-E301 PolarHBondContact O-N 2.99Å
300K41.6Very low42.3Very low169 Ų169132.3 Ų132.374%0.73569%0.688SS**  trans-91.6104.6-171.9-173.3172.6-177.1176.10111.3G298 I302G298-K300 PolarHBondContact O-N 3.48Å; K300-I302 PolarHBondContact O-N 3.42Å
301E39.9Very low41.7Very low167 Ų167131.7 Ų131.778%0.7870%0.695SS**  trans-59.6126.1168.852.4-95.4110.300111G299G299-E301 PolarHBondContact O-N 2.99Å
302I42.6Very low40.8Very low126 Ų126134.2 Ų134.265%0.64672%0.715SS**  trans-109.9117.3168.8-65.8174.4000105.8Y295 K300Y295-I302 HydrophobicContact CE1-CD1 4.07Å; K300-I302 PolarHBondContact O-N 3.42Å
303C43.2Very low39.8Very low108 Ų108135.2 Ų135.273%0.7373%0.729SS**  trans-61.8156.1-174.4-49.90000112.5D305C303-D305 PolarHBondContact O-N 2.83Å; C303-D305 VanDerWaalsContact O-N 3.13Å
304D37.9Very low39.3Very low163 Ų163135.1 Ų135.187%0.87274%0.738SS**  trans-57.5111.6178.7-52.8-96.4000112.3P306D304-P306 WeakPolarHBondContact O-CD 3.46Å
305D39.4Very low38.7Very low121 Ų121133.7 Ų133.765%0.64774%0.742SS**  trans-102.2101.2167.5-167.7-18.9000109.4C303 N307C303-D305 PolarHBondContact O-N 2.83Å; C303-D305 VanDerWaalsContact O-N 3.13Å; D305-N307 PolarHBondContact O-N 3.47Å
306P44.3Very low38Very low116 Ų116133.5 Ų133.575%0.75375%0.751SS**THydrogen-bonded Turntrans-71.44.2-167.128.9-36.2000114.8D304D304-P306 WeakPolarHBondContact O-CD 3.46Å
307N42.3Very low37.5Very low133 Ų133135 Ų13571%0.71176%0.755SS**THydrogen-bonded Turntrans-105.1-1.7-174.9-62.5-70.6000114.9D305 F309D305-N307 PolarHBondContact O-N 3.47Å; N307-F309 VanDerWaalsContact C-N 3.27Å; N307-F309 PolarHBondContact O-N 2.79Å
308G34.7Very low36.3Very low69 Ų69134 Ų13471%0.71176%0.76SS**  trans-66.6-15.1-173.700000116.8R310G308-R310 PolarHBondContact O-N 2.83Å
309F32.9Very low35.7Very low195 Ų195139.6 Ų139.686%0.85577%0.771SS**  trans-83.475.9-173.4-98.8-85.8000114N307N307-F309 VanDerWaalsContact C-N 3.27Å; N307-F309 PolarHBondContact O-N 2.79Å
310R35.9Very low35.5Very low244 Ų244143.2 Ų143.292%0.92177%0.77SS**  trans-13898.9161.7-75.6-166.2175.5-119.2-1.7112.5G308G308-R310 PolarHBondContact O-N 2.83Å
311G31.3Very low34.8Very low69 Ų69143.8 Ų143.871%0.71177%0.773SS**SBendtrans115.2108.5-176.600000110.4
312S29.7Very low34.5Very low123 Ų123143.3 Ų143.386%0.8678%0.776SS**SBendcis-151.694.513.7-64.60000112.4
313S28.8Very low33.9Very low105 Ų105142.9 Ų142.973%0.73478%0.784SS**  trans-158.356.6-178.744.30000115.3
314S35.2Very low33.6Very low110 Ų110143.5 Ų143.577%0.76979%0.787SS**  trans-153.1115.3159.549.50000109.4
315M31.1Very low33.4Very low173 Ų173141.6 Ų141.685%0.85279%0.786SS**  63.3116.284.9-69.2-158.9-166.500115.5
316L29.9Very low33.3Very low162 Ų162140.7 Ų140.785%0.84880%0.796SS**  trans57.691.7142.5-58.3171.1000119.1
317R29.9Very low32.8Very low240 Ų240142.2 Ų142.291%0.90680%0.803SS**  -162.4133.2128.6-118.1173.6-175173.93.3113.7
318S30.7Very low32.5Very low110 Ų110138.9 Ų138.977%0.76980%0.8SS**  trans-79.6147.9151550000109.3
319K33.1Very low32.4Very low165 Ų165141.6 Ų141.672%0.71780%0.803SS**  trans-177.4127142.9-105.5-179.6172.2-146.10113.5
320Q30.6Very low32.7Very low139 Ų139139.3 Ų139.365%0.6580%0.799SS**  trans62.5112.3139.2-64174.7-107.700120.7
321F28.1Very low32.6Very low182 Ų182134.8 Ų134.880%0.79879%0.792SS**  trans41.1111.8133.9-60.1-83.5000120.1
322N33.8Very low32.6Very low157 Ų157139.1 Ų139.184%0.8480%0.799SS**  -168.8142.197.6-94.7-19.1000112.4
323S29.5Very low32.6Very low116 Ų116136.8 Ų136.881%0.81179%0.794SS**  trans-130.7157.7166.3-540000108.6
324P36.9Very low32.5Very low121 Ų121135.6 Ų135.679%0.78680%0.799SS**  -137.6158.6124.437.2-27.4000114.6
325S33.1Very low32.1Very low123 Ų123134.6 Ų134.686%0.8681%0.806SS**  trans61.690.4156.5-58.60000120.5
326A37.4Very low31.9Very low103 Ų103129.7 Ų129.785%0.85180%0.799SS**  trans-165.383.7131.400000111.9
327T34.6Very low31.8Very low148 Ų148125.8 Ų125.891%0.90880%0.798SS**  trans-8130.7163.7-41.90000120.3
328G34.7Very low31.8Very low62 Ų62123.1 Ų123.164%0.63980%0.796SS**  trans137.977159.800000115.2
329T33.4Very low31.8Very low127 Ų127124.8 Ų124.878%0.77979%0.791SS**  49.1119.487.470.30000114
330L39Very low32Very low146 Ų146124.7 Ų124.776%0.76480%0.798SS**  cis-142.4144.917.2-68.5171.4000113.6
331L33Very low32.1Very low149 Ų149124.4 Ų124.478%0.7880%0.798SS**  23.5117.6129.5-57.5172.3000118.1
332N32Very low32.6Very low161 Ų161124.5 Ų124.586%0.86181%0.806SS**  78.812269.7-178.249.2000114
333G28.9Very low32.5Very low73 Ų73121 Ų12175%0.75379%0.793SS**  trans155.2122.2178.100000110.5
334G27.8Very low32.7Very low81 Ų81122.5 Ų122.584%0.83579%0.793SS**  trans-108.6168-170.200000115.4
335G26.9Very low32.6Very low89 Ų89121.2 Ų121.292%0.91879%0.792SS**  trans91.7151.5161.200000116.2
336G27.5Very low32.7Very low69 Ų69123.3 Ų123.371%0.71179%0.793SS**  trans12840.9158.800000120.8
337G26.7Very low32.6Very low80 Ų80124.1 Ų124.183%0.82579%0.787SS**  trans63.2-151.2149.100000119.5
338H31Very low32.7Very low184 Ų184125.8 Ų125.885%0.85279%0.787SS**  trans65.162.9177.6-61.4-77.5000118.5
339H29.8Very low32.8Very low145 Ų145129.5 Ų129.567%0.67179%0.793SS**  7.4124.6119.5167.2-76.6000117.3
340L37.9Very low33.1Very low164 Ų164131.3 Ų131.386%0.85980%0.797SS**  trans-151.7134.4134.2-111.1169.7000110
341M31.8Very low33.1Very low132 Ų132129 Ų12965%0.6579%0.79SS**  trans-90.8151.5-179.9-56.8175.374.800111.3
342L38.7Very low33Very low184 Ų184129.9 Ų129.996%0.96380%0.796SS**  trans-148.7148.1144.9-101.4134.1000108.6
343S32.2Very low33.4Very low83 Ų83128 Ų12858%0.5879%0.79SS**  trans-120.5-180-147.4-55.30000114.4
344N34Very low33.9Very low149 Ų149130.8 Ų130.880%0.79779%0.792SS**  trans78.5111.4170.5-48.4-4000112.4
345A33.8Very low34.7Very low93 Ų93132.8 Ų132.877%0.76979%0.787SS**  cis68.4119.224.200000115
346D36.6Very low35.3Very low167 Ų167134.4 Ų134.489%0.89378%0.782SS**  trans-145.8124155.5-106.2-36.4000107.6
347V34.2Very low35.7Very low120 Ų120135 Ų13573%0.72779%0.788SS**  trans-128.7130.6178.9173.10000107.2
348M36.3Very low36Very low183 Ų183134.5 Ų134.590%0.90178%0.783SS**  trans-146.9107.9167.5-83.2-60.3-176.100111.3
349D37Very low36.1Very low141 Ų141137 Ų13775%0.75479%0.785SS**  trans-73.6140.9157.8-71.7-60.3000110.1
350L39.4Very low36.5Very low165 Ų165137 Ų13786%0.86480%0.795SS**  trans-172155.2159.3-131.270.8000110.8
351P39.3Very low36.4Very low97 Ų97133.6 Ų133.663%0.6378%0.781SS**  -123.7177.4-74.440.3-29.2000112V353P351-V353 PolarHBondContact O-N 3.04Å
352D32.2Very low36.6Very low167 Ų167131.7 Ų131.789%0.89379%0.785SS**  trans-58.8134.9168.9-81.7-50.1000112.4
353V39.9Very low36.5Very low123 Ų123130.9 Ų130.975%0.74577%0.774SS**  trans-126111171.9179.80000109.4P351P351-V353 PolarHBondContact O-N 3.04Å
354V38.2Very low36.6Very low131 Ų131133.2 Ų133.279%0.79478%0.78SS**PPolyproline II helixtrans-69.3130-179.31780000110.8P356V354-P356 WeakPolarHBondContact O-CD 3.19Å
355V44.7Very low36.4Very low122 Ų122137 Ų13774%0.73979%0.785SS**PPolyproline II helixtrans-94.9116171.1-179.70000109.8
356P39.2Very low36.5Very low123 Ų123136.6 Ų136.680%0.79978%0.777SS**THydrogen-bonded Turntrans-69132.6167.3-1228000109.6V354V354-P356 WeakPolarHBondContact O-CD 3.19Å
357G37.1Very low36.2Very low82 Ų82132.2 Ų132.285%0.84577%0.771SS**THydrogen-bonded Turntrans123.13.9171.300000117.7
358G32.1Very low36.3Very low69 Ų69133.5 Ų133.571%0.71177%0.773SS**  trans54.774.5146.300000120
359R33.8Very low36.1Very low238 Ų238130 Ų13090%0.89876%0.762SS**  trans-158.5115.6132.5-112.8179.5-167.2-141.82.7111.3
360V38.3Very low36.1Very low144 Ų144131.4 Ų131.487%0.87377%0.769SS**  trans-98.8125.8170.1-176.80000108.1
361V36.4Very low35.8Very low93 Ų93127.1 Ų127.156%0.56477%0.765SS**  trans-122.8107169.7-175.90000107.3F363V361-F363 HydrophobicContact CB-CE2 4.2Å; V361-F363 HydrophobicContact CG1-CD2 4.45Å; V361-F363 HydrophobicContact CG1-CE1 4.32Å; V361-F363 HydrophobicContact CG1-CE2 3.88Å; V361-F363 HydrophobicContact CG1-CZ 3.81Å; V361-F363 PolarHBondContact O-N 3.03Å
362A35.3Very low35.3Very low91 Ų91126.1 Ų126.175%0.75277%0.772SS**  trans-80107.2-179.900000110.2N364A362-N364 PolarHBondContact O-N 2.88Å; A362-N364 VanDerWaalsContact O-N 3.08Å
363F36.2Very low35.4Very low167 Ų167125.3 Ų125.373%0.73277%0.768SS**  trans-81.284.5171.9-70.1-76.1000110.2V361 Y365V361-F363 HydrophobicContact CB-CE2 4.2Å; V361-F363 HydrophobicContact CG1-CD2 4.45Å; V361-F363 HydrophobicContact CG1-CE1 4.32Å; V361-F363 HydrophobicContact CG1-CE2 3.88Å; V361-F363 HydrophobicContact CG1-CZ 3.81Å; V361-F363 PolarHBondContact O-N 3.03Å; F363-Y365 WeakPolarHBondContact O-CD2 3.45Å; F363-Y365 PolarHBondContact O-N 2.98Å
364N34.2Very low35Very low132 Ų132124.7 Ų124.771%0.70677%0.765SS**  trans-68.8115.4171.1-175.817.4000109.8A362 S366A362-N364 PolarHBondContact O-N 2.88Å; A362-N364 VanDerWaalsContact O-N 3.08Å; N364-S366 PolarHBondContact ND2-OG 3.4Å; N364-S366 PolarHBondContact O-N 2.91Å
365Y30Very low34.7Very low229 Ų229125.3 Ų125.390%0.89876%0.763SS**  trans-80.263.8178.8-83.1-93.3000111.8F363F363-Y365 WeakPolarHBondContact O-CD2 3.45Å; F363-Y365 PolarHBondContact O-N 2.98Å
366S36.5Very low34Very low85 Ų85130.1 Ų130.159%0.59477%0.767SS**  trans-111.293.2167.760.40000109.5N364 N368N364-S366 PolarHBondContact ND2-OG 3.4Å; N364-S366 PolarHBondContact O-N 2.91Å; S366-N368 PolarHBondContact O-N 3.13Å
367G30.6Very low33.5Very low74 Ų74132.7 Ų132.776%0.76377%0.768SS**  trans-75.2115.2179.400000112.1
368N34.7Very low33.2Very low147 Ų147135.4 Ų135.479%0.78676%0.764SS**  trans-165.6132.7140-106.8-15.3000113.6S366S366-N368 PolarHBondContact O-N 3.13Å
369T33.8Very low33.2Very low109 Ų109139.4 Ų139.467%0.66976%0.764SS**  trans40.6121.4144.5600000122
370L35.4Very low33.2Very low171 Ų171134.7 Ų134.790%0.89576%0.756SS**  trans72.1149135.9-63.5167.6000120.3
371G33.1Very low32.8Very low76 Ų76135 Ų13578%0.78475%0.753SS**  trans86.688.2152.200000116.2N373G371-N373 PolarHBondContact O-N 3.22Å
372G30.1Very low32.5Very low75 Ų75134.3 Ų134.377%0.77376%0.757SS**  trans-75.1119.7157.900000110.3
373N34.7Very low32.1Very low150 Ų150132.9 Ų132.980%0.80275%0.751SS**  trans-161.7109.1150.2-102.1-19.9000112.4G371G371-N373 PolarHBondContact O-N 3.22Å
374T29.9Very low31.9Very low111 Ų111134.9 Ų134.968%0.68176%0.755SS**  trans32.2130132.561.90000121.5
375L31.9Very low31.6Very low143 Ų143134 Ų13475%0.74976%0.755SS**  trans87.4116.7141.2-66.6158.2000121.2
376R31.3Very low31.5Very low223 Ų223130.1 Ų130.184%0.84275%0.75SS**  trans88.5122.1131.8-72.9176.2175.2-166.9-2121.4
377H28.1Very low31.2Very low177 Ų177130.9 Ų130.982%0.81975%0.751SS**  trans-43.8137.7156.3-50.5-103.8000114.6
378N31.1Very low31.1Very low140 Ų140133.3 Ų133.375%0.74975%0.746SS**  -166.1130.9104.8-97-13.9000109.1
379H32.3Very low31Very low153 Ų153136.6 Ų136.671%0.70875%0.749SS**  75.4134.975.5-116.7-62.1000114
380N33.6Very low30.7Very low139 Ų139138.9 Ų138.974%0.74376%0.757SS**  trans76141.2159.1-57.6-17.5000116.8
381N29.3Very low30.5Very low151 Ų151135.1 Ų135.181%0.80774%0.744SS**  cis-155.9-176.1-11-158.53.8000111
382A29.8Very low30.2Very low77 Ų77139.1 Ų139.164%0.63675%0.748SS**  trans-21.8151.9160.800000117
383G28.3Very low30.1Very low61 Ų61139.2 Ų139.263%0.62974%0.742SS**  cis139.3-176.919.600000109.1
384Y31.1Very low30.1Very low209 Ų209140.7 Ų140.782%0.8274%0.744SS**  trans64.3110.4171.6-62.5-77.7000116.6
385T27.5Very low30.1Very low115 Ų115142 Ų14271%0.70675%0.746SS**  46.4127.998680000114.1
386N29.4Very low30.1Very low147 Ų147141.4 Ų141.479%0.78674%0.744SS**  -156.8-154.962.4-146.2-46.9000113.8
387T29Very low30.1Very low101 Ų101139.2 Ų139.262%0.6274%0.743SS**  trans-110.9161.2-160.551.30000114.9
388N28.3Very low30.2Very low125 Ų125136.9 Ų136.967%0.66874%0.741SS**  trans80.1152.8156-56-45.7000120.9
389Y32.5Very low30.1Very low215 Ų215137.8 Ų137.884%0.84374%0.743SS**  trans82.8119.7161.6-57-64.8000121.3
390L27.3Very low30.2Very low158 Ų158137.5 Ų137.583%0.82775%0.746SS**  trans-28.3158.7146.7-87.154.6000115.1
391S31.1Very low29.9Very low91 Ų91135.8 Ų135.864%0.63674%0.74SS**  cis177.1156.6-14.152.40000109.1
392N28.4Very low29.9Very low160 Ų160135.8 Ų135.886%0.85674%0.74SS**  trans52.4122.7161.6-88-8.6000118.5
393A28.3Very low30.1Very low78 Ų78136.9 Ų136.965%0.64574%0.739SS**  174.3159.9108.500000112.2
394Q34.4Very low30.2Very low181 Ų181141.7 Ų141.785%0.84675%0.75SS**  trans60.6118157-69.4153.4-6.600117.2
395N28.6Very low30.1Very low138 Ų138134.5 Ų134.574%0.73874%0.74SS**  cis81.4149.533.4-158.523.9000114.6
396N32.9Very low30.2Very low130 Ų130136 Ų13670%0.69575%0.749SS**  trans78.3121.7-169.9-50.3-18.1000112.7
397Q30.8Very low30.4Very low177 Ų177135.4 Ų135.483%0.82775%0.75SS**  cis93.3163.741.8-75.1-162.6-4.100114.1
398V31.3Very low30.5Very low129 Ų129134.7 Ų134.778%0.78275%0.75SS**  trans76.9106.9-170-168.20000112
399M28Very low30.9Very low158 Ų158136.3 Ų136.378%0.77876%0.757SS**  cis88.4154.532.8-155.6-121.2-73.500113.9T401M399-T401 HydrophobicContact SD-CG2 4.33Å
400L34Very low31Very low147 Ų147132.4 Ų132.477%0.7775%0.751SS**  trans104102.9-171.1-61.5162.9000112.2
401T28.3Very low31.3Very low103 Ų103131.8 Ų131.863%0.63275%0.749SS**  cis100.1136.930.565.80000114.3M399M399-T401 HydrophobicContact SD-CG2 4.33Å
402N28.9Very low31.3Very low151 Ų151133.1 Ų133.181%0.80776%0.757SS**  trans73.5157.9158.8-123.92.7000115.3
403V34.2Very low31.7Very low100 Ų100128.5 Ų128.561%0.60675%0.747SS**  cis-148.9148.96.8-149.90000110.1
404N30.8Very low32.1Very low162 Ų162131 Ų13187%0.86676%0.755SS**  trans53.7160.2156.3-65.3-12.9000120.6
405G28.6Very low32.1Very low59 Ų59129.1 Ų129.161%0.60875%0.75SS**  cis153.2127.7-10.500000113.4
406T29.3Very low32.2Very low146 Ų146128.3 Ų128.390%0.89675%0.75SS**  trans59.7165.1174.863.10000116.1
407V33.2Very low32.2Very low134 Ų134128.9 Ų128.981%0.81276%0.758SS**  cis-138.3165.724.5174.60000112.6
408S32.4Very low32.1Very low86 Ų86126.5 Ų126.560%0.60176%0.756SS**  trans-88.8167.7-171.356.50000118.1
409L35.9Very low32.3Very low159 Ų159127.4 Ų127.483%0.83276%0.762SS**  trans-173.8111.8132.2-92.4151.3000107.5
410N34.5Very low32.3Very low134 Ų134124 Ų12472%0.71776%0.758SS**  61.5137.884.5-60.7-6.7000113.9
411N34.4Very low32.2Very low145 Ų145129 Ų12978%0.77577%0.767SS**  cis-153.6175.627.1-159.415.9000115
412C31.2Very low32.3Very low118 Ų118131.2 Ų131.280%0.79778%0.781SS**  trans-30.4160.2-179.3-60.40000121.4
413G36.4Very low32.7Very low63 Ų63127 Ų12765%0.64977%0.773SS**  cis146.1157.5-900000116.7
414T35.3Very low32.7Very low132 Ų132130.5 Ų130.581%0.8178%0.783SS**  trans62.7148.7159.252.30000119.8
415N34.5Very low32.8Very low140 Ų140129.3 Ų129.375%0.74978%0.776SS**  cis-134.7157.9-1.2-73.8-58.6000108.1
416V30.7Very low33Very low121 Ų121131.9 Ų131.973%0.73378%0.78SS**  cis78.7102.829.6-173.80000116.2
417T33.6Very low33.1Very low143 Ų143133.1 Ų133.188%0.87778%0.778SS**  trans-161.5148136.7-5.10000111.9
418T29.4Very low33.4Very low127 Ų127131.6 Ų131.678%0.77977%0.771SS**  trans-139.6133.5-173.7-52.90000110.2
419V34.8Very low33.4Very low148 Ų148134.7 Ų134.790%0.89778%0.78SS**  trans-142.4136160.6-171.20000109.1
420A28.3Very low33.4Very low86 Ų86133.1 Ų133.171%0.71178%0.776SS**  trans-118.4162.1176.900000111.2
421R32.1Very low33.3Very low252 Ų252131.3 Ų131.395%0.95177%0.774SS**  trans-148.6138.9156.7-110.8178.2-169.7-169.52.5111.8
422T30.3Very low33.2Very low150 Ų150130.3 Ų130.392%0.9277%0.769SS**  trans-116.7155.4-179.134.90000111.2
423G36Very low33.3Very low62 Ų62132.1 Ų132.164%0.63977%0.766SS**  trans179.597.6173.200000108.9
424Q35.1Very low33.1Very low174 Ų174135.2 Ų135.281%0.81377%0.767SS**  67.7105.699.9-72.3-172.6-14.700112.8
425N32.7Very low33Very low136 Ų136135 Ų13573%0.72776%0.76SS**  89140.389.6-72.2-2.7000111.7
426T34Very low33Very low114 Ų114135.8 Ų135.870%0.69976%0.759SS**  cis-165.8149.20.610.90000112.3
427M30.8Very low33.1Very low172 Ų172137.3 Ų137.385%0.84776%0.758SS**  trans72.3159.9148.8-63.9-62.8-79.600121.3
428P39.8Very low33.1Very low102 Ų102137.6 Ų137.666%0.66275%0.749SS**  trans-129.4-161.5-161.844.8-27.7000114.2
429L31.9Very low33.2Very low151 Ų151135.8 Ų135.879%0.79174%0.742SS**  144.8151.7127.6-155.975.1000113.7
430V35.2Very low33Very low125 Ų125137.4 Ų137.476%0.75874%0.739SS**  trans72.7146.1165-166.70000117.2
431S33Very low32.9Very low97 Ų97137.9 Ų137.968%0.67874%0.737SS**  cis-167.5156.8-41.5-86.10000109.9
432N32Very low32.9Very low124 Ų124133.7 Ų133.766%0.66373%0.728SS**  trans41.7128150.2-76.338.5000123.7
433E33.3Very low33Very low155 Ų155133 Ų13372%0.72472%0.715SS**  trans70158.6132.3-61.7177119.100118.1
434L32.1Very low32.8Very low129 Ų129138 Ų13868%0.67572%0.722SS**  cis-154.2139.92.4-152.954.8000111.9
435I33.8Very low32.5Very low128 Ų128136.4 Ų136.466%0.65672%0.719SS**  trans60.4141.2142.7-77176.6000123.6
436Q34.2Very low32.6Very low156 Ų156137.9 Ų137.973%0.72972%0.721SS**  trans81.3124.4153.3-91157.911.400123.8
437Q33.1Very low32.3Very low153 Ų153136.8 Ų136.872%0.71572%0.724SS**  49.4142.9119.8-73.9177.2-15.800121.2
438Q33.4Very low32.4Very low149 Ų149139 Ų13970%0.69672%0.724SS**  cis-167.9156.1-8.8-171.3170-4400110.3
439S30.7Very low31.7Very low89 Ų89140.5 Ų140.562%0.62273%0.726SS**  trans60.4119.5154.648.30000122.7
440Q30.9Very low31.7Very low182 Ų182143.9 Ų143.985%0.8573%0.73SS**  87.2112.2126.5-72.3-177.31.900123.3
441S27.4Very low31.4Very low95 Ų95146 Ų14666%0.66473%0.732SS**  102.6145122.880.90000119.9
442Q31.8Very low31.4Very low164 Ų164148.2 Ų148.277%0.76674%0.742SS**  trans68.9147.6170.6-54.7-178.569.100115.1
443Q31.5Very low31.3Very low137 Ų137149.9 Ų149.964%0.6475%0.75SS**  cis-162.8166.9-17.1-117.7-170.338.800107.5
444Q32.3Very low31.6Very low167 Ų167147.6 Ų147.678%0.7875%0.749SS**  trans66.4157.8159.5-72.9171.948.800116.6
445N29.3Very low31.6Very low140 Ų140147.2 Ų147.275%0.74975%0.752SS**  cis-161.7-169.7-26.2-170.218.4000108
446E34Very low31.5Very low167 Ų167150.7 Ų150.778%0.7876%0.763SS**  trans85.2140.7162.8-50.9-161.3128.500117.7
447A28.7Very low31.4Very low91 Ų91146.3 Ų146.375%0.75276%0.759SS**  trans-148.6149.3-177.800000109.3
448Y31.6Very low31.4Very low219 Ų219148 Ų14886%0.85977%0.767SS**  trans-136146.8169.4-90.1-81.8000111.6
449N25.4Very low31.2Very low132 Ų132145.8 Ų145.871%0.70677%0.768SS**  trans-138.6135.5-169.916821.9000107.8
450Y32.9Very low31.4Very low222 Ų222148.2 Ų148.287%0.87178%0.779SS**  trans-155.4166.5163.9-92.3-57.7000113.4
451Q27.7Very low31.2Very low170 Ų170144.9 Ų144.979%0.79478%0.776SS**  trans-151.1132.7-149.5166.7-166.2-8.800111.2
452T34Very low31.5Very low144 Ų144149.4 Ų149.488%0.88379%0.788SS**  trans-150.4155.816743.10000112.1
453N28.7Very low31.3Very low158 Ų158146.2 Ų146.285%0.84579%0.79SS**  trans-127.9-167.6-168.7-134.4-0.4000111.5
454P39.8Very low31.4Very low107 Ų107146.7 Ų146.770%0.69580%0.802SS**  trans-124.3172.8-140.140.7-21.9000116.4
455V31.7Very low31.2Very low121 Ų121147 Ų14773%0.73381%0.806SS**  trans-152.1152169.4-150.40000112.5
456F32.7Very low31.6Very low202 Ų202147.6 Ų147.689%0.88682%0.815SS**  trans66.7148.5171.9-60-78000118
457G31.4Very low31.4Very low63 Ų63144.3 Ų144.365%0.64982%0.816SS**  cis151.6134.5-9.300000113.4
458E33.4Very low31.7Very low189 Ų189144.9 Ų144.988%0.88382%0.815SS**  trans56.2112.4163.7-62.9178.7156.800117.7
459S28.8Very low31.9Very low103 Ų103143 Ų14372%0.7281%0.814SS**  70.7116.565.578.10000116.4
460V34.6Very low32.2Very low139 Ų139142.2 Ų142.284%0.84282%0.819SS**  trans-161.9143.6147.7147.60000108.9
461S27.4Very low32.2Very low113 Ų113137.8 Ų137.879%0.7982%0.817SS**  trans-100.8153.1176.2-530000112.3
462M34Very low32.7Very low189 Ų189138.1 Ų138.193%0.93182%0.821SS**  trans-150.4143.1155.6-115.5-178.3-70.700111.1
463A27.2Very low32.8Very low97 Ų97137.9 Ų137.980%0.80281%0.813SS**  trans-134.3143.8-178.500000110.5
464V34.1Very low33Very low148 Ų148138.2 Ų138.290%0.89781%0.811SS**  trans-137.6137.5170.5179.80000108.6
465M28.9Very low32.8Very low173 Ų173138.6 Ų138.685%0.85281%0.812SS**  trans-102.5144.4-179.4-55.6171.1-73.900111
466T37.1Very low32.7Very low153 Ų153141 Ų14194%0.93982%0.815SS**  trans-149.7150.814335.40000109
467A30.6Very low32.8Very low98 Ų98137.4 Ų137.481%0.8182%0.815SS**  trans-137.7146.2-176.200000111.2
468S33.7Very low32.8Very low103 Ų103142.2 Ų142.272%0.7282%0.823SS**  trans-178137.514349.90000114
469Q35.1Very low32.7Very low180 Ų180137.6 Ų137.684%0.84182%0.817SS**  trans50.8108.4142-59.1170.227.500120.4
470S32.6Very low33.3Very low115 Ų115139 Ų13980%0.80482%0.824SS**  157114.8108.6-69.20000113.6
471P32.5Very low33.3Very low128 Ų128139.6 Ų139.683%0.83182%0.822SS**  trans-113.5143.9165.236.6-26.7000112.8
472M37.8Very low33.3Very low178 Ų178145.1 Ų145.188%0.87783%0.827SS**  trans-135.9150.6163.8-87-172.267.400112.4
473L36.3Very low33.3Very low139 Ų139139.8 Ų139.873%0.72882%0.821SS**  trans-53.5164.6-179.6-55.992.1000113.2
474M33.4Very low33.5Very low164 Ų164140.8 Ų140.881%0.80882%0.822SS**  cis-160.5174.210.7-134.3168.4178.600107.4
475T35.7Very low33.6Very low116 Ų116143.5 Ų143.571%0.71283%0.825SS**  cis-135.41686.546.30000111.2
476Q29.6Very low33.7Very low171 Ų171139.7 Ų139.780%0.79982%0.821SS**  trans-141.1139.4148.6-72.3-17652.200108.2
477S34.3Very low33.7Very low127 Ų127140 Ų14089%0.88882%0.817SS**  trans-107.6133170.941.30000110
478M31.8Very low33.8Very low164 Ų164143.5 Ų143.581%0.80882%0.816SS**  trans-108.7159.9-168.5-59.1-178.4-174.800112
479A31.1Very low33.9Very low91 Ų91145.1 Ų145.175%0.75282%0.821SS**PPolyproline II helixtrans-71148.6171.600000111.6N481A479-N481 PolarHBondContact O-N 3.06Å
480P41.9Very low33.8Very low133 Ų133140.3 Ų140.386%0.86481%0.812SS**PPolyproline II helixtrans-75.1124.7170.125.3-22.2000110.3
481N34.6Very low33.6Very low152 Ų152143.5 Ų143.581%0.81381%0.814SS**PPolyproline II helixtrans-86.6160.3172-167.613.8000110.6A479 G483A479-N481 PolarHBondContact O-N 3.06Å; N481-G483 PolarHBondContact O-N 3.16Å
482Y27.9Very low33.5Very low229 Ų229142.3 Ų142.390%0.89881%0.809SS**PPolyproline II helixtrans-62.3126.7175.6-92.2-106.5000111.5
483G33.7Very low33Very low77 Ų77140.8 Ų140.879%0.79481%0.805SS**  trans-113.7109.1168.900000110.2N481N481-G483 PolarHBondContact O-N 3.16Å
484S31Very low32.6Very low118 Ų118143.2 Ų143.283%0.82581%0.81SS**  trans-102.3107.817857.10000110.9
485E36.1Very low32.3Very low204 Ų204140.7 Ų140.795%0.95381%0.808SS**  trans-98.9123.2162.7-69.5-163.5124.500109.7
486A31.3Very low31.9Very low94 Ų94142.2 Ų142.278%0.77781%0.812SS**  trans-106.5132.7173.200000109.1
487N37.1Very low31.9Very low158 Ų158140.9 Ų140.985%0.84582%0.816SS**  trans-147.4149.1157.3-107.4-51.1000111.9
488H32.3Very low31.8Very low173 Ų173142.1 Ų142.180%0.80181%0.812SS**  trans-60.6160.6-172.6-59.8-97.3000112.3
489V35.9Very low31.8Very low136 Ų136140 Ų14082%0.82481%0.808SS**  -154.6160.753.11660000112.8
490A33.5Very low31.8Very low79 Ų79139.1 Ų139.165%0.65379%0.789SS**  trans-11.6135.2167.800000119.3
491Q27Very low31.5Very low183 Ų183137 Ų13786%0.85577%0.768SS**  85.9138.452.8-164.3-173.952.100113.5
492S30.9Very low31.5Very low103 Ų103133.7 Ų133.772%0.7275%0.749SS**  trans75.6154175.892.20000116.2
493N28Very low31.7Very low146 Ų146127.8 Ų127.878%0.78173%0.733SS**  cis-158.3174-18.6-123.2-19.9000113
494F26.7Very low31.7Very low190 Ų190131.5 Ų131.583%0.83373%0.73SS**  trans-36.7143.8166.4-81.4-106.9000116.7
495S27.7Very low31.7Very low111 Ų111133 Ų13378%0.77673%0.727SS**  135150.2128.8-63.40000116.1
496N27Very low31.5Very low148 Ų148130.2 Ų130.279%0.79172%0.719SS**  trans-45144.6163.2-54.2-47.6000113.3
497T29.3Very low31.8Very low143 Ų143130.3 Ų130.388%0.87771%0.712SS**  -167.6151.5100.516.70000113.1
498N32.2Very low31.6Very low153 Ų153128.7 Ų128.782%0.81871%0.713SS**  trans-65.8144.8164.5-76.1-69.6000110.8
499T31.8Very low31.5Very low118 Ų118123.5 Ų123.572%0.72471%0.706SS**  -166.9139.6127.833.50000106.7
500Q33.1Very low31.3Very low73 Ų73126.6 Ų126.634%0.34171%0.711SS.*  cis-164.2166.43.7-105.9-177.69400107P533 T534Q500-P533 WeakPolarHBondContact O-CB 3.29Å; Q500-P533 WeakPolarHBondContact O-CG 2.96Å; Q500-T534 HydrophobicContact CB-CG2 3.56Å; Q500-T534 HydrophobicContact CG-CG2 4.3Å; Q500-T534 VanDerWaalsContact OE1-CB 3.31Å
501Q34.4Very low31.1Very low90 Ų90126.7 Ų126.742%0.42171%0.713SS.*  cis171.3159.2-22-119.1-172.8-20.800107.8P533 T534Q501-P533 WeakPolarHBondContact O-CA 3.46Å; Q501-P533 WeakPolarHBondContact O-CB 3.42Å; Q501-T534 PolarHBondContact O-N 2.83Å; Q501-T534 VanDerWaalsContact O-N 3.07Å
502I35.9Very low31.2Very low81 Ų81128.2 Ų128.242%0.41571%0.712SS.*  trans75.9134.7141.7-75.1173.7000118.5Q535I502-Q535 WeakPolarHBondContact CD1-O 3.48Å
503N32.1Very low31.3Very low105 Ų105129.9 Ų129.956%0.56171%0.713SS**  cis-162.6158.1-2.2-122.8-11.2000115.8
504Q32Very low31.6Very low156 Ų156132.5 Ų132.573%0.72972%0.717SS**  trans58.7142.9139.6-73.6168.5800121
505L32.2Very low32Very low149 Ų149128.8 Ų128.878%0.7871%0.712SS**  cis-130.8151.8-10.6-63.897.3000107.4
506N32.1Very low32.3Very low146 Ų146129.7 Ų129.778%0.78171%0.713SS**  cis76.9145.439.8-140.641.3000113.8
507P37.7Very low32.6Very low96 Ų96128.5 Ų128.562%0.62371%0.711SS**  -137.4-153-72.544-28.3000112.6
508S32.5Very low32.8Very low123 Ų123129.3 Ų129.386%0.8671%0.705SS**  trans92.9140.3170.9-36.70000114.9
509G30Very low32.9Very low64 Ų64129.4 Ų129.466%0.6670%0.7SS**  cis154144-6.800000111.7
510Q32.3Very low32.9Very low201 Ų201130.9 Ų130.994%0.93970%0.699SS**  trans65.3164-176.2-52.2-178.16.900114.3
511A27.9Very low32.9Very low82 Ų82133.7 Ų133.768%0.67871%0.712SS**  cis-165.4160.4-4000000109.7
512Y29.6Very low33Very low214 Ų214136.5 Ų136.584%0.83973%0.725SS**  trans68.4126.2159.5-95.7-110.9000121.9
513N33.9Very low32.9Very low138 Ų138141.5 Ų141.574%0.73875%0.746SS**  trans72.9112.4140.7-85.6-8.6000125
514K33.9Very low33.1Very low202 Ų202142 Ų14288%0.87876%0.755SS**  trans73.3151.5138-98.9-159.5170-173.30121.1
515P34.6Very low33.2Very low111 Ų111146 Ų14672%0.72176%0.764SS**  trans-113.6154.5-169.541.2-32000116
516T34.4Very low33.3Very low131 Ų131142.6 Ų142.680%0.80476%0.757SS**  trans-156.5115.4147.421.10000106.5
517V32.2Very low33.3Very low123 Ų123144.2 Ų144.275%0.74576%0.76SS**  88.5140.381.81630000113.1
518Q34.6Very low33Very low160 Ų160145 Ų14575%0.74877%0.767SS**  trans81.9103.3169.5-81166.85.300121.1
519Q33.9Very low32.8Very low155 Ų155146.9 Ų146.972%0.72476%0.763SS**  81.8121.6121.3-72.41795.600122.9
520Q31.8Very low32.7Very low149 Ų149153.7 Ų153.770%0.69677%0.77SS**  83.8115.2129.8-80.5-173.8-16.800122.8
521H33.9Very low32.7Very low131 Ų131153.2 Ų153.261%0.60677%0.765SS**  106.5123.8123.9-85.7-55.7000121.9
522H35.7Very low33.1Very low149 Ų149155 Ų15569%0.6977%0.769SS**  trans70.691.2148.7-57.7132.7000121.6
523Q33.7Very low33.6Very low186 Ų186147.8 Ų147.887%0.86975%0.749SS**  50.5158.1106.8-87.2-156.1-40.500122.3
524P37.5Very low33.7Very low115 Ų115144.4 Ų144.475%0.74773%0.733SS**  -126.7179.1-129.444.7-33.3000115.8
525R32.9Very low33.8Very low242 Ų242141.2 Ų141.291%0.91372%0.722SS**  trans-147104.6159.8-162.3167.3-176.5129.10.5115.8
526A34.6Very low33.9Very low77 Ų77142.3 Ų142.364%0.63672%0.717SS**  trans25.1126.5141.600000123.4
527Q31.2Very low34Very low180 Ų180142.1 Ų142.184%0.84172%0.721SS**  80.4128.3124.2-74.1179.1-20.700123.5
528S31.7Very low34Very low111 Ų111145 Ų14578%0.77673%0.726SS**  trans70.2150.6141.3-58.70000120.8
529Q29.2Very low34Very low164 Ų164144.3 Ų144.377%0.76673%0.733SS**  cis-170.4159.5-36.4-140.2-175.223.900108.6
530Y28.3Very low33.9Very low206 Ų206143.6 Ų143.681%0.80874%0.735SS**  trans80.4150.2164.8-89.2-90.4000122.8
531F31.8Very low33.9Very low192 Ų192142.8 Ų142.884%0.84273%0.734SS**  trans-97.7-166.2-176.5-73.3-99.8000111
532P36.2Very low34Very low118 Ų118143.4 Ų143.477%0.76674%0.74SS**  cis-138.7-128.311.336.3-6.8000116.6
533P40.4Very low34Very low63 Ų63144.2 Ų144.241%0.40975%0.745SS.*  -138.1-170.3-122.337.8-13.5000120.7Q500 Q501Q500-P533 WeakPolarHBondContact O-CB 3.29Å; Q500-P533 WeakPolarHBondContact O-CG 2.96Å; Q501-P533 WeakPolarHBondContact O-CA 3.46Å; Q501-P533 WeakPolarHBondContact O-CB 3.42Å
534T34.7Very low34.1Very low67 Ų67140.6 Ų140.641%0.41174%0.737SS.*  trans119.8145.1141.471.30000123.8Q500 Q501Q500-T534 HydrophobicContact CB-CG2 3.56Å; Q500-T534 HydrophobicContact CG-CG2 4.3Å; Q500-T534 VanDerWaalsContact OE1-CB 3.31Å; Q501-T534 PolarHBondContact O-N 2.83Å; Q501-T534 VanDerWaalsContact O-N 3.07Å
535Q37.1Very low34Very low136 Ų136142 Ų14264%0.63673%0.734SS**  trans124.6157149.7-66.5-90.314.600120.9I502I502-Q535 WeakPolarHBondContact CD1-O 3.48Å
536Q35.8Very low34.1Very low133 Ų133136 Ų13662%0.62173%0.726SS**  trans-139.2155.8-131.6177.4-165.978.900116.6
537S36.4Very low34Very low127 Ų127139.7 Ų139.789%0.88873%0.73SS**  trans-176.6178.7154.2-900000117.3
538Q33.6Very low34Very low183 Ų183139.2 Ų139.286%0.85573%0.732SS**  trans-124.5167.6-155-53.4170.2-12.300117.2
539T34.1Very low33.8Very low146 Ų146138.1 Ų138.190%0.89673%0.729SS**  trans167.9171141.9-77.10000112.2
540N30.6Very low34Very low141 Ų141135.9 Ų135.975%0.75472%0.719SS**  -165.1179.9-76.5-158.3-5.5000111.8
541L33.3Very low34.1Very low131 Ų131130.3 Ų130.369%0.68671%0.71SS**  trans87.7118.3161.6-88.965.3000124
542I36.1Very low34Very low144 Ų144125.4 Ų125.474%0.73869%0.688SS**  trans73.5142.4138.1-64.9169.5000120.4
543Q34.9Very low33.7Very low167 Ų167127.2 Ų127.278%0.7869%0.687SS**  cis-171.7-174.4-28.2-149.1179.3-11.100109.4
544P36.9Very low33.4Very low109 Ų109132.9 Ų132.971%0.70871%0.707SS**  -111.8174.8-92.440.4-27.2000120.5
545Q33.6Very low33.2Very low146 Ų146134.6 Ų134.668%0.68272%0.72SS**  trans-21173.7151.9-92.7178-26.600121.8
546P36Very low33Very low116 Ų116133.2 Ų133.275%0.75373%0.725SS**  cis-131.314828.830.5-7.8000117.7
547Q31.9Very low32.5Very low153 Ų153134.1 Ų134.172%0.71574%0.735SS**  62.4125.182-81.7-164.4-15.100119
548I30.6Very low32.2Very low171 Ų171136.9 Ų136.988%0.87773%0.731SS**  -174.8154.8122.9-94.1158.7000109.8
549A29.3Very low31.9Very low87 Ų87136.3 Ų136.372%0.71973%0.728SS**  trans-155.1159.1179.600000112.1
550Q33.3Very low31.7Very low118 Ų118137.6 Ų137.655%0.55172%0.721SS**  trans-166.2175.3163.2-111.6150.1400114.6S631 F632Q550-S631 VanDerWaalsContact CD-C 3.42Å; Q550-F632 PolarHBondContact OE1-O 2.71Å
551S29Very low31.6Very low88 Ų88138.9 Ų138.962%0.61572%0.723SS**  trans-130.3-143-160.259.50000113.6
552F29.8Very low31.5Very low89 Ų89139.8 Ų139.839%0.3973%0.729SS.*  trans85143177.6-71.1-106.2000117.2S631 F632F552-S631 VanDerWaalsContact CE2-OG 3.31Å; F552-S631 WeakPolarHBondContact CE2-OG 3.34Å; F552-S631 WeakPolarHBondContact CZ-OG 3.33Å; F552-F632 HydrophobicContact CB-CD2 4.4Å; F552-F632 HydrophobicContact CB-CE1 4.03Å; F552-F632 HydrophobicContact CB-CE2 3.76Å; F552-F632 HydrophobicContact CB-CZ 3.55Å; F552-F632 HydrophobicContact CD1-CD2 4.17Å; F552-F632 AromaticContact CD1-CE2 3.37Å; F552-F632 HydrophobicContact CD1-CE2 3.37Å; F552-F632 AromaticContact CD1-CZ 3.88Å; F552-F632 HydrophobicContact CD1-CZ 3.88Å; F552-F632 HydrophobicContact CD2-CD2 4.27Å; F552-F632 HydrophobicContact CD2-CE2 4.2Å; F552-F632 HydrophobicContact CE1-CE2 4.03Å; F552-F632 HydrophobicContact CG-CD2 4.02Å; F552-F632 AromaticContact CG-CE2 3.5Å; F552-F632 HydrophobicContact CG-CE2 3.5Å; F552-F632 AromaticContact CG-CZ 3.85Å; F552-F632 HydrophobicContact CG-CZ 3.85Å
553Q30.9Very low31.1Very low157 Ų157141.4 Ų141.473%0.73473%0.733SS**  cis-163.2162.8-22.2-145178.97.600111.1
554Q33.1Very low31.1Very low181 Ų181138.5 Ų138.585%0.84673%0.728SS**  trans-90.2144.8164-179.2-17022.900110.5
555P32Very low30.9Very low104 Ų104142.8 Ų142.868%0.67574%0.739SS**  trans-147.3175.7146.241-26.2000116.5
556S32.2Very low30.7Very low107 Ų107144.5 Ų144.575%0.74875%0.747SS**  trans86.1108.6151.4-58.60000120.4
557N25.4Very low30.5Very low152 Ų152148.7 Ų148.781%0.81376%0.757SS**  trans-57.9153.2158.2-60.5-72.2000112.2
558F29.3Very low30.4Very low184 Ų184150 Ų15081%0.80776%0.763SS**  trans-131.797.8145.9-100.4-77000109.8F560F558-F560 HydrophobicContact CD1-CD2 4.04Å; F558-F560 HydrophobicContact CD1-CE2 4.42Å; F558-F560 HydrophobicContact CE1-CD2 4.27Å; F558-F560 HydrophobicContact CE1-CE2 4.22Å
559Q27.5Very low30.5Very low171 Ų171150.8 Ų150.880%0.79976%0.763SS**  trans-75.2134.2148.6-73.3-172.8-61.100107.3
560F31.2Very low30.4Very low173 Ų173154.5 Ų154.576%0.75977%0.77SS**  trans-128.393.2149.6-116.8-73000110F558 N562F558-F560 HydrophobicContact CD1-CD2 4.04Å; F558-F560 HydrophobicContact CD1-CE2 4.42Å; F558-F560 HydrophobicContact CE1-CD2 4.27Å; F558-F560 HydrophobicContact CE1-CE2 4.22Å; F560-N562 PolarHBondContact O-N 3.05Å
561Q27.9Very low30.5Very low168 Ų168155.9 Ų155.979%0.78579%0.786SS**  trans-64117.3162.4172.1-175.81.400108.4
562N31.8Very low30.6Very low151 Ų151155.1 Ų155.181%0.80779%0.785SS**  trans-154.8140.8147.2-107.4-39.4000111.5F560F560-N562 PolarHBondContact O-N 3.05Å
563Q27.5Very low30.6Very low178 Ų178158.5 Ų158.583%0.83281%0.807SS**  trans-135.3-178.6-176-148.6-163.724.500108.2
564P35Very low30.7Very low105 Ų105159 Ų15968%0.68281%0.809SS**  -84.1165.7-108.539.4-29.3000113.9
565Q32.4Very low30.6Very low200 Ų200157.3 Ų157.394%0.93581%0.812SS**  trans-148.9149.2145.1-119.9166.938.400112.7
566Q28.5Very low30.6Very low182 Ų182158.4 Ų158.485%0.8582%0.819SS**  trans-94.3147.1176.8-55.5166.2-2.500109.1
567Q31.9Very low30.8Very low204 Ų204158 Ų15895%0.95382%0.822SS**  trans-164.1161.3132.6-114.1167.914.300113.4
568Q29.4Very low31Very low180 Ų180155.5 Ų155.584%0.84182%0.816SS**  trans-112.5131.8-177.8-60.7163.1-32.400109.7
569Q33.4Very low31.2Very low188 Ų188153.7 Ų153.788%0.87982%0.815SS**  trans-175.7124.6149.1-101.715415.900106.4
570L28Very low31.4Very low164 Ų164153.8 Ų153.886%0.85982%0.816SS**  cis74.478.233.4-149.4149000112.7
571V34.8Very low31.4Very low147 Ų147155.4 Ų155.489%0.89182%0.823SS**  trans-132143.2162.2179.50000107.1
572A30.5Very low31.7Very low73 Ų73155.4 Ų155.460%0.60382%0.822SS**  trans-131.6155.7-170.900000112.9
573N30.7Very low31.9Very low159 Ų159153.2 Ų153.285%0.8582%0.816SS**  trans-155110.5154.2-96.5-24.5000105.6
574Q32.1Very low32Very low167 Ų167152.8 Ų152.878%0.7882%0.815SS**  65.199.657.2-61.3-158.229.700115
575T32Very low32Very low147 Ų147156.9 Ų156.990%0.90282%0.824SS**  -162.8141.3123.62.20000110.7
576P32.3Very low32.1Very low126 Ų126155.2 Ų155.282%0.81882%0.817SS**  trans-123.7156.6-175.641.5-30.9000116.2
577A34.6Very low32.5Very low99 Ų99155.4 Ų155.482%0.81882%0.817SS**  trans-160.6124.215100000106.9
578S29.9Very low32.6Very low99 Ų99150.2 Ų150.269%0.69280%0.804SS**  cis103.3149.342.4-172.10000111.2
579N33.1Very low32.8Very low146 Ų146148.2 Ų148.278%0.78180%0.804SS**  trans74.188.5-176.8-45-2.2000111.7
580Q31.9Very low32.8Very low174 Ų174148 Ų14881%0.81380%0.803SS**  cis71.190.129.5-159.4-172.530.600114.8
581F32Very low33.2Very low206 Ų206148.9 Ų148.990%0.90480%0.802SS**  trans-143.5146144-112.3-83.5000109.8
582H33.2Very low33.1Very low168 Ų168146.8 Ų146.878%0.77879%0.794SS**  trans-145171.3179.6-94.365.6000105.4
583P36.3Very low33.2Very low105 Ų105151.1 Ų151.168%0.68280%0.802SS**  cis-147.1174.527.843.5-23.3000118.8
584Q30.3Very low33.2Very low170 Ų170151.6 Ų151.679%0.79480%0.799SS**  trans29.5120.2142.1-64.3178.2-2100122.6
585Q35.6Very low33.3Very low190 Ų190152.9 Ų152.989%0.88881%0.805SS**  -158.5143111-96.4177.621.700106.9
586Q34.2Very low33.1Very low166 Ų166154.1 Ų154.178%0.77680%0.801SS**  cis130.189.2-7.7-174.2-178.747.200110.9
587Q37Very low33.1Very low185 Ų185157.6 Ų157.686%0.86480%0.803SS**  trans-172.6102.2154-102.3165.127.300106.9
588S33.6Very low33.1Very low95 Ų95157.5 Ų157.566%0.66480%0.797SS**  67.799.691.666.20000113.4
589V33Very low33.5Very low139 Ų139160.4 Ų160.484%0.84280%0.804SS**  68.5120.780173.70000110.2
590Q33.9Very low34.5Very low183 Ų183158.9 Ų158.986%0.85580%0.801SS**  -156.8149.976.7-159.3164.216.100115.5
591Q36Very low35.4Very low183 Ų183156 Ų15686%0.85580%0.798SS**  trans-102.3150172.6-62.9171.7-44.500111.6
592S32Very low36.4Very low103 Ų103151.7 Ų151.772%0.7279%0.79SS**  trans164.2154140.943.80000110.5
593Q33.7Very low37.4Very low164 Ų164149.4 Ų149.477%0.76679%0.791SS**  cis-147.7139.5-3.5-128.5167.298.800111.6
594Q31.4Very low37.7Very low169 Ų169149.9 Ų149.979%0.7979%0.794SS**  trans6.6134146.3-58.8169.1-5.200119.9
595Q32.8Very low38Very low193 Ų193148.4 Ų148.490%0.90280%0.796SS**  -150.7152.5104.3-108.4176.132.300111.4
596Q29.3Very low37.8Very low174 Ų174145.3 Ų145.381%0.81380%0.795SS**  trans-119.1108.2-159.9176-178.2-37.200110.8
597F31.7Very low37.7Very low199 Ų199145.4 Ų145.487%0.87380%0.795SS**  trans-92.4112167.7-94-85.4000110.4L599F597-L599 PolarHBondContact O-N 2.89Å
598S34Very low37.6Very low97 Ų97144.8 Ų144.868%0.67880%0.797SS**PPolyproline II helixtrans-63.6126.5169.8-540000109.9
599L38.7Very low37.7Very low160 Ų160147.8 Ų147.884%0.83880%0.8SS**PPolyproline II helixtrans-65.4137.2170.7-78.680.9000109.5F597F597-L599 PolarHBondContact O-N 2.89Å
600P52.9Low37.6Very low113 Ų113150 Ų15073%0.73480%0.801SS**PPolyproline II helixtrans-69.2148.4173.129.9-34.4000110.7
601P51.2Low37.6Very low114 Ų114150.2 Ų150.274%0.7480%0.804SS**PPolyproline II helixtrans-66.5156.8171.630.1-35.2000111.2
602P53.5Low37.2Very low115 Ų115147.1 Ų147.175%0.74779%0.794SS**PPolyproline II helixtrans-61.6147.317527.1-34.9000111.4
603P54.5Low37.4Very low121 Ų121150.7 Ų150.779%0.78680%0.804SS**PPolyproline II helixtrans-65.8140.1-176.926.9-34.5000111.7
604P42.5Very low37.2Very low115 Ų115150.1 Ų150.175%0.74780%0.801SS**PPolyproline II helixtrans-73.3150.8-177.730.4-35.6000112.6C606P604-C606 PolarHBondContact O-N 2.87Å
605T36.7Very low37.3Very low138 Ų138151.5 Ų151.585%0.84781%0.808SS**  trans-70.9110.517439.90000111.7Q607T605-Q607 PolarHBondContact O-N 3.12Å
606C30.6Very low37.5Very low126 Ų126146.3 Ų146.385%0.85180%0.797SS**  trans-73.992.9172.7-76.10000112.2P604 L608P604-C606 PolarHBondContact O-N 2.87Å; C606-L608 PolarHBondContact O-N 2.04Å
607Q33.2Very low37.6Very low168 Ų168143.6 Ų143.679%0.78579%0.793SS**  trans-76.4101.3152.4-73.8-174.1-18.400108.9T605 H609T605-Q607 PolarHBondContact O-N 3.12Å; Q607-H609 PolarHBondContact O-N 3.4Å
608L34.9Very low37.7Very low171 Ų171141.6 Ų141.690%0.89579%0.791SS**  trans-76.8123.7172.9-162.674.7000110.1C606C606-L608 PolarHBondContact O-N 2.04Å
609H34.7Very low37.7Very low158 Ų158143.9 Ų143.973%0.73180%0.795SS**  trans-76.9147.7-178.6-97.758.4000113.3Q607Q607-H609 PolarHBondContact O-N 3.4Å
610Q31.1Very low37.6Very low185 Ų185141.8 Ų141.886%0.86479%0.791SS**  trans-37.7128.7155.7173-174.590.600112.9
611M34.3Very low36.6Very low189 Ų189140.4 Ų140.493%0.93178%0.784SS**  trans-140.7164.7154.6-137.8-165.2-65.200110.8
612N28.1Very low35.9Very low117 Ų117143.9 Ų143.963%0.62679%0.791SS**  trans-118.3139.1-156.7-177.3-19.4000110.8
613L35.5Very low35Very low178 Ų178143.5 Ų143.593%0.93279%0.786SS**  trans-141.6138.6158.8-140.872.8000110.5
614Q29.8Very low33.9Very low153 Ų153145.3 Ų145.372%0.71578%0.784SS**  trans-108.5146.8-170.9-58.9168.6-11.200111
615Q34.4Very low33.5Very low198 Ų198146.6 Ų146.693%0.92578%0.78SS**  trans144.1140.1158.2-83161.626.400110
616A35.6Very low33.3Very low83 Ų83147.3 Ų147.369%0.68677%0.774SS**  cis-156.3143.9-1400000112.2
617T31Very low33.3Very low118 Ų118147.3 Ų147.372%0.72477%0.765SS**  trans20.1126.715451.20000122.2
618N34.7Very low33.2Very low156 Ų156147.6 Ų147.683%0.83477%0.767SS**  -170163.597.3-95.6-58000113.8
619L34.2Very low33.2Very low146 Ų146145 Ų14576%0.76476%0.76SS**  trans-126.1-170.2-172.6-12271.9000111.1S621L619-S621 WeakPolarHBondContact CD2-OG 3.32Å
620P36.7Very low33.2Very low115 Ų115143.5 Ų143.575%0.74776%0.762SS**  cis-114.6177.14.542.4-30.7000114.5
621S32.3Very low33.2Very low85 Ų85136.7 Ų136.759%0.59474%0.735SS**  cis99.788.2-0.285.70000121L619L619-S621 WeakPolarHBondContact CD2-OG 3.32Å
622Q36.6Very low32.9Very low187 Ų187133 Ų13387%0.87471%0.714SS**  trans-170.2146.3163.4-107.617675.200109.2
623T33.3Very low33.1Very low107 Ų107133.9 Ų133.966%0.65672%0.718SS**  cis-160156.1-12.1-8.30000111.9
624Q30.8Very low32.9Very low158 Ų158133.3 Ų133.374%0.73871%0.711SS**  trans-2.3165.2159.1-56.4176.623.100122.1
625Q35.6Very low32.9Very low142 Ų142135.5 Ų135.566%0.66472%0.722SS**  cis-173.3141.938.4-154.1165.775.300115.3
626Q31.2Very low32.6Very low154 Ų154131.2 Ų131.272%0.7271%0.713SS**  trans50.7159.9147.3-68.5175.77.900122.3
627N31.1Very low32.4Very low125 Ų125134.1 Ų134.167%0.66872%0.722SS**  cis-162.4155.5-12-96.7-13.8000105.7
628Q31.3Very low32.2Very low174 Ų174134.9 Ų134.981%0.81372%0.722SS**  cis142.6142.817.1-169.9176.139.500107.3
629P34.7Very low32.1Very low116 Ų116135.1 Ų135.175%0.75372%0.718SS**  trans-126.2167.1-164.742.6-30.7000119.2
630V35.6Very low31.9Very low127 Ų127135.4 Ų135.477%0.7772%0.715SS**  trans-141.7-174.2179.4-156.80000114.3
631S31Very low31.5Very low43 Ų43139.8 Ų139.830%0.30172%0.718SS.*  -156.9156.9-127.2-42.80000118.7Q550 F552Q550-S631 VanDerWaalsContact CD-C 3.42Å; F552-S631 VanDerWaalsContact CE2-OG 3.31Å; F552-S631 WeakPolarHBondContact CE2-OG 3.34Å; F552-S631 WeakPolarHBondContact CZ-OG 3.33Å
632F28Very low31.7Very low110 Ų110140.6 Ų140.648%0.48272%0.721SS.*  trans60.5146.9165.3-74.8-87.8000120.2Q550 F552Q550-F632 PolarHBondContact OE1-O 2.71Å; F552-F632 HydrophobicContact CB-CD2 4.4Å; F552-F632 HydrophobicContact CB-CE1 4.03Å; F552-F632 HydrophobicContact CB-CE2 3.76Å; F552-F632 HydrophobicContact CB-CZ 3.55Å; F552-F632 HydrophobicContact CD1-CD2 4.17Å; F552-F632 AromaticContact CD1-CE2 3.37Å; F552-F632 HydrophobicContact CD1-CE2 3.37Å; F552-F632 AromaticContact CD1-CZ 3.88Å; F552-F632 HydrophobicContact CD1-CZ 3.88Å; F552-F632 HydrophobicContact CD2-CD2 4.27Å; F552-F632 HydrophobicContact CD2-CE2 4.2Å; F552-F632 HydrophobicContact CE1-CE2 4.03Å; F552-F632 HydrophobicContact CG-CD2 4.02Å; F552-F632 AromaticContact CG-CE2 3.5Å; F552-F632 HydrophobicContact CG-CE2 3.5Å; F552-F632 AromaticContact CG-CZ 3.85Å; F552-F632 HydrophobicContact CG-CZ 3.85Å
633N31.5Very low31.5Very low136 Ų136142 Ų14273%0.72773%0.725SS**  cis-162.7-175.535.3-150.4-13.2000115.3
634Q30.6Very low31.4Very low167 Ų167145.9 Ų145.978%0.7874%0.735SS**  trans-96.2158.2-177.5-50.4174.17.300115.6
635Q31.2Very low31.8Very low199 Ų199143.8 Ų143.893%0.9374%0.738SS**  -176173.5122.3-105178-8.700114.9
636S27.5Very low31.8Very low107 Ų107145.8 Ų145.875%0.74875%0.748SS**  trans-108.5158.1-165.656.70000115.6
637V32.2Very low32.2Very low145 Ų145144 Ų14488%0.87975%0.749SS**  trans-166.5161.5142.4131.10000112.1
638N25.5Very low32.6Very low133 Ų133143.7 Ų143.771%0.71176%0.757SS**  trans-91177.3-174.9-166.64.5000113.5
639H33.2Very low32.7Very low162 Ų162143.3 Ų143.375%0.7576%0.755SS**  trans127.398.1153.5-66.194000118.7
640Q28.8Very low32.8Very low151 Ų151143.9 Ų143.971%0.70676%0.756SS**  55.590.4108.5-159.782.6-0.700122.1
641Y28.3Very low32.7Very low207 Ų207143.9 Ų143.981%0.81275%0.748SS**  trans55.5179139.3-77.6-76.6000121.1
642P37.5Very low33.1Very low102 Ų102149.4 Ų149.466%0.66277%0.769SS**  cis-124.9-176.3-3235.8-19.7000113
643F32Very low33.6Very low217 Ų217148.9 Ų148.995%0.95278%0.777SS**  trans-160.9163136.3-114.4-73.4000112
644Q31.9Very low34Very low188 Ų188149.6 Ų149.688%0.87978%0.779SS**  trans-153.3141.3-161.1177.4-169.353.100113.3
645S38.7Very low34.3Very low114 Ų114147.4 Ų147.480%0.79778%0.779SS**  trans-171.3158.1161.8530000111.2
646Q35.1Very low34.4Very low185 Ų185144.3 Ų144.386%0.86477%0.774SS**  cis-159.5149-36.7-168.6166.97.500108.6
647P39.5Very low34.9Very low116 Ų116145.5 Ų145.575%0.75377%0.772SS**  trans-114.2173.7-166.841.4-34.1000117
648S39.4Very low35.1Very low119 Ų119145.1 Ų145.183%0.83276%0.761SS**  trans-157.9155.9162.6-740000109.2
649Q34.8Very low35.5Very low166 Ų166148.1 Ų148.178%0.77676%0.762SS**  cis178.9177.7-37.6-108.8-67.71.800106.4
650V35.6Very low35.5Very low127 Ų127149.2 Ų149.277%0.7776%0.76SS**  trans78.2129.8177.2-1780000114.5
651Q34.7Very low35.8Very low127 Ų127147.9 Ų147.959%0.59375%0.753SS**  cis-166.9112-13.9-168.970.2100113.4
652Q39.9Very low36.1Very low159 Ų159145.2 Ų145.274%0.74375%0.748SS**  trans76.8166141.4-65.7-167-32.200121.6
653P38.5Very low35.8Very low99 Ų99146.1 Ų146.164%0.64375%0.752SS**  -150.4-163.6-96.932.4-2.6000118.3
654I38.6Very low35.9Very low151 Ų151141.7 Ų141.777%0.77474%0.742SS**  trans77.8137.9153.1-44.5-173.7000118.7
655P37.8Very low35.9Very low121 Ų121140.3 Ų140.379%0.78674%0.741SS**  cis-136.6-157.7-32.443.8-24.7000113.9
656T32.6Very low35.6Very low135 Ų135138.2 Ų138.283%0.82874%0.737SS**  trans-125.8152.6-174-43.30000113.7
657D37.7Very low35.4Very low132 Ų132139.1 Ų139.171%0.70674%0.741SS**  trans-162.9161146.1-136.65.8000107.1
658Q37.9Very low35Very low136 Ų136140.3 Ų140.364%0.63675%0.746SS**  cis-138.6168.59.4-99.6-158.519.100115
659R34.1Very low34.5Very low196 Ų196143.7 Ų143.774%0.7475%0.749SS**  trans5.2148.4139.4-56.5-175.7176.2-167.1-1.1119.6
660R32.4Very low34.4Very low186 Ų186142 Ų14270%0.70275%0.75SS**  cis-172.1142.4-9-115.3-177.5163.7-144.611.7108.7
661Q34.8Very low33.9Very low123 Ų123140.5 Ų140.558%0.57575%0.745SS**  trans58.9147.5140.9-63.1173.3-4100119.6
662Q33.8Very low33.5Very low150 Ų150142.1 Ų142.170%0.70176%0.756SS**  cis-161.7145.5-5.2-118.5169.5-64.100111
663V31.3Very low33.1Very low122 Ų122138.7 Ų138.774%0.73976%0.755SS**  trans55.4121.3152.4-172.80000120.2
664V34.8Very low32.5Very low123 Ų123140.4 Ų140.475%0.74576%0.764SS**  -173.3130.8117.7146.40000110.2
665N31.5Very low32.1Very low160 Ų160139.3 Ų139.386%0.85676%0.763SS**  trans38.3150.4161.4-64.3-2.1000122.9
666G32.3Very low31.6Very low70 Ų70139.6 Ų139.672%0.72276%0.763SS**  trans-157.7-179.5171.800000113.3
667Q32.4Very low31.5Very low203 Ų203137.5 Ų137.595%0.94976%0.76SS**  trans62.5120.7179.4-59.5-159.1-74.500118
668V29.2Very low31.1Very low141 Ų141139.1 Ų139.186%0.85577%0.767SS**  trans-127.6123.8166.5172.50000107.1
669Q29.8Very low30.9Very low190 Ų190139.7 Ų139.789%0.88878%0.78SS**  trans172.596.2145.8-100.1174.96.600111.3
670T32.2Very low30.8Very low130 Ų130134.5 Ų134.580%0.79878%0.779SS**  trans-146.3101.2165.250.30000111.2
671S25.3Very low31Very low96 Ų96131.7 Ų131.767%0.67179%0.785SS**  28.8143.2127.2640000122.3
672I27.6Very low30.8Very low162 Ų162132 Ų13283%0.83180%0.796SS**  trans97.8141.9144.2-70.2151.4000120.2
673A31Very low30.8Very low86 Ų86130.3 Ų130.371%0.71180%0.798SS**  trans83.1130.9156.800000121.7
674V24.9Very low31Very low136 Ų136133 Ų13382%0.82481%0.807SS**  trans-84.4134.2157.4173.50000108.4
675V31.2Very low30.9Very low127 Ų127130.6 Ų130.677%0.7781%0.807SS**  trans-139.3127.8163.3179.90000109.7
676T26.6Very low30.7Very low128 Ų128130.1 Ų130.179%0.78581%0.81SS**  trans-91.3130.1171.3-48.10000109.5
677A31.8Very low30.6Very low91 Ų91132.5 Ų132.575%0.75282%0.816SS**  trans-147.3133.9170.300000111.3
678L28.6Very low30.4Very low165 Ų165131.5 Ų131.586%0.86481%0.811SS**  trans-95.6145.5168.9-60.792.8000109.8
679T33.2Very low30.6Very low148 Ų148133.9 Ų133.991%0.90881%0.813SS**  trans-148.1147153.4-14.90000110.5
680A31.5Very low30.6Very low87 Ų87131.8 Ų131.872%0.71981%0.808SS**  trans-110.9171.4-168.200000112.3
681P36.4Very low30.3Very low127 Ų127129.7 Ų129.783%0.82580%0.797SS**  trans-92.9169.5-163.237.2-36.6000115.3
682T32.3Very low30.6Very low131 Ų131133.7 Ų133.780%0.80481%0.806SS**  trans-134133178-41.50000111.4
683P33.2Very low30.8Very low114 Ų114131.7 Ų131.774%0.7480%0.803SS**  trans-111.7144.6-176.738.4-31.6000116
684L34.7Very low30.9Very low177 Ų177135.9 Ų135.993%0.92781%0.813SS**  trans-137.7157.6156-84.789000107
685G33.3Very low31.2Very low73 Ų73136.6 Ų136.675%0.75381%0.807SS**  cis-176.5154.3-3.200000108.1
686T26.6Very low31.4Very low150 Ų150138.4 Ų138.492%0.9281%0.807SS**  trans-98.7146.6-161.744.90000116.6
687S31.5Very low31.8Very low120 Ų120141 Ų14184%0.83981%0.81SS**  trans-156160.915158.90000111.2
688Q27.1Very low32Very low183 Ų183141.1 Ų141.186%0.85580%0.803SS**  trans-133.2-177-177.7-68.9-173.4-9.800110.7
689Q33.8Very low32.2Very low191 Ų191140 Ų14089%0.89380%0.798SS**  trans88.9151.8175-54.6174.5200116.3
690N29.9Very low32.2Very low146 Ų146137.9 Ų137.978%0.78179%0.785SS**  cis-162.3160.6-38.1-159.813.6000111.1
691C26.5Very low32.2Very low85 Ų85140.5 Ų140.557%0.57479%0.787SS**  trans51116.4158.7-75.50000124.8
692Q30.9Very low32.1Very low181 Ų181139.6 Ų139.685%0.84678%0.779SS**  69.7143.9125.4-66175.6-60.300123.9
693P32.3Very low32.2Very low119 Ų119139.4 Ų139.477%0.77378%0.778SS**  trans-115.6169.8179.443-34.5000115.9
694L32.4Very low32.2Very low175 Ų175140.8 Ų140.892%0.91678%0.78SS**  trans-149.4176.8161-131.9107.4000113.8
695Q31.8Very low32.4Very low151 Ų151137.9 Ų137.971%0.70677%0.771SS**  trans-99.2-179.6-151.4-53.3173.2-15.700117.8
696Q34.6Very low32.4Very low164 Ų164137.9 Ų137.977%0.76677%0.771SS**  trans78.6155.6158.2-63.5162.440.600117.8
697Q35.7Very low32.8Very low183 Ų183137.5 Ų137.586%0.85576%0.764SS**  cis-161.2-179.1-45.5-118.1-152.1-40.100107.4
698P35Very low33Very low93 Ų93137.3 Ų137.360%0.60475%0.753SS**  trans-115-162.9-142.645.3-37.4000117
699N33Very low33.3Very low141 Ų141134.6 Ų134.675%0.75474%0.744SS**  trans88.1145.2170.4-59.9-14.8000115.8
700T34.1Very low33.3Very low105 Ų105132.7 Ų132.764%0.64474%0.74SS**  cis-167.7152.4-6.618.10000110.1
701N32Very low33.4Very low141 Ų141133.3 Ų133.375%0.75474%0.744SS**  trans55.1152.6142.4-63.7-0.3000120.4
702T33.7Very low33.6Very low108 Ų108137.1 Ų137.166%0.66376%0.757SS**  cis-168.6163.5-1.915.40000110.1
703T34.2Very low33.6Very low128 Ų128136.5 Ų136.579%0.78576%0.76SS**  trans63.9150.6151.147.40000120.5
704N33.3Very low33.5Very low143 Ų143135.3 Ų135.377%0.76575%0.754SS**  cis-156.7-154.9-23.4-156.26.9000109.8
705P37.9Very low33.5Very low116 Ų116130.8 Ų130.875%0.75375%0.75SS**  -112.9173.7-125.938.8-21000117.2
706G33.6Very low33.5Very low73 Ų73130.4 Ų130.475%0.75375%0.753SS**  trans-153.433-168.200000121.1
707N34.9Very low33.2Very low142 Ų142127.2 Ų127.276%0.75976%0.755SS**  trans70.5155.7153.9-151.615.3000122.3
708N35.4Very low32.8Very low115 Ų115125.4 Ų125.462%0.61575%0.75SS**  trans7789.7161.2-64.9-39.4000122.9
709N33.9Very low32.4Very low126 Ų126128.4 Ų128.467%0.67476%0.76SS**  64.3102.4113.6-59.2-5.5000122.5
710N34.3Very low32.3Very low151 Ų151127.8 Ų127.881%0.80776%0.755SS**  146.6146.8105.4-81.1-15.3000116.3
711N31.8Very low31.8Very low159 Ų159126.8 Ų126.885%0.8576%0.757SS**  trans59101.1173.3-81.22.2000119.1
712L31.7Very low31.7Very low165 Ų165125 Ų12586%0.86476%0.755SS**  trans-72.9136.1156.4-70.165.6000109.8
713N30.5Very low31.4Very low168 Ų168127 Ų12790%0.89876%0.762SS**  -158.5102.1125-153-2.5000109.5
714S30.6Very low31.2Very low94 Ų94128.8 Ų128.866%0.65777%0.767SS**  trans-144.2102.2-174.760.30000111.9
715G30.8Very low30.9Very low80 Ų80133.1 Ų133.183%0.82577%0.773SS**  trans-123.657.5168.700000109.5
716N32.3Very low30.4Very low143 Ų143134.2 Ų134.277%0.76578%0.781SS**  trans-70.9139.5-166-73-9.5000112.8L718N716-L718 PolarHBondContact O-N 3.11Å
717A27.8Very low30.1Very low97 Ų97138.7 Ų138.780%0.80279%0.787SS**  trans-61.3124.7163.800000110.1
718L27.8Very low29.8Very low145 Ų145137.1 Ų137.176%0.75979%0.788SS**  trans-99.191.3178.5-166.469.4000110.9N716 I720N716-L718 PolarHBondContact O-N 3.11Å; L718-I720 HydrophobicContact CD2-CD1 3.82Å; L718-I720 HydrophobicContact CD2-CG1 3.85Å; L718-I720 HydrophobicContact CG-CD1 4.38Å; L718-I720 HydrophobicContact CG-CG1 3.84Å; L718-I720 PolarHBondContact O-N 3.28Å; L718-I720 VanDerWaalsContact O-N 3.1Å
719I26.8Very low29.4Very low157 Ų157140.2 Ų140.281%0.80580%0.8SS**  trans-70.998.9166.4-59.9172.4000107.8A721I719-A721 PolarHBondContact O-N 3.12Å
720I30.2Very low28.9Very low127 Ų127139.5 Ų139.565%0.65181%0.805SS**  trans-87.894166.7-56-174.2000108.6L718 S722L718-I720 HydrophobicContact CD2-CD1 3.82Å; L718-I720 HydrophobicContact CD2-CG1 3.85Å; L718-I720 HydrophobicContact CG-CD1 4.38Å; L718-I720 HydrophobicContact CG-CG1 3.84Å; L718-I720 PolarHBondContact O-N 3.28Å; L718-I720 VanDerWaalsContact O-N 3.1Å; I720-S722 PolarHBondContact O-N 2.68Å
721A25.3Very low28.8Very low84 Ų84138.3 Ų138.369%0.69481%0.806SS**  trans-85.997.6165.200000109.7I719 N723I719-A721 PolarHBondContact O-N 3.12Å; A721-N723 PolarHBondContact O-N 3.34Å
722S30.1Very low28.6Very low103 Ų103137.4 Ų137.472%0.7281%0.807SS**  trans-95.985.7174.541.50000111.3I720 N724I720-S722 PolarHBondContact O-N 2.68Å; S722-N724 PolarHBondContact O-N 2.87Å
723N26.5Very low28.6Very low151 Ų151135 Ų13581%0.80780%0.804SS**  trans-59.8125.7167.2-79.4-47.8000110.5A721A721-N723 PolarHBondContact O-N 3.34Å
724N30.5Very low28.4Very low166 Ų166135.3 Ų135.389%0.88880%0.803SS**  trans-153.9118.8152.4-100.1-35.6000110.4S722S722-N724 PolarHBondContact O-N 2.87Å
725R27.1Very low28.4Very low234 Ų234134 Ų13488%0.88381%0.805SS**  trans-92.1134.9170.8-71.8-179.5174.5-175.9-1.3109.4
726C27.7Very low28.3Very low138 Ų138136.4 Ų136.493%0.93280%0.803SS**  trans-140.4127.6145.8-94.50000108.9
727L26.6Very low28.5Very low167 Ų167136.9 Ų136.987%0.87481%0.806SS**  trans-101.7135.9172.3-71.1160.9000108.2
728S28.1Very low29Very low110 Ų110137.1 Ų137.177%0.76980%0.802SS**  trans-162.7116.5141.8-159.50000113
729M28.3Very low29.6Very low179 Ų179136.9 Ų136.988%0.88280%0.801SS**  trans39.2109.3143.6-62.3-176.6160.900120.6
730S23.3Very low31.2Very low111 Ų111133 Ų13378%0.77679%0.785SS**  trans-63.3163.5147.3-32.40000111.4
731P31.4Very low32.1Very low127 Ų127133.9 Ų133.983%0.82579%0.786SS**  -128.3150.3121.436.4-31.7000113.1
732T26.7Very low33.4Very low140 Ų140132.9 Ų132.986%0.85978%0.778SS**  trans-91.1126.5172.348.20000111
733S31.5Very low34.8Very low115 Ų115132 Ų13280%0.80476%0.764SS**  trans-151132.1157.957.50000112.2
734I27.6Very low36.4Very low174 Ų174130.8 Ų130.889%0.89275%0.754SS**  trans-59.3140.2173.3-63.8150000110.3
735G30.5Very low38.1Very low67 Ų67128.8 Ų128.869%0.69174%0.739SS**  trans-163.3130.5170.500000110.8
736T29.3Very low39.9Very low129 Ų129120.6 Ų120.679%0.79172%0.722SS**  trans-123.699.8-177.950.70000110.2
737D34.9Very low41.4Very low153 Ų153117.1 Ų117.182%0.81870%0.703SS**  trans-133.2117.7172.4-72.1-70.2000107.6
738S38.1Very low43.3Very low102 Ų102115.3 Ų115.371%0.71369%0.691SS**  73.980.572.3-163.40000111.2
739L41.4Very low45Very low141 Ų141113 Ų11374%0.73868%0.68SS**  trans-58134.1168.5-82.6169.4000109.6D743L739-D743 HydrophobicContact CD2-CB 4.23Å
740T60.3Low46.2Very low76 Ų76111.1 Ų111.147%0.46667%0.672SS.*  trans-81158-173.969.30000111.6A742 D743 Q744T740-A742 PolarHBondContact O-N 3Å; T740-A742 VanDerWaalsContact O-N 3.13Å; T740-D743 PolarHBondContact N-OD2 2.95Å; T740-D743 WeakPolarHBondContact O-CB 3.33Å; T740-D743 PolarHBondContact O-N 2.84Å; T740-D743 PolarHBondContact OG1-OD2 3.3Å; T740-Q744 PolarHBondContact O-N 2.84Å
741E49.2Very low47.8Very low145 Ų145111.5 Ų111.568%0.67867%0.665SS**Hα-helixtrans-58-26.8176.7-166174.8169.800112.2Q744 Q745E741-Q744 PolarHBondContact O-N 2.88Å; E741-Q745 WeakPolarHBondContact O-CG 3.48Å; E741-Q745 PolarHBondContact O-N 2.81Å
742A52.6Low48.8Very low63 Ų63107.6 Ų107.652%0.52164%0.643SS.*Hα-helixtrans-65.7-37.9173.700000113.1T740 Q745 A746T740-A742 PolarHBondContact O-N 3Å; T740-A742 VanDerWaalsContact O-N 3.13Å; A742-Q745 PolarHBondContact O-N 2.77Å; A742-A746 WeakPolarHBondContact O-CB 3.34Å; A742-A746 PolarHBondContact O-N 2.98Å
743D59.5Low50Low83 Ų83104.3 Ų104.344%0.44463%0.63SS.*Hα-helixtrans-67.9-38177-59.4-64.2000111L739 T740 A746 A747L739-D743 HydrophobicContact CD2-CB 4.23Å; T740-D743 PolarHBondContact N-OD2 2.95Å; T740-D743 WeakPolarHBondContact O-CB 3.33Å; T740-D743 PolarHBondContact O-N 2.84Å; T740-D743 PolarHBondContact OG1-OD2 3.3Å; D743-A746 PolarHBondContact O-N 3.45Å; D743-A747 WeakPolarHBondContact O-CB 3.44Å; D743-A747 PolarHBondContact O-N 2.87Å
744Q59.6Low50.7Low127 Ų127102.4 Ų102.459%0.59362%0.622SS**Hα-helixtrans-66.4-41.4173-71.2-168.2-11.700112.1T740 E741 A747 M748T740-Q744 PolarHBondContact O-N 2.84Å; E741-Q744 PolarHBondContact O-N 2.88Å; Q744-A747 PolarHBondContact O-N 2.95Å; Q744-M748 WeakPolarHBondContact O-CB 3.27Å; Q744-M748 PolarHBondContact O-N 3.47Å
745Q67.4Low51.7Low123 Ų12399 Ų9958%0.57561%0.609SS**Hα-helixtrans-66.1-38.7175.3-73.8-178.3400112.3E741 A742 M748 A749E741-Q745 WeakPolarHBondContact O-CG 3.48Å; E741-Q745 PolarHBondContact O-N 2.81Å; A742-Q745 PolarHBondContact O-N 2.77Å; Q745-M748 PolarHBondContact O-N 3.3Å; Q745-A749 WeakPolarHBondContact O-CB 3.33Å; Q745-A749 PolarHBondContact O-N 3.46Å
746A63.9Low52.4Low63 Ų63103.9 Ų103.952%0.52161%0.614SS.*Hα-helixtrans-62.4-44.6174.800000112A742 D743 M748 A749 L750A742-A746 WeakPolarHBondContact O-CB 3.34Å; A742-A746 PolarHBondContact O-N 2.98Å; D743-A746 PolarHBondContact O-N 3.45Å; A746-M748 VanDerWaalsContact C-N 3.35Å; A746-M748 PolarHBondContact O-N 2.92Å; A746-A749 PolarHBondContact O-N 2.84Å; A746-L750 PolarHBondContact O-N 3.14Å
747A59.1Low52.8Low64 Ų64101 Ų10153%0.52961%0.61SS.*Hα-helixtrans-62.7-40.1174.900000112.3D743 Q744 L750 L751D743-A747 WeakPolarHBondContact O-CB 3.44Å; D743-A747 PolarHBondContact O-N 2.87Å; Q744-A747 PolarHBondContact O-N 2.95Å; A747-L750 PolarHBondContact O-N 2.86Å; A747-L751 PolarHBondContact O-N 2.79Å; A747-L751 VanDerWaalsContact O-N 3.11Å
748M65.9Low52.9Low129 Ų129101.8 Ų101.864%0.63561%0.61SS**Hα-helixtrans-69.9-38179.6-146.2172.6-56.800112.3Q744 Q745 A746 L751 A752Q744-M748 WeakPolarHBondContact O-CB 3.27Å; Q744-M748 PolarHBondContact O-N 3.47Å; Q745-M748 PolarHBondContact O-N 3.3Å; A746-M748 VanDerWaalsContact C-N 3.35Å; A746-M748 PolarHBondContact O-N 2.92Å; M748-L751 PolarHBondContact O-N 3.17Å; M748-A752 PolarHBondContact O-N 3.01Å
749A63.6Low52.6Low63 Ų63104.5 Ų104.552%0.52162%0.617SS.*Hα-helixtrans-67-39.5174.700000112.4Q745 A746 L751 A752 A753Q745-A749 WeakPolarHBondContact O-CB 3.33Å; Q745-A749 PolarHBondContact O-N 3.46Å; A746-A749 PolarHBondContact O-N 2.84Å; A749-L751 VanDerWaalsContact C-N 3.32Å; A749-L751 PolarHBondContact O-N 3.16Å; A749-A752 PolarHBondContact O-N 3.11Å; A749-A753 WeakPolarHBondContact O-CB 3.46Å; A749-A753 PolarHBondContact O-N 3.13Å
750L55.5Low52.2Low139 Ų139103.7 Ų103.773%0.72862%0.618SS**Hα-helixtrans-64.7-37.7175.5-155.992.8000111.6A746 A747 A754A746-L750 PolarHBondContact O-N 3.14Å; A747-L750 PolarHBondContact O-N 2.86Å; L750-A754 WeakPolarHBondContact O-CB 3.2Å; L750-A754 PolarHBondContact O-N 3.03Å; L750-A754 VanDerWaalsContact O-N 3.08Å
751L56Low50.8Low119 Ų119109.9 Ų109.962%0.62364%0.639SS**Hα-helixtrans-67.5-41176.3-169.666.6000111.9A747 M748 A749 A754 T755A747-L751 PolarHBondContact O-N 2.79Å; A747-L751 VanDerWaalsContact O-N 3.11Å; M748-L751 PolarHBondContact O-N 3.17Å; A749-L751 VanDerWaalsContact C-N 3.32Å; A749-L751 PolarHBondContact O-N 3.16Å; L751-A754 PolarHBondContact O-N 3.42Å; L751-T755 PolarHBondContact O-N 3.33Å; L751-T755 PolarHBondContact O-OG1 2.94Å
752A52Low49.9Very low44 Ų44114.6 Ų114.636%0.36465%0.65SS.*Hα-helixtrans-62.4-46.7174.800000111.9M748 A749 A754 T755 E756M748-A752 PolarHBondContact O-N 3.01Å; A749-A752 PolarHBondContact O-N 3.11Å; A752-A754 PolarHBondContact O-N 3.11Å; A752-T755 WeakPolarHBondContact CA-OG1 3.39Å; A752-T755 PolarHBondContact O-N 3.1Å; A752-T755 PolarHBondContact O-OG1 3.44Å; A752-E756 PolarHBondContact O-N 3.1Å
753A52.6Low49Very low71 Ų71119.7 Ų119.759%0.58766%0.663SS**Hα-helixtrans-61.4-30.7176.100000113A749 T755A749-A753 WeakPolarHBondContact O-CB 3.46Å; A749-A753 PolarHBondContact O-N 3.13Å; A753-T755 VanDerWaalsContact C-N 3.33Å
754A46.3Very low47.7Very low76 Ų76122.5 Ų122.563%0.62868%0.678SS**Hα-helixtrans-73-21.4173.700000113.6L750 L751 A752L750-A754 WeakPolarHBondContact O-CB 3.2Å; L750-A754 PolarHBondContact O-N 3.03Å; L750-A754 VanDerWaalsContact O-N 3.08Å; L751-A754 PolarHBondContact O-N 3.42Å; A752-A754 PolarHBondContact O-N 3.11Å
755T49Very low46.4Very low101 Ų101123.1 Ų123.162%0.6268%0.681SS**Hα-helixtrans-91.4-20.2179.847.90000115.1L751 A752 A753L751-T755 PolarHBondContact O-N 3.33Å; L751-T755 PolarHBondContact O-OG1 2.94Å; A752-T755 WeakPolarHBondContact CA-OG1 3.39Å; A752-T755 PolarHBondContact O-N 3.1Å; A752-T755 PolarHBondContact O-OG1 3.44Å; A753-T755 VanDerWaalsContact C-N 3.33Å
756E44.3Very low44.9Very low171 Ų171123.4 Ų123.480%0.79969%0.692SS**SBendtrans-91.9-1.6-175.7-66.2-176.5169.700114.2A752A752-E756 PolarHBondContact O-N 3.1Å
757G38.2Very low43.2Very low68 Ų68126.7 Ų126.770%0.70171%0.705SS**SBendtrans-93.911.9-17100000117.7
758M37Very low42.1Very low170 Ų170128.7 Ų128.784%0.83771%0.713SS**SBendtrans-125.36.1-159.2-158.1143.3178.600117.7
759D32.3Very low40.3Very low159 Ų159127.5 Ų127.585%0.8572%0.717SS**SBendtrans-12528.9-170.4-89.2-51.5000116.2
760T32.3Very low38.8Very low123 Ų123129.5 Ų129.576%0.75573%0.728SS**  trans-130.240.9-173.456.30000116.7
761F31.1Very low37.6Very low206 Ų206130.2 Ų130.290%0.90473%0.731SS**SBendtrans-14930.3174.9-112.1-64.3000118.7
762R29.7Very low36.6Very low245 Ų245132.5 Ų132.593%0.92574%0.739SS**  trans-157.175.7174.3-145.7-174.374.9132.14.3118.9
763E32.8Very low35.6Very low170 Ų170135.2 Ų135.279%0.79476%0.755SS**  trans-145.8150.1158.2-154.5164.8-163.900114.3
764N32.1Very low34.8Very low142 Ų142137.7 Ų137.776%0.75977%0.765SS**  trans95.3118.2-170.6-65.1-26.2000116.1
765Q33.9Very low34.4Very low140 Ų140140.4 Ų140.465%0.65477%0.768SS**  cis177.9133.5-30.1-109.3179.525.700105.7
766T35.3Very low33.7Very low129 Ų129141.4 Ų141.479%0.79178%0.776SS**  trans50.9113.4153.554.30000122.6
767T28.8Very low33Very low131 Ų131139 Ų13980%0.80477%0.767SS**  trans-57.8177.5150.648.50000115.3
768P34.9Very low32.9Very low107 Ų107142.8 Ų142.870%0.69578%0.776SS**  cis-138179.2-30.132-12.1000114.7
769S27.7Very low32.7Very low103 Ų103141.1 Ų141.172%0.7277%0.771SS**  trans127.1140135.5-54.30000118.8
770S32.8Very low32.6Very low106 Ų106139.2 Ų139.274%0.74176%0.761SS**  trans87.3126.7148.478.40000122.2
771L31.2Very low32.6Very low153 Ų153139.5 Ų139.580%0.80176%0.758SS**  trans75.1124.5141.1-67.9163.1000123
772Q33.5Very low32.6Very low168 Ų168136.9 Ų136.979%0.78575%0.751SS**  trans80.8133.9146.7-11661.8-1.100123
773S31.7Very low32.7Very low101 Ų101130.9 Ų130.971%0.70675%0.747SS**  trans-101-179.3179.566.50000109.9
774P36.8Very low32.4Very low123 Ų123134.1 Ų134.180%0.79975%0.752SS**  cis-144.1-168.238.241.6-18.6000117.7
775I37Very low32.3Very low133 Ų133135.2 Ų135.268%0.68276%0.757SS**  trans-100.4168.9-169.3-16.3176.2000112.5I777I775-I777 HydrophobicContact CB-CG1 4.32Å; I775-I777 HydrophobicContact CD1-CG1 4.46Å; I775-I777 HydrophobicContact CG2-CG1 4.41Å
776P34.4Very low32Very low121 Ų121135.1 Ų135.179%0.78676%0.761SS**  -135.9138.1100.136.9-26.1000112.6
777I29Very low31.8Very low120 Ų120134.6 Ų134.662%0.61576%0.763SS**  69.3106.859.7-58.4171.3000114I775I775-I777 HydrophobicContact CB-CG1 4.32Å; I775-I777 HydrophobicContact CD1-CG1 4.46Å; I775-I777 HydrophobicContact CG2-CG1 4.41Å
778V37Very low31.6Very low148 Ų148134.2 Ų134.290%0.89776%0.764SS**  trans-137.3146.1141.9-176.90000108.3
779N33.4Very low31.6Very low135 Ų135137.3 Ų137.372%0.72277%0.774SS**  trans-83.4-177.8-167.1-64.6-31.3000114.7
780N29.2Very low31.6Very low120 Ų120139.3 Ų139.364%0.64278%0.776SS**  cis174.2173.8-42.2-162.43.7000107.4
781N33Very low31.5Very low129 Ų129141 Ų14169%0.6978%0.783SS**  trans75.2119.4172.5-43.3-27.8000113.9
782I30.1Very low31.4Very low150 Ų150139.1 Ų139.177%0.76978%0.778SS**  cis70.5104.445.3-52169.7000113.3
783S32.1Very low31.4Very low119 Ų119137.8 Ų137.883%0.83278%0.781SS**  trans-169.9145.6137.1-81.90000111.4
784R26.5Very low31.3Very low238 Ų238140 Ų14090%0.89879%0.785SS**  trans-79.2147.6165.3-66.4169.1166.5155.8-7.6109.3
785L29.8Very low31.1Very low166 Ų166140.5 Ų140.587%0.86979%0.786SS**  -163.6166.6127.3-133.165.6000112.9
786D27Very low30.8Very low138 Ų138139.4 Ų139.474%0.73879%0.785SS**  trans-79.4-176.8-164.7-54.5-92.8000116.4
787S32.4Very low30.8Very low118 Ų118140.7 Ų140.783%0.82579%0.786SS**  trans102.8118.9148.975.40000118.1
788C24.1Very low30.9Very low123 Ų123141 Ų14183%0.83179%0.793SS**  trans-79.6146.6166.6-43.30000109.8
789L34.4Very low30.7Very low172 Ų172140 Ų14090%0.90179%0.788SS**  trans-152.9147.2145.6-139.188.7000111.6
790N27.4Very low30.7Very low144 Ų144140.6 Ų140.677%0.7779%0.791SS**  trans-69.3155.4172.7-65.8-44.2000111.6
791T32.4Very low31Very low143 Ų143142.7 Ų142.788%0.87780%0.802SS**  -155.6129.4126-75.50000110.9
792T28.2Very low30.9Very low113 Ų113143.2 Ų143.269%0.69381%0.805SS**  trans-79.7144.2-178.9-45.30000112.3
793T33.8Very low31.1Very low140 Ų140143 Ų14386%0.85981%0.805SS**  trans-162.4147.213412.70000113.5
794N28.6Very low31Very low146 Ų146143.8 Ų143.878%0.78180%0.8SS**  trans-71.2161.3172.2-63.1-36.3000110.7
795T34.2Very low31.2Very low134 Ų134140 Ų14082%0.82280%0.798SS**  -167153.679.3-62.20000112.4
796T30.7Very low31.2Very low110 Ų110139.9 Ų139.968%0.67580%0.798SS**  trans-69147.5-17651.40000114.9
797N33.7Very low31.4Very low149 Ų149137.9 Ų137.980%0.79780%0.8SS**  -174.1158.7108-90-15.5000114.3
798T30.2Very low31.3Very low126 Ų126141.5 Ų141.577%0.77381%0.805SS**  trans-42.9149.3172.544.50000114.5
799T34.4Very low32Very low127 Ų127141.2 Ų141.278%0.77980%0.798SS**  -164.7158.472.6-57.10000112.4
800N31.9Very low31.8Very low148 Ų148138.8 Ų138.879%0.79179%0.793SS**  trans-46139.4177.7-57.6-23.8000115.3
801N35.1Very low32.4Very low163 Ų163137.6 Ų137.687%0.87279%0.791SS**  -159.4161.2126.4-113.3-34000112.6
802N32.1Very low32.7Very low140 Ų140136.4 Ų136.475%0.74978%0.779SS**  trans-86.3168.3-172.4-68.7-31.7000114.1
803N33.5Very low33.5Very low145 Ų145137.6 Ų137.678%0.77578%0.777SS**  trans102.4130.4157-55.2-24.5000117.5
804N30.8Very low34.1Very low137 Ų137136.4 Ų136.473%0.73377%0.765SS**  trans44.1100.3149.6-56.3-3.2000117.9
805N30.8Very low35.1Very low157 Ų157134.2 Ų134.284%0.8475%0.754SS**  -178.8126.5107.6-86.5-26.1000110.8
806N30.2Very low35.7Very low165 Ų165129.5 Ų129.588%0.88273%0.725SS**  trans-158.6113152.2-105.9-35000107.9
807A29.7Very low36.6Very low95 Ų95125.9 Ų125.979%0.78570%0.703SS**  trans-67.1133.3174.900000109.3V809A807-V809 PolarHBondContact O-N 3.03Å; A807-V809 VanDerWaalsContact O-N 3.16Å
808Q31.8Very low37.1Very low195 Ų195124.3 Ų124.391%0.91170%0.702SS**  trans-69111.6164.5-71.6179.8-102.800107.6
809V38.3Very low37.6Very low116 Ų116118.8 Ų118.870%0.70367%0.669SS**PPolyproline II helixtrans-58.6132.9162.2-179.20000107.1A807 V811A807-V809 PolarHBondContact O-N 3.03Å; A807-V809 VanDerWaalsContact O-N 3.16Å; V809-V811 PolarHBondContact O-N 2.97Å; V809-V811 VanDerWaalsContact O-N 3.13Å
810P30.6Very low37.9Very low122 Ų122116.1 Ų116.179%0.79265%0.646SS**PPolyproline II helixtrans-58.3119.1171.2-21.533.2000109.3
811V40.3Very low38Very low118 Ų118115.6 Ų115.672%0.71564%0.643SS**PPolyproline II helixtrans-93.2123.1169.2-178.90000106.1V809 E813V809-V811 PolarHBondContact O-N 2.97Å; V809-V811 VanDerWaalsContact O-N 3.13Å; V811-E813 PolarHBondContact O-N 3.38Å; V811-E813 VanDerWaalsContact O-N 3.11Å
812D39.2Very low38.1Very low119 Ų119113.7 Ų113.764%0.63663%0.629SS**PPolyproline II helixtrans-54.1116.2172.1-81.1-50.3000109.9D814 N815D812-D814 PolarHBondContact O-N 2.84Å; D812-D814 VanDerWaalsContact O-N 3.12Å; D812-N815 PolarHBondContact O-N 3.31Å
813E45Very low37.9Very low138 Ų138111.7 Ų111.765%0.64563%0.631SS**THydrogen-bonded Turntrans-63.8-21.6-171.7-71.2-165.5110.900113R101 K198 V811R101-E813 IonicContact NH2-OE1 2.76Å; R101-E813 PolarHBondContact NH2-OE1 3.2Å; K198-E813 PolarHBondContact NZ-O 3.33Å; V811-E813 PolarHBondContact O-N 3.38Å; V811-E813 VanDerWaalsContact O-N 3.11Å
814D45.1Very low37.7Very low115 Ų115113.1 Ų113.162%0.61564%0.637SS**THydrogen-bonded Turntrans-83-18.2-177.3-72.4-58.9000115.1D812D812-D814 PolarHBondContact O-N 2.84Å; D812-D814 VanDerWaalsContact O-N 3.12Å
815N48.9Very low37.5Very low100 Ų100109.1 Ų109.154%0.53563%0.628SS.*SBendtrans-80.6146.1-178.3-86.9-65.4000112.9D812D812-N815 PolarHBondContact O-N 3.31Å
816P48.7Very low37.2Very low35 Ų35110.3 Ų110.323%0.22763%0.633CS.*PPolyproline II helixtrans-67.7143172.429.5-34.9000110.6P48P48-P816 HydrophobicContact CG-CG 4.25Å
817P47.9Very low37.2Very low33 Ų33108.8 Ų108.821%0.21462%0.624CS.*PPolyproline II helixtrans-63.1130.5-173.222.7-32.2000112.1W96 H135 G819W96-P817 HydrophobicContact CH2-CG 4Å; W96-P817 HydrophobicContact CZ3-CG 3.96Å; H135-P817 WeakPolarHBondContact NE2-CG 3.38Å; P817-G819 PolarHBondContact O-N 3.47Å; P817-G819 VanDerWaalsContact O-N 3.11Å
818P44.4Very low37.1Very low117 Ų117111.7 Ų111.776%0.7662%0.621SS**SBendtrans-76.998.5179.930.3-33.9000110.6
819G41.3Very low36.9Very low9 Ų9108.6 Ų108.69%0.09361%0.611CS.*  trans176.851.5175.500000115.8V151 C153 P817V151-G819 CarbonylContact O-C 3.49Å; V151-G819 WeakPolarHBondContact O-CA 3.45Å; C153-G819 PolarHBondContact N-O 3.33Å; C153-G819 VanDerWaalsContact N-O 3.12Å; P817-G819 PolarHBondContact O-N 3.47Å; P817-G819 VanDerWaalsContact O-N 3.11Å
820Y39.7Very low36.5Very low72 Ų72109.7 Ų109.728%0.28261%0.613SS.*  trans-142.264.3-178.8-112.3-68.4000113.1C153 N155C153-Y820 WeakPolarHBondContact O-CE2 3.39Å; C153-Y820 PolarHBondContact O-OH 3.44Å; C153-Y820 VanDerWaalsContact O-OH 3.05Å; N155-Y820 HydrophobicContact CB-CE2 4.4Å; N155-Y820 WeakPolarHBondContact CB-OH 3.04Å; N155-Y820 VanDerWaalsContact CG-CE2 3.45Å; N155-Y820 VanDerWaalsContact CG-OH 3.3Å; N155-Y820 PolarHBondContact N-OH 2.99Å; N155-Y820 WeakPolarHBondContact ND2-CE2 3.42Å; N155-Y820 PolarHBondContact ND2-OH 3.06Å
821D35.7Very low36.5Very low137 Ų137113.2 Ų113.273%0.73362%0.616SS**  trans-99.155.9166.2-89.9-25.4000110.5
822E37.2Very low36Very low123 Ų123116.2 Ų116.258%0.57563%0.625SS**  trans-120.2127.7178.4-68.8-150.4134.100113.4V152V152-E822 HydrophobicContact CG1-CG 3.98Å
823A27.7Very low35.6Very low98 Ų98117.5 Ų117.581%0.8163%0.632SS**  trans54.264.4157.800000118.5G825A823-G825 VanDerWaalsContact C-N 3.31Å; A823-G825 PolarHBondContact O-N 3.04Å
824I29.1Very low34.9Very low175 Ų175118.1 Ų118.190%0.89764%0.639SS**  trans-64.2102.9139.1-65.9-177.7000106.8
825G27.2Very low34.5Very low52 Ų52119.3 Ų119.354%0.53665%0.65SS.*  trans-61.4143.9177.200000111.9A823 I827A823-G825 VanDerWaalsContact C-N 3.31Å; A823-G825 PolarHBondContact O-N 3.04Å; G825-I827 PolarHBondContact O-N 3.24Å
826L24Very low33.5Very low182 Ų182122.3 Ų122.395%0.95367%0.666SS**  trans-64.289.7178.5-72.9161000111.5Q828L826-Q828 PolarHBondContact O-N 2.75Å; L826-Q828 VanDerWaalsContact O-N 3.14Å
827I30.7Very low32.7Very low133 Ų133129.1 Ų129.168%0.68270%0.697SS**  trans-7697.3160.6-57.5-177.7000107.2G825 N829G825-I827 PolarHBondContact O-N 3.24Å; I827-N829 PolarHBondContact O-N 3.25Å
828Q26.1Very low31.9Very low157 Ų157132 Ų13273%0.73472%0.723SS**  trans-72.378.4176.6-171.1179.314.200110.1L826 N830L826-Q828 PolarHBondContact O-N 2.75Å; L826-Q828 VanDerWaalsContact O-N 3.14Å; Q828-N830 PolarHBondContact O-N 3.02Å
829N29Very low31.1Very low130 Ų130134.4 Ų134.470%0.69573%0.727SS**  trans-65.495.6175.4-93.1-1.6000110.5I827 F831I827-N829 PolarHBondContact O-N 3.25Å; N829-F831 PolarHBondContact O-N 3.47Å
830N29Very low30.6Very low139 Ų139142 Ų14274%0.74376%0.762SS**  trans-71.564.5169.6-77.5-34.3000111Q828Q828-N830 PolarHBondContact O-N 3.02Å
831F31.1Very low30.1Very low195 Ų195146.5 Ų146.586%0.85579%0.787SS**  trans-118.945.4173.3-105.4-80.6000111.4N829 N833N829-F831 PolarHBondContact O-N 3.47Å; F831-N833 PolarHBondContact O-N 2.76Å; F831-N833 VanDerWaalsContact O-N 3.16Å
832M29.1Very low29.8Very low182 Ų182144.7 Ų144.790%0.89778%0.778SS**  trans-70103.7157.6-79.9-159.7-17400109.2
833N31.7Very low29.4Very low146 Ų146146.1 Ų146.178%0.78180%0.795SS**SBendtrans-171.6119.1134.3-95.6-40.2000111.8F831F831-N833 PolarHBondContact O-N 2.76Å; F831-N833 VanDerWaalsContact O-N 3.16Å
834N29.9Very low29.4Very low151 Ų151148.2 Ų148.281%0.80779%0.79SS**  trans50.375.8156.6-64.8-35.5000119.6
835V36Very low29.5Very low140 Ų140146.5 Ų146.585%0.84879%0.787SS**  -133124.2128.4-175.60000109
836N29Very low29.7Very low163 Ų163152.9 Ų152.987%0.87280%0.8SS**  trans-90.4105.3175.5-132.7-11.8000108.5
837M31.2Very low29.9Very low178 Ų178149.2 Ų149.288%0.87779%0.787SS**  trans-140.9132.7163.5-152.464.2-175.300109.3
838A31.6Very low29.8Very low92 Ų92147.8 Ų147.876%0.7680%0.795SS**  trans-71.7141.8-16000000113.7M840A838-M840 PolarHBondContact O-N 2.79Å
839M28.1Very low30.3Very low169 Ų169146 Ų14683%0.83380%0.795SS**  trans-60.5128.3160.4-71.2-174.9-73.900109.6
840M29.9Very low30.5Very low167 Ų167145 Ų14582%0.82380%0.796SS**  trans-127.594.2155.3-153174.2-160.100108.3A838 N842A838-M840 PolarHBondContact O-N 2.79Å; M840-N842 PolarHBondContact O-N 3.39Å
841M30.2Very low30.8Very low167 Ų167145.4 Ų145.482%0.82380%0.796SS**  trans-62.3122.8169.2-68.4-177.3179.200108.2
842N29.3Very low31Very low100 Ų100140.8 Ų140.854%0.53579%0.786SS.*  trans-13888169.6-99.2-44.3000109.3M840 M844M840-N842 PolarHBondContact O-N 3.39Å; N842-M844 HydrophobicContact CB-CE 4.04Å; N842-M844 HydrophobicContact CB-CG 4.21Å; N842-M844 PolarHBondContact O-N 3.34Å
843T29Very low31Very low153 Ų153139.3 Ų139.394%0.93978%0.781SS**  trans-66.583.4158.146.90000108.3
844M27.6Very low31.1Very low142 Ų142138 Ų13870%0.778%0.779SS**  trans-115132.5175.7-73.2-160.1-70.400110.9N842 K846N842-M844 HydrophobicContact CB-CE 4.04Å; N842-M844 HydrophobicContact CB-CG 4.21Å; N842-M844 PolarHBondContact O-N 3.34Å; M844-K846 PolarHBondContact O-N 2.69Å
845V29.9Very low31.1Very low138 Ų138136.6 Ų136.684%0.83678%0.776SS**  trans-54.2127.1171.51770000108.9P847V845-P847 WeakPolarHBondContact O-CD 3.43Å; V845-P847 VanDerWaalsContact O-N 3.16Å
846K30.9Very low30.8Very low186 Ų186135.8 Ų135.881%0.80978%0.775SS**  trans-60.1115.8177.2-176178.3179.9-178.70109.2M844M844-K846 PolarHBondContact O-N 2.69Å
847P29.2Very low31Very low106 Ų106133.9 Ų133.969%0.68877%0.769SS**  trans-64.5145.9178-20.433.6000110.6V845 V849V845-P847 WeakPolarHBondContact O-CD 3.43Å; V845-P847 VanDerWaalsContact O-N 3.16Å; P847-V849 PolarHBondContact O-N 3.04Å; P847-V849 VanDerWaalsContact O-N 3.12Å
848A29Very low31.3Very low102 Ų102130.8 Ų130.884%0.84376%0.763SS**  trans-62.9114.3168.800000109
849V36.8Very low31.9Very low120 Ų120131.9 Ų131.973%0.72776%0.762SS**PPolyproline II helixtrans-69.1128.8175.3179.10000107.9P847 I851P847-V849 PolarHBondContact O-N 3.04Å; P847-V849 VanDerWaalsContact O-N 3.12Å; V849-I851 PolarHBondContact O-N 3.25Å
850P32.7Very low32.3Very low110 Ų110129.7 Ų129.771%0.71476%0.761SS**PPolyproline II helixtrans-65.2130.1178.226.6-33.6000110.2P852P850-P852 WeakPolarHBondContact O-CD 2.8Å
851I35.7Very low32.6Very low146 Ų146126.5 Ų126.575%0.74976%0.761SS**PPolyproline II helixtrans-62.3124.3175.5-59.2169.8000108.2V849 N853V849-I851 PolarHBondContact O-N 3.25Å; I851-N853 PolarHBondContact O-N 2.92Å
852P33.4Very low33Very low98 Ų98126.3 Ų126.364%0.63676%0.762SS**PPolyproline II helixtrans-72.1118.6170.329.1-31.4000108.8P850 T854P850-P852 WeakPolarHBondContact O-CD 2.8Å; P852-T854 VanDerWaalsContact C-N 3.29Å; P852-T854 PolarHBondContact O-N 3.28Å
853N29.4Very low33.3Very low151 Ų151126.6 Ų126.681%0.80777%0.769SS**  trans-66.685.8173.9-78-0.9000110.5I851 T855I851-N853 PolarHBondContact O-N 2.92Å; N853-T855 VanDerWaalsContact C-N 3.25Å; N853-T855 PolarHBondContact O-N 2.87Å
854T33.6Very low33.7Very low119 Ų119125.3 Ų125.373%0.7376%0.764SS**  trans-76.678.2171.3520000109.8P852 C856P852-T854 VanDerWaalsContact C-N 3.29Å; P852-T854 PolarHBondContact O-N 3.28Å; T854-C856 PolarHBondContact O-N 2.89Å; T854-C856 VanDerWaalsContact O-N 3.11Å
855T29.7Very low34.1Very low121 Ų121130.3 Ų130.374%0.74278%0.775SS**  trans-53.3115.8169.4-58.40000109.5N853 T857N853-T855 VanDerWaalsContact C-N 3.25Å; N853-T855 PolarHBondContact O-N 2.87Å; T855-T857 PolarHBondContact O-N 2.81Å
856C29.8Very low34.4Very low124 Ų124134.6 Ų134.684%0.83878%0.776SS**  trans-66.191.2177.8-63.10000111.2T854T854-C856 PolarHBondContact O-N 2.89Å; T854-C856 VanDerWaalsContact O-N 3.11Å
857T33.2Very low34.6Very low122 Ų122133.5 Ų133.575%0.74878%0.777SS**PPolyproline II helixtrans-65125.8163.148.40000109.1T855T855-T857 PolarHBondContact O-N 2.81Å
858P38.4Very low34.9Very low114 Ų114134.2 Ų134.274%0.7477%0.774SS**PPolyproline II helixtrans-65.1152.2177.328.1-34.8000111
859P43.5Very low35.2Very low114 Ų114136.5 Ų136.574%0.7477%0.772SS**PPolyproline II helixtrans-61.2147.1174.926.8-34.6000110.9A861P859-A861 PolarHBondContact O-N 3.2Å
860P37Very low35Very low124 Ų124134.6 Ų134.681%0.80578%0.777SS**PPolyproline II helixtrans-64.1130-177.326.4-34.3000111L862P860-L862 PolarHBondContact O-N 3.33Å; P860-L862 VanDerWaalsContact O-N 3.16Å
861A35.2Very low35.2Very low100 Ų100135.4 Ų135.483%0.82678%0.779SS**  trans-63.2115.9-179.900000111.1P859P859-A861 PolarHBondContact O-N 3.2Å
862L39.1Very low35Very low162 Ų162131.7 Ų131.785%0.84878%0.777SS**PPolyproline II helixtrans-66.2142.5173.2-74.7167.7000110.5P860P860-L862 PolarHBondContact O-N 3.33Å; P860-L862 VanDerWaalsContact O-N 3.16Å
863P35.8Very low35.2Very low106 Ų106134.4 Ų134.469%0.68879%0.785SS**PPolyproline II helixtrans-67.8148.9-177.928.5-35.2000111.7R865P863-R865 PolarHBondContact O-N 3.09Å
864P37.4Very low35.5Very low127 Ų127134.7 Ų134.783%0.82578%0.782SS**PPolyproline II helixtrans-64.1122-17826-34.2000111.1R866P864-R866 PolarHBondContact O-N 3.13Å
865R36.8Very low35.4Very low246 Ų246136.1 Ų136.193%0.92879%0.785SS**PPolyproline II helixtrans-62.5118.9173.3-80.1-168.2174.2-155.51.1109.7P863 I867P863-R865 PolarHBondContact O-N 3.09Å; R865-I867 PolarHBondContact O-N 3.16Å
866R36.3Very low35.8Very low228 Ų228138.1 Ų138.186%0.8679%0.79SS**PPolyproline II helixtrans-73.8120.4177.2-150.4-178.7-157.8-151.75.8109.5P864 I868P864-R866 PolarHBondContact O-N 3.13Å; R866-I868 PolarHBondContact O-N 3.13Å
867I33.8Very low35.9Very low163 Ų163141.8 Ų141.884%0.83679%0.794SS**PPolyproline II helixtrans-69.5124.9175.5-54.3170.1000108.6R865R865-I867 PolarHBondContact O-N 3.16Å
868I36.4Very low35.7Very low122 Ų122141.5 Ų141.563%0.62679%0.788SS**  trans-138128.7168.3-63.1-176.6000107.9R866R866-I868 PolarHBondContact O-N 3.13Å
869N34.2Very low35.4Very low150 Ų150142 Ų14280%0.80279%0.791SS**  trans54.593173-60.5-1.5000115.7V871N869-V871 PolarHBondContact O-N 2.95Å
870G32.8Very low34.8Very low80 Ų80143.9 Ų143.983%0.82579%0.79SS**  trans-72.2123.4175.100000113.1
871V38.2Very low34.4Very low126 Ų126142.6 Ų142.676%0.76478%0.784SS**  trans-129.6129.1152.8-178.70000105.2N869 L873N869-V871 PolarHBondContact O-N 2.95Å; V871-L873 HydrophobicContact CG1-CD1 4.22Å
872G30.8Very low34.1Very low68 Ų68146.7 Ų146.770%0.70179%0.789SS**  trans-76.4137.9173.300000110.3
873L37.5Very low33.7Very low155 Ų155145.2 Ų145.281%0.81279%0.787SS**  trans-134.2127.9156.9-87.197.5000108.3V871V871-L873 HydrophobicContact CG1-CD1 4.22Å
874E35.8Very low33.6Very low157 Ų157144.9 Ų144.973%0.73479%0.787SS**  trans-76.1163.8164.841.7-88.19400112.7
875D32.7Very low33.4Very low149 Ų149145 Ų14580%0.79779%0.789SS**  trans52.290.6158-55.6-13000120.2
876I36.6Very low33.7Very low164 Ų164139.1 Ų139.184%0.84178%0.775SS**  trans-137.7102140.4-53.9-179.5000109D878I876-D878 HydrophobicContact CG2-CB 4.4Å
877E31.9Very low34Very low200 Ų200130.9 Ų130.994%0.93575%0.752SS**  trans-93114.1163.4-68.4-169.3129.600109.3
878D30.6Very low34.6Very low116 Ų116129 Ų12962%0.6274%0.743SS**  trans-125.6109.1178.5-171.813.8000110.3I876 Q880I876-D878 HydrophobicContact CG2-CB 4.4Å; D878-Q880 PolarHBondContact O-N 3.18Å
879P31.5Very low34.9Very low124 Ų124123.8 Ų123.881%0.80572%0.718SS**  trans-86.973-164.434.4-36.9000113.7S881P879-S881 PolarHBondContact O-N 2.73Å
880Q31.6Very low35.6Very low154 Ų154123 Ų12372%0.7271%0.709SS**  trans-83.7102174.2-66.8-158.97.800113.8D878 M882D878-Q880 PolarHBondContact O-N 3.18Å; Q880-M882 PolarHBondContact O-N 3.01Å
881S27.3Very low36.2Very low97 Ų97126 Ų12668%0.67870%0.696SS**  trans38.878.9143.863.20000118.1P879 T883P879-S881 PolarHBondContact O-N 2.73Å; S881-T883 PolarHBondContact O-N 3.42Å
882M29.8Very low36.8Very low187 Ų187127.8 Ų127.892%0.92169%0.69SS**  trans-82.991.9155.8-73.5-164.1179.600110.4Q880 S884Q880-M882 PolarHBondContact O-N 3.01Å; M882-S884 PolarHBondContact O-N 3.14Å
883T29.9Very low37.1Very low131 Ų131127.3 Ų127.380%0.80469%0.685SS**  trans-69.885160.448.20000109S881 C885S881-T883 PolarHBondContact O-N 3.42Å; T883-C885 PolarHBondContact O-N 3.43Å
884S34.8Very low37.4Very low99 Ų99125 Ų12569%0.69267%0.673SS**  trans-64.8115.4174.454.60000110.2M882 I886M882-S884 PolarHBondContact O-N 3.14Å; S884-I886 PolarHBondContact O-N 2.99Å
885C31.3Very low37.6Very low128 Ų128121.4 Ų121.487%0.86566%0.663SS**  trans-62.8107.7172.4-60.70000109.7T883 S887T883-C885 PolarHBondContact O-N 3.43Å; C885-S887 PolarHBondContact O-N 2.94Å
886I43.9Very low38.3Very low123 Ų123120.3 Ų120.363%0.63166%0.662SS**  trans-55.3131.4173.6-64.3173.9000108.6S884 E890S884-I886 PolarHBondContact O-N 2.99Å; I886-E890 HydrophobicContact CG2-CB 3.68Å
887S41.7Very low38.6Very low56 Ų56117 Ų11739%0.39266%0.658SS.*  trans-62.7147.3-179.2179.90000110.9C885 A889 E890 R891C885-S887 PolarHBondContact O-N 2.94Å; S887-A889 PolarHBondContact O-N 2.82Å; S887-A889 PolarHBondContact OG-N 3.16Å; S887-E890 VanDerWaalsContact CB-OE2 3.27Å; S887-E890 WeakPolarHBondContact CB-OE2 3.2Å; S887-E890 PolarHBondContact N-OE2 3.24Å; S887-E890 PolarHBondContact O-N 3.16Å; S887-R891 PolarHBondContact O-N 3.19Å
888L47.1Very low38.9Very low124 Ų124115.8 Ų115.865%0.64965%0.653SS**THydrogen-bonded Turntrans-59.4-30.5173.9-153.876.7000111.3R891 Y892L888-R891 PolarHBondContact O-N 3.07Å; L888-Y892 HydrophobicContact CD1-CE2 4.02Å; L888-Y892 HydrophobicContact CD2-CE2 4.39Å; L888-Y892 HydrophobicContact CG-CD2 4Å; L888-Y892 HydrophobicContact CG-CE2 3.86Å; L888-Y892 WeakPolarHBondContact O-CD2 3.47Å; L888-Y892 PolarHBondContact O-N 3.28Å
889A43.2Very low39.4Very low11 Ų11119.1 Ų119.19%0.09167%0.669CS.*THydrogen-bonded Turntrans-67.2-42.1174.100000112.5S887 R891 Y892 G893 L894 I899S887-A889 PolarHBondContact O-N 2.82Å; S887-A889 PolarHBondContact OG-N 3.16Å; A889-R891 VanDerWaalsContact C-N 3.31Å; A889-R891 PolarHBondContact O-N 3.11Å; A889-Y892 CarbonylContact O-C 3.52Å; A889-Y892 PolarHBondContact O-N 3.35Å; A889-G893 PolarHBondContact O-N 3.12Å; A889-L894 HydrophobicContact CB-CB 4.21Å; A889-L894 PolarHBondContact O-N 3.37Å; A889-L894 VanDerWaalsContact O-N 3.1Å; A889-I899 HydrophobicContact CB-CD1 3.99Å
890E48.9Very low39.8Very low133 Ų133118.9 Ų118.962%0.62166%0.662SS**G310 helixtrans-66.2-33.7175.4-67.3171.6127.200111.6I886 S887 Y892I886-E890 HydrophobicContact CG2-CB 3.68Å; S887-E890 VanDerWaalsContact CB-OE2 3.27Å; S887-E890 WeakPolarHBondContact CB-OE2 3.2Å; S887-E890 PolarHBondContact N-OE2 3.24Å; S887-E890 PolarHBondContact O-N 3.16Å; E890-Y892 VanDerWaalsContact C-N 3.25Å; E890-Y892 PolarHBondContact O-N 3.39Å
891R44.2Very low40.2Very low143 Ų143117 Ų11754%0.5466%0.659SS.*G310 helixtrans-72.5-14175.8-146.3-176.8-155.4-128.99.7113.9D75 S887 L888 A889D75-R891 IonicContact OD1-NH2 3.34Å; D75-R891 PolarHBondContact OD1-NH2 3.36Å; D75-R891 IonicContact OD2-CZ 3.73Å; D75-R891 IonicContact OD2-NH1 3.55Å; D75-R891 PolarHBondContact OD2-NH1 2.85Å; D75-R891 IonicContact OD2-NH2 2.87Å; D75-R891 PolarHBondContact OD2-NH2 2.93Å; S887-R891 PolarHBondContact O-N 3.19Å; L888-R891 PolarHBondContact O-N 3.07Å; A889-R891 VanDerWaalsContact C-N 3.31Å; A889-R891 PolarHBondContact O-N 3.11Å
892Y51.2Low41Very low165 Ų165118.1 Ų118.165%0.64766%0.658SS**G310 helixtrans-125.49-178.8-69-59.1000114.5L888 A889 E890 L894L888-Y892 HydrophobicContact CD1-CE2 4.02Å; L888-Y892 HydrophobicContact CD2-CE2 4.39Å; L888-Y892 HydrophobicContact CG-CD2 4Å; L888-Y892 HydrophobicContact CG-CE2 3.86Å; L888-Y892 WeakPolarHBondContact O-CD2 3.47Å; L888-Y892 PolarHBondContact O-N 3.28Å; A889-Y892 CarbonylContact O-C 3.52Å; A889-Y892 PolarHBondContact O-N 3.35Å; E890-Y892 VanDerWaalsContact C-N 3.25Å; E890-Y892 PolarHBondContact O-N 3.39Å; Y892-L894 VanDerWaalsContact C-N 3.29Å; Y892-L894 PolarHBondContact O-N 3.33Å
893G38.2Very low41.6Very low57 Ų57114.1 Ų114.159%0.58864%0.642SS**THydrogen-bonded Turntrans67.122.717500000115.2A889A889-G893 PolarHBondContact O-N 3.12Å
894L44.3Very low42.3Very low106 Ų106113 Ų11356%0.55563%0.632SS**  trans-78.1132.3-177.8-77.2160.3000111.2A889 Y892 V896A889-L894 HydrophobicContact CB-CB 4.21Å; A889-L894 PolarHBondContact O-N 3.37Å; A889-L894 VanDerWaalsContact O-N 3.1Å; Y892-L894 VanDerWaalsContact C-N 3.29Å; Y892-L894 PolarHBondContact O-N 3.33Å; L894-V896 PolarHBondContact O-N 2.81Å
895P39.1Very low42.8Very low83 Ų83113.9 Ų113.954%0.53963%0.628SS.*  trans-66132.5178.626.9-33.8000111.1A897P895-A897 PolarHBondContact O-N 2.96Å
896V46.5Very low43.7Very low126 Ų126112.9 Ų112.976%0.76461%0.611SS**THydrogen-bonded Turntrans-72.522.4-175.7-166.10000112.8L894L894-V896 PolarHBondContact O-N 2.81Å
897A44.4Very low43.6Very low93 Ų93112.2 Ų112.277%0.76961%0.61SS**THydrogen-bonded Turntrans-104.1-6.8-179.500000113.8P895P895-A897 PolarHBondContact O-N 2.96Å
898E37.9Very low43.8Very low175 Ų175116.8 Ų116.882%0.81863%0.628SS**  trans-122.532.8-178-61-163132.400113.5
899I40.7Very low43.5Very low186 Ų186116.2 Ų116.295%0.95463%0.626SS**  trans-117.30176.4-51.3-180000110.3A889A889-I899 HydrophobicContact CB-CD1 3.99Å

Retrieved 899 of 899 residues in 703.4 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).