A0A2K5TVQ9_MACFA Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A2K5TVQ9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SMAD3, Length 425 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
1M35.4Very low58.4Low245 Ų245111.5 Ų111.5100%1.20763%0.626SS**  099.50-68.9178.8-172.300107.6S3M1-S3 PolarHBondContact O-N 3.06Å
2S35Very low61.1Low118 Ų118102.3 Ų102.383%0.82557%0.574SS**  trans-66.9119.9-176-53.30000110.1I4S2-I4 PolarHBondContact O-N 3.33Å
3S40.7Very low63.4Low109 Ų109104.8 Ų104.876%0.76258%0.575SS**  trans-67100.8174.854.90000109.6M1 L5M1-S3 PolarHBondContact O-N 3.06Å; S3-L5 PolarHBondContact O-N 2.82Å
4I40.3Very low65.4Low160 Ų160106.2 Ų106.282%0.82157%0.568SS**  trans-65.3103.2171.4-61.1169.8000107.2S2S2-I4 PolarHBondContact O-N 3.33Å
5L46.7Very low67.2Low150 Ų15099.4 Ų99.479%0.78553%0.531SS*.  trans-57.1131.9166.3-70.9167.8000107.9S3 F7S3-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 3.23Å
6P55.2Low68.8Low104 Ų10495.8 Ų95.868%0.67551%0.512SS*.  trans-61.9114.8-176.622.9-31.2000109.8T8P6-T8 PolarHBondContact O-N 3.3Å
7F64.6Low70.1Confident174 Ų17494.2 Ų94.276%0.76352%0.524SS*.  trans-65.7107.4-178.5-171.5-97.1000110.3L5 P9L5-F7 PolarHBondContact O-N 3.23Å; F7-P9 WeakPolarHBondContact O-CD 3.39Å
8T70.1Confident71.3Confident19 Ų1994.2 Ų94.212%0.11751%0.514CS..  trans-75.1122.5173.7-58.10000109.5P6 V12 K13 E32 K36P6-T8 PolarHBondContact O-N 3.3Å; T8-V12 HydrophobicContact CG2-CB 3.83Å; T8-V12 HydrophobicContact CG2-CG1 3.59Å; T8-K13 HydrophobicContact CG2-CG 3.92Å; T8-E32 WeakPolarHBondContact CB-OE1 3.41Å; T8-E32 WeakPolarHBondContact CG2-OE1 3.32Å; T8-E32 PolarHBondContact OG1-OE1 3.06Å; T8-K36 PolarHBondContact OG1-NZ 3.01Å
9P79.4Confident72.4Confident43 Ų4391.4 Ų91.428%0.27950%0.497SS..  trans-54.3141.3-178.3-25.933.4000112F7 I11 V12 K13F7-P9 WeakPolarHBondContact O-CD 3.39Å; P9-I11 HydrophobicContact CB-CG2 4.38Å; P9-I11 PolarHBondContact O-N 3.25Å; P9-I11 VanDerWaalsContact O-N 3.14Å; P9-V12 HydrophobicContact CB-CG2 4.07Å; P9-V12 HydrophobicContact CG-CG2 4.16Å; P9-V12 WeakPolarHBondContact O-CB 3.22Å; P9-V12 PolarHBondContact O-N 3.34Å; P9-K13 PolarHBondContact O-N 3.45Å
10P86.6Confident73.2Confident85 Ų8591.6 Ų91.655%0.55249%0.492SS*.Hα-helixtrans-53.1-39.7-176.7-28.534.4000113.8V12 K13 R14P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 PolarHBondContact O-N 3.22Å; P10-K13 PolarHBondContact O-N 2.87Å; P10-R14 PolarHBondContact O-N 3.4Å
11I88.7Confident73.6Confident19 Ų1989.4 Ų89.410%0.09749%0.491CS..Hα-helixtrans-64.7-35177.7-168.4150.2000113.3P9 R14 L15 V39 L48 E52P9-I11 HydrophobicContact CB-CG2 4.38Å; P9-I11 PolarHBondContact O-N 3.25Å; P9-I11 VanDerWaalsContact O-N 3.14Å; I11-R14 PolarHBondContact O-N 3.46Å; I11-L15 HydrophobicContact CG1-CD1 4.21Å; I11-L15 HydrophobicContact CG1-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 2.89Å; I11-V39 HydrophobicContact CG2-CG1 3.96Å; I11-L48 HydrophobicContact CD1-CD1 3.8Å; I11-L48 HydrophobicContact CD1-CD2 3.61Å; I11-L48 HydrophobicContact CD1-CG 3.54Å; I11-L48 HydrophobicContact CG1-CD1 4.39Å; I11-E52 WeakPolarHBondContact CD1-OE2 3.41Å
12V90.3Very high75.5Confident1 Ų186.2 Ų86.21%0.00647%0.473CS..Hα-helixtrans-66.4-41.8176.51730000109.7T8 P9 P10 L15 L16 E32 V35 K36 V39T8-V12 HydrophobicContact CG2-CB 3.83Å; T8-V12 HydrophobicContact CG2-CG1 3.59Å; P9-V12 HydrophobicContact CB-CG2 4.07Å; P9-V12 HydrophobicContact CG-CG2 4.16Å; P9-V12 WeakPolarHBondContact O-CB 3.22Å; P9-V12 PolarHBondContact O-N 3.34Å; P10-V12 VanDerWaalsContact C-N 3.33Å; P10-V12 PolarHBondContact O-N 3.22Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 VanDerWaalsContact O-CG 3.25Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 3.2Å; V12-E32 HydrophobicContact CG1-CG 4.39Å; V12-V35 HydrophobicContact CB-CG1 4.42Å; V12-V35 HydrophobicContact CG1-CB 4.37Å; V12-V35 HydrophobicContact CG1-CG1 3.97Å; V12-V35 HydrophobicContact CG2-CG1 4.45Å; V12-K36 HydrophobicContact CG1-CG 3.87Å; V12-K36 HydrophobicContact CG2-CG 3.98Å; V12-V39 HydrophobicContact CG2-CB 4.36Å; V12-V39 HydrophobicContact CG2-CG1 4.49Å; V12-V39 HydrophobicContact CG2-CG2 4.07Å
13K90.6Very high76.9Confident135 Ų13588.7 Ų88.759%0.58747%0.472SS*.Hα-helixtrans-60.8-45175.4-68.5-171.7178.4-176.30111.7T8 P9 P10 L16 G17T8-K13 HydrophobicContact CG2-CG 3.92Å; P9-K13 PolarHBondContact O-N 3.45Å; P10-K13 PolarHBondContact O-N 2.87Å; K13-L16 PolarHBondContact O-N 3.46Å; K13-G17 PolarHBondContact O-N 3.06Å
14R91.7Very high78.4Confident125 Ų12588 Ų8847%0.47246%0.46SS..Hα-helixtrans-60.3-48.7176.6-70-172.6-56.9175.13.5112.1P10 I11 L16 G17 W18 E52P10-R14 PolarHBondContact O-N 3.4Å; I11-R14 PolarHBondContact O-N 3.46Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.94Å; R14-G17 WeakPolarHBondContact O-CA 3.45Å; R14-G17 PolarHBondContact O-N 3.4Å; R14-W18 VanDerWaalsContact O-CD1 3.28Å; R14-E52 VanDerWaalsContact CZ-CD 3.47Å; R14-E52 IonicContact CZ-OE1 3.04Å; R14-E52 IonicContact CZ-OE2 3.13Å; R14-E52 IonicContact NE-OE1 2.97Å; R14-E52 IonicContact NH1-OE1 3.61Å; R14-E52 PolarHBondContact NH1-OE1 3.17Å; R14-E52 IonicContact NH1-OE2 3.63Å; R14-E52 IonicContact NH2-OE1 3.72Å; R14-E52 PolarHBondContact NH2-OE1 3.45Å; R14-E52 VanDerWaalsContact NH2-OE1 3.09Å; R14-E52 IonicContact NH2-OE2 3.79Å; R14-E52 PolarHBondContact NH2-OE2 2.78Å
15L93.1Very high80Confident4 Ų482.5 Ų82.52%0.02144%0.442CS..Hα-helixtrans-63.5-35.7179.3-70.7173.8000112.7I11 V12 G17 W18 V35 V39 L51 I55 W92I11-L15 HydrophobicContact CG1-CD1 4.21Å; I11-L15 HydrophobicContact CG1-CG 4.43Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.46Å; I11-L15 PolarHBondContact O-N 2.89Å; V12-L15 PolarHBondContact O-N 3.39Å; L15-G17 VanDerWaalsContact C-N 3.31Å; L15-W18 PolarHBondContact O-N 2.95Å; L15-V35 HydrophobicContact CB-CG1 3.81Å; L15-V35 HydrophobicContact CD1-CG1 3.95Å; L15-V39 HydrophobicContact CD1-CG2 3.62Å; L15-L51 HydrophobicContact CD1-CD2 3.91Å; L15-L51 HydrophobicContact CD2-CD2 4.31Å; L15-L51 HydrophobicContact CD2-CG 4.31Å; L15-I55 HydrophobicContact CD2-CD1 3.55Å; L15-W92 HydrophobicContact CB-CZ2 4.26Å; L15-W92 PolarHBondContact O-NE1 3.37Å
16L92.4Very high81.4Confident42 Ų4282.3 Ų82.322%0.2244%0.437CS..Hα-helixtrans-69.3-28.1172.9-72.4168.5000112.6V12 K13 R14 W18 K19 C31 E32 V35V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.35Å; V12-L16 WeakPolarHBondContact O-CB 3.3Å; V12-L16 VanDerWaalsContact O-CG 3.25Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 3.2Å; K13-L16 PolarHBondContact O-N 3.46Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 2.94Å; L16-W18 PolarHBondContact O-N 3.04Å; L16-K19 WeakPolarHBondContact O-CB 3.43Å; L16-K19 PolarHBondContact O-N 3.02Å; L16-C31 HydrophobicContact CD2-CB 4.15Å; L16-E32 HydrophobicContact CD1-CB 3.98Å; L16-E32 HydrophobicContact CD1-CG 3.94Å; L16-V35 HydrophobicContact CD2-CB 4.28Å; L16-V35 HydrophobicContact CD2-CG2 3.73Å; L16-V35 HydrophobicContact CG-CB 4.45Å; L16-V35 HydrophobicContact CG-CG2 4.26Å
17G90.5Very high82.7Confident69 Ų6981.3 Ų81.371%0.71142%0.423SS*.Hα-helixtrans-62.1-21.5173.400000113.9K13 R14 L15K13-G17 PolarHBondContact O-N 3.06Å; R14-G17 WeakPolarHBondContact O-CA 3.45Å; R14-G17 PolarHBondContact O-N 3.4Å; L15-G17 VanDerWaalsContact C-N 3.31Å
18W92.2Very high83.6Confident94 Ų9476.8 Ų76.836%0.35641%0.405SS..THydrogen-bonded Turntrans-92.4-0.5174.3-67.796.7000113.8R14 L15 L16 I55 T56R14-W18 VanDerWaalsContact O-CD1 3.28Å; L15-W18 PolarHBondContact O-N 2.95Å; L16-W18 PolarHBondContact O-N 3.04Å; W18-I55 HydrophobicContact CB-CG2 3.46Å; W18-I55 VanDerWaalsContact CB-CG2 3.46Å; W18-I55 HydrophobicContact CD2-CG2 3.91Å; W18-I55 HydrophobicContact CG-CG2 3.39Å; W18-T56 HydrophobicContact CZ2-CG2 3.98Å
19K92.3Very high84.5Confident41 Ų4182.8 Ų82.818%0.17843%0.429CS..  trans-59141.2178.5-171.3-166.28176.70110.1L16 G21 E22 C31 L91L16-K19 WeakPolarHBondContact O-CB 3.43Å; L16-K19 PolarHBondContact O-N 3.02Å; K19-G21 PolarHBondContact NZ-O 3.03Å; K19-E22 PolarHBondContact NZ-O 2.83Å; K19-C31 HydrophobicContact CD-CB 4.04Å; K19-L91 CarbonylContact C-O 3.47Å; K19-L91 WeakPolarHBondContact CA-O 3.38Å; K19-L91 HydrophobicContact CB-CD2 4.22Å; K19-L91 HydrophobicContact CG-CD2 4.03Å; K19-L91 HydrophobicContact CG-CG 4.09Å; K19-L91 WeakPolarHBondContact CG-O 3.43Å
20K89Confident85.1Confident95 Ų9582.5 Ų82.541%0.41342%0.423SS..  trans-97.5158171.4-59.5-64-177.4179.20111.1L91 W92 P95K20-L91 PolarHBondContact N-O 3.33Å; K20-W92 VanDerWaalsContact CG-O 3.25Å; K20-W92 WeakPolarHBondContact CG-O 3.46Å; K20-P95 VanDerWaalsContact C-CG 3.44Å; K20-P95 HydrophobicContact CB-CG 3.47Å; K20-P95 VanDerWaalsContact CB-CG 3.47Å
21G81.2Confident85.3Confident45 Ų4578.8 Ų78.846%0.46440%0.399SS..SBendtrans88.7161.8177.100000114.8K19 P95K19-G21 PolarHBondContact NZ-O 3.03Å; G21-P95 VanDerWaalsContact N-CG 3.33Å
22E74.6Confident85.5Confident179 Ų17980.3 Ų80.384%0.83641%0.405SS*.  trans-64.5161.7-170.2-61.7-175.9163.100114.2K19 N24K19-E22 PolarHBondContact NZ-O 2.83Å; E22-N24 PolarHBondContact O-N 3.19Å
23Q65.3Low85.7Confident170 Ų17085.3 Ų85.379%0.79443%0.427SS*.  trans-87.382.8-179.2-64.9-177.721.400110.3E28Q23-E28 WeakPolarHBondContact CG-OE1 3.33Å
24N72.2Confident85.8Confident95 Ų9578.9 Ų78.951%0.50840%0.399SS..  trans-92.4118.7164.9-177.6-10.7000109.5E22 Q26 E27 E28E22-N24 PolarHBondContact O-N 3.19Å; N24-Q26 PolarHBondContact O-N 3.35Å; N24-Q26 VanDerWaalsContact O-N 3.09Å; N24-Q26 PolarHBondContact OD1-N 2.99Å; N24-E27 HydrophobicContact CB-CB 4.07Å; N24-E27 PolarHBondContact O-N 2.89Å; N24-E28 PolarHBondContact O-N 3.17Å
25G73.1Confident86Confident43 Ų4372.9 Ų72.944%0.44338%0.376SS..Hα-helixtrans-59.4-25.2-171.700000115.5
26Q75.5Confident86.1Confident147 Ų14775.8 Ų75.869%0.68739%0.389SS*.Hα-helixtrans-80.9-33.3174.2-171161.15.600112.5N24N24-Q26 PolarHBondContact O-N 3.35Å; N24-Q26 VanDerWaalsContact O-N 3.09Å; N24-Q26 PolarHBondContact OD1-N 2.99Å
27E82.4Confident86.2Confident83 Ų8375.6 Ų75.639%0.38839%0.391SS..Hα-helixtrans-73.9-38.4177.5-170.4163.3-160.100111.6N24 K29 W30 C31N24-E27 HydrophobicContact CB-CB 4.07Å; N24-E27 PolarHBondContact O-N 2.89Å; E27-K29 PolarHBondContact O-N 2.89Å; E27-W30 CarbonylContact O-C 3.55Å; E27-W30 WeakPolarHBondContact O-CA 3.39Å; E27-W30 WeakPolarHBondContact O-CB 3.49Å; E27-W30 PolarHBondContact O-N 3.45Å; E27-C31 PolarHBondContact O-N 3.49Å; E27-C31 PolarHBondContact O-SG 3.39Å; E27-C31 VanDerWaalsContact O-SG 3.36Å
28E85.3Confident86.4Confident78 Ų7872.3 Ų72.336%0.36436%0.357SS..Hα-helixtrans-57.7-45.7175.3-78.5-168.114700112.9Q23 N24 W30 C31 E32Q23-E28 WeakPolarHBondContact CG-OE1 3.33Å; N24-E28 PolarHBondContact O-N 3.17Å; E28-W30 PolarHBondContact O-N 2.98Å; E28-C31 PolarHBondContact O-N 3.09Å; E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 3.2Å
29K88.4Confident86.6Confident145 Ų14568.1 Ų68.163%0.6334%0.341SS*.Hα-helixtrans-59.4-34175.8-72177.9-176.8175.60111.6E27 K33E27-K29 PolarHBondContact O-N 2.89Å; K29-K33 WeakPolarHBondContact O-CG 3.46Å; K29-K33 PolarHBondContact O-N 3.11Å
30W90.9Very high86.7Confident38 Ų3873.3 Ų73.314%0.14436%0.364CS..Hα-helixtrans-73.4-46176.3-17488.8000111.6E27 E28 E32 K33 A34 V77 I87E27-W30 CarbonylContact O-C 3.55Å; E27-W30 WeakPolarHBondContact O-CA 3.39Å; E27-W30 WeakPolarHBondContact O-CB 3.49Å; E27-W30 PolarHBondContact O-N 3.45Å; E28-W30 PolarHBondContact O-N 2.98Å; W30-E32 VanDerWaalsContact C-N 3.31Å; W30-E32 PolarHBondContact O-N 3.45Å; W30-K33 WeakPolarHBondContact O-CB 3.44Å; W30-K33 PolarHBondContact O-N 2.83Å; W30-K33 VanDerWaalsContact O-N 3.13Å; W30-A34 HydrophobicContact CE3-CB 4.47Å; W30-A34 HydrophobicContact CH2-CB 4.36Å; W30-A34 HydrophobicContact CZ3-CB 4.22Å; W30-A34 PolarHBondContact O-N 3.26Å; W30-V77 HydrophobicContact CZ2-CB 3.95Å; W30-V77 HydrophobicContact CZ2-CG1 4.3Å; W30-V77 PolarHBondContact NE1-O 3.24Å; W30-I87 HydrophobicContact CH2-CG1 4.17Å; W30-I87 HydrophobicContact CH2-CG2 3.7Å; W30-I87 HydrophobicContact CZ3-CG2 4.3Å
31C91.9Very high86.9Confident7 Ų772 Ų725%0.04736%0.358CS..Hα-helixtrans-57.3-43.8175.6-67.90000111.6L16 K19 E27 E28 K33 A34 V35 L91L16-C31 HydrophobicContact CD2-CB 4.15Å; K19-C31 HydrophobicContact CD-CB 4.04Å; E27-C31 PolarHBondContact O-N 3.49Å; E27-C31 PolarHBondContact O-SG 3.39Å; E27-C31 VanDerWaalsContact O-SG 3.36Å; E28-C31 PolarHBondContact O-N 3.09Å; C31-K33 VanDerWaalsContact C-N 3.34Å; C31-K33 PolarHBondContact O-N 2.94Å; C31-A34 WeakPolarHBondContact O-CB 3.47Å; C31-A34 PolarHBondContact O-N 2.8Å; C31-A34 VanDerWaalsContact O-N 3.14Å; C31-V35 WeakPolarHBondContact O-CG2 3.45Å; C31-V35 PolarHBondContact O-N 2.78Å; C31-L91 HydrophobicContact CB-CD1 4.05Å
32E93Very high87.6Confident50 Ų5069.9 Ų69.923%0.23434%0.336CS..Hα-helixtrans-59.9-44.1176.3-176.3-177.5-162.700111.7T8 V12 L16 E28 W30 A34 V35 K36T8-E32 WeakPolarHBondContact CB-OE1 3.41Å; T8-E32 WeakPolarHBondContact CG2-OE1 3.32Å; T8-E32 PolarHBondContact OG1-OE1 3.06Å; V12-E32 HydrophobicContact CG1-CG 4.39Å; L16-E32 HydrophobicContact CD1-CB 3.98Å; L16-E32 HydrophobicContact CD1-CG 3.94Å; E28-E32 WeakPolarHBondContact O-CB 3.34Å; E28-E32 PolarHBondContact O-N 3.2Å; W30-E32 VanDerWaalsContact C-N 3.31Å; W30-E32 PolarHBondContact O-N 3.45Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 2.88Å; E32-V35 PolarHBondContact O-N 3.09Å; E32-K36 HydrophobicContact CG-CD 4.04Å; E32-K36 HydrophobicContact CG-CG 4.44Å; E32-K36 VanDerWaalsContact O-CB 3.31Å; E32-K36 WeakPolarHBondContact O-CB 3.46Å; E32-K36 VanDerWaalsContact O-CG 3.24Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.2Å; E32-K36 WeakPolarHBondContact OE1-CE 3.31Å; E32-K36 IonicContact OE1-NZ 2.66Å; E32-K36 PolarHBondContact OE1-NZ 3.16Å; E32-K36 IonicContact OE2-NZ 3.71Å
33K93.5Very high88.5Confident106 Ų10667.6 Ų67.646%0.46132%0.324SS..Hα-helixtrans-63.7-38.7174.8-71.9176.4-176.3178.20112K29 W30 C31 S37 V77 S78K29-K33 WeakPolarHBondContact O-CG 3.46Å; K29-K33 PolarHBondContact O-N 3.11Å; W30-K33 WeakPolarHBondContact O-CB 3.44Å; W30-K33 PolarHBondContact O-N 2.83Å; W30-K33 VanDerWaalsContact O-N 3.13Å; C31-K33 VanDerWaalsContact C-N 3.34Å; C31-K33 PolarHBondContact O-N 2.94Å; K33-S37 VanDerWaalsContact O-CB 3.31Å; K33-S37 WeakPolarHBondContact O-CB 3.49Å; K33-S37 PolarHBondContact O-N 3.43Å; K33-V77 HydrophobicContact CB-CG1 4.07Å; K33-S78 PolarHBondContact NZ-OG 2.85Å
34A94.2Very high89.8Confident0 Ų067.9 Ų67.90%032%0.322CS..Hα-helixtrans-63.8-46.1177.900000111.9W30 C31 E32 S37 L38 V77 I87 Y88 L91W30-A34 HydrophobicContact CE3-CB 4.47Å; W30-A34 HydrophobicContact CH2-CB 4.36Å; W30-A34 HydrophobicContact CZ3-CB 4.22Å; W30-A34 PolarHBondContact O-N 3.26Å; C31-A34 WeakPolarHBondContact O-CB 3.47Å; C31-A34 PolarHBondContact O-N 2.8Å; C31-A34 VanDerWaalsContact O-N 3.14Å; E32-A34 VanDerWaalsContact C-N 3.34Å; E32-A34 PolarHBondContact O-N 2.88Å; A34-S37 PolarHBondContact O-N 2.96Å; A34-L38 PolarHBondContact O-N 2.94Å; A34-V77 HydrophobicContact CB-CG1 3.95Å; A34-V77 HydrophobicContact CB-CG2 4.42Å; A34-I87 HydrophobicContact CB-CG2 4.48Å; A34-Y88 PolarHBondContact O-OH 3.4Å; A34-L91 HydrophobicContact CB-CD1 4.38Å
35V95.9Very high90.8Very high0 Ų066.4 Ų66.40%032%0.317CS..Hα-helixtrans-68.2-44.1177177.30000110.9V12 L15 L16 C31 E32 S37 L38 V39 L91 W92V12-V35 HydrophobicContact CB-CG1 4.42Å; V12-V35 HydrophobicContact CG1-CB 4.37Å; V12-V35 HydrophobicContact CG1-CG1 3.97Å; V12-V35 HydrophobicContact CG2-CG1 4.45Å; L15-V35 HydrophobicContact CB-CG1 3.81Å; L15-V35 HydrophobicContact CD1-CG1 3.95Å; L16-V35 HydrophobicContact CD2-CB 4.28Å; L16-V35 HydrophobicContact CD2-CG2 3.73Å; L16-V35 HydrophobicContact CG-CB 4.45Å; L16-V35 HydrophobicContact CG-CG2 4.26Å; C31-V35 WeakPolarHBondContact O-CG2 3.45Å; C31-V35 PolarHBondContact O-N 2.78Å; E32-V35 PolarHBondContact O-N 3.09Å; V35-S37 VanDerWaalsContact C-N 3.29Å; V35-S37 PolarHBondContact O-N 2.86Å; V35-L38 PolarHBondContact O-N 3.14Å; V35-L38 VanDerWaalsContact O-N 3.16Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CB 3.32Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 3.09Å; V35-L91 HydrophobicContact CG2-CD1 3.85Å; V35-L91 HydrophobicContact CG2-CD2 4.15Å; V35-W92 HydrophobicContact CG2-CH2 4.37Å; V35-W92 HydrophobicContact CG2-CZ2 3.91Å
36K94.6Very high91.7Very high65 Ų6567.2 Ų67.228%0.28333%0.325SS..Hα-helixtrans-56.5-43.7174.3-77.5176.1-178.7170.70111.7T8 V12 E32 K40T8-K36 PolarHBondContact OG1-NZ 3.01Å; V12-K36 HydrophobicContact CG1-CG 3.87Å; V12-K36 HydrophobicContact CG2-CG 3.98Å; E32-K36 HydrophobicContact CG-CD 4.04Å; E32-K36 HydrophobicContact CG-CG 4.44Å; E32-K36 VanDerWaalsContact O-CB 3.31Å; E32-K36 WeakPolarHBondContact O-CB 3.46Å; E32-K36 VanDerWaalsContact O-CG 3.24Å; E32-K36 WeakPolarHBondContact O-CG 3.41Å; E32-K36 PolarHBondContact O-N 3.2Å; E32-K36 WeakPolarHBondContact OE1-CE 3.31Å; E32-K36 IonicContact OE1-NZ 2.66Å; E32-K36 PolarHBondContact OE1-NZ 3.16Å; E32-K36 IonicContact OE2-NZ 3.71Å; K36-K40 WeakPolarHBondContact O-CB 3.39Å; K36-K40 PolarHBondContact O-N 3.05Å
37S93.9Very high92.7Very high38 Ų3862.3 Ų62.327%0.26630%0.302SS..Hα-helixtrans-62.9-43.8176.9-170.80000111.8K33 A34 V35 K40 K41K33-S37 VanDerWaalsContact O-CB 3.31Å; K33-S37 WeakPolarHBondContact O-CB 3.49Å; K33-S37 PolarHBondContact O-N 3.43Å; A34-S37 PolarHBondContact O-N 2.96Å; V35-S37 VanDerWaalsContact C-N 3.29Å; V35-S37 PolarHBondContact O-N 2.86Å; S37-K40 PolarHBondContact O-N 3.35Å; S37-K41 PolarHBondContact O-N 2.95Å
38L95.9Very high93.3Very high0 Ų059.2 Ų59.20%029%0.288CS..Hα-helixtrans-62.9-51.8176.9-172.357.9000111.6A34 V35 K40 K41 L42 L51 I67 Y88 W92 V122A34-L38 PolarHBondContact O-N 2.94Å; V35-L38 PolarHBondContact O-N 3.14Å; V35-L38 VanDerWaalsContact O-N 3.16Å; L38-K40 PolarHBondContact O-N 2.84Å; L38-K41 WeakPolarHBondContact O-CA 3.48Å; L38-K41 WeakPolarHBondContact O-CB 3.32Å; L38-K41 PolarHBondContact O-N 3.4Å; L38-L42 HydrophobicContact CD1-CD1 4.04Å; L38-L42 HydrophobicContact CD1-CD2 4.3Å; L38-L42 HydrophobicContact CD1-CG 3.98Å; L38-L42 HydrophobicContact CD2-CD1 4.24Å; L38-L42 HydrophobicContact CG-CD1 3.81Å; L38-L42 HydrophobicContact CG-CG 4.1Å; L38-L42 WeakPolarHBondContact O-CG 3.12Å; L38-L42 PolarHBondContact O-N 3.14Å; L38-L51 HydrophobicContact CD2-CD1 4.35Å; L38-L51 HydrophobicContact CD2-CD2 3.67Å; L38-L51 HydrophobicContact CG-CD2 4.28Å; L38-I67 HydrophobicContact CD1-CG2 3.7Å; L38-Y88 HydrophobicContact CB-CE1 3.87Å; L38-Y88 WeakPolarHBondContact CB-OH 3.42Å; L38-Y88 HydrophobicContact CD1-CE2 3.97Å; L38-Y88 HydrophobicContact CD2-CD1 3.91Å; L38-Y88 HydrophobicContact CD2-CD2 4.45Å; L38-Y88 HydrophobicContact CD2-CE1 3.69Å; L38-Y88 HydrophobicContact CD2-CE2 4.25Å; L38-Y88 HydrophobicContact CD2-CG 4.31Å; L38-Y88 HydrophobicContact CG-CE1 4.24Å; L38-Y88 HydrophobicContact CG-CE2 4.49Å; L38-W92 HydrophobicContact CD2-CH2 3.69Å; L38-W92 HydrophobicContact CD2-CZ3 3.98Å; L38-V122 HydrophobicContact CD1-CG2 3.97Å
39V95.7Very high93.6Very high5 Ų561.2 Ų61.23%0.0330%0.302CS..Hα-helixtrans-56.7-41.4-179.7170.20000110.6I11 V12 L15 V35 K41 L42 K43 L48I11-V39 HydrophobicContact CG2-CG1 3.96Å; V12-V39 HydrophobicContact CG2-CB 4.36Å; V12-V39 HydrophobicContact CG2-CG1 4.49Å; V12-V39 HydrophobicContact CG2-CG2 4.07Å; L15-V39 HydrophobicContact CD1-CG2 3.62Å; V35-V39 HydrophobicContact CG1-CG2 4.16Å; V35-V39 WeakPolarHBondContact O-CB 3.32Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.36Å; V35-V39 PolarHBondContact O-N 3.09Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 2.9Å; V39-L42 PolarHBondContact O-N 3.49Å; V39-K43 HydrophobicContact CG1-CD 4.26Å; V39-K43 HydrophobicContact CG1-CG 4.37Å; V39-K43 WeakPolarHBondContact O-CB 3.24Å; V39-K43 VanDerWaalsContact O-CG 3.3Å; V39-K43 WeakPolarHBondContact O-CG 3.31Å; V39-K43 PolarHBondContact O-N 2.87Å; V39-L48 HydrophobicContact CB-CD1 4.35Å; V39-L48 HydrophobicContact CG1-CD1 4.06Å; V39-L48 HydrophobicContact CG1-CD2 4.18Å; V39-L48 HydrophobicContact CG2-CD1 3.99Å
40K94.1Very high93.9Very high150 Ų15056.1 Ų56.165%0.65228%0.28SS*.Hα-helixtrans-61.8-36.6176.1-173.5177.1-179.2177.70112.6K36 S37 L38K36-K40 WeakPolarHBondContact O-CB 3.39Å; K36-K40 PolarHBondContact O-N 3.05Å; S37-K40 PolarHBondContact O-N 3.35Å; L38-K40 PolarHBondContact O-N 2.84Å
41K93.9Very high94.2Very high68 Ų6854.3 Ų54.330%0.29627%0.273SS..Hα-helixtrans-71.7-47.6176.3-72168.6176.8-85.30111.2S37 L38 V39 K43 K44 T45 I67S37-K41 PolarHBondContact O-N 2.95Å; L38-K41 WeakPolarHBondContact O-CA 3.48Å; L38-K41 WeakPolarHBondContact O-CB 3.32Å; L38-K41 PolarHBondContact O-N 3.4Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 2.9Å; K41-K43 VanDerWaalsContact C-N 3.33Å; K41-K43 PolarHBondContact O-N 3.48Å; K41-K44 WeakPolarHBondContact O-CB 3.21Å; K41-K44 PolarHBondContact O-N 3.41Å; K41-T45 PolarHBondContact O-N 2.92Å; K41-I67 HydrophobicContact CB-CG2 4.47Å; K41-I67 HydrophobicContact CD-CG2 4.25Å
42L95.5Very high94.3Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-70.3-27-177.1-60-177.7000113.7L38 V39 K44 T45 G46 Q47 L48 L51 I65 I67L38-L42 HydrophobicContact CD1-CD1 4.04Å; L38-L42 HydrophobicContact CD1-CD2 4.3Å; L38-L42 HydrophobicContact CD1-CG 3.98Å; L38-L42 HydrophobicContact CD2-CD1 4.24Å; L38-L42 HydrophobicContact CG-CD1 3.81Å; L38-L42 HydrophobicContact CG-CG 4.1Å; L38-L42 WeakPolarHBondContact O-CG 3.12Å; L38-L42 PolarHBondContact O-N 3.14Å; V39-L42 PolarHBondContact O-N 3.49Å; L42-K44 PolarHBondContact O-N 3.13Å; L42-T45 WeakPolarHBondContact CA-OG1 3.45Å; L42-T45 PolarHBondContact O-N 3.25Å; L42-T45 PolarHBondContact O-OG1 2.66Å; L42-G46 PolarHBondContact O-N 3.3Å; L42-Q47 HydrophobicContact CD2-CB 4.12Å; L42-Q47 PolarHBondContact O-N 3.42Å; L42-L48 HydrophobicContact CB-CB 4.31Å; L42-L48 HydrophobicContact CB-CD1 4.49Å; L42-L51 HydrophobicContact CD1-CB 3.78Å; L42-L51 HydrophobicContact CD1-CD2 3.44Å; L42-L51 VanDerWaalsContact CD1-CD2 3.44Å; L42-L51 HydrophobicContact CD1-CG 4.13Å; L42-I65 HydrophobicContact CD1-CG2 3.64Å; L42-I65 HydrophobicContact CD2-CG2 3.7Å; L42-I65 HydrophobicContact CG-CG2 4.34Å; L42-I67 HydrophobicContact CD2-CG2 4.35Å
43K93.8Very high94.3Very high131 Ų13159.2 Ų59.257%0.5729%0.293SS*.Hα-helixtrans-61-30.1169.6-79.8-174.8177-166.60113V39 K41 L48V39-K43 HydrophobicContact CG1-CD 4.26Å; V39-K43 HydrophobicContact CG1-CG 4.37Å; V39-K43 WeakPolarHBondContact O-CB 3.24Å; V39-K43 VanDerWaalsContact O-CG 3.3Å; V39-K43 WeakPolarHBondContact O-CG 3.31Å; V39-K43 PolarHBondContact O-N 2.87Å; K41-K43 VanDerWaalsContact C-N 3.33Å; K41-K43 PolarHBondContact O-N 3.48Å; K43-L48 HydrophobicContact CD-CD2 4.43Å; K43-L48 HydrophobicContact CG-CD2 3.7Å
44K92.6Very high94.4Very high176 Ų17654.1 Ų54.177%0.76527%0.272SS*.Hα-helixtrans-78.1-30.6177.3-63.9-177174.8-166.60112.4K41 L42K41-K44 WeakPolarHBondContact O-CB 3.21Å; K41-K44 PolarHBondContact O-N 3.41Å; L42-K44 PolarHBondContact O-N 3.13Å
45T92.2Very high94.4Very high64 Ų6454.2 Ų54.239%0.39327%0.272SS..Hα-helixtrans-96-7.8-178.159.90000113.5K41 L42 Q47K41-T45 PolarHBondContact O-N 2.92Å; L42-T45 WeakPolarHBondContact CA-OG1 3.45Å; L42-T45 PolarHBondContact O-N 3.25Å; L42-T45 PolarHBondContact O-OG1 2.66Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.05Å
46G93.2Very high94.3Very high60 Ų6057.5 Ų57.562%0.61929%0.292SS*.THydrogen-bonded Turntrans75.212.8-17900000114.8L42L42-G46 PolarHBondContact O-N 3.3Å
47Q94.9Very high94.3Very high44 Ų4457.9 Ų57.921%0.20630%0.3CS..  trans-95.410.2-175.2-68.6-179.2-6.400114.1L42 T45 D49 E50 L51 T66L42-Q47 HydrophobicContact CD2-CB 4.12Å; L42-Q47 PolarHBondContact O-N 3.42Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.05Å; Q47-D49 PolarHBondContact O-N 3.05Å; Q47-E50 PolarHBondContact O-N 3.36Å; Q47-L51 PolarHBondContact O-N 2.57Å; Q47-L51 VanDerWaalsContact O-N 3.09Å; Q47-T66 PolarHBondContact NE2-OG1 2.67Å; Q47-T66 PolarHBondContact OE1-O 3.09Å; Q47-T66 PolarHBondContact OE1-OG1 2.81Å
48L94.8Very high94.3Very high19 Ų1960.7 Ų60.710%0.09931%0.309CS..Hα-helixtrans-66.4-39.7-173.8-176.159.4000112.7I11 V39 L42 K43 E50 L51 E52I11-L48 HydrophobicContact CD1-CD1 3.8Å; I11-L48 HydrophobicContact CD1-CD2 3.61Å; I11-L48 HydrophobicContact CD1-CG 3.54Å; I11-L48 HydrophobicContact CG1-CD1 4.39Å; V39-L48 HydrophobicContact CB-CD1 4.35Å; V39-L48 HydrophobicContact CG1-CD1 4.06Å; V39-L48 HydrophobicContact CG1-CD2 4.18Å; V39-L48 HydrophobicContact CG2-CD1 3.99Å; L42-L48 HydrophobicContact CB-CB 4.31Å; L42-L48 HydrophobicContact CB-CD1 4.49Å; K43-L48 HydrophobicContact CD-CD2 4.43Å; K43-L48 HydrophobicContact CG-CD2 3.7Å; L48-E50 VanDerWaalsContact C-N 3.35Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-E52 PolarHBondContact O-N 3.03Å; L48-E52 VanDerWaalsContact O-N 3.1Å
49D93.6Very high94Very high120 Ų12064.1 Ų64.164%0.64233%0.327SS*.Hα-helixtrans-69.6-35.3179.1-59.5-30.4000111.3Q47 E52 K53Q47-D49 PolarHBondContact O-N 3.05Å; D49-E52 PolarHBondContact O-N 3.06Å; D49-K53 WeakPolarHBondContact O-CB 3.43Å; D49-K53 PolarHBondContact O-N 2.71Å
50E94.6Very high93.7Very high38 Ų3865.1 Ų65.118%0.17834%0.336CS..Hα-helixtrans-66.8-36.1173.9-68.7-73-171.700111.6Q47 L48 K53 A54 K63Q47-E50 PolarHBondContact O-N 3.36Å; L48-E50 VanDerWaalsContact C-N 3.35Å; E50-K53 PolarHBondContact O-N 2.83Å; E50-A54 VanDerWaalsContact O-CB 3.31Å; E50-A54 WeakPolarHBondContact O-CB 3.3Å; E50-A54 PolarHBondContact O-N 3.26Å; E50-K63 HydrophobicContact CG-CD 4.49Å; E50-K63 WeakPolarHBondContact OE1-CD 3.31Å; E50-K63 WeakPolarHBondContact OE1-CE 3.31Å; E50-K63 IonicContact OE1-NZ 2.83Å; E50-K63 PolarHBondContact OE1-NZ 3.1Å
51L95.5Very high93.6Very high0 Ų063.8 Ų63.80%034%0.336CS..Hα-helixtrans-62.3-46.7171.7172.970.2000112.1L15 L38 L42 Q47 L48 K53 A54 I55 I65 W92L15-L51 HydrophobicContact CD1-CD2 3.91Å; L15-L51 HydrophobicContact CD2-CD2 4.31Å; L15-L51 HydrophobicContact CD2-CG 4.31Å; L38-L51 HydrophobicContact CD2-CD1 4.35Å; L38-L51 HydrophobicContact CD2-CD2 3.67Å; L38-L51 HydrophobicContact CG-CD2 4.28Å; L42-L51 HydrophobicContact CD1-CB 3.78Å; L42-L51 HydrophobicContact CD1-CD2 3.44Å; L42-L51 VanDerWaalsContact CD1-CD2 3.44Å; L42-L51 HydrophobicContact CD1-CG 4.13Å; Q47-L51 PolarHBondContact O-N 2.57Å; Q47-L51 VanDerWaalsContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.43Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.4Å; L51-A54 PolarHBondContact O-N 2.7Å; L51-I55 HydrophobicContact CD1-CD1 3.47Å; L51-I55 VanDerWaalsContact CD1-CD1 3.47Å; L51-I55 HydrophobicContact CD1-CG1 4.13Å; L51-I55 HydrophobicContact CG-CD1 3.88Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 3.46Å; L51-I65 VanDerWaalsContact CA-CD1 3.44Å; L51-I65 HydrophobicContact CB-CD1 3.87Å; L51-I65 HydrophobicContact CB-CG1 4.41Å; L51-I65 HydrophobicContact CB-CG2 4.29Å; L51-I65 HydrophobicContact CD1-CD1 3.63Å; L51-I65 HydrophobicContact CD1-CG2 4.41Å; L51-I65 HydrophobicContact CG-CD1 4.36Å; L51-W92 HydrophobicContact CD1-CH2 4.43Å; L51-W92 HydrophobicContact CD1-CZ3 4.35Å
52E94.1Very high93.6Very high43 Ų4361.2 Ų61.220%0.20133%0.326CS..Hα-helixtrans-62.8-42.6178.5-176.6170167.600111.5I11 R14 L48 D49 I55 T56I11-E52 WeakPolarHBondContact CD1-OE2 3.41Å; R14-E52 VanDerWaalsContact CZ-CD 3.47Å; R14-E52 IonicContact CZ-OE1 3.04Å; R14-E52 IonicContact CZ-OE2 3.13Å; R14-E52 IonicContact NE-OE1 2.97Å; R14-E52 IonicContact NH1-OE1 3.61Å; R14-E52 PolarHBondContact NH1-OE1 3.17Å; R14-E52 IonicContact NH1-OE2 3.63Å; R14-E52 IonicContact NH2-OE1 3.72Å; R14-E52 PolarHBondContact NH2-OE1 3.45Å; R14-E52 VanDerWaalsContact NH2-OE1 3.09Å; R14-E52 IonicContact NH2-OE2 3.79Å; R14-E52 PolarHBondContact NH2-OE2 2.78Å; L48-E52 PolarHBondContact O-N 3.03Å; L48-E52 VanDerWaalsContact O-N 3.1Å; D49-E52 PolarHBondContact O-N 3.06Å; E52-I55 PolarHBondContact O-N 3.3Å; E52-T56 VanDerWaalsContact O-CB 3.28Å; E52-T56 WeakPolarHBondContact O-CB 3.49Å; E52-T56 PolarHBondContact O-N 2.85Å; E52-T56 PolarHBondContact O-OG1 2.73Å
53K94.6Very high93.6Very high116 Ų11667.8 Ų67.850%0.50436%0.355SS..Hα-helixtrans-60.4-48.3174-176.1-179.1177.5-1760111.5D49 E50 L51 I55 T56 T57 T62D49-K53 WeakPolarHBondContact O-CB 3.43Å; D49-K53 PolarHBondContact O-N 2.71Å; E50-K53 PolarHBondContact O-N 2.83Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.4Å; K53-I55 PolarHBondContact O-N 3.4Å; K53-T56 PolarHBondContact O-N 3.15Å; K53-T57 HydrophobicContact CG-CG2 4.18Å; K53-T57 VanDerWaalsContact O-CB 3.32Å; K53-T57 WeakPolarHBondContact O-CB 3.35Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 3.49Å; K53-T57 PolarHBondContact O-OG1 3.31Å; K53-T62 HydrophobicContact CG-CG2 4.44Å
54A95.1Very high93.8Very high0 Ų062.5 Ų62.50%033%0.334CS..Hα-helixtrans-59.4-45.3179.500000112.2E50 L51 Q58 T62 I65 Y125E50-A54 VanDerWaalsContact O-CB 3.31Å; E50-A54 WeakPolarHBondContact O-CB 3.3Å; E50-A54 PolarHBondContact O-N 3.26Å; L51-A54 PolarHBondContact O-N 2.7Å; A54-Q58 WeakPolarHBondContact O-CA 3.23Å; A54-Q58 PolarHBondContact O-N 2.74Å; A54-T62 HydrophobicContact CB-CG2 4.29Å; A54-T62 WeakPolarHBondContact CB-OG1 3.26Å; A54-I65 HydrophobicContact CB-CD1 3.82Å; A54-Y125 WeakPolarHBondContact O-CD2 3.34Å; A54-Y125 WeakPolarHBondContact O-CE2 3.48Å
55I94.9Very high94Very high1 Ų154.1 Ų54.11%0.00530%0.297CS..Hα-helixtrans-69.2-41.2-180-70.8167.4000112.1L15 W18 L51 E52 K53 Q58 W92L15-I55 HydrophobicContact CD2-CD1 3.55Å; W18-I55 HydrophobicContact CB-CG2 3.46Å; W18-I55 VanDerWaalsContact CB-CG2 3.46Å; W18-I55 HydrophobicContact CD2-CG2 3.91Å; W18-I55 HydrophobicContact CG-CG2 3.39Å; L51-I55 HydrophobicContact CD1-CD1 3.47Å; L51-I55 VanDerWaalsContact CD1-CD1 3.47Å; L51-I55 HydrophobicContact CD1-CG1 4.13Å; L51-I55 HydrophobicContact CG-CD1 3.88Å; L51-I55 WeakPolarHBondContact O-CG1 3.29Å; L51-I55 PolarHBondContact O-N 3.46Å; E52-I55 PolarHBondContact O-N 3.3Å; K53-I55 PolarHBondContact O-N 3.4Å; I55-Q58 WeakPolarHBondContact O-CG 3.14Å; I55-W92 HydrophobicContact CD1-CD2 3.61Å; I55-W92 VanDerWaalsContact CD1-CE2 3.4Å; I55-W92 HydrophobicContact CD1-CE3 3.96Å; I55-W92 HydrophobicContact CD1-CG 4.14Å; I55-W92 HydrophobicContact CD1-CH2 4.02Å; I55-W92 HydrophobicContact CD1-CZ2 3.66Å; I55-W92 HydrophobicContact CD1-CZ3 4.13Å; I55-W92 HydrophobicContact CG1-CD2 4.27Å; I55-W92 HydrophobicContact CG1-CG 4.4Å
56T93.6Very high94.2Very high69 Ų6951.2 Ų51.242%0.42328%0.28SS..Hα-helixtrans-73-40.8-177.6-53.40000111.8W18 E52 K53W18-T56 HydrophobicContact CZ2-CG2 3.98Å; E52-T56 VanDerWaalsContact O-CB 3.28Å; E52-T56 WeakPolarHBondContact O-CB 3.49Å; E52-T56 PolarHBondContact O-N 2.85Å; E52-T56 PolarHBondContact O-OG1 2.73Å; K53-T56 PolarHBondContact O-N 3.15Å
57T93.8Very high94.4Very high74 Ų7448.5 Ų48.545%0.45425%0.251SS..Hα-helixtrans-86-18.2-177.762.20000113.6K53 N59K53-T57 HydrophobicContact CG-CG2 4.18Å; K53-T57 VanDerWaalsContact O-CB 3.32Å; K53-T57 WeakPolarHBondContact O-CB 3.35Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 3.49Å; K53-T57 PolarHBondContact O-OG1 3.31Å; T57-N59 PolarHBondContact O-N 3.46Å; T57-N59 VanDerWaalsContact O-N 3.14Å
58Q93.1Very high94.4Very high97 Ų9750.1 Ų50.145%0.45327%0.265SS..  trans54.729.6-177.7-49.9-162.423.300113.7A54 I55 Y125A54-Q58 WeakPolarHBondContact O-CA 3.23Å; A54-Q58 PolarHBondContact O-N 2.74Å; I55-Q58 WeakPolarHBondContact O-CG 3.14Å; Q58-Y125 VanDerWaalsContact CA-CE1 3.48Å; Q58-Y125 HydrophobicContact CB-CD1 4.07Å; Q58-Y125 HydrophobicContact CB-CE1 3.4Å; Q58-Y125 VanDerWaalsContact CB-CE1 3.4Å; Q58-Y125 HydrophobicContact CB-CE2 4.38Å; Q58-Y125 HydrophobicContact CG-CE1 3.93Å; Q58-Y125 HydrophobicContact CG-CE2 4.43Å; Q58-Y125 VanDerWaalsContact CG-OH 3.23Å; Q58-Y125 WeakPolarHBondContact CG-OH 3.45Å; Q58-Y125 WeakPolarHBondContact O-CD1 3.27Å; Q58-Y125 PolarHBondContact OE1-OH 3.47Å
59N90Very high94.3Very high71 Ų7152.2 Ų52.238%0.3827%0.272SS..  trans-103.2125.1-170.1-171.5-20.5000111.3T57 N61 T62T57-N59 PolarHBondContact O-N 3.46Å; T57-N59 VanDerWaalsContact O-N 3.14Å; N59-N61 PolarHBondContact O-N 2.89Å; N59-N61 VanDerWaalsContact OD1-CB 3.3Å; N59-N61 WeakPolarHBondContact OD1-CB 3.48Å; N59-N61 PolarHBondContact OD1-N 3.34Å; N59-T62 HydrophobicContact CB-CG2 4.3Å; N59-T62 WeakPolarHBondContact O-CG2 3.43Å; N59-T62 PolarHBondContact O-N 3.07Å; N59-T62 PolarHBondContact O-OG1 3.43Å
60A90.1Very high94.3Very high27 Ų2748.8 Ų48.822%0.22326%0.257CS..THydrogen-bonded Turntrans-65.8-22.2177.300000113.5T62 M106 Y125 H126A60-T62 PolarHBondContact O-N 3.38Å; A60-M106 HydrophobicContact CB-CE 4.5Å; A60-Y125 WeakPolarHBondContact CB-O 3.36Å; A60-H126 PolarHBondContact O-CD2 2.9Å; A60-H126 VanDerWaalsContact O-CD2 3.23Å; A60-H126 PolarHBondContact O-NE2 2.98Å; A60-H126 VanDerWaalsContact O-NE2 3.07Å
61N92.1Very high93.9Very high122 Ų12256.3 Ų56.365%0.65230%0.298SS*.THydrogen-bonded Turntrans-79.73.7179.4-60.5-24.6000113.5N59N59-N61 PolarHBondContact O-N 2.89Å; N59-N61 VanDerWaalsContact OD1-CB 3.3Å; N59-N61 WeakPolarHBondContact OD1-CB 3.48Å; N59-N61 PolarHBondContact OD1-N 3.34Å
62T94.3Very high93.4Very high13 Ų1359.5 Ų59.58%0.0832%0.315CS..SBendtrans-69.8162.8171.552.40000111.3K53 A54 N59 A60 N123 H126K53-T62 HydrophobicContact CG-CG2 4.44Å; A54-T62 HydrophobicContact CB-CG2 4.29Å; A54-T62 WeakPolarHBondContact CB-OG1 3.26Å; N59-T62 HydrophobicContact CB-CG2 4.3Å; N59-T62 WeakPolarHBondContact O-CG2 3.43Å; N59-T62 PolarHBondContact O-N 3.07Å; N59-T62 PolarHBondContact O-OG1 3.43Å; A60-T62 PolarHBondContact O-N 3.38Å; T62-N123 PolarHBondContact OG1-ND2 3.4Å; T62-H126 PolarHBondContact O-CE1 3.4Å; T62-H126 PolarHBondContact O-NE2 3.37Å
63K95.6Very high93.1Very high139 Ų13957.8 Ų57.860%0.60431%0.309SS*.PPolyproline II helixtrans-67159.2-179.8-66.1-175.8-168.41420111.8E50 I65 N123 H126E50-K63 HydrophobicContact CG-CD 4.49Å; E50-K63 WeakPolarHBondContact OE1-CD 3.31Å; E50-K63 WeakPolarHBondContact OE1-CE 3.31Å; E50-K63 IonicContact OE1-NZ 2.83Å; E50-K63 PolarHBondContact OE1-NZ 3.1Å; K63-I65 PolarHBondContact O-N 3.41Å; K63-N123 PolarHBondContact O-ND2 3.28Å; K63-N123 VanDerWaalsContact O-ND2 3.15Å; K63-H126 VanDerWaalsContact C-CE1 3.44Å; K63-H126 PolarHBondContact O-CE1 3.17Å
64C96.6Very high92.9Very high19 Ų1957.9 Ų57.913%0.12831%0.306CS..PPolyproline II helixtrans-61.5137.4170.2-73.20000109.6T66 F111 C121 H126C64-T66 HydrophobicContact CB-CG2 4.14Å; C64-F111 HydrophobicContact CB-CD2 3.8Å; C64-C121 HydrophobicContact CB-CB 4.47Å; C64-H126 PolarHBondContact N-CE1 2.63Å
65I97.6Very high92.8Very high0 Ų058.7 Ų58.70%031%0.311CS..  trans-108.2109.2173.6-59.7158.6000105.6L42 L51 A54 K63 C121 V122 N123L42-I65 HydrophobicContact CD1-CG2 3.64Å; L42-I65 HydrophobicContact CD2-CG2 3.7Å; L42-I65 HydrophobicContact CG-CG2 4.34Å; L51-I65 VanDerWaalsContact CA-CD1 3.44Å; L51-I65 HydrophobicContact CB-CD1 3.87Å; L51-I65 HydrophobicContact CB-CG1 4.41Å; L51-I65 HydrophobicContact CB-CG2 4.29Å; L51-I65 HydrophobicContact CD1-CD1 3.63Å; L51-I65 HydrophobicContact CD1-CG2 4.41Å; L51-I65 HydrophobicContact CG-CD1 4.36Å; A54-I65 HydrophobicContact CB-CD1 3.82Å; K63-I65 PolarHBondContact O-N 3.41Å; I65-C121 CarbonylContact O-C 3.4Å; I65-C121 VanDerWaalsContact O-CA 3.26Å; I65-C121 WeakPolarHBondContact O-CA 3.46Å; I65-V122 HydrophobicContact CB-CG2 4.32Å; I65-V122 HydrophobicContact CG2-CG2 3.86Å; I65-V122 VanDerWaalsContact O-CG2 3.31Å; I65-V122 WeakPolarHBondContact O-CG2 3.35Å; I65-V122 PolarHBondContact O-N 2.85Å; I65-N123 HydrophobicContact CB-CB 4.14Å; I65-N123 HydrophobicContact CD1-CB 3.68Å; I65-N123 HydrophobicContact CG1-CB 4.05Å
66T97.1Very high92.7Very high3 Ų363.8 Ų63.82%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-108.8145.6-167.155.60000112.4Q47 C64 F111 E119 V120Q47-T66 PolarHBondContact NE2-OG1 2.67Å; Q47-T66 PolarHBondContact OE1-O 3.09Å; Q47-T66 PolarHBondContact OE1-OG1 2.81Å; C64-T66 HydrophobicContact CB-CG2 4.14Å; T66-F111 HydrophobicContact CG2-CB 3.73Å; T66-F111 HydrophobicContact CG2-CD1 4.02Å; T66-F111 HydrophobicContact CG2-CD2 3.87Å; T66-F111 HydrophobicContact CG2-CE2 4.49Å; T66-F111 HydrophobicContact CG2-CG 3.6Å; T66-E119 HydrophobicContact CG2-CB 4.35Å; T66-E119 PolarHBondContact OG1-OE1 3.13Å; T66-V120 WeakPolarHBondContact CA-O 3.47Å
67I96.3Very high92.5Very high3 Ų360.8 Ų60.82%0.01532%0.316CS..EExtended strand (participates in β ladder)trans-128.7153.6164.966.2171.6000110.1L38 K41 L42 R69 L75 P84 E119 V120 V122L38-I67 HydrophobicContact CD1-CG2 3.7Å; K41-I67 HydrophobicContact CB-CG2 4.47Å; K41-I67 HydrophobicContact CD-CG2 4.25Å; L42-I67 HydrophobicContact CD2-CG2 4.35Å; I67-R69 PolarHBondContact O-N 3.24Å; I67-L75 HydrophobicContact CD1-CD2 4.34Å; I67-P84 HydrophobicContact CD1-CB 3.6Å; I67-P84 HydrophobicContact CD1-CG 4.31Å; I67-P84 HydrophobicContact CG1-CB 4.46Å; I67-E119 WeakPolarHBondContact O-CA 3.28Å; I67-V120 HydrophobicContact CD1-CG1 4.38Å; I67-V120 HydrophobicContact CG1-CG1 3.63Å; I67-V120 PolarHBondContact N-O 3.44Å; I67-V120 WeakPolarHBondContact O-CG1 3.37Å; I67-V120 PolarHBondContact O-N 3.17Å; I67-V122 HydrophobicContact CD1-CG1 3.92Å; I67-V122 HydrophobicContact CG1-CG1 3.9Å; I67-V122 HydrophobicContact CG2-CG2 4.21Å
68P94.7Very high92.1Very high79 Ų7959.5 Ų59.551%0.51331%0.31SS..EExtended strand (participates in β ladder)trans-58.9135.9174.4-24.933.9000112.1
69R94.1Very high91.7Very high62 Ų6263 Ų6323%0.23433%0.326CS..PPolyproline II helixtrans-76.3132.9174.8-179.8179.6-70.9-98.1-2.2109.9I67 F113 K117 D118I67-R69 PolarHBondContact O-N 3.24Å; R69-F113 PolarHBondContact NH2-O 2.95Å; R69-K117 WeakPolarHBondContact CD-O 3.34Å; R69-K117 PolarHBondContact NE-O 3.07Å; R69-D118 VanDerWaalsContact CB-O 3.22Å; R69-D118 WeakPolarHBondContact CB-O 3.5Å; R69-D118 PolarHBondContact N-O 3.44Å
70S91.8Very high91.6Very high48 Ų4865.7 Ų65.734%0.33633%0.331SS..PPolyproline II helixtrans-80.3162.9170.758.40000111.3D72 G73 R74S70-D72 PolarHBondContact O-N 2.99Å; S70-D72 PolarHBondContact OG-OD1 2.99Å; S70-D72 VanDerWaalsContact OG-OD1 3.06Å; S70-G73 WeakPolarHBondContact O-CA 3.05Å; S70-G73 PolarHBondContact O-N 3.28Å; S70-G73 WeakPolarHBondContact OG-CA 3.42Å; S70-G73 PolarHBondContact OG-N 3.37Å; S70-R74 PolarHBondContact OG-N 3.27Å; S70-R74 PolarHBondContact OG-O 3.39Å
71L86.7Confident91.6Very high197 Ų19770 Ų70100%1.03134%0.344SS*.THydrogen-bonded Turntrans-53.5-37.4177.9-66173.6000113.3
72D84.8Confident91.5Very high66 Ų6665.1 Ų65.135%0.35332%0.323SS..THydrogen-bonded Turntrans-97.36.7177.874.8-15.4000113.4S70 R74 K81S70-D72 PolarHBondContact O-N 2.99Å; S70-D72 PolarHBondContact OG-OD1 2.99Å; S70-D72 VanDerWaalsContact OG-OD1 3.06Å; D72-R74 PolarHBondContact O-N 2.94Å; D72-R74 VanDerWaalsContact O-N 3.11Å; D72-R74 PolarHBondContact OD1-N 3.4Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 3.27Å; D72-R74 VanDerWaalsContact OD2-CZ 3.27Å; D72-R74 IonicContact OD2-NE 2.88Å; D72-R74 PolarHBondContact OD2-NE 2.92Å; D72-R74 IonicContact OD2-NH2 2.8Å; D72-R74 PolarHBondContact OD2-NH2 3.36Å; D72-K81 IonicContact OD2-NZ 3.81Å
73G87.8Confident91.5Very high8 Ų866.4 Ų66.48%0.08233%0.329CS..SBendtrans67.71.6-178.600000115.7S70 P84S70-G73 WeakPolarHBondContact O-CA 3.05Å; S70-G73 PolarHBondContact O-N 3.28Å; S70-G73 WeakPolarHBondContact OG-CA 3.42Å; S70-G73 PolarHBondContact OG-N 3.37Å; G73-P84 WeakPolarHBondContact O-CD 3.35Å
74R91Very high91.5Very high117 Ų11760 Ų6044%0.44230%0.302SS..PPolyproline II helixtrans-103.2137.7-176.9-64.6179-65.1-167.1-5.9112.5S70 D72 K81 G82 L83S70-R74 PolarHBondContact OG-N 3.27Å; S70-R74 PolarHBondContact OG-O 3.39Å; D72-R74 PolarHBondContact O-N 2.94Å; D72-R74 VanDerWaalsContact O-N 3.11Å; D72-R74 PolarHBondContact OD1-N 3.4Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 IonicContact OD2-CZ 3.27Å; D72-R74 VanDerWaalsContact OD2-CZ 3.27Å; D72-R74 IonicContact OD2-NE 2.88Å; D72-R74 PolarHBondContact OD2-NE 2.92Å; D72-R74 IonicContact OD2-NH2 2.8Å; D72-R74 PolarHBondContact OD2-NH2 3.36Å; R74-K81 HydrophobicContact CB-CB 4.48Å; R74-G82 CarbonylContact C-O 3.58Å; R74-G82 WeakPolarHBondContact CA-O 3.34Å; R74-L83 HydrophobicContact CG-CD2 4.02Å
75L92.8Very high91.4Very high18 Ų1859.3 Ų59.39%0.09430%0.296CS..EExtended strand (participates in β ladder)trans-89131.6170.5-179.366.8000109.8I67 V77 K81 G82 P84 I87 Y88I67-L75 HydrophobicContact CD1-CD2 4.34Å; L75-V77 HydrophobicContact CD2-CG2 4Å; L75-V77 HydrophobicContact CG-CG2 4.03Å; L75-K81 WeakPolarHBondContact O-CA 3.31Å; L75-G82 PolarHBondContact N-O 2.93Å; L75-G82 PolarHBondContact O-N 2.99Å; L75-P84 HydrophobicContact CB-CB 4.09Å; L75-P84 HydrophobicContact CD2-CB 4.36Å; L75-I87 HydrophobicContact CB-CD1 4.24Å; L75-I87 HydrophobicContact CD2-CD1 4.32Å; L75-Y88 HydrophobicContact CD2-CE2 3.95Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.49Å
76Q91.9Very high91.3Very high108 Ų10859.8 Ų59.851%0.50530%0.3SS..EExtended strand (participates in β ladder)trans-97.7122.5172.7-172.6170.9-19.400110.8R80 K81Q76-R80 CarbonylContact C-O 3.54Å; Q76-R80 WeakPolarHBondContact CA-O 3.47Å; Q76-K81 HydrophobicContact CB-CG 4.11Å; Q76-K81 HydrophobicContact CG-CG 4.14Å
77V90.6Very high91.2Very high5 Ų560.3 Ų60.33%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-128.1114.8174.1-177.10000108.7W30 K33 A34 L75 H79 R80W30-V77 HydrophobicContact CZ2-CB 3.95Å; W30-V77 HydrophobicContact CZ2-CG1 4.3Å; W30-V77 PolarHBondContact NE1-O 3.24Å; K33-V77 HydrophobicContact CB-CG1 4.07Å; A34-V77 HydrophobicContact CB-CG1 3.95Å; A34-V77 HydrophobicContact CB-CG2 4.42Å; L75-V77 HydrophobicContact CD2-CG2 4Å; L75-V77 HydrophobicContact CG-CG2 4.03Å; V77-H79 PolarHBondContact O-N 3.06Å; V77-R80 PolarHBondContact N-O 3.25Å; V77-R80 PolarHBondContact O-N 3.19Å
78S85.9Confident91.2Very high47 Ų4760.2 Ų60.233%0.32930%0.301SS..THydrogen-bonded Turntrans49.357.7176-166.30000113.2K33 R80K33-S78 PolarHBondContact NZ-OG 2.85Å; S78-R80 PolarHBondContact O-N 3Å; S78-R80 VanDerWaalsContact O-N 3.09Å
79H84.4Confident91.3Very high172 Ų17256.4 Ų56.480%0.79628%0.277SS*.THydrogen-bonded Turntrans66.7-4.8-178.2-48.6-81.9000116.4V77V77-H79 PolarHBondContact O-N 3.06Å
80R86.6Confident91.3Very high127 Ų12757.9 Ų57.948%0.47928%0.283SS..EExtended strand (participates in β ladder)trans-95.3129.3172.2-59-173.4-179.2175.7-5.2110.2Q76 V77 S78Q76-R80 CarbonylContact C-O 3.54Å; Q76-R80 WeakPolarHBondContact CA-O 3.47Å; V77-R80 PolarHBondContact N-O 3.25Å; V77-R80 PolarHBondContact O-N 3.19Å; S78-R80 PolarHBondContact O-N 3Å; S78-R80 VanDerWaalsContact O-N 3.09Å
81K90.3Very high91.4Very high117 Ų11756 Ų5651%0.50927%0.269SS..EExtended strand (participates in β ladder)trans-100133172-70.9-170.4176.1-170.20109.6D72 R74 L75 Q76D72-K81 IonicContact OD2-NZ 3.81Å; R74-K81 HydrophobicContact CB-CB 4.48Å; L75-K81 WeakPolarHBondContact O-CA 3.31Å; Q76-K81 HydrophobicContact CB-CG 4.11Å; Q76-K81 HydrophobicContact CG-CG 4.14Å
82G91.1Very high91.9Very high20 Ų2046.7 Ų46.721%0.20622%0.22CC..EExtended strand (participates in β ladder)trans-153.9166.8176.400000111.6R74 L75R74-G82 CarbonylContact C-O 3.58Å; R74-G82 WeakPolarHBondContact CA-O 3.34Å; L75-G82 PolarHBondContact N-O 2.93Å; L75-G82 PolarHBondContact O-N 2.99Å
83L94.1Very high92.3Very high39 Ų3947 Ų4720%0.20422%0.216CC..  trans-73.8131.9176.3-67.9174.3000109.7R74 H85 V86 I87 H100 F113R74-L83 HydrophobicContact CG-CD2 4.02Å; L83-H85 PolarHBondContact O-N 3.32Å; L83-V86 HydrophobicContact CB-CB 4.11Å; L83-V86 HydrophobicContact CB-CG2 3.76Å; L83-V86 HydrophobicContact CD1-CG2 4.26Å; L83-V86 PolarHBondContact O-N 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.39Å; L83-H100 HydrophobicContact CD1-CB 3.61Å; L83-F113 HydrophobicContact CD1-CE1 4.44Å; L83-F113 HydrophobicContact CD2-CE1 4.14Å; L83-F113 HydrophobicContact CD2-CE2 3.9Å; L83-F113 HydrophobicContact CD2-CZ 3.44Å; L83-F113 VanDerWaalsContact CD2-CZ 3.44Å
84P95.3Very high92.6Very high4 Ų448.5 Ų48.53%0.02622%0.219CC..Hα-helixtrans-63.3-45.4-169.221.9-31.8000113I67 G73 L75 V86 I87 Y88 V120 V122I67-P84 HydrophobicContact CD1-CB 3.6Å; I67-P84 HydrophobicContact CD1-CG 4.31Å; I67-P84 HydrophobicContact CG1-CB 4.46Å; G73-P84 WeakPolarHBondContact O-CD 3.35Å; L75-P84 HydrophobicContact CB-CB 4.09Å; L75-P84 HydrophobicContact CD2-CB 4.36Å; P84-V86 VanDerWaalsContact C-N 3.32Å; P84-V86 PolarHBondContact O-N 2.86Å; P84-I87 PolarHBondContact O-N 3.31Å; P84-Y88 WeakPolarHBondContact O-CD2 3.45Å; P84-Y88 PolarHBondContact O-N 3.28Å; P84-V120 HydrophobicContact CB-CG1 4.46Å; P84-V120 HydrophobicContact CG-CG1 3.7Å; P84-V120 HydrophobicContact CG-CG2 4.22Å; P84-V122 HydrophobicContact CB-CG1 3.82Å
85H95.6Very high92.6Very high5 Ų545.7 Ų45.72%0.02322%0.216CC..Hα-helixtrans-61.5-38.7176.462.4-75000112.2L83 C89 H100 F113 Y127L83-H85 PolarHBondContact O-N 3.32Å; H85-C89 VanDerWaalsContact O-CB 3.27Å; H85-C89 WeakPolarHBondContact O-CB 3.44Å; H85-C89 PolarHBondContact O-N 2.98Å; H85-C89 PolarHBondContact O-SG 3.44Å; H85-H100 VanDerWaalsContact NE2-CB 3.34Å; H85-H100 WeakPolarHBondContact NE2-CB 3.43Å; H85-F113 AromaticContact CE1-CD1 3.29Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.35Å; H85-F113 AromaticContact CE1-CD2 3.57Å; H85-F113 AromaticContact CE1-CE1 3.84Å; H85-F113 AromaticContact CE1-CG 3.14Å; H85-F113 WeakPolarHBondContact CE1-CG 3.32Å; H85-F113 WeakPolarHBondContact ND1-CB 3.38Å; H85-F113 AromaticContact ND1-CD2 3.48Å; H85-F113 WeakPolarHBondContact ND1-CD2 3.32Å; H85-F113 AromaticContact ND1-CG 3.36Å; H85-F113 WeakPolarHBondContact ND1-CG 3.33Å; H85-F113 AromaticContact NE2-CD1 3.95Å; H85-F113 AromaticContact NE2-CG 3.98Å; H85-Y127 HydrophobicContact CB-CD2 4.45Å; H85-Y127 HydrophobicContact CB-CE1 4.17Å; H85-Y127 HydrophobicContact CB-CE2 3.69Å; H85-Y127 WeakPolarHBondContact CB-OH 3.47Å
86V95Very high92.3Very high11 Ų1148.6 Ų48.67%0.06723%0.232CC..Hα-helixtrans-65-45.7175.3-177.90000111.4L83 P84 Y88 C89 R90 L97 H100 L103L83-V86 HydrophobicContact CB-CB 4.11Å; L83-V86 HydrophobicContact CB-CG2 3.76Å; L83-V86 HydrophobicContact CD1-CG2 4.26Å; L83-V86 PolarHBondContact O-N 3.29Å; P84-V86 VanDerWaalsContact C-N 3.32Å; P84-V86 PolarHBondContact O-N 2.86Å; V86-Y88 VanDerWaalsContact C-N 3.3Å; V86-Y88 PolarHBondContact O-N 2.77Å; V86-C89 PolarHBondContact O-N 3.19Å; V86-R90 WeakPolarHBondContact O-CB 3.25Å; V86-R90 PolarHBondContact O-N 3.07Å; V86-L97 HydrophobicContact CG1-CD2 3.91Å; V86-L97 HydrophobicContact CG1-CG 4.34Å; V86-H100 VanDerWaalsContact CG2-CA 3.49Å; V86-H100 HydrophobicContact CG2-CB 3.49Å; V86-H100 VanDerWaalsContact CG2-CB 3.49Å; V86-L103 HydrophobicContact CG2-CD1 4.39Å
87I95.1Very high92.2Very high14 Ų1443.4 Ų43.47%0.07221%0.208CC..Hα-helixtrans-54.7-49179.4-71.7166.4000110.5W30 A34 L75 L83 P84 L91W30-I87 HydrophobicContact CH2-CG1 4.17Å; W30-I87 HydrophobicContact CH2-CG2 3.7Å; W30-I87 HydrophobicContact CZ3-CG2 4.3Å; A34-I87 HydrophobicContact CB-CG2 4.48Å; L75-I87 HydrophobicContact CB-CD1 4.24Å; L75-I87 HydrophobicContact CD2-CD1 4.32Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.39Å; P84-I87 PolarHBondContact O-N 3.31Å; I87-L91 WeakPolarHBondContact O-CB 3.4Å; I87-L91 PolarHBondContact O-N 3.23Å
88Y96.3Very high91.8Very high0 Ų047.5 Ų47.50%023%0.226CC..Hα-helixtrans-81-32.4-174-65.3-57.7000113.1A34 L38 L75 P84 V86 L91 W92 V122A34-Y88 PolarHBondContact O-OH 3.4Å; L38-Y88 HydrophobicContact CB-CE1 3.87Å; L38-Y88 WeakPolarHBondContact CB-OH 3.42Å; L38-Y88 HydrophobicContact CD1-CE2 3.97Å; L38-Y88 HydrophobicContact CD2-CD1 3.91Å; L38-Y88 HydrophobicContact CD2-CD2 4.45Å; L38-Y88 HydrophobicContact CD2-CE1 3.69Å; L38-Y88 HydrophobicContact CD2-CE2 4.25Å; L38-Y88 HydrophobicContact CD2-CG 4.31Å; L38-Y88 HydrophobicContact CG-CE1 4.24Å; L38-Y88 HydrophobicContact CG-CE2 4.49Å; L75-Y88 HydrophobicContact CD2-CE2 3.95Å; L75-Y88 WeakPolarHBondContact CD2-OH 3.49Å; P84-Y88 WeakPolarHBondContact O-CD2 3.45Å; P84-Y88 PolarHBondContact O-N 3.28Å; V86-Y88 VanDerWaalsContact C-N 3.3Å; V86-Y88 PolarHBondContact O-N 2.77Å; Y88-L91 PolarHBondContact O-N 3.49Å; Y88-W92 HydrophobicContact CD1-CE3 4.24Å; Y88-W92 AromaticContact CD1-CH2 3.74Å; Y88-W92 HydrophobicContact CD1-CH2 3.74Å; Y88-W92 AromaticContact CD1-CZ3 3.36Å; Y88-W92 HydrophobicContact CD1-CZ3 3.36Å; Y88-W92 HydrophobicContact CE1-CH2 4.32Å; Y88-W92 HydrophobicContact CE1-CZ3 4.33Å; Y88-W92 HydrophobicContact CG-CE3 4.49Å; Y88-W92 AromaticContact CG-CZ3 3.77Å; Y88-W92 HydrophobicContact CG-CZ3 3.77Å; Y88-W92 PolarHBondContact O-N 3.05Å; Y88-W92 VanDerWaalsContact O-N 3.14Å; Y88-V122 HydrophobicContact CD2-CB 3.63Å; Y88-V122 HydrophobicContact CD2-CG1 3.75Å; Y88-V122 HydrophobicContact CD2-CG2 4.24Å; Y88-V122 HydrophobicContact CE2-CB 4.3Å; Y88-V122 HydrophobicContact CE2-CG1 4.14Å; Y88-V122 HydrophobicContact CG-CB 4.39Å
89C96.2Very high91.7Very high0 Ų045.9 Ų45.90%022%0.215CC..Hα-helixtrans-63.2-42168.2-68.50000111.7H85 V86 L91 R93 W94 L97 L103H85-C89 VanDerWaalsContact O-CB 3.27Å; H85-C89 WeakPolarHBondContact O-CB 3.44Å; H85-C89 PolarHBondContact O-N 2.98Å; H85-C89 PolarHBondContact O-SG 3.44Å; V86-C89 PolarHBondContact O-N 3.19Å; C89-L91 VanDerWaalsContact C-N 3.32Å; C89-L91 PolarHBondContact O-N 3.27Å; C89-R93 WeakPolarHBondContact O-CA 3.32Å; C89-R93 WeakPolarHBondContact O-CB 3.21Å; C89-R93 PolarHBondContact O-N 3.07Å; C89-W94 HydrophobicContact CB-CE3 4.13Å; C89-W94 HydrophobicContact CB-CZ3 4.21Å; C89-W94 PolarHBondContact O-N 2.87Å; C89-W94 VanDerWaalsContact O-N 3.08Å; C89-L97 HydrophobicContact CB-CD2 3.78Å; C89-L103 HydrophobicContact CB-CD1 3.86Å; C89-L103 HydrophobicContact CB-CD2 4.41Å
90R94.4Very high91.9Very high93 Ų9339.8 Ų39.835%0.35119%0.187SC..Hα-helixtrans-61.5-43.1176.1-172.9-173.8-66.7-176.5-2.6111.5V86 W94 P95 L97 H98V86-R90 WeakPolarHBondContact O-CB 3.25Å; V86-R90 PolarHBondContact O-N 3.07Å; R90-W94 VanDerWaalsContact CA-O 3.26Å; R90-W94 WeakPolarHBondContact CA-O 3.21Å; R90-W94 WeakPolarHBondContact CG-O 3.45Å; R90-W94 CarbonylContact O-C 3.48Å; R90-P95 WeakPolarHBondContact CG-O 3.43Å; R90-L97 HydrophobicContact CB-CB 4.33Å; R90-L97 HydrophobicContact CB-CD2 4.43Å; R90-L97 HydrophobicContact CG-CB 4.47Å; R90-L97 PolarHBondContact NE-O 3.03Å; R90-L97 PolarHBondContact NH2-O 2.99Å; R90-H98 PolarHBondContact NH2-O 3.34Å
91L94.7Very high91.8Very high8 Ų835.8 Ų35.84%0.04217%0.173CC..Hα-helixtrans-66.3-43.8-176.5-164.7150.8000112.6K19 K20 C31 A34 V35 I87 Y88 C89K19-L91 CarbonylContact C-O 3.47Å; K19-L91 WeakPolarHBondContact CA-O 3.38Å; K19-L91 HydrophobicContact CB-CD2 4.22Å; K19-L91 HydrophobicContact CG-CD2 4.03Å; K19-L91 HydrophobicContact CG-CG 4.09Å; K19-L91 WeakPolarHBondContact CG-O 3.43Å; K20-L91 PolarHBondContact N-O 3.33Å; C31-L91 HydrophobicContact CB-CD1 4.05Å; A34-L91 HydrophobicContact CB-CD1 4.38Å; V35-L91 HydrophobicContact CG2-CD1 3.85Å; V35-L91 HydrophobicContact CG2-CD2 4.15Å; I87-L91 WeakPolarHBondContact O-CB 3.4Å; I87-L91 PolarHBondContact O-N 3.23Å; Y88-L91 PolarHBondContact O-N 3.49Å; C89-L91 VanDerWaalsContact C-N 3.32Å; C89-L91 PolarHBondContact O-N 3.27Å
92W95.8Very high91.8Very high2 Ų230.9 Ų30.91%0.00815%0.152CC..Hα-helixtrans-105.5-13.1-171.7-72.6-60.5000116L15 K20 V35 L38 L51 I55 Y88 P124L15-W92 HydrophobicContact CB-CZ2 4.26Å; L15-W92 PolarHBondContact O-NE1 3.37Å; K20-W92 VanDerWaalsContact CG-O 3.25Å; K20-W92 WeakPolarHBondContact CG-O 3.46Å; V35-W92 HydrophobicContact CG2-CH2 4.37Å; V35-W92 HydrophobicContact CG2-CZ2 3.91Å; L38-W92 HydrophobicContact CD2-CH2 3.69Å; L38-W92 HydrophobicContact CD2-CZ3 3.98Å; L51-W92 HydrophobicContact CD1-CH2 4.43Å; L51-W92 HydrophobicContact CD1-CZ3 4.35Å; I55-W92 HydrophobicContact CD1-CD2 3.61Å; I55-W92 VanDerWaalsContact CD1-CE2 3.4Å; I55-W92 HydrophobicContact CD1-CE3 3.96Å; I55-W92 HydrophobicContact CD1-CG 4.14Å; I55-W92 HydrophobicContact CD1-CH2 4.02Å; I55-W92 HydrophobicContact CD1-CZ2 3.66Å; I55-W92 HydrophobicContact CD1-CZ3 4.13Å; I55-W92 HydrophobicContact CG1-CD2 4.27Å; I55-W92 HydrophobicContact CG1-CG 4.4Å; Y88-W92 HydrophobicContact CD1-CE3 4.24Å; Y88-W92 AromaticContact CD1-CH2 3.74Å; Y88-W92 HydrophobicContact CD1-CH2 3.74Å; Y88-W92 AromaticContact CD1-CZ3 3.36Å; Y88-W92 HydrophobicContact CD1-CZ3 3.36Å; Y88-W92 HydrophobicContact CE1-CH2 4.32Å; Y88-W92 HydrophobicContact CE1-CZ3 4.33Å; Y88-W92 HydrophobicContact CG-CE3 4.49Å; Y88-W92 AromaticContact CG-CZ3 3.77Å; Y88-W92 HydrophobicContact CG-CZ3 3.77Å; Y88-W92 PolarHBondContact O-N 3.05Å; Y88-W92 VanDerWaalsContact O-N 3.14Å; W92-P124 HydrophobicContact CB-CB 4.46Å; W92-P124 HydrophobicContact CB-CG 4.13Å; W92-P124 HydrophobicContact CE3-CG 4.12Å
93R94.6Very high91.9Very high73 Ų7330.9 Ų30.928%0.27515%0.147SC..THydrogen-bonded Turntrans-129-58.5-176.3-64.1-172.169.9-172.50.2113.7C89 P124 Y125 Y127C89-R93 WeakPolarHBondContact O-CA 3.32Å; C89-R93 WeakPolarHBondContact O-CB 3.21Å; C89-R93 PolarHBondContact O-N 3.07Å; R93-P124 WeakPolarHBondContact CD-O 3.35Å; R93-P124 HydrophobicContact CG-CB 4.05Å; R93-P124 PolarHBondContact NH1-O 2.91Å; R93-Y125 HydrophobicContact CG-CE1 4.34Å; R93-Y127 PolarHBondContact NH1-O 3Å
94W94.1Very high91.8Very high39 Ų3936 Ų3615%0.14816%0.164CC..  trans-126.288.5-168.3-57.6-64.9000111.4C89 R90 D96 L97 L103 Y127 R129C89-W94 HydrophobicContact CB-CE3 4.13Å; C89-W94 HydrophobicContact CB-CZ3 4.21Å; C89-W94 PolarHBondContact O-N 2.87Å; C89-W94 VanDerWaalsContact O-N 3.08Å; R90-W94 VanDerWaalsContact CA-O 3.26Å; R90-W94 WeakPolarHBondContact CA-O 3.21Å; R90-W94 WeakPolarHBondContact CG-O 3.45Å; R90-W94 CarbonylContact O-C 3.48Å; W94-D96 PolarHBondContact O-N 3.05Å; W94-D96 VanDerWaalsContact O-N 3.16Å; W94-L97 HydrophobicContact CB-CB 3.87Å; W94-L97 WeakPolarHBondContact O-CB 3.28Å; W94-L97 PolarHBondContact O-N 3.15Å; W94-L103 HydrophobicContact CE3-CD2 3.68Å; W94-L103 HydrophobicContact CH2-CD2 4.19Å; W94-L103 HydrophobicContact CZ3-CD2 3.31Å; W94-Y127 WeakPolarHBondContact CH2-O 3.36Å; W94-R129 HydrophobicContact CD2-CB 4.17Å; W94-R129 HydrophobicContact CH2-CB 3.99Å; W94-R129 VanDerWaalsContact CH2-N 3.28Å; W94-R129 HydrophobicContact CZ2-CB 3.55Å; W94-R129 HydrophobicContact CZ3-CB 4.48Å
95P90.4Very high91.7Very high58 Ų5837 Ų3738%0.37717%0.172SC..THydrogen-bonded Turntrans-57.1-30.7-177.9-25.535.6000113.8K20 G21 R90 L97K20-P95 VanDerWaalsContact C-CG 3.44Å; K20-P95 HydrophobicContact CB-CG 3.47Å; K20-P95 VanDerWaalsContact CB-CG 3.47Å; G21-P95 VanDerWaalsContact N-CG 3.33Å; R90-P95 WeakPolarHBondContact CG-O 3.43Å; P95-L97 VanDerWaalsContact C-N 3.31Å
96D86.7Confident91.6Very high78 Ų7839.4 Ų39.442%0.41718%0.184SC..THydrogen-bonded Turntrans-86.58.6178.967.5-48.3000113.4W94 H98 R129W94-D96 PolarHBondContact O-N 3.05Å; W94-D96 VanDerWaalsContact O-N 3.16Å; D96-H98 PolarHBondContact O-CE1 3.41Å; D96-H98 PolarHBondContact O-N 2.77Å; D96-H98 PolarHBondContact O-ND1 2.64Å; D96-R129 VanDerWaalsContact CG-NH1 3.27Å; D96-R129 IonicContact OD1-CZ 3.07Å; D96-R129 IonicContact OD1-NH1 3.23Å; D96-R129 PolarHBondContact OD1-NH1 3.08Å; D96-R129 IonicContact OD1-NH2 2.8Å; D96-R129 IonicContact OD2-CZ 2.67Å; D96-R129 IonicContact OD2-NH1 3.71Å; D96-R129 PolarHBondContact OD2-NH1 3.36Å; D96-R129 IonicContact OD2-NH2 2.6Å; D96-R129 PolarHBondContact OD2-NH2 2.89Å
97L89.3Confident91.4Very high0 Ų048.5 Ų48.50%023%0.226CC..  trans-71.6116.4177.1-18073.6000110.4V86 C89 R90 W94 P95 E102 L103V86-L97 HydrophobicContact CG1-CD2 3.91Å; V86-L97 HydrophobicContact CG1-CG 4.34Å; C89-L97 HydrophobicContact CB-CD2 3.78Å; R90-L97 HydrophobicContact CB-CB 4.33Å; R90-L97 HydrophobicContact CB-CD2 4.43Å; R90-L97 HydrophobicContact CG-CB 4.47Å; R90-L97 PolarHBondContact NE-O 3.03Å; R90-L97 PolarHBondContact NH2-O 2.99Å; W94-L97 HydrophobicContact CB-CB 3.87Å; W94-L97 WeakPolarHBondContact O-CB 3.28Å; W94-L97 PolarHBondContact O-N 3.15Å; P95-L97 VanDerWaalsContact C-N 3.31Å; L97-E102 HydrophobicContact CD1-CB 3.54Å; L97-E102 HydrophobicContact CD1-CG 4.36Å; L97-L103 HydrophobicContact CD1-CD2 3.85Å; L97-L103 HydrophobicContact CD1-CG 3.99Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.98Å; L97-L103 HydrophobicContact CD2-CG 3.98Å
98H82.3Confident91.3Very high90 Ų9053.3 Ų53.342%0.41725%0.252SS..  trans-96.7-40.9-176.3-64.887.9000112.6R90 D96 E102R90-H98 PolarHBondContact NH2-O 3.34Å; D96-H98 PolarHBondContact O-CE1 3.41Å; D96-H98 PolarHBondContact O-N 2.77Å; D96-H98 PolarHBondContact O-ND1 2.64Å; H98-E102 WeakPolarHBondContact CA-OE1 3.34Å; H98-E102 PolarHBondContact N-OE1 2.94Å
99S84.4Confident91.3Very high13 Ų1353.6 Ų53.69%0.09125%0.253CS..  trans-128.2152.5-171-175.50000113H101 E102S99-H101 PolarHBondContact O-N 3.49Å; S99-H101 PolarHBondContact OG-N 2.89Å; S99-E102 PolarHBondContact N-OE1 3.45Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 2.97Å
100H87.4Confident91.3Very high45 Ų4559.6 Ų59.621%0.20828%0.281CS..G310 helixtrans-62-24.2169.871-50.9000114.2L83 H85 V86 E102 L103L83-H100 HydrophobicContact CD1-CB 3.61Å; H85-H100 VanDerWaalsContact NE2-CB 3.34Å; H85-H100 WeakPolarHBondContact NE2-CB 3.43Å; V86-H100 VanDerWaalsContact CG2-CA 3.49Å; V86-H100 HydrophobicContact CG2-CB 3.49Å; V86-H100 VanDerWaalsContact CG2-CB 3.49Å; H100-E102 PolarHBondContact O-N 3.34Å; H100-L103 WeakPolarHBondContact O-CB 3.46Å; H100-L103 PolarHBondContact O-N 2.88Å
101H85.2Confident91.4Very high42 Ų4257.6 Ų57.619%0.19428%0.275CS..G310 helixtrans-69.1-19.9-179.5-65-55.1000111.9S99 L103 R295 Y297 I299 E306S99-H101 PolarHBondContact O-N 3.49Å; S99-H101 PolarHBondContact OG-N 2.89Å; H101-L103 PolarHBondContact O-N 2.96Å; H101-R295 PolarHBondContact NE2-NH2 3.32Å; H101-Y297 HydrophobicContact CB-CD2 4.06Å; H101-Y297 HydrophobicContact CB-CE2 4.01Å; H101-Y297 AromaticContact CD2-CD1 3.79Å; H101-Y297 AromaticContact CD2-CD2 3.66Å; H101-Y297 AromaticContact CD2-CE1 3.68Å; H101-Y297 AromaticContact CD2-CE2 3.53Å; H101-Y297 AromaticContact CD2-CG 3.77Å; H101-Y297 AromaticContact CD2-CZ 3.55Å; H101-Y297 AromaticContact CE1-CZ 3.59Å; H101-Y297 AromaticContact CG-CE2 3.69Å; H101-Y297 AromaticContact CG-CZ 3.99Å; H101-Y297 AromaticContact NE2-CD1 3.85Å; H101-Y297 AromaticContact NE2-CE1 3.33Å; H101-Y297 VanDerWaalsContact NE2-CE1 3.33Å; H101-Y297 WeakPolarHBondContact NE2-CE1 3.34Å; H101-Y297 AromaticContact NE2-CE2 3.77Å; H101-Y297 AromaticContact NE2-CZ 3.28Å; H101-Y297 VanDerWaalsContact NE2-CZ 3.28Å; H101-I299 VanDerWaalsContact C-CD1 3.44Å; H101-I299 HydrophobicContact CB-CD1 3.07Å; H101-E306 IonicContact NE2-OE2 3.87Å
102E89.8Confident91.4Very high15 Ų1557.4 Ų57.47%0.0728%0.275CS..G310 helixtrans-75.8-4.1172.2-65.8174.2-10100112.2L97 H98 S99 H100 R129 V130 I299L97-E102 HydrophobicContact CD1-CB 3.54Å; L97-E102 HydrophobicContact CD1-CG 4.36Å; H98-E102 WeakPolarHBondContact CA-OE1 3.34Å; H98-E102 PolarHBondContact N-OE1 2.94Å; S99-E102 PolarHBondContact N-OE1 3.45Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 2.97Å; H100-E102 PolarHBondContact O-N 3.34Å; E102-R129 CarbonylContact O-C 3.55Å; E102-R129 WeakPolarHBondContact O-CA 3.42Å; E102-R129 IonicContact OE2-CZ 3.02Å; E102-R129 IonicContact OE2-NE 3.31Å; E102-R129 IonicContact OE2-NH2 2.82Å; E102-R129 PolarHBondContact OE2-NH2 3.26Å; E102-V130 PolarHBondContact O-N 2.85Å; E102-I299 HydrophobicContact CG-CD1 4.11Å; E102-I299 HydrophobicContact CG-CG1 4.35Å; E102-I299 HydrophobicContact CG-CG2 4.47Å
103L93Very high91.2Very high19 Ų1959 Ų5910%0.09928%0.282CS..EExtended strand (participates in β ladder)trans-111.8131.9179.1-61.9-179.6000110.8V86 C89 W94 L97 H100 H101 Y127 Q128V86-L103 HydrophobicContact CG2-CD1 4.39Å; C89-L103 HydrophobicContact CB-CD1 3.86Å; C89-L103 HydrophobicContact CB-CD2 4.41Å; W94-L103 HydrophobicContact CE3-CD2 3.68Å; W94-L103 HydrophobicContact CH2-CD2 4.19Å; W94-L103 HydrophobicContact CZ3-CD2 3.31Å; L97-L103 HydrophobicContact CD1-CD2 3.85Å; L97-L103 HydrophobicContact CD1-CG 3.99Å; L97-L103 HydrophobicContact CD2-CD1 3.76Å; L97-L103 HydrophobicContact CD2-CD2 3.98Å; L97-L103 HydrophobicContact CD2-CG 3.98Å; H100-L103 WeakPolarHBondContact O-CB 3.46Å; H100-L103 PolarHBondContact O-N 2.88Å; H101-L103 PolarHBondContact O-N 2.96Å; L103-Y127 HydrophobicContact CB-CD1 4.26Å; L103-Y127 HydrophobicContact CD1-CG 4.45Å; L103-Q128 WeakPolarHBondContact CA-O 3.3Å
104R92.6Very high90.9Very high146 Ų14661.1 Ų61.155%0.55130%0.299SS*.EExtended strand (participates in β ladder)trans-109.6131.4165.3-172.1-179.3-60.4164.80.5108.6Y127 Q128 V130R104-Y127 CarbonylContact O-C 3.58Å; R104-Y127 VanDerWaalsContact O-CA 3.3Å; R104-Y127 WeakPolarHBondContact O-CA 3.48Å; R104-Q128 HydrophobicContact CB-CG 3.91Å; R104-Q128 PolarHBondContact N-O 2.89Å; R104-Q128 PolarHBondContact O-N 3.05Å; R104-V130 HydrophobicContact CB-CG2 4.27Å
105A94Very high90.8Very high25 Ų2563.9 Ų63.921%0.20732%0.315CS..EExtended strand (participates in β ladder)trans-70.2143.217300000110.5A112 H126 Y127A105-A112 HydrophobicContact CB-CB 3.42Å; A105-A112 VanDerWaalsContact CB-CB 3.42Å; A105-H126 WeakPolarHBondContact CA-O 3.48Å; A105-Y127 HydrophobicContact CB-CD1 4.16Å; A105-Y127 HydrophobicContact CB-CE1 4.05Å
106M93.6Very high90.8Very high56 Ų5669.5 Ų69.528%0.27633%0.333SS..  trans-67.1148.8171.5-63.1-61.7-67.900110A60 L108 C109 H126 Q128A60-M106 HydrophobicContact CB-CE 4.5Å; M106-L108 PolarHBondContact O-N 3.26Å; M106-C109 WeakPolarHBondContact O-CB 3.36Å; M106-C109 PolarHBondContact O-N 2.6Å; M106-H126 WeakPolarHBondContact CG-O 3.22Å; M106-H126 PolarHBondContact N-O 2.91Å; M106-Q128 HydrophobicContact SD-CB 4.11Å; M106-Q128 HydrophobicContact SD-CG 4.22Å; M106-Q128 PolarHBondContact SD-OE1 3Å
107E90.7Very high91.1Very high202 Ų20269.8 Ų69.894%0.94433%0.33SS*.THydrogen-bonded Turntrans-61-29.7179.7-63.5-176.2172.500112.9C109E107-C109 PolarHBondContact O-N 2.8Å
108L92.7Very high91.3Very high116 Ų11676.7 Ų76.761%0.60737%0.368SS*.THydrogen-bonded Turntrans-75.1-5.3176.9-60.4171.2000113.6M106 E110M106-L108 PolarHBondContact O-N 3.26Å; L108-E110 PolarHBondContact O-N 3.31Å
109C95.3Very high92Very high6 Ų675.3 Ų75.34%0.04136%0.361CS..  trans-84.2101-177.2-173.40000111.3M106 E107 F111 A112 H126M106-C109 WeakPolarHBondContact O-CB 3.36Å; M106-C109 PolarHBondContact O-N 2.6Å; E107-C109 PolarHBondContact O-N 2.8Å; C109-F111 VanDerWaalsContact C-N 3.26Å; C109-F111 PolarHBondContact O-N 3.23Å; C109-A112 HydrophobicContact CB-CB 4.29Å; C109-A112 PolarHBondContact SG-N 3.09Å; C109-A112 VanDerWaalsContact SG-N 3.45Å; C109-H126 HydrophobicContact CB-CB 4.09Å
110E95.6Very high92.6Very high125 Ų12574.8 Ų74.858%0.58436%0.358SS*.THydrogen-bonded Turntrans-71.8-16.8-179.1-62.3-179.3168.600114.2L108 M115 K117L108-E110 PolarHBondContact O-N 3.31Å; E110-M115 VanDerWaalsContact O-SD 3.33Å; E110-K117 WeakPolarHBondContact O-CD 3.27Å; E110-K117 VanDerWaalsContact O-CE 3.3Å; E110-K117 WeakPolarHBondContact O-CE 3.28Å; E110-K117 PolarHBondContact O-NZ 3.36Å
111F96.7Very high93Very high52 Ų5272.7 Ų72.723%0.22835%0.348CS..THydrogen-bonded Turntrans-12330.6-175.8-63.8-92.5000112.1C64 T66 C109 K117 E119 C121C64-F111 HydrophobicContact CB-CD2 3.8Å; T66-F111 HydrophobicContact CG2-CB 3.73Å; T66-F111 HydrophobicContact CG2-CD1 4.02Å; T66-F111 HydrophobicContact CG2-CD2 3.87Å; T66-F111 HydrophobicContact CG2-CE2 4.49Å; T66-F111 HydrophobicContact CG2-CG 3.6Å; C109-F111 VanDerWaalsContact C-N 3.26Å; C109-F111 PolarHBondContact O-N 3.23Å; F111-K117 HydrophobicContact CD1-CD 3.97Å; F111-K117 HydrophobicContact CE1-CD 4.3Å; F111-E119 HydrophobicContact CD1-CB 4.07Å; F111-E119 HydrophobicContact CE1-CB 4.46Å; F111-C121 HydrophobicContact CB-CB 3.94Å; F111-C121 WeakPolarHBondContact O-CB 3.41Å; F111-C121 PolarHBondContact O-N 3.18Å
112A94.8Very high93.6Very high4 Ų470.7 Ų70.73%0.03334%0.338CS..  trans-56.3145.8179.900000112.2A105 C109 N114 M115A105-A112 HydrophobicContact CB-CB 3.42Å; A105-A112 VanDerWaalsContact CB-CB 3.42Å; C109-A112 HydrophobicContact CB-CB 4.29Å; C109-A112 PolarHBondContact SG-N 3.09Å; C109-A112 VanDerWaalsContact SG-N 3.45Å; A112-N114 WeakPolarHBondContact CB-OD1 3.15Å; A112-N114 PolarHBondContact O-N 2.93Å; A112-M115 HydrophobicContact CB-CG 4.08Å; A112-M115 HydrophobicContact CB-SD 4.13Å; A112-M115 WeakPolarHBondContact O-CB 3.49Å; A112-M115 PolarHBondContact O-N 3.48Å
113F92.3Very high93.9Very high35 Ų3570 Ų7015%0.15434%0.335CS..G310 helixtrans-58.6-33.9-174.4179.5-100.1000114R69 L83 H85 M115 V120 Y127R69-F113 PolarHBondContact NH2-O 2.95Å; L83-F113 HydrophobicContact CD1-CE1 4.44Å; L83-F113 HydrophobicContact CD2-CE1 4.14Å; L83-F113 HydrophobicContact CD2-CE2 3.9Å; L83-F113 HydrophobicContact CD2-CZ 3.44Å; L83-F113 VanDerWaalsContact CD2-CZ 3.44Å; H85-F113 AromaticContact CE1-CD1 3.29Å; H85-F113 WeakPolarHBondContact CE1-CD1 3.35Å; H85-F113 AromaticContact CE1-CD2 3.57Å; H85-F113 AromaticContact CE1-CE1 3.84Å; H85-F113 AromaticContact CE1-CG 3.14Å; H85-F113 WeakPolarHBondContact CE1-CG 3.32Å; H85-F113 WeakPolarHBondContact ND1-CB 3.38Å; H85-F113 AromaticContact ND1-CD2 3.48Å; H85-F113 WeakPolarHBondContact ND1-CD2 3.32Å; H85-F113 AromaticContact ND1-CG 3.36Å; H85-F113 WeakPolarHBondContact ND1-CG 3.33Å; H85-F113 AromaticContact NE2-CD1 3.95Å; H85-F113 AromaticContact NE2-CG 3.98Å; F113-M115 VanDerWaalsContact C-N 3.29Å; F113-M115 PolarHBondContact O-N 3Å; F113-V120 HydrophobicContact CB-CG2 4.03Å; F113-V120 HydrophobicContact CD2-CG2 3.77Å; F113-V120 HydrophobicContact CG-CG2 4.41Å; F113-Y127 PolarHBondContact N-OH 3.46Å
114N88.7Confident94.1Very high118 Ų11869 Ų6963%0.63133%0.33SS*.G310 helixtrans-70.7-19.4178.461.4-23000113.8A112 K116A112-N114 WeakPolarHBondContact CB-OD1 3.15Å; A112-N114 PolarHBondContact O-N 2.93Å; N114-K116 PolarHBondContact O-N 2.73Å
115M91.7Very high94.3Very high97 Ų9762.8 Ų62.848%0.47831%0.307SS..G310 helixtrans-73.4-8.1179.2-60.5179.998.500113.6E110 A112 F113 K117E110-M115 VanDerWaalsContact O-SD 3.33Å; A112-M115 HydrophobicContact CB-CG 4.08Å; A112-M115 HydrophobicContact CB-SD 4.13Å; A112-M115 WeakPolarHBondContact O-CB 3.49Å; A112-M115 PolarHBondContact O-N 3.48Å; F113-M115 VanDerWaalsContact C-N 3.29Å; F113-M115 PolarHBondContact O-N 3Å; M115-K117 HydrophobicContact CB-CG 4.23Å; M115-K117 PolarHBondContact O-N 2.74Å
116K89.3Confident94.4Very high175 Ų17561.8 Ų61.876%0.76130%0.298SS*.  trans53.128.1176.8-60.7-179.9-178.31780115.1N114N114-K116 PolarHBondContact O-N 2.73Å
117K93.6Very high94.5Very high84 Ų8459.4 Ų59.437%0.36529%0.286SS..  trans-68.1163.5171.4-64-173.9176.1-177.70111.9R69 E110 F111 M115 E119R69-K117 WeakPolarHBondContact CD-O 3.34Å; R69-K117 PolarHBondContact NE-O 3.07Å; E110-K117 WeakPolarHBondContact O-CD 3.27Å; E110-K117 VanDerWaalsContact O-CE 3.3Å; E110-K117 WeakPolarHBondContact O-CE 3.28Å; E110-K117 PolarHBondContact O-NZ 3.36Å; F111-K117 HydrophobicContact CD1-CD 3.97Å; F111-K117 HydrophobicContact CE1-CD 4.3Å; M115-K117 HydrophobicContact CB-CG 4.23Å; M115-K117 PolarHBondContact O-N 2.74Å; K117-E119 PolarHBondContact O-N 3.31Å
118D94.6Very high94.7Very high146 Ų14653.4 Ų53.478%0.78126%0.258SS*.SBendtrans-60.9-23.3176.9-65.7-28000113.2R69R69-D118 VanDerWaalsContact CB-O 3.22Å; R69-D118 WeakPolarHBondContact CB-O 3.5Å; R69-D118 PolarHBondContact N-O 3.44Å
119E95.6Very high94.6Very high61 Ų6151 Ų5129%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-116.1154.9172.7-62.9-168.7102.700111.4T66 I67 F111 K117T66-E119 HydrophobicContact CG2-CB 4.35Å; T66-E119 PolarHBondContact OG1-OE1 3.13Å; I67-E119 WeakPolarHBondContact O-CA 3.28Å; F111-E119 HydrophobicContact CD1-CB 4.07Å; F111-E119 HydrophobicContact CE1-CB 4.46Å; K117-E119 PolarHBondContact O-N 3.31Å
120V96.6Very high94.3Very high2 Ų252.4 Ų52.41%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-126.4130.6177.8540000110.5T66 I67 P84 F113T66-V120 WeakPolarHBondContact CA-O 3.47Å; I67-V120 HydrophobicContact CD1-CG1 4.38Å; I67-V120 HydrophobicContact CG1-CG1 3.63Å; I67-V120 PolarHBondContact N-O 3.44Å; I67-V120 WeakPolarHBondContact O-CG1 3.37Å; I67-V120 PolarHBondContact O-N 3.17Å; P84-V120 HydrophobicContact CB-CG1 4.46Å; P84-V120 HydrophobicContact CG-CG1 3.7Å; P84-V120 HydrophobicContact CG-CG2 4.22Å; F113-V120 HydrophobicContact CB-CG2 4.03Å; F113-V120 HydrophobicContact CD2-CG2 3.77Å; F113-V120 HydrophobicContact CG-CG2 4.41Å
121C97.4Very high93.5Very high0 Ų054.5 Ų54.50%026%0.259CS..EExtended strand (participates in β ladder)trans-69.1128.2171.5-170.80000110.7C64 I65 F111 N123 H126 Y127C64-C121 HydrophobicContact CB-CB 4.47Å; I65-C121 CarbonylContact O-C 3.4Å; I65-C121 VanDerWaalsContact O-CA 3.26Å; I65-C121 WeakPolarHBondContact O-CA 3.46Å; F111-C121 HydrophobicContact CB-CB 3.94Å; F111-C121 WeakPolarHBondContact O-CB 3.41Å; F111-C121 PolarHBondContact O-N 3.18Å; C121-N123 VanDerWaalsContact SG-CB 3.6Å; C121-N123 PolarHBondContact SG-N 3.25Å; C121-H126 PolarHBondContact SG-ND1 3.05Å; C121-Y127 WeakPolarHBondContact O-CE2 3.5Å; C121-Y127 PolarHBondContact O-OH 2.86Å
122V97.2Very high92.5Very high0 Ų055.1 Ų55.10%027%0.267CS..  trans-115.99.7175.4-64.40000112.6L38 I65 I67 P84 Y88 P124L38-V122 HydrophobicContact CD1-CG2 3.97Å; I65-V122 HydrophobicContact CB-CG2 4.32Å; I65-V122 HydrophobicContact CG2-CG2 3.86Å; I65-V122 VanDerWaalsContact O-CG2 3.31Å; I65-V122 WeakPolarHBondContact O-CG2 3.35Å; I65-V122 PolarHBondContact O-N 2.85Å; I67-V122 HydrophobicContact CD1-CG1 3.92Å; I67-V122 HydrophobicContact CG1-CG1 3.9Å; I67-V122 HydrophobicContact CG2-CG2 4.21Å; P84-V122 HydrophobicContact CB-CG1 3.82Å; Y88-V122 HydrophobicContact CD2-CB 3.63Å; Y88-V122 HydrophobicContact CD2-CG1 3.75Å; Y88-V122 HydrophobicContact CD2-CG2 4.24Å; Y88-V122 HydrophobicContact CE2-CB 4.3Å; Y88-V122 HydrophobicContact CE2-CG1 4.14Å; Y88-V122 HydrophobicContact CG-CB 4.39Å; V122-P124 VanDerWaalsContact O-CD 3.28Å; V122-P124 WeakPolarHBondContact O-CD 3.46Å
123N97Very high91.5Very high0 Ų057 Ų570%028%0.279CS..  trans-64.5113.9172.7-173.9-18.6000109.2T62 K63 I65 C121 Y125 H126 Y127T62-N123 PolarHBondContact OG1-ND2 3.4Å; K63-N123 PolarHBondContact O-ND2 3.28Å; K63-N123 VanDerWaalsContact O-ND2 3.15Å; I65-N123 HydrophobicContact CB-CB 4.14Å; I65-N123 HydrophobicContact CD1-CB 3.68Å; I65-N123 HydrophobicContact CG1-CB 4.05Å; C121-N123 VanDerWaalsContact SG-CB 3.6Å; C121-N123 PolarHBondContact SG-N 3.25Å; N123-Y125 PolarHBondContact O-N 3.35Å; N123-Y125 VanDerWaalsContact O-N 3.15Å; N123-Y125 PolarHBondContact OD1-N 3.05Å; N123-H126 HydrophobicContact CB-CB 4.1Å; N123-H126 PolarHBondContact ND2-CD2 3.35Å; N123-H126 PolarHBondContact ND2-NE2 3.5Å; N123-H126 WeakPolarHBondContact O-CB 3.49Å; N123-H126 PolarHBondContact O-N 3.14Å; N123-Y127 VanDerWaalsContact O-CD2 3.3Å; N123-Y127 WeakPolarHBondContact O-CD2 3.49Å
124P96Very high90.8Very high0 Ų062 Ų620%031%0.312CS..G310 helixtrans-66.7-17.7-175.929-36.1000113.3W92 R93 V122W92-P124 HydrophobicContact CB-CB 4.46Å; W92-P124 HydrophobicContact CB-CG 4.13Å; W92-P124 HydrophobicContact CE3-CG 4.12Å; R93-P124 WeakPolarHBondContact CD-O 3.35Å; R93-P124 HydrophobicContact CG-CB 4.05Å; R93-P124 PolarHBondContact NH1-O 2.91Å; V122-P124 VanDerWaalsContact O-CD 3.28Å; V122-P124 WeakPolarHBondContact O-CD 3.46Å
125Y96.4Very high90.6Very high15 Ų1557.3 Ų57.36%0.05929%0.287CS..G310 helixtrans-89.4-2.5176.7-61.7-80.6000113.4A54 Q58 A60 R93 N123 Y127A54-Y125 WeakPolarHBondContact O-CD2 3.34Å; A54-Y125 WeakPolarHBondContact O-CE2 3.48Å; Q58-Y125 VanDerWaalsContact CA-CE1 3.48Å; Q58-Y125 HydrophobicContact CB-CD1 4.07Å; Q58-Y125 HydrophobicContact CB-CE1 3.4Å; Q58-Y125 VanDerWaalsContact CB-CE1 3.4Å; Q58-Y125 HydrophobicContact CB-CE2 4.38Å; Q58-Y125 HydrophobicContact CG-CE1 3.93Å; Q58-Y125 HydrophobicContact CG-CE2 4.43Å; Q58-Y125 VanDerWaalsContact CG-OH 3.23Å; Q58-Y125 WeakPolarHBondContact CG-OH 3.45Å; Q58-Y125 WeakPolarHBondContact O-CD1 3.27Å; Q58-Y125 PolarHBondContact OE1-OH 3.47Å; A60-Y125 WeakPolarHBondContact CB-O 3.36Å; R93-Y125 HydrophobicContact CG-CE1 4.34Å; N123-Y125 PolarHBondContact O-N 3.35Å; N123-Y125 VanDerWaalsContact O-N 3.15Å; N123-Y125 PolarHBondContact OD1-N 3.05Å; Y125-Y127 VanDerWaalsContact C-N 3.29Å
126H96.9Very high90.2Very high4 Ų457 Ų572%0.01929%0.292CS..G310 helixtrans-91.14.9169.5-71.6-169.7000113.2A60 T62 K63 C64 A105 M106 C109 C121 N123A60-H126 PolarHBondContact O-CD2 2.9Å; A60-H126 VanDerWaalsContact O-CD2 3.23Å; A60-H126 PolarHBondContact O-NE2 2.98Å; A60-H126 VanDerWaalsContact O-NE2 3.07Å; T62-H126 PolarHBondContact O-CE1 3.4Å; T62-H126 PolarHBondContact O-NE2 3.37Å; K63-H126 VanDerWaalsContact C-CE1 3.44Å; K63-H126 PolarHBondContact O-CE1 3.17Å; C64-H126 PolarHBondContact N-CE1 2.63Å; A105-H126 WeakPolarHBondContact CA-O 3.48Å; M106-H126 WeakPolarHBondContact CG-O 3.22Å; M106-H126 PolarHBondContact N-O 2.91Å; C109-H126 HydrophobicContact CB-CB 4.09Å; C121-H126 PolarHBondContact SG-ND1 3.05Å; N123-H126 HydrophobicContact CB-CB 4.1Å; N123-H126 PolarHBondContact ND2-CD2 3.35Å; N123-H126 PolarHBondContact ND2-NE2 3.5Å; N123-H126 WeakPolarHBondContact O-CB 3.49Å; N123-H126 PolarHBondContact O-N 3.14Å
127Y96.4Very high89.9Confident5 Ų551.7 Ų51.72%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-123.5142.7173-60.6-86.5000108.5H85 R93 W94 L103 R104 A105 F113 C121 N123 Y125H85-Y127 HydrophobicContact CB-CD2 4.45Å; H85-Y127 HydrophobicContact CB-CE1 4.17Å; H85-Y127 HydrophobicContact CB-CE2 3.69Å; H85-Y127 WeakPolarHBondContact CB-OH 3.47Å; R93-Y127 PolarHBondContact NH1-O 3Å; W94-Y127 WeakPolarHBondContact CH2-O 3.36Å; L103-Y127 HydrophobicContact CB-CD1 4.26Å; L103-Y127 HydrophobicContact CD1-CG 4.45Å; R104-Y127 CarbonylContact O-C 3.58Å; R104-Y127 VanDerWaalsContact O-CA 3.3Å; R104-Y127 WeakPolarHBondContact O-CA 3.48Å; A105-Y127 HydrophobicContact CB-CD1 4.16Å; A105-Y127 HydrophobicContact CB-CE1 4.05Å; F113-Y127 PolarHBondContact N-OH 3.46Å; C121-Y127 WeakPolarHBondContact O-CE2 3.5Å; C121-Y127 PolarHBondContact O-OH 2.86Å; N123-Y127 VanDerWaalsContact O-CD2 3.3Å; N123-Y127 WeakPolarHBondContact O-CD2 3.49Å; Y125-Y127 VanDerWaalsContact C-N 3.29Å
128Q93.9Very high89.5Confident76 Ų7647.8 Ų47.836%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-113.2145.9168.864.1-177.624.800108.7L103 R104 M106L103-Q128 WeakPolarHBondContact CA-O 3.3Å; R104-Q128 HydrophobicContact CB-CG 3.91Å; R104-Q128 PolarHBondContact N-O 2.89Å; R104-Q128 PolarHBondContact O-N 3.05Å; M106-Q128 HydrophobicContact SD-CB 4.11Å; M106-Q128 HydrophobicContact SD-CG 4.22Å; M106-Q128 PolarHBondContact SD-OE1 3Å
129R91.4Very high89.1Confident67 Ų6745.1 Ų45.125%0.25324%0.244SC..EExtended strand (participates in β ladder)trans-72.7139.7173.4-164.3170.8-169.9173.23108.4W94 D96 E102 E131W94-R129 HydrophobicContact CD2-CB 4.17Å; W94-R129 HydrophobicContact CH2-CB 3.99Å; W94-R129 VanDerWaalsContact CH2-N 3.28Å; W94-R129 HydrophobicContact CZ2-CB 3.55Å; W94-R129 HydrophobicContact CZ3-CB 4.48Å; D96-R129 VanDerWaalsContact CG-NH1 3.27Å; D96-R129 IonicContact OD1-CZ 3.07Å; D96-R129 IonicContact OD1-NH1 3.23Å; D96-R129 PolarHBondContact OD1-NH1 3.08Å; D96-R129 IonicContact OD1-NH2 2.8Å; D96-R129 IonicContact OD2-CZ 2.67Å; D96-R129 IonicContact OD2-NH1 3.71Å; D96-R129 PolarHBondContact OD2-NH1 3.36Å; D96-R129 IonicContact OD2-NH2 2.6Å; D96-R129 PolarHBondContact OD2-NH2 2.89Å; E102-R129 CarbonylContact O-C 3.55Å; E102-R129 WeakPolarHBondContact O-CA 3.42Å; E102-R129 IonicContact OE2-CZ 3.02Å; E102-R129 IonicContact OE2-NE 3.31Å; E102-R129 IonicContact OE2-NH2 2.82Å; E102-R129 PolarHBondContact OE2-NH2 3.26Å; R129-E131 PolarHBondContact O-N 3.19Å
130V88.8Confident88.5Confident35 Ų3542.3 Ų42.321%0.21223%0.231CC..  trans-73.8110.9171.3-177.70000107.3E102 R104 I299E102-V130 PolarHBondContact O-N 2.85Å; R104-V130 HydrophobicContact CB-CG2 4.27Å; V130-I299 HydrophobicContact CB-CG2 3.83Å; V130-I299 HydrophobicContact CG1-CG2 3.85Å; V130-I299 HydrophobicContact CG2-CG2 4.38Å
131E79.3Confident87.7Confident168 Ų16843.4 Ų43.479%0.78524%0.238SC*.PPolyproline II helixtrans-81.7143.6175.7-66.2179.9176.900110.4R129 P133R129-E131 PolarHBondContact O-N 3.19Å; E131-P133 WeakPolarHBondContact O-CD 3.31Å
132T74.9Confident86.2Confident66 Ų6648.5 Ų48.541%0.40526%0.257SS..PPolyproline II helixtrans-76.3118.9170.1-58.30000108.4
133P73.6Confident84.4Confident43 Ų4355.5 Ų55.528%0.27929%0.29SS..PPolyproline II helixtrans-66139-179.827.4-32.3000110.1E131 L135 G300 Q346E131-P133 WeakPolarHBondContact O-CD 3.31Å; P133-L135 PolarHBondContact O-N 2.9Å; P133-G300 WeakPolarHBondContact CD-O 3.4Å; P133-Q346 HydrophobicContact CG-CG 4.13Å
134V78.3Confident81.8Confident141 Ų14161.5 Ų61.586%0.85533%0.326SS*.PPolyproline II helixtrans-67.1122.3172.9-1770000108.5
135L83.4Confident79.3Confident19 Ų1969.6 Ų69.610%0.09936%0.364CS..PPolyproline II helixtrans-83.1135.5179-59.6172.3000109.8P133 Y226 N345 Q346 A349 W406P133-L135 PolarHBondContact O-N 2.9Å; L135-Y226 HydrophobicContact CD1-CD1 3.94Å; L135-Y226 HydrophobicContact CD1-CD2 4.11Å; L135-Y226 HydrophobicContact CD1-CE1 4.29Å; L135-Y226 HydrophobicContact CD1-CE2 4.42Å; L135-Y226 HydrophobicContact CD1-CG 3.84Å; L135-N345 HydrophobicContact CD1-CB 3.82Å; L135-N345 HydrophobicContact CD2-CB 4.28Å; L135-Q346 HydrophobicContact CD2-CB 4.36Å; L135-Q346 HydrophobicContact CD2-CG 3.68Å; L135-A349 HydrophobicContact CD2-CB 4.41Å; L135-W406 HydrophobicContact CB-CH2 3.71Å; L135-W406 HydrophobicContact CB-CZ3 4.06Å; L135-W406 HydrophobicContact CD1-CE3 4.41Å; L135-W406 HydrophobicContact CD1-CH2 4.19Å; L135-W406 HydrophobicContact CD1-CZ3 3.63Å; L135-W406 HydrophobicContact CG-CZ3 4.39Å
136P83.6Confident76.8Confident89 Ų8976.3 Ų76.358%0.57840%0.399SS*.PPolyproline II helixtrans-65.7147177.828.4-34.2000110.5W406P136-W406 WeakPolarHBondContact O-CH2 3.48Å; P136-W406 VanDerWaalsContact O-CZ2 3.27Å; P136-W406 WeakPolarHBondContact O-CZ2 3.38Å
137P82.4Confident74Confident64 Ų6480.7 Ų80.742%0.41643%0.428SS..PPolyproline II helixtrans-63.9143.117527.1-33.3000111P223 V224 T225P137-P223 HydrophobicContact CB-CB 3.91Å; P137-P223 HydrophobicContact CG-CB 4.35Å; P137-V224 WeakPolarHBondContact CA-O 3.29Å; P137-T225 HydrophobicContact CB-CG2 4.2Å
138V86.8Confident71.6Confident2 Ų285.3 Ų85.31%0.01247%0.468CS..EExtended strand (participates in β ladder)trans-84.1126.6171.9171.90000108.2V140 V224 L352 A353 V356 W406 V410V138-V140 HydrophobicContact CG1-CG2 4.37Å; V138-V224 PolarHBondContact N-O 3.45Å; V138-V224 PolarHBondContact O-N 2.87Å; V138-L352 HydrophobicContact CG1-CG 4.41Å; V138-L352 HydrophobicContact CG2-CB 4.49Å; V138-L352 HydrophobicContact CG2-CD2 3.98Å; V138-L352 HydrophobicContact CG2-CG 3.98Å; V138-A353 HydrophobicContact CG2-CB 4.35Å; V138-V356 HydrophobicContact CG1-CG2 3.69Å; V138-W406 HydrophobicContact CB-CZ2 4.47Å; V138-W406 HydrophobicContact CG2-CH2 4.3Å; V138-W406 HydrophobicContact CG2-CZ2 3.57Å; V138-V410 HydrophobicContact CB-CG2 4.15Å; V138-V410 HydrophobicContact CG1-CG2 3.91Å
139L84.9Confident69.1Low90 Ų9089.8 Ų89.847%0.47149%0.488SS..EExtended strand (participates in β ladder)trans-89122.1178.6-58.1-178.1000109.6L221 Q222 P223L139-L221 HydrophobicContact CB-CB 4.4Å; L139-L221 HydrophobicContact CB-CD2 4.47Å; L139-L221 HydrophobicContact CD1-CD1 4.15Å; L139-Q222 WeakPolarHBondContact CA-O 3.45Å; L139-P223 HydrophobicContact CD2-CB 3.99Å
140V84.4Confident66.7Low2 Ų295.9 Ų95.91%0.01252%0.517CS..EExtended strand (participates in β ladder)trans-109.2124.9179-173.30000109.9V138 R142 Q222 V224 V356 V410 Q413 M414V138-V140 HydrophobicContact CG1-CG2 4.37Å; V140-R142 PolarHBondContact O-N 2.77Å; V140-Q222 PolarHBondContact N-O 3.32Å; V140-Q222 PolarHBondContact O-N 2.72Å; V140-V224 HydrophobicContact CG2-CG2 3.83Å; V140-V356 HydrophobicContact CG1-CG1 4.49Å; V140-V410 HydrophobicContact CG2-CB 4.4Å; V140-V410 HydrophobicContact CG2-CG1 3.88Å; V140-V410 HydrophobicContact CG2-CG2 4.28Å; V140-Q413 HydrophobicContact CB-CB 4.28Å; V140-Q413 HydrophobicContact CG1-CB 3.9Å; V140-M414 HydrophobicContact CG1-CG 3.56Å
141P78.3Confident64.8Low25 Ų2599.2 Ų99.216%0.16254%0.539CS..EExtended strand (participates in β ladder)trans-62.8125.6170.4-20.932.8000111.2H143 L219 L221 V356P141-H143 PolarHBondContact O-N 2.89Å; P141-L219 HydrophobicContact CB-CD2 3.87Å; P141-L219 HydrophobicContact CG-CD2 4.49Å; P141-L221 HydrophobicContact CB-CD2 4.31Å; P141-L221 HydrophobicContact CG-CD2 4.02Å; P141-V356 VanDerWaalsContact CD-CG1 3.48Å; P141-V356 HydrophobicContact CG-CG1 4.46Å
142R67.3Low63.3Low108 Ų10896.6 Ų96.641%0.40854%0.537SS..  trans-71.2121.6167.3-80175.6158.1179.1-6.8110.1V140 T144 D220 Q222V140-R142 PolarHBondContact O-N 2.77Å; R142-T144 PolarHBondContact O-N 3.36Å; R142-D220 HydrophobicContact CB-CB 4.42Å; R142-D220 WeakPolarHBondContact CB-O 3.36Å; R142-D220 WeakPolarHBondContact CD-OD2 3.43Å; R142-D220 IonicContact CZ-OD2 3.69Å; R142-D220 PolarHBondContact N-O 2.89Å; R142-D220 VanDerWaalsContact N-O 3.08Å; R142-D220 IonicContact NE-OD2 3.85Å; R142-D220 IonicContact NH1-OD2 2.75Å; R142-D220 PolarHBondContact NH1-OD2 2.92Å; R142-Q222 HydrophobicContact CG-CG 3.96Å; R142-Q222 VanDerWaalsContact CZ-NE2 3.34Å; R142-Q222 VanDerWaalsContact NE-CG 3.31Å
143H58.1Low62.1Low147 Ų147101.7 Ų101.768%0.68156%0.561SS**  trans-84.387.9159.2-70.7-12.1000108.4P141 E145P141-H143 PolarHBondContact O-N 2.89Å; H143-E145 PolarHBondContact O-N 3.01Å
144T43.9Very low61Low126 Ų126105.7 Ų105.777%0.77358%0.58SS**  trans-76.671.3159.340.50000108.7R142R142-T144 PolarHBondContact O-N 3.36Å
145E43.2Very low59.4Low169 Ų169105.3 Ų105.379%0.7957%0.573SS**  trans-11478.2161.5-71.5-171.1-169.300107.7H143 P147H143-E145 PolarHBondContact O-N 3.01Å; E145-P147 WeakPolarHBondContact O-CD 3.34Å
146I42.5Very low57.7Low157 Ų157113.3 Ų113.381%0.80560%0.603SS**  trans-84.2112.1143.9-57.3171.8000103A148I146-A148 PolarHBondContact O-N 3.23Å
147P38.1Very low56Low95 Ų95112 Ų11262%0.61760%0.596SS**  trans-58.3114.1170.9-18.430.5000107.5E145 E149E145-P147 WeakPolarHBondContact O-CD 3.34Å; P147-E149 PolarHBondContact O-N 3.49Å
148A47.3Very low54.5Low103 Ų103117.3 Ų117.385%0.85162%0.615SS**SBendtrans-72.3-0.3173.800000112.2I146I146-A148 PolarHBondContact O-N 3.23Å
149E40.2Very low52.7Low170 Ų170120.8 Ų120.879%0.79464%0.639SS**  trans-126.6106.5174.3-71.2-179.9167.200108.6P147P147-E149 PolarHBondContact O-N 3.49Å
150F42.3Very low50.7Low194 Ų194123.6 Ų123.685%0.85165%0.653SS**PPolyproline II helixtrans-60.2135.9154.6-74.3-87.9000107.1
151P47.4Very low48.7Very low105 Ų105128.6 Ų128.668%0.68269%0.686SS**PPolyproline II helixtrans-54.2138.7166.6-14.726.5000107.7L153P151-L153 PolarHBondContact O-N 3.04Å; P151-L153 VanDerWaalsContact O-N 3.09Å
152P48.5Very low47.3Very low114 Ų114136.7 Ų136.774%0.7472%0.721SS**PPolyproline II helixtrans-54.7125.217023.2-29.8000107.1D154P152-D154 PolarHBondContact O-N 2.7Å; P152-D154 VanDerWaalsContact O-N 3.08Å
153L49.7Very low46.3Very low172 Ų172139 Ų13990%0.90174%0.742SS**  trans-62.2113.4169.1-71.3170.1000105.9P151 D155P151-L153 PolarHBondContact O-N 3.04Å; P151-L153 VanDerWaalsContact O-N 3.09Å; L153-D155 PolarHBondContact O-N 3.35Å
154D50.3Low45.3Very low127 Ų127137.2 Ų137.268%0.67974%0.741SS**  trans-55.9127.2168.1-72.8-38.3000107.8P152 Y156P152-D154 PolarHBondContact O-N 2.7Å; P152-D154 VanDerWaalsContact O-N 3.08Å; D154-Y156 HydrophobicContact CB-CE2 4.47Å; D154-Y156 WeakPolarHBondContact O-CD2 3.1Å; D154-Y156 PolarHBondContact O-N 3.35Å
155D45.1Very low45Very low133 Ų133139.2 Ų139.271%0.71175%0.747SS**  trans-64.897.7177.7-173.627.3000108.7L153 S157L153-D155 PolarHBondContact O-N 3.35Å; D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 WeakPolarHBondContact OD1-CB 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.92Å; D155-S157 WeakPolarHBondContact OD2-CB 3.33Å; D155-S157 PolarHBondContact OD2-OG 3.12Å
156Y48.2Very low44.7Very low188 Ų188139.4 Ų139.474%0.73775%0.746SS**G310 helixtrans-74.733.5174.1-88.5-88.2000112.1D154 H158D154-Y156 HydrophobicContact CB-CE2 4.47Å; D154-Y156 WeakPolarHBondContact O-CD2 3.1Å; D154-Y156 PolarHBondContact O-N 3.35Å; Y156-H158 PolarHBondContact O-N 3.48Å
157S48.1Very low44.4Very low61 Ų61137.8 Ų137.843%0.42775%0.746SS.*G310 helixtrans-70.2-6.8173.5590000113D155D155-S157 PolarHBondContact O-N 3.44Å; D155-S157 WeakPolarHBondContact OD1-CB 3.12Å; D155-S157 PolarHBondContact OD1-OG 2.92Å; D155-S157 WeakPolarHBondContact OD2-CB 3.33Å; D155-S157 PolarHBondContact OD2-OG 3.12Å
158H50.8Low44.2Very low176 Ų176138.3 Ų138.382%0.81576%0.758SS**G310 helixtrans-130.557.3-179.8-62.7-57.7000113.9Y156Y156-H158 PolarHBondContact O-N 3.48Å
159S48Very low43.5Very low74 Ų74136.6 Ų136.652%0.51775%0.75SS.*  trans-145.766.4158.766.70000111.4
160I43Very low43.1Very low149 Ų149136.8 Ų136.876%0.76476%0.755SS**  trans-89118158.1-58.8-178.3000106.5E162I160-E162 PolarHBondContact O-N 3.08Å
161P42.8Very low42.5Very low107 Ų107136 Ų13670%0.69575%0.754SS**  trans-67.7124.4167.4-13.428000109.5N163P161-N163 PolarHBondContact O-N 2.92Å
162E49.1Very low42.6Very low195 Ų195136 Ų13691%0.91175%0.754SS**SBendtrans-65.578.4167.9-76.1179.7141.600110I160I160-E162 PolarHBondContact O-N 3.08Å
163N46.2Very low41.7Very low158 Ų158140.1 Ų140.185%0.84576%0.763SS**  trans-162.427.6160.7-120.6-18.7000117P161P161-N163 PolarHBondContact O-N 2.92Å
164T35.7Very low41Very low108 Ų108136.6 Ų136.666%0.66375%0.753SS**  trans-10998.8171.633.80000111.3F166T164-F166 HydrophobicContact CG2-CE2 4.25Å
165N38Very low40.1Very low168 Ų168137.7 Ų137.790%0.89876%0.759SS**  trans-89.8106168.9-149.255.8000108.4
166F37.4Very low39.6Very low173 Ų173138 Ų13876%0.75976%0.759SS**PPolyproline II helixtrans-101.5136.2167.3-79-84000109.5T164 A168T164-F166 HydrophobicContact CG2-CE2 4.25Å; F166-A168 PolarHBondContact O-N 3.3Å
167P36.6Very low39.2Very low123 Ų123135 Ų13580%0.79976%0.762SS**PPolyproline II helixtrans-69131178.528.2-31.2000110.3
168A34.3Very low38.5Very low107 Ų107140.1 Ų140.188%0.88478%0.78SS**PPolyproline II helixtrans-62.9143.3176.100000112.2F166F166-A168 PolarHBondContact O-N 3.3Å
169G32.7Very low37.7Very low66 Ų66138.4 Ų138.468%0.6878%0.782SS**  trans164.4108.4159.300000115.5
170I31.8Very low37.4Very low175 Ų175140 Ų14090%0.89779%0.791SS**  trans99.593.6153.2-46.8158.5000116.1
171E29.6Very low38Very low177 Ų177138.4 Ų138.483%0.82779%0.79SS**  trans-98.2176.7145-77.4-161.3143.900109
172P48.5Very low38.2Very low105 Ų105139.4 Ų139.468%0.68280%0.796SS**  cis-133.2155.7-48.535.1-20.2000110.9
173Q29.2Very low37.2Very low200 Ų200133.4 Ų133.494%0.93579%0.787SS**  trans-141.6122.2157.6-78.9-167.2-3200112.9
174S36.5Very low36.7Very low98 Ų98135.6 Ų135.669%0.68579%0.785SS**  trans-60147.6170.648.90000114.6
175N30.8Very low36.4Very low151 Ų151138.3 Ų138.381%0.80779%0.794SS**  trans-169.297.4135.6-94.1-19.6000112.8
176I34.3Very low36.5Very low138 Ų138133.8 Ų133.871%0.70878%0.776SS**  trans8.8160.8134.18.9174.3000120.1
177P39.7Very low36.3Very low125 Ų125133.5 Ų133.581%0.81278%0.777SS**  cis-141.5158.724.233.7-9.3000121.9
178E33.2Very low36.2Very low169 Ų169134.8 Ų134.879%0.7978%0.777SS**  trans-72.1156.9164.3-61.217511100113.8
179T35.2Very low36Very low140 Ų140132.5 Ų132.586%0.85976%0.764SS**  trans-176.5160.9130.3170000111.5
180P40.4Very low36Very low109 Ų109138.2 Ų138.271%0.70877%0.773SS**  -124.5-177.2-118.621.35000115.5
181P56.8Low36Very low114 Ų114135.2 Ų135.274%0.7476%0.763SS**  trans-77.4-178.9163.137.5-37.2000110.5
182P45.5Very low36Very low128 Ų128131.6 Ų131.683%0.83176%0.757SS**  cis-159.5-167.137.342.2-16.7000118.4
183G28.7Very low35.1Very low69 Ų69132.6 Ų132.671%0.71176%0.757SS**  trans102.8105.814600000117.5
184Y36.8Very low35.2Very low205 Ų205130.8 Ų130.880%0.80475%0.748SS**  61.1124.281.9-146.9-86.6000115.9
185L27.6Very low34.9Very low165 Ų165134.5 Ų134.586%0.86475%0.754SS**  trans178.1145.8135.9-91.7156.7000112
186S40Very low34.7Very low73 Ų73135.4 Ų135.451%0.5176%0.756SS.*  trans-110.1-172.6-165-57.30000113.2
187E34.8Very low34.4Very low167 Ų167136.2 Ų136.278%0.7876%0.761SS**  trans85.3141.2159.9-70.3174.412200116.9
188D35Very low33.9Very low149 Ų149138.3 Ų138.380%0.79776%0.76SS**  cis-167.6169.313.5-108.8-28.1000112.1
189G29.1Very low33.7Very low59 Ų59135 Ų13561%0.60876%0.756SS**  trans132.883.215300000116.8
190E32.5Very low33.5Very low187 Ų187136.9 Ų136.987%0.87476%0.757SS**  75132.2101.1-76.7-166131.200115.3
191T31.9Very low32.9Very low112 Ų112139.2 Ų139.269%0.68776%0.763SS**  cis-165.3148.526.428.10000112.3
192S29.1Very low31.7Very low100 Ų100137.9 Ų137.970%0.69976%0.762SS**  trans70.6144138.4-63.60000122.3
193D29.8Very low30.9Very low127 Ų127135.1 Ų135.168%0.67976%0.757SS**  cis-175.3169.4-21.3-123.3-44.7000108.4
194H32.3Very low31.1Very low161 Ų161137.7 Ų137.775%0.74576%0.764SS**  trans94.1129.5164.3-54.7-54.2000118.4
195Q28.9Very low31.6Very low176 Ų176133.2 Ų133.282%0.82276%0.76SS**  cis-169142.9-14.3-160.516614.700107.7
196M27.6Very low31.8Very low171 Ų171132 Ų13284%0.84275%0.754SS**  trans-66.3151167.6-64.8-175.8170.700112.1
197N28.5Very low31.5Very low154 Ų154136.3 Ų136.382%0.82477%0.771SS**  -176146.7102.3-120.5-7.7000115.5
198H28.8Very low31.4Very low170 Ų170134 Ų13479%0.78777%0.773SS**  trans-62.8155.6167.4-82.4-95.4000113.7
199S27.8Very low31.6Very low99 Ų99132.8 Ų132.869%0.69277%0.773SS**  133.6120.5124.2-59.60000116.5
200M31.9Very low31.9Very low179 Ų179137.6 Ų137.688%0.88279%0.785SS**  trans78111.5133.2-51.3-90-173.100120.9
201D28.4Very low32.2Very low159 Ų159134 Ų13485%0.8578%0.778SS**  100.3136.5118.4-152.128.5000122
202A30.9Very low32.4Very low85 Ų85137.4 Ų137.470%0.70279%0.788SS**  trans58.7109.2153.200000121.8
203G28.2Very low32.6Very low71 Ų71137.8 Ų137.873%0.73279%0.791SS**  117.882.8116.400000119.2
204S32.9Very low33.1Very low123 Ų123136.7 Ų136.786%0.8679%0.791SS**  trans57.4166.5142.1-63.80000120.3
205P48.2Very low33.4Very low110 Ų110133.7 Ų133.771%0.71479%0.794SS**  cis-131.8-170.6-7.432.7-10.2000114.6
206N30.8Very low33.9Very low141 Ų141133.2 Ų133.275%0.75479%0.791SS**  trans101.182.8153.2-71.8-13.1000120.5
207L35Very low34.6Very low163 Ų163132.3 Ų132.385%0.85379%0.79SS**  13.8111.9117.7-68.9160.7000117.8
208S32.9Very low35.3Very low117 Ų117132.2 Ų132.282%0.81879%0.789SS**  trans-160134.7133.2-73.40000109.3
209P38.9Very low36.6Very low125 Ų125129.6 Ų129.681%0.81278%0.78SS**PPolyproline II helixtrans-84.9123.8-17231.9-31.1000111.6
210N35Very low38.7Very low159 Ų159129 Ų12985%0.8577%0.769SS**PPolyproline II helixtrans-71.6131.2161.8-103.13000108.9M212N210-M212 PolarHBondContact O-N 2.95Å
211P39.2Very low41Very low113 Ų113124.3 Ų124.373%0.73475%0.747SS**PPolyproline II helixtrans-70.9127.6170.524.8-23.8000109.2S213P211-S213 PolarHBondContact O-N 3.39Å; P211-S213 VanDerWaalsContact O-N 3.17Å
212M34.7Very low43.4Very low183 Ų183119.7 Ų119.790%0.90172%0.721SS**  trans-55.7115.8169.2-70.2176.468.600109.6N210N210-M212 PolarHBondContact O-N 2.95Å
213S34.3Very low46.1Very low108 Ų108119.6 Ų119.676%0.75571%0.713SS**  trans-66129.9159.4-43.80000107.9P211P211-S213 PolarHBondContact O-N 3.39Å; P211-S213 VanDerWaalsContact O-N 3.17Å
214P41Very low48.9Very low104 Ų104116.4 Ų116.468%0.67568%0.68SS**  trans-66.2141.4172.621.8-20.4000109.1H216P214-H216 PolarHBondContact O-N 3.21Å
215A38.7Very low51.5Low98 Ų98114.5 Ų114.581%0.8166%0.663SS**  trans-53.310117500000110.2N217A215-N217 PolarHBondContact O-N 3.09Å
216H38.6Very low53.4Low166 Ų166111.3 Ų111.377%0.76964%0.637SS**  trans-73.3112.4162.2-83.8-67.2000106.9P214 N218P214-H216 PolarHBondContact O-N 3.21Å; H216-N218 PolarHBondContact O-N 3.32Å
217N41.6Very low55.8Low152 Ų152107.2 Ų107.281%0.81362%0.618SS**  trans-54.293.4156.8-78.8-18.2000107.4A215 L219A215-N217 PolarHBondContact O-N 3.09Å; N217-L219 VanDerWaalsContact C-N 3.28Å; N217-L219 PolarHBondContact O-N 2.86Å
218N42.9Very low58.1Low152 Ų152104.4 Ų104.481%0.81360%0.601SS**  trans-70.791169.8-104.2-11.1000106.8H216 D220H216-N218 PolarHBondContact O-N 3.32Å; N218-D220 PolarHBondContact O-N 2.84Å; N218-D220 VanDerWaalsContact O-N 3.08Å
219L57.6Low60.8Low114 Ų114100.4 Ų100.460%0.59757%0.572SS**  trans-60.1110.4157.5-81.3119.4000106.4P141 N217 L221P141-L219 HydrophobicContact CB-CD2 3.87Å; P141-L219 HydrophobicContact CG-CD2 4.49Å; N217-L219 VanDerWaalsContact C-N 3.28Å; N217-L219 PolarHBondContact O-N 2.86Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 HydrophobicContact CB-CD2 4.46Å; L219-L221 HydrophobicContact CB-CG 4.42Å; L219-L221 PolarHBondContact O-N 2.82Å
220D72Confident63.1Low86 Ų8698.6 Ų98.646%0.4657%0.567SS.*  trans-67.994.3173.1-167.720.9000107.8R142 N218R142-D220 HydrophobicContact CB-CB 4.42Å; R142-D220 WeakPolarHBondContact CB-O 3.36Å; R142-D220 WeakPolarHBondContact CD-OD2 3.43Å; R142-D220 IonicContact CZ-OD2 3.69Å; R142-D220 PolarHBondContact N-O 2.89Å; R142-D220 VanDerWaalsContact N-O 3.08Å; R142-D220 IonicContact NE-OD2 3.85Å; R142-D220 IonicContact NH1-OD2 2.75Å; R142-D220 PolarHBondContact NH1-OD2 2.92Å; N218-D220 PolarHBondContact O-N 2.84Å; N218-D220 VanDerWaalsContact O-N 3.08Å
221L78.4Confident65.9Low81 Ų8195.4 Ų95.442%0.42455%0.546SS..EExtended strand (participates in β ladder)trans-87.4120.7-177.7-68.6173.8000109.7L139 P141 L219L139-L221 HydrophobicContact CB-CB 4.4Å; L139-L221 HydrophobicContact CB-CD2 4.47Å; L139-L221 HydrophobicContact CD1-CD1 4.15Å; P141-L221 HydrophobicContact CB-CD2 4.31Å; P141-L221 HydrophobicContact CG-CD2 4.02Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 HydrophobicContact CB-CD2 4.46Å; L219-L221 HydrophobicContact CB-CG 4.42Å; L219-L221 PolarHBondContact O-N 2.82Å
222Q80.4Confident68.5Low63 Ų6391 Ų9129%0.29452%0.515SS..EExtended strand (participates in β ladder)trans-94.1128.9173.7-68-147.7-78.800112.2L139 V140 R142L139-Q222 WeakPolarHBondContact CA-O 3.45Å; V140-Q222 PolarHBondContact N-O 3.32Å; V140-Q222 PolarHBondContact O-N 2.72Å; R142-Q222 HydrophobicContact CG-CG 3.96Å; R142-Q222 VanDerWaalsContact CZ-NE2 3.34Å; R142-Q222 VanDerWaalsContact NE-CG 3.31Å
223P86.7Confident71.5Confident82 Ų8282.2 Ų82.253%0.53247%0.472SS..EExtended strand (participates in β ladder)trans-79.5125.2174.130.6-32.3000111.5P137 L139P137-P223 HydrophobicContact CB-CB 3.91Å; P137-P223 HydrophobicContact CG-CB 4.35Å; L139-P223 HydrophobicContact CD2-CB 3.99Å
224V87.4Confident74.5Confident5 Ų577.8 Ų77.83%0.0344%0.441CS..EExtended strand (participates in β ladder)trans-105.1110.3172.9-174.30000109.9P137 V138 V140 W406 K409 V410 Q413P137-V224 WeakPolarHBondContact CA-O 3.29Å; V138-V224 PolarHBondContact N-O 3.45Å; V138-V224 PolarHBondContact O-N 2.87Å; V140-V224 HydrophobicContact CG2-CG2 3.83Å; V224-W406 PolarHBondContact O-NE1 3.31Å; V224-W406 VanDerWaalsContact O-NE1 3.07Å; V224-K409 HydrophobicContact CG1-CB 3.49Å; V224-K409 VanDerWaalsContact CG1-CB 3.49Å; V224-K409 HydrophobicContact CG1-CD 4.22Å; V224-V410 HydrophobicContact CB-CG2 4.1Å; V224-V410 HydrophobicContact CG1-CG2 4.04Å; V224-V410 HydrophobicContact CG2-CG2 4.28Å; V224-Q413 VanDerWaalsContact CG2-CD 3.48Å
225T87.1Confident77.2Confident83 Ų8372.9 Ų72.951%0.50941%0.409SS..  trans-86142.5-179.254.90000112.5P137P137-T225 HydrophobicContact CB-CG2 4.2Å
226Y87.4Confident80.1Confident43 Ų4368.7 Ų68.717%0.16937%0.374CS..  trans-71.3139.4170.4-178.4-98.8000110.6L135 E228 W406L135-Y226 HydrophobicContact CD1-CD1 3.94Å; L135-Y226 HydrophobicContact CD1-CD2 4.11Å; L135-Y226 HydrophobicContact CD1-CE1 4.29Å; L135-Y226 HydrophobicContact CD1-CE2 4.42Å; L135-Y226 HydrophobicContact CD1-CG 3.84Å; Y226-E228 HydrophobicContact CE1-CB 4.25Å; Y226-E228 HydrophobicContact CE1-CG 4.15Å; Y226-W406 HydrophobicContact CD2-CB 3.98Å; Y226-W406 AromaticContact CD2-CD2 3.74Å; Y226-W406 HydrophobicContact CD2-CD2 3.74Å; Y226-W406 AromaticContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CG 4.04Å; Y226-W406 HydrophobicContact CD2-CZ3 4.03Å; Y226-W406 HydrophobicContact CE2-CE3 4.22Å; Y226-W406 HydrophobicContact CG-CD2 4.33Å; Y226-W406 HydrophobicContact CG-CE3 4.09Å; Y226-W406 HydrophobicContact CG-CZ3 4.37Å
227C82Confident82.9Confident54 Ų5460.8 Ų60.837%0.36534%0.337SS..  trans-130.6136.6171.4-56.70000108.6Q405 K409C227-Q405 PolarHBondContact O-OE1 2.8Å; C227-K409 PolarHBondContact SG-NZ 3.31Å; C227-K409 VanDerWaalsContact SG-NZ 3.36Å
228E83.3Confident85.6Confident105 Ų10555.5 Ų55.549%0.49131%0.306SS..  trans-81.9124.5-178.5-140160.9-145.500109.8Y226 Y298Y226-E228 HydrophobicContact CE1-CB 4.25Å; Y226-E228 HydrophobicContact CE1-CG 4.15Å; E228-Y298 WeakPolarHBondContact OE1-CE1 3.39Å; E228-Y298 PolarHBondContact OE1-OH 3.03Å
229P88.9Confident88.3Confident33 Ų3348.4 Ų48.421%0.21427%0.268CS..  trans-78.4158.2-177.532.1-37000112F231 N401P229-F231 VanDerWaalsContact CG-O 3.29Å; P229-F231 WeakPolarHBondContact CG-O 3.32Å; P229-F231 PolarHBondContact O-N 2.86Å; P229-N401 HydrophobicContact CB-CB 4.34Å; P229-N401 HydrophobicContact CG-CB 3.9Å
230A87.8Confident90.2Very high86 Ų8645.5 Ų45.571%0.71125%0.253SS*.SBendtrans-60-33.4176.300000113.3
231F93.6Very high91.4Very high93 Ų9347.7 Ų47.741%0.40826%0.264SS..SBendtrans-115.1118.1170.6-58-81.5000108.2P229 H249 A250 N401P229-F231 VanDerWaalsContact CG-O 3.29Å; P229-F231 WeakPolarHBondContact CG-O 3.32Å; P229-F231 PolarHBondContact O-N 2.86Å; F231-H249 HydrophobicContact CB-CB 4.35Å; F231-H249 HydrophobicContact CD1-CB 3.61Å; F231-H249 HydrophobicContact CD2-CB 4.48Å; F231-H249 HydrophobicContact CE1-CB 3.96Å; F231-H249 HydrophobicContact CG-CB 3.9Å; F231-A250 CarbonylContact C-O 3.5Å; F231-A250 WeakPolarHBondContact CA-O 3.5Å; F231-N401 VanDerWaalsContact O-CB 3.29Å; F231-N401 WeakPolarHBondContact O-CB 3.44Å; F231-N401 PolarHBondContact O-ND2 2.93Å
232W94.3Very high92.4Very high19 Ų1947 Ų477%0.07226%0.259CS..SBendtrans-76-26.7-175.566.6-92.1000112.4A250 Q252 M255 L296 Y298 V303 L400 N401W232-A250 HydrophobicContact CZ2-CB 4.11Å; W232-A250 PolarHBondContact N-O 3.31Å; W232-Q252 PolarHBondContact NE1-O 2.66Å; W232-M255 HydrophobicContact CZ2-CG 4.25Å; W232-L296 HydrophobicContact CH2-CB 4.09Å; W232-L296 HydrophobicContact CZ2-CB 4.49Å; W232-Y298 HydrophobicContact CB-CD1 4.31Å; W232-Y298 HydrophobicContact CD2-CG 4.31Å; W232-Y298 HydrophobicContact CE3-CG 4.31Å; W232-Y298 HydrophobicContact CG-CD1 4.4Å; W232-Y298 HydrophobicContact CG-CG 4.44Å; W232-V303 HydrophobicContact CE3-CG2 4.46Å; W232-V303 HydrophobicContact CH2-CG1 4.11Å; W232-V303 HydrophobicContact CZ3-CG1 3.79Å; W232-V303 HydrophobicContact CZ3-CG2 4.05Å; W232-L400 HydrophobicContact CE3-CD2 4.26Å; W232-L400 HydrophobicContact CZ3-CD2 4.03Å; W232-N401 PolarHBondContact O-N 2.98Å
233C96.7Very high93.2Very high0 Ų050.3 Ų50.30%027%0.269CS..EExtended strand (participates in β ladder)trans-146.3162.2170.374.60000114.1A250 H399 L400C233-A250 PolarHBondContact O-N 2.85Å; C233-A250 VanDerWaalsContact SG-CB 3.54Å; C233-H399 CarbonylContact C-O 3.52Å; C233-H399 WeakPolarHBondContact CA-O 3.43Å; C233-H399 VanDerWaalsContact CB-O 3.23Å; C233-H399 WeakPolarHBondContact CB-O 3.41Å; C233-L400 HydrophobicContact CB-CD2 4.06Å
234S97.6Very high93.8Very high15 Ų1546.7 Ų46.711%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-122.8134.7172.7-48.10000108.9F248 H249 L398 H399 N401S234-F248 CarbonylContact C-O 3.51Å; S234-F248 WeakPolarHBondContact CA-O 3.34Å; S234-H249 PolarHBondContact OG-CD2 3.14Å; S234-L398 WeakPolarHBondContact O-CA 3.5Å; S234-H399 PolarHBondContact N-O 2.8Å; S234-H399 PolarHBondContact O-N 3.37Å; S234-N401 PolarHBondContact OG-ND2 3.11Å; S234-N401 VanDerWaalsContact OG-ND2 3.09Å; S234-N401 PolarHBondContact OG-OD1 3.41Å; S234-N401 VanDerWaalsContact OG-OD1 3.05Å
235I98.4Very high94.2Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-123.4125.1-173.6-48-177.2000110.2T247 F248 M255 V257 F269 L296 I396 E397 L398I235-T247 WeakPolarHBondContact O-CA 3.31Å; I235-F248 HydrophobicContact CB-CB 4.45Å; I235-F248 PolarHBondContact N-O 2.95Å; I235-F248 PolarHBondContact O-N 3.04Å; I235-M255 HydrophobicContact CD1-CE 3.69Å; I235-M255 HydrophobicContact CD1-SD 3.57Å; I235-M255 VanDerWaalsContact CD1-SD 3.57Å; I235-V257 HydrophobicContact CD1-CG2 3.89Å; I235-F269 HydrophobicContact CB-CD1 4.18Å; I235-F269 HydrophobicContact CB-CE1 4.2Å; I235-F269 HydrophobicContact CG2-CD1 4.02Å; I235-F269 HydrophobicContact CG2-CE1 3.95Å; I235-L296 HydrophobicContact CD1-CD1 3.62Å; I235-I396 HydrophobicContact CG2-CB 3.82Å; I235-I396 HydrophobicContact CG2-CD1 4.03Å; I235-I396 HydrophobicContact CG2-CG1 4.44Å; I235-I396 HydrophobicContact CG2-CG2 4.04Å; I235-E397 CarbonylContact C-O 3.57Å; I235-E397 WeakPolarHBondContact CA-O 3.39Å; I235-L398 HydrophobicContact CD1-CG 4.48Å; I235-L398 HydrophobicContact CG1-CG 4.26Å; I235-L398 HydrophobicContact CG2-CG 4.49Å
236S98.6Very high94.6Very high10 Ų1052.5 Ų52.57%0.0728%0.277CS..EExtended strand (participates in β ladder)trans-112.8132.3175.5-59.90000110.4T247 I396 E397S236-T247 PolarHBondContact OG-OG1 2.75Å; S236-I396 CarbonylContact O-C 3.43Å; S236-I396 VanDerWaalsContact O-CA 3.23Å; S236-I396 WeakPolarHBondContact O-CA 3.39Å; S236-E397 PolarHBondContact N-O 2.86Å; S236-E397 PolarHBondContact O-N 3.32Å
237Y98.7Very high95Very high1 Ų151.9 Ų51.90%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-96.4142.4178.2175.8-119000111.9E239 V244 L271 L274 R287 C394 W395 I396Y237-E239 HydrophobicContact CE1-CG 3.69Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.25Å; Y237-E239 WeakPolarHBondContact OH-CG 3.49Å; Y237-E239 PolarHBondContact OH-OE1 2.89Å; Y237-V244 HydrophobicContact CD1-CB 3.79Å; Y237-V244 HydrophobicContact CD1-CG1 4.06Å; Y237-V244 HydrophobicContact CE1-CB 4.06Å; Y237-V244 HydrophobicContact CE1-CG1 4.11Å; Y237-V244 PolarHBondContact O-N 3.01Å; Y237-L271 HydrophobicContact CD1-CD2 4.12Å; Y237-L271 HydrophobicContact CD2-CD1 3.77Å; Y237-L271 HydrophobicContact CD2-CD2 3.85Å; Y237-L271 HydrophobicContact CD2-CG 4.37Å; Y237-L271 HydrophobicContact CE2-CD1 3.76Å; Y237-L271 HydrophobicContact CE2-CD2 4.46Å; Y237-L271 HydrophobicContact CG-CD1 4.42Å; Y237-L271 HydrophobicContact CG-CD2 3.66Å; Y237-L274 HydrophobicContact CD1-CD1 3.58Å; Y237-L274 HydrophobicContact CE1-CD1 4.29Å; Y237-L274 HydrophobicContact CG-CD1 4.26Å; Y237-R287 PolarHBondContact OH-NH1 3.1Å; Y237-R287 VanDerWaalsContact OH-NH1 3.12Å; Y237-C394 HydrophobicContact CE2-CB 4.04Å; Y237-C394 PolarHBondContact OH-SG 3.4Å; Y237-W395 VanDerWaalsContact CD2-O 3.24Å; Y237-W395 WeakPolarHBondContact CD2-O 3.5Å; Y237-I396 HydrophobicContact CD2-CG2 3.88Å
238Y98.8Very high95.7Very high40 Ų4051 Ų5116%0.15727%0.268CS..EExtended strand (participates in β ladder)trans-134.9141.9-178.9-65.4-95000111.2Q242 R243 W395 E397Y238-Q242 VanDerWaalsContact CA-O 3.27Å; Y238-Q242 WeakPolarHBondContact CA-O 3.49Å; Y238-R243 HydrophobicContact CD1-CB 3.88Å; Y238-R243 HydrophobicContact CD1-CG 4.48Å; Y238-R243 HydrophobicContact CE1-CB 3.59Å; Y238-R243 HydrophobicContact CE1-CG 4.08Å; Y238-W395 VanDerWaalsContact CB-NE1 3.35Å; Y238-W395 HydrophobicContact CD1-CH2 4.17Å; Y238-W395 AromaticContact CD1-CZ2 3.83Å; Y238-W395 HydrophobicContact CD1-CZ2 3.83Å; Y238-W395 HydrophobicContact CD2-CD2 4.27Å; Y238-W395 HydrophobicContact CD2-CE3 4.11Å; Y238-W395 AromaticContact CD2-CH2 3.62Å; Y238-W395 HydrophobicContact CD2-CH2 3.62Å; Y238-W395 AromaticContact CD2-CZ2 3.8Å; Y238-W395 HydrophobicContact CD2-CZ2 3.8Å; Y238-W395 AromaticContact CD2-CZ3 3.81Å; Y238-W395 HydrophobicContact CD2-CZ3 3.81Å; Y238-W395 HydrophobicContact CE1-CH2 4.44Å; Y238-W395 HydrophobicContact CE1-CZ2 4.47Å; Y238-W395 AromaticContact CE2-CH2 3.9Å; Y238-W395 HydrophobicContact CE2-CH2 3.9Å; Y238-W395 HydrophobicContact CE2-CZ2 4.43Å; Y238-W395 HydrophobicContact CE2-CZ3 4.13Å; Y238-W395 HydrophobicContact CG-CD2 4.3Å; Y238-W395 AromaticContact CG-CE2 3.75Å; Y238-W395 AromaticContact CG-CH2 3.77Å; Y238-W395 HydrophobicContact CG-CH2 3.77Å; Y238-W395 AromaticContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ2 3.46Å; Y238-W395 VanDerWaalsContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ3 4.33Å; Y238-W395 PolarHBondContact N-O 3.5Å; Y238-W395 PolarHBondContact O-N 3.35Å; Y238-E397 HydrophobicContact CD2-CB 4.46Å; Y238-E397 HydrophobicContact CE2-CB 3.86Å; Y238-E397 PolarHBondContact OH-OE1 3.25Å
239E98.6Very high96.3Very high3 Ų350.5 Ų50.51%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-114.2113.4165.6-66.5179.5-176.300107.1Y237 N241 Q242 V244 N276 R279 V283 R287 P393Y237-E239 HydrophobicContact CE1-CG 3.69Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.25Å; Y237-E239 WeakPolarHBondContact OH-CG 3.49Å; Y237-E239 PolarHBondContact OH-OE1 2.89Å; E239-N241 PolarHBondContact O-N 3.36Å; E239-Q242 PolarHBondContact N-O 3.3Å; E239-Q242 PolarHBondContact O-N 2.99Å; E239-V244 HydrophobicContact CB-CG2 3.96Å; E239-V244 HydrophobicContact CG-CG2 3.91Å; E239-N276 WeakPolarHBondContact OE2-CB 3.23Å; E239-N276 PolarHBondContact OE2-ND2 2.84Å; E239-R279 IonicContact OE1-CZ 3.59Å; E239-R279 VanDerWaalsContact OE1-CZ 3.31Å; E239-R279 IonicContact OE1-NE 3.64Å; E239-R279 PolarHBondContact OE1-NE 2.87Å; E239-R279 VanDerWaalsContact OE1-NE 3.1Å; E239-R279 IonicContact OE1-NH2 2.72Å; E239-R279 PolarHBondContact OE1-NH2 3.33Å; E239-R279 IonicContact OE2-CZ 2.91Å; E239-R279 IonicContact OE2-NE 3.7Å; E239-R279 PolarHBondContact OE2-NE 3.2Å; E239-R279 IonicContact OE2-NH2 3.09Å; E239-V283 HydrophobicContact CB-CG1 4.06Å; E239-V283 VanDerWaalsContact CD-CG1 3.45Å; E239-V283 HydrophobicContact CG-CG1 3.72Å; E239-V283 WeakPolarHBondContact OE2-CG1 3.44Å; E239-R287 WeakPolarHBondContact OE1-CD 3.25Å; E239-R287 IonicContact OE1-CZ 2.74Å; E239-R287 IonicContact OE1-NE 2.86Å; E239-R287 IonicContact OE1-NH1 2.67Å; E239-R287 PolarHBondContact OE1-NH1 3Å; E239-R287 VanDerWaalsContact OE1-NH1 3.13Å; E239-P393 WeakPolarHBondContact CA-O 3.47Å
240L98.2Very high96.5Very high53 Ų5349 Ų4928%0.27726%0.256SS..THydrogen-bonded Turntrans56.6-119.7-170.4-55.8168.6000111.8V283 T390 T392 W395L240-V283 HydrophobicContact CD1-CG2 4.46Å; L240-V283 HydrophobicContact CG-CG2 4.31Å; L240-T390 CarbonylContact C-O 3.51Å; L240-T390 WeakPolarHBondContact CA-O 3.27Å; L240-T390 WeakPolarHBondContact O-CA 3.47Å; L240-T392 WeakPolarHBondContact CA-O 3.14Å; L240-T392 PolarHBondContact N-O 3.37Å; L240-W395 PolarHBondContact O-NE1 3.01Å
241N97.6Very high96.6Very high132 Ų13247.3 Ų47.371%0.70624%0.239SC*.THydrogen-bonded Turntrans-97.23.7176.565.5-25.8000113.4E239 T390E239-N241 PolarHBondContact O-N 3.36Å; N241-T390 HydrophobicContact CB-CG2 4.25Å
242Q98Very high96.4Very high67 Ų6745.7 Ų45.731%0.31323%0.233SC..EExtended strand (participates in β ladder)trans-102.8129.7-176.2-173.4176.6-2.200110.8Y238 E239 N276 N278Y238-Q242 VanDerWaalsContact CA-O 3.27Å; Y238-Q242 WeakPolarHBondContact CA-O 3.49Å; E239-Q242 PolarHBondContact N-O 3.3Å; E239-Q242 PolarHBondContact O-N 2.99Å; Q242-N276 PolarHBondContact OE1-OD1 3.44Å; Q242-N278 PolarHBondContact NE2-ND2 3.04Å; Q242-N278 PolarHBondContact OE1-ND2 2.77Å
243R98.2Very high96.1Very high133 Ų13346.7 Ų46.750%0.50224%0.241SC..EExtended strand (participates in β ladder)trans-71.5134.3170.2-173.2172.1168.9-166.3-5.5109.7Y238 T247Y238-R243 HydrophobicContact CD1-CB 3.88Å; Y238-R243 HydrophobicContact CD1-CG 4.48Å; Y238-R243 HydrophobicContact CE1-CB 3.59Å; Y238-R243 HydrophobicContact CE1-CG 4.08Å; R243-T247 PolarHBondContact NH2-OG1 3.27Å
244V98.3Very high95.9Very high5 Ų547.9 Ų47.93%0.0325%0.25CS..  trans-129122.2-176.1178.30000109.5Y237 E239 L274 N276Y237-V244 HydrophobicContact CD1-CB 3.79Å; Y237-V244 HydrophobicContact CD1-CG1 4.06Å; Y237-V244 HydrophobicContact CE1-CB 4.06Å; Y237-V244 HydrophobicContact CE1-CG1 4.11Å; Y237-V244 PolarHBondContact O-N 3.01Å; E239-V244 HydrophobicContact CB-CG2 3.96Å; E239-V244 HydrophobicContact CG-CG2 3.91Å; V244-L274 HydrophobicContact CG1-CB 4.01Å; V244-N276 HydrophobicContact CG1-CB 4.05Å; V244-N276 HydrophobicContact CG2-CB 4.02Å
245G96.1Very high95.7Very high41 Ų4147.3 Ų47.342%0.42325%0.246SC..SBendtrans79.5-178.5-178.600000114.3
246E95Very high95.7Very high169 Ų16948.7 Ų48.779%0.7925%0.254SS*.PPolyproline II helixtrans-80.4160.6177.7-62-176.8164.500111.8
247T96.8Very high95.7Very high31 Ų3148.2 Ų48.219%0.1925%0.251CS..PPolyproline II helixtrans-76129.1172-69.50000109.9I235 S236 R243 H249I235-T247 WeakPolarHBondContact O-CA 3.31Å; S236-T247 PolarHBondContact OG-OG1 2.75Å; R243-T247 PolarHBondContact NH2-OG1 3.27Å; T247-H249 PolarHBondContact O-CE1 3.44Å; T247-H249 PolarHBondContact O-ND1 3.28Å
248F96.3Very high95.7Very high34 Ų3448.3 Ų48.315%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-84.4137.2173.8-170.8-79.8000110.4S234 I235 A250 M255 S266 F269S234-F248 CarbonylContact C-O 3.51Å; S234-F248 WeakPolarHBondContact CA-O 3.34Å; I235-F248 HydrophobicContact CB-CB 4.45Å; I235-F248 PolarHBondContact N-O 2.95Å; I235-F248 PolarHBondContact O-N 3.04Å; F248-A250 HydrophobicContact CE1-CB 4.37Å; F248-M255 HydrophobicContact CD1-CE 3.16Å; F248-M255 HydrophobicContact CE1-CE 2.97Å; F248-M255 HydrophobicContact CG-CE 4.13Å; F248-M255 HydrophobicContact CZ-CE 3.79Å; F248-S266 WeakPolarHBondContact CZ-O 3.3Å; F248-F269 HydrophobicContact CB-CB 4.23Å; F248-F269 HydrophobicContact CB-CD1 3.58Å; F248-F269 HydrophobicContact CB-CD2 3.96Å; F248-F269 HydrophobicContact CB-CE1 3.79Å; F248-F269 HydrophobicContact CB-CE2 4.16Å; F248-F269 HydrophobicContact CB-CG 3.67Å; F248-F269 HydrophobicContact CB-CZ 4.08Å; F248-F269 HydrophobicContact CD1-CB 4.38Å; F248-F269 HydrophobicContact CD2-CB 3.65Å; F248-F269 AromaticContact CD2-CD2 3.84Å; F248-F269 HydrophobicContact CD2-CD2 3.84Å; F248-F269 AromaticContact CD2-CG 3.77Å; F248-F269 HydrophobicContact CD2-CG 3.77Å; F248-F269 HydrophobicContact CE2-CB 4.05Å; F248-F269 HydrophobicContact CG-CB 3.82Å; F248-F269 HydrophobicContact CG-CD1 4.1Å; F248-F269 HydrophobicContact CG-CD2 4.2Å; F248-F269 AromaticContact CG-CG 3.8Å; F248-F269 HydrophobicContact CG-CG 3.8Å
249H95.9Very high95.6Very high95 Ų9547.4 Ų47.444%0.4425%0.254SS..EExtended strand (participates in β ladder)trans-115118.9178.4-60.383.7000109.9F231 S234 T247F231-H249 HydrophobicContact CB-CB 4.35Å; F231-H249 HydrophobicContact CD1-CB 3.61Å; F231-H249 HydrophobicContact CD2-CB 4.48Å; F231-H249 HydrophobicContact CE1-CB 3.96Å; F231-H249 HydrophobicContact CG-CB 3.9Å; S234-H249 PolarHBondContact OG-CD2 3.14Å; T247-H249 PolarHBondContact O-CE1 3.44Å; T247-H249 PolarHBondContact O-ND1 3.28Å
250A93.4Very high95.5Very high1 Ų151.8 Ų51.81%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-92.1110.6-17500000111.1F231 W232 C233 F248 M255F231-A250 CarbonylContact C-O 3.5Å; F231-A250 WeakPolarHBondContact CA-O 3.5Å; W232-A250 HydrophobicContact CZ2-CB 4.11Å; W232-A250 PolarHBondContact N-O 3.31Å; C233-A250 PolarHBondContact O-N 2.85Å; C233-A250 VanDerWaalsContact SG-CB 3.54Å; F248-A250 HydrophobicContact CE1-CB 4.37Å; A250-M255 HydrophobicContact CB-CE 4.06Å; A250-M255 HydrophobicContact CB-CG 4.19Å
251S89.8Confident95.4Very high52 Ų5254 Ų5436%0.36429%0.289SS..  trans-93.8-34.4171.953.80000112.1
252Q89.1Confident95.2Very high59 Ų5950.2 Ų50.228%0.27627%0.269SS..SBendtrans-75.9142.8-179-63.6-57.5-35.800111.7W232 S254 E267W232-Q252 PolarHBondContact NE1-O 2.66Å; Q252-S254 PolarHBondContact O-N 3.41Å; Q252-S254 VanDerWaalsContact O-N 3.07Å; Q252-E267 HydrophobicContact CB-CG 4.17Å; Q252-E267 HydrophobicContact CG-CG 3.85Å
253P87.7Confident94.6Very high39 Ų3951.9 Ų51.925%0.25329%0.285SS..SBendtrans-61.8-17.8179.6-23.132.8000114.2Y297 Y298P253-Y297 CarbonylContact O-C 3.59Å; P253-Y297 WeakPolarHBondContact O-CA 3.42Å; P253-Y298 PolarHBondContact O-N 2.85Å
254S92.4Very high93.9Very high26 Ų2650.8 Ų50.818%0.18230%0.298CS..EExtended strand (participates in β ladder)trans-134134176.7172.50000109.2Q252 L296Q252-S254 PolarHBondContact O-N 3.41Å; Q252-S254 VanDerWaalsContact O-N 3.07Å; S254-L296 WeakPolarHBondContact CA-O 3.5Å
255M94.8Very high93.3Very high3 Ų353.1 Ų53.12%0.01531%0.311CS..EExtended strand (participates in β ladder)trans-148.9161.6177.367.4100.967.100111.3W232 I235 F248 A250 V257 E267 F269 R295 L296W232-M255 HydrophobicContact CZ2-CG 4.25Å; I235-M255 HydrophobicContact CD1-CE 3.69Å; I235-M255 HydrophobicContact CD1-SD 3.57Å; I235-M255 VanDerWaalsContact CD1-SD 3.57Å; F248-M255 HydrophobicContact CD1-CE 3.16Å; F248-M255 HydrophobicContact CE1-CE 2.97Å; F248-M255 HydrophobicContact CG-CE 4.13Å; F248-M255 HydrophobicContact CZ-CE 3.79Å; A250-M255 HydrophobicContact CB-CE 4.06Å; A250-M255 HydrophobicContact CB-CG 4.19Å; M255-V257 HydrophobicContact SD-CG2 3.92Å; M255-E267 CarbonylContact C-O 3.48Å; M255-E267 VanDerWaalsContact CA-O 3.27Å; M255-E267 WeakPolarHBondContact CA-O 3.47Å; M255-E267 WeakPolarHBondContact CB-O 3.11Å; M255-F269 HydrophobicContact CE-CB 4.32Å; M255-R295 WeakPolarHBondContact O-CA 3.42Å; M255-L296 HydrophobicContact CG-CB 4.31Å; M255-L296 PolarHBondContact N-O 2.9Å; M255-L296 PolarHBondContact O-N 2.79Å; M255-L296 VanDerWaalsContact O-O 3.13Å; M255-L296 HydrophobicContact SD-CB 4.37Å; M255-L296 HydrophobicContact SD-CD1 4.03Å
256T97.6Very high92.6Very high28 Ų2854.7 Ų54.717%0.17232%0.315CS..EExtended strand (participates in β ladder)trans-124.3131.1-178.8-51.30000110.5D258 E267 R268 F269 R292 V294 L308T256-D258 HydrophobicContact CG2-CB 4.16Å; T256-E267 PolarHBondContact N-O 2.7Å; T256-R268 CarbonylContact O-C 3.56Å; T256-R268 VanDerWaalsContact O-CA 3.29Å; T256-R268 WeakPolarHBondContact O-CA 3.37Å; T256-F269 PolarHBondContact O-N 2.92Å; T256-R292 WeakPolarHBondContact CG2-O 3.34Å; T256-V294 CarbonylContact C-O 3.57Å; T256-V294 WeakPolarHBondContact CA-O 3.49Å; T256-V294 WeakPolarHBondContact CG2-O 3.42Å; T256-L308 HydrophobicContact CG2-CD1 4.23Å
257V98.3Very high92.3Very high0 Ų050.8 Ų50.80%030%0.297CS..EExtended strand (participates in β ladder)trans-101.9113.5168-172.70000107.5I235 M255 F269 L271 G293 V294 L296 F376 I396I235-V257 HydrophobicContact CD1-CG2 3.89Å; M255-V257 HydrophobicContact SD-CG2 3.92Å; V257-F269 WeakPolarHBondContact CA-O 3.37Å; V257-F269 HydrophobicContact CB-CB 4.45Å; V257-F269 HydrophobicContact CG1-CB 4.28Å; V257-F269 HydrophobicContact CG1-CD1 4.01Å; V257-F269 HydrophobicContact CG1-CG 4.35Å; V257-F269 HydrophobicContact CG2-CB 4.14Å; V257-F269 HydrophobicContact CG2-CD1 4.25Å; V257-L271 HydrophobicContact CG1-CD1 3.73Å; V257-L271 HydrophobicContact CG1-CD2 3.97Å; V257-L271 HydrophobicContact CG1-CG 3.8Å; V257-G293 CarbonylContact O-C 3.58Å; V257-G293 VanDerWaalsContact O-CA 3.27Å; V257-G293 WeakPolarHBondContact O-CA 3.38Å; V257-V294 HydrophobicContact CB-CG1 3.9Å; V257-V294 HydrophobicContact CG2-CG1 4.35Å; V257-V294 PolarHBondContact N-O 2.75Å; V257-V294 PolarHBondContact O-N 2.79Å; V257-L296 HydrophobicContact CG2-CD1 4.25Å; V257-F376 HydrophobicContact CB-CZ 4.4Å; V257-F376 HydrophobicContact CG1-CZ 3.97Å; V257-I396 HydrophobicContact CB-CD1 4.44Å; V257-I396 HydrophobicContact CG1-CD1 4.35Å; V257-I396 HydrophobicContact CG1-CG2 4.38Å; V257-I396 HydrophobicContact CG2-CD1 4.14Å
258D98.2Very high92.3Very high4 Ų452.4 Ų52.42%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-132.8170.1-170.970.751.9000113.4T256 F260 R268 F269 C270 L271 G291T256-D258 HydrophobicContact CG2-CB 4.16Å; D258-F260 VanDerWaalsContact C-N 3.35Å; D258-F260 HydrophobicContact CB-CD2 4.01Å; D258-F260 VanDerWaalsContact OD1-CB 3.29Å; D258-F260 WeakPolarHBondContact OD1-CB 3.4Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.46Å; D258-F260 PolarHBondContact OD1-N 2.9Å; D258-R268 IonicContact OD1-NH2 3.04Å; D258-R268 PolarHBondContact OD1-NH2 2.85Å; D258-R268 IonicContact OD2-CZ 3.21Å; D258-R268 VanDerWaalsContact OD2-CZ 3.24Å; D258-R268 IonicContact OD2-NE 2.63Å; D258-R268 PolarHBondContact OD2-NE 2.97Å; D258-R268 IonicContact OD2-NH2 3.32Å; D258-R268 PolarHBondContact OD2-NH2 3.08Å; D258-F269 PolarHBondContact N-O 3.39Å; D258-C270 PolarHBondContact OD1-SG 2.9Å; D258-L271 WeakPolarHBondContact O-CB 3.39Å; D258-L271 WeakPolarHBondContact O-CG 3.15Å; D258-L271 PolarHBondContact O-N 2.86Å; D258-G291 WeakPolarHBondContact CB-O 3.46Å
259G97.5Very high92.3Very high20 Ų2051.4 Ų51.421%0.20630%0.295CS..SBendtrans-90.99.8-178.200000114.3G272 G291G259-G272 WeakPolarHBondContact O-CA 3.3Å; G259-G291 PolarHBondContact N-O 2.69Å
260F97.3Very high92.4Very high96 Ų9647.1 Ų47.142%0.42128%0.275SS..SBendtrans-89.5-169-177.9-55.4-60.6000111.3D258 C270 G272 R292D258-F260 VanDerWaalsContact C-N 3.35Å; D258-F260 HydrophobicContact CB-CD2 4.01Å; D258-F260 VanDerWaalsContact OD1-CB 3.29Å; D258-F260 WeakPolarHBondContact OD1-CB 3.4Å; D258-F260 WeakPolarHBondContact OD1-CD2 3.46Å; D258-F260 PolarHBondContact OD1-N 2.9Å; F260-C270 WeakPolarHBondContact O-CB 3.33Å; F260-G272 WeakPolarHBondContact O-CA 3.14Å; F260-G272 PolarHBondContact O-N 3.12Å; F260-R292 HydrophobicContact CE2-CG 4.05Å; F260-R292 HydrophobicContact CZ-CG 4.22Å
261T95.9Very high92.6Very high98 Ų9847 Ų4760%0.60128%0.275SS*.  trans-13026.9-163.962.20000114.1P263T261-P263 VanDerWaalsContact O-CD 3.31Å; T261-P263 WeakPolarHBondContact O-CD 3.5Å
262D91.8Very high92.9Very high53 Ų5345.8 Ų45.828%0.28327%0.27SS..  trans-83.5112.9178.1178.93000110.1S264 N265 R268 C270D262-S264 PolarHBondContact OD1-N 3.25Å; D262-N265 WeakPolarHBondContact OD2-CB 3.38Å; D262-R268 IonicContact OD2-NH1 3.71Å; D262-R268 PolarHBondContact OD2-NH1 3.16Å; D262-R268 VanDerWaalsContact OD2-NH1 3.08Å; D262-C270 PolarHBondContact N-SG 3.1Å; D262-C270 WeakPolarHBondContact O-CB 3.45Å; D262-C270 PolarHBondContact O-SG 3.13Å
263P85.6Confident93.1Very high103 Ų10346.5 Ų46.567%0.66928%0.275SS*.SBendtrans-86.8-11.1-172.634.4-34.6000114.4T261 L273T261-P263 VanDerWaalsContact O-CD 3.31Å; T261-P263 WeakPolarHBondContact O-CD 3.5Å; P263-L273 HydrophobicContact CB-CD2 4.06Å
264S84.6Confident93.5Very high110 Ų11045.7 Ų45.777%0.76927%0.269SS*.SBendtrans-115.42.2-163.4-56.20000114.6D262D262-S264 PolarHBondContact OD1-N 3.25Å
265N84.4Confident93.7Very high54 Ų5449.8 Ų49.829%0.28930%0.297SS..  trans-95.6113.7-174.9-171.1-31.2000111.5D262 E267 R268D262-N265 WeakPolarHBondContact OD2-CB 3.38Å; N265-E267 PolarHBondContact O-N 2.8Å; N265-E267 WeakPolarHBondContact OD1-CA 3.19Å; N265-E267 WeakPolarHBondContact OD1-CB 3.38Å; N265-E267 PolarHBondContact OD1-N 3.34Å; N265-R268 HydrophobicContact CB-CB 4.05Å; N265-R268 HydrophobicContact CB-CG 4.3Å; N265-R268 WeakPolarHBondContact ND2-CD 3.42Å; N265-R268 PolarHBondContact O-N 2.69Å
266S82.6Confident93.8Very high73 Ų7350.7 Ų50.751%0.5130%0.302SS..THydrogen-bonded Turntrans-69-8179.655.60000114.7F248F248-S266 WeakPolarHBondContact CZ-O 3.3Å
267E89.6Confident93.7Very high88 Ų8856 Ų5641%0.41134%0.335SS..THydrogen-bonded Turntrans-101.2-0.6172.9-63.9177.5-17200112.2Q252 M255 T256 N265Q252-E267 HydrophobicContact CB-CG 4.17Å; Q252-E267 HydrophobicContact CG-CG 3.85Å; M255-E267 CarbonylContact C-O 3.48Å; M255-E267 VanDerWaalsContact CA-O 3.27Å; M255-E267 WeakPolarHBondContact CA-O 3.47Å; M255-E267 WeakPolarHBondContact CB-O 3.11Å; T256-E267 PolarHBondContact N-O 2.7Å; N265-E267 PolarHBondContact O-N 2.8Å; N265-E267 WeakPolarHBondContact OD1-CA 3.19Å; N265-E267 WeakPolarHBondContact OD1-CB 3.38Å; N265-E267 PolarHBondContact OD1-N 3.34Å
268R94.9Very high93.6Very high64 Ų6461.1 Ų61.124%0.24236%0.362CS..EExtended strand (participates in β ladder)trans-132119.2-176.1-61.3178.863.5-152.4-1.1112.4T256 D258 D262 N265 C270T256-R268 CarbonylContact O-C 3.56Å; T256-R268 VanDerWaalsContact O-CA 3.29Å; T256-R268 WeakPolarHBondContact O-CA 3.37Å; D258-R268 IonicContact OD1-NH2 3.04Å; D258-R268 PolarHBondContact OD1-NH2 2.85Å; D258-R268 IonicContact OD2-CZ 3.21Å; D258-R268 VanDerWaalsContact OD2-CZ 3.24Å; D258-R268 IonicContact OD2-NE 2.63Å; D258-R268 PolarHBondContact OD2-NE 2.97Å; D258-R268 IonicContact OD2-NH2 3.32Å; D258-R268 PolarHBondContact OD2-NH2 3.08Å; D262-R268 IonicContact OD2-NH1 3.71Å; D262-R268 PolarHBondContact OD2-NH1 3.16Å; D262-R268 VanDerWaalsContact OD2-NH1 3.08Å; N265-R268 HydrophobicContact CB-CB 4.05Å; N265-R268 HydrophobicContact CB-CG 4.3Å; N265-R268 WeakPolarHBondContact ND2-CD 3.42Å; N265-R268 PolarHBondContact O-N 2.69Å; R268-C270 PolarHBondContact O-N 2.72Å
269F96.9Very high93.5Very high14 Ų1463.6 Ų63.66%0.06137%0.371CS..EExtended strand (participates in β ladder)trans-93.894.3167.8-172.8-164.7000109.8I235 F248 M255 T256 V257 D258 L271 L274I235-F269 HydrophobicContact CB-CD1 4.18Å; I235-F269 HydrophobicContact CB-CE1 4.2Å; I235-F269 HydrophobicContact CG2-CD1 4.02Å; I235-F269 HydrophobicContact CG2-CE1 3.95Å; F248-F269 HydrophobicContact CB-CB 4.23Å; F248-F269 HydrophobicContact CB-CD1 3.58Å; F248-F269 HydrophobicContact CB-CD2 3.96Å; F248-F269 HydrophobicContact CB-CE1 3.79Å; F248-F269 HydrophobicContact CB-CE2 4.16Å; F248-F269 HydrophobicContact CB-CG 3.67Å; F248-F269 HydrophobicContact CB-CZ 4.08Å; F248-F269 HydrophobicContact CD1-CB 4.38Å; F248-F269 HydrophobicContact CD2-CB 3.65Å; F248-F269 AromaticContact CD2-CD2 3.84Å; F248-F269 HydrophobicContact CD2-CD2 3.84Å; F248-F269 AromaticContact CD2-CG 3.77Å; F248-F269 HydrophobicContact CD2-CG 3.77Å; F248-F269 HydrophobicContact CE2-CB 4.05Å; F248-F269 HydrophobicContact CG-CB 3.82Å; F248-F269 HydrophobicContact CG-CD1 4.1Å; F248-F269 HydrophobicContact CG-CD2 4.2Å; F248-F269 AromaticContact CG-CG 3.8Å; F248-F269 HydrophobicContact CG-CG 3.8Å; M255-F269 HydrophobicContact CE-CB 4.32Å; T256-F269 PolarHBondContact O-N 2.92Å; V257-F269 WeakPolarHBondContact CA-O 3.37Å; V257-F269 HydrophobicContact CB-CB 4.45Å; V257-F269 HydrophobicContact CG1-CB 4.28Å; V257-F269 HydrophobicContact CG1-CD1 4.01Å; V257-F269 HydrophobicContact CG1-CG 4.35Å; V257-F269 HydrophobicContact CG2-CB 4.14Å; V257-F269 HydrophobicContact CG2-CD1 4.25Å; D258-F269 PolarHBondContact N-O 3.39Å; F269-L271 HydrophobicContact CD1-CD2 4.16Å; F269-L271 HydrophobicContact CD2-CD2 4.21Å; F269-L271 HydrophobicContact CE1-CD2 3.95Å; F269-L271 HydrophobicContact CE2-CD2 3.99Å; F269-L271 HydrophobicContact CG-CD2 4.29Å; F269-L271 HydrophobicContact CZ-CD2 3.86Å; F269-L271 PolarHBondContact O-N 3.18Å; F269-L274 HydrophobicContact CE2-CD1 4.13Å; F269-L274 HydrophobicContact CZ-CD1 4.37Å
270C97.4Very high93.5Very high4 Ų465.8 Ų65.83%0.02738%0.378CS..EExtended strand (participates in β ladder)trans-84.7103-175.8-70.20000111.3D258 F260 D262 R268 G272 L273D258-C270 PolarHBondContact OD1-SG 2.9Å; F260-C270 WeakPolarHBondContact O-CB 3.33Å; D262-C270 PolarHBondContact N-SG 3.1Å; D262-C270 WeakPolarHBondContact O-CB 3.45Å; D262-C270 PolarHBondContact O-SG 3.13Å; R268-C270 PolarHBondContact O-N 2.72Å; C270-G272 VanDerWaalsContact C-N 3.3Å; C270-G272 PolarHBondContact O-N 3.01Å; C270-L273 HydrophobicContact CB-CD2 3.71Å; C270-L273 WeakPolarHBondContact O-CG 3.49Å
271L97.7Very high93.6Very high0 Ų064.9 Ų64.90%039%0.388CS..G310 helixtrans-73.8-22.3-178.4-55.8-178.9000112.7Y237 V257 D258 F269 L273 L274 R287 I290 F376Y237-L271 HydrophobicContact CD1-CD2 4.12Å; Y237-L271 HydrophobicContact CD2-CD1 3.77Å; Y237-L271 HydrophobicContact CD2-CD2 3.85Å; Y237-L271 HydrophobicContact CD2-CG 4.37Å; Y237-L271 HydrophobicContact CE2-CD1 3.76Å; Y237-L271 HydrophobicContact CE2-CD2 4.46Å; Y237-L271 HydrophobicContact CG-CD1 4.42Å; Y237-L271 HydrophobicContact CG-CD2 3.66Å; V257-L271 HydrophobicContact CG1-CD1 3.73Å; V257-L271 HydrophobicContact CG1-CD2 3.97Å; V257-L271 HydrophobicContact CG1-CG 3.8Å; D258-L271 WeakPolarHBondContact O-CB 3.39Å; D258-L271 WeakPolarHBondContact O-CG 3.15Å; D258-L271 PolarHBondContact O-N 2.86Å; F269-L271 HydrophobicContact CD1-CD2 4.16Å; F269-L271 HydrophobicContact CD2-CD2 4.21Å; F269-L271 HydrophobicContact CE1-CD2 3.95Å; F269-L271 HydrophobicContact CE2-CD2 3.99Å; F269-L271 HydrophobicContact CG-CD2 4.29Å; F269-L271 HydrophobicContact CZ-CD2 3.86Å; F269-L271 PolarHBondContact O-N 3.18Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 3.01Å; L271-L274 HydrophobicContact CD2-CD1 3.97Å; L271-L274 WeakPolarHBondContact O-CB 3.47Å; L271-L274 PolarHBondContact O-N 3.39Å; L271-R287 VanDerWaalsContact O-CZ 3.29Å; L271-R287 PolarHBondContact O-NH1 3.15Å; L271-R287 PolarHBondContact O-NH2 2.82Å; L271-I290 HydrophobicContact CD1-CD1 4.02Å; L271-F376 HydrophobicContact CD1-CD2 4.45Å; L271-F376 HydrophobicContact CD1-CE2 3.75Å; L271-F376 HydrophobicContact CD1-CZ 4.08Å
272G96.4Very high93.6Very high26 Ų2662.7 Ų62.727%0.26838%0.38SS..G310 helixtrans-63.2-31.9-174.100000114G259 F260 C270 R287G259-G272 WeakPolarHBondContact O-CA 3.3Å; F260-G272 WeakPolarHBondContact O-CA 3.14Å; F260-G272 PolarHBondContact O-N 3.12Å; C270-G272 VanDerWaalsContact C-N 3.3Å; C270-G272 PolarHBondContact O-N 3.01Å; G272-R287 VanDerWaalsContact CA-NH2 3.33Å; G272-R287 PolarHBondContact O-NH2 3.26Å
273L94.5Very high93.9Very high73 Ų7360.3 Ų60.338%0.38237%0.367SS..G310 helixtrans-80.5-13.9178.966.994.1000113.8P263 C270 L271 S275P263-L273 HydrophobicContact CB-CD2 4.06Å; C270-L273 HydrophobicContact CB-CD2 3.71Å; C270-L273 WeakPolarHBondContact O-CG 3.49Å; L271-L273 VanDerWaalsContact C-N 3.31Å; L271-L273 PolarHBondContact O-N 3.01Å; L273-S275 PolarHBondContact O-N 2.8Å
274L96.3Very high94.5Very high23 Ų2359.5 Ų59.512%0.1236%0.355CS..  trans-73.3127.8-177.3-56.5178.6000110.6Y237 V244 F269 L271 R279 R287Y237-L274 HydrophobicContact CD1-CD1 3.58Å; Y237-L274 HydrophobicContact CE1-CD1 4.29Å; Y237-L274 HydrophobicContact CG-CD1 4.26Å; V244-L274 HydrophobicContact CG1-CB 4.01Å; F269-L274 HydrophobicContact CE2-CD1 4.13Å; F269-L274 HydrophobicContact CZ-CD1 4.37Å; L271-L274 HydrophobicContact CD2-CD1 3.97Å; L271-L274 WeakPolarHBondContact O-CB 3.47Å; L271-L274 PolarHBondContact O-N 3.39Å; L274-R279 PolarHBondContact O-NH1 3.46Å; L274-R279 PolarHBondContact O-NH2 3.04Å; L274-R287 PolarHBondContact O-NH2 2.86Å
275S95.5Very high95.1Very high111 Ų11158.7 Ų58.778%0.77634%0.341SS*.  trans-92.2143.1178.4-66.80000111.5L273L273-S275 PolarHBondContact O-N 2.8Å
276N96.3Very high95.7Very high22 Ų2256.3 Ų56.312%0.11833%0.329CS..  trans-145.7120.7171.1179.313.1000109.1E239 Q242 V244 N278 R279E239-N276 WeakPolarHBondContact OE2-CB 3.23Å; E239-N276 PolarHBondContact OE2-ND2 2.84Å; Q242-N276 PolarHBondContact OE1-OD1 3.44Å; V244-N276 HydrophobicContact CG1-CB 4.05Å; V244-N276 HydrophobicContact CG2-CB 4.02Å; N276-N278 VanDerWaalsContact C-N 3.31Å; N276-N278 PolarHBondContact OD1-N 3.43Å; N276-R279 HydrophobicContact CB-CB 4.22Å; N276-R279 VanDerWaalsContact O-CB 3.25Å; N276-R279 WeakPolarHBondContact O-CB 3.47Å; N276-R279 PolarHBondContact O-N 2.74Å
277V96.3Very high96.5Very high140 Ų14054 Ų5485%0.84831%0.309SS*.THydrogen-bonded Turntrans-72.5-24.7-179.8-63.60000112.9R279V277-R279 PolarHBondContact O-N 3.04Å
278N95.3Very high96.9Very high108 Ų10858.4 Ų58.458%0.57832%0.322SS*.THydrogen-bonded Turntrans-90.111.7179.5-61.3-35000112.4Q242 N276 N280Q242-N278 PolarHBondContact NE2-ND2 3.04Å; Q242-N278 PolarHBondContact OE1-ND2 2.77Å; N276-N278 VanDerWaalsContact C-N 3.31Å; N276-N278 PolarHBondContact OD1-N 3.43Å; N278-N280 PolarHBondContact O-N 2.89Å
279R97.5Very high97Very high55 Ų5559.6 Ų59.621%0.20833%0.33CS..  trans-68.9127.2-176-171.3176.1-69.9150.5-1.6110.3E239 L274 N276 V277 V283 E284 R287E239-R279 IonicContact OE1-CZ 3.59Å; E239-R279 VanDerWaalsContact OE1-CZ 3.31Å; E239-R279 IonicContact OE1-NE 3.64Å; E239-R279 PolarHBondContact OE1-NE 2.87Å; E239-R279 VanDerWaalsContact OE1-NE 3.1Å; E239-R279 IonicContact OE1-NH2 2.72Å; E239-R279 PolarHBondContact OE1-NH2 3.33Å; E239-R279 IonicContact OE2-CZ 2.91Å; E239-R279 IonicContact OE2-NE 3.7Å; E239-R279 PolarHBondContact OE2-NE 3.2Å; E239-R279 IonicContact OE2-NH2 3.09Å; L274-R279 PolarHBondContact O-NH1 3.46Å; L274-R279 PolarHBondContact O-NH2 3.04Å; N276-R279 HydrophobicContact CB-CB 4.22Å; N276-R279 VanDerWaalsContact O-CB 3.25Å; N276-R279 WeakPolarHBondContact O-CB 3.47Å; N276-R279 PolarHBondContact O-N 2.74Å; V277-R279 PolarHBondContact O-N 3.04Å; R279-V283 HydrophobicContact CG-CB 3.9Å; R279-V283 HydrophobicContact CG-CG1 3.73Å; R279-E284 HydrophobicContact CG-CG 3.76Å; R279-R287 VanDerWaalsContact CZ-NE 3.3Å; R279-R287 VanDerWaalsContact NH2-CZ 3.28Å
280N97.4Very high97.1Very high66 Ų6659 Ų5935%0.35333%0.327SS..  trans-100.4168.1175.670.739000112.1N278 A282 V283 E284N278-N280 PolarHBondContact O-N 2.89Å; N280-A282 VanDerWaalsContact C-N 3.26Å; N280-A282 PolarHBondContact O-N 3.18Å; N280-A282 WeakPolarHBondContact OD1-CB 3.43Å; N280-A282 PolarHBondContact OD1-N 3.23Å; N280-A282 VanDerWaalsContact OD1-N 3.08Å; N280-V283 WeakPolarHBondContact O-CB 3.33Å; N280-V283 PolarHBondContact O-N 3.46Å; N280-V283 WeakPolarHBondContact OD1-CG2 3.1Å; N280-V283 PolarHBondContact OD1-N 2.91Å; N280-E284 PolarHBondContact O-N 3.19Å
281A97.9Very high97Very high77 Ų7759.9 Ų59.964%0.63634%0.337SS*.Hα-helixtrans-57.4-33.8-177.200000114E284 L285A281-E284 PolarHBondContact O-N 3.46Å; A281-L285 WeakPolarHBondContact O-CB 3.48Å; A281-L285 PolarHBondContact O-N 2.96Å
282A96.8Very high97Very high53 Ų5366.7 Ų66.744%0.43836%0.362SS..Hα-helixtrans-69.7-36.7178.300000111.9N280 T286N280-A282 VanDerWaalsContact C-N 3.26Å; N280-A282 PolarHBondContact O-N 3.18Å; N280-A282 WeakPolarHBondContact OD1-CB 3.43Å; N280-A282 PolarHBondContact OD1-N 3.23Å; N280-A282 VanDerWaalsContact OD1-N 3.08Å; A282-T286 WeakPolarHBondContact O-CB 3.37Å; A282-T286 PolarHBondContact O-N 3.41Å; A282-T286 VanDerWaalsContact O-N 3.07Å; A282-T286 PolarHBondContact O-OG1 2.99Å
283V98.3Very high97.1Very high2 Ų265.4 Ų65.41%0.01235%0.35CS..Hα-helixtrans-67.7-47.6173.31780000110.3E239 L240 R279 N280 L285 T286 R287 P393E239-V283 HydrophobicContact CB-CG1 4.06Å; E239-V283 VanDerWaalsContact CD-CG1 3.45Å; E239-V283 HydrophobicContact CG-CG1 3.72Å; E239-V283 WeakPolarHBondContact OE2-CG1 3.44Å; L240-V283 HydrophobicContact CD1-CG2 4.46Å; L240-V283 HydrophobicContact CG-CG2 4.31Å; R279-V283 HydrophobicContact CG-CB 3.9Å; R279-V283 HydrophobicContact CG-CG1 3.73Å; N280-V283 WeakPolarHBondContact O-CB 3.33Å; N280-V283 PolarHBondContact O-N 3.46Å; N280-V283 WeakPolarHBondContact OD1-CG2 3.1Å; N280-V283 PolarHBondContact OD1-N 2.91Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.07Å; V283-T286 PolarHBondContact O-N 3.46Å; V283-T286 VanDerWaalsContact O-N 3.13Å; V283-R287 HydrophobicContact CG1-CG 4.31Å; V283-R287 VanDerWaalsContact O-CG 3.31Å; V283-R287 WeakPolarHBondContact O-CG 3.47Å; V283-R287 PolarHBondContact O-N 2.85Å; V283-P393 HydrophobicContact CB-CB 4.33Å; V283-P393 HydrophobicContact CG2-CB 3.84Å
284E97.5Very high97.3Very high87 Ų8762 Ų6241%0.40733%0.331SS..Hα-helixtrans-56.5-46.7176.6-68-173.5164.200112.5R279 N280 A281 T286 R287 R288R279-E284 HydrophobicContact CG-CG 3.76Å; N280-E284 PolarHBondContact O-N 3.19Å; A281-E284 PolarHBondContact O-N 3.46Å; E284-T286 VanDerWaalsContact C-N 3.31Å; E284-T286 PolarHBondContact O-N 2.8Å; E284-R287 PolarHBondContact O-N 2.92Å; E284-R288 WeakPolarHBondContact O-CG 3.4Å; E284-R288 PolarHBondContact O-N 2.94Å
285L97.3Very high97.3Very high92 Ų9263.3 Ų63.348%0.48234%0.335SS..Hα-helixtrans-62.2-41.2177.6-176.266000111.5A281 V283 R288 H289A281-L285 WeakPolarHBondContact O-CB 3.48Å; A281-L285 PolarHBondContact O-N 2.96Å; V283-L285 VanDerWaalsContact C-N 3.34Å; V283-L285 PolarHBondContact O-N 3.07Å; L285-R288 PolarHBondContact O-N 2.77Å; L285-H289 PolarHBondContact O-ND1 3.14Å
286T98.2Very high97.4Very high4 Ų458 Ų583%0.02530%0.298CS..Hα-helixtrans-65.8-42.7179.1-59.60000111.3A282 V283 E284 R288 H289 I290 V377 P393 C394A282-T286 WeakPolarHBondContact O-CB 3.37Å; A282-T286 PolarHBondContact O-N 3.41Å; A282-T286 VanDerWaalsContact O-N 3.07Å; A282-T286 PolarHBondContact O-OG1 2.99Å; V283-T286 PolarHBondContact O-N 3.46Å; V283-T286 VanDerWaalsContact O-N 3.13Å; E284-T286 VanDerWaalsContact C-N 3.31Å; E284-T286 PolarHBondContact O-N 2.8Å; T286-R288 VanDerWaalsContact C-N 3.28Å; T286-R288 PolarHBondContact O-N 2.8Å; T286-H289 PolarHBondContact O-N 3.08Å; T286-I290 PolarHBondContact O-N 3.22Å; T286-V377 HydrophobicContact CG2-CB 3.94Å; T286-V377 HydrophobicContact CG2-CG2 3.93Å; T286-P393 HydrophobicContact CG2-CB 4.09Å; T286-P393 HydrophobicContact CG2-CG 4.41Å; T286-P393 WeakPolarHBondContact OG1-CG 3.26Å; T286-C394 HydrophobicContact CG2-CB 3.99Å
287R98.3Very high97.4Very high25 Ų2557.3 Ų57.39%0.09429%0.294CS..Hα-helixtrans-57.1-39.6177.5-72170.459.677.13.1112.6Y237 E239 L271 G272 L274 R279 V283 E284 H289 I290 C394Y237-R287 PolarHBondContact OH-NH1 3.1Å; Y237-R287 VanDerWaalsContact OH-NH1 3.12Å; E239-R287 WeakPolarHBondContact OE1-CD 3.25Å; E239-R287 IonicContact OE1-CZ 2.74Å; E239-R287 IonicContact OE1-NE 2.86Å; E239-R287 IonicContact OE1-NH1 2.67Å; E239-R287 PolarHBondContact OE1-NH1 3Å; E239-R287 VanDerWaalsContact OE1-NH1 3.13Å; L271-R287 VanDerWaalsContact O-CZ 3.29Å; L271-R287 PolarHBondContact O-NH1 3.15Å; L271-R287 PolarHBondContact O-NH2 2.82Å; G272-R287 VanDerWaalsContact CA-NH2 3.33Å; G272-R287 PolarHBondContact O-NH2 3.26Å; L274-R287 PolarHBondContact O-NH2 2.86Å; R279-R287 VanDerWaalsContact CZ-NE 3.3Å; R279-R287 VanDerWaalsContact NH2-CZ 3.28Å; V283-R287 HydrophobicContact CG1-CG 4.31Å; V283-R287 VanDerWaalsContact O-CG 3.31Å; V283-R287 WeakPolarHBondContact O-CG 3.47Å; V283-R287 PolarHBondContact O-N 2.85Å; E284-R287 PolarHBondContact O-N 2.92Å; R287-H289 PolarHBondContact O-N 3.46Å; R287-I290 HydrophobicContact CG-CD1 4.45Å; R287-I290 WeakPolarHBondContact O-CB 3.42Å; R287-I290 PolarHBondContact O-N 3.31Å; R287-I290 VanDerWaalsContact O-N 3.17Å; R287-C394 VanDerWaalsContact CG-SG 3.51Å
288R97.6Very high97.2Very high181 Ų18151.9 Ų51.968%0.68326%0.258SS*.Hα-helixtrans-60.8-28.4176.3-66.3176.6-164.5162.87113.2E284 L285 T286E284-R288 WeakPolarHBondContact O-CG 3.4Å; E284-R288 PolarHBondContact O-N 2.94Å; L285-R288 PolarHBondContact O-N 2.77Å; T286-R288 VanDerWaalsContact C-N 3.28Å; T286-R288 PolarHBondContact O-N 2.8Å
289H97.8Very high96.9Very high89 Ų8947.4 Ų47.441%0.41223%0.234SC..THydrogen-bonded Turntrans-92.9-3.1-179-67.685.3000113.5L285 T286 R287 G291 S309 V377L285-H289 PolarHBondContact O-ND1 3.14Å; T286-H289 PolarHBondContact O-N 3.08Å; R287-H289 PolarHBondContact O-N 3.46Å; H289-G291 VanDerWaalsContact C-N 3.33Å; H289-S309 PolarHBondContact O-OG 3.26Å; H289-V377 HydrophobicContact CB-CG1 4.31Å; H289-V377 HydrophobicContact CB-CG2 3.69Å
290I98.4Very high96.3Very high1 Ų145.4 Ų45.41%0.00523%0.23CC..THydrogen-bonded Turntrans-61.8-46.7172.6-61.8177.2000109L271 T286 R287 R292 G293 S309 F376 C394L271-I290 HydrophobicContact CD1-CD1 4.02Å; T286-I290 PolarHBondContact O-N 3.22Å; R287-I290 HydrophobicContact CG-CD1 4.45Å; R287-I290 WeakPolarHBondContact O-CB 3.42Å; R287-I290 PolarHBondContact O-N 3.31Å; R287-I290 VanDerWaalsContact O-N 3.17Å; I290-R292 PolarHBondContact O-N 2.85Å; I290-G293 WeakPolarHBondContact O-CA 3.29Å; I290-G293 PolarHBondContact O-N 2.89Å; I290-S309 WeakPolarHBondContact O-CB 3.3Å; I290-S309 PolarHBondContact O-OG 3.3Å; I290-F376 HydrophobicContact CD1-CB 4.42Å; I290-F376 HydrophobicContact CD1-CD2 4.28Å; I290-F376 HydrophobicContact CD1-CG 4.27Å; I290-F376 HydrophobicContact CG1-CB 3.93Å; I290-F376 HydrophobicContact CG1-CD1 4.36Å; I290-F376 HydrophobicContact CG1-CG 4.05Å; I290-F376 HydrophobicContact CG2-CD1 3.95Å; I290-F376 HydrophobicContact CG2-CE1 4.08Å; I290-F376 HydrophobicContact CG2-CG 4.41Å; I290-C394 HydrophobicContact CD1-CB 4.24Å
291G96.9Very high95.9Very high22 Ų2242.4 Ų42.423%0.22722%0.215CC..THydrogen-bonded Turntrans55.4-125.8177.700000111.3D258 G259 H289 G293D258-G291 WeakPolarHBondContact CB-O 3.46Å; G259-G291 PolarHBondContact N-O 2.69Å; H289-G291 VanDerWaalsContact C-N 3.33Å; G291-G293 PolarHBondContact O-N 3.15Å
292R96.7Very high95.7Very high143 Ų14340.7 Ų40.754%0.5419%0.194SC..THydrogen-bonded Turntrans-70.8-7.6175.8-61.717262.5-145.3-1.8114.3T256 F260 I290 L308T256-R292 WeakPolarHBondContact CG2-O 3.34Å; F260-R292 HydrophobicContact CE2-CG 4.05Å; F260-R292 HydrophobicContact CZ-CG 4.22Å; I290-R292 PolarHBondContact O-N 2.85Å; R292-L308 HydrophobicContact CB-CB 3.77Å; R292-L308 WeakPolarHBondContact CB-O 3.45Å
293G98.1Very high95.7Very high0 Ų038.3 Ų38.30%017%0.174CC..  trans62.1-129.9169.900000115V257 I290 G291 L308 S309V257-G293 CarbonylContact O-C 3.58Å; V257-G293 VanDerWaalsContact O-CA 3.27Å; V257-G293 WeakPolarHBondContact O-CA 3.38Å; I290-G293 WeakPolarHBondContact O-CA 3.29Å; I290-G293 PolarHBondContact O-N 2.89Å; G291-G293 PolarHBondContact O-N 3.15Å; G293-L308 CarbonylContact O-C 3.57Å; G293-L308 WeakPolarHBondContact O-CA 3.27Å; G293-L308 PolarHBondContact O-N 2.95Å; G293-S309 PolarHBondContact O-N 3.41Å
294V98.6Very high95.7Very high0 Ų039.8 Ų39.80%018%0.18CC..EExtended strand (participates in β ladder)trans-124.7135.9-177.259.10000110.5T256 V257 L296 A305 E306 I313 M374 F376 I396T256-V294 CarbonylContact C-O 3.57Å; T256-V294 WeakPolarHBondContact CA-O 3.49Å; T256-V294 WeakPolarHBondContact CG2-O 3.42Å; V257-V294 HydrophobicContact CB-CG1 3.9Å; V257-V294 HydrophobicContact CG2-CG1 4.35Å; V257-V294 PolarHBondContact N-O 2.75Å; V257-V294 PolarHBondContact O-N 2.79Å; V294-L296 HydrophobicContact CG2-CD2 4.12Å; V294-L296 HydrophobicContact CG2-CG 4.41Å; V294-A305 HydrophobicContact CG2-CB 4.06Å; V294-E306 WeakPolarHBondContact CA-O 3.28Å; V294-E306 WeakPolarHBondContact CG2-O 3.33Å; V294-I313 HydrophobicContact CB-CD1 3.85Å; V294-I313 HydrophobicContact CG2-CD1 3.55Å; V294-M374 HydrophobicContact CB-CE 4.29Å; V294-M374 HydrophobicContact CG1-CE 4.32Å; V294-M374 HydrophobicContact CG2-CE 3.69Å; V294-F376 HydrophobicContact CB-CE1 4.39Å; V294-F376 HydrophobicContact CG1-CE1 3.86Å; V294-F376 HydrophobicContact CG1-CZ 4Å; V294-I396 HydrophobicContact CG1-CD1 4.39Å
295R97.8Very high95.7Very high51 Ų5135.7 Ų35.719%0.19216%0.161CC..EExtended strand (participates in β ladder)trans-95.2127.5165.8178.9168.967.4175.3-1109.5H101 M255 Y297 E306 L308H101-R295 PolarHBondContact NE2-NH2 3.32Å; M255-R295 WeakPolarHBondContact O-CA 3.42Å; R295-Y297 HydrophobicContact CG-CD1 4.26Å; R295-E306 HydrophobicContact CB-CB 4.38Å; R295-E306 IonicContact CZ-OE2 3.2Å; R295-E306 PolarHBondContact N-O 3Å; R295-E306 IonicContact NE-OE2 2.76Å; R295-E306 PolarHBondContact NE-OE2 2.9Å; R295-E306 VanDerWaalsContact NH2-CD 3.31Å; R295-E306 IonicContact NH2-OE1 2.75Å; R295-E306 PolarHBondContact NH2-OE1 2.77Å; R295-E306 IonicContact NH2-OE2 3.85Å; R295-E306 PolarHBondContact NH2-OE2 3.42Å; R295-E306 PolarHBondContact O-N 2.9Å; R295-L308 HydrophobicContact CB-CD1 3.73Å; R295-L308 HydrophobicContact CB-CG 4.04Å
296L97.8Very high95.8Very high0 Ų032.7 Ų32.70%015%0.145CC..EExtended strand (participates in β ladder)trans-109.2132.1174.1-61.3168.8000108.3W232 I235 S254 M255 V257 V294 F304 A305 I342 M374 L398W232-L296 HydrophobicContact CH2-CB 4.09Å; W232-L296 HydrophobicContact CZ2-CB 4.49Å; I235-L296 HydrophobicContact CD1-CD1 3.62Å; S254-L296 WeakPolarHBondContact CA-O 3.5Å; M255-L296 HydrophobicContact CG-CB 4.31Å; M255-L296 PolarHBondContact N-O 2.9Å; M255-L296 PolarHBondContact O-N 2.79Å; M255-L296 VanDerWaalsContact O-O 3.13Å; M255-L296 HydrophobicContact SD-CB 4.37Å; M255-L296 HydrophobicContact SD-CD1 4.03Å; V257-L296 HydrophobicContact CG2-CD1 4.25Å; V294-L296 HydrophobicContact CG2-CD2 4.12Å; V294-L296 HydrophobicContact CG2-CG 4.41Å; L296-F304 WeakPolarHBondContact CA-O 3.36Å; L296-A305 HydrophobicContact CD2-CB 3.94Å; L296-I342 HydrophobicContact CD2-CD1 4.13Å; L296-M374 HydrophobicContact CD2-SD 4.18Å; L296-L398 HydrophobicContact CD1-CD2 3.52Å; L296-L398 HydrophobicContact CD1-CG 4.3Å; L296-L398 HydrophobicContact CD2-CD2 3.96Å; L296-L398 HydrophobicContact CG-CD2 4.39Å
297Y94.3Very high95.8Very high7 Ų732.5 Ų32.53%0.02714%0.143CC..EExtended strand (participates in β ladder)trans-140.1138.3176.356.1-86.1000112H101 P253 R295 I299 V303 F304 E306H101-Y297 HydrophobicContact CB-CD2 4.06Å; H101-Y297 HydrophobicContact CB-CE2 4.01Å; H101-Y297 AromaticContact CD2-CD1 3.79Å; H101-Y297 AromaticContact CD2-CD2 3.66Å; H101-Y297 AromaticContact CD2-CE1 3.68Å; H101-Y297 AromaticContact CD2-CE2 3.53Å; H101-Y297 AromaticContact CD2-CG 3.77Å; H101-Y297 AromaticContact CD2-CZ 3.55Å; H101-Y297 AromaticContact CE1-CZ 3.59Å; H101-Y297 AromaticContact CG-CE2 3.69Å; H101-Y297 AromaticContact CG-CZ 3.99Å; H101-Y297 AromaticContact NE2-CD1 3.85Å; H101-Y297 AromaticContact NE2-CE1 3.33Å; H101-Y297 VanDerWaalsContact NE2-CE1 3.33Å; H101-Y297 WeakPolarHBondContact NE2-CE1 3.34Å; H101-Y297 AromaticContact NE2-CE2 3.77Å; H101-Y297 AromaticContact NE2-CZ 3.28Å; H101-Y297 VanDerWaalsContact NE2-CZ 3.28Å; P253-Y297 CarbonylContact O-C 3.59Å; P253-Y297 WeakPolarHBondContact O-CA 3.42Å; R295-Y297 HydrophobicContact CG-CD1 4.26Å; Y297-I299 HydrophobicContact CD2-CD1 3.63Å; Y297-I299 HydrophobicContact CD2-CG1 4.14Å; Y297-I299 HydrophobicContact CE2-CD1 4.38Å; Y297-I299 HydrophobicContact CG-CD1 4.43Å; Y297-V303 WeakPolarHBondContact O-CA 3.25Å; Y297-F304 HydrophobicContact CD1-CB 4.1Å; Y297-F304 HydrophobicContact CD2-CB 3.85Å; Y297-F304 AromaticContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CG 4.11Å; Y297-F304 HydrophobicContact CE1-CB 3.59Å; Y297-F304 HydrophobicContact CE1-CG 4.48Å; Y297-F304 HydrophobicContact CE2-CB 3.33Å; Y297-F304 HydrophobicContact CE2-CD1 4.22Å; Y297-F304 AromaticContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CE2 4.16Å; Y297-F304 AromaticContact CE2-CG 3.38Å; Y297-F304 HydrophobicContact CE2-CG 3.38Å; Y297-F304 HydrophobicContact CG-CB 4.22Å; Y297-F304 AromaticContact CZ-CG 3.6Å; Y297-F304 PolarHBondContact N-O 2.93Å; Y297-F304 VanDerWaalsContact N-O 3.15Å; Y297-F304 PolarHBondContact O-N 3.03Å; Y297-F304 WeakPolarHBondContact OH-CB 3.46Å; Y297-E306 HydrophobicContact CE1-CB 4.2Å
298Y92.4Very high95.7Very high26 Ų2632.5 Ų32.510%0.10215%0.145CC..EExtended strand (participates in β ladder)trans-112.5112.3-179174.7-112.3000109.7E228 W232 P253 E302 V303 N345E228-Y298 WeakPolarHBondContact OE1-CE1 3.39Å; E228-Y298 PolarHBondContact OE1-OH 3.03Å; W232-Y298 HydrophobicContact CB-CD1 4.31Å; W232-Y298 HydrophobicContact CD2-CG 4.31Å; W232-Y298 HydrophobicContact CE3-CG 4.31Å; W232-Y298 HydrophobicContact CG-CD1 4.4Å; W232-Y298 HydrophobicContact CG-CG 4.44Å; P253-Y298 PolarHBondContact O-N 2.85Å; Y298-E302 CarbonylContact C-O 3.51Å; Y298-E302 WeakPolarHBondContact CA-O 3.33Å; Y298-V303 HydrophobicContact CD2-CG2 3.78Å; Y298-N345 PolarHBondContact OH-ND2 3.3Å; Y298-N345 VanDerWaalsContact OH-ND2 3.08Å
299I89Confident95.8Very high15 Ų1524 Ų248%0.07711%0.114CC..EExtended strand (participates in β ladder)trans-146.5129-172-58.5177.9000109.2H101 E102 V130 Y297 G301 E302H101-I299 VanDerWaalsContact C-CD1 3.44Å; H101-I299 HydrophobicContact CB-CD1 3.07Å; E102-I299 HydrophobicContact CG-CD1 4.11Å; E102-I299 HydrophobicContact CG-CG1 4.35Å; E102-I299 HydrophobicContact CG-CG2 4.47Å; V130-I299 HydrophobicContact CB-CG2 3.83Å; V130-I299 HydrophobicContact CG1-CG2 3.85Å; V130-I299 HydrophobicContact CG2-CG2 4.38Å; Y297-I299 HydrophobicContact CD2-CD1 3.63Å; Y297-I299 HydrophobicContact CD2-CG1 4.14Å; Y297-I299 HydrophobicContact CE2-CD1 4.38Å; Y297-I299 HydrophobicContact CG-CD1 4.43Å; I299-G301 PolarHBondContact O-N 3.07Å; I299-E302 PolarHBondContact N-O 2.75Å; I299-E302 WeakPolarHBondContact O-CB 3.48Å; I299-E302 PolarHBondContact O-N 2.97Å
300G84.9Confident95.8Very high12 Ų1227 Ų2712%0.12413%0.132CC..THydrogen-bonded Turntrans62.828.9175.100000113.8P133 E302P133-G300 WeakPolarHBondContact CD-O 3.4Å; G300-E302 VanDerWaalsContact C-N 3.29Å; G300-E302 PolarHBondContact O-N 2.76Å
301G89.3Confident95.8Very high3 Ų328.1 Ų28.13%0.03114%0.141CC..THydrogen-bonded Turntrans76.911.5-174.400000114.5I299 N345I299-G301 PolarHBondContact O-N 3.07Å; G301-N345 VanDerWaalsContact O-CB 3.25Å; G301-N345 WeakPolarHBondContact O-CB 3.49Å; G301-N345 VanDerWaalsContact O-CG 3.3Å; G301-N345 PolarHBondContact O-N 3.17Å
302E94.7Very high95.8Very high42 Ų4227.8 Ų27.820%0.19614%0.135CC..EExtended strand (participates in β ladder)trans-119.2142.9179.9-51.6-168.3130.400110.7Y298 I299 G300 F304 K341 F343 N344Y298-E302 CarbonylContact C-O 3.51Å; Y298-E302 WeakPolarHBondContact CA-O 3.33Å; I299-E302 PolarHBondContact N-O 2.75Å; I299-E302 WeakPolarHBondContact O-CB 3.48Å; I299-E302 PolarHBondContact O-N 2.97Å; G300-E302 VanDerWaalsContact C-N 3.29Å; G300-E302 PolarHBondContact O-N 2.76Å; E302-F304 HydrophobicContact CB-CD2 4.36Å; E302-F304 HydrophobicContact CB-CE2 3.64Å; E302-F304 HydrophobicContact CB-CZ 4.22Å; E302-F304 WeakPolarHBondContact OE2-CZ 3.12Å; E302-K341 HydrophobicContact CB-CD 4.5Å; E302-K341 VanDerWaalsContact CD-CE 3.46Å; E302-K341 WeakPolarHBondContact OE1-CE 3.48Å; E302-K341 IonicContact OE1-NZ 2.72Å; E302-K341 PolarHBondContact OE1-NZ 2.91Å; E302-K341 WeakPolarHBondContact OE2-CE 3.31Å; E302-K341 IonicContact OE2-NZ 3.1Å; E302-K341 PolarHBondContact OE2-NZ 3.48Å; E302-F343 WeakPolarHBondContact CA-O 3.42Å; E302-N344 PolarHBondContact OE1-ND2 3.04Å
303V96.8Very high95.9Very high2 Ų221 Ų211%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-110.6133.4174.7-171.80000109.1W232 Y297 Y298 K341 I342 F343 L400W232-V303 HydrophobicContact CE3-CG2 4.46Å; W232-V303 HydrophobicContact CH2-CG1 4.11Å; W232-V303 HydrophobicContact CZ3-CG1 3.79Å; W232-V303 HydrophobicContact CZ3-CG2 4.05Å; Y297-V303 WeakPolarHBondContact O-CA 3.25Å; Y298-V303 HydrophobicContact CD2-CG2 3.78Å; V303-K341 CarbonylContact O-C 3.16Å; V303-I342 HydrophobicContact CB-CG1 4.02Å; V303-I342 HydrophobicContact CG1-CD1 3.79Å; V303-I342 HydrophobicContact CG1-CG1 3.8Å; V303-I342 WeakPolarHBondContact O-CG1 3.13Å; V303-I342 PolarHBondContact O-N 3.16Å; V303-F343 HydrophobicContact CB-CB 3.85Å; V303-F343 HydrophobicContact CG2-CB 3.98Å; V303-F343 PolarHBondContact N-O 2.99Å; V303-F343 PolarHBondContact O-N 3.26Å; V303-F343 VanDerWaalsContact O-N 3.15Å; V303-L400 HydrophobicContact CG2-CD1 4.44Å; V303-L400 HydrophobicContact CG2-CD2 4.08Å
304F97.5Very high96Very high34 Ų3421.5 Ų21.515%0.14911%0.112CC..EExtended strand (participates in β ladder)trans-121.9147.3176.8-63-100000111.3L296 Y297 E302 L340 K341L296-F304 WeakPolarHBondContact CA-O 3.36Å; Y297-F304 HydrophobicContact CD1-CB 4.1Å; Y297-F304 HydrophobicContact CD2-CB 3.85Å; Y297-F304 AromaticContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CD2 3.79Å; Y297-F304 HydrophobicContact CD2-CG 4.11Å; Y297-F304 HydrophobicContact CE1-CB 3.59Å; Y297-F304 HydrophobicContact CE1-CG 4.48Å; Y297-F304 HydrophobicContact CE2-CB 3.33Å; Y297-F304 HydrophobicContact CE2-CD1 4.22Å; Y297-F304 AromaticContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CD2 3.34Å; Y297-F304 HydrophobicContact CE2-CE2 4.16Å; Y297-F304 AromaticContact CE2-CG 3.38Å; Y297-F304 HydrophobicContact CE2-CG 3.38Å; Y297-F304 HydrophobicContact CG-CB 4.22Å; Y297-F304 AromaticContact CZ-CG 3.6Å; Y297-F304 PolarHBondContact N-O 2.93Å; Y297-F304 VanDerWaalsContact N-O 3.15Å; Y297-F304 PolarHBondContact O-N 3.03Å; Y297-F304 WeakPolarHBondContact OH-CB 3.46Å; E302-F304 HydrophobicContact CB-CD2 4.36Å; E302-F304 HydrophobicContact CB-CE2 3.64Å; E302-F304 HydrophobicContact CB-CZ 4.22Å; E302-F304 WeakPolarHBondContact OE2-CZ 3.12Å; F304-L340 VanDerWaalsContact CA-O 3.3Å; F304-L340 WeakPolarHBondContact CA-O 3.42Å; F304-K341 HydrophobicContact CD1-CB 3.81Å; F304-K341 HydrophobicContact CD1-CG 4.28Å; F304-K341 HydrophobicContact CE1-CB 3.59Å; F304-K341 HydrophobicContact CE1-CD 4.45Å; F304-K341 HydrophobicContact CE1-CG 3.91Å; F304-K341 HydrophobicContact CZ-CB 4.28Å; F304-K341 HydrophobicContact CZ-CD 4.36Å; F304-K341 HydrophobicContact CZ-CG 4.09Å
305A98.4Very high96Very high0 Ų021.6 Ų21.60%011%0.113CC..EExtended strand (participates in β ladder)trans-113.8129.7167.100000110V294 L296 I334 N339 L340 I342 M374V294-A305 HydrophobicContact CG2-CB 4.06Å; L296-A305 HydrophobicContact CD2-CB 3.94Å; A305-I334 HydrophobicContact CB-CD1 3.93Å; A305-N339 CarbonylContact O-C 3.53Å; A305-N339 WeakPolarHBondContact O-CA 3.47Å; A305-L340 PolarHBondContact N-O 3.01Å; A305-L340 PolarHBondContact O-N 3.19Å; A305-I342 HydrophobicContact CB-CD1 4.06Å; A305-I342 HydrophobicContact CB-CG2 3.8Å; A305-M374 HydrophobicContact CB-CE 3.9Å; A305-M374 HydrophobicContact CB-SD 4.21Å
306E98.2Very high96Very high30 Ų3020.7 Ų20.714%0.1411%0.111CC..EExtended strand (participates in β ladder)trans-120.9125.9175.4179.6-177.2-179.300110.4H101 V294 R295 Y297 L308 C338 N339H101-E306 IonicContact NE2-OE2 3.87Å; V294-E306 WeakPolarHBondContact CA-O 3.28Å; V294-E306 WeakPolarHBondContact CG2-O 3.33Å; R295-E306 HydrophobicContact CB-CB 4.38Å; R295-E306 IonicContact CZ-OE2 3.2Å; R295-E306 PolarHBondContact N-O 3Å; R295-E306 IonicContact NE-OE2 2.76Å; R295-E306 PolarHBondContact NE-OE2 2.9Å; R295-E306 VanDerWaalsContact NH2-CD 3.31Å; R295-E306 IonicContact NH2-OE1 2.75Å; R295-E306 PolarHBondContact NH2-OE1 2.77Å; R295-E306 IonicContact NH2-OE2 3.85Å; R295-E306 PolarHBondContact NH2-OE2 3.42Å; R295-E306 PolarHBondContact O-N 2.9Å; Y297-E306 HydrophobicContact CE1-CB 4.2Å; E306-L308 HydrophobicContact CG-CD2 4.04Å; E306-L308 PolarHBondContact O-N 3.49Å; E306-C338 WeakPolarHBondContact CA-O 3.25Å; E306-N339 HydrophobicContact CB-CB 3.86Å; E306-N339 HydrophobicContact CG-CB 4.11Å
307C98.4Very high96Very high0 Ų020.8 Ų20.80%011%0.111CC..EExtended strand (participates in β ladder)trans-79.7107.1179.6-172.10000109.9S311 I313 I334 P335 G337 C338C307-S311 PolarHBondContact SG-O 2.67Å; C307-I313 HydrophobicContact CB-CD1 3.83Å; C307-I313 HydrophobicContact CB-CG1 4.02Å; C307-I334 HydrophobicContact CB-CG2 3.86Å; C307-P335 VanDerWaalsContact CB-O 3.28Å; C307-P335 WeakPolarHBondContact CB-O 3.22Å; C307-G337 WeakPolarHBondContact O-CA 3.27Å; C307-G337 PolarHBondContact O-N 3.13Å; C307-C338 PolarHBondContact N-O 3.06Å
308L97.5Very high96.2Very high24 Ų2421.4 Ų21.413%0.12612%0.116CC..  trans-94.2-17.3175.1-60.9-173.3000112.8T256 R292 G293 R295 E306T256-L308 HydrophobicContact CG2-CD1 4.23Å; R292-L308 HydrophobicContact CB-CB 3.77Å; R292-L308 WeakPolarHBondContact CB-O 3.45Å; G293-L308 CarbonylContact O-C 3.57Å; G293-L308 WeakPolarHBondContact O-CA 3.27Å; G293-L308 PolarHBondContact O-N 2.95Å; R295-L308 HydrophobicContact CB-CD1 3.73Å; R295-L308 HydrophobicContact CB-CG 4.04Å; E306-L308 HydrophobicContact CG-CD2 4.04Å; E306-L308 PolarHBondContact O-N 3.49Å
309S97.9Very high96.4Very high4 Ų420.4 Ų20.43%0.02811%0.112CC..SBendtrans-65.5151.1173.6-175.80000111.6H289 I290 G293 S311 P336H289-S309 PolarHBondContact O-OG 3.26Å; I290-S309 WeakPolarHBondContact O-CB 3.3Å; I290-S309 PolarHBondContact O-OG 3.3Å; G293-S309 PolarHBondContact O-N 3.41Å; S309-S311 VanDerWaalsContact CB-O 3.32Å; S309-S311 WeakPolarHBondContact CB-O 3.36Å; S309-S311 PolarHBondContact O-N 3.31Å; S309-S311 PolarHBondContact OG-N 2.87Å; S309-S311 VanDerWaalsContact OG-N 3.07Å; S309-S311 PolarHBondContact OG-O 2.86Å; S309-P336 WeakPolarHBondContact O-CB 3.13Å
310D97.9Very high96.7Very high150 Ų15019.8 Ų19.880%0.80211%0.109SC*.SBendtrans-73.9-8.9169.1-57.4-42.9000111.9P336D310-P336 VanDerWaalsContact O-CG 3.23Å; D310-P336 WeakPolarHBondContact O-CG 3.45Å
311S98.3Very high97.3Very high26 Ų2619.2 Ų19.218%0.18210%0.104CC..SBendtrans-109144172.5-68.10000111.2C307 S309C307-S311 PolarHBondContact SG-O 2.67Å; S309-S311 VanDerWaalsContact CB-O 3.32Å; S309-S311 WeakPolarHBondContact CB-O 3.36Å; S309-S311 PolarHBondContact O-N 3.31Å; S309-S311 PolarHBondContact OG-N 2.87Å; S309-S311 VanDerWaalsContact OG-N 3.07Å; S309-S311 PolarHBondContact OG-O 2.86Å
312A98.5Very high97.6Very high14 Ų1423.9 Ų23.912%0.11613%0.125CC..  trans-62.3153.1178.400000112.6F314 K333 I334 V377A312-F314 HydrophobicContact CB-CE2 4.29Å; A312-F314 HydrophobicContact CB-CZ 4.25Å; A312-K333 HydrophobicContact CB-CD 4.48Å; A312-K333 HydrophobicContact CB-CG 4.08Å; A312-I334 WeakPolarHBondContact CA-O 3.38Å; A312-V377 WeakPolarHBondContact O-CA 3.31Å; A312-V377 PolarHBondContact O-N 3.37Å
313I98.8Very high97.6Very high2 Ų225 Ų251%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-112.6155.2169.762.9-174000109.7V294 C307 I334 M374 S375 F376V294-I313 HydrophobicContact CB-CD1 3.85Å; V294-I313 HydrophobicContact CG2-CD1 3.55Å; C307-I313 HydrophobicContact CB-CD1 3.83Å; C307-I313 HydrophobicContact CB-CG1 4.02Å; I313-I334 HydrophobicContact CD1-CB 4.28Å; I313-I334 HydrophobicContact CD1-CD1 4.2Å; I313-I334 HydrophobicContact CG1-CB 3.71Å; I313-I334 HydrophobicContact CG1-CD1 4.24Å; I313-I334 HydrophobicContact CG1-CG1 4.34Å; I313-I334 HydrophobicContact CG1-CG2 4.4Å; I313-I334 PolarHBondContact N-O 3.43Å; I313-I334 PolarHBondContact O-N 3.34Å; I313-M374 HydrophobicContact CD1-CE 3.53Å; I313-M374 HydrophobicContact CG1-CE 4.22Å; I313-S375 WeakPolarHBondContact CA-O 3.47Å; I313-F376 HydrophobicContact CG2-CD1 3.87Å; I313-F376 HydrophobicContact CG2-CE1 4.35Å
314F98.6Very high97.4Very high10 Ų1030.4 Ų30.44%0.04415%0.148CC..EExtended strand (participates in β ladder)trans-126.9126-173.9-59.8-93.4000108.6A312 V331 C332 K333 M374 S375 V377 K378 G379 W380 Y384A312-F314 HydrophobicContact CB-CE2 4.29Å; A312-F314 HydrophobicContact CB-CZ 4.25Å; F314-V331 HydrophobicContact CB-CG1 3.75Å; F314-C332 CarbonylContact C-O 3.47Å; F314-C332 WeakPolarHBondContact CA-O 3.34Å; F314-K333 HydrophobicContact CD1-CB 3.96Å; F314-K333 HydrophobicContact CD1-CG 4.06Å; F314-K333 HydrophobicContact CE1-CB 3.92Å; F314-K333 HydrophobicContact CE1-CD 3.85Å; F314-K333 HydrophobicContact CE1-CG 3.63Å; F314-K333 HydrophobicContact CZ-CD 4.32Å; F314-K333 HydrophobicContact CZ-CG 4.2Å; F314-M374 CarbonylContact O-C 3.44Å; F314-M374 WeakPolarHBondContact O-CA 3.24Å; F314-S375 PolarHBondContact N-O 2.85Å; F314-S375 PolarHBondContact O-N 2.69Å; F314-V377 WeakPolarHBondContact CE2-O 3.28Å; F314-K378 WeakPolarHBondContact CD2-O 3.41Å; F314-K378 VanDerWaalsContact CE2-C 3.43Å; F314-G379 VanDerWaalsContact CD1-CA 3.45Å; F314-G379 VanDerWaalsContact CE2-N 3.28Å; F314-G379 VanDerWaalsContact CG-CA 3.42Å; F314-W380 HydrophobicContact CB-CE3 4.01Å; F314-W380 HydrophobicContact CB-CZ3 3.59Å; F314-W380 WeakPolarHBondContact O-CH2 3.47Å; F314-W380 WeakPolarHBondContact O-CZ3 3.33Å; F314-Y384 HydrophobicContact CD1-CE1 4.45Å; F314-Y384 HydrophobicContact CD1-CE2 4.4Å; F314-Y384 AromaticContact CD1-CZ 3.93Å; F314-Y384 AromaticContact CE1-CE1 3.81Å; F314-Y384 HydrophobicContact CE1-CE1 3.81Å; F314-Y384 HydrophobicContact CE1-CE2 4.48Å; F314-Y384 AromaticContact CE1-CZ 3.6Å; F314-Y384 VanDerWaalsContact CE1-OH 3.25Å; F314-Y384 WeakPolarHBondContact CE1-OH 3.31Å; F314-Y384 HydrophobicContact CZ-CE1 4.46Å
315V98.5Very high97.3Very high2 Ų232.1 Ų32.11%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-123.7127.5-168-176.10000110.6V331 C332 I334 I342 I372 R373 M374V315-V331 CarbonylContact O-C 3.59Å; V315-V331 WeakPolarHBondContact O-CA 3.24Å; V315-C332 PolarHBondContact N-O 2.65Å; V315-C332 PolarHBondContact O-N 2.96Å; V315-I334 HydrophobicContact CB-CD1 4.47Å; V315-I334 HydrophobicContact CG2-CD1 3.5Å; V315-I334 HydrophobicContact CG2-CG1 4.13Å; V315-I342 HydrophobicContact CG1-CG2 3.91Å; V315-I372 HydrophobicContact CG1-CG2 3.81Å; V315-R373 WeakPolarHBondContact CA-O 3.21Å; V315-M374 HydrophobicContact CB-CG 4.22Å; V315-M374 HydrophobicContact CG1-CG 3.93Å; V315-M374 HydrophobicContact CG1-SD 4.33Å; V315-M374 HydrophobicContact CG2-CE 3.51Å; V315-M374 HydrophobicContact CG2-CG 3.78Å; V315-M374 HydrophobicContact CG2-SD 3.92Å
316Q98.4Very high97.2Very high32 Ų3237.9 Ų37.915%0.1520%0.197CC..EExtended strand (participates in β ladder)trans-109.5105.4166.4-178.4-179.871.900107.9A329 V331 R373 W380Q316-A329 PolarHBondContact NE2-O 2.89Å; Q316-V331 HydrophobicContact CB-CG2 4.33Å; Q316-R373 HydrophobicContact CB-CB 4.48Å; Q316-R373 PolarHBondContact N-O 3.5Å; Q316-R373 PolarHBondContact O-N 2.85Å; Q316-W380 HydrophobicContact CB-CH2 4.18Å; Q316-W380 HydrophobicContact CB-CZ2 3.59Å
317S98.3Very high97.1Very high1 Ų142.8 Ų42.81%0.00722%0.22CC..  trans-122.6112.3171.7169.30000108.6N319 C320 N321 I342S317-N319 VanDerWaalsContact C-N 3.26Å; S317-N319 PolarHBondContact O-N 3.38Å; S317-C320 PolarHBondContact O-N 3Å; S317-C320 PolarHBondContact OG-N 3.21Å; S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.2Å; S317-N321 PolarHBondContact O-ND2 3.35Å; S317-I342 VanDerWaalsContact CB-O 3.31Å; S317-I342 WeakPolarHBondContact CB-O 3.37Å; S317-I342 PolarHBondContact OG-O 3.37Å
318P97.3Very high96.9Very high20 Ų2046.7 Ų46.713%0.1325%0.245CC..Hα-helixtrans-58.2-36.6177.4-29.439.2000113.2N321 Q322 M369P318-N321 PolarHBondContact O-N 2.72Å; P318-Q322 WeakPolarHBondContact O-CB 3.45Å; P318-Q322 PolarHBondContact O-N 2.74Å; P318-M369 HydrophobicContact CB-CE 4.33Å; P318-M369 HydrophobicContact CB-SD 3.37Å; P318-M369 WeakPolarHBondContact CB-SD 3.19Å
319N97.2Very high96.8Very high5 Ų547.9 Ų47.93%0.02726%0.259CS..Hα-helixtrans-61.9-47175.1-179-92.7000112.1S317 Q322 R323 F343 N344 M369S317-N319 VanDerWaalsContact C-N 3.26Å; S317-N319 PolarHBondContact O-N 3.38Å; N319-Q322 PolarHBondContact O-N 2.67Å; N319-R323 PolarHBondContact O-N 3.02Å; N319-R323 VanDerWaalsContact O-N 3.16Å; N319-R323 PolarHBondContact OD1-NH2 3.33Å; N319-F343 HydrophobicContact CB-CD2 3.47Å; N319-F343 VanDerWaalsContact CB-CD2 3.47Å; N319-F343 HydrophobicContact CB-CE2 3.66Å; N319-F343 HydrophobicContact CB-CG 4.37Å; N319-F343 WeakPolarHBondContact OD1-CA 3.36Å; N319-N344 PolarHBondContact OD1-N 2.91Å; N319-M369 VanDerWaalsContact CA-CE 3.43Å; N319-M369 HydrophobicContact CB-CE 3.98Å
320C95.9Very high96.7Very high2 Ų249.9 Ų49.91%0.01427%0.27CS..Hα-helixtrans-62.6-45.9175.5-173.90000111.5S317 Q322 R323 Y324S317-C320 PolarHBondContact O-N 3Å; S317-C320 PolarHBondContact OG-N 3.21Å; C320-Q322 VanDerWaalsContact C-N 3.32Å; C320-Q322 PolarHBondContact O-N 3.4Å; C320-R323 WeakPolarHBondContact O-CB 3.18Å; C320-R323 PolarHBondContact O-N 3.28Å; C320-Y324 VanDerWaalsContact O-CD2 3.25Å; C320-Y324 WeakPolarHBondContact O-CD2 3.14Å; C320-Y324 PolarHBondContact O-N 2.9Å
321N96.4Very high96.7Very high0 Ų043.8 Ų43.80%024%0.239CC..Hα-helixtrans-61-42.6-178.9-68.7-16.9000111.4S317 P318 Y324 G325 W326 P328 T330S317-N321 WeakPolarHBondContact O-CB 3.39Å; S317-N321 PolarHBondContact O-N 3.2Å; S317-N321 PolarHBondContact O-ND2 3.35Å; P318-N321 PolarHBondContact O-N 2.72Å; N321-Y324 PolarHBondContact O-N 3.48Å; N321-G325 PolarHBondContact O-N 2.82Å; N321-G325 VanDerWaalsContact O-N 3.13Å; N321-W326 HydrophobicContact CB-CB 4.32Å; N321-W326 PolarHBondContact O-N 2.91Å; N321-P328 PolarHBondContact ND2-O 2.86Å; N321-T330 PolarHBondContact ND2-N 2.79Å; N321-T330 PolarHBondContact ND2-O 2.79Å
322Q95.3Very high96.7Very high102 Ų10243.3 Ų43.348%0.47724%0.235SC..Hα-helixtrans-63-41.8176.5-177.7170.3-23.700112.4P318 N319 C320 Y324 G325 M369P318-Q322 WeakPolarHBondContact O-CB 3.45Å; P318-Q322 PolarHBondContact O-N 2.74Å; N319-Q322 PolarHBondContact O-N 2.67Å; C320-Q322 VanDerWaalsContact C-N 3.32Å; C320-Q322 PolarHBondContact O-N 3.4Å; Q322-Y324 PolarHBondContact O-N 3Å; Q322-G325 PolarHBondContact O-N 2.79Å; Q322-M369 HydrophobicContact CB-CE 4.47Å; Q322-M369 VanDerWaalsContact OE1-CE 3.31Å
323R94.6Very high96.7Very high66 Ų6648.6 Ų48.625%0.24926%0.255CS..Hα-helixtrans-55.9-39176.8-174.8-167.1-62.1133.612.8112.5N319 C320 K341 N344 E347N319-R323 PolarHBondContact O-N 3.02Å; N319-R323 VanDerWaalsContact O-N 3.16Å; N319-R323 PolarHBondContact OD1-NH2 3.33Å; C320-R323 WeakPolarHBondContact O-CB 3.18Å; C320-R323 PolarHBondContact O-N 3.28Å; R323-K341 PolarHBondContact NH1-O 2.56Å; R323-N344 VanDerWaalsContact NH2-CB 3.27Å; R323-E347 WeakPolarHBondContact CD-OE1 3.32Å; R323-E347 IonicContact CZ-OE1 2.72Å; R323-E347 IonicContact CZ-OE2 3.32Å; R323-E347 IonicContact NE-OE1 3.31Å; R323-E347 PolarHBondContact NE-OE1 2.78Å; R323-E347 IonicContact NE-OE2 3.08Å; R323-E347 PolarHBondContact NE-OE2 2.84Å; R323-E347 IonicContact NH2-OE1 3.24Å; R323-E347 IonicContact NH2-OE2 2.89Å; R323-E347 PolarHBondContact NH2-OE2 3.01Å
324Y94.1Very high96.7Very high115 Ų11548.7 Ų48.745%0.45126%0.256SS..THydrogen-bonded Turntrans-92.73.5-179.6-65.8-68.9000113.8C320 N321 Q322 W326C320-Y324 VanDerWaalsContact O-CD2 3.25Å; C320-Y324 WeakPolarHBondContact O-CD2 3.14Å; C320-Y324 PolarHBondContact O-N 2.9Å; N321-Y324 PolarHBondContact O-N 3.48Å; Q322-Y324 PolarHBondContact O-N 3Å; Y324-W326 VanDerWaalsContact C-N 3.26Å; Y324-W326 HydrophobicContact CD2-CE3 4.27Å; Y324-W326 HydrophobicContact CD2-CH2 4.02Å; Y324-W326 AromaticContact CD2-CZ3 3.79Å; Y324-W326 HydrophobicContact CD2-CZ3 3.79Å; Y324-W326 HydrophobicContact CG-CE3 4.39Å; Y324-W326 HydrophobicContact CG-CH2 4Å; Y324-W326 HydrophobicContact CG-CZ2 4.2Å; Y324-W326 HydrophobicContact CG-CZ3 4.08Å; Y324-W326 PolarHBondContact O-N 2.9Å
325G95.3Very high96.7Very high70 Ų7050.9 Ų50.972%0.72227%0.271SS*.THydrogen-bonded Turntrans68.123.5-178.100000113.9N321 Q322N321-G325 PolarHBondContact O-N 2.82Å; N321-G325 VanDerWaalsContact O-N 3.13Å; Q322-G325 PolarHBondContact O-N 2.79Å
326W96.1Very high96.7Very high120 Ų12053.8 Ų53.846%0.45529%0.29SS..  trans-88.8159.1177-61.3-25.8000111.8N321 Y324 T330 C332N321-W326 HydrophobicContact CB-CB 4.32Å; N321-W326 PolarHBondContact O-N 2.91Å; Y324-W326 VanDerWaalsContact C-N 3.26Å; Y324-W326 HydrophobicContact CD2-CE3 4.27Å; Y324-W326 HydrophobicContact CD2-CH2 4.02Å; Y324-W326 AromaticContact CD2-CZ3 3.79Å; Y324-W326 HydrophobicContact CD2-CZ3 3.79Å; Y324-W326 HydrophobicContact CG-CE3 4.39Å; Y324-W326 HydrophobicContact CG-CH2 4Å; Y324-W326 HydrophobicContact CG-CZ2 4.2Å; Y324-W326 HydrophobicContact CG-CZ3 4.08Å; Y324-W326 PolarHBondContact O-N 2.9Å; W326-T330 HydrophobicContact CB-CG2 4.23Å; W326-T330 HydrophobicContact CD2-CG2 4.43Å; W326-T330 HydrophobicContact CE3-CG2 4.2Å; W326-T330 HydrophobicContact CG-CG2 4.49Å; W326-C332 WeakPolarHBondContact CZ3-SG 3.47Å
327H96.2Very high96.4Very high134 Ų13455.2 Ų55.262%0.6231%0.313SS*.  trans-56137.3174.3-175-91.1000110.3A329 T330H327-A329 WeakPolarHBondContact ND1-CB 3.44Å; H327-A329 PolarHBondContact ND1-N 3.27Å; H327-A329 VanDerWaalsContact ND1-N 3.19Å; H327-A329 PolarHBondContact O-N 2.88Å; H327-T330 PolarHBondContact N-OG1 2.9Å; H327-T330 WeakPolarHBondContact O-CB 3.23Å; H327-T330 PolarHBondContact O-N 2.9Å; H327-T330 PolarHBondContact O-OG1 2.9Å
328P93.7Very high96.3Very high82 Ų8257.8 Ų57.853%0.53233%0.331SS..THydrogen-bonded Turntrans-56.6-27.2-174.7-29.335.9000114.7N321 T330N321-P328 PolarHBondContact ND2-O 2.86Å; P328-T330 VanDerWaalsContact C-N 3.32Å; P328-T330 PolarHBondContact O-N 2.89Å
329A95.1Very high96.3Very high49 Ų4961 Ų6141%0.40535%0.347SS..THydrogen-bonded Turntrans-83.72.6176.700000114.8Q316 H327Q316-A329 PolarHBondContact NE2-O 2.89Å; H327-A329 WeakPolarHBondContact ND1-CB 3.44Å; H327-A329 PolarHBondContact ND1-N 3.27Å; H327-A329 VanDerWaalsContact ND1-N 3.19Å; H327-A329 PolarHBondContact O-N 2.88Å
330T97Very high96.2Very high45 Ų4562.4 Ų62.428%0.27635%0.354SS..  trans-59.9141.5-179-59.20000111.3N321 W326 H327 P328N321-T330 PolarHBondContact ND2-N 2.79Å; N321-T330 PolarHBondContact ND2-O 2.79Å; W326-T330 HydrophobicContact CB-CG2 4.23Å; W326-T330 HydrophobicContact CD2-CG2 4.43Å; W326-T330 HydrophobicContact CE3-CG2 4.2Å; W326-T330 HydrophobicContact CG-CG2 4.49Å; H327-T330 PolarHBondContact N-OG1 2.9Å; H327-T330 WeakPolarHBondContact O-CB 3.23Å; H327-T330 PolarHBondContact O-N 2.9Å; H327-T330 PolarHBondContact O-OG1 2.9Å; P328-T330 VanDerWaalsContact C-N 3.32Å; P328-T330 PolarHBondContact O-N 2.89Å
331V98.1Very high96.3Very high22 Ų2265.2 Ų65.213%0.13337%0.366CS..  trans-114.6113.2-179.8-177.40000109.1F314 V315 Q316 W380F314-V331 HydrophobicContact CB-CG1 3.75Å; V315-V331 CarbonylContact O-C 3.59Å; V315-V331 WeakPolarHBondContact O-CA 3.24Å; Q316-V331 HydrophobicContact CB-CG2 4.33Å; V331-W380 WeakPolarHBondContact CB-O 3.34Å; V331-W380 HydrophobicContact CG1-CD2 4.07Å; V331-W380 HydrophobicContact CG1-CE3 3.9Å; V331-W380 HydrophobicContact CG1-CH2 3.95Å; V331-W380 HydrophobicContact CG1-CZ2 4.13Å; V331-W380 HydrophobicContact CG1-CZ3 3.82Å; V331-W380 HydrophobicContact CG2-CD2 3.97Å; V331-W380 HydrophobicContact CG2-CG 4.28Å; V331-W380 HydrophobicContact CG2-CZ2 3.85Å; V331-W380 VanDerWaalsContact CG2-O 3.28Å; V331-W380 WeakPolarHBondContact CG2-O 3.27Å
332C97.6Very high96.4Very high16 Ų1665.2 Ų65.211%0.10837%0.366CS..EExtended strand (participates in β ladder)trans-88.4126.6-179.3-60.90000110.6F314 V315 W326 L340F314-C332 CarbonylContact C-O 3.47Å; F314-C332 WeakPolarHBondContact CA-O 3.34Å; V315-C332 PolarHBondContact N-O 2.65Å; V315-C332 PolarHBondContact O-N 2.96Å; W326-C332 WeakPolarHBondContact CZ3-SG 3.47Å; C332-L340 HydrophobicContact CB-CD2 3.92Å
333K98.2Very high96.5Very high125 Ų12560.4 Ų60.454%0.54334%0.344SS..EExtended strand (participates in β ladder)trans-82.9128.1172.1-177.7-178.9-179.5-177.20110.1A312 F314A312-K333 HydrophobicContact CB-CD 4.48Å; A312-K333 HydrophobicContact CB-CG 4.08Å; F314-K333 HydrophobicContact CD1-CB 3.96Å; F314-K333 HydrophobicContact CD1-CG 4.06Å; F314-K333 HydrophobicContact CE1-CB 3.92Å; F314-K333 HydrophobicContact CE1-CD 3.85Å; F314-K333 HydrophobicContact CE1-CG 3.63Å; F314-K333 HydrophobicContact CZ-CD 4.32Å; F314-K333 HydrophobicContact CZ-CG 4.2Å
334I98.4Very high96.6Very high5 Ų557.7 Ų57.73%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-108.9107.4170.2-51.3176000107.6A305 C307 A312 I313 V315 C338 L340A305-I334 HydrophobicContact CB-CD1 3.93Å; C307-I334 HydrophobicContact CB-CG2 3.86Å; A312-I334 WeakPolarHBondContact CA-O 3.38Å; I313-I334 HydrophobicContact CD1-CB 4.28Å; I313-I334 HydrophobicContact CD1-CD1 4.2Å; I313-I334 HydrophobicContact CG1-CB 3.71Å; I313-I334 HydrophobicContact CG1-CD1 4.24Å; I313-I334 HydrophobicContact CG1-CG1 4.34Å; I313-I334 HydrophobicContact CG1-CG2 4.4Å; I313-I334 PolarHBondContact N-O 3.43Å; I313-I334 PolarHBondContact O-N 3.34Å; V315-I334 HydrophobicContact CB-CD1 4.47Å; V315-I334 HydrophobicContact CG2-CD1 3.5Å; V315-I334 HydrophobicContact CG2-CG1 4.13Å; I334-C338 HydrophobicContact CG2-CB 3.9Å; I334-C338 WeakPolarHBondContact CG2-O 3.19Å; I334-L340 HydrophobicContact CD1-CB 3.6Å; I334-L340 HydrophobicContact CD1-CD2 4.08Å; I334-L340 HydrophobicContact CD1-CG 4.49Å; I334-L340 HydrophobicContact CG1-CB 4Å; I334-L340 HydrophobicContact CG1-CD2 4.13Å
335P98.3Very high96.6Very high56 Ų5652.4 Ų52.436%0.36431%0.314SS..  trans-66162.5176.8-2133.5000113.2C307 G337 C338C307-P335 VanDerWaalsContact CB-O 3.28Å; C307-P335 WeakPolarHBondContact CB-O 3.22Å; P335-G337 PolarHBondContact O-N 3.22Å; P335-C338 VanDerWaalsContact O-CB 3.32Å; P335-C338 WeakPolarHBondContact O-CB 3.34Å; P335-C338 PolarHBondContact O-N 3.4Å
336P98.1Very high96.4Very high63 Ų6354 Ų5441%0.40930%0.302SS..THydrogen-bonded Turntrans-50.1130.3173.4-29.637.7000113S309 D310 C338S309-P336 WeakPolarHBondContact O-CB 3.13Å; D310-P336 VanDerWaalsContact O-CG 3.23Å; D310-P336 WeakPolarHBondContact O-CG 3.45Å; P336-C338 PolarHBondContact O-N 2.85Å
337G93Very high96.3Very high61 Ų6151.4 Ų51.463%0.62930%0.295SS*.THydrogen-bonded Turntrans77.3-3.5-179.600000115.3C307 P335C307-G337 WeakPolarHBondContact O-CA 3.27Å; C307-G337 PolarHBondContact O-N 3.13Å; P335-G337 PolarHBondContact O-N 3.22Å
338C96.8Very high96.3Very high56 Ų5645 Ų4538%0.37827%0.266SS..  trans-88.9158.7173.8-61.80000111.6E306 C307 I334 P335 P336E306-C338 WeakPolarHBondContact CA-O 3.25Å; C307-C338 PolarHBondContact N-O 3.06Å; I334-C338 HydrophobicContact CG2-CB 3.9Å; I334-C338 WeakPolarHBondContact CG2-O 3.19Å; P335-C338 VanDerWaalsContact O-CB 3.32Å; P335-C338 WeakPolarHBondContact O-CB 3.34Å; P335-C338 PolarHBondContact O-N 3.4Å; P336-C338 PolarHBondContact O-N 2.85Å
339N96.1Very high96.3Very high88 Ų8841.4 Ų41.447%0.47124%0.242SC..EExtended strand (participates in β ladder)trans-130157.5171.267.186.6000111.1A305 E306A305-N339 CarbonylContact O-C 3.53Å; A305-N339 WeakPolarHBondContact O-CA 3.47Å; E306-N339 HydrophobicContact CB-CB 3.86Å; E306-N339 HydrophobicContact CG-CB 4.11Å
340L96.6Very high96.2Very high34 Ų3442 Ų4218%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-140.3138.4178.7-178.763.9000109.8F304 A305 C332 I334 I342F304-L340 VanDerWaalsContact CA-O 3.3Å; F304-L340 WeakPolarHBondContact CA-O 3.42Å; A305-L340 PolarHBondContact N-O 3.01Å; A305-L340 PolarHBondContact O-N 3.19Å; C332-L340 HydrophobicContact CB-CD2 3.92Å; I334-L340 HydrophobicContact CD1-CB 3.6Å; I334-L340 HydrophobicContact CD1-CD2 4.08Å; I334-L340 HydrophobicContact CD1-CG 4.49Å; I334-L340 HydrophobicContact CG1-CB 4Å; I334-L340 HydrophobicContact CG1-CD2 4.13Å; L340-I342 HydrophobicContact CB-CG2 4.38Å; L340-I342 HydrophobicContact CD2-CG2 4.33Å; L340-I342 HydrophobicContact CG-CG2 4.28Å; L340-I342 PolarHBondContact O-N 2.94Å
341K97.5Very high96Very high61 Ų6140.9 Ų40.927%0.26524%0.24SC..EExtended strand (participates in β ladder)trans-76.1101.1169.1-173.7-175.8-60.3-174.50109.3E302 V303 F304 R323E302-K341 HydrophobicContact CB-CD 4.5Å; E302-K341 VanDerWaalsContact CD-CE 3.46Å; E302-K341 WeakPolarHBondContact OE1-CE 3.48Å; E302-K341 IonicContact OE1-NZ 2.72Å; E302-K341 PolarHBondContact OE1-NZ 2.91Å; E302-K341 WeakPolarHBondContact OE2-CE 3.31Å; E302-K341 IonicContact OE2-NZ 3.1Å; E302-K341 PolarHBondContact OE2-NZ 3.48Å; V303-K341 CarbonylContact O-C 3.16Å; F304-K341 HydrophobicContact CD1-CB 3.81Å; F304-K341 HydrophobicContact CD1-CG 4.28Å; F304-K341 HydrophobicContact CE1-CB 3.59Å; F304-K341 HydrophobicContact CE1-CD 4.45Å; F304-K341 HydrophobicContact CE1-CG 3.91Å; F304-K341 HydrophobicContact CZ-CB 4.28Å; F304-K341 HydrophobicContact CZ-CD 4.36Å; F304-K341 HydrophobicContact CZ-CG 4.09Å; R323-K341 PolarHBondContact NH1-O 2.56Å
342I97.9Very high95.8Very high0 Ų039.9 Ų39.90%023%0.234CC..EExtended strand (participates in β ladder)trans-88.4-19-173.563.8175.4000112.9L296 V303 A305 V315 S317 L340 I372L296-I342 HydrophobicContact CD2-CD1 4.13Å; V303-I342 HydrophobicContact CB-CG1 4.02Å; V303-I342 HydrophobicContact CG1-CD1 3.79Å; V303-I342 HydrophobicContact CG1-CG1 3.8Å; V303-I342 WeakPolarHBondContact O-CG1 3.13Å; V303-I342 PolarHBondContact O-N 3.16Å; A305-I342 HydrophobicContact CB-CD1 4.06Å; A305-I342 HydrophobicContact CB-CG2 3.8Å; V315-I342 HydrophobicContact CG1-CG2 3.91Å; S317-I342 VanDerWaalsContact CB-O 3.31Å; S317-I342 WeakPolarHBondContact CB-O 3.37Å; S317-I342 PolarHBondContact OG-O 3.37Å; L340-I342 HydrophobicContact CB-CG2 4.38Å; L340-I342 HydrophobicContact CD2-CG2 4.33Å; L340-I342 HydrophobicContact CG-CG2 4.28Å; L340-I342 PolarHBondContact O-N 2.94Å; I342-I372 HydrophobicContact CB-CD1 4.26Å; I342-I372 HydrophobicContact CD1-CD1 3.96Å; I342-I372 HydrophobicContact CD1-CG2 4.39Å; I342-I372 HydrophobicContact CG1-CD1 4.01Å
343F97.9Very high95.5Very high0 Ų041.2 Ų41.20%025%0.246CC..EExtended strand (participates in β ladder)trans-151.8147.7177.2-161.5-94000111.9E302 V303 N319 N345 F348 M369 I372 L400 P403E302-F343 WeakPolarHBondContact CA-O 3.42Å; V303-F343 HydrophobicContact CB-CB 3.85Å; V303-F343 HydrophobicContact CG2-CB 3.98Å; V303-F343 PolarHBondContact N-O 2.99Å; V303-F343 PolarHBondContact O-N 3.26Å; V303-F343 VanDerWaalsContact O-N 3.15Å; N319-F343 HydrophobicContact CB-CD2 3.47Å; N319-F343 VanDerWaalsContact CB-CD2 3.47Å; N319-F343 HydrophobicContact CB-CE2 3.66Å; N319-F343 HydrophobicContact CB-CG 4.37Å; N319-F343 WeakPolarHBondContact OD1-CA 3.36Å; F343-N345 VanDerWaalsContact CE1-OD1 3.23Å; F343-N345 WeakPolarHBondContact CE1-OD1 3.33Å; F343-F348 HydrophobicContact CE1-CB 3.98Å; F343-F348 HydrophobicContact CE1-CG 4.42Å; F343-F348 HydrophobicContact CZ-CB 3.63Å; F343-F348 HydrophobicContact CZ-CD1 4.47Å; F343-F348 AromaticContact CZ-CD2 3.96Å; F343-F348 HydrophobicContact CZ-CD2 3.96Å; F343-F348 AromaticContact CZ-CG 3.76Å; F343-F348 HydrophobicContact CZ-CG 3.76Å; F343-M369 WeakPolarHBondContact CE2-O 3.49Å; F343-I372 HydrophobicContact CB-CD1 4.13Å; F343-I372 HydrophobicContact CD2-CD1 4.28Å; F343-L400 HydrophobicContact CB-CD1 3.78Å; F343-L400 HydrophobicContact CD1-CD1 3.54Å; F343-L400 HydrophobicContact CD2-CD1 3.28Å; F343-L400 HydrophobicContact CE1-CD1 3.86Å; F343-L400 HydrophobicContact CE2-CD1 3.62Å; F343-L400 HydrophobicContact CG-CD1 3.23Å; F343-L400 HydrophobicContact CZ-CD1 3.89Å; F343-P403 HydrophobicContact CE1-CB 4.36Å; F343-P403 HydrophobicContact CE1-CG 3.55Å; F343-P403 HydrophobicContact CZ-CB 4Å; F343-P403 HydrophobicContact CZ-CG 3.67Å
344N95.9Very high95.3Very high10 Ų1040.9 Ų40.95%0.05325%0.246CC..EExtended strand (participates in β ladder)trans-136.3125.8170175.1-60000110E302 N319 R323 Q346 E347 F348E302-N344 PolarHBondContact OE1-ND2 3.04Å; N319-N344 PolarHBondContact OD1-N 2.91Å; R323-N344 VanDerWaalsContact NH2-CB 3.27Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.15Å; N344-Q346 VanDerWaalsContact OD1-CB 3.32Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.45Å; N344-Q346 PolarHBondContact OD1-N 2.81Å; N344-E347 HydrophobicContact CB-CB 4.3Å; N344-E347 HydrophobicContact CB-CG 4.13Å; N344-E347 PolarHBondContact OD1-N 3.43Å; N344-F348 PolarHBondContact O-N 2.88Å; N344-F348 VanDerWaalsContact O-N 3.17Å
345N93.7Very high95Very high4 Ų440.9 Ų40.92%0.02125%0.247CC..Hα-helixtrans-67.8-33-177.4-79.9-14.1000113.6L135 Y298 G301 F343 F348 A349L135-N345 HydrophobicContact CD1-CB 3.82Å; L135-N345 HydrophobicContact CD2-CB 4.28Å; Y298-N345 PolarHBondContact OH-ND2 3.3Å; Y298-N345 VanDerWaalsContact OH-ND2 3.08Å; G301-N345 VanDerWaalsContact O-CB 3.25Å; G301-N345 WeakPolarHBondContact O-CB 3.49Å; G301-N345 VanDerWaalsContact O-CG 3.3Å; G301-N345 PolarHBondContact O-N 3.17Å; F343-N345 VanDerWaalsContact CE1-OD1 3.23Å; F343-N345 WeakPolarHBondContact CE1-OD1 3.33Å; N345-F348 PolarHBondContact O-N 3.08Å; N345-A349 VanDerWaalsContact O-CB 3.31Å; N345-A349 WeakPolarHBondContact O-CB 3.46Å; N345-A349 PolarHBondContact O-N 2.89Å
346Q92.7Very high94.6Very high102 Ų10238.4 Ų38.448%0.47723%0.231SC..Hα-helixtrans-68.6-41.9178.3-65-179.2-22.400111.4P133 L135 N344 F348 A349 A350P133-Q346 HydrophobicContact CG-CG 4.13Å; L135-Q346 HydrophobicContact CD2-CB 4.36Å; L135-Q346 HydrophobicContact CD2-CG 3.68Å; N344-Q346 WeakPolarHBondContact OD1-CA 3.15Å; N344-Q346 VanDerWaalsContact OD1-CB 3.32Å; N344-Q346 WeakPolarHBondContact OD1-CB 3.45Å; N344-Q346 PolarHBondContact OD1-N 2.81Å; Q346-F348 VanDerWaalsContact C-N 3.32Å; Q346-F348 PolarHBondContact O-N 3.39Å; Q346-A349 WeakPolarHBondContact O-CB 3.35Å; Q346-A349 PolarHBondContact O-N 3.28Å; Q346-A350 PolarHBondContact O-N 3.49Å
347E94.3Very high94.1Very high66 Ų6641.8 Ų41.831%0.30825%0.245SC..Hα-helixtrans-63.1-41.5175.4-68.8171.3-175.800111.1R323 N344 L351R323-E347 WeakPolarHBondContact CD-OE1 3.32Å; R323-E347 IonicContact CZ-OE1 2.72Å; R323-E347 IonicContact CZ-OE2 3.32Å; R323-E347 IonicContact NE-OE1 3.31Å; R323-E347 PolarHBondContact NE-OE1 2.78Å; R323-E347 IonicContact NE-OE2 3.08Å; R323-E347 PolarHBondContact NE-OE2 2.84Å; R323-E347 IonicContact NH2-OE1 3.24Å; R323-E347 IonicContact NH2-OE2 2.89Å; R323-E347 PolarHBondContact NH2-OE2 3.01Å; N344-E347 HydrophobicContact CB-CB 4.3Å; N344-E347 HydrophobicContact CB-CG 4.13Å; N344-E347 PolarHBondContact OD1-N 3.43Å; E347-L351 WeakPolarHBondContact O-CB 3.12Å; E347-L351 PolarHBondContact O-N 2.97Å; E347-L351 VanDerWaalsContact O-N 3.11Å
348F95.8Very high93.9Very high1 Ų144.8 Ų44.80%0.00424%0.243CC..Hα-helixtrans-64.5-43.3173.7179-100.5000112.2F343 N344 N345 Q346 A350 L351 L352 L366 M369 P403F343-F348 HydrophobicContact CE1-CB 3.98Å; F343-F348 HydrophobicContact CE1-CG 4.42Å; F343-F348 HydrophobicContact CZ-CB 3.63Å; F343-F348 HydrophobicContact CZ-CD1 4.47Å; F343-F348 AromaticContact CZ-CD2 3.96Å; F343-F348 HydrophobicContact CZ-CD2 3.96Å; F343-F348 AromaticContact CZ-CG 3.76Å; F343-F348 HydrophobicContact CZ-CG 3.76Å; N344-F348 PolarHBondContact O-N 2.88Å; N344-F348 VanDerWaalsContact O-N 3.17Å; N345-F348 PolarHBondContact O-N 3.08Å; Q346-F348 VanDerWaalsContact C-N 3.32Å; Q346-F348 PolarHBondContact O-N 3.39Å; F348-A350 PolarHBondContact O-N 3.49Å; F348-L351 PolarHBondContact O-N 3.4Å; F348-L352 HydrophobicContact CE1-CD2 4.04Å; F348-L352 HydrophobicContact CZ-CD2 4.48Å; F348-L352 WeakPolarHBondContact O-CB 3.23Å; F348-L352 PolarHBondContact O-N 2.6Å; F348-L366 HydrophobicContact CE2-CB 4.31Å; F348-M369 HydrophobicContact CD2-CB 4.1Å; F348-M369 HydrophobicContact CE2-CB 3.99Å; F348-P403 HydrophobicContact CD1-CB 3.94Å; F348-P403 HydrophobicContact CE1-CB 3.71Å; F348-P403 HydrophobicContact CG-CB 4.47Å; F348-P403 HydrophobicContact CZ-CB 4.05Å
349A92.6Very high93.4Very high5 Ų543.5 Ų43.54%0.04124%0.239CC..Hα-helixtrans-57.8-46.8177.300000112L135 N345 Q346 L352 A353 W406L135-A349 HydrophobicContact CD2-CB 4.41Å; N345-A349 VanDerWaalsContact O-CB 3.31Å; N345-A349 WeakPolarHBondContact O-CB 3.46Å; N345-A349 PolarHBondContact O-N 2.89Å; Q346-A349 WeakPolarHBondContact O-CB 3.35Å; Q346-A349 PolarHBondContact O-N 3.28Å; A349-L352 PolarHBondContact O-N 3.37Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 3.05Å; A349-W406 HydrophobicContact CB-CH2 3.49Å; A349-W406 VanDerWaalsContact CB-CH2 3.49Å; A349-W406 HydrophobicContact CB-CZ3 3.48Å; A349-W406 VanDerWaalsContact CB-CZ3 3.48Å
350A93Very high93.1Very high63 Ų6341.5 Ų41.552%0.52123%0.226SC..Hα-helixtrans-62-43.9178.200000111.5Q346 F348 A353 Q354Q346-A350 PolarHBondContact O-N 3.49Å; F348-A350 PolarHBondContact O-N 3.49Å; A350-A353 PolarHBondContact O-N 2.83Å; A350-Q354 WeakPolarHBondContact O-CB 3.19Å; A350-Q354 PolarHBondContact O-N 3.09Å
351L94.1Very high92.7Very high21 Ų2144.8 Ų44.811%0.1124%0.241CC..Hα-helixtrans-64.9-41.7176.9-178.161.6000112.2E347 F348 Q354 S355 L366 M369E347-L351 WeakPolarHBondContact O-CB 3.12Å; E347-L351 PolarHBondContact O-N 2.97Å; E347-L351 VanDerWaalsContact O-N 3.11Å; F348-L351 PolarHBondContact O-N 3.4Å; L351-Q354 PolarHBondContact O-N 3.01Å; L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 3.07Å; L351-S355 PolarHBondContact O-OG 3.45Å; L351-L366 HydrophobicContact CD2-CD2 3.59Å; L351-L366 HydrophobicContact CG-CD2 3.81Å; L351-M369 HydrophobicContact CD2-CE 3.64Å; L351-M369 HydrophobicContact CD2-CG 4.28Å; L351-M369 HydrophobicContact CD2-SD 4.39Å
352L94.1Very high92.5Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-61.3-50.1177.1178.456.6000110.6V138 F348 A349 Q354 S355 V356 V363 L366 W406 L407 V410V138-L352 HydrophobicContact CG1-CG 4.41Å; V138-L352 HydrophobicContact CG2-CB 4.49Å; V138-L352 HydrophobicContact CG2-CD2 3.98Å; V138-L352 HydrophobicContact CG2-CG 3.98Å; F348-L352 HydrophobicContact CE1-CD2 4.04Å; F348-L352 HydrophobicContact CZ-CD2 4.48Å; F348-L352 WeakPolarHBondContact O-CB 3.23Å; F348-L352 PolarHBondContact O-N 2.6Å; A349-L352 PolarHBondContact O-N 3.37Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.83Å; L352-S355 PolarHBondContact O-N 3.28Å; L352-S355 VanDerWaalsContact O-N 3.09Å; L352-V356 WeakPolarHBondContact O-CG2 3.41Å; L352-V356 PolarHBondContact O-N 2.94Å; L352-V356 VanDerWaalsContact O-N 3.11Å; L352-V363 HydrophobicContact CD1-CG1 3.95Å; L352-L366 HydrophobicContact CB-CD1 4.19Å; L352-L366 HydrophobicContact CD1-CD1 3.72Å; L352-W406 HydrophobicContact CD2-CD2 4.02Å; L352-W406 HydrophobicContact CD2-CE3 4.39Å; L352-W406 HydrophobicContact CD2-CG 4.09Å; L352-L407 HydrophobicContact CD1-CD1 3.6Å; L352-V410 HydrophobicContact CD1-CB 4.47Å; L352-V410 HydrophobicContact CD1-CG1 4.24Å; L352-V410 HydrophobicContact CD1-CG2 4.45Å; L352-V410 HydrophobicContact CD2-CG2 4.13Å; L352-V410 HydrophobicContact CG-CG2 4.45Å
353A91.4Very high92.2Very high44 Ų4443 Ų4336%0.36424%0.238SC..Hα-helixtrans-58.2-39.8176.900000112.6V138 A349 A350V138-A353 HydrophobicContact CG2-CB 4.35Å; A349-A353 WeakPolarHBondContact O-CB 3.33Å; A349-A353 PolarHBondContact O-N 3.05Å; A350-A353 PolarHBondContact O-N 2.83Å
354Q92.2Very high91.9Very high119 Ų11948.7 Ų48.756%0.55626%0.26SS*.Hα-helixtrans-67.4-39.7175.6-173.2-1788.200112.3A350 L351 L352 V356 N357A350-Q354 WeakPolarHBondContact O-CB 3.19Å; A350-Q354 PolarHBondContact O-N 3.09Å; L351-Q354 PolarHBondContact O-N 3.01Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 PolarHBondContact O-N 2.83Å; Q354-V356 PolarHBondContact O-N 3.44Å; Q354-N357 PolarHBondContact O-N 3.11Å
355S92.7Very high91.7Very high4 Ų451.3 Ų51.33%0.02827%0.272CS..Hα-helixtrans-73.6-25.5-174.2-570000112.9L351 L352 N357 Q358 G359 V363L351-S355 WeakPolarHBondContact O-CB 3.21Å; L351-S355 PolarHBondContact O-N 3.07Å; L351-S355 PolarHBondContact O-OG 3.45Å; L352-S355 PolarHBondContact O-N 3.28Å; L352-S355 VanDerWaalsContact O-N 3.09Å; S355-N357 PolarHBondContact O-N 3.28Å; S355-Q358 WeakPolarHBondContact O-CA 3.42Å; S355-Q358 WeakPolarHBondContact O-CB 3.37Å; S355-Q358 PolarHBondContact O-N 3.5Å; S355-G359 PolarHBondContact O-N 2.97Å; S355-V363 WeakPolarHBondContact O-CG2 3.38Å
356V90.4Very high91.8Very high5 Ų551.7 Ų51.73%0.0327%0.274CS..Hα-helixtrans-54.8-38.9173.3170.10000111.5V138 V140 P141 L352 Q354 Q358 G359 V363 V410 M414V138-V356 HydrophobicContact CG1-CG2 3.69Å; V140-V356 HydrophobicContact CG1-CG1 4.49Å; P141-V356 VanDerWaalsContact CD-CG1 3.48Å; P141-V356 HydrophobicContact CG-CG1 4.46Å; L352-V356 WeakPolarHBondContact O-CG2 3.41Å; L352-V356 PolarHBondContact O-N 2.94Å; L352-V356 VanDerWaalsContact O-N 3.11Å; Q354-V356 PolarHBondContact O-N 3.44Å; V356-Q358 PolarHBondContact O-N 3.13Å; V356-G359 PolarHBondContact O-N 3.18Å; V356-V363 HydrophobicContact CG2-CG2 4.2Å; V356-V410 HydrophobicContact CG2-CG1 3.65Å; V356-M414 HydrophobicContact CG1-CE 4.31Å; V356-M414 HydrophobicContact CG1-SD 4.4Å; V356-M414 HydrophobicContact CG2-SD 4.23Å; V356-M414 WeakPolarHBondContact O-CE 3.36Å
357N87Confident91.8Very high134 Ų13448.9 Ų48.972%0.71726%0.263SS*.THydrogen-bonded Turntrans-73.1-10.7178.4-60.4-50.4000113.8Q354 S355Q354-N357 PolarHBondContact O-N 3.11Å; S355-N357 PolarHBondContact O-N 3.28Å
358Q88.9Confident91.8Very high123 Ų12353.6 Ų53.658%0.57528%0.279SS*.THydrogen-bonded Turntrans-95.5-5.7178.6-59.4174.821.500112.3S355 V356 A362S355-Q358 WeakPolarHBondContact O-CA 3.42Å; S355-Q358 WeakPolarHBondContact O-CB 3.37Å; S355-Q358 PolarHBondContact O-N 3.5Å; V356-Q358 PolarHBondContact O-N 3.13Å; Q358-A362 HydrophobicContact CB-CB 3.52Å
359G87.6Confident91.8Very high29 Ų2954.4 Ų54.430%0.29928%0.282SS..  trans96178.3176.800000114.5S355 V356 E361 A362 V363 M414S355-G359 PolarHBondContact O-N 2.97Å; V356-G359 PolarHBondContact O-N 3.18Å; G359-E361 PolarHBondContact O-N 2.85Å; G359-A362 PolarHBondContact O-N 3.43Å; G359-V363 PolarHBondContact O-N 3.15Å; G359-M414 VanDerWaalsContact C-CE 3.48Å
360F88.6Confident92Very high46 Ų4654.1 Ų54.120%0.20228%0.28CS..Hα-helixtrans-56.1-46.9-170-177.2-83.7000113.4A362 V363 Y364 L411 M414 G415 P417F360-A362 VanDerWaalsContact C-N 3.35Å; F360-A362 PolarHBondContact O-N 2.87Å; F360-V363 PolarHBondContact O-N 3.11Å; F360-Y364 HydrophobicContact CE1-CD2 4.32Å; F360-Y364 HydrophobicContact CE1-CG 4.4Å; F360-Y364 WeakPolarHBondContact O-CB 3.25Å; F360-Y364 PolarHBondContact O-N 2.97Å; F360-L411 HydrophobicContact CD2-CD2 4.09Å; F360-L411 HydrophobicContact CE2-CD2 3.83Å; F360-L411 HydrophobicContact CZ-CD2 4.08Å; F360-M414 HydrophobicContact CD2-CB 4.22Å; F360-G415 VanDerWaalsContact CD2-O 3.31Å; F360-G415 WeakPolarHBondContact CD2-O 3.32Å; F360-G415 WeakPolarHBondContact CE2-O 3.37Å; F360-P417 HydrophobicContact CD1-CB 4.42Å; F360-P417 HydrophobicContact CD1-CG 3.69Å; F360-P417 HydrophobicContact CE1-CG 3.62Å; F360-P417 HydrophobicContact CG-CG 4.46Å; F360-P417 HydrophobicContact CZ-CG 4.33Å
361E89.5Confident92.2Very high104 Ų10452.4 Ų52.449%0.48626%0.263SS..Hα-helixtrans-63.3-40.3-175.8-176.157.6-151.100112G359 V363 Y364 Q365G359-E361 PolarHBondContact O-N 2.85Å; E361-V363 VanDerWaalsContact C-N 3.33Å; E361-V363 PolarHBondContact O-N 2.83Å; E361-Y364 PolarHBondContact O-N 3.46Å; E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.48Å; E361-Q365 PolarHBondContact O-N 3.25Å; E361-Q365 PolarHBondContact OE1-NE2 3.21Å
362A91.4Very high92.4Very high24 Ų2451.4 Ų51.420%0.19826%0.258CS..Hα-helixtrans-61.7-43.317800000111.4Q358 G359 F360Q358-A362 HydrophobicContact CB-CB 3.52Å; G359-A362 PolarHBondContact O-N 3.43Å; F360-A362 VanDerWaalsContact C-N 3.35Å; F360-A362 PolarHBondContact O-N 2.87Å
363V92.5Very high92.6Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-67.3-42.8175.3179.40000110.9L352 S355 V356 G359 F360 E361 Q365 L366 L407 V410 L411 M414L352-V363 HydrophobicContact CD1-CG1 3.95Å; S355-V363 WeakPolarHBondContact O-CG2 3.38Å; V356-V363 HydrophobicContact CG2-CG2 4.2Å; G359-V363 PolarHBondContact O-N 3.15Å; F360-V363 PolarHBondContact O-N 3.11Å; E361-V363 VanDerWaalsContact C-N 3.33Å; E361-V363 PolarHBondContact O-N 2.83Å; V363-Q365 VanDerWaalsContact C-N 3.29Å; V363-Q365 PolarHBondContact O-N 3.42Å; V363-L366 WeakPolarHBondContact O-CB 3.23Å; V363-L366 PolarHBondContact O-N 2.86Å; V363-L407 HydrophobicContact CG1-CD1 3.42Å; V363-L407 VanDerWaalsContact CG1-CD1 3.42Å; V363-L407 WeakPolarHBondContact O-CD1 3.35Å; V363-V410 HydrophobicContact CG1-CG1 4.01Å; V363-L411 HydrophobicContact CB-CD2 3.96Å; V363-L411 HydrophobicContact CG1-CD2 3.6Å; V363-L411 HydrophobicContact CG1-CG 3.84Å; V363-M414 HydrophobicContact CB-SD 3.96Å; V363-M414 HydrophobicContact CG1-SD 4.17Å; V363-M414 HydrophobicContact CG2-CE 4.02Å; V363-M414 HydrophobicContact CG2-SD 3.53Å; V363-M414 VanDerWaalsContact CG2-SD 3.53Å
364Y91.3Very high93Very high118 Ų11853.6 Ų53.646%0.46326%0.257SS..Hα-helixtrans-59.5-38.6178.3-175.1-99.3000112.4F360 E361 L366 T367 L411F360-Y364 HydrophobicContact CE1-CD2 4.32Å; F360-Y364 HydrophobicContact CE1-CG 4.4Å; F360-Y364 WeakPolarHBondContact O-CB 3.25Å; F360-Y364 PolarHBondContact O-N 2.97Å; E361-Y364 PolarHBondContact O-N 3.46Å; Y364-L366 PolarHBondContact O-N 2.97Å; Y364-T367 WeakPolarHBondContact O-CB 3.33Å; Y364-T367 WeakPolarHBondContact O-CG2 3.45Å; Y364-T367 PolarHBondContact O-N 3.39Å; Y364-T367 VanDerWaalsContact O-N 3.11Å; Y364-T367 PolarHBondContact O-OG1 2.7Å; Y364-L411 HydrophobicContact CD2-CD1 4.27Å
365Q92.8Very high93.3Very high66 Ų6648 Ų4831%0.30823%0.231SC..Hα-helixtrans-62.9-22.7175.3-69.1-65.2-27.100113.4E361 V363 T367 R368E361-Q365 VanDerWaalsContact O-CG 3.31Å; E361-Q365 WeakPolarHBondContact O-CG 3.48Å; E361-Q365 PolarHBondContact O-N 3.25Å; E361-Q365 PolarHBondContact OE1-NE2 3.21Å; V363-Q365 VanDerWaalsContact C-N 3.29Å; V363-Q365 PolarHBondContact O-N 3.42Å; Q365-T367 PolarHBondContact O-N 3.33Å; Q365-R368 WeakPolarHBondContact O-CB 3.36Å; Q365-R368 PolarHBondContact O-N 3.5Å; Q365-R368 VanDerWaalsContact O-N 3.13Å
366L94.1Very high93.6Very high12 Ų1247.9 Ų47.96%0.06323%0.23CC..G310 helixtrans-66.4-13.5175.3-59.6-179.5000113.3F348 L351 L352 V363 Y364 R368 M369 L407F348-L366 HydrophobicContact CE2-CB 4.31Å; L351-L366 HydrophobicContact CD2-CD2 3.59Å; L351-L366 HydrophobicContact CG-CD2 3.81Å; L352-L366 HydrophobicContact CB-CD1 4.19Å; L352-L366 HydrophobicContact CD1-CD1 3.72Å; V363-L366 WeakPolarHBondContact O-CB 3.23Å; V363-L366 PolarHBondContact O-N 2.86Å; Y364-L366 PolarHBondContact O-N 2.97Å; L366-R368 PolarHBondContact O-N 2.9Å; L366-R368 VanDerWaalsContact O-N 3.15Å; L366-M369 HydrophobicContact CB-CG 4.45Å; L366-M369 HydrophobicContact CD2-CG 3.87Å; L366-M369 WeakPolarHBondContact O-CA 3.29Å; L366-M369 VanDerWaalsContact O-CB 3.24Å; L366-M369 WeakPolarHBondContact O-CB 3.29Å; L366-M369 PolarHBondContact O-N 3.03Å; L366-L407 HydrophobicContact CB-CD1 3.96Å; L366-L407 HydrophobicContact CB-CD2 4.2Å; L366-L407 HydrophobicContact CD1-CD1 4.35Å
367T94.1Very high93.9Very high42 Ų4249 Ų4926%0.25824%0.237SC..G310 helixtrans-52.1-35.8168.851.70000111.5Y364 Q365 M369 C370 L407Y364-T367 WeakPolarHBondContact O-CB 3.33Å; Y364-T367 WeakPolarHBondContact O-CG2 3.45Å; Y364-T367 PolarHBondContact O-N 3.39Å; Y364-T367 VanDerWaalsContact O-N 3.11Å; Y364-T367 PolarHBondContact O-OG1 2.7Å; Q365-T367 PolarHBondContact O-N 3.33Å; T367-M369 VanDerWaalsContact C-N 3.3Å; T367-M369 PolarHBondContact O-N 3.33Å; T367-C370 PolarHBondContact O-N 3.26Å; T367-L407 HydrophobicContact CG2-CD2 3.54Å; T367-L407 VanDerWaalsContact N-CD2 3.32Å
368R93.9Very high94.5Very high166 Ų16646.5 Ų46.563%0.62622%0.219SC*.G310 helixtrans-66.7-30176.4-61.1178.3178.3177.72.6112.5Q365 L366 C370 T371Q365-R368 WeakPolarHBondContact O-CB 3.36Å; Q365-R368 PolarHBondContact O-N 3.5Å; Q365-R368 VanDerWaalsContact O-N 3.13Å; L366-R368 PolarHBondContact O-N 2.9Å; L366-R368 VanDerWaalsContact O-N 3.15Å; R368-C370 VanDerWaalsContact C-N 3.26Å; R368-C370 PolarHBondContact O-N 3.35Å; R368-T371 PolarHBondContact O-N 2.74Å
369M95Very high94.8Very high17 Ų1741 Ų418%0.08420%0.195CC..G310 helixtrans-66.9-30.8177-60.9-67.1-72.400111.7P318 N319 Q322 F343 F348 L351 L366 T367 T371P318-M369 HydrophobicContact CB-CE 4.33Å; P318-M369 HydrophobicContact CB-SD 3.37Å; P318-M369 WeakPolarHBondContact CB-SD 3.19Å; N319-M369 VanDerWaalsContact CA-CE 3.43Å; N319-M369 HydrophobicContact CB-CE 3.98Å; Q322-M369 HydrophobicContact CB-CE 4.47Å; Q322-M369 VanDerWaalsContact OE1-CE 3.31Å; F343-M369 WeakPolarHBondContact CE2-O 3.49Å; F348-M369 HydrophobicContact CD2-CB 4.1Å; F348-M369 HydrophobicContact CE2-CB 3.99Å; L351-M369 HydrophobicContact CD2-CE 3.64Å; L351-M369 HydrophobicContact CD2-CG 4.28Å; L351-M369 HydrophobicContact CD2-SD 4.39Å; L366-M369 HydrophobicContact CB-CG 4.45Å; L366-M369 HydrophobicContact CD2-CG 3.87Å; L366-M369 WeakPolarHBondContact O-CA 3.29Å; L366-M369 VanDerWaalsContact O-CB 3.24Å; L366-M369 WeakPolarHBondContact O-CB 3.29Å; L366-M369 PolarHBondContact O-N 3.03Å; T367-M369 VanDerWaalsContact C-N 3.3Å; T367-M369 PolarHBondContact O-N 3.33Å; M369-T371 PolarHBondContact O-N 3.21Å
370C96.8Very high95.3Very high0 Ų039.8 Ų39.80%018%0.182CC..G310 helixtrans-81.5-0.8180-50.60000113.7T367 R368 L400 P403 L404T367-C370 PolarHBondContact O-N 3.26Å; R368-C370 VanDerWaalsContact C-N 3.26Å; R368-C370 PolarHBondContact O-N 3.35Å; C370-L400 PolarHBondContact O-N 3.49Å; C370-P403 HydrophobicContact CB-CB 4.27Å; C370-P403 VanDerWaalsContact SG-CB 3.56Å; C370-L404 HydrophobicContact CB-CD1 4.45Å; C370-L404 HydrophobicContact CB-CD2 3.52Å; C370-L404 HydrophobicContact CB-CG 3.56Å
371T97.7Very high95.7Very high26 Ų2638.1 Ų38.116%0.1618%0.177CC..EExtended strand (participates in β ladder)trans-112.2124.4179.9-57.90000110.3R368 M369 E397 L398 H399R368-T371 PolarHBondContact O-N 2.74Å; M369-T371 PolarHBondContact O-N 3.21Å; T371-E397 HydrophobicContact CG2-CG 3.59Å; T371-L398 WeakPolarHBondContact CA-O 3.48Å; T371-H399 PolarHBondContact OG1-CD2 2.93Å
372I98.6Very high95.8Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-118.9133.5177.6-59.9174.1000108.6V315 I342 F343 M374 L398 L400V315-I372 HydrophobicContact CG1-CG2 3.81Å; I342-I372 HydrophobicContact CB-CD1 4.26Å; I342-I372 HydrophobicContact CD1-CD1 3.96Å; I342-I372 HydrophobicContact CD1-CG2 4.39Å; I342-I372 HydrophobicContact CG1-CD1 4.01Å; F343-I372 HydrophobicContact CB-CD1 4.13Å; F343-I372 HydrophobicContact CD2-CD1 4.28Å; I372-M374 HydrophobicContact CG2-CG 4.22Å; I372-L398 HydrophobicContact CB-CB 4.28Å; I372-L398 PolarHBondContact N-O 2.96Å; I372-L398 PolarHBondContact O-N 3.11Å; I372-L400 HydrophobicContact CD1-CD1 4.08Å
373R98.7Very high95.6Very high89 Ų8945.1 Ų45.134%0.33622%0.223SC..EExtended strand (participates in β ladder)trans-112.7136179.1-68.9171.5172.61542.2110.4V315 Q316 W380 W395 I396 E397V315-R373 WeakPolarHBondContact CA-O 3.21Å; Q316-R373 HydrophobicContact CB-CB 4.48Å; Q316-R373 PolarHBondContact N-O 3.5Å; Q316-R373 PolarHBondContact O-N 2.85Å; R373-W380 HydrophobicContact CB-CH2 4.49Å; R373-W380 HydrophobicContact CB-CZ2 4.31Å; R373-W395 HydrophobicContact CG-CE3 4.49Å; R373-W395 HydrophobicContact CG-CZ3 4.12Å; R373-I396 WeakPolarHBondContact CA-O 3.44Å; R373-E397 HydrophobicContact CG-CG 4.23Å; R373-E397 IonicContact CZ-OE2 3.7Å; R373-E397 VanDerWaalsContact CZ-OE2 3.31Å; R373-E397 IonicContact NE-OE2 3.79Å; R373-E397 PolarHBondContact NE-OE2 3.34Å; R373-E397 IonicContact NH2-OE2 2.89Å; R373-E397 PolarHBondContact NH2-OE2 3.03Å
374M98.7Very high95.8Very high2 Ų248.5 Ų48.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-134.9126-179.3-60.4-173.249.800111.8V294 L296 A305 I313 F314 V315 I372 W395 I396 L398V294-M374 HydrophobicContact CB-CE 4.29Å; V294-M374 HydrophobicContact CG1-CE 4.32Å; V294-M374 HydrophobicContact CG2-CE 3.69Å; L296-M374 HydrophobicContact CD2-SD 4.18Å; A305-M374 HydrophobicContact CB-CE 3.9Å; A305-M374 HydrophobicContact CB-SD 4.21Å; I313-M374 HydrophobicContact CD1-CE 3.53Å; I313-M374 HydrophobicContact CG1-CE 4.22Å; F314-M374 CarbonylContact O-C 3.44Å; F314-M374 WeakPolarHBondContact O-CA 3.24Å; V315-M374 HydrophobicContact CB-CG 4.22Å; V315-M374 HydrophobicContact CG1-CG 3.93Å; V315-M374 HydrophobicContact CG1-SD 4.33Å; V315-M374 HydrophobicContact CG2-CE 3.51Å; V315-M374 HydrophobicContact CG2-CG 3.78Å; V315-M374 HydrophobicContact CG2-SD 3.92Å; I372-M374 HydrophobicContact CG2-CG 4.22Å; M374-W395 CarbonylContact O-C 3.54Å; M374-W395 WeakPolarHBondContact O-CA 3.46Å; M374-W395 WeakPolarHBondContact O-CB 3.42Å; M374-I396 HydrophobicContact CB-CD1 4.33Å; M374-I396 HydrophobicContact CB-CG1 3.84Å; M374-I396 PolarHBondContact N-O 2.94Å; M374-I396 PolarHBondContact O-N 2.84Å; M374-L398 HydrophobicContact CG-CD1 4.16Å; M374-L398 HydrophobicContact SD-CD1 4.24Å; M374-L398 HydrophobicContact SD-CD2 4.47Å
375S98.8Very high95.9Very high0 Ų054.6 Ų54.60%026%0.258CS..EExtended strand (participates in β ladder)trans-104.6143173.9-168.10000111.5I313 F314 K378 T392 C394I313-S375 WeakPolarHBondContact CA-O 3.47Å; F314-S375 PolarHBondContact N-O 2.85Å; F314-S375 PolarHBondContact O-N 2.69Å; S375-K378 WeakPolarHBondContact CB-O 3.35Å; S375-K378 PolarHBondContact OG-O 2.89Å; S375-T392 WeakPolarHBondContact OG-CB 3.4Å; S375-T392 WeakPolarHBondContact OG-CG2 3.34Å; S375-T392 PolarHBondContact OG-OG1 3.3Å; S375-C394 PolarHBondContact OG-O 3.27Å; S375-C394 VanDerWaalsContact OG-O 3.1Å
376F98.7Very high96.1Very high2 Ų255.4 Ų55.41%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-93.7135.4176-61.7-84.3000110.4V257 L271 I290 V294 I313 K378 C394 I396V257-F376 HydrophobicContact CB-CZ 4.4Å; V257-F376 HydrophobicContact CG1-CZ 3.97Å; L271-F376 HydrophobicContact CD1-CD2 4.45Å; L271-F376 HydrophobicContact CD1-CE2 3.75Å; L271-F376 HydrophobicContact CD1-CZ 4.08Å; I290-F376 HydrophobicContact CD1-CB 4.42Å; I290-F376 HydrophobicContact CD1-CD2 4.28Å; I290-F376 HydrophobicContact CD1-CG 4.27Å; I290-F376 HydrophobicContact CG1-CB 3.93Å; I290-F376 HydrophobicContact CG1-CD1 4.36Å; I290-F376 HydrophobicContact CG1-CG 4.05Å; I290-F376 HydrophobicContact CG2-CD1 3.95Å; I290-F376 HydrophobicContact CG2-CE1 4.08Å; I290-F376 HydrophobicContact CG2-CG 4.41Å; V294-F376 HydrophobicContact CB-CE1 4.39Å; V294-F376 HydrophobicContact CG1-CE1 3.86Å; V294-F376 HydrophobicContact CG1-CZ 4Å; I313-F376 HydrophobicContact CG2-CD1 3.87Å; I313-F376 HydrophobicContact CG2-CE1 4.35Å; F376-K378 PolarHBondContact O-N 3.07Å; F376-C394 HydrophobicContact CB-CB 4.44Å; F376-C394 HydrophobicContact CD2-CB 4.35Å; F376-C394 PolarHBondContact N-O 3.11Å; F376-I396 HydrophobicContact CE2-CD1 4.41Å; F376-I396 HydrophobicContact CE2-CG1 4.2Å; F376-I396 HydrophobicContact CE2-CG2 4.02Å; F376-I396 HydrophobicContact CZ-CD1 4.16Å; F376-I396 HydrophobicContact CZ-CG1 4.43Å
377V98.3Very high96.2Very high29 Ų2960.7 Ų60.718%0.17628%0.283CS..SBendtrans67.8-38.2171.3-168.80000114.8T286 H289 A312 F314T286-V377 HydrophobicContact CG2-CB 3.94Å; T286-V377 HydrophobicContact CG2-CG2 3.93Å; H289-V377 HydrophobicContact CB-CG1 4.31Å; H289-V377 HydrophobicContact CB-CG2 3.69Å; A312-V377 WeakPolarHBondContact O-CA 3.31Å; A312-V377 PolarHBondContact O-N 3.37Å; F314-V377 WeakPolarHBondContact CE2-O 3.28Å
378K98Very high96.3Very high82 Ų8261.9 Ų61.936%0.35729%0.29SS..  trans-115.6125.5-174.4-56.9-56.7-178.8-171.80111.1F314 S375 F376 P393F314-K378 WeakPolarHBondContact CD2-O 3.41Å; F314-K378 VanDerWaalsContact CE2-C 3.43Å; S375-K378 WeakPolarHBondContact CB-O 3.35Å; S375-K378 PolarHBondContact OG-O 2.89Å; F376-K378 PolarHBondContact O-N 3.07Å; K378-P393 HydrophobicContact CG-CG 4.08Å
379G96.7Very high96.5Very high6 Ų654.5 Ų54.56%0.06226%0.263CS..  trans-79.8161.1173.900000113.5F314F314-G379 VanDerWaalsContact CD1-CA 3.45Å; F314-G379 VanDerWaalsContact CE2-N 3.28Å; F314-G379 VanDerWaalsContact CG-CA 3.42Å
380W98.3Very high96.7Very high5 Ų556.5 Ų56.52%0.01928%0.277CS..  trans-142.5169.3171.980.997.7000110.5F314 Q316 V331 R373 Y384 R386 V389 T392F314-W380 HydrophobicContact CB-CE3 4.01Å; F314-W380 HydrophobicContact CB-CZ3 3.59Å; F314-W380 WeakPolarHBondContact O-CH2 3.47Å; F314-W380 WeakPolarHBondContact O-CZ3 3.33Å; Q316-W380 HydrophobicContact CB-CH2 4.18Å; Q316-W380 HydrophobicContact CB-CZ2 3.59Å; V331-W380 WeakPolarHBondContact CB-O 3.34Å; V331-W380 HydrophobicContact CG1-CD2 4.07Å; V331-W380 HydrophobicContact CG1-CE3 3.9Å; V331-W380 HydrophobicContact CG1-CH2 3.95Å; V331-W380 HydrophobicContact CG1-CZ2 4.13Å; V331-W380 HydrophobicContact CG1-CZ3 3.82Å; V331-W380 HydrophobicContact CG2-CD2 3.97Å; V331-W380 HydrophobicContact CG2-CG 4.28Å; V331-W380 HydrophobicContact CG2-CZ2 3.85Å; V331-W380 VanDerWaalsContact CG2-O 3.28Å; V331-W380 WeakPolarHBondContact CG2-O 3.27Å; R373-W380 HydrophobicContact CB-CH2 4.49Å; R373-W380 HydrophobicContact CB-CZ2 4.31Å; W380-Y384 VanDerWaalsContact C-CD2 3.49Å; W380-Y384 WeakPolarHBondContact O-CD2 3.44Å; W380-R386 CarbonylContact C-O 3.58Å; W380-R386 WeakPolarHBondContact CA-O 3.22Å; W380-R386 HydrophobicContact CB-CB 3.93Å; W380-R386 WeakPolarHBondContact CB-O 3.47Å; W380-V389 HydrophobicContact CD2-CB 4.18Å; W380-V389 HydrophobicContact CD2-CG2 4.13Å; W380-V389 HydrophobicContact CE3-CG2 4.33Å; W380-V389 HydrophobicContact CG-CB 4.42Å; W380-V389 HydrophobicContact CH2-CG2 4.11Å; W380-V389 HydrophobicContact CZ2-CB 4.13Å; W380-V389 HydrophobicContact CZ2-CG2 3.86Å; W380-V389 HydrophobicContact CZ3-CG2 4.33Å; W380-T392 HydrophobicContact CB-CG2 3.78Å; W380-T392 HydrophobicContact CD2-CG2 4.29Å; W380-T392 HydrophobicContact CE3-CG2 4.02Å; W380-T392 HydrophobicContact CG-CG2 4.23Å
381G95.9Very high96.7Very high10 Ų1059 Ų5910%0.10329%0.294CS..SBendtrans105.2-169.9-178.500000112.2E383 Y384 R386G381-E383 PolarHBondContact O-N 3.15Å; G381-E383 VanDerWaalsContact O-N 3.07Å; G381-Y384 PolarHBondContact O-N 3.49Å; G381-Y384 VanDerWaalsContact O-O 3.14Å; G381-R386 PolarHBondContact N-O 3.36Å
382A91.1Very high96.7Very high99 Ų9957.7 Ų57.782%0.81829%0.286SS*.THydrogen-bonded Turntrans-54.1-33-171.700000114.2Y384A382-Y384 VanDerWaalsContact C-N 3.31Å; A382-Y384 PolarHBondContact O-N 3.43Å
383E88.8Confident96.7Very high177 Ų17758 Ų5883%0.82729%0.288SS*.THydrogen-bonded Turntrans-84.4-0.9-177.5-62.8-104.9135.100113.7G381G381-E383 PolarHBondContact O-N 3.15Å; G381-E383 VanDerWaalsContact O-N 3.07Å
384Y95.1Very high96.7Very high71 Ų7153.7 Ų53.728%0.27827%0.272SS..SBendtrans-130.8157-171.8-59.8-85.8000111.9F314 W380 G381 A382 R386 Q387F314-Y384 HydrophobicContact CD1-CE1 4.45Å; F314-Y384 HydrophobicContact CD1-CE2 4.4Å; F314-Y384 AromaticContact CD1-CZ 3.93Å; F314-Y384 AromaticContact CE1-CE1 3.81Å; F314-Y384 HydrophobicContact CE1-CE1 3.81Å; F314-Y384 HydrophobicContact CE1-CE2 4.48Å; F314-Y384 AromaticContact CE1-CZ 3.6Å; F314-Y384 VanDerWaalsContact CE1-OH 3.25Å; F314-Y384 WeakPolarHBondContact CE1-OH 3.31Å; F314-Y384 HydrophobicContact CZ-CE1 4.46Å; W380-Y384 VanDerWaalsContact C-CD2 3.49Å; W380-Y384 WeakPolarHBondContact O-CD2 3.44Å; G381-Y384 PolarHBondContact O-N 3.49Å; G381-Y384 VanDerWaalsContact O-O 3.14Å; A382-Y384 VanDerWaalsContact C-N 3.31Å; A382-Y384 PolarHBondContact O-N 3.43Å; Y384-R386 PolarHBondContact O-N 3.13Å; Y384-Q387 PolarHBondContact O-NE2 2.92Å
385R94.6Very high96.7Very high246 Ų24654 Ų5493%0.92827%0.273SS*.SBendtrans-57.7-31.8173.3-178.1177173.7-174.7-0.7112.8
386R96.7Very high96.7Very high83 Ų8354 Ų5431%0.31327%0.273SS..  trans-87.2118.6179.2-68.9173.8177.7766.7108.8W380 G381 Y384 S391W380-R386 CarbonylContact C-O 3.58Å; W380-R386 WeakPolarHBondContact CA-O 3.22Å; W380-R386 HydrophobicContact CB-CB 3.93Å; W380-R386 WeakPolarHBondContact CB-O 3.47Å; G381-R386 PolarHBondContact N-O 3.36Å; Y384-R386 PolarHBondContact O-N 3.13Å; R386-S391 WeakPolarHBondContact CD-O 3.39Å; R386-S391 PolarHBondContact NE-O 3.27Å
387Q96.1Very high96.7Very high122 Ų12254.8 Ų54.857%0.5728%0.276SS*.  trans-86.1-28.4-180-63.1-55.4-43.800112.9Y384Y384-Q387 PolarHBondContact O-NE2 2.92Å
388T96.8Very high96.7Very high67 Ų6753.4 Ų53.441%0.41127%0.268SS..SBendtrans-115.1151.1-179.166.60000111.9T390 S391T388-T390 PolarHBondContact O-N 3.39Å; T388-T390 PolarHBondContact OG1-OG1 3.24Å; T388-S391 WeakPolarHBondContact O-CB 3.48Å; T388-S391 PolarHBondContact O-N 3.09Å; T388-S391 VanDerWaalsContact O-N 3.08Å; T388-S391 PolarHBondContact OG1-N 3.5Å; T388-S391 PolarHBondContact OG1-OG 2.96Å
389V97.9Very high96.7Very high11 Ų1152.6 Ų52.67%0.06727%0.265CS..G310 helixtrans-61.1-32.6174.773.60000111.7W380 S391 T392 W395W380-V389 HydrophobicContact CD2-CB 4.18Å; W380-V389 HydrophobicContact CD2-CG2 4.13Å; W380-V389 HydrophobicContact CE3-CG2 4.33Å; W380-V389 HydrophobicContact CG-CB 4.42Å; W380-V389 HydrophobicContact CH2-CG2 4.11Å; W380-V389 HydrophobicContact CZ2-CB 4.13Å; W380-V389 HydrophobicContact CZ2-CG2 3.86Å; W380-V389 HydrophobicContact CZ3-CG2 4.33Å; V389-S391 PolarHBondContact O-N 3.25Å; V389-S391 VanDerWaalsContact O-N 3.14Å; V389-T392 VanDerWaalsContact O-CB 3.28Å; V389-T392 WeakPolarHBondContact O-CB 3.22Å; V389-T392 WeakPolarHBondContact O-CG2 3.47Å; V389-T392 PolarHBondContact O-N 3.44Å; V389-T392 PolarHBondContact O-OG1 3.25Å; V389-W395 HydrophobicContact CB-CD2 4.46Å; V389-W395 HydrophobicContact CG1-CD2 4.21Å; V389-W395 HydrophobicContact CG1-CE3 4.16Å; V389-W395 HydrophobicContact CG1-CH2 3.99Å; V389-W395 HydrophobicContact CG1-CZ2 4.02Å; V389-W395 HydrophobicContact CG1-CZ3 4.04Å; V389-W395 HydrophobicContact CG2-CB 3.98Å; V389-W395 HydrophobicContact CG2-CD2 3.51Å; V389-W395 HydrophobicContact CG2-CE3 3.63Å; V389-W395 HydrophobicContact CG2-CG 3.68Å; V389-W395 HydrophobicContact CG2-CZ3 4.32Å
390T97.9Very high96.8Very high60 Ų6052.5 Ų52.537%0.36826%0.263SS..G310 helixtrans-66.5-13.4177.753.50000113.6L240 N241 T388 T392 W395L240-T390 CarbonylContact C-O 3.51Å; L240-T390 WeakPolarHBondContact CA-O 3.27Å; L240-T390 WeakPolarHBondContact O-CA 3.47Å; N241-T390 HydrophobicContact CB-CG2 4.25Å; T388-T390 PolarHBondContact O-N 3.39Å; T388-T390 PolarHBondContact OG1-OG1 3.24Å; T390-T392 VanDerWaalsContact C-N 3.32Å; T390-W395 HydrophobicContact CG2-CZ2 4.18Å
391S97.8Very high96.7Very high51 Ų5153.9 Ų53.936%0.35727%0.271SS..G310 helixtrans-85.5-7.6171-57.80000112.6R386 T388 V389R386-S391 WeakPolarHBondContact CD-O 3.39Å; R386-S391 PolarHBondContact NE-O 3.27Å; T388-S391 WeakPolarHBondContact O-CB 3.48Å; T388-S391 PolarHBondContact O-N 3.09Å; T388-S391 VanDerWaalsContact O-N 3.08Å; T388-S391 PolarHBondContact OG1-N 3.5Å; T388-S391 PolarHBondContact OG1-OG 2.96Å; V389-S391 PolarHBondContact O-N 3.25Å; V389-S391 VanDerWaalsContact O-N 3.14Å
392T98.2Very high96.5Very high0 Ų053.5 Ų53.50%027%0.267CS..SBendtrans-84.8141.1178.573.90000110.6L240 S375 W380 V389 T390 C394 W395L240-T392 WeakPolarHBondContact CA-O 3.14Å; L240-T392 PolarHBondContact N-O 3.37Å; S375-T392 WeakPolarHBondContact OG-CB 3.4Å; S375-T392 WeakPolarHBondContact OG-CG2 3.34Å; S375-T392 PolarHBondContact OG-OG1 3.3Å; W380-T392 HydrophobicContact CB-CG2 3.78Å; W380-T392 HydrophobicContact CD2-CG2 4.29Å; W380-T392 HydrophobicContact CE3-CG2 4.02Å; W380-T392 HydrophobicContact CG-CG2 4.23Å; V389-T392 VanDerWaalsContact O-CB 3.28Å; V389-T392 WeakPolarHBondContact O-CB 3.22Å; V389-T392 WeakPolarHBondContact O-CG2 3.47Å; V389-T392 PolarHBondContact O-N 3.44Å; V389-T392 PolarHBondContact O-OG1 3.25Å; T390-T392 VanDerWaalsContact C-N 3.32Å; T392-C394 VanDerWaalsContact C-N 3.35Å; T392-C394 PolarHBondContact O-N 3.32Å; T392-W395 VanDerWaalsContact OG1-CD1 3.24Å
393P98.3Very high96.7Very high5 Ų549 Ų493%0.03223%0.229CC..SBendtrans-68.6-32.3-172.9-19.532.7000113.7E239 V283 T286 K378E239-P393 WeakPolarHBondContact CA-O 3.47Å; V283-P393 HydrophobicContact CB-CB 4.33Å; V283-P393 HydrophobicContact CG2-CB 3.84Å; T286-P393 HydrophobicContact CG2-CB 4.09Å; T286-P393 HydrophobicContact CG2-CG 4.41Å; T286-P393 WeakPolarHBondContact OG1-CG 3.26Å; K378-P393 HydrophobicContact CG-CG 4.08Å
394C98.7Very high97Very high0 Ų042.9 Ų42.90%020%0.202CC..SBendtrans-144.1120.5-177.5-59.40000109.4Y237 T286 R287 I290 S375 F376 T392Y237-C394 HydrophobicContact CE2-CB 4.04Å; Y237-C394 PolarHBondContact OH-SG 3.4Å; T286-C394 HydrophobicContact CG2-CB 3.99Å; R287-C394 VanDerWaalsContact CG-SG 3.51Å; I290-C394 HydrophobicContact CD1-CB 4.24Å; S375-C394 PolarHBondContact OG-O 3.27Å; S375-C394 VanDerWaalsContact OG-O 3.1Å; F376-C394 HydrophobicContact CB-CB 4.44Å; F376-C394 HydrophobicContact CD2-CB 4.35Å; F376-C394 PolarHBondContact N-O 3.11Å; T392-C394 VanDerWaalsContact C-N 3.35Å; T392-C394 PolarHBondContact O-N 3.32Å
395W98.8Very high96.9Very high9 Ų943.1 Ų43.13%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-150.4162176.663.3-78.3000111.3Y237 Y238 L240 R373 M374 V389 T390 T392 E397Y237-W395 VanDerWaalsContact CD2-O 3.24Å; Y237-W395 WeakPolarHBondContact CD2-O 3.5Å; Y238-W395 VanDerWaalsContact CB-NE1 3.35Å; Y238-W395 HydrophobicContact CD1-CH2 4.17Å; Y238-W395 AromaticContact CD1-CZ2 3.83Å; Y238-W395 HydrophobicContact CD1-CZ2 3.83Å; Y238-W395 HydrophobicContact CD2-CD2 4.27Å; Y238-W395 HydrophobicContact CD2-CE3 4.11Å; Y238-W395 AromaticContact CD2-CH2 3.62Å; Y238-W395 HydrophobicContact CD2-CH2 3.62Å; Y238-W395 AromaticContact CD2-CZ2 3.8Å; Y238-W395 HydrophobicContact CD2-CZ2 3.8Å; Y238-W395 AromaticContact CD2-CZ3 3.81Å; Y238-W395 HydrophobicContact CD2-CZ3 3.81Å; Y238-W395 HydrophobicContact CE1-CH2 4.44Å; Y238-W395 HydrophobicContact CE1-CZ2 4.47Å; Y238-W395 AromaticContact CE2-CH2 3.9Å; Y238-W395 HydrophobicContact CE2-CH2 3.9Å; Y238-W395 HydrophobicContact CE2-CZ2 4.43Å; Y238-W395 HydrophobicContact CE2-CZ3 4.13Å; Y238-W395 HydrophobicContact CG-CD2 4.3Å; Y238-W395 AromaticContact CG-CE2 3.75Å; Y238-W395 AromaticContact CG-CH2 3.77Å; Y238-W395 HydrophobicContact CG-CH2 3.77Å; Y238-W395 AromaticContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ2 3.46Å; Y238-W395 VanDerWaalsContact CG-CZ2 3.46Å; Y238-W395 HydrophobicContact CG-CZ3 4.33Å; Y238-W395 PolarHBondContact N-O 3.5Å; Y238-W395 PolarHBondContact O-N 3.35Å; L240-W395 PolarHBondContact O-NE1 3.01Å; R373-W395 HydrophobicContact CG-CE3 4.49Å; R373-W395 HydrophobicContact CG-CZ3 4.12Å; M374-W395 CarbonylContact O-C 3.54Å; M374-W395 WeakPolarHBondContact O-CA 3.46Å; M374-W395 WeakPolarHBondContact O-CB 3.42Å; V389-W395 HydrophobicContact CB-CD2 4.46Å; V389-W395 HydrophobicContact CG1-CD2 4.21Å; V389-W395 HydrophobicContact CG1-CE3 4.16Å; V389-W395 HydrophobicContact CG1-CH2 3.99Å; V389-W395 HydrophobicContact CG1-CZ2 4.02Å; V389-W395 HydrophobicContact CG1-CZ3 4.04Å; V389-W395 HydrophobicContact CG2-CB 3.98Å; V389-W395 HydrophobicContact CG2-CD2 3.51Å; V389-W395 HydrophobicContact CG2-CE3 3.63Å; V389-W395 HydrophobicContact CG2-CG 3.68Å; V389-W395 HydrophobicContact CG2-CZ3 4.32Å; T390-W395 HydrophobicContact CG2-CZ2 4.18Å; T392-W395 VanDerWaalsContact OG1-CD1 3.24Å; W395-E397 HydrophobicContact CZ3-CB 3.94Å
396I98.8Very high96.8Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-124.2150.6176.554.3173000110.3I235 S236 Y237 V257 V294 R373 M374 F376 L398I235-I396 HydrophobicContact CG2-CB 3.82Å; I235-I396 HydrophobicContact CG2-CD1 4.03Å; I235-I396 HydrophobicContact CG2-CG1 4.44Å; I235-I396 HydrophobicContact CG2-CG2 4.04Å; S236-I396 CarbonylContact O-C 3.43Å; S236-I396 VanDerWaalsContact O-CA 3.23Å; S236-I396 WeakPolarHBondContact O-CA 3.39Å; Y237-I396 HydrophobicContact CD2-CG2 3.88Å; V257-I396 HydrophobicContact CB-CD1 4.44Å; V257-I396 HydrophobicContact CG1-CD1 4.35Å; V257-I396 HydrophobicContact CG1-CG2 4.38Å; V257-I396 HydrophobicContact CG2-CD1 4.14Å; V294-I396 HydrophobicContact CG1-CD1 4.39Å; R373-I396 WeakPolarHBondContact CA-O 3.44Å; M374-I396 HydrophobicContact CB-CD1 4.33Å; M374-I396 HydrophobicContact CB-CG1 3.84Å; M374-I396 PolarHBondContact N-O 2.94Å; M374-I396 PolarHBondContact O-N 2.84Å; F376-I396 HydrophobicContact CE2-CD1 4.41Å; F376-I396 HydrophobicContact CE2-CG1 4.2Å; F376-I396 HydrophobicContact CE2-CG2 4.02Å; F376-I396 HydrophobicContact CZ-CD1 4.16Å; F376-I396 HydrophobicContact CZ-CG1 4.43Å; I396-L398 HydrophobicContact CB-CD1 4.37Å; I396-L398 HydrophobicContact CD1-CD1 3.66Å; I396-L398 HydrophobicContact CG1-CD1 3.73Å
397E98.7Very high96.7Very high18 Ų1827.8 Ų27.88%0.08415%0.148CC..EExtended strand (participates in β ladder)trans-114.3124170.5-167.3163.660.300108.5I235 S236 Y238 T371 R373 W395 H399I235-E397 CarbonylContact C-O 3.57Å; I235-E397 WeakPolarHBondContact CA-O 3.39Å; S236-E397 PolarHBondContact N-O 2.86Å; S236-E397 PolarHBondContact O-N 3.32Å; Y238-E397 HydrophobicContact CD2-CB 4.46Å; Y238-E397 HydrophobicContact CE2-CB 3.86Å; Y238-E397 PolarHBondContact OH-OE1 3.25Å; T371-E397 HydrophobicContact CG2-CG 3.59Å; R373-E397 HydrophobicContact CG-CG 4.23Å; R373-E397 IonicContact CZ-OE2 3.7Å; R373-E397 VanDerWaalsContact CZ-OE2 3.31Å; R373-E397 IonicContact NE-OE2 3.79Å; R373-E397 PolarHBondContact NE-OE2 3.34Å; R373-E397 IonicContact NH2-OE2 2.89Å; R373-E397 PolarHBondContact NH2-OE2 3.03Å; W395-E397 HydrophobicContact CZ3-CB 3.94Å; E397-H399 IonicContact OE1-NE2 3.86Å
398L98.3Very high96.5Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-105.5127.2178.8-64.569.9000108.2S234 I235 L296 T371 I372 M374 I396S234-L398 WeakPolarHBondContact O-CA 3.5Å; I235-L398 HydrophobicContact CD1-CG 4.48Å; I235-L398 HydrophobicContact CG1-CG 4.26Å; I235-L398 HydrophobicContact CG2-CG 4.49Å; L296-L398 HydrophobicContact CD1-CD2 3.52Å; L296-L398 HydrophobicContact CD1-CG 4.3Å; L296-L398 HydrophobicContact CD2-CD2 3.96Å; L296-L398 HydrophobicContact CG-CD2 4.39Å; T371-L398 WeakPolarHBondContact CA-O 3.48Å; I372-L398 HydrophobicContact CB-CB 4.28Å; I372-L398 PolarHBondContact N-O 2.96Å; I372-L398 PolarHBondContact O-N 3.11Å; M374-L398 HydrophobicContact CG-CD1 4.16Å; M374-L398 HydrophobicContact SD-CD1 4.24Å; M374-L398 HydrophobicContact SD-CD2 4.47Å; I396-L398 HydrophobicContact CB-CD1 4.37Å; I396-L398 HydrophobicContact CD1-CD1 3.66Å; I396-L398 HydrophobicContact CG1-CD1 3.73Å
399H98.1Very high96.1Very high64 Ų6426.3 Ų26.330%0.29614%0.139SC..EExtended strand (participates in β ladder)trans-105.4122.7169-70.3170.5000109.3C233 S234 T371 E397 N401 L404C233-H399 CarbonylContact C-O 3.52Å; C233-H399 WeakPolarHBondContact CA-O 3.43Å; C233-H399 VanDerWaalsContact CB-O 3.23Å; C233-H399 WeakPolarHBondContact CB-O 3.41Å; S234-H399 PolarHBondContact N-O 2.8Å; S234-H399 PolarHBondContact O-N 3.37Å; T371-H399 PolarHBondContact OG1-CD2 2.93Å; E397-H399 IonicContact OE1-NE2 3.86Å; H399-N401 PolarHBondContact O-N 3.31Å; H399-L404 HydrophobicContact CB-CD1 3.86Å
400L97.4Very high95.8Very high4 Ų425.8 Ų25.82%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-86.4103.5176.4-59.3-179.7000109.4W232 C233 V303 F343 C370 I372 G402 P403 L404W232-L400 HydrophobicContact CE3-CD2 4.26Å; W232-L400 HydrophobicContact CZ3-CD2 4.03Å; C233-L400 HydrophobicContact CB-CD2 4.06Å; V303-L400 HydrophobicContact CG2-CD1 4.44Å; V303-L400 HydrophobicContact CG2-CD2 4.08Å; F343-L400 HydrophobicContact CB-CD1 3.78Å; F343-L400 HydrophobicContact CD1-CD1 3.54Å; F343-L400 HydrophobicContact CD2-CD1 3.28Å; F343-L400 HydrophobicContact CE1-CD1 3.86Å; F343-L400 HydrophobicContact CE2-CD1 3.62Å; F343-L400 HydrophobicContact CG-CD1 3.23Å; F343-L400 HydrophobicContact CZ-CD1 3.89Å; C370-L400 PolarHBondContact O-N 3.49Å; I372-L400 HydrophobicContact CD1-CD1 4.08Å; L400-G402 VanDerWaalsContact C-N 3.33Å; L400-G402 PolarHBondContact O-N 2.86Å; L400-P403 HydrophobicContact CB-CB 4.38Å; L400-P403 HydrophobicContact CB-CG 3.88Å; L400-P403 HydrophobicContact CD1-CG 4.47Å; L400-P403 WeakPolarHBondContact O-CD 3.44Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 3.34Å
401N96.1Very high95.4Very high35 Ų3524 Ų2419%0.18712%0.124CC..Hα-helixtrans-67.3-33.9-168.9-64.2-24.8000112.3P229 F231 W232 S234 H399 L404 Q405P229-N401 HydrophobicContact CB-CB 4.34Å; P229-N401 HydrophobicContact CG-CB 3.9Å; F231-N401 VanDerWaalsContact O-CB 3.29Å; F231-N401 WeakPolarHBondContact O-CB 3.44Å; F231-N401 PolarHBondContact O-ND2 2.93Å; W232-N401 PolarHBondContact O-N 2.98Å; S234-N401 PolarHBondContact OG-ND2 3.11Å; S234-N401 VanDerWaalsContact OG-ND2 3.09Å; S234-N401 PolarHBondContact OG-OD1 3.41Å; S234-N401 VanDerWaalsContact OG-OD1 3.05Å; H399-N401 PolarHBondContact O-N 3.31Å; N401-L404 PolarHBondContact O-N 3.14Å; N401-Q405 VanDerWaalsContact O-CB 3.27Å; N401-Q405 WeakPolarHBondContact O-CB 3.46Å; N401-Q405 PolarHBondContact O-N 3.08Å
402G93.6Very high94.9Very high1 Ų126.4 Ų26.41%0.0114%0.136CC..Hα-helixtrans-64.1-58.6178.500000112L400 L404 Q405 W406L400-G402 VanDerWaalsContact C-N 3.33Å; L400-G402 PolarHBondContact O-N 2.86Å; G402-L404 VanDerWaalsContact C-N 3.29Å; G402-L404 PolarHBondContact O-N 3.44Å; G402-Q405 PolarHBondContact O-N 3.42Å; G402-W406 PolarHBondContact O-N 2.94Å
403P94.7Very high94.3Very high4 Ų429.5 Ų29.53%0.02615%0.151CC..Hα-helixtrans-52.7-42.1172.1-31.137.5000114F343 F348 C370 L400 W406 L407F343-P403 HydrophobicContact CE1-CB 4.36Å; F343-P403 HydrophobicContact CE1-CG 3.55Å; F343-P403 HydrophobicContact CZ-CB 4Å; F343-P403 HydrophobicContact CZ-CG 3.67Å; F348-P403 HydrophobicContact CD1-CB 3.94Å; F348-P403 HydrophobicContact CE1-CB 3.71Å; F348-P403 HydrophobicContact CG-CB 4.47Å; F348-P403 HydrophobicContact CZ-CB 4.05Å; C370-P403 HydrophobicContact CB-CB 4.27Å; C370-P403 VanDerWaalsContact SG-CB 3.56Å; L400-P403 HydrophobicContact CB-CB 4.38Å; L400-P403 HydrophobicContact CB-CG 3.88Å; L400-P403 HydrophobicContact CD1-CG 4.47Å; L400-P403 WeakPolarHBondContact O-CD 3.44Å; P403-W406 PolarHBondContact O-N 3.29Å; P403-L407 WeakPolarHBondContact O-CB 3.43Å; P403-L407 PolarHBondContact O-N 3.25Å
404L95.1Very high93.5Very high50 Ų5030.2 Ų30.226%0.26215%0.154SC..Hα-helixtrans-62.7-46.5176-76.7171.2000112.6C370 H399 L400 N401 G402 W406 L407 D408C370-L404 HydrophobicContact CB-CD1 4.45Å; C370-L404 HydrophobicContact CB-CD2 3.52Å; C370-L404 HydrophobicContact CB-CG 3.56Å; H399-L404 HydrophobicContact CB-CD1 3.86Å; L400-L404 WeakPolarHBondContact O-CB 3.46Å; L400-L404 WeakPolarHBondContact O-CG 3.48Å; L400-L404 PolarHBondContact O-N 3.34Å; N401-L404 PolarHBondContact O-N 3.14Å; G402-L404 VanDerWaalsContact C-N 3.29Å; G402-L404 PolarHBondContact O-N 3.44Å; L404-W406 VanDerWaalsContact C-N 3.29Å; L404-W406 PolarHBondContact O-N 2.93Å; L404-L407 WeakPolarHBondContact O-CB 3.35Å; L404-L407 PolarHBondContact O-N 3.13Å; L404-D408 WeakPolarHBondContact O-CB 3.34Å; L404-D408 PolarHBondContact O-N 3.06Å
405Q93.1Very high92.6Very high76 Ų7632.4 Ų32.436%0.35518%0.177SC..Hα-helixtrans-63.7-38.3179-174.9-179.137.800111.3C227 N401 G402 K409C227-Q405 PolarHBondContact O-OE1 2.8Å; N401-Q405 VanDerWaalsContact O-CB 3.27Å; N401-Q405 WeakPolarHBondContact O-CB 3.46Å; N401-Q405 PolarHBondContact O-N 3.08Å; G402-Q405 PolarHBondContact O-N 3.42Å; Q405-K409 WeakPolarHBondContact O-CG 3.27Å; Q405-K409 PolarHBondContact O-N 3.38Å; Q405-K409 VanDerWaalsContact O-N 3.13Å
406W92.4Very high91.6Very high4 Ų436.8 Ų36.82%0.01521%0.208CC..Hα-helixtrans-66.2-43176.4-162.54.6000111.6L135 P136 V138 V224 Y226 A349 L352 G402 P403 L404 K409 V410L135-W406 HydrophobicContact CB-CH2 3.71Å; L135-W406 HydrophobicContact CB-CZ3 4.06Å; L135-W406 HydrophobicContact CD1-CE3 4.41Å; L135-W406 HydrophobicContact CD1-CH2 4.19Å; L135-W406 HydrophobicContact CD1-CZ3 3.63Å; L135-W406 HydrophobicContact CG-CZ3 4.39Å; P136-W406 WeakPolarHBondContact O-CH2 3.48Å; P136-W406 VanDerWaalsContact O-CZ2 3.27Å; P136-W406 WeakPolarHBondContact O-CZ2 3.38Å; V138-W406 HydrophobicContact CB-CZ2 4.47Å; V138-W406 HydrophobicContact CG2-CH2 4.3Å; V138-W406 HydrophobicContact CG2-CZ2 3.57Å; V224-W406 PolarHBondContact O-NE1 3.31Å; V224-W406 VanDerWaalsContact O-NE1 3.07Å; Y226-W406 HydrophobicContact CD2-CB 3.98Å; Y226-W406 AromaticContact CD2-CD2 3.74Å; Y226-W406 HydrophobicContact CD2-CD2 3.74Å; Y226-W406 AromaticContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CE3 3.39Å; Y226-W406 HydrophobicContact CD2-CG 4.04Å; Y226-W406 HydrophobicContact CD2-CZ3 4.03Å; Y226-W406 HydrophobicContact CE2-CE3 4.22Å; Y226-W406 HydrophobicContact CG-CD2 4.33Å; Y226-W406 HydrophobicContact CG-CE3 4.09Å; Y226-W406 HydrophobicContact CG-CZ3 4.37Å; A349-W406 HydrophobicContact CB-CH2 3.49Å; A349-W406 VanDerWaalsContact CB-CH2 3.49Å; A349-W406 HydrophobicContact CB-CZ3 3.48Å; A349-W406 VanDerWaalsContact CB-CZ3 3.48Å; L352-W406 HydrophobicContact CD2-CD2 4.02Å; L352-W406 HydrophobicContact CD2-CE3 4.39Å; L352-W406 HydrophobicContact CD2-CG 4.09Å; G402-W406 PolarHBondContact O-N 2.94Å; P403-W406 PolarHBondContact O-N 3.29Å; L404-W406 VanDerWaalsContact C-N 3.29Å; L404-W406 PolarHBondContact O-N 2.93Å; W406-K409 PolarHBondContact O-N 3.32Å; W406-V410 WeakPolarHBondContact O-CG2 3.29Å; W406-V410 PolarHBondContact O-N 3.08Å; W406-V410 VanDerWaalsContact O-N 3.11Å
407L93.6Very high90.7Very high2 Ų239.7 Ų39.71%0.0123%0.228CC..Hα-helixtrans-60.9-44.5176.2-174.266.1000112.1L352 V363 L366 T367 P403 L404 K409 V410 L411L352-L407 HydrophobicContact CD1-CD1 3.6Å; V363-L407 HydrophobicContact CG1-CD1 3.42Å; V363-L407 VanDerWaalsContact CG1-CD1 3.42Å; V363-L407 WeakPolarHBondContact O-CD1 3.35Å; L366-L407 HydrophobicContact CB-CD1 3.96Å; L366-L407 HydrophobicContact CB-CD2 4.2Å; L366-L407 HydrophobicContact CD1-CD1 4.35Å; T367-L407 HydrophobicContact CG2-CD2 3.54Å; T367-L407 VanDerWaalsContact N-CD2 3.32Å; P403-L407 WeakPolarHBondContact O-CB 3.43Å; P403-L407 PolarHBondContact O-N 3.25Å; L404-L407 WeakPolarHBondContact O-CB 3.35Å; L404-L407 PolarHBondContact O-N 3.13Å; L407-K409 PolarHBondContact O-N 2.82Å; L407-V410 PolarHBondContact O-N 2.95Å; L407-V410 VanDerWaalsContact O-N 3.15Å; L407-L411 HydrophobicContact CD2-CD1 4.49Å; L407-L411 HydrophobicContact CG-CD1 3.97Å; L407-L411 HydrophobicContact CG-CG 4.45Å; L407-L411 WeakPolarHBondContact O-CB 3.45Å; L407-L411 WeakPolarHBondContact O-CG 3.21Å; L407-L411 PolarHBondContact O-N 3.23Å
408D91.3Very high89.7Confident98 Ų9844.8 Ų44.852%0.52427%0.265SS..Hα-helixtrans-59.1-45.4177.2-178.969.2000112L404 V410 L411 T412L404-D408 WeakPolarHBondContact O-CB 3.34Å; L404-D408 PolarHBondContact O-N 3.06Å; D408-V410 VanDerWaalsContact C-N 3.29Å; D408-V410 PolarHBondContact O-N 2.75Å; D408-L411 PolarHBondContact O-N 3.08Å; D408-T412 WeakPolarHBondContact O-CB 3.18Å; D408-T412 VanDerWaalsContact O-CG2 3.29Å; D408-T412 WeakPolarHBondContact O-CG2 3.21Å; D408-T412 PolarHBondContact O-N 3.09Å; D408-T412 PolarHBondContact O-OG1 2.87Å
409K89.7Confident88.8Confident61 Ų6151.7 Ų51.727%0.26530%0.3SS..Hα-helixtrans-62.8-32.3174.8-71.1179.4179.7-178.40113.6V224 C227 Q405 W406 L407 T412 Q413V224-K409 HydrophobicContact CG1-CB 3.49Å; V224-K409 VanDerWaalsContact CG1-CB 3.49Å; V224-K409 HydrophobicContact CG1-CD 4.22Å; C227-K409 PolarHBondContact SG-NZ 3.31Å; C227-K409 VanDerWaalsContact SG-NZ 3.36Å; Q405-K409 WeakPolarHBondContact O-CG 3.27Å; Q405-K409 PolarHBondContact O-N 3.38Å; Q405-K409 VanDerWaalsContact O-N 3.13Å; W406-K409 PolarHBondContact O-N 3.32Å; L407-K409 PolarHBondContact O-N 2.82Å; K409-T412 WeakPolarHBondContact CA-OG1 3.49Å; K409-T412 PolarHBondContact O-OG1 2.92Å; K409-Q413 WeakPolarHBondContact O-CG 3.31Å
410V90.4Very high88Confident0 Ų059.9 Ų59.90%033%0.329CS..Hα-helixtrans-73.7-48.6175170.10000110.2V138 V140 V224 L352 V356 V363 W406 L407 D408 T412 Q413 M414V138-V410 HydrophobicContact CB-CG2 4.15Å; V138-V410 HydrophobicContact CG1-CG2 3.91Å; V140-V410 HydrophobicContact CG2-CB 4.4Å; V140-V410 HydrophobicContact CG2-CG1 3.88Å; V140-V410 HydrophobicContact CG2-CG2 4.28Å; V224-V410 HydrophobicContact CB-CG2 4.1Å; V224-V410 HydrophobicContact CG1-CG2 4.04Å; V224-V410 HydrophobicContact CG2-CG2 4.28Å; L352-V410 HydrophobicContact CD1-CB 4.47Å; L352-V410 HydrophobicContact CD1-CG1 4.24Å; L352-V410 HydrophobicContact CD1-CG2 4.45Å; L352-V410 HydrophobicContact CD2-CG2 4.13Å; L352-V410 HydrophobicContact CG-CG2 4.45Å; V356-V410 HydrophobicContact CG2-CG1 3.65Å; V363-V410 HydrophobicContact CG1-CG1 4.01Å; W406-V410 WeakPolarHBondContact O-CG2 3.29Å; W406-V410 PolarHBondContact O-N 3.08Å; W406-V410 VanDerWaalsContact O-N 3.11Å; L407-V410 PolarHBondContact O-N 2.95Å; L407-V410 VanDerWaalsContact O-N 3.15Å; D408-V410 VanDerWaalsContact C-N 3.29Å; D408-V410 PolarHBondContact O-N 2.75Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 2.98Å; V410-Q413 PolarHBondContact O-N 3.42Å; V410-M414 HydrophobicContact CG1-CG 4.31Å; V410-M414 HydrophobicContact CG1-SD 3.92Å; V410-M414 WeakPolarHBondContact O-CG 3.41Å; V410-M414 PolarHBondContact O-N 3.17Å
411L89.6Confident87.3Confident23 Ų2365.6 Ų65.612%0.1237%0.367CS..Hα-helixtrans-59.9-41.1-179.2-76.8170.3000112.5F360 V363 Y364 L407 D408 Q413 M414F360-L411 HydrophobicContact CD2-CD2 4.09Å; F360-L411 HydrophobicContact CE2-CD2 3.83Å; F360-L411 HydrophobicContact CZ-CD2 4.08Å; V363-L411 HydrophobicContact CB-CD2 3.96Å; V363-L411 HydrophobicContact CG1-CD2 3.6Å; V363-L411 HydrophobicContact CG1-CG 3.84Å; Y364-L411 HydrophobicContact CD2-CD1 4.27Å; L407-L411 HydrophobicContact CD2-CD1 4.49Å; L407-L411 HydrophobicContact CG-CD1 3.97Å; L407-L411 HydrophobicContact CG-CG 4.45Å; L407-L411 WeakPolarHBondContact O-CB 3.45Å; L407-L411 WeakPolarHBondContact O-CG 3.21Å; L407-L411 PolarHBondContact O-N 3.23Å; D408-L411 PolarHBondContact O-N 3.08Å; L411-Q413 PolarHBondContact O-N 3.24Å; L411-Q413 VanDerWaalsContact O-N 3.14Å; L411-M414 PolarHBondContact O-N 2.82Å; L411-M414 VanDerWaalsContact O-N 3.11Å
412T87.4Confident86.7Confident100 Ų10066.5 Ų66.561%0.61338%0.377SS*.THydrogen-bonded Turntrans-60.6-21.1176.346.40000113.6D408 K409 V410D408-T412 WeakPolarHBondContact O-CB 3.18Å; D408-T412 VanDerWaalsContact O-CG2 3.29Å; D408-T412 WeakPolarHBondContact O-CG2 3.21Å; D408-T412 PolarHBondContact O-N 3.09Å; D408-T412 PolarHBondContact O-OG1 2.87Å; K409-T412 WeakPolarHBondContact CA-OG1 3.49Å; K409-T412 PolarHBondContact O-OG1 2.92Å; V410-T412 VanDerWaalsContact C-N 3.32Å; V410-T412 PolarHBondContact O-N 2.98Å
413Q85.9Confident86.3Confident65 Ų6572.5 Ų72.530%0.30442%0.419SS..THydrogen-bonded Turntrans-97.2-14.6177.4-64.2-177.816.200113.7V140 V224 K409 V410 L411V140-Q413 HydrophobicContact CB-CB 4.28Å; V140-Q413 HydrophobicContact CG1-CB 3.9Å; V224-Q413 VanDerWaalsContact CG2-CD 3.48Å; K409-Q413 WeakPolarHBondContact O-CG 3.31Å; V410-Q413 PolarHBondContact O-N 3.42Å; L411-Q413 PolarHBondContact O-N 3.24Å; L411-Q413 VanDerWaalsContact O-N 3.14Å
414M81.4Confident85.6Confident20 Ų2078.6 Ų78.610%0.09946%0.455CS..SBendtrans-86.11-175.9-74.3-169.875.700114.8V140 V356 G359 F360 V363 V410 L411V140-M414 HydrophobicContact CG1-CG 3.56Å; V356-M414 HydrophobicContact CG1-CE 4.31Å; V356-M414 HydrophobicContact CG1-SD 4.4Å; V356-M414 HydrophobicContact CG2-SD 4.23Å; V356-M414 WeakPolarHBondContact O-CE 3.36Å; G359-M414 VanDerWaalsContact C-CE 3.48Å; F360-M414 HydrophobicContact CD2-CB 4.22Å; V363-M414 HydrophobicContact CB-SD 3.96Å; V363-M414 HydrophobicContact CG1-SD 4.17Å; V363-M414 HydrophobicContact CG2-CE 4.02Å; V363-M414 HydrophobicContact CG2-SD 3.53Å; V363-M414 VanDerWaalsContact CG2-SD 3.53Å; V410-M414 HydrophobicContact CG1-CG 4.31Å; V410-M414 HydrophobicContact CG1-SD 3.92Å; V410-M414 WeakPolarHBondContact O-CG 3.41Å; V410-M414 PolarHBondContact O-N 3.17Å; L411-M414 PolarHBondContact O-N 2.82Å; L411-M414 VanDerWaalsContact O-N 3.11Å
415G79.2Confident84Confident47 Ų4783.3 Ų83.349%0.48549%0.493SS..  trans75-152.9-176.700000112.8F360F360-G415 VanDerWaalsContact CD2-O 3.31Å; F360-G415 WeakPolarHBondContact CD2-O 3.32Å; F360-G415 WeakPolarHBondContact CE2-O 3.37Å
416S78.4Confident83.5Confident100 Ų10083.7 Ų83.770%0.69950%0.499SS*.  trans-109.5158.5-176.158.90000112.4
417P79.9Confident83Confident62 Ų6287.9 Ų87.940%0.40353%0.525SS..  trans-52.6147.7172-22.730.9000112.7F360 I419F360-P417 HydrophobicContact CD1-CB 4.42Å; F360-P417 HydrophobicContact CD1-CG 3.69Å; F360-P417 HydrophobicContact CE1-CG 3.62Å; F360-P417 HydrophobicContact CG-CG 4.46Å; F360-P417 HydrophobicContact CZ-CG 4.33Å; P417-I419 VanDerWaalsContact C-N 3.28Å; P417-I419 PolarHBondContact O-N 3.4Å
418S77.1Confident82.4Confident124 Ų12492.7 Ų92.787%0.86755%0.553SS**SBendtrans-66.6-30177.2530000113
419I80.1Confident81.9Confident145 Ų14592.4 Ų92.474%0.74456%0.555SS**SBendtrans-91.1117179-56.3174.7000108.9P417P417-I419 VanDerWaalsContact C-N 3.28Å; P417-I419 PolarHBondContact O-N 3.4Å
420R82.1Confident81.4Confident237 Ų23794.3 Ų94.389%0.89457%0.573SS**PPolyproline II helixtrans-72.4134.2173.3-65-173.6-177.4-178.61.9110
421C82.9Confident80.8Confident123 Ų123100.6 Ų100.683%0.83161%0.612SS**PPolyproline II helixtrans-80.3134.8172.4-165.10000109.7
422S83.5Confident80.2Confident55 Ų55106.1 Ų106.139%0.38565%0.647SS.*PPolyproline II helixtrans-78.5139.21741560000109.9V424 S425S422-V424 PolarHBondContact O-N 3.5Å; S422-V424 WeakPolarHBondContact OG-CG2 3.44Å; S422-V424 PolarHBondContact OG-N 3.23Å; S422-V424 VanDerWaalsContact OG-N 3.13Å; S422-S425 VanDerWaalsContact CB-OG 3.27Å; S422-S425 WeakPolarHBondContact CB-OG 3.5Å; S422-S425 PolarHBondContact O-OG 2.95Å; S422-S425 PolarHBondContact OG-N 2.69Å; S422-S425 PolarHBondContact OG-OG 3.43Å
423S85.4Confident79.7Confident127 Ų127106.6 Ų106.689%0.88865%0.649SS**SBendtrans-79.6-3.6175.454.50000113.8
424V79Confident79.1Confident132 Ų132110.1 Ų110.180%0.868%0.678SS**  trans-121.1-0.7-172.7-61.30000114.3S422S422-V424 PolarHBondContact O-N 3.5Å; S422-V424 WeakPolarHBondContact OG-CG2 3.44Å; S422-V424 PolarHBondContact OG-N 3.23Å; S422-V424 VanDerWaalsContact OG-N 3.13Å
425S60.5Low78.9Confident149 Ų149118.3 Ų118.3100%1.04273%0.731SS**  trans-920-175.847.10000113.7S422S422-S425 VanDerWaalsContact CB-OG 3.27Å; S422-S425 WeakPolarHBondContact CB-OG 3.5Å; S422-S425 PolarHBondContact O-OG 2.95Å; S422-S425 PolarHBondContact OG-N 2.69Å; S422-S425 PolarHBondContact OG-OG 3.43Å

Retrieved 425 of 425 residues in 1807.7 ms (Link to these results)

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