A0A087XBK6_POEFO Loading...

Motile sperm domain containing 2

AlphaFold DB , UniProt , Accession A0A087XBK6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 519 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.5Very low56.3Low244 Ų244136.3 Ų136.3100%1.20271%0.714SS**  093.50-150.6179.5101.900107
2A45.9Very low59.2Low98 Ų98131.3 Ų131.381%0.8169%0.689SS**  trans-160.270-176.200000108.4
3E47.4Very low61.7Low187 Ų187124 Ų12487%0.87465%0.651SS**  trans-114.346.6-179.7-67.6178.7131.300110
4H48.6Very low64.1Low157 Ų157121.9 Ų121.973%0.72764%0.636SS**  trans-130.827.4-163.4-126.6-43.9000115.8
5E50.8Low66.3Low176 Ų176121.5 Ų121.582%0.82263%0.627SS**SBendtrans-113.4-26.8-179.9-66.9-171149.300117
6P54Low68.2Low102 Ų102116.4 Ų116.466%0.66260%0.599SS**Hα-helixtrans-63.9-49.4-180-2434000114.2Q8 G9 E10P6-Q8 PolarHBondContact O-N 3.44Å; P6-G9 PolarHBondContact O-N 3.42Å; P6-E10 PolarHBondContact O-N 3.37Å
7Q55.6Low70Confident122 Ų122109.9 Ų109.957%0.5757%0.565SS**Hα-helixtrans-63.9-25.7-172.6-70.8179.1-17.200113.8Q11Q7-Q11 WeakPolarHBondContact O-CB 3.28Å; Q7-Q11 VanDerWaalsContact O-CG 3.27Å; Q7-Q11 WeakPolarHBondContact O-CG 3.48Å; Q7-Q11 PolarHBondContact O-N 2.65Å
8Q56.3Low71.5Confident125 Ų125107.7 Ų107.758%0.58456%0.557SS**Hα-helixtrans-75.5-35.1-178.3-173.562.241.700112P6 D12P6-Q8 PolarHBondContact O-N 3.44Å; Q8-D12 PolarHBondContact O-N 3.43Å
9G71.7Confident72.9Confident46 Ų46106.1 Ų106.147%0.47455%0.547SS..Hα-helixtrans-72.9-42.1176.400000112.4P6 Q11 D12 L13P6-G9 PolarHBondContact O-N 3.42Å; G9-Q11 PolarHBondContact O-N 3.47Å; G9-D12 PolarHBondContact O-N 3.4Å; G9-D12 VanDerWaalsContact O-N 3.14Å; G9-L13 PolarHBondContact O-N 3.02Å
10E73.6Confident74.2Confident140 Ų140100.8 Ų100.865%0.65452%0.52SS*.Hα-helixtrans-60.8-44176.3-167.2173.4-161.500111.6P6 D12 L13 E14P6-E10 PolarHBondContact O-N 3.37Å; E10-D12 VanDerWaalsContact C-N 3.31Å; E10-D12 PolarHBondContact O-N 2.96Å; E10-L13 PolarHBondContact O-N 3.24Å; E10-E14 PolarHBondContact O-N 2.87Å; E10-E14 VanDerWaalsContact O-N 3.07Å
11Q76.4Confident75.3Confident102 Ų10298.2 Ų98.248%0.47750%0.503SS..Hα-helixtrans-69.3-20174.5-73.9-177.526.300114.9Q7 G9 K15Q7-Q11 WeakPolarHBondContact O-CB 3.28Å; Q7-Q11 VanDerWaalsContact O-CG 3.27Å; Q7-Q11 WeakPolarHBondContact O-CG 3.48Å; Q7-Q11 PolarHBondContact O-N 2.65Å; G9-Q11 PolarHBondContact O-N 3.47Å; Q11-K15 WeakPolarHBondContact O-CD 3.32Å; Q11-K15 VanDerWaalsContact O-CE 3.22Å; Q11-K15 WeakPolarHBondContact O-CE 3.47Å; Q11-K15 VanDerWaalsContact O-CG 3.23Å; Q11-K15 WeakPolarHBondContact O-CG 3.21Å; Q11-K15 PolarHBondContact O-NZ 3.23Å
12D91.1Very high78.1Confident76 Ų7692.2 Ų92.241%0.40647%0.472SS..Hα-helixtrans-82.2-39.3173.3-170.361.6000111.1Q8 G9 E10 K15 K16Q8-D12 PolarHBondContact O-N 3.43Å; G9-D12 PolarHBondContact O-N 3.4Å; G9-D12 VanDerWaalsContact O-N 3.14Å; E10-D12 VanDerWaalsContact C-N 3.31Å; E10-D12 PolarHBondContact O-N 2.96Å; D12-K15 PolarHBondContact O-N 2.99Å; D12-K16 WeakPolarHBondContact O-CG 3.47Å; D12-K16 PolarHBondContact O-N 2.89Å; D12-K16 VanDerWaalsContact O-N 3.09Å; D12-K16 WeakPolarHBondContact OD2-CE 3.27Å
13L92.7Very high80.6Confident37 Ų3790 Ų9019%0.19444%0.443CS..Hα-helixtrans-60.5-49.8174.3176.456.4000111.7G9 E10 K15 K16 I17 E52 L55 Y60G9-L13 PolarHBondContact O-N 3.02Å; E10-L13 PolarHBondContact O-N 3.24Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 2.94Å; L13-K16 WeakPolarHBondContact O-CB 3.37Å; L13-K16 PolarHBondContact O-N 2.73Å; L13-I17 HydrophobicContact CD1-CD1 3.99Å; L13-I17 HydrophobicContact CD1-CG1 4.1Å; L13-I17 HydrophobicContact CG-CD1 3.96Å; L13-I17 HydrophobicContact CG-CG1 4.49Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.26Å; L13-E52 HydrophobicContact CD1-CG 4.1Å; L13-E52 HydrophobicContact CD2-CG 3.97Å; L13-L55 HydrophobicContact CD1-CD1 3.99Å; L13-Y60 HydrophobicContact CD1-CD1 4.29Å; L13-Y60 HydrophobicContact CD1-CE1 3.97Å
14E95.1Very high82.9Confident95 Ų9581.1 Ų81.144%0.44440%0.402SS..Hα-helixtrans-56.2-45.7179179.855.5-15200111.6E10 K16 I17 V18E10-E14 PolarHBondContact O-N 2.87Å; E10-E14 VanDerWaalsContact O-N 3.07Å; E14-K16 VanDerWaalsContact C-N 3.3Å; E14-K16 PolarHBondContact O-N 2.78Å; E14-I17 PolarHBondContact O-N 2.71Å; E14-V18 WeakPolarHBondContact O-CG2 3.5Å; E14-V18 PolarHBondContact O-N 3.24Å
15K96.6Very high85.1Confident116 Ų11679 Ų7950%0.50439%0.39SS..Hα-helixtrans-59.6-40176-71.8166.8-164.6150.80112.1Q11 D12 L13 V18 E19Q11-K15 WeakPolarHBondContact O-CD 3.32Å; Q11-K15 VanDerWaalsContact O-CE 3.22Å; Q11-K15 WeakPolarHBondContact O-CE 3.47Å; Q11-K15 VanDerWaalsContact O-CG 3.23Å; Q11-K15 WeakPolarHBondContact O-CG 3.21Å; Q11-K15 PolarHBondContact O-NZ 3.23Å; D12-K15 PolarHBondContact O-N 2.99Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 2.94Å; K15-V18 PolarHBondContact O-N 2.92Å; K15-E19 WeakPolarHBondContact O-CB 3.39Å; K15-E19 PolarHBondContact O-N 3.24Å
16K97.5Very high87.1Confident40 Ų4074.9 Ų74.917%0.17437%0.374CS..Hα-helixtrans-69.4-37.6177.4-71.6168.4179.3-69.30112.3D12 L13 E14 E19 I20 L55 Y60D12-K16 WeakPolarHBondContact O-CG 3.47Å; D12-K16 PolarHBondContact O-N 2.89Å; D12-K16 VanDerWaalsContact O-N 3.09Å; D12-K16 WeakPolarHBondContact OD2-CE 3.27Å; L13-K16 WeakPolarHBondContact O-CB 3.37Å; L13-K16 PolarHBondContact O-N 2.73Å; E14-K16 VanDerWaalsContact C-N 3.3Å; E14-K16 PolarHBondContact O-N 2.78Å; K16-E19 PolarHBondContact O-N 2.98Å; K16-I20 WeakPolarHBondContact O-CB 3.26Å; K16-I20 VanDerWaalsContact O-CG1 3.22Å; K16-I20 WeakPolarHBondContact O-CG1 3.24Å; K16-I20 PolarHBondContact O-N 3.42Å; K16-L55 HydrophobicContact CB-CD1 3.92Å; K16-L55 HydrophobicContact CB-CD2 4.19Å; K16-Y60 HydrophobicContact CD-CD1 4.48Å; K16-Y60 PolarHBondContact NZ-O 3.19Å
17I97.6Very high89.1Confident5 Ų575 Ų753%0.02637%0.365CS..Hα-helixtrans-62.8-46.8174.4-68.4171000110L13 E14 I20 R21 D48 V51 E52 L55L13-I17 HydrophobicContact CD1-CD1 3.99Å; L13-I17 HydrophobicContact CD1-CG1 4.1Å; L13-I17 HydrophobicContact CG-CD1 3.96Å; L13-I17 HydrophobicContact CG-CG1 4.49Å; L13-I17 WeakPolarHBondContact O-CG1 3.43Å; L13-I17 PolarHBondContact O-N 3.26Å; E14-I17 PolarHBondContact O-N 2.71Å; I17-I20 PolarHBondContact O-N 3.4Å; I17-R21 PolarHBondContact O-N 2.88Å; I17-D48 HydrophobicContact CD1-CB 4.33Å; I17-V51 HydrophobicContact CB-CG1 4.29Å; I17-V51 HydrophobicContact CG1-CB 4.39Å; I17-V51 HydrophobicContact CG1-CG1 4.07Å; I17-V51 HydrophobicContact CG2-CB 4.22Å; I17-V51 HydrophobicContact CG2-CG1 4.12Å; I17-E52 HydrophobicContact CD1-CB 4.46Å; I17-L55 HydrophobicContact CG1-CD1 3.77Å
18V97.7Very high90.8Very high70 Ų7070.5 Ų70.542%0.42435%0.345SS..Hα-helixtrans-60.5-45.1174.7173.40000111.7E14 K15 R21 Q22E14-V18 WeakPolarHBondContact O-CG2 3.5Å; E14-V18 PolarHBondContact O-N 3.24Å; K15-V18 PolarHBondContact O-N 2.92Å; V18-R21 PolarHBondContact O-N 2.82Å; V18-Q22 WeakPolarHBondContact O-CB 3.32Å; V18-Q22 PolarHBondContact O-N 3.34Å
19E98Very high92.5Very high78 Ų7865.8 Ų65.836%0.36432%0.324SS..Hα-helixtrans-60.3-46.5176.5-171.3-173.3162.300111.5K15 K16 R21 Q22 R23 V62K15-E19 WeakPolarHBondContact O-CB 3.39Å; K15-E19 PolarHBondContact O-N 3.24Å; K16-E19 PolarHBondContact O-N 2.98Å; E19-R21 PolarHBondContact O-N 2.71Å; E19-Q22 PolarHBondContact O-N 3.2Å; E19-R23 HydrophobicContact CG-CG 4.22Å; E19-R23 WeakPolarHBondContact O-CB 3.44Å; E19-R23 WeakPolarHBondContact O-CG 3.05Å; E19-R23 PolarHBondContact O-N 3.1Å; E19-R23 IonicContact OE1-NH1 3.23Å; E19-V62 HydrophobicContact CG-CG1 4.23Å
20I98.3Very high93Very high0 Ų071 Ų710%033%0.334CS..Hα-helixtrans-57.7-48.4177.1-71.5-71.1000110.8K16 I17 Q22 R23 F24 V51 L55 V62 T65 L66 I69K16-I20 WeakPolarHBondContact O-CB 3.26Å; K16-I20 VanDerWaalsContact O-CG1 3.22Å; K16-I20 WeakPolarHBondContact O-CG1 3.24Å; K16-I20 PolarHBondContact O-N 3.42Å; I17-I20 PolarHBondContact O-N 3.4Å; I20-Q22 PolarHBondContact O-N 3.3Å; I20-R23 PolarHBondContact O-N 3.02Å; I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 2.76Å; I20-V51 HydrophobicContact CB-CG1 3.9Å; I20-V51 HydrophobicContact CG1-CG1 4.29Å; I20-V51 HydrophobicContact CG2-CG1 3.68Å; I20-L55 HydrophobicContact CD1-CD2 4.31Å; I20-L55 HydrophobicContact CG1-CD1 4.44Å; I20-L55 HydrophobicContact CG1-CD2 3.97Å; I20-L55 HydrophobicContact CG1-CG 4.31Å; I20-V62 HydrophobicContact CD1-CB 4.32Å; I20-V62 HydrophobicContact CD1-CG1 3.6Å; I20-V62 HydrophobicContact CG1-CG1 4.32Å; I20-T65 HydrophobicContact CD1-CG2 3.56Å; I20-T65 HydrophobicContact CG1-CG2 4.19Å; I20-L66 HydrophobicContact CD1-CD2 4.04Å; I20-L66 HydrophobicContact CD1-CG 3.77Å; I20-L66 HydrophobicContact CG2-CD2 4.23Å; I20-I69 HydrophobicContact CG2-CD1 3.66Å
21R97.8Very high93Very high47 Ų4771.4 Ų71.418%0.17734%0.34CS..Hα-helixtrans-61.8-45.3178.9-73.7177.3174.2143.90.3112I17 V18 E19 K25 I44 E45 D48I17-R21 PolarHBondContact O-N 2.88Å; V18-R21 PolarHBondContact O-N 2.82Å; E19-R21 PolarHBondContact O-N 2.71Å; R21-K25 WeakPolarHBondContact O-CB 3.41Å; R21-K25 PolarHBondContact O-N 3.32Å; R21-I44 PolarHBondContact NE-O 2.76Å; R21-E45 PolarHBondContact NE-O 3.06Å; R21-D48 IonicContact CZ-OD1 2.69Å; R21-D48 IonicContact NH1-OD1 3.85Å; R21-D48 PolarHBondContact NH1-OD1 3.5Å; R21-D48 IonicContact NH2-OD1 3.46Å; R21-D48 PolarHBondContact NH2-OD1 3.32Å
22Q97.4Very high93.3Very high118 Ų11869 Ų6955%0.55134%0.335SS*.Hα-helixtrans-62.1-45.4178.3-177.8175.9-2.400111.7V18 E19 I20 K25 N26V18-Q22 WeakPolarHBondContact O-CB 3.32Å; V18-Q22 PolarHBondContact O-N 3.34Å; E19-Q22 PolarHBondContact O-N 3.2Å; I20-Q22 PolarHBondContact O-N 3.3Å; Q22-K25 PolarHBondContact O-N 2.92Å; Q22-N26 WeakPolarHBondContact CG-ND2 3.41Å; Q22-N26 WeakPolarHBondContact O-CB 3.4Å; Q22-N26 PolarHBondContact O-N 2.78Å; Q22-N26 PolarHBondContact O-ND2 3.41Å; Q22-N26 VanDerWaalsContact O-ND2 3.12Å
23R97.5Very high92.7Very high51 Ų5171.7 Ų71.719%0.19235%0.354CS..Hα-helixtrans-71.4-41179.7-69.1-172.564.1-163.2-12.9112.2E19 I20 K25 N26 E27 D63 L66E19-R23 HydrophobicContact CG-CG 4.22Å; E19-R23 WeakPolarHBondContact O-CB 3.44Å; E19-R23 WeakPolarHBondContact O-CG 3.05Å; E19-R23 PolarHBondContact O-N 3.1Å; E19-R23 IonicContact OE1-NH1 3.23Å; I20-R23 PolarHBondContact O-N 3.02Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.43Å; R23-N26 PolarHBondContact O-N 2.94Å; R23-E27 WeakPolarHBondContact CB-OE1 3.42Å; R23-E27 WeakPolarHBondContact CG-OE1 3.5Å; R23-E27 IonicContact CZ-OE1 2.84Å; R23-E27 IonicContact CZ-OE2 3.31Å; R23-E27 IonicContact NE-OE1 3.89Å; R23-E27 PolarHBondContact NE-OE1 2.84Å; R23-E27 IonicContact NE-OE2 3.6Å; R23-E27 IonicContact NH2-OE1 3.37Å; R23-E27 PolarHBondContact NH2-OE1 2.72Å; R23-E27 IonicContact NH2-OE2 2.76Å; R23-E27 PolarHBondContact NH2-OE2 3.12Å; R23-E27 VanDerWaalsContact O-CB 3.23Å; R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 PolarHBondContact O-N 3.2Å; R23-D63 IonicContact CZ-OD1 2.82Å; R23-D63 IonicContact NH1-OD1 2.72Å; R23-D63 PolarHBondContact NH1-OD1 2.9Å; R23-D63 IonicContact NH2-OD1 3.42Å; R23-D63 PolarHBondContact NH2-OD1 3.39Å; R23-L66 HydrophobicContact CB-CD1 3.64Å; R23-L66 HydrophobicContact CB-CD2 4.17Å; R23-L66 HydrophobicContact CG-CD1 4.45Å; R23-L66 VanDerWaalsContact CZ-CD1 3.45Å
24F96.4Very high92.5Very high1 Ų175.7 Ų75.70%0.00438%0.376CS..Iπ-helixtrans-54.1-47172.1176.9-101.8000111.4I20 L28 L29 Y36 V41 I44 L66 I69 L73I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 2.76Å; F24-L28 HydrophobicContact CD2-CB 4.15Å; F24-L28 HydrophobicContact CD2-CD1 3.75Å; F24-L28 HydrophobicContact CE2-CB 4.48Å; F24-L28 HydrophobicContact CE2-CD1 4.37Å; F24-L28 WeakPolarHBondContact O-CA 3.35Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 PolarHBondContact O-N 3.12Å; F24-L29 HydrophobicContact CD1-CD1 4.05Å; F24-L29 HydrophobicContact CD1-CG 4.34Å; F24-L29 HydrophobicContact CE1-CD1 3.68Å; F24-L29 HydrophobicContact CE1-CD2 4.41Å; F24-L29 HydrophobicContact CE1-CG 3.94Å; F24-L29 HydrophobicContact CZ-CD1 4.46Å; F24-L29 HydrophobicContact CZ-CD2 4.41Å; F24-L29 HydrophobicContact CZ-CG 4.29Å; F24-L29 PolarHBondContact O-N 3.5Å; F24-L29 VanDerWaalsContact O-N 3.1Å; F24-Y36 HydrophobicContact CE2-CD2 4.08Å; F24-Y36 AromaticContact CE2-CE2 3.53Å; F24-Y36 HydrophobicContact CE2-CE2 3.53Å; F24-Y36 AromaticContact CZ-CD2 3.74Å; F24-Y36 HydrophobicContact CZ-CD2 3.74Å; F24-Y36 AromaticContact CZ-CE2 3.64Å; F24-Y36 HydrophobicContact CZ-CE2 3.64Å; F24-V41 HydrophobicContact CE1-CG1 4.31Å; F24-V41 HydrophobicContact CE1-CG2 4.45Å; F24-V41 HydrophobicContact CZ-CG2 4.29Å; F24-I44 HydrophobicContact CD1-CG2 3.85Å; F24-I44 HydrophobicContact CE1-CB 4.32Å; F24-I44 HydrophobicContact CE1-CG2 4.05Å; F24-I44 HydrophobicContact CG-CG2 4.12Å; F24-L66 HydrophobicContact CB-CD2 4.1Å; F24-I69 HydrophobicContact CD2-CG2 3.84Å; F24-I69 HydrophobicContact CE2-CG2 3.75Å; F24-L73 HydrophobicContact CE2-CD1 3.86Å; F24-L73 HydrophobicContact CZ-CD1 3.69Å
25K94.7Very high92.4Very high111 Ų11173.8 Ų73.848%0.48337%0.366SS..Iπ-helixtrans-64.2-43.7176.7-165.9166.8-161.81340113.3R21 Q22 R23 E45R21-K25 WeakPolarHBondContact O-CB 3.41Å; R21-K25 PolarHBondContact O-N 3.32Å; Q22-K25 PolarHBondContact O-N 2.92Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.43Å; K25-E45 IonicContact NZ-OE1 2.75Å; K25-E45 PolarHBondContact NZ-OE1 3.26Å
26N94.1Very high92.5Very high90 Ų9068.4 Ų68.448%0.48134%0.343SS..Iπ-helixtrans-86-23.8-172.7-67.7-25.3000115Q22 R23 K30Q22-N26 WeakPolarHBondContact CG-ND2 3.41Å; Q22-N26 WeakPolarHBondContact O-CB 3.4Å; Q22-N26 PolarHBondContact O-N 2.78Å; Q22-N26 PolarHBondContact O-ND2 3.41Å; Q22-N26 VanDerWaalsContact O-ND2 3.12Å; R23-N26 PolarHBondContact O-N 2.94Å; N26-K30 WeakPolarHBondContact O-CB 3.3Å; N26-K30 WeakPolarHBondContact O-CD 3.4Å
27E94.3Very high92.4Very high104 Ų10467.4 Ų67.449%0.48634%0.339SS..Iπ-helixtrans-110-35.4-175.8-64.9166.9-143.500112.2R23R23-E27 WeakPolarHBondContact CB-OE1 3.42Å; R23-E27 WeakPolarHBondContact CG-OE1 3.5Å; R23-E27 IonicContact CZ-OE1 2.84Å; R23-E27 IonicContact CZ-OE2 3.31Å; R23-E27 IonicContact NE-OE1 3.89Å; R23-E27 PolarHBondContact NE-OE1 2.84Å; R23-E27 IonicContact NE-OE2 3.6Å; R23-E27 IonicContact NH2-OE1 3.37Å; R23-E27 PolarHBondContact NH2-OE1 2.72Å; R23-E27 IonicContact NH2-OE2 2.76Å; R23-E27 PolarHBondContact NH2-OE2 3.12Å; R23-E27 VanDerWaalsContact O-CB 3.23Å; R23-E27 WeakPolarHBondContact O-CB 3.48Å; R23-E27 PolarHBondContact O-N 3.2Å
28L92.8Very high92.4Very high29 Ų2971.7 Ų71.715%0.15237%0.369CS..Iπ-helixtrans-107.6-30.3-169.7-63.2176.2000114.3F24 K35 Y36 L66 D70F24-L28 HydrophobicContact CD2-CB 4.15Å; F24-L28 HydrophobicContact CD2-CD1 3.75Å; F24-L28 HydrophobicContact CE2-CB 4.48Å; F24-L28 HydrophobicContact CE2-CD1 4.37Å; F24-L28 WeakPolarHBondContact O-CA 3.35Å; F24-L28 WeakPolarHBondContact O-CB 3.35Å; F24-L28 PolarHBondContact O-N 3.12Å; L28-K35 WeakPolarHBondContact O-CD 3.32Å; L28-Y36 HydrophobicContact CB-CE2 4.3Å; L28-L66 HydrophobicContact CD1-CB 4.49Å; L28-L66 HydrophobicContact CD1-CD2 4.3Å; L28-D70 HydrophobicContact CD1-CB 4.1Å; L28-D70 HydrophobicContact CD2-CB 4.26Å
29L90.6Very high92.4Very high25 Ų2572.9 Ų72.913%0.13137%0.366CS..SBendtrans-93.6-16.7175.2-71178.8000114.5F24 D31 S32 Y36 V41F24-L29 HydrophobicContact CD1-CD1 4.05Å; F24-L29 HydrophobicContact CD1-CG 4.34Å; F24-L29 HydrophobicContact CE1-CD1 3.68Å; F24-L29 HydrophobicContact CE1-CD2 4.41Å; F24-L29 HydrophobicContact CE1-CG 3.94Å; F24-L29 HydrophobicContact CZ-CD1 4.46Å; F24-L29 HydrophobicContact CZ-CD2 4.41Å; F24-L29 HydrophobicContact CZ-CG 4.29Å; F24-L29 PolarHBondContact O-N 3.5Å; F24-L29 VanDerWaalsContact O-N 3.1Å; L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.44Å; L29-S32 CarbonylContact O-C 3.59Å; L29-S32 PolarHBondContact O-N 3.22Å; L29-Y36 HydrophobicContact CD2-CD2 3.62Å; L29-Y36 HydrophobicContact CD2-CE2 3.91Å; L29-V41 HydrophobicContact CD1-CG1 3.91Å; L29-V41 HydrophobicContact CD2-CG2 4.04Å
30K81.9Confident92.3Very high157 Ų15769.3 Ų69.368%0.68335%0.349SS*.THydrogen-bonded Turntrans-53.8-42.3-167.2-176.5-176.9175.1-173.80114.8N26N26-K30 WeakPolarHBondContact O-CB 3.3Å; N26-K30 WeakPolarHBondContact O-CD 3.4Å
31D75.3Confident92.2Very high147 Ų14770.3 Ų70.379%0.78636%0.356SS*.THydrogen-bonded Turntrans-100.5-8.4-171.6-59.2-27.5000113.2L29L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.44Å
32S81.6Confident92.2Very high53 Ų5372.8 Ų72.837%0.37137%0.369SS..  trans-162116.3174.5-178.50000112.2L29 D34 K35L29-S32 CarbonylContact O-C 3.59Å; L29-S32 PolarHBondContact O-N 3.22Å; S32-D34 PolarHBondContact O-N 2.92Å; S32-D34 PolarHBondContact OG-N 3.11Å; S32-K35 WeakPolarHBondContact O-CB 3.31Å; S32-K35 PolarHBondContact O-N 3.24Å; S32-K35 PolarHBondContact OG-N 3.42Å
33T78Confident92.1Very high132 Ų13270.6 Ų70.681%0.8136%0.356SS*.THydrogen-bonded Turntrans-70.7-17.7168.950.30000112.8
34D88.4Confident92.1Very high120 Ų12068.2 Ų68.264%0.64235%0.347SS*.THydrogen-bonded Turntrans-9517.9175.1-168.145.3000112.3S32 K77S32-D34 PolarHBondContact O-N 2.92Å; S32-D34 PolarHBondContact OG-N 3.11Å; D34-K77 VanDerWaalsContact CG-NZ 3.33Å; D34-K77 PolarHBondContact O-NZ 3.26Å; D34-K77 IonicContact OD1-NZ 2.7Å; D34-K77 PolarHBondContact OD1-NZ 3.08Å; D34-K77 IonicContact OD2-NZ 3.22Å
35K94.8Very high92Very high56 Ų5672.1 Ų72.124%0.24337%0.365CS..SBendtrans-68.1-36.2174-168.3179.8173.4-165.70112.4L28 S32 D70 L74L28-K35 WeakPolarHBondContact O-CD 3.32Å; S32-K35 WeakPolarHBondContact O-CB 3.31Å; S32-K35 PolarHBondContact O-N 3.24Å; S32-K35 PolarHBondContact OG-N 3.42Å; K35-D70 WeakPolarHBondContact CE-OD1 3.38Å; K35-D70 IonicContact NZ-OD1 2.91Å; K35-D70 PolarHBondContact NZ-OD1 3.39Å; K35-D70 IonicContact NZ-OD2 3.7Å; K35-D70 PolarHBondContact NZ-OD2 3.22Å; K35-L74 HydrophobicContact CG-CD2 4.02Å
36Y97.2Very high92.1Very high3 Ų373 Ų731%0.01237%0.371CS..SBendtrans-122.7177.5-175.3-51-56.7000111.8F24 L28 L29 V41 D70 L73 L74 K77F24-Y36 HydrophobicContact CE2-CD2 4.08Å; F24-Y36 AromaticContact CE2-CE2 3.53Å; F24-Y36 HydrophobicContact CE2-CE2 3.53Å; F24-Y36 AromaticContact CZ-CD2 3.74Å; F24-Y36 HydrophobicContact CZ-CD2 3.74Å; F24-Y36 AromaticContact CZ-CE2 3.64Å; F24-Y36 HydrophobicContact CZ-CE2 3.64Å; L28-Y36 HydrophobicContact CB-CE2 4.3Å; L29-Y36 HydrophobicContact CD2-CD2 3.62Å; L29-Y36 HydrophobicContact CD2-CE2 3.91Å; Y36-V41 HydrophobicContact CD2-CG2 4.02Å; Y36-V41 HydrophobicContact CG-CG2 4.4Å; Y36-D70 VanDerWaalsContact CE1-OD1 3.31Å; Y36-D70 WeakPolarHBondContact CE1-OD1 3.42Å; Y36-D70 VanDerWaalsContact OH-CG 3.24Å; Y36-D70 PolarHBondContact OH-OD1 3.23Å; Y36-L73 HydrophobicContact CD1-CB 3.35Å; Y36-L73 HydrophobicContact CD1-CD1 4.31Å; Y36-L73 HydrophobicContact CD1-CG 4.47Å; Y36-L73 HydrophobicContact CD2-CD1 4.2Å; Y36-L73 HydrophobicContact CE1-CB 3.74Å; Y36-L73 HydrophobicContact CG-CB 3.87Å; Y36-L73 HydrophobicContact CG-CD1 4.03Å; Y36-L74 HydrophobicContact CD1-CD2 4.31Å; Y36-L74 HydrophobicContact CD1-CG 4.49Å; Y36-L74 HydrophobicContact CE1-CD2 4.08Å; Y36-L74 HydrophobicContact CE1-CG 4.01Å; Y36-K77 PolarHBondContact O-NZ 3.27Å
37D97Very high92.1Very high19 Ų1972.3 Ų72.310%0.10237%0.365CS..  trans-77133.8164.7-172-44.5000108.4R39 D40 V41 N82D37-R39 PolarHBondContact O-N 2.92Å; D37-R39 VanDerWaalsContact OD1-CB 3.32Å; D37-R39 WeakPolarHBondContact OD1-CB 3.14Å; D37-R39 IonicContact OD1-CZ 2.73Å; D37-R39 PolarHBondContact OD1-N 3.3Å; D37-R39 IonicContact OD1-NE 3.72Å; D37-R39 PolarHBondContact OD1-NE 2.81Å; D37-R39 IonicContact OD1-NH2 3.26Å; D37-R39 IonicContact OD2-CZ 2.65Å; D37-R39 IonicContact OD2-NE 3.75Å; D37-R39 PolarHBondContact OD2-NE 2.79Å; D37-R39 IonicContact OD2-NH2 3.46Å; D37-R39 PolarHBondContact OD2-NH2 3.09Å; D37-D40 PolarHBondContact O-N 2.8Å; D37-D40 VanDerWaalsContact O-N 3.12Å; D37-V41 PolarHBondContact O-N 3.1Å; D37-V41 VanDerWaalsContact O-N 3.12Å; D37-N82 PolarHBondContact OD2-ND2 2.98Å
38S96.3Very high92.1Very high95 Ų9571 Ų7166%0.66436%0.361SS*.Hα-helixtrans-61.8-30-177.9580000112.6V41 E42S38-V41 PolarHBondContact O-N 3.22Å; S38-E42 WeakPolarHBondContact O-CB 3.11Å; S38-E42 PolarHBondContact O-N 3.38Å
39R97.3Very high92Very high95 Ų9573.1 Ų73.136%0.35838%0.383SS..Hα-helixtrans-63.5-43.1175.7-65.2169.6-75.3-166.8-4110.9D37 E42 R43 D83D37-R39 PolarHBondContact O-N 2.92Å; D37-R39 VanDerWaalsContact OD1-CB 3.32Å; D37-R39 WeakPolarHBondContact OD1-CB 3.14Å; D37-R39 IonicContact OD1-CZ 2.73Å; D37-R39 PolarHBondContact OD1-N 3.3Å; D37-R39 IonicContact OD1-NE 3.72Å; D37-R39 PolarHBondContact OD1-NE 2.81Å; D37-R39 IonicContact OD1-NH2 3.26Å; D37-R39 IonicContact OD2-CZ 2.65Å; D37-R39 IonicContact OD2-NE 3.75Å; D37-R39 PolarHBondContact OD2-NE 2.79Å; D37-R39 IonicContact OD2-NH2 3.46Å; D37-R39 PolarHBondContact OD2-NH2 3.09Å; R39-E42 PolarHBondContact O-N 3.46Å; R39-R43 VanDerWaalsContact O-CG 3.24Å; R39-R43 WeakPolarHBondContact O-CG 3.35Å; R39-R43 PolarHBondContact O-N 3.03Å; R39-R43 VanDerWaalsContact O-N 3.08Å; R39-D83 IonicContact CZ-OD1 2.91Å; R39-D83 IonicContact CZ-OD2 3.22Å; R39-D83 IonicContact NH1-OD1 3.66Å; R39-D83 PolarHBondContact NH1-OD1 3.16Å; R39-D83 IonicContact NH1-OD2 3.84Å; R39-D83 IonicContact NH2-OD1 3.54Å; R39-D83 PolarHBondContact NH2-OD1 3.49Å; R39-D83 IonicContact NH2-OD2 2.8Å; R39-D83 PolarHBondContact NH2-OD2 3.19Å
40D97Very high92.1Very high2 Ų273.4 Ų73.41%0.01139%0.385CS..Hα-helixtrans-74.3-29.7179.2-70.5-49.3000112.9D37 R43 I44 L73 R76 N82D37-D40 PolarHBondContact O-N 2.8Å; D37-D40 VanDerWaalsContact O-N 3.12Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 IonicContact OD1-NH1 2.72Å; D40-I44 WeakPolarHBondContact O-CG1 3.23Å; D40-I44 PolarHBondContact O-N 3.13Å; D40-I44 VanDerWaalsContact O-N 3.1Å; D40-L73 HydrophobicContact CB-CD1 4.25Å; D40-L73 HydrophobicContact CB-CD2 3.76Å; D40-R76 IonicContact OD1-CZ 3.68Å; D40-R76 IonicContact OD1-NE 3.92Å; D40-R76 PolarHBondContact OD1-NE 3.12Å; D40-R76 IonicContact OD1-NH2 3.23Å; D40-R76 WeakPolarHBondContact OD2-CB 3.47Å; D40-R76 WeakPolarHBondContact OD2-CD 3.32Å; D40-R76 IonicContact OD2-NE 2.73Å; D40-R76 PolarHBondContact OD2-NE 3.17Å; D40-R76 VanDerWaalsContact OD2-NE 3.09Å; D40-N82 PolarHBondContact OD2-ND2 3.4Å
41V96.7Very high92.7Very high22 Ų2265.9 Ų65.913%0.13335%0.352CS..Hα-helixtrans-62.3-48.3169.9171.10000110.6F24 L29 Y36 D37 S38 R43 I44 E45F24-V41 HydrophobicContact CE1-CG1 4.31Å; F24-V41 HydrophobicContact CE1-CG2 4.45Å; F24-V41 HydrophobicContact CZ-CG2 4.29Å; L29-V41 HydrophobicContact CD1-CG1 3.91Å; L29-V41 HydrophobicContact CD2-CG2 4.04Å; Y36-V41 HydrophobicContact CD2-CG2 4.02Å; Y36-V41 HydrophobicContact CG-CG2 4.4Å; D37-V41 PolarHBondContact O-N 3.1Å; D37-V41 VanDerWaalsContact O-N 3.12Å; S38-V41 PolarHBondContact O-N 3.22Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 3.43Å; V41-I44 PolarHBondContact O-N 2.83Å; V41-I44 VanDerWaalsContact O-N 3.17Å; V41-E45 PolarHBondContact O-N 3.47Å
42E96.5Very high93.5Very high99 Ų9962.3 Ų62.346%0.46333%0.33SS..Hα-helixtrans-57.6-42.7177.2-175.6171.1-154.900111.5S38 R39 I44 E45 Q46S38-E42 WeakPolarHBondContact O-CB 3.11Å; S38-E42 PolarHBondContact O-N 3.38Å; R39-E42 PolarHBondContact O-N 3.46Å; E42-I44 PolarHBondContact O-N 3.18Å; E42-E45 CarbonylContact O-C 3.55Å; E42-E45 PolarHBondContact O-N 3.04Å; E42-E45 VanDerWaalsContact O-N 3.13Å; E42-Q46 HydrophobicContact CG-CG 4.26Å; E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.01Å; E42-Q46 PolarHBondContact OE1-NE2 3.08Å
43R95.8Very high93.9Very high72 Ų7261 Ų6127%0.27232%0.323SS..Hα-helixtrans-63.4-38.8176.4-67.1178.166.8-134-10.6113.2R39 D40 V41 E45 Q46 E47 L50R39-R43 VanDerWaalsContact O-CG 3.24Å; R39-R43 WeakPolarHBondContact O-CG 3.35Å; R39-R43 PolarHBondContact O-N 3.03Å; R39-R43 VanDerWaalsContact O-N 3.08Å; D40-R43 PolarHBondContact O-N 3.12Å; D40-R43 IonicContact OD1-NH1 2.72Å; V41-R43 VanDerWaalsContact C-N 3.29Å; V41-R43 PolarHBondContact O-N 3.43Å; R43-E45 VanDerWaalsContact C-N 3.33Å; R43-Q46 PolarHBondContact O-N 3.39Å; R43-E47 HydrophobicContact CB-CG 4.29Å; R43-E47 VanDerWaalsContact CG-OE1 3.26Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 3.78Å; R43-E47 IonicContact CZ-OE2 2.71Å; R43-E47 VanDerWaalsContact NE-CD 3.33Å; R43-E47 IonicContact NE-OE1 2.67Å; R43-E47 PolarHBondContact NE-OE1 3.38Å; R43-E47 IonicContact NE-OE2 3.95Å; R43-E47 PolarHBondContact NE-OE2 2.96Å; R43-E47 IonicContact NH2-OE1 2.99Å; R43-E47 IonicContact NH2-OE2 3.24Å; R43-E47 PolarHBondContact NH2-OE2 2.87Å; R43-E47 WeakPolarHBondContact O-CA 3.45Å; R43-E47 VanDerWaalsContact O-CB 3.25Å; R43-E47 WeakPolarHBondContact O-CB 3.27Å; R43-E47 PolarHBondContact O-N 3.38Å; R43-L50 HydrophobicContact CB-CD2 3.86Å
44I96.6Very high94.6Very high0 Ų055.1 Ų55.10%029%0.286CS..Hα-helixtrans-66.3-36172.9-66.8-65.8000111.4R21 F24 D40 V41 E42 L50 V51 Y54 I69 L73R21-I44 PolarHBondContact NE-O 2.76Å; F24-I44 HydrophobicContact CD1-CG2 3.85Å; F24-I44 HydrophobicContact CE1-CB 4.32Å; F24-I44 HydrophobicContact CE1-CG2 4.05Å; F24-I44 HydrophobicContact CG-CG2 4.12Å; D40-I44 WeakPolarHBondContact O-CG1 3.23Å; D40-I44 PolarHBondContact O-N 3.13Å; D40-I44 VanDerWaalsContact O-N 3.1Å; V41-I44 PolarHBondContact O-N 2.83Å; V41-I44 VanDerWaalsContact O-N 3.17Å; E42-I44 PolarHBondContact O-N 3.18Å; I44-L50 HydrophobicContact CD1-CD2 3.84Å; I44-L50 HydrophobicContact CD1-CG 4.17Å; I44-L50 HydrophobicContact CG1-CD2 4.46Å; I44-V51 HydrophobicContact CD1-CG2 4.44Å; I44-V51 HydrophobicContact CG2-CG2 4.44Å; I44-Y54 HydrophobicContact CD1-CE2 4.23Å; I44-I69 HydrophobicContact CD1-CD1 4.3Å; I44-I69 HydrophobicContact CD1-CG1 4.4Å; I44-I69 HydrophobicContact CD1-CG2 4Å; I44-I69 HydrophobicContact CG1-CG2 4.25Å; I44-L73 HydrophobicContact CG1-CD1 4.13Å
45E95.4Very high94.9Very high83 Ų8349.4 Ų49.439%0.38826%0.255SS..Hα-helixtrans-73.1-28.3176.6-70.7-167147.500113.5R21 K25 V41 E42 R43R21-E45 PolarHBondContact NE-O 3.06Å; K25-E45 IonicContact NZ-OE1 2.75Å; K25-E45 PolarHBondContact NZ-OE1 3.26Å; V41-E45 PolarHBondContact O-N 3.47Å; E42-E45 CarbonylContact O-C 3.55Å; E42-E45 PolarHBondContact O-N 3.04Å; E42-E45 VanDerWaalsContact O-N 3.13Å; R43-E45 VanDerWaalsContact C-N 3.33Å
46Q96.1Very high94.7Very high130 Ų13048.5 Ų48.561%0.60725%0.254SS*.Hα-helixtrans-112.7-30.1-171.8-63.2179.713.600116E42 R43E42-Q46 HydrophobicContact CG-CG 4.26Å; E42-Q46 WeakPolarHBondContact O-CB 3.25Å; E42-Q46 WeakPolarHBondContact O-CG 3.48Å; E42-Q46 PolarHBondContact O-N 3.01Å; E42-Q46 PolarHBondContact OE1-NE2 3.08Å; R43-Q46 PolarHBondContact O-N 3.39Å
47E94.8Very high94.4Very high75 Ų7551.8 Ų51.835%0.3527%0.267SS..  trans-95.398.1-174.6-62.3178.4-170.200111.6R43 A49 L50 V51R43-E47 HydrophobicContact CB-CG 4.29Å; R43-E47 VanDerWaalsContact CG-OE1 3.26Å; R43-E47 WeakPolarHBondContact CG-OE1 3.35Å; R43-E47 IonicContact CZ-OE1 3.78Å; R43-E47 IonicContact CZ-OE2 2.71Å; R43-E47 VanDerWaalsContact NE-CD 3.33Å; R43-E47 IonicContact NE-OE1 2.67Å; R43-E47 PolarHBondContact NE-OE1 3.38Å; R43-E47 IonicContact NE-OE2 3.95Å; R43-E47 PolarHBondContact NE-OE2 2.96Å; R43-E47 IonicContact NH2-OE1 2.99Å; R43-E47 IonicContact NH2-OE2 3.24Å; R43-E47 PolarHBondContact NH2-OE2 2.87Å; R43-E47 WeakPolarHBondContact O-CA 3.45Å; R43-E47 VanDerWaalsContact O-CB 3.25Å; R43-E47 WeakPolarHBondContact O-CB 3.27Å; R43-E47 PolarHBondContact O-N 3.38Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.05Å; E47-L50 HydrophobicContact CB-CB 3.72Å; E47-L50 WeakPolarHBondContact O-CB 3.42Å; E47-L50 PolarHBondContact O-N 3.03Å; E47-V51 PolarHBondContact O-N 3.36Å
48D94.6Very high94.3Very high76 Ų7653.9 Ų53.941%0.40627%0.273SS..Hα-helixtrans-58.1-45.2176.2-63.5-26.4000111.8I17 R21 L50 V51 E52I17-D48 HydrophobicContact CD1-CB 4.33Å; R21-D48 IonicContact CZ-OD1 2.69Å; R21-D48 IonicContact NH1-OD1 3.85Å; R21-D48 PolarHBondContact NH1-OD1 3.5Å; R21-D48 IonicContact NH2-OD1 3.46Å; R21-D48 PolarHBondContact NH2-OD1 3.32Å; D48-L50 PolarHBondContact O-N 2.88Å; D48-V51 PolarHBondContact O-N 3.35Å; D48-V51 VanDerWaalsContact O-N 3.08Å; D48-E52 WeakPolarHBondContact O-CB 3.26Å; D48-E52 PolarHBondContact O-N 3.5Å
49A90.3Very high94.1Very high74 Ų7456.2 Ų56.261%0.61228%0.278SS*.Hα-helixtrans-59.4-30.2179.600000113.4E47 A53E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.05Å; A49-A53 VanDerWaalsContact O-CB 3.29Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.12Å
50L91.9Very high93.9Very high31 Ų3156 Ų5616%0.16228%0.277CS..Hα-helixtrans-70.1-47.4175.1179.562.3000110.7R43 I44 E47 D48 A53 Y54R43-L50 HydrophobicContact CB-CD2 3.86Å; I44-L50 HydrophobicContact CD1-CD2 3.84Å; I44-L50 HydrophobicContact CD1-CG 4.17Å; I44-L50 HydrophobicContact CG1-CD2 4.46Å; E47-L50 HydrophobicContact CB-CB 3.72Å; E47-L50 WeakPolarHBondContact O-CB 3.42Å; E47-L50 PolarHBondContact O-N 3.03Å; D48-L50 PolarHBondContact O-N 2.88Å; L50-A53 PolarHBondContact O-N 2.98Å; L50-Y54 HydrophobicContact CD1-CD2 4.3Å; L50-Y54 HydrophobicContact CD1-CE2 3.67Å; L50-Y54 HydrophobicContact CG-CD2 4.34Å; L50-Y54 HydrophobicContact CG-CE2 3.94Å; L50-Y54 WeakPolarHBondContact O-CD2 3.33Å; L50-Y54 PolarHBondContact O-N 2.56Å
51V95.1Very high93.8Very high0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-65.5-42.3178.7-177.20000110.7I17 I20 I44 E47 D48 A53 Y54 L55I17-V51 HydrophobicContact CB-CG1 4.29Å; I17-V51 HydrophobicContact CG1-CB 4.39Å; I17-V51 HydrophobicContact CG1-CG1 4.07Å; I17-V51 HydrophobicContact CG2-CB 4.22Å; I17-V51 HydrophobicContact CG2-CG1 4.12Å; I20-V51 HydrophobicContact CB-CG1 3.9Å; I20-V51 HydrophobicContact CG1-CG1 4.29Å; I20-V51 HydrophobicContact CG2-CG1 3.68Å; I44-V51 HydrophobicContact CD1-CG2 4.44Å; I44-V51 HydrophobicContact CG2-CG2 4.44Å; E47-V51 PolarHBondContact O-N 3.36Å; D48-V51 PolarHBondContact O-N 3.35Å; D48-V51 VanDerWaalsContact O-N 3.08Å; V51-A53 PolarHBondContact O-N 3.4Å; V51-Y54 PolarHBondContact O-N 2.86Å; V51-L55 HydrophobicContact CG1-CD1 4.1Å; V51-L55 WeakPolarHBondContact O-CB 3.49Å; V51-L55 WeakPolarHBondContact O-CG 3.25Å; V51-L55 PolarHBondContact O-N 2.76Å
52E92.9Very high93.8Very high71 Ų7158.8 Ų58.833%0.33229%0.294SS..Hα-helixtrans-58-45.4172.3-174.4-169151.600111.5L13 I17 D48 Y54 L55 T56L13-E52 HydrophobicContact CD1-CG 4.1Å; L13-E52 HydrophobicContact CD2-CG 3.97Å; I17-E52 HydrophobicContact CD1-CB 4.46Å; D48-E52 WeakPolarHBondContact O-CB 3.26Å; D48-E52 PolarHBondContact O-N 3.5Å; E52-Y54 VanDerWaalsContact C-N 3.3Å; E52-Y54 PolarHBondContact O-N 3Å; E52-L55 CarbonylContact O-C 3.57Å; E52-L55 WeakPolarHBondContact O-CB 3.46Å; E52-L55 PolarHBondContact O-N 2.79Å; E52-L55 VanDerWaalsContact O-N 3.08Å; E52-T56 PolarHBondContact O-N 2.78Å; E52-T56 PolarHBondContact O-OG1 2.74Å
53A89.5Confident93.8Very high25 Ų2557.8 Ų57.821%0.20729%0.292CS..Hα-helixtrans-58.5-40.718000000112.7A49 L50 V51 W57A49-A53 VanDerWaalsContact O-CB 3.29Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.12Å; L50-A53 PolarHBondContact O-N 2.98Å; V51-A53 PolarHBondContact O-N 3.4Å; A53-W57 WeakPolarHBondContact O-CB 3.48Å; A53-W57 PolarHBondContact O-N 3.48Å
54Y93.6Very high93.9Very high10 Ų1057.7 Ų57.74%0.03930%0.297CS..Hα-helixtrans-66.7-45.9171.5-71.4-72.2000111.9I44 L50 V51 E52 W57 R58 M68 I69 S72 P180I44-Y54 HydrophobicContact CD1-CE2 4.23Å; L50-Y54 HydrophobicContact CD1-CD2 4.3Å; L50-Y54 HydrophobicContact CD1-CE2 3.67Å; L50-Y54 HydrophobicContact CG-CD2 4.34Å; L50-Y54 HydrophobicContact CG-CE2 3.94Å; L50-Y54 WeakPolarHBondContact O-CD2 3.33Å; L50-Y54 PolarHBondContact O-N 2.56Å; V51-Y54 PolarHBondContact O-N 2.86Å; E52-Y54 VanDerWaalsContact C-N 3.3Å; E52-Y54 PolarHBondContact O-N 3Å; Y54-W57 PolarHBondContact O-N 3.47Å; Y54-R58 PolarHBondContact O-N 3.45Å; Y54-R58 VanDerWaalsContact O-N 3.09Å; Y54-M68 HydrophobicContact CD1-CE 3.53Å; Y54-M68 HydrophobicContact CD1-CG 3.84Å; Y54-M68 HydrophobicContact CD1-SD 3.75Å; Y54-M68 HydrophobicContact CE1-CE 3.77Å; Y54-M68 HydrophobicContact CE1-CG 4.06Å; Y54-M68 HydrophobicContact CE1-SD 4.37Å; Y54-I69 HydrophobicContact CD1-CG1 4.11Å; Y54-I69 HydrophobicContact CD2-CD1 4.21Å; Y54-I69 HydrophobicContact CD2-CG1 3.72Å; Y54-I69 HydrophobicContact CE1-CG1 4.41Å; Y54-I69 HydrophobicContact CE2-CG1 4.05Å; Y54-I69 HydrophobicContact CG-CD1 4.37Å; Y54-I69 HydrophobicContact CG-CG1 3.77Å; Y54-S72 WeakPolarHBondContact OH-CB 3.16Å; Y54-S72 PolarHBondContact OH-OG 2.91Å; Y54-P180 HydrophobicContact CD1-CG 4.33Å; Y54-P180 HydrophobicContact CE1-CG 4.41Å
55L94.2Very high93.9Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-58.3-52.2179-81.9168.4000112L13 K16 I17 I20 V51 E52 W57 R58 L59 Y60 T65L13-L55 HydrophobicContact CD1-CD1 3.99Å; K16-L55 HydrophobicContact CB-CD1 3.92Å; K16-L55 HydrophobicContact CB-CD2 4.19Å; I17-L55 HydrophobicContact CG1-CD1 3.77Å; I20-L55 HydrophobicContact CD1-CD2 4.31Å; I20-L55 HydrophobicContact CG1-CD1 4.44Å; I20-L55 HydrophobicContact CG1-CD2 3.97Å; I20-L55 HydrophobicContact CG1-CG 4.31Å; V51-L55 HydrophobicContact CG1-CD1 4.1Å; V51-L55 WeakPolarHBondContact O-CB 3.49Å; V51-L55 WeakPolarHBondContact O-CG 3.25Å; V51-L55 PolarHBondContact O-N 2.76Å; E52-L55 CarbonylContact O-C 3.57Å; E52-L55 WeakPolarHBondContact O-CB 3.46Å; E52-L55 PolarHBondContact O-N 2.79Å; E52-L55 VanDerWaalsContact O-N 3.08Å; L55-W57 VanDerWaalsContact C-N 3.27Å; L55-W57 PolarHBondContact O-N 2.88Å; L55-R58 CarbonylContact O-C 3.57Å; L55-R58 VanDerWaalsContact O-C 3.29Å; L55-R58 PolarHBondContact O-N 2.91Å; L55-L59 PolarHBondContact O-N 2.88Å; L55-L59 VanDerWaalsContact O-N 3.08Å; L55-Y60 HydrophobicContact CB-CD1 3.93Å; L55-Y60 HydrophobicContact CB-CE1 4.27Å; L55-Y60 PolarHBondContact O-N 2.92Å; L55-T65 HydrophobicContact CD2-CG2 3.97Å; L55-T65 HydrophobicContact CG-CG2 4Å
56T90.9Very high94Very high36 Ų3654 Ų5422%0.22128%0.28CS..Hα-helixtrans-58.1-41.5178.1-39.60000111E52 R58 L59 K181E52-T56 PolarHBondContact O-N 2.78Å; E52-T56 PolarHBondContact O-OG1 2.74Å; T56-R58 PolarHBondContact O-N 3.2Å; T56-L59 PolarHBondContact O-N 3.44Å; T56-K181 VanDerWaalsContact CB-NZ 3.34Å; T56-K181 PolarHBondContact OG1-NZ 2.98Å
57W91.1Very high94.1Very high73 Ų7353.8 Ų53.828%0.27728%0.277SS..Hα-helixtrans-70.8-13.3-179-170-104.9000113.8A53 Y54 L55 M68 F175 K176 P180 K181A53-W57 WeakPolarHBondContact O-CB 3.48Å; A53-W57 PolarHBondContact O-N 3.48Å; Y54-W57 PolarHBondContact O-N 3.47Å; L55-W57 VanDerWaalsContact C-N 3.27Å; L55-W57 PolarHBondContact O-N 2.88Å; W57-M68 VanDerWaalsContact CD1-SD 3.57Å; W57-M68 HydrophobicContact CG-CE 4.2Å; W57-F175 VanDerWaalsContact CZ2-O 3.23Å; W57-F175 WeakPolarHBondContact CZ2-O 3.39Å; W57-K176 PolarHBondContact NE1-O 3.22Å; W57-P180 HydrophobicContact CB-CB 3.67Å; W57-P180 HydrophobicContact CD2-CB 3.59Å; W57-P180 HydrophobicContact CE3-CB 4.13Å; W57-P180 HydrophobicContact CG-CB 3.38Å; W57-K181 HydrophobicContact CE3-CG 3.95Å; W57-K181 VanDerWaalsContact CE3-N 3.3Å; W57-K181 HydrophobicContact CZ3-CG 4.42Å; W57-K181 VanDerWaalsContact CZ3-N 3.26Å
58R93.4Very high94.2Very high63 Ų6350.4 Ų50.424%0.23826%0.261CS..THydrogen-bonded Turntrans-113.722.4171.3-65.7-67.6179-102.4-1.7112.1Y54 L55 T56 Y60 V61 D64 T65 M68 K176Y54-R58 PolarHBondContact O-N 3.45Å; Y54-R58 VanDerWaalsContact O-N 3.09Å; L55-R58 CarbonylContact O-C 3.57Å; L55-R58 VanDerWaalsContact O-C 3.29Å; L55-R58 PolarHBondContact O-N 2.91Å; T56-R58 PolarHBondContact O-N 3.2Å; R58-Y60 PolarHBondContact O-N 3.5Å; R58-Y60 VanDerWaalsContact O-N 3.13Å; R58-V61 VanDerWaalsContact O-CB 3.27Å; R58-V61 WeakPolarHBondContact O-CB 3.35Å; R58-V61 WeakPolarHBondContact O-CG2 3.49Å; R58-V61 PolarHBondContact O-N 2.97Å; R58-D64 HydrophobicContact CB-CB 4.5Å; R58-D64 HydrophobicContact CG-CB 4.43Å; R58-T65 WeakPolarHBondContact CB-OG1 3.3Å; R58-M68 HydrophobicContact CG-SD 3.94Å; R58-M68 PolarHBondContact NE-SD 3.38Å; R58-M68 VanDerWaalsContact NE-SD 3.44Å; R58-M68 PolarHBondContact NH2-SD 3.43Å; R58-K176 PolarHBondContact NH2-O 3.31Å
59L92.2Very high94.3Very high144 Ų14446.8 Ų46.875%0.75424%0.242SC*.THydrogen-bonded Turntrans51.338.2175.9-53.1177.7000112.6L55 T56 V61L55-L59 PolarHBondContact O-N 2.88Å; L55-L59 VanDerWaalsContact O-N 3.08Å; T56-L59 PolarHBondContact O-N 3.44Å; L59-V61 PolarHBondContact O-N 2.95Å
60Y93.3Very high94.7Very high90 Ų9044.8 Ų44.835%0.35322%0.221SC..THydrogen-bonded Turntrans62.221.4-179.3-51.6-77.9000115L13 K16 L55 R58L13-Y60 HydrophobicContact CD1-CD1 4.29Å; L13-Y60 HydrophobicContact CD1-CE1 3.97Å; K16-Y60 HydrophobicContact CD-CD1 4.48Å; K16-Y60 PolarHBondContact NZ-O 3.19Å; L55-Y60 HydrophobicContact CB-CD1 3.93Å; L55-Y60 HydrophobicContact CB-CE1 4.27Å; L55-Y60 PolarHBondContact O-N 2.92Å; R58-Y60 PolarHBondContact O-N 3.5Å; R58-Y60 VanDerWaalsContact O-N 3.13Å
61V95.8Very high95Very high68 Ų6847.4 Ų47.441%0.41223%0.232SC..  trans-84.4110.1172.7-178.40000110.3R58 L59 D63 D64 T65R58-V61 VanDerWaalsContact O-CB 3.27Å; R58-V61 WeakPolarHBondContact O-CB 3.35Å; R58-V61 WeakPolarHBondContact O-CG2 3.49Å; R58-V61 PolarHBondContact O-N 2.97Å; L59-V61 PolarHBondContact O-N 2.95Å; V61-D63 PolarHBondContact O-N 3.16Å; V61-D64 HydrophobicContact CG1-CB 4.25Å; V61-D64 PolarHBondContact O-N 2.85Å; V61-T65 WeakPolarHBondContact O-CB 3.4Å; V61-T65 PolarHBondContact O-N 3.16Å; V61-T65 VanDerWaalsContact O-N 3.07Å; V61-T65 PolarHBondContact O-OG1 2.75Å
62V96.3Very high95.1Very high14 Ų1447.4 Ų47.49%0.08523%0.232CC..Hα-helixtrans-61.8-47.5-171.1-179.80000112.7E19 I20 D64 T65 L66E19-V62 HydrophobicContact CG-CG1 4.23Å; I20-V62 HydrophobicContact CD1-CB 4.32Å; I20-V62 HydrophobicContact CD1-CG1 3.6Å; I20-V62 HydrophobicContact CG1-CG1 4.32Å; V62-D64 PolarHBondContact O-N 2.99Å; V62-T65 WeakPolarHBondContact O-CB 3.38Å; V62-T65 PolarHBondContact O-N 2.79Å; V62-L66 HydrophobicContact CG1-CD1 4.08Å; V62-L66 PolarHBondContact O-N 3.22Å
63D97.3Very high95.3Very high79 Ų7944.2 Ų44.242%0.42222%0.217SC..Hα-helixtrans-62.8-40.5-177-70.4-37.4000113.1R23 V61 T65 L66 K67R23-D63 IonicContact CZ-OD1 2.82Å; R23-D63 IonicContact NH1-OD1 2.72Å; R23-D63 PolarHBondContact NH1-OD1 2.9Å; R23-D63 IonicContact NH2-OD1 3.42Å; R23-D63 PolarHBondContact NH2-OD1 3.39Å; V61-D63 PolarHBondContact O-N 3.16Å; D63-T65 VanDerWaalsContact C-N 3.33Å; D63-L66 PolarHBondContact O-N 2.79Å; D63-K67 WeakPolarHBondContact O-CE 3.43Å; D63-K67 VanDerWaalsContact O-CG 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.4Å; D63-K67 PolarHBondContact O-N 2.7Å; D63-K67 VanDerWaalsContact O-N 3.12Å
64D96.6Very high95.7Very high69 Ų6946.6 Ų46.637%0.36923%0.226SC..Hα-helixtrans-79-21.8179.8-67-25.5000112.3R58 V61 V62 K67 M68R58-D64 HydrophobicContact CB-CB 4.5Å; R58-D64 HydrophobicContact CG-CB 4.43Å; V61-D64 HydrophobicContact CG1-CB 4.25Å; V61-D64 PolarHBondContact O-N 2.85Å; V62-D64 PolarHBondContact O-N 2.99Å; D64-K67 IonicContact OD1-NZ 2.69Å; D64-K67 PolarHBondContact OD1-NZ 3.22Å; D64-M68 WeakPolarHBondContact O-CB 3.32Å; D64-M68 PolarHBondContact O-N 2.67Å
65T97Very high95.9Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-67.8-49.6167.3-55.40000110.4I20 L55 R58 V61 V62 D63 K67 M68 I69I20-T65 HydrophobicContact CD1-CG2 3.56Å; I20-T65 HydrophobicContact CG1-CG2 4.19Å; L55-T65 HydrophobicContact CD2-CG2 3.97Å; L55-T65 HydrophobicContact CG-CG2 4Å; R58-T65 WeakPolarHBondContact CB-OG1 3.3Å; V61-T65 WeakPolarHBondContact O-CB 3.4Å; V61-T65 PolarHBondContact O-N 3.16Å; V61-T65 VanDerWaalsContact O-N 3.07Å; V61-T65 PolarHBondContact O-OG1 2.75Å; V62-T65 WeakPolarHBondContact O-CB 3.38Å; V62-T65 PolarHBondContact O-N 2.79Å; D63-T65 VanDerWaalsContact C-N 3.33Å; T65-K67 PolarHBondContact O-N 3.49Å; T65-M68 PolarHBondContact O-N 2.78Å; T65-M68 VanDerWaalsContact O-N 3.15Å; T65-I69 HydrophobicContact CG2-CD1 4.01Å; T65-I69 WeakPolarHBondContact O-CG1 3.39Å; T65-I69 PolarHBondContact O-N 3.2Å
66L97.8Very high96.1Very high7 Ų747 Ų474%0.03723%0.228CC..Hα-helixtrans-60.1-44.6178-73.1166000112.6I20 R23 F24 L28 V62 D63 M68 I69 D70I20-L66 HydrophobicContact CD1-CD2 4.04Å; I20-L66 HydrophobicContact CD1-CG 3.77Å; I20-L66 HydrophobicContact CG2-CD2 4.23Å; R23-L66 HydrophobicContact CB-CD1 3.64Å; R23-L66 HydrophobicContact CB-CD2 4.17Å; R23-L66 HydrophobicContact CG-CD1 4.45Å; R23-L66 VanDerWaalsContact CZ-CD1 3.45Å; F24-L66 HydrophobicContact CB-CD2 4.1Å; L28-L66 HydrophobicContact CD1-CB 4.49Å; L28-L66 HydrophobicContact CD1-CD2 4.3Å; V62-L66 HydrophobicContact CG1-CD1 4.08Å; V62-L66 PolarHBondContact O-N 3.22Å; D63-L66 PolarHBondContact O-N 2.79Å; L66-M68 VanDerWaalsContact C-N 3.27Å; L66-M68 PolarHBondContact O-N 2.81Å; L66-I69 PolarHBondContact O-N 2.79Å; L66-D70 PolarHBondContact O-N 3.29Å
67K97.4Very high96.4Very high125 Ų12548.5 Ų48.554%0.54323%0.231SC..Hα-helixtrans-58.6-40.2175-68.9165.4-154.3159.90112.1D63 D64 T65 D70 E71D63-K67 WeakPolarHBondContact O-CE 3.43Å; D63-K67 VanDerWaalsContact O-CG 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.4Å; D63-K67 PolarHBondContact O-N 2.7Å; D63-K67 VanDerWaalsContact O-N 3.12Å; D64-K67 IonicContact OD1-NZ 2.69Å; D64-K67 PolarHBondContact OD1-NZ 3.22Å; T65-K67 PolarHBondContact O-N 3.49Å; K67-D70 PolarHBondContact O-N 3.45Å; K67-E71 PolarHBondContact O-N 2.7Å
68M97.3Very high96.6Very high3 Ų352 Ų522%0.01525%0.251CS..Hα-helixtrans-72.1-38.2179.7-177.6-178.8169.800112.3Y54 W57 R58 D64 T65 L66 S72 V177 P180Y54-M68 HydrophobicContact CD1-CE 3.53Å; Y54-M68 HydrophobicContact CD1-CG 3.84Å; Y54-M68 HydrophobicContact CD1-SD 3.75Å; Y54-M68 HydrophobicContact CE1-CE 3.77Å; Y54-M68 HydrophobicContact CE1-CG 4.06Å; Y54-M68 HydrophobicContact CE1-SD 4.37Å; W57-M68 VanDerWaalsContact CD1-SD 3.57Å; W57-M68 HydrophobicContact CG-CE 4.2Å; R58-M68 HydrophobicContact CG-SD 3.94Å; R58-M68 PolarHBondContact NE-SD 3.38Å; R58-M68 VanDerWaalsContact NE-SD 3.44Å; R58-M68 PolarHBondContact NH2-SD 3.43Å; D64-M68 WeakPolarHBondContact O-CB 3.32Å; D64-M68 PolarHBondContact O-N 2.67Å; T65-M68 PolarHBondContact O-N 2.78Å; T65-M68 VanDerWaalsContact O-N 3.15Å; L66-M68 VanDerWaalsContact C-N 3.27Å; L66-M68 PolarHBondContact O-N 2.81Å; M68-S72 WeakPolarHBondContact O-CB 3.41Å; M68-S72 PolarHBondContact O-N 3.43Å; M68-V177 WeakPolarHBondContact CE-O 3.1Å; M68-V177 HydrophobicContact CG-CG1 4.25Å; M68-P180 HydrophobicContact CE-CB 3.73Å; M68-P180 HydrophobicContact CE-CG 3.69Å
69I97.4Very high96.8Very high0 Ų049.7 Ų49.70%024%0.242CC..Hα-helixtrans-61.3-47.3171.8-68.9168.5000109.4I20 F24 I44 Y54 T65 L66 S72 L73I20-I69 HydrophobicContact CG2-CD1 3.66Å; F24-I69 HydrophobicContact CD2-CG2 3.84Å; F24-I69 HydrophobicContact CE2-CG2 3.75Å; I44-I69 HydrophobicContact CD1-CD1 4.3Å; I44-I69 HydrophobicContact CD1-CG1 4.4Å; I44-I69 HydrophobicContact CD1-CG2 4Å; I44-I69 HydrophobicContact CG1-CG2 4.25Å; Y54-I69 HydrophobicContact CD1-CG1 4.11Å; Y54-I69 HydrophobicContact CD2-CD1 4.21Å; Y54-I69 HydrophobicContact CD2-CG1 3.72Å; Y54-I69 HydrophobicContact CE1-CG1 4.41Å; Y54-I69 HydrophobicContact CE2-CG1 4.05Å; Y54-I69 HydrophobicContact CG-CD1 4.37Å; Y54-I69 HydrophobicContact CG-CG1 3.77Å; T65-I69 HydrophobicContact CG2-CD1 4.01Å; T65-I69 WeakPolarHBondContact O-CG1 3.39Å; T65-I69 PolarHBondContact O-N 3.2Å; L66-I69 PolarHBondContact O-N 2.79Å; I69-S72 PolarHBondContact O-N 3.37Å; I69-L73 HydrophobicContact CG2-CD1 4.22Å; I69-L73 HydrophobicContact CG2-CG 4.12Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.36Å
70D97.3Very high97Very high33 Ų3343.7 Ų43.718%0.17622%0.216CC..Hα-helixtrans-57.1-53177-167.715.2000112.2L28 K35 Y36 L66 K67 S72 L73 L74L28-D70 HydrophobicContact CD1-CB 4.1Å; L28-D70 HydrophobicContact CD2-CB 4.26Å; K35-D70 WeakPolarHBondContact CE-OD1 3.38Å; K35-D70 IonicContact NZ-OD1 2.91Å; K35-D70 PolarHBondContact NZ-OD1 3.39Å; K35-D70 IonicContact NZ-OD2 3.7Å; K35-D70 PolarHBondContact NZ-OD2 3.22Å; Y36-D70 VanDerWaalsContact CE1-OD1 3.31Å; Y36-D70 WeakPolarHBondContact CE1-OD1 3.42Å; Y36-D70 VanDerWaalsContact OH-CG 3.24Å; Y36-D70 PolarHBondContact OH-OD1 3.23Å; L66-D70 PolarHBondContact O-N 3.29Å; K67-D70 PolarHBondContact O-N 3.45Å; D70-S72 VanDerWaalsContact C-N 3.29Å; D70-S72 PolarHBondContact O-N 3.22Å; D70-L73 PolarHBondContact O-N 3.37Å; D70-L74 WeakPolarHBondContact O-CB 3.42Å; D70-L74 VanDerWaalsContact O-CG 3.3Å; D70-L74 WeakPolarHBondContact O-CG 3.5Å; D70-L74 PolarHBondContact O-N 2.91Å
71E97.9Very high97.2Very high86 Ų8639.4 Ų39.440%0.40220%0.199SC..Hα-helixtrans-60.8-37.6178.7-166.3-175.3162.200112.1K67 W75 V177 Y178K67-E71 PolarHBondContact O-N 2.7Å; E71-W75 WeakPolarHBondContact O-CB 3.37Å; E71-W75 PolarHBondContact O-N 3.1Å; E71-V177 HydrophobicContact CB-CG1 3.95Å; E71-V177 HydrophobicContact CG-CG1 3.9Å; E71-Y178 HydrophobicContact CG-CE1 4.44Å
72S97.6Very high97.3Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-69.5-47.5178.2-169.80000112.2Y54 M68 I69 D70 W75 R76Y54-S72 WeakPolarHBondContact OH-CB 3.16Å; Y54-S72 PolarHBondContact OH-OG 2.91Å; M68-S72 WeakPolarHBondContact O-CB 3.41Å; M68-S72 PolarHBondContact O-N 3.43Å; I69-S72 PolarHBondContact O-N 3.37Å; D70-S72 VanDerWaalsContact C-N 3.29Å; D70-S72 PolarHBondContact O-N 3.22Å; S72-W75 PolarHBondContact O-N 3.16Å; S72-R76 WeakPolarHBondContact O-CG 3.35Å; S72-R76 PolarHBondContact O-N 2.86Å
73L97.6Very high97.2Very high3 Ų341.4 Ų41.42%0.01621%0.207CC..Hα-helixtrans-71.8-34.7-178-62.6-157000112.9F24 Y36 D40 I44 I69 D70 W75 R76 K77F24-L73 HydrophobicContact CE2-CD1 3.86Å; F24-L73 HydrophobicContact CZ-CD1 3.69Å; Y36-L73 HydrophobicContact CD1-CB 3.35Å; Y36-L73 HydrophobicContact CD1-CD1 4.31Å; Y36-L73 HydrophobicContact CD1-CG 4.47Å; Y36-L73 HydrophobicContact CD2-CD1 4.2Å; Y36-L73 HydrophobicContact CE1-CB 3.74Å; Y36-L73 HydrophobicContact CG-CB 3.87Å; Y36-L73 HydrophobicContact CG-CD1 4.03Å; D40-L73 HydrophobicContact CB-CD1 4.25Å; D40-L73 HydrophobicContact CB-CD2 3.76Å; I44-L73 HydrophobicContact CG1-CD1 4.13Å; I69-L73 HydrophobicContact CG2-CD1 4.22Å; I69-L73 HydrophobicContact CG2-CG 4.12Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.36Å; D70-L73 PolarHBondContact O-N 3.37Å; L73-W75 VanDerWaalsContact C-N 3.34Å; L73-R76 PolarHBondContact O-N 3.37Å; L73-K77 PolarHBondContact O-N 3.38Å
74L97.6Very high97.2Very high75 Ų7538.4 Ų38.439%0.39319%0.191SC..Hα-helixtrans-59.8-46169.7-73.2175.3000110.9K35 Y36 D70 K77 E78K35-L74 HydrophobicContact CG-CD2 4.02Å; Y36-L74 HydrophobicContact CD1-CD2 4.31Å; Y36-L74 HydrophobicContact CD1-CG 4.49Å; Y36-L74 HydrophobicContact CE1-CD2 4.08Å; Y36-L74 HydrophobicContact CE1-CG 4.01Å; D70-L74 WeakPolarHBondContact O-CB 3.42Å; D70-L74 VanDerWaalsContact O-CG 3.3Å; D70-L74 WeakPolarHBondContact O-CG 3.5Å; D70-L74 PolarHBondContact O-N 2.91Å; L74-K77 PolarHBondContact O-N 2.85Å; L74-E78 WeakPolarHBondContact O-CB 3.47Å; L74-E78 PolarHBondContact O-N 3.35Å
75W98.1Very high97.1Very high5 Ų537.6 Ų37.62%0.01919%0.191CC..Hα-helixtrans-62.6-43.5176168.271.7000112.3E71 S72 L73 K77 E78 F79 I81 A134 Y170 Y178 Y179E71-W75 WeakPolarHBondContact O-CB 3.37Å; E71-W75 PolarHBondContact O-N 3.1Å; S72-W75 PolarHBondContact O-N 3.16Å; L73-W75 VanDerWaalsContact C-N 3.34Å; W75-K77 VanDerWaalsContact C-N 3.31Å; W75-K77 PolarHBondContact O-N 2.85Å; W75-E78 PolarHBondContact O-N 3.21Å; W75-F79 AromaticContact CD1-CD2 3.21Å; W75-F79 AromaticContact CD1-CE2 3.53Å; W75-F79 HydrophobicContact CG-CD2 4.23Å; W75-F79 AromaticContact NE1-CD2 3.22Å; W75-F79 AromaticContact NE1-CE2 3.71Å; W75-F79 AromaticContact NE1-CG 3.53Å; W75-F79 WeakPolarHBondContact O-CD2 3.32Å; W75-F79 PolarHBondContact O-N 3.03Å; W75-I81 HydrophobicContact CE3-CG1 4.42Å; W75-I81 HydrophobicContact CH2-CB 4.48Å; W75-I81 HydrophobicContact CH2-CD1 3.69Å; W75-I81 HydrophobicContact CH2-CG1 3.58Å; W75-I81 HydrophobicContact CH2-CG2 4.16Å; W75-I81 HydrophobicContact CZ2-CD1 3.47Å; W75-I81 VanDerWaalsContact CZ2-CD1 3.47Å; W75-I81 HydrophobicContact CZ2-CG1 3.7Å; W75-I81 HydrophobicContact CZ3-CG1 3.96Å; W75-I81 HydrophobicContact CZ3-CG2 4.45Å; W75-A134 HydrophobicContact CH2-CB 4.2Å; W75-A134 HydrophobicContact CZ2-CB 3.93Å; W75-Y170 VanDerWaalsContact CZ2-OH 3.32Å; W75-Y170 WeakPolarHBondContact CZ2-OH 3.4Å; W75-Y170 AromaticContact NE1-CE2 3.56Å; W75-Y178 HydrophobicContact CB-CD1 4.01Å; W75-Y178 HydrophobicContact CB-CE1 3.59Å; W75-Y178 HydrophobicContact CB-CE2 4.48Å; W75-Y178 AromaticContact CD1-CE2 3.78Å; W75-Y178 AromaticContact CD1-CZ 3.88Å; W75-Y178 AromaticContact CD2-CD1 3.84Å; W75-Y178 HydrophobicContact CD2-CD1 3.84Å; W75-Y178 AromaticContact CD2-CD2 3.55Å; W75-Y178 HydrophobicContact CD2-CD2 3.55Å; W75-Y178 HydrophobicContact CD2-CE1 4.1Å; W75-Y178 AromaticContact CD2-CE2 3.85Å; W75-Y178 HydrophobicContact CD2-CE2 3.85Å; W75-Y178 AromaticContact CD2-CG 3.59Å; W75-Y178 HydrophobicContact CD2-CG 3.59Å; W75-Y178 AromaticContact CE2-CD2 3.74Å; W75-Y178 AromaticContact CE3-CD1 3.73Å; W75-Y178 HydrophobicContact CE3-CD1 3.73Å; W75-Y178 AromaticContact CE3-CD2 3.85Å; W75-Y178 HydrophobicContact CE3-CD2 3.85Å; W75-Y178 HydrophobicContact CE3-CE1 4.42Å; W75-Y178 AromaticContact CE3-CG 3.44Å; W75-Y178 HydrophobicContact CE3-CG 3.44Å; W75-Y178 VanDerWaalsContact CE3-CG 3.44Å; W75-Y178 AromaticContact CG-CD1 3.93Å; W75-Y178 HydrophobicContact CG-CD1 3.93Å; W75-Y178 AromaticContact CG-CD2 3.95Å; W75-Y178 HydrophobicContact CG-CD2 3.95Å; W75-Y178 AromaticContact CG-CE1 3.69Å; W75-Y178 HydrophobicContact CG-CE1 3.69Å; W75-Y178 AromaticContact CG-CE2 3.73Å; W75-Y178 HydrophobicContact CG-CE2 3.73Å; W75-Y178 HydrophobicContact CG-CG 4.09Å; W75-Y178 AromaticContact CG-CZ 3.62Å; W75-Y178 HydrophobicContact CH2-CD2 4.44Å; W75-Y178 HydrophobicContact CZ2-CD2 4.2Å; W75-Y178 HydrophobicContact CZ3-CD2 4.28Å; W75-Y178 AromaticContact CZ3-CG 3.93Å; W75-Y178 HydrophobicContact CZ3-CG 3.93Å; W75-Y178 AromaticContact NE1-CE2 3.98Å; W75-Y179 AromaticContact CH2-CE2 3.75Å; W75-Y179 HydrophobicContact CH2-CE2 3.75Å; W75-Y179 AromaticContact CH2-CZ 3.91Å; W75-Y179 WeakPolarHBondContact CH2-OH 3.38Å; W75-Y179 HydrophobicContact CZ3-CE2 4.17Å
76R98.1Very high97Very high13 Ų1341.3 Ų41.35%0.04921%0.208CC..Hα-helixtrans-58.7-42.7177.3-72.7-174.376.878.42.9111.8D40 S72 L73 G80 I81 N82 E138D40-R76 IonicContact OD1-CZ 3.68Å; D40-R76 IonicContact OD1-NE 3.92Å; D40-R76 PolarHBondContact OD1-NE 3.12Å; D40-R76 IonicContact OD1-NH2 3.23Å; D40-R76 WeakPolarHBondContact OD2-CB 3.47Å; D40-R76 WeakPolarHBondContact OD2-CD 3.32Å; D40-R76 IonicContact OD2-NE 2.73Å; D40-R76 PolarHBondContact OD2-NE 3.17Å; D40-R76 VanDerWaalsContact OD2-NE 3.09Å; S72-R76 WeakPolarHBondContact O-CG 3.35Å; S72-R76 PolarHBondContact O-N 2.86Å; L73-R76 PolarHBondContact O-N 3.37Å; R76-G80 WeakPolarHBondContact O-CA 3.38Å; R76-G80 PolarHBondContact O-N 3.35Å; R76-I81 HydrophobicContact CB-CB 4.31Å; R76-I81 HydrophobicContact CB-CG1 4.44Å; R76-I81 HydrophobicContact CG-CB 4.35Å; R76-I81 HydrophobicContact CG-CG1 4.48Å; R76-I81 PolarHBondContact O-N 2.87Å; R76-N82 PolarHBondContact NH2-OD1 3.06Å; R76-E138 IonicContact CZ-OE1 2.62Å; R76-E138 IonicContact NH1-OE1 2.88Å; R76-E138 PolarHBondContact NH1-OE1 3.39Å; R76-E138 IonicContact NH2-OE1 2.73Å; R76-E138 PolarHBondContact NH2-OE1 2.74Å; R76-E138 IonicContact NH2-OE2 2.77Å; R76-E138 PolarHBondContact NH2-OE2 3.12Å
77K97.3Very high96.8Very high68 Ų6844.6 Ų44.630%0.29624%0.244SC..Hα-helixtrans-67.6-51174.9-171.3175-164.8153.90112.5D34 Y36 L73 L74 W75 F79 G80D34-K77 VanDerWaalsContact CG-NZ 3.33Å; D34-K77 PolarHBondContact O-NZ 3.26Å; D34-K77 IonicContact OD1-NZ 2.7Å; D34-K77 PolarHBondContact OD1-NZ 3.08Å; D34-K77 IonicContact OD2-NZ 3.22Å; Y36-K77 PolarHBondContact O-NZ 3.27Å; L73-K77 PolarHBondContact O-N 3.38Å; L74-K77 PolarHBondContact O-N 2.85Å; W75-K77 VanDerWaalsContact C-N 3.31Å; W75-K77 PolarHBondContact O-N 2.85Å; K77-F79 VanDerWaalsContact C-N 3.26Å; K77-F79 PolarHBondContact O-N 3.45Å; K77-G80 PolarHBondContact O-N 2.88Å
78E96.4Very high96.7Very high148 Ų14842.3 Ų42.369%0.69224%0.24SC*.Hα-helixtrans-55.6-41.3-178-175.9-169.1171.100111.8L74 W75L74-E78 WeakPolarHBondContact O-CB 3.47Å; L74-E78 PolarHBondContact O-N 3.35Å; W75-E78 PolarHBondContact O-N 3.21Å
79F96.6Very high96.6Very high13 Ų1342.6 Ų42.66%0.05724%0.242CC..Hα-helixtrans-91.2-4.3-179.8-73.6-98.8000113.7W75 K77 I81 V127 K130 K131W75-F79 AromaticContact CD1-CD2 3.21Å; W75-F79 AromaticContact CD1-CE2 3.53Å; W75-F79 HydrophobicContact CG-CD2 4.23Å; W75-F79 AromaticContact NE1-CD2 3.22Å; W75-F79 AromaticContact NE1-CE2 3.71Å; W75-F79 AromaticContact NE1-CG 3.53Å; W75-F79 WeakPolarHBondContact O-CD2 3.32Å; W75-F79 PolarHBondContact O-N 3.03Å; K77-F79 VanDerWaalsContact C-N 3.26Å; K77-F79 PolarHBondContact O-N 3.45Å; F79-I81 VanDerWaalsContact C-N 3.35Å; F79-I81 HydrophobicContact CB-CD1 3.44Å; F79-I81 VanDerWaalsContact CB-CD1 3.44Å; F79-I81 HydrophobicContact CB-CG1 3.82Å; F79-V127 HydrophobicContact CE1-CG1 4.39Å; F79-K130 HydrophobicContact CD1-CB 4.12Å; F79-K130 HydrophobicContact CE1-CB 3.58Å; F79-K130 HydrophobicContact CE1-CD 3.61Å; F79-K130 HydrophobicContact CE1-CG 4.25Å; F79-K130 HydrophobicContact CZ-CB 4.46Å; F79-K130 HydrophobicContact CZ-CD 3.72Å; F79-K131 HydrophobicContact CD1-CG 4.02Å; F79-K131 WeakPolarHBondContact O-CE 3.49Å; F79-K131 PolarHBondContact O-NZ 3.33Å
80G96.9Very high96.6Very high19 Ų1944.3 Ų44.320%0.19625%0.253CS..THydrogen-bonded Turntrans6042.2-178.200000112.5R76 K77 N82 D83 V84R76-G80 WeakPolarHBondContact O-CA 3.38Å; R76-G80 PolarHBondContact O-N 3.35Å; K77-G80 PolarHBondContact O-N 2.88Å; G80-N82 VanDerWaalsContact C-N 3.29Å; G80-N82 PolarHBondContact O-N 3.5Å; G80-D83 CarbonylContact O-C 3.52Å; G80-D83 PolarHBondContact O-N 3.39Å; G80-V84 PolarHBondContact O-N 3.33Å
81I97.5Very high96.5Very high0 Ų049.5 Ų49.50%027%0.27CS..G310 helixtrans-63-33.5-166.3-62.9-57.9000112.9W75 R76 F79 D83 V84 A134 E138W75-I81 HydrophobicContact CE3-CG1 4.42Å; W75-I81 HydrophobicContact CH2-CB 4.48Å; W75-I81 HydrophobicContact CH2-CD1 3.69Å; W75-I81 HydrophobicContact CH2-CG1 3.58Å; W75-I81 HydrophobicContact CH2-CG2 4.16Å; W75-I81 HydrophobicContact CZ2-CD1 3.47Å; W75-I81 VanDerWaalsContact CZ2-CD1 3.47Å; W75-I81 HydrophobicContact CZ2-CG1 3.7Å; W75-I81 HydrophobicContact CZ3-CG1 3.96Å; W75-I81 HydrophobicContact CZ3-CG2 4.45Å; R76-I81 HydrophobicContact CB-CB 4.31Å; R76-I81 HydrophobicContact CB-CG1 4.44Å; R76-I81 HydrophobicContact CG-CB 4.35Å; R76-I81 HydrophobicContact CG-CG1 4.48Å; R76-I81 PolarHBondContact O-N 2.87Å; F79-I81 VanDerWaalsContact C-N 3.35Å; F79-I81 HydrophobicContact CB-CD1 3.44Å; F79-I81 VanDerWaalsContact CB-CD1 3.44Å; F79-I81 HydrophobicContact CB-CG1 3.82Å; I81-D83 PolarHBondContact O-N 2.95Å; I81-V84 HydrophobicContact CD1-CG2 4.18Å; I81-V84 PolarHBondContact O-N 3.26Å; I81-A134 HydrophobicContact CD1-CB 3.66Å; I81-E138 HydrophobicContact CG2-CG 3.6Å
82N96.6Very high96.4Very high37 Ų3751.3 Ų51.320%0.19827%0.273CS..G310 helixtrans-65.9-18.2175.9-59.9-45.1000113.3D37 D40 R76 G80D37-N82 PolarHBondContact OD2-ND2 2.98Å; D40-N82 PolarHBondContact OD2-ND2 3.4Å; R76-N82 PolarHBondContact NH2-OD1 3.06Å; G80-N82 VanDerWaalsContact C-N 3.29Å; G80-N82 PolarHBondContact O-N 3.5Å
83D96Very high96.3Very high87 Ų8751.5 Ų51.547%0.46527%0.274SS..G310 helixtrans-110.96.7179.8-51.8-59.8000112.7R39 G80 I81 S85 T88R39-D83 IonicContact CZ-OD1 2.91Å; R39-D83 IonicContact CZ-OD2 3.22Å; R39-D83 IonicContact NH1-OD1 3.66Å; R39-D83 PolarHBondContact NH1-OD1 3.16Å; R39-D83 IonicContact NH1-OD2 3.84Å; R39-D83 IonicContact NH2-OD1 3.54Å; R39-D83 PolarHBondContact NH2-OD1 3.49Å; R39-D83 IonicContact NH2-OD2 2.8Å; R39-D83 PolarHBondContact NH2-OD2 3.19Å; G80-D83 CarbonylContact O-C 3.52Å; G80-D83 PolarHBondContact O-N 3.39Å; I81-D83 PolarHBondContact O-N 2.95Å; D83-S85 PolarHBondContact O-N 2.92Å; D83-T88 PolarHBondContact O-OG1 2.92Å; D83-T88 VanDerWaalsContact O-OG1 3.11Å
84V95.9Very high96.3Very high16 Ų1651.3 Ų51.310%0.09727%0.273CS..  trans-71.4124174165.10000109.7G80 I81 T88 I89 K131 F135G80-V84 PolarHBondContact O-N 3.33Å; I81-V84 HydrophobicContact CD1-CG2 4.18Å; I81-V84 PolarHBondContact O-N 3.26Å; V84-T88 WeakPolarHBondContact CA-OG1 3.38Å; V84-I89 HydrophobicContact CG1-CD1 4.05Å; V84-K131 HydrophobicContact CG2-CB 4.4Å; V84-K131 HydrophobicContact CG2-CD 4.37Å; V84-K131 HydrophobicContact CG2-CG 4.47Å; V84-F135 HydrophobicContact CG1-CB 3.51Å; V84-F135 HydrophobicContact CG1-CD2 4.04Å; V84-F135 HydrophobicContact CG1-CG 4.29Å
85S94.6Very high96.2Very high52 Ų5252.3 Ų52.336%0.36428%0.276SS..  trans-151.2171.8-179640000110D83 G87 T88 I89D83-S85 PolarHBondContact O-N 2.92Å; S85-G87 PolarHBondContact O-N 3Å; S85-T88 PolarHBondContact N-OG1 3.3Å; S85-T88 PolarHBondContact O-N 3.49Å; S85-T88 VanDerWaalsContact O-N 3.08Å; S85-T88 PolarHBondContact O-OG1 2.9Å; S85-T88 PolarHBondContact OG-OG1 3.37Å; S85-I89 PolarHBondContact O-N 2.91Å
86E94.4Very high96.1Very high78 Ų7854.4 Ų54.436%0.36429%0.291SS..G310 helixtrans-56.7-36.7177.8-170.3-179144.800112F94 F135 Y245E86-F94 HydrophobicContact CB-CZ 4.4Å; E86-F94 HydrophobicContact CG-CE1 4.49Å; E86-F94 HydrophobicContact CG-CE2 4.15Å; E86-F94 HydrophobicContact CG-CZ 4.05Å; E86-F135 HydrophobicContact CB-CE2 4.32Å; E86-F135 HydrophobicContact CB-CZ 4.37Å; E86-Y245 HydrophobicContact CG-CE2 4.38Å; E86-Y245 WeakPolarHBondContact CG-OH 3.35Å; E86-Y245 PolarHBondContact OE1-OH 3.47Å
87G95.1Very high95.9Very high75 Ų7554 Ų5477%0.77329%0.291SS*.G310 helixtrans-76.7-16.2178.300000115.5S85S85-G87 PolarHBondContact O-N 3Å
88T94.6Very high95.9Very high78 Ų7851.5 Ų51.548%0.47928%0.283SS..G310 helixtrans-96.7-0177.657.30000113.6D83 V84 S85D83-T88 PolarHBondContact O-OG1 2.92Å; D83-T88 VanDerWaalsContact O-OG1 3.11Å; V84-T88 WeakPolarHBondContact CA-OG1 3.38Å; S85-T88 PolarHBondContact N-OG1 3.3Å; S85-T88 PolarHBondContact O-N 3.49Å; S85-T88 VanDerWaalsContact O-N 3.08Å; S85-T88 PolarHBondContact O-OG1 2.9Å; S85-T88 PolarHBondContact OG-OG1 3.37Å
89I96.3Very high96Very high9 Ų945 Ų455%0.04625%0.253CS..SBendtrans-109139.2175.1-72.7158.4000109.8V84 S85 R91 M93 F94 Y132 F135V84-I89 HydrophobicContact CG1-CD1 4.05Å; S85-I89 PolarHBondContact O-N 2.91Å; I89-R91 PolarHBondContact O-N 2.8Å; I89-R91 VanDerWaalsContact O-N 3.12Å; I89-M93 HydrophobicContact CG2-CB 4.16Å; I89-M93 HydrophobicContact CG2-SD 4.3Å; I89-F94 HydrophobicContact CB-CE2 3.69Å; I89-F94 HydrophobicContact CB-CZ 3.92Å; I89-F94 HydrophobicContact CD1-CZ 4.18Å; I89-F94 HydrophobicContact CG2-CD2 4.2Å; I89-F94 HydrophobicContact CG2-CE2 3.46Å; I89-F94 VanDerWaalsContact CG2-CE2 3.46Å; I89-F94 HydrophobicContact CG2-CZ 3.82Å; I89-Y132 HydrophobicContact CD1-CD2 4.32Å; I89-Y132 HydrophobicContact CG2-CD2 3.92Å; I89-Y132 HydrophobicContact CG2-CG 4.35Å; I89-F135 HydrophobicContact CD1-CB 3.34Å; I89-F135 HydrophobicContact CD1-CD1 4.48Å; I89-F135 HydrophobicContact CD1-CD2 4.03Å; I89-F135 HydrophobicContact CD1-CG 3.71Å
90P96.1Very high95.9Very high36 Ų3644.7 Ų44.723%0.23425%0.252CS..  trans-58.1119.7177.4-2534.5000112W92 M93 D128P90-W92 HydrophobicContact CB-CG 4.49Å; P90-W92 VanDerWaalsContact CB-NE1 3.3Å; P90-W92 PolarHBondContact O-N 3.39Å; P90-M93 HydrophobicContact CB-CG 4.37Å; P90-M93 WeakPolarHBondContact O-CB 3.35Å; P90-M93 PolarHBondContact O-N 3.45Å; P90-D128 HydrophobicContact CG-CB 4.08Å
91R96.1Very high95.9Very high141 Ų14143.8 Ų43.853%0.53224%0.243SC..Hα-helixtrans-44.2-40.4-175.6-172.8-177.7159.6122.26.3114.5I89 M93 F94 E95 Y245I89-R91 PolarHBondContact O-N 2.8Å; I89-R91 VanDerWaalsContact O-N 3.12Å; R91-M93 PolarHBondContact O-N 3.47Å; R91-M93 VanDerWaalsContact O-N 3.16Å; R91-F94 PolarHBondContact O-N 2.75Å; R91-F94 VanDerWaalsContact O-N 3.16Å; R91-E95 HydrophobicContact CG-CG 4.47Å; R91-E95 IonicContact CZ-OE1 2.78Å; R91-E95 IonicContact NE-OE1 3.36Å; R91-E95 PolarHBondContact NE-OE1 2.91Å; R91-E95 IonicContact NH2-OE1 2.74Å; R91-E95 PolarHBondContact NH2-OE1 3.4Å; R91-E95 PolarHBondContact O-N 3.1Å; R91-Y245 HydrophobicContact CG-CE1 3.9Å
92W95.6Very high95.8Very high125 Ų12545.7 Ų45.747%0.47325%0.251SS..Hα-helixtrans-61.5-22-179.969.5-97.1000113.9P90 S96 T125P90-W92 HydrophobicContact CB-CG 4.49Å; P90-W92 VanDerWaalsContact CB-NE1 3.3Å; P90-W92 PolarHBondContact O-N 3.39Å; W92-S96 WeakPolarHBondContact O-CB 3.49Å; W92-S96 PolarHBondContact O-N 3.11Å; W92-T125 HydrophobicContact CH2-CG2 4.04Å; W92-T125 HydrophobicContact CZ2-CG2 3.78Å
93M96Very high95.6Very high3 Ų344 Ų442%0.01524%0.244CC..Hα-helixtrans-68.7-40.3176.2-66.4-161.3170.400111.8I89 P90 R91 S96 D128 K129 Y132I89-M93 HydrophobicContact CG2-CB 4.16Å; I89-M93 HydrophobicContact CG2-SD 4.3Å; P90-M93 HydrophobicContact CB-CG 4.37Å; P90-M93 WeakPolarHBondContact O-CB 3.35Å; P90-M93 PolarHBondContact O-N 3.45Å; R91-M93 PolarHBondContact O-N 3.47Å; R91-M93 VanDerWaalsContact O-N 3.16Å; M93-S96 PolarHBondContact O-OG 2.85Å; M93-D128 HydrophobicContact CE-CB 3.33Å; M93-D128 HydrophobicContact SD-CB 3.96Å; M93-K129 HydrophobicContact CE-CG 3.69Å; M93-K129 HydrophobicContact SD-CG 4.23Å; M93-Y132 HydrophobicContact CB-CD1 4.06Å; M93-Y132 HydrophobicContact CB-CD2 4.45Å; M93-Y132 HydrophobicContact CB-CE1 4.22Å; M93-Y132 HydrophobicContact CB-CG 4.19Å; M93-Y132 HydrophobicContact SD-CD1 4.48Å; M93-Y132 HydrophobicContact SD-CG 4.35Å
94F96.2Very high95.5Very high0 Ų040.5 Ų40.50%022%0.224CC..Hα-helixtrans-65-53.9170.3-58.4-83.6000109.7E86 I89 R91 S96 G97 Y132 F135 Y243 Y245 L248E86-F94 HydrophobicContact CB-CZ 4.4Å; E86-F94 HydrophobicContact CG-CE1 4.49Å; E86-F94 HydrophobicContact CG-CE2 4.15Å; E86-F94 HydrophobicContact CG-CZ 4.05Å; I89-F94 HydrophobicContact CB-CE2 3.69Å; I89-F94 HydrophobicContact CB-CZ 3.92Å; I89-F94 HydrophobicContact CD1-CZ 4.18Å; I89-F94 HydrophobicContact CG2-CD2 4.2Å; I89-F94 HydrophobicContact CG2-CE2 3.46Å; I89-F94 VanDerWaalsContact CG2-CE2 3.46Å; I89-F94 HydrophobicContact CG2-CZ 3.82Å; R91-F94 PolarHBondContact O-N 2.75Å; R91-F94 VanDerWaalsContact O-N 3.16Å; F94-S96 PolarHBondContact O-N 3.19Å; F94-G97 PolarHBondContact O-N 2.86Å; F94-Y132 HydrophobicContact CD1-CD2 4.43Å; F94-Y132 AromaticContact CD1-CE2 3.5Å; F94-Y132 HydrophobicContact CD1-CE2 3.5Å; F94-Y132 HydrophobicContact CE1-CD2 4.07Å; F94-Y132 AromaticContact CE1-CE2 3.5Å; F94-Y132 HydrophobicContact CE1-CE2 3.5Å; F94-Y132 VanDerWaalsContact CE1-CE2 3.5Å; F94-Y132 HydrophobicContact CG-CE2 4.1Å; F94-Y132 HydrophobicContact CZ-CD2 4.26Å; F94-Y132 HydrophobicContact CZ-CE2 4.09Å; F94-F135 AromaticContact CE1-CD1 3.95Å; F94-F135 HydrophobicContact CE1-CD1 3.95Å; F94-F135 AromaticContact CE1-CE1 3.63Å; F94-F135 HydrophobicContact CE1-CE1 3.63Å; F94-F135 HydrophobicContact CE1-CZ 4.15Å; F94-F135 HydrophobicContact CZ-CD1 4.33Å; F94-F135 HydrophobicContact CZ-CE1 4.18Å; F94-F135 HydrophobicContact CZ-CZ 4.4Å; F94-Y243 WeakPolarHBondContact O-CE1 3.47Å; F94-Y243 VanDerWaalsContact O-CZ 3.29Å; F94-Y243 PolarHBondContact O-OH 3.15Å; F94-Y245 HydrophobicContact CB-CD1 3.46Å; F94-Y245 VanDerWaalsContact CB-CD1 3.46Å; F94-Y245 HydrophobicContact CB-CD2 3.72Å; F94-Y245 HydrophobicContact CB-CE1 3.51Å; F94-Y245 HydrophobicContact CB-CE2 3.77Å; F94-Y245 HydrophobicContact CB-CG 3.55Å; F94-Y245 HydrophobicContact CD1-CD2 4.48Å; F94-Y245 HydrophobicContact CD1-CE2 4.18Å; F94-Y245 HydrophobicContact CD2-CE1 4.33Å; F94-Y245 HydrophobicContact CD2-CE2 4.44Å; F94-Y245 AromaticContact CD2-CZ 3.97Å; F94-Y245 HydrophobicContact CG-CD1 4.5Å; F94-Y245 HydrophobicContact CG-CD2 4.27Å; F94-Y245 HydrophobicContact CG-CE1 4.15Å; F94-Y245 AromaticContact CG-CE2 3.9Å; F94-Y245 HydrophobicContact CG-CE2 3.9Å; F94-Y245 AromaticContact CG-CZ 3.81Å; F94-L248 HydrophobicContact CD1-CD2 3.63Å; F94-L248 HydrophobicContact CE1-CD2 3.86Å
95E95.7Very high95.5Very high96 Ų9640.1 Ų40.145%0.44922%0.221SC..Hα-helixtrans-53.9-25.2179.7-63.5173.5157.800113.7R91 G97 Y245R91-E95 HydrophobicContact CG-CG 4.47Å; R91-E95 IonicContact CZ-OE1 2.78Å; R91-E95 IonicContact NE-OE1 3.36Å; R91-E95 PolarHBondContact NE-OE1 2.91Å; R91-E95 IonicContact NH2-OE1 2.74Å; R91-E95 PolarHBondContact NH2-OE1 3.4Å; R91-E95 PolarHBondContact O-N 3.1Å; E95-G97 VanDerWaalsContact C-N 3.32Å; E95-G97 PolarHBondContact O-N 2.93Å; E95-Y245 HydrophobicContact CG-CD1 3.67Å; E95-Y245 HydrophobicContact CG-CE1 4.16Å
96S95.9Very high95.5Very high48 Ų4844.6 Ų44.634%0.33623%0.23SC..THydrogen-bonded Turntrans-65.6-27175.280.50000114.7W92 M93 F94 A98 L118W92-S96 WeakPolarHBondContact O-CB 3.49Å; W92-S96 PolarHBondContact O-N 3.11Å; M93-S96 PolarHBondContact O-OG 2.85Å; F94-S96 PolarHBondContact O-N 3.19Å; S96-A98 PolarHBondContact O-N 2.73Å; S96-A98 VanDerWaalsContact O-N 3.16Å; S96-A98 VanDerWaalsContact OG-CB 3.31Å; S96-A98 WeakPolarHBondContact OG-CB 3.5Å; S96-A98 PolarHBondContact OG-N 3.44Å; S96-L118 WeakPolarHBondContact O-CD1 3.45Å
97G95.4Very high95.4Very high4 Ų446.9 Ų46.94%0.04124%0.241CC..THydrogen-bonded Turntrans59.120.1-17200000114.7F94 E95 F100F94-G97 PolarHBondContact O-N 2.86Å; E95-G97 VanDerWaalsContact C-N 3.32Å; E95-G97 PolarHBondContact O-N 2.93Å; G97-F100 WeakPolarHBondContact O-CD1 3.4Å
98A96.4Very high95.2Very high16 Ų1644.3 Ų44.313%0.13222%0.215CC..SBendtrans-73.1-28.3-17600000113.8S96 F114 K115 L118S96-A98 PolarHBondContact O-N 2.73Å; S96-A98 VanDerWaalsContact O-N 3.16Å; S96-A98 VanDerWaalsContact OG-CB 3.31Å; S96-A98 WeakPolarHBondContact OG-CB 3.5Å; S96-A98 PolarHBondContact OG-N 3.44Å; A98-F114 WeakPolarHBondContact O-CA 3.02Å; A98-K115 PolarHBondContact O-N 3.03Å; A98-L118 HydrophobicContact CB-CB 3.84Å; A98-L118 HydrophobicContact CB-CD1 4.41Å
99V97.3Very high95.2Very high11 Ų1141.4 Ų41.47%0.06720%0.196CC..EExtended strand (participates in β ladder)trans-140.5130.7179.4-179.70000108.9F112 W113 F114 Y132 W136V99-F112 HydrophobicContact CG1-CD2 4.25Å; V99-F112 HydrophobicContact CG1-CE2 3.33Å; V99-F112 HydrophobicContact CG1-CZ 3.6Å; V99-W113 VanDerWaalsContact CA-O 3.25Å; V99-W113 WeakPolarHBondContact CA-O 2.97Å; V99-F114 HydrophobicContact CG1-CD1 4.44Å; V99-F114 HydrophobicContact CG1-CE1 4.15Å; V99-F114 HydrophobicContact CG1-CE2 4.33Å; V99-F114 HydrophobicContact CG1-CZ 4.08Å; V99-F114 HydrophobicContact CG2-CD1 3.62Å; V99-F114 HydrophobicContact CG2-CE1 3.81Å; V99-F114 HydrophobicContact CG2-CG 4.25Å; V99-Y132 HydrophobicContact CB-CD1 4.32Å; V99-Y132 HydrophobicContact CB-CE1 3.76Å; V99-Y132 HydrophobicContact CG2-CE1 4.35Å; V99-Y132 PolarHBondContact O-OH 3.44Å; V99-W136 PolarHBondContact O-NE1 3.45Å
100F96.2Very high95.1Very high7 Ų741.4 Ų41.43%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-166161.5-178.660.3-84.1000113.1G97 H102 W113 K115 W136 F241 Y243 P249G97-F100 WeakPolarHBondContact O-CD1 3.4Å; F100-H102 HydrophobicContact CD2-CB 3.8Å; F100-H102 HydrophobicContact CE2-CB 3.83Å; F100-W113 HydrophobicContact CD1-CB 4.12Å; F100-W113 HydrophobicContact CD2-CB 4.17Å; F100-W113 HydrophobicContact CD2-CG 4.39Å; F100-W113 HydrophobicContact CE1-CB 3.74Å; F100-W113 HydrophobicContact CE1-CG 4.42Å; F100-W113 HydrophobicContact CE2-CB 3.8Å; F100-W113 AromaticContact CE2-CD1 3.58Å; F100-W113 AromaticContact CE2-CG 3.74Å; F100-W113 HydrophobicContact CE2-CG 3.74Å; F100-W113 HydrophobicContact CG-CB 4.31Å; F100-W113 HydrophobicContact CZ-CB 3.56Å; F100-W113 HydrophobicContact CZ-CD2 4.44Å; F100-W113 AromaticContact CZ-CG 3.75Å; F100-W113 HydrophobicContact CZ-CG 3.75Å; F100-W113 PolarHBondContact N-O 2.88Å; F100-W113 VanDerWaalsContact N-O 3.15Å; F100-W113 PolarHBondContact O-N 2.72Å; F100-K115 HydrophobicContact CE1-CD 4.07Å; F100-K115 HydrophobicContact CE1-CG 4.28Å; F100-W136 HydrophobicContact CB-CZ2 4.22Å; F100-F241 AromaticContact CD2-CE1 3.99Å; F100-F241 HydrophobicContact CD2-CE1 3.99Å; F100-F241 HydrophobicContact CD2-CZ 4.46Å; F100-F241 HydrophobicContact CE2-CD1 4.34Å; F100-F241 AromaticContact CE2-CE1 3.66Å; F100-F241 HydrophobicContact CE2-CE1 3.66Å; F100-F241 HydrophobicContact CZ-CE1 4.36Å; F100-Y243 HydrophobicContact CB-CD2 3.69Å; F100-Y243 HydrophobicContact CB-CE2 3.56Å; F100-Y243 AromaticContact CD1-CD2 3.87Å; F100-Y243 HydrophobicContact CD1-CD2 3.87Å; F100-Y243 HydrophobicContact CD1-CE2 4.4Å; F100-Y243 HydrophobicContact CD2-CD2 4.22Å; F100-Y243 AromaticContact CG-CD2 3.67Å; F100-Y243 HydrophobicContact CG-CD2 3.67Å; F100-Y243 HydrophobicContact CG-CE2 4.08Å; F100-P249 HydrophobicContact CB-CG 4.19Å
101L95.8Very high95.1Very high1 Ų139.7 Ų39.71%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-98.5128.4170.1-64.2166.3000109.9K110 L111 F112 W136 Y140 D250 F253L101-K110 HydrophobicContact CD2-CG 4.23Å; L101-L111 WeakPolarHBondContact CA-O 3.03Å; L101-F112 HydrophobicContact CD2-CB 3.72Å; L101-F112 HydrophobicContact CD2-CD2 3.59Å; L101-F112 HydrophobicContact CD2-CE2 4.45Å; L101-F112 HydrophobicContact CD2-CG 3.86Å; L101-F112 HydrophobicContact CG-CD2 4.07Å; L101-W136 HydrophobicContact CB-CE3 4.32Å; L101-W136 HydrophobicContact CB-CZ3 4.28Å; L101-W136 HydrophobicContact CD1-CE3 3.61Å; L101-W136 HydrophobicContact CD1-CZ3 4.09Å; L101-W136 HydrophobicContact CG-CE3 3.77Å; L101-W136 HydrophobicContact CG-CZ3 4.21Å; L101-Y140 HydrophobicContact CD1-CD2 4.32Å; L101-Y140 HydrophobicContact CD1-CG 4.26Å; L101-D250 HydrophobicContact CB-CB 4.29Å; L101-F253 HydrophobicContact CD1-CZ 4.18Å
102H94.8Very high95.2Very high39 Ų3933 Ų3318%0.18116%0.159CC..EExtended strand (participates in β ladder)trans-167.5135.4174-179.859.1000112.5F100 L111 W113 D239 F241F100-H102 HydrophobicContact CD2-CB 3.8Å; F100-H102 HydrophobicContact CE2-CB 3.83Å; H102-L111 PolarHBondContact N-O 2.83Å; H102-L111 WeakPolarHBondContact O-CB 3.36Å; H102-W113 PolarHBondContact O-NE1 2.99Å; H102-D239 IonicContact CD2-OD2 2.84Å; H102-D239 PolarHBondContact CD2-OD2 2.91Å; H102-D239 VanDerWaalsContact CD2-OD2 3.31Å; H102-D239 IonicContact CE1-OD2 2.88Å; H102-D239 IonicContact NE2-OD1 2.76Å; H102-D239 PolarHBondContact NE2-OD1 2.91Å; H102-D239 IonicContact NE2-OD2 3.77Å; H102-D239 PolarHBondContact NE2-OD2 2.84Å; H102-F241 HydrophobicContact CB-CD1 4.31Å; H102-F241 HydrophobicContact CB-CE1 4.1Å; H102-F241 HydrophobicContact CB-CZ 4.37Å; H102-F241 AromaticContact CD2-CD1 3.5Å; H102-F241 AromaticContact CD2-CG 3.54Å; H102-F241 AromaticContact CE1-CD2 3.8Å; H102-F241 AromaticContact CE1-CG 3.75Å; H102-F241 AromaticContact CG-CD1 3.75Å; H102-F241 AromaticContact CG-CE1 3.97Å; H102-F241 AromaticContact CG-CG 3.82Å; H102-F241 AromaticContact ND1-CD2 3.88Å; H102-F241 AromaticContact ND1-CG 3.99Å; H102-F241 VanDerWaalsContact NE2-CB 3.29Å; H102-F241 WeakPolarHBondContact NE2-CB 3.28Å; H102-F241 AromaticContact NE2-CD1 3.95Å; H102-F241 AromaticContact NE2-CG 3.49Å; H102-F241 WeakPolarHBondContact NE2-CG 3.11Å
103G93.6Very high95.4Very high3 Ų327.5 Ų27.53%0.03114%0.138CC..EExtended strand (participates in β ladder)trans71.5179.4-177.400000114.4K110 L111G103-K110 WeakPolarHBondContact O-CD 3.44Å; G103-L111 PolarHBondContact O-N 3.15Å
104Y94.4Very high95.5Very high13 Ų1327.7 Ų27.75%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-132.8151.5-175.9-62.3-95000111.1G108 N109 K110 H230 F253 Q254 T255 P256Y104-G108 WeakPolarHBondContact CD1-O 3.18Å; Y104-N109 CarbonylContact C-O 3.6Å; Y104-N109 WeakPolarHBondContact CA-O 3.49Å; Y104-K110 HydrophobicContact CD1-CB 4.46Å; Y104-K110 HydrophobicContact CD1-CD 4.04Å; Y104-K110 HydrophobicContact CE1-CB 4.31Å; Y104-K110 HydrophobicContact CE1-CD 3.49Å; Y104-K110 VanDerWaalsContact CE1-CD 3.49Å; Y104-K110 HydrophobicContact CE2-CD 4.1Å; Y104-K110 PolarHBondContact OH-NZ 2.78Å; Y104-H230 PolarHBondContact N-CD2 3.18Å; Y104-H230 WeakPolarHBondContact O-CB 3.24Å; Y104-H230 PolarHBondContact O-CD2 2.97Å; Y104-F253 WeakPolarHBondContact OH-CD1 3.49Å; Y104-Q254 WeakPolarHBondContact CE2-O 3.26Å; Y104-Q254 PolarHBondContact OH-O 3.46Å; Y104-T255 HydrophobicContact CE1-CG2 4.48Å; Y104-T255 WeakPolarHBondContact OH-CA 3.42Å; Y104-T255 PolarHBondContact OH-OG1 3.03Å; Y104-P256 HydrophobicContact CD1-CG 4.39Å; Y104-P256 HydrophobicContact CD2-CG 3.82Å; Y104-P256 HydrophobicContact CE2-CG 4.15Å; Y104-P256 HydrophobicContact CG-CG 3.99Å
105D95.6Very high95.6Very high7 Ų730.7 Ų30.74%0.03715%0.152CC..BIsolated β-bridgetrans-80.7171.816984.5-0.4000111.6E107 G108 N109 L111 T150 K185 Y225 I226D105-E107 PolarHBondContact O-N 3.43Å; D105-E107 WeakPolarHBondContact OD1-CA 3.49Å; D105-E107 WeakPolarHBondContact OD1-CB 3.34Å; D105-E107 PolarHBondContact OD1-N 2.82Å; D105-G108 PolarHBondContact O-N 3.02Å; D105-G108 PolarHBondContact OD1-N 2.93Å; D105-N109 PolarHBondContact N-O 2.9Å; D105-N109 WeakPolarHBondContact OD1-CB 3.22Å; D105-N109 PolarHBondContact OD1-N 2.97Å; D105-N109 PolarHBondContact OD1-ND2 3.05Å; D105-N109 PolarHBondContact OD2-ND2 2.64Å; D105-L111 HydrophobicContact CB-CD2 3.71Å; D105-T150 HydrophobicContact CB-CG2 4.24Å; D105-T150 WeakPolarHBondContact OD2-CB 3.34Å; D105-T150 PolarHBondContact OD2-OG1 2.82Å; D105-K185 WeakPolarHBondContact OD2-CE 3.31Å; D105-K185 IonicContact OD2-NZ 3.18Å; D105-K185 PolarHBondContact OD2-NZ 3.15Å; D105-Y225 WeakPolarHBondContact CB-O 3.39Å; D105-I226 HydrophobicContact CB-CG1 4.43Å
106R93.8Very high95.6Very high146 Ų14627.1 Ų27.155%0.55114%0.137SC*.THydrogen-bonded Turntrans-64.1-10.4-178.6-72.1-172.7-179.8-73.2-0.6115.1H223 Y225R106-H223 VanDerWaalsContact CZ-O 3.32Å; R106-H223 PolarHBondContact NE-O 3.36Å; R106-H223 PolarHBondContact NH2-O 3.16Å; R106-Y225 WeakPolarHBondContact CG-O 3.41Å; R106-Y225 PolarHBondContact N-O 3.26Å
107E92.7Very high95.6Very high126 Ų12629.7 Ų29.759%0.58914%0.142SC*.THydrogen-bonded Turntrans-104.211.6176.5-70.6159.7-127.900111.2D105 N109 K185D105-E107 PolarHBondContact O-N 3.43Å; D105-E107 WeakPolarHBondContact OD1-CA 3.49Å; D105-E107 WeakPolarHBondContact OD1-CB 3.34Å; D105-E107 PolarHBondContact OD1-N 2.82Å; E107-N109 VanDerWaalsContact C-N 3.33Å; E107-N109 VanDerWaalsContact CB-ND2 3.28Å; E107-N109 WeakPolarHBondContact CB-ND2 3.29Å; E107-N109 PolarHBondContact O-N 3.43Å; E107-K185 IonicContact OE1-NZ 3.64Å; E107-K185 PolarHBondContact OE1-NZ 3.09Å; E107-K185 IonicContact OE2-NZ 2.75Å; E107-K185 PolarHBondContact OE2-NZ 3.29Å
108G90.3Very high95.7Very high22 Ų2233.3 Ų33.323%0.22716%0.16CC..SBendtrans79.56.6177.900000115Y104 D105Y104-G108 WeakPolarHBondContact CD1-O 3.18Å; D105-G108 PolarHBondContact O-N 3.02Å; D105-G108 PolarHBondContact OD1-N 2.93Å
109N94.3Very high95.6Very high16 Ų1633.6 Ų33.69%0.08616%0.159CC..PPolyproline II helixtrans-79.5135.3-179.6-51.2-88.3000110.2Y104 D105 E107 L111 P148 S184Y104-N109 CarbonylContact C-O 3.6Å; Y104-N109 WeakPolarHBondContact CA-O 3.49Å; D105-N109 PolarHBondContact N-O 2.9Å; D105-N109 WeakPolarHBondContact OD1-CB 3.22Å; D105-N109 PolarHBondContact OD1-N 2.97Å; D105-N109 PolarHBondContact OD1-ND2 3.05Å; D105-N109 PolarHBondContact OD2-ND2 2.64Å; E107-N109 VanDerWaalsContact C-N 3.33Å; E107-N109 VanDerWaalsContact CB-ND2 3.28Å; E107-N109 WeakPolarHBondContact CB-ND2 3.29Å; E107-N109 PolarHBondContact O-N 3.43Å; N109-L111 PolarHBondContact O-N 3.29Å; N109-P148 WeakPolarHBondContact OD1-CG 3.33Å; N109-S184 PolarHBondContact ND2-OG 3.26Å; N109-S184 WeakPolarHBondContact OD1-CB 3.48Å; N109-S184 PolarHBondContact OD1-OG 2.67Å
110K94.4Very high95.4Very high10 Ų1038.8 Ų38.84%0.04319%0.185CC..EExtended strand (participates in β ladder)trans-61.4136177.2-165.574.5178.6-169.80110.5L101 G103 Y104 Y140 L149 T150 F253L101-K110 HydrophobicContact CD2-CG 4.23Å; G103-K110 WeakPolarHBondContact O-CD 3.44Å; Y104-K110 HydrophobicContact CD1-CB 4.46Å; Y104-K110 HydrophobicContact CD1-CD 4.04Å; Y104-K110 HydrophobicContact CE1-CB 4.31Å; Y104-K110 HydrophobicContact CE1-CD 3.49Å; Y104-K110 VanDerWaalsContact CE1-CD 3.49Å; Y104-K110 HydrophobicContact CE2-CD 4.1Å; Y104-K110 PolarHBondContact OH-NZ 2.78Å; K110-Y140 HydrophobicContact CB-CE1 4.42Å; K110-Y140 HydrophobicContact CB-CE2 3.67Å; K110-Y140 WeakPolarHBondContact CB-OH 3.15Å; K110-Y140 HydrophobicContact CG-CD2 4.48Å; K110-Y140 HydrophobicContact CG-CE2 3.98Å; K110-L149 WeakPolarHBondContact O-CA 3.46Å; K110-L149 WeakPolarHBondContact O-CB 3.48Å; K110-T150 PolarHBondContact O-N 2.83Å; K110-F253 HydrophobicContact CD-CD1 3.9Å; K110-F253 HydrophobicContact CD-CE1 3.49Å; K110-F253 VanDerWaalsContact CD-CE1 3.49Å; K110-F253 HydrophobicContact CD-CZ 4.36Å; K110-F253 HydrophobicContact CG-CE1 3.89Å; K110-F253 VanDerWaalsContact NZ-CD1 3.32Å
111L97.5Very high95.2Very high0 Ų043.3 Ų43.30%021%0.205CC..EExtended strand (participates in β ladder)trans-83.4127.6176.9-53.9170.9000110.9L101 H102 G103 D105 N109 W113 T150 V152 I226 H230L101-L111 WeakPolarHBondContact CA-O 3.03Å; H102-L111 PolarHBondContact N-O 2.83Å; H102-L111 WeakPolarHBondContact O-CB 3.36Å; G103-L111 PolarHBondContact O-N 3.15Å; D105-L111 HydrophobicContact CB-CD2 3.71Å; N109-L111 PolarHBondContact O-N 3.29Å; L111-W113 HydrophobicContact CD1-CZ2 3.79Å; L111-T150 CarbonylContact C-O 3.57Å; L111-T150 WeakPolarHBondContact CA-O 3.5Å; L111-T150 HydrophobicContact CD2-CG2 3.89Å; L111-V152 HydrophobicContact CB-CG2 4.36Å; L111-V152 HydrophobicContact CD2-CG2 3.92Å; L111-I226 HydrophobicContact CD1-CD1 4.05Å; L111-I226 HydrophobicContact CD1-CG2 3.74Å; L111-I226 HydrophobicContact CD2-CD1 3.76Å; L111-I226 HydrophobicContact CD2-CG1 4.05Å; L111-H230 HydrophobicContact CD1-CB 4.33Å
112F98.3Very high95Very high0 Ų046.4 Ų46.40%022%0.221CC..EExtended strand (participates in β ladder)trans-109.298.6173.3-171.7-152.2000109.9V99 L101 F114 V133 W136 L137 L149 T150 V151 V152 F175V99-F112 HydrophobicContact CG1-CD2 4.25Å; V99-F112 HydrophobicContact CG1-CE2 3.33Å; V99-F112 HydrophobicContact CG1-CZ 3.6Å; L101-F112 HydrophobicContact CD2-CB 3.72Å; L101-F112 HydrophobicContact CD2-CD2 3.59Å; L101-F112 HydrophobicContact CD2-CE2 4.45Å; L101-F112 HydrophobicContact CD2-CG 3.86Å; L101-F112 HydrophobicContact CG-CD2 4.07Å; F112-F114 AromaticContact CD1-CE2 3.65Å; F112-F114 HydrophobicContact CD1-CE2 3.65Å; F112-F114 HydrophobicContact CD1-CZ 4.28Å; F112-F114 HydrophobicContact CD2-CE2 4.42Å; F112-F114 AromaticContact CE1-CE2 3.55Å; F112-F114 HydrophobicContact CE1-CE2 3.55Å; F112-F114 AromaticContact CE1-CZ 3.72Å; F112-F114 HydrophobicContact CE1-CZ 3.72Å; F112-F114 HydrophobicContact CE2-CE2 4.35Å; F112-F114 HydrophobicContact CG-CE2 4.08Å; F112-F114 AromaticContact CZ-CE2 3.92Å; F112-F114 HydrophobicContact CZ-CE2 3.92Å; F112-F114 AromaticContact CZ-CZ 3.92Å; F112-F114 HydrophobicContact CZ-CZ 3.92Å; F112-V133 HydrophobicContact CE1-CG1 4.17Å; F112-V133 HydrophobicContact CZ-CG1 4.24Å; F112-W136 HydrophobicContact CD2-CB 4.46Å; F112-W136 HydrophobicContact CE2-CB 3.41Å; F112-W136 VanDerWaalsContact CE2-CB 3.41Å; F112-W136 HydrophobicContact CE2-CD2 4.46Å; F112-W136 AromaticContact CE2-CG 3.7Å; F112-W136 HydrophobicContact CE2-CG 3.7Å; F112-W136 HydrophobicContact CZ-CB 3.5Å; F112-W136 HydrophobicContact CZ-CG 4.14Å; F112-L137 HydrophobicContact CD1-CD2 4.08Å; F112-L137 HydrophobicContact CE1-CD2 3.74Å; F112-L137 HydrophobicContact CE1-CG 4.13Å; F112-L149 HydrophobicContact CB-CD1 3.95Å; F112-L149 HydrophobicContact CB-CD2 4.11Å; F112-L149 HydrophobicContact CB-CG 4.5Å; F112-L149 HydrophobicContact CD1-CD1 4.25Å; F112-L149 HydrophobicContact CD1-CD2 4Å; F112-L149 HydrophobicContact CG-CD2 4.31Å; F112-T150 PolarHBondContact N-O 2.84Å; F112-V151 HydrophobicContact CD1-CG2 4.39Å; F112-V151 CarbonylContact O-C 3.58Å; F112-V151 WeakPolarHBondContact O-CA 3.22Å; F112-V152 PolarHBondContact O-N 3.03Å; F112-F175 HydrophobicContact CD1-CZ 4.49Å
113W98.3Very high94.9Very high9 Ų948.9 Ų48.93%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-82.8137.3-171.2-70.192.5000112.2V99 F100 H102 L111 V152 D154 I226 L231 P232 L235V99-W113 VanDerWaalsContact CA-O 3.25Å; V99-W113 WeakPolarHBondContact CA-O 2.97Å; F100-W113 HydrophobicContact CD1-CB 4.12Å; F100-W113 HydrophobicContact CD2-CB 4.17Å; F100-W113 HydrophobicContact CD2-CG 4.39Å; F100-W113 HydrophobicContact CE1-CB 3.74Å; F100-W113 HydrophobicContact CE1-CG 4.42Å; F100-W113 HydrophobicContact CE2-CB 3.8Å; F100-W113 AromaticContact CE2-CD1 3.58Å; F100-W113 AromaticContact CE2-CG 3.74Å; F100-W113 HydrophobicContact CE2-CG 3.74Å; F100-W113 HydrophobicContact CG-CB 4.31Å; F100-W113 HydrophobicContact CZ-CB 3.56Å; F100-W113 HydrophobicContact CZ-CD2 4.44Å; F100-W113 AromaticContact CZ-CG 3.75Å; F100-W113 HydrophobicContact CZ-CG 3.75Å; F100-W113 PolarHBondContact N-O 2.88Å; F100-W113 VanDerWaalsContact N-O 3.15Å; F100-W113 PolarHBondContact O-N 2.72Å; H102-W113 PolarHBondContact O-NE1 2.99Å; L111-W113 HydrophobicContact CD1-CZ2 3.79Å; W113-V152 CarbonylContact C-O 3.59Å; W113-V152 HydrophobicContact CD2-CB 4.06Å; W113-V152 HydrophobicContact CD2-CG1 4.42Å; W113-V152 HydrophobicContact CE3-CB 3.73Å; W113-V152 HydrophobicContact CE3-CG1 3.67Å; W113-V152 HydrophobicContact CH2-CB 4.43Å; W113-V152 HydrophobicContact CH2-CG1 3.92Å; W113-V152 HydrophobicContact CZ3-CB 3.94Å; W113-V152 HydrophobicContact CZ3-CG1 3.38Å; W113-D154 HydrophobicContact CE3-CB 4.48Å; W113-D154 HydrophobicContact CZ3-CB 4.47Å; W113-I226 HydrophobicContact CH2-CD1 4.42Å; W113-I226 HydrophobicContact CZ2-CD1 4.46Å; W113-L231 HydrophobicContact CH2-CD2 4.03Å; W113-P232 HydrophobicContact CH2-CG 4.36Å; W113-L235 HydrophobicContact CH2-CD1 3.97Å; W113-L235 HydrophobicContact CZ3-CD1 3.8Å
114F98.6Very high95Very high7 Ų757.5 Ų57.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-124.9107.3168.5-74.4-105.8000108.4A98 V99 F112 V116 V133 V151 V152 F153 D154 F167 V171A98-F114 WeakPolarHBondContact O-CA 3.02Å; V99-F114 HydrophobicContact CG1-CD1 4.44Å; V99-F114 HydrophobicContact CG1-CE1 4.15Å; V99-F114 HydrophobicContact CG1-CE2 4.33Å; V99-F114 HydrophobicContact CG1-CZ 4.08Å; V99-F114 HydrophobicContact CG2-CD1 3.62Å; V99-F114 HydrophobicContact CG2-CE1 3.81Å; V99-F114 HydrophobicContact CG2-CG 4.25Å; F112-F114 AromaticContact CD1-CE2 3.65Å; F112-F114 HydrophobicContact CD1-CE2 3.65Å; F112-F114 HydrophobicContact CD1-CZ 4.28Å; F112-F114 HydrophobicContact CD2-CE2 4.42Å; F112-F114 AromaticContact CE1-CE2 3.55Å; F112-F114 HydrophobicContact CE1-CE2 3.55Å; F112-F114 AromaticContact CE1-CZ 3.72Å; F112-F114 HydrophobicContact CE1-CZ 3.72Å; F112-F114 HydrophobicContact CE2-CE2 4.35Å; F112-F114 HydrophobicContact CG-CE2 4.08Å; F112-F114 AromaticContact CZ-CE2 3.92Å; F112-F114 HydrophobicContact CZ-CE2 3.92Å; F112-F114 AromaticContact CZ-CZ 3.92Å; F112-F114 HydrophobicContact CZ-CZ 3.92Å; F114-V116 HydrophobicContact CB-CG2 4.49Å; F114-V116 PolarHBondContact O-N 3.4Å; F114-V133 HydrophobicContact CE1-CG2 3.77Å; F114-V133 HydrophobicContact CZ-CG1 4.19Å; F114-V133 HydrophobicContact CZ-CG2 3.94Å; F114-V151 HydrophobicContact CD2-CG1 3.66Å; F114-V151 HydrophobicContact CE2-CG1 3.72Å; F114-V152 PolarHBondContact N-O 3.47Å; F114-F153 HydrophobicContact CB-CD1 3.61Å; F114-F153 HydrophobicContact CB-CE1 3.93Å; F114-F153 HydrophobicContact CB-CG 4.43Å; F114-F153 AromaticContact CD1-CE1 3.99Å; F114-F153 HydrophobicContact CD1-CE1 3.99Å; F114-F153 HydrophobicContact CD2-CD1 4.5Å; F114-F153 HydrophobicContact CD2-CE1 4.17Å; F114-F153 AromaticContact CG-CD1 3.99Å; F114-F153 HydrophobicContact CG-CD1 3.99Å; F114-F153 AromaticContact CG-CE1 3.77Å; F114-F153 HydrophobicContact CG-CE1 3.77Å; F114-D154 PolarHBondContact O-N 3.44Å; F114-F167 HydrophobicContact CD1-CE1 4.35Å; F114-F167 HydrophobicContact CE1-CE1 4.11Å; F114-F167 HydrophobicContact CE1-CZ 4.17Å; F114-V171 HydrophobicContact CE1-CG2 4.1Å; F114-V171 HydrophobicContact CZ-CG1 4.26Å; F114-V171 HydrophobicContact CZ-CG2 4.27Å
115K97.8Very high95Very high63 Ų6357.7 Ų57.727%0.27429%0.287SS..EExtended strand (participates in β ladder)trans-82.788.9174.3-73.7-178.8177.6166.50109.6A98 F100 K117 L118A98-K115 PolarHBondContact O-N 3.03Å; F100-K115 HydrophobicContact CE1-CD 4.07Å; F100-K115 HydrophobicContact CE1-CG 4.28Å; K115-K117 VanDerWaalsContact C-N 3.26Å; K115-K117 PolarHBondContact O-N 2.82Å; K115-L118 HydrophobicContact CB-CD1 3.98Å; K115-L118 HydrophobicContact CB-CG 4.21Å; K115-L118 HydrophobicContact CD-CD1 4.16Å; K115-L118 WeakPolarHBondContact O-CB 3.26Å; K115-L118 PolarHBondContact O-N 3.42Å
116V96.9Very high95Very high22 Ų2259.6 Ų59.613%0.13330%0.299CS..G310 helixtrans-64.7-29.2-166.2-1790000112.7F114 L118 H119 F153 D154 M155 N162F114-V116 HydrophobicContact CB-CG2 4.49Å; F114-V116 PolarHBondContact O-N 3.4Å; V116-L118 PolarHBondContact O-N 3.46Å; V116-L118 VanDerWaalsContact O-N 3.11Å; V116-H119 PolarHBondContact O-N 2.85Å; V116-F153 HydrophobicContact CG2-CB 4.18Å; V116-F153 HydrophobicContact CG2-CD1 3.92Å; V116-D154 PolarHBondContact N-O 3.3Å; V116-M155 HydrophobicContact CB-SD 3.78Å; V116-M155 HydrophobicContact CG1-CE 4.16Å; V116-M155 HydrophobicContact CG1-SD 3.79Å; V116-M155 HydrophobicContact CG2-SD 3.59Å; V116-M155 VanDerWaalsContact CG2-SD 3.59Å; V116-N162 HydrophobicContact CG1-CB 4.02Å; V116-N162 WeakPolarHBondContact O-CB 3.15Å; V116-N162 PolarHBondContact O-ND2 3.35Å
117K96.3Very high95.1Very high101 Ų10156.4 Ų56.444%0.43930%0.295SS..G310 helixtrans-50.6-34170.3-173.1-169.4-174.6-177.90113.4K115 E157 N162K115-K117 VanDerWaalsContact C-N 3.26Å; K115-K117 PolarHBondContact O-N 2.82Å; K117-E157 HydrophobicContact CD-CB 3.86Å; K117-E157 WeakPolarHBondContact CE-OE2 3.23Å; K117-E157 HydrophobicContact CG-CB 4.45Å; K117-E157 IonicContact NZ-OE2 3.51Å; K117-E157 PolarHBondContact NZ-OE2 3.27Å; K117-N162 PolarHBondContact O-ND2 3.13Å
118L96.5Very high95.2Very high80 Ų8052.9 Ų52.942%0.41928%0.281SS..G310 helixtrans-86-8.2-177.3-55.1-179.7000113S96 A98 K115 V116 I120S96-L118 WeakPolarHBondContact O-CD1 3.45Å; A98-L118 HydrophobicContact CB-CB 3.84Å; A98-L118 HydrophobicContact CB-CD1 4.41Å; K115-L118 HydrophobicContact CB-CD1 3.98Å; K115-L118 HydrophobicContact CB-CG 4.21Å; K115-L118 HydrophobicContact CD-CD1 4.16Å; K115-L118 WeakPolarHBondContact O-CB 3.26Å; K115-L118 PolarHBondContact O-N 3.42Å; V116-L118 PolarHBondContact O-N 3.46Å; V116-L118 VanDerWaalsContact O-N 3.11Å; L118-I120 PolarHBondContact O-N 3.14Å
119H95.4Very high95.5Very high22 Ų2253.1 Ų53.110%0.10228%0.275CS..  trans-78.9120.9175.9-174.767.2000111.7V116 K129 N162 D164 F167V116-H119 PolarHBondContact O-N 2.85Å; H119-K129 PolarHBondContact CE1-NZ 3.41Å; H119-K129 VanDerWaalsContact CE1-NZ 3.34Å; H119-K129 PolarHBondContact ND1-NZ 3.07Å; H119-N162 PolarHBondContact CD2-O 3.28Å; H119-N162 PolarHBondContact O-ND2 3.42Å; H119-D164 IonicContact CE1-OD2 3.62Å; H119-D164 WeakPolarHBondContact NE2-CB 3.18Å; H119-D164 IonicContact NE2-OD2 2.7Å; H119-D164 PolarHBondContact NE2-OD2 3.09Å; H119-F167 AromaticContact CE1-CD1 3.99Å
120I91.5Very high95.7Very high120 Ų12054.4 Ų54.462%0.61528%0.28SS*.  trans-109.3126.3171.7-58.7172.6000108.5L118 D122 K129L118-I120 PolarHBondContact O-N 3.14Å; I120-D122 PolarHBondContact O-N 3.26Å; I120-K129 PolarHBondContact O-NZ 2.7Å
121K92.4Very high95.9Very high103 Ų10356.4 Ų56.445%0.44829%0.289SS..  trans-73.8107.9172.1-176.1166.4-174.1142.70110D164 D166K121-D164 HydrophobicContact CB-CB 4.34Å; K121-D164 HydrophobicContact CD-CB 4.15Å; K121-D164 WeakPolarHBondContact CE-OD1 3.04Å; K121-D164 HydrophobicContact CG-CB 4.36Å; K121-D164 IonicContact NZ-OD1 3.54Å; K121-D164 PolarHBondContact NZ-OD1 2.97Å; K121-D166 IonicContact NZ-OD2 2.72Å; K121-D166 PolarHBondContact NZ-OD2 3.06Å
122D92.6Very high95.9Very high66 Ų6656.8 Ų56.835%0.35329%0.291SS..  trans-134.8120.5173.1175.110000109.7I120 K124 T125 V126I120-D122 PolarHBondContact O-N 3.26Å; D122-K124 PolarHBondContact O-N 2.98Å; D122-K124 VanDerWaalsContact O-N 3.16Å; D122-K124 PolarHBondContact OD1-N 3.48Å; D122-T125 PolarHBondContact O-N 2.82Å; D122-T125 PolarHBondContact O-OG1 2.91Å; D122-V126 WeakPolarHBondContact O-CG2 3.47Å; D122-V126 PolarHBondContact O-N 3.28Å
123A92.4Very high95.9Very high90 Ų9056.9 Ų56.974%0.74429%0.291SS*.G310 helixtrans-54-32.117900000113.2T125A123-T125 VanDerWaalsContact C-N 3.28Å; A123-T125 PolarHBondContact O-N 3.08Å
124K94.5Very high95.9Very high185 Ų18556.4 Ų56.480%0.80429%0.289SS*.G310 helixtrans-69-24.9-179.9-63.3179179.1179.40113.5D122D122-K124 PolarHBondContact O-N 2.98Å; D122-K124 VanDerWaalsContact O-N 3.16Å; D122-K124 PolarHBondContact OD1-N 3.48Å
125T94.9Very high95.8Very high17 Ų1756.8 Ų56.810%0.10429%0.291CS..G310 helixtrans-107.42.5-173.565.90000113.4W92 D122 A123 V127 D128 K129W92-T125 HydrophobicContact CH2-CG2 4.04Å; W92-T125 HydrophobicContact CZ2-CG2 3.78Å; D122-T125 PolarHBondContact O-N 2.82Å; D122-T125 PolarHBondContact O-OG1 2.91Å; A123-T125 VanDerWaalsContact C-N 3.28Å; A123-T125 PolarHBondContact O-N 3.08Å; T125-V127 PolarHBondContact O-N 3.2Å; T125-D128 PolarHBondContact O-N 3.03Å; T125-K129 WeakPolarHBondContact O-CB 3.49Å; T125-K129 VanDerWaalsContact O-CG 3.3Å; T125-K129 WeakPolarHBondContact O-CG 3.22Å; T125-K129 PolarHBondContact O-N 3.2Å; T125-K129 WeakPolarHBondContact OG1-CE 3.35Å
126V95.1Very high95.8Very high46 Ų4653.8 Ų53.828%0.27928%0.278SS..Hα-helixtrans-58.7-44.9-174.6173.50000112.2D122 K130D122-V126 WeakPolarHBondContact O-CG2 3.47Å; D122-V126 PolarHBondContact O-N 3.28Å; V126-K130 HydrophobicContact CG1-CD 4.36Å; V126-K130 VanDerWaalsContact O-CG 3.26Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 3.34Å
127V95.6Very high95.8Very high79 Ų7952.8 Ų52.848%0.47927%0.272SS..Hα-helixtrans-67-50.2-179.6177.50000110.3F79 T125 K129 K130 K131F79-V127 HydrophobicContact CE1-CG1 4.39Å; T125-V127 PolarHBondContact O-N 3.2Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.98Å; V127-K130 WeakPolarHBondContact O-CB 3.46Å; V127-K130 PolarHBondContact O-N 3.07Å; V127-K130 VanDerWaalsContact O-N 3.1Å; V127-K131 HydrophobicContact CG1-CD 4.45Å; V127-K131 HydrophobicContact CG1-CG 4.46Å; V127-K131 PolarHBondContact O-N 3.21Å
128D96.1Very high95.7Very high53 Ų5348.8 Ų48.828%0.28325%0.254SS..Hα-helixtrans-59.5-41.6-179.3-61.1-20.2000112P90 M93 T125 K130 K131 Y132P90-D128 HydrophobicContact CG-CB 4.08Å; M93-D128 HydrophobicContact CE-CB 3.33Å; M93-D128 HydrophobicContact SD-CB 3.96Å; T125-D128 PolarHBondContact O-N 3.03Å; D128-K130 VanDerWaalsContact C-N 3.35Å; D128-K130 PolarHBondContact O-N 3.34Å; D128-K131 CarbonylContact O-C 3.57Å; D128-K131 PolarHBondContact O-N 3.34Å; D128-Y132 WeakPolarHBondContact O-CB 3.38Å; D128-Y132 PolarHBondContact O-N 3.33Å
129K96.8Very high95.6Very high26 Ų2648.1 Ų48.111%0.11325%0.246CC..Hα-helixtrans-64.5-37175.9-74.1-175.7175.4-161.40113.1M93 H119 I120 T125 V127 Y132 V133 F167M93-K129 HydrophobicContact CE-CG 3.69Å; M93-K129 HydrophobicContact SD-CG 4.23Å; H119-K129 PolarHBondContact CE1-NZ 3.41Å; H119-K129 VanDerWaalsContact CE1-NZ 3.34Å; H119-K129 PolarHBondContact ND1-NZ 3.07Å; I120-K129 PolarHBondContact O-NZ 2.7Å; T125-K129 WeakPolarHBondContact O-CB 3.49Å; T125-K129 VanDerWaalsContact O-CG 3.3Å; T125-K129 WeakPolarHBondContact O-CG 3.22Å; T125-K129 PolarHBondContact O-N 3.2Å; T125-K129 WeakPolarHBondContact OG1-CE 3.35Å; V127-K129 VanDerWaalsContact C-N 3.33Å; V127-K129 PolarHBondContact O-N 2.98Å; K129-Y132 PolarHBondContact O-N 2.93Å; K129-V133 PolarHBondContact O-N 3.37Å; K129-V133 VanDerWaalsContact O-N 3.14Å; K129-F167 HydrophobicContact CB-CD2 4.45Å; K129-F167 HydrophobicContact CB-CE2 3.96Å
130K97.6Very high95.5Very high43 Ų4347.4 Ų47.419%0.18724%0.243CC..Hα-helixtrans-66.8-46.3174.1-71.9180176-175.40110.7F79 V126 V127 D128 Y132 V133 A134 F167 Y170F79-K130 HydrophobicContact CD1-CB 4.12Å; F79-K130 HydrophobicContact CE1-CB 3.58Å; F79-K130 HydrophobicContact CE1-CD 3.61Å; F79-K130 HydrophobicContact CE1-CG 4.25Å; F79-K130 HydrophobicContact CZ-CB 4.46Å; F79-K130 HydrophobicContact CZ-CD 3.72Å; V126-K130 HydrophobicContact CG1-CD 4.36Å; V126-K130 VanDerWaalsContact O-CG 3.26Å; V126-K130 WeakPolarHBondContact O-CG 3.37Å; V126-K130 PolarHBondContact O-N 3.34Å; V127-K130 WeakPolarHBondContact O-CB 3.46Å; V127-K130 PolarHBondContact O-N 3.07Å; V127-K130 VanDerWaalsContact O-N 3.1Å; D128-K130 VanDerWaalsContact C-N 3.35Å; D128-K130 PolarHBondContact O-N 3.34Å; K130-Y132 VanDerWaalsContact C-N 3.28Å; K130-Y132 PolarHBondContact O-N 3.09Å; K130-V133 PolarHBondContact O-N 3.08Å; K130-A134 PolarHBondContact O-N 3.44Å; K130-F167 HydrophobicContact CG-CD2 4.47Å; K130-Y170 HydrophobicContact CB-CD1 4.03Å; K130-Y170 HydrophobicContact CB-CD2 4.46Å; K130-Y170 HydrophobicContact CB-CE1 3.59Å; K130-Y170 HydrophobicContact CB-CE2 4.09Å; K130-Y170 HydrophobicContact CB-CG 4.42Å; K130-Y170 HydrophobicContact CD-CD1 4.23Å; K130-Y170 HydrophobicContact CD-CD2 3.72Å; K130-Y170 HydrophobicContact CD-CE1 4.47Å; K130-Y170 HydrophobicContact CD-CE2 4.01Å; K130-Y170 HydrophobicContact CD-CG 3.82Å; K130-Y170 HydrophobicContact CG-CD1 3.55Å; K130-Y170 HydrophobicContact CG-CD2 3.97Å; K130-Y170 HydrophobicContact CG-CE1 3.69Å; K130-Y170 HydrophobicContact CG-CE2 4.11Å; K130-Y170 HydrophobicContact CG-CG 3.68Å; K130-Y170 PolarHBondContact O-OH 3.26Å
131K98Very high95.5Very high53 Ų5343 Ų4323%0.2323%0.225CC..Hα-helixtrans-59.5-37172.8-66.5-167.6-174.4-142.80112.2F79 V84 V127 D128 A134 F135F79-K131 HydrophobicContact CD1-CG 4.02Å; F79-K131 WeakPolarHBondContact O-CE 3.49Å; F79-K131 PolarHBondContact O-NZ 3.33Å; V84-K131 HydrophobicContact CG2-CB 4.4Å; V84-K131 HydrophobicContact CG2-CD 4.37Å; V84-K131 HydrophobicContact CG2-CG 4.47Å; V127-K131 HydrophobicContact CG1-CD 4.45Å; V127-K131 HydrophobicContact CG1-CG 4.46Å; V127-K131 PolarHBondContact O-N 3.21Å; D128-K131 CarbonylContact O-C 3.57Å; D128-K131 PolarHBondContact O-N 3.34Å; K131-A134 CarbonylContact O-C 3.47Å; K131-A134 PolarHBondContact O-N 2.74Å; K131-F135 WeakPolarHBondContact O-CB 3.35Å; K131-F135 PolarHBondContact O-N 3.21Å
132Y97.8Very high95.4Very high8 Ų844.6 Ų44.63%0.03123%0.232CC..Hα-helixtrans-64.8-41.2177.4-176.8-134.3000112.8I89 M93 F94 V99 D128 K129 K130 W136I89-Y132 HydrophobicContact CD1-CD2 4.32Å; I89-Y132 HydrophobicContact CG2-CD2 3.92Å; I89-Y132 HydrophobicContact CG2-CG 4.35Å; M93-Y132 HydrophobicContact CB-CD1 4.06Å; M93-Y132 HydrophobicContact CB-CD2 4.45Å; M93-Y132 HydrophobicContact CB-CE1 4.22Å; M93-Y132 HydrophobicContact CB-CG 4.19Å; M93-Y132 HydrophobicContact SD-CD1 4.48Å; M93-Y132 HydrophobicContact SD-CG 4.35Å; F94-Y132 HydrophobicContact CD1-CD2 4.43Å; F94-Y132 AromaticContact CD1-CE2 3.5Å; F94-Y132 HydrophobicContact CD1-CE2 3.5Å; F94-Y132 HydrophobicContact CE1-CD2 4.07Å; F94-Y132 AromaticContact CE1-CE2 3.5Å; F94-Y132 HydrophobicContact CE1-CE2 3.5Å; F94-Y132 VanDerWaalsContact CE1-CE2 3.5Å; F94-Y132 HydrophobicContact CG-CE2 4.1Å; F94-Y132 HydrophobicContact CZ-CD2 4.26Å; F94-Y132 HydrophobicContact CZ-CE2 4.09Å; V99-Y132 HydrophobicContact CB-CD1 4.32Å; V99-Y132 HydrophobicContact CB-CE1 3.76Å; V99-Y132 HydrophobicContact CG2-CE1 4.35Å; V99-Y132 PolarHBondContact O-OH 3.44Å; D128-Y132 WeakPolarHBondContact O-CB 3.38Å; D128-Y132 PolarHBondContact O-N 3.33Å; K129-Y132 PolarHBondContact O-N 2.93Å; K130-Y132 VanDerWaalsContact C-N 3.28Å; K130-Y132 PolarHBondContact O-N 3.09Å; Y132-W136 AromaticContact CD2-NE1 3.95Å; Y132-W136 AromaticContact CE2-CD1 3.76Å; Y132-W136 AromaticContact CE2-NE1 3.16Å; Y132-W136 AromaticContact CZ-CD1 3.99Å; Y132-W136 AromaticContact CZ-NE1 3.23Å; Y132-W136 VanDerWaalsContact O-CD1 3.24Å; Y132-W136 PolarHBondContact O-N 3.15Å; Y132-W136 PolarHBondContact OH-NE1 3.21Å; Y132-W136 VanDerWaalsContact OH-NE1 3.15Å
133V98.3Very high95.1Very high1 Ų145.6 Ų45.61%0.00623%0.233CC..Hα-helixtrans-64.2-44.6169.9173.30000110.8F112 F114 K129 K130 F135 W136 L137 F167 Y170F112-V133 HydrophobicContact CE1-CG1 4.17Å; F112-V133 HydrophobicContact CZ-CG1 4.24Å; F114-V133 HydrophobicContact CE1-CG2 3.77Å; F114-V133 HydrophobicContact CZ-CG1 4.19Å; F114-V133 HydrophobicContact CZ-CG2 3.94Å; K129-V133 PolarHBondContact O-N 3.37Å; K129-V133 VanDerWaalsContact O-N 3.14Å; K130-V133 PolarHBondContact O-N 3.08Å; V133-F135 VanDerWaalsContact C-N 3.31Å; V133-F135 PolarHBondContact O-N 3.19Å; V133-W136 PolarHBondContact O-N 3.25Å; V133-L137 HydrophobicContact CG1-CD1 4.01Å; V133-L137 HydrophobicContact CG1-CG 4.44Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.92Å; V133-L137 VanDerWaalsContact O-N 3.13Å; V133-F167 HydrophobicContact CG2-CE2 3.96Å; V133-F167 HydrophobicContact CG2-CZ 3.58Å; V133-Y170 HydrophobicContact CB-CE1 4.34Å; V133-Y170 HydrophobicContact CG1-CE1 4.49Å
134A97.9Very high94.8Very high0 Ų043.3 Ų43.30%021%0.207CC..Hα-helixtrans-63.7-34.1-179.900000113.2W75 I81 K130 K131 L137 E138W75-A134 HydrophobicContact CH2-CB 4.2Å; W75-A134 HydrophobicContact CZ2-CB 3.93Å; I81-A134 HydrophobicContact CD1-CB 3.66Å; K130-A134 PolarHBondContact O-N 3.44Å; K131-A134 CarbonylContact O-C 3.47Å; K131-A134 PolarHBondContact O-N 2.74Å; A134-L137 PolarHBondContact O-N 3.49Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 WeakPolarHBondContact O-CG 3.37Å; A134-E138 PolarHBondContact O-N 3.2Å
135F97.6Very high94.4Very high14 Ų1439.2 Ų39.26%0.06120%0.199CC..Hα-helixtrans-57.8-50.1172.6168.5-93.7000112V84 E86 I89 F94 K131 V133 L137 E138 R139 L248V84-F135 HydrophobicContact CG1-CB 3.51Å; V84-F135 HydrophobicContact CG1-CD2 4.04Å; V84-F135 HydrophobicContact CG1-CG 4.29Å; E86-F135 HydrophobicContact CB-CE2 4.32Å; E86-F135 HydrophobicContact CB-CZ 4.37Å; I89-F135 HydrophobicContact CD1-CB 3.34Å; I89-F135 HydrophobicContact CD1-CD1 4.48Å; I89-F135 HydrophobicContact CD1-CD2 4.03Å; I89-F135 HydrophobicContact CD1-CG 3.71Å; F94-F135 AromaticContact CE1-CD1 3.95Å; F94-F135 HydrophobicContact CE1-CD1 3.95Å; F94-F135 AromaticContact CE1-CE1 3.63Å; F94-F135 HydrophobicContact CE1-CE1 3.63Å; F94-F135 HydrophobicContact CE1-CZ 4.15Å; F94-F135 HydrophobicContact CZ-CD1 4.33Å; F94-F135 HydrophobicContact CZ-CE1 4.18Å; F94-F135 HydrophobicContact CZ-CZ 4.4Å; K131-F135 WeakPolarHBondContact O-CB 3.35Å; K131-F135 PolarHBondContact O-N 3.21Å; V133-F135 VanDerWaalsContact C-N 3.31Å; V133-F135 PolarHBondContact O-N 3.19Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.69Å; F135-E138 PolarHBondContact O-N 3.07Å; F135-R139 WeakPolarHBondContact O-CB 3.47Å; F135-R139 PolarHBondContact O-N 2.91Å; F135-L248 HydrophobicContact CE1-CD1 4.24Å; F135-L248 HydrophobicContact CZ-CD1 3.89Å
136W97.3Very high93.7Very high1 Ų141.7 Ų41.70%0.00423%0.228CC..Hα-helixtrans-61.6-38.7178-78115.2000112V99 F100 L101 F112 Y132 V133 Y140 L248 P249 D250V99-W136 PolarHBondContact O-NE1 3.45Å; F100-W136 HydrophobicContact CB-CZ2 4.22Å; L101-W136 HydrophobicContact CB-CE3 4.32Å; L101-W136 HydrophobicContact CB-CZ3 4.28Å; L101-W136 HydrophobicContact CD1-CE3 3.61Å; L101-W136 HydrophobicContact CD1-CZ3 4.09Å; L101-W136 HydrophobicContact CG-CE3 3.77Å; L101-W136 HydrophobicContact CG-CZ3 4.21Å; F112-W136 HydrophobicContact CD2-CB 4.46Å; F112-W136 HydrophobicContact CE2-CB 3.41Å; F112-W136 VanDerWaalsContact CE2-CB 3.41Å; F112-W136 HydrophobicContact CE2-CD2 4.46Å; F112-W136 AromaticContact CE2-CG 3.7Å; F112-W136 HydrophobicContact CE2-CG 3.7Å; F112-W136 HydrophobicContact CZ-CB 3.5Å; F112-W136 HydrophobicContact CZ-CG 4.14Å; Y132-W136 AromaticContact CD2-NE1 3.95Å; Y132-W136 AromaticContact CE2-CD1 3.76Å; Y132-W136 AromaticContact CE2-NE1 3.16Å; Y132-W136 AromaticContact CZ-CD1 3.99Å; Y132-W136 AromaticContact CZ-NE1 3.23Å; Y132-W136 VanDerWaalsContact O-CD1 3.24Å; Y132-W136 PolarHBondContact O-N 3.15Å; Y132-W136 PolarHBondContact OH-NE1 3.21Å; Y132-W136 VanDerWaalsContact OH-NE1 3.15Å; V133-W136 PolarHBondContact O-N 3.25Å; W136-Y140 WeakPolarHBondContact O-CB 3.4Å; W136-Y140 PolarHBondContact O-N 3.49Å; W136-L248 HydrophobicContact CH2-CD2 4.03Å; W136-L248 HydrophobicContact CZ2-CD2 4.21Å; W136-P249 HydrophobicContact CH2-CG 4.03Å; W136-D250 HydrophobicContact CH2-CB 4.45Å; W136-D250 HydrophobicContact CZ3-CB 3.84Å
137L96.9Very high93.2Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-69.3-48.2177.1-64.1176.6000112.5F112 V133 A134 F135 R139 Y140 A141 L149 C174 F175 Y179 F182F112-L137 HydrophobicContact CD1-CD2 4.08Å; F112-L137 HydrophobicContact CE1-CD2 3.74Å; F112-L137 HydrophobicContact CE1-CG 4.13Å; V133-L137 HydrophobicContact CG1-CD1 4.01Å; V133-L137 HydrophobicContact CG1-CG 4.44Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 2.92Å; V133-L137 VanDerWaalsContact O-N 3.13Å; A134-L137 PolarHBondContact O-N 3.49Å; F135-L137 VanDerWaalsContact C-N 3.29Å; F135-L137 PolarHBondContact O-N 2.69Å; L137-R139 PolarHBondContact O-N 3.04Å; L137-Y140 PolarHBondContact O-N 3.19Å; L137-A141 VanDerWaalsContact O-CB 3.22Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.97Å; L137-L149 HydrophobicContact CD2-CD2 3.62Å; L137-C174 HydrophobicContact CD1-CB 3.85Å; L137-F175 HydrophobicContact CD1-CZ 4.44Å; L137-F175 HydrophobicContact CD2-CE1 3.9Å; L137-F175 HydrophobicContact CD2-CZ 3.82Å; L137-Y179 HydrophobicContact CB-CD2 4.36Å; L137-Y179 HydrophobicContact CB-CE1 4.12Å; L137-Y179 HydrophobicContact CB-CE2 3.88Å; L137-Y179 HydrophobicContact CD1-CD2 3.72Å; L137-Y179 HydrophobicContact CD1-CE2 3.57Å; L137-Y179 HydrophobicContact CG-CE2 4.37Å; L137-F182 HydrophobicContact CD2-CD1 4.21Å; L137-F182 HydrophobicContact CD2-CE1 4.13Å
138E95.3Very high93Very high17 Ų1741.5 Ų41.58%0.07922%0.223CC..Hα-helixtrans-60-43.1175.4-79.5-73.9126.600111.9R76 I81 A134 F135 A141 K142 Y179R76-E138 IonicContact CZ-OE1 2.62Å; R76-E138 IonicContact NH1-OE1 2.88Å; R76-E138 PolarHBondContact NH1-OE1 3.39Å; R76-E138 IonicContact NH2-OE1 2.73Å; R76-E138 PolarHBondContact NH2-OE1 2.74Å; R76-E138 IonicContact NH2-OE2 2.77Å; R76-E138 PolarHBondContact NH2-OE2 3.12Å; I81-E138 HydrophobicContact CG2-CG 3.6Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 WeakPolarHBondContact O-CG 3.37Å; A134-E138 PolarHBondContact O-N 3.2Å; F135-E138 PolarHBondContact O-N 3.07Å; E138-A141 PolarHBondContact O-N 2.86Å; E138-K142 WeakPolarHBondContact O-CB 3.44Å; E138-K142 WeakPolarHBondContact O-CD 3.45Å; E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.4Å; E138-K142 PolarHBondContact O-N 3.37Å; E138-K142 VanDerWaalsContact OE2-CE 3.26Å; E138-K142 WeakPolarHBondContact OE2-CE 3.41Å; E138-K142 IonicContact OE2-NZ 3.83Å; E138-K142 PolarHBondContact OE2-NZ 3.5Å; E138-Y179 PolarHBondContact OE1-OH 2.77Å
139R93.3Very high93Very high66 Ų6639 Ų3925%0.24921%0.21CC..Hα-helixtrans-65.9-44.3-179.9-178.8168.2164.9101.8-5111.3F135 L137 K143 D250 D251F135-R139 WeakPolarHBondContact O-CB 3.47Å; F135-R139 PolarHBondContact O-N 2.91Å; L137-R139 PolarHBondContact O-N 3.04Å; R139-K143 WeakPolarHBondContact O-CB 3.25Å; R139-K143 PolarHBondContact O-N 3.01Å; R139-K143 VanDerWaalsContact O-N 3.15Å; R139-D250 IonicContact CZ-OD1 2.78Å; R139-D250 VanDerWaalsContact CZ-OD1 3.23Å; R139-D250 IonicContact CZ-OD2 3.67Å; R139-D250 VanDerWaalsContact NE-CG 3.26Å; R139-D250 IonicContact NE-OD1 3.89Å; R139-D250 PolarHBondContact NE-OD1 3.46Å; R139-D250 IonicContact NE-OD2 3.14Å; R139-D250 PolarHBondContact NE-OD2 2.95Å; R139-D250 IonicContact NH2-OD1 3.09Å; R139-D250 PolarHBondContact NH2-OD1 3.31Å; R139-D250 IonicContact NH2-OD2 2.8Å; R139-D251 IonicContact CZ-OD1 2.73Å; R139-D251 IonicContact NH2-OD1 3.84Å; R139-D251 PolarHBondContact NH2-OD1 2.84Å
140Y93.6Very high93.1Very high7 Ų737.8 Ų37.83%0.02720%0.204CC..Hα-helixtrans-65.7-44.7174.4-175.1-122.1000111.8L101 K110 W136 L137 K142 K143 E144 M147 P148 L149 F182 F253L101-Y140 HydrophobicContact CD1-CD2 4.32Å; L101-Y140 HydrophobicContact CD1-CG 4.26Å; K110-Y140 HydrophobicContact CB-CE1 4.42Å; K110-Y140 HydrophobicContact CB-CE2 3.67Å; K110-Y140 WeakPolarHBondContact CB-OH 3.15Å; K110-Y140 HydrophobicContact CG-CD2 4.48Å; K110-Y140 HydrophobicContact CG-CE2 3.98Å; W136-Y140 WeakPolarHBondContact O-CB 3.4Å; W136-Y140 PolarHBondContact O-N 3.49Å; L137-Y140 PolarHBondContact O-N 3.19Å; Y140-K142 VanDerWaalsContact C-N 3.26Å; Y140-K142 PolarHBondContact O-N 2.95Å; Y140-K143 PolarHBondContact O-N 3.18Å; Y140-E144 HydrophobicContact CD2-CB 4.16Å; Y140-E144 HydrophobicContact CD2-CG 4.24Å; Y140-E144 HydrophobicContact CE2-CB 3.66Å; Y140-E144 HydrophobicContact CE2-CG 3.68Å; Y140-E144 PolarHBondContact O-N 2.63Å; Y140-M147 WeakPolarHBondContact CE1-O 3.28Å; Y140-P148 PolarHBondContact OH-O 2.96Å; Y140-L149 HydrophobicContact CD1-CB 4.27Å; Y140-L149 HydrophobicContact CD1-CD2 3.94Å; Y140-L149 HydrophobicContact CE1-CB 3.8Å; Y140-L149 HydrophobicContact CE1-CD2 4.31Å; Y140-F182 AromaticContact CD1-CE1 3.76Å; Y140-F182 HydrophobicContact CD1-CE1 3.76Å; Y140-F182 HydrophobicContact CD1-CE2 4.08Å; Y140-F182 AromaticContact CD1-CZ 3.3Å; Y140-F182 HydrophobicContact CD1-CZ 3.3Å; Y140-F182 HydrophobicContact CE1-CE1 4.47Å; Y140-F182 HydrophobicContact CE1-CE2 4.21Å; Y140-F182 AromaticContact CE1-CZ 3.87Å; Y140-F182 HydrophobicContact CE1-CZ 3.87Å; Y140-F182 HydrophobicContact CG-CZ 4.2Å; Y140-F253 AromaticContact CD2-CE1 3.79Å; Y140-F253 HydrophobicContact CD2-CE1 3.79Å; Y140-F253 AromaticContact CD2-CZ 3.93Å; Y140-F253 HydrophobicContact CD2-CZ 3.93Å; Y140-F253 AromaticContact CE2-CE1 3.79Å; Y140-F253 HydrophobicContact CE2-CE1 3.79Å; Y140-F253 HydrophobicContact CE2-CZ 4.4Å
141A91.3Very high93.2Very high29 Ų2935.7 Ų35.724%0.2420%0.195CC..Hα-helixtrans-62.8-30.3-179.900000113.4L137 E138 P145 F182L137-A141 VanDerWaalsContact O-CB 3.22Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.97Å; E138-A141 PolarHBondContact O-N 2.86Å; A141-P145 WeakPolarHBondContact O-CA 3.09Å; A141-F182 HydrophobicContact CB-CE1 4.19Å; A141-F182 HydrophobicContact CB-CE2 4.1Å; A141-F182 HydrophobicContact CB-CZ 3.56Å
142K89.6Confident93.2Very high136 Ų13633.2 Ų33.259%0.59118%0.184SC*.Hα-helixtrans-77.9-30.8173.6-72.9165.8-173.2159.80113E138 Y140E138-K142 WeakPolarHBondContact O-CB 3.44Å; E138-K142 WeakPolarHBondContact O-CD 3.45Å; E138-K142 VanDerWaalsContact O-CG 3.27Å; E138-K142 WeakPolarHBondContact O-CG 3.4Å; E138-K142 PolarHBondContact O-N 3.37Å; E138-K142 VanDerWaalsContact OE2-CE 3.26Å; E138-K142 WeakPolarHBondContact OE2-CE 3.41Å; E138-K142 IonicContact OE2-NZ 3.83Å; E138-K142 PolarHBondContact OE2-NZ 3.5Å; Y140-K142 VanDerWaalsContact C-N 3.26Å; Y140-K142 PolarHBondContact O-N 2.95Å
143K87.7Confident93.2Very high86 Ų8634.1 Ų34.137%0.37419%0.189SC..Hα-helixtrans-86.3-34.8-177.7-168.6164-179.3167.80112.8R139 Y140 D250 D251 F253R139-K143 WeakPolarHBondContact O-CB 3.25Å; R139-K143 PolarHBondContact O-N 3.01Å; R139-K143 VanDerWaalsContact O-N 3.15Å; Y140-K143 PolarHBondContact O-N 3.18Å; K143-D250 PolarHBondContact NZ-O 2.87Å; K143-D251 PolarHBondContact NZ-O 2.97Å; K143-F253 HydrophobicContact CD-CD2 3.8Å; K143-F253 HydrophobicContact CD-CE2 3.72Å; K143-F253 HydrophobicContact CD-CG 4.33Å; K143-F253 HydrophobicContact CD-CZ 4.33Å; K143-F253 VanDerWaalsContact NZ-CD2 3.25Å
144E86.6Confident93.2Very high43 Ų4334.5 Ų34.520%0.20119%0.191CC..SBendtrans-133.271.1-178.3-66.2-76.6-170.100110.2Y140 G146 M147 T255Y140-E144 HydrophobicContact CD2-CB 4.16Å; Y140-E144 HydrophobicContact CD2-CG 4.24Å; Y140-E144 HydrophobicContact CE2-CB 3.66Å; Y140-E144 HydrophobicContact CE2-CG 3.68Å; Y140-E144 PolarHBondContact O-N 2.63Å; E144-G146 PolarHBondContact O-N 3.21Å; E144-M147 HydrophobicContact CB-CB 4.02Å; E144-M147 HydrophobicContact CB-CG 4.15Å; E144-M147 PolarHBondContact O-N 3.38Å; E144-T255 PolarHBondContact OE1-OG1 3.25Å
145P84.6Confident93.1Very high99 Ų9935.4 Ų35.464%0.64320%0.195SC*.THydrogen-bonded Turntrans-60.7130.9-173.4-23.935.2000113.2A141 M147A141-P145 WeakPolarHBondContact O-CA 3.09Å; P145-M147 PolarHBondContact O-N 3.16Å
146G80.8Confident93Very high69 Ų6936.4 Ų36.471%0.71120%0.202SC*.THydrogen-bonded Turntrans77-11.3179.400000115.4E144E144-G146 PolarHBondContact O-N 3.21Å
147M85.4Confident92.8Very high84 Ų8443.3 Ų43.341%0.41424%0.235SC..  trans-76.5127.2179.4-63.7-59.4-71.600111.2Y140 E144 P145 F182Y140-M147 WeakPolarHBondContact CE1-O 3.28Å; E144-M147 HydrophobicContact CB-CB 4.02Å; E144-M147 HydrophobicContact CB-CG 4.15Å; E144-M147 PolarHBondContact O-N 3.38Å; P145-M147 PolarHBondContact O-N 3.16Å; M147-F182 WeakPolarHBondContact O-CD2 3.46Å; M147-F182 WeakPolarHBondContact O-CE2 3.37Å
148P91.7Very high92.6Very high36 Ų3644 Ų4423%0.23424%0.239CC..  trans-76.6158176.829.6-32.1000112.4N109 Y140 F182N109-P148 WeakPolarHBondContact OD1-CG 3.33Å; Y140-P148 PolarHBondContact OH-O 2.96Å; P148-F182 WeakPolarHBondContact CA-O 3.46Å
149L95.8Very high92.2Very high1 Ų144.1 Ų44.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-112.7162.1173.363.875.9000112.3K110 F112 L137 Y140 V151 F175 F182 L183 S184K110-L149 WeakPolarHBondContact O-CA 3.46Å; K110-L149 WeakPolarHBondContact O-CB 3.48Å; F112-L149 HydrophobicContact CB-CD1 3.95Å; F112-L149 HydrophobicContact CB-CD2 4.11Å; F112-L149 HydrophobicContact CB-CG 4.5Å; F112-L149 HydrophobicContact CD1-CD1 4.25Å; F112-L149 HydrophobicContact CD1-CD2 4Å; F112-L149 HydrophobicContact CG-CD2 4.31Å; L137-L149 HydrophobicContact CD2-CD2 3.62Å; Y140-L149 HydrophobicContact CD1-CB 4.27Å; Y140-L149 HydrophobicContact CD1-CD2 3.94Å; Y140-L149 HydrophobicContact CE1-CB 3.8Å; Y140-L149 HydrophobicContact CE1-CD2 4.31Å; L149-V151 HydrophobicContact CD1-CB 4.46Å; L149-V151 HydrophobicContact CD1-CG2 3.37Å; L149-F175 HydrophobicContact CD1-CE1 3.81Å; L149-F175 HydrophobicContact CD1-CZ 3.8Å; L149-F175 HydrophobicContact CD2-CE1 4.23Å; L149-F175 HydrophobicContact CD2-CZ 4.44Å; L149-F175 HydrophobicContact CG-CE1 4.15Å; L149-F182 HydrophobicContact CD2-CD1 4.25Å; L149-F182 HydrophobicContact CD2-CE1 4.12Å; L149-F182 PolarHBondContact N-O 3.17Å; L149-L183 HydrophobicContact CD1-CD1 4.43Å; L149-S184 WeakPolarHBondContact O-CB 3.45Å; L149-S184 PolarHBondContact O-N 3.15Å
150T98.3Very high91.8Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-109.4114.3169.9-79.60000109.1D105 K110 L111 F112 V152 K185 I187D105-T150 HydrophobicContact CB-CG2 4.24Å; D105-T150 WeakPolarHBondContact OD2-CB 3.34Å; D105-T150 PolarHBondContact OD2-OG1 2.82Å; K110-T150 PolarHBondContact O-N 2.83Å; L111-T150 CarbonylContact C-O 3.57Å; L111-T150 WeakPolarHBondContact CA-O 3.5Å; L111-T150 HydrophobicContact CD2-CG2 3.89Å; F112-T150 PolarHBondContact N-O 2.84Å; T150-V152 HydrophobicContact CG2-CG2 4.27Å; T150-K185 WeakPolarHBondContact CA-O 3.48Å; T150-K185 HydrophobicContact CG2-CD 4.23Å; T150-K185 HydrophobicContact CG2-CG 3.76Å; T150-I187 HydrophobicContact CG2-CD1 3.57Å; T150-I187 HydrophobicContact CG2-CG1 4Å
151V98.7Very high91.7Very high0 Ų050.3 Ų50.30%029%0.291CS..EExtended strand (participates in β ladder)trans-78.8132.7177.8-175.70000109.2F112 F114 L149 F153 F175 L183 K185 M186 I187F112-V151 HydrophobicContact CD1-CG2 4.39Å; F112-V151 CarbonylContact O-C 3.58Å; F112-V151 WeakPolarHBondContact O-CA 3.22Å; F114-V151 HydrophobicContact CD2-CG1 3.66Å; F114-V151 HydrophobicContact CE2-CG1 3.72Å; L149-V151 HydrophobicContact CD1-CB 4.46Å; L149-V151 HydrophobicContact CD1-CG2 3.37Å; V151-F153 HydrophobicContact CB-CE2 4.48Å; V151-F153 HydrophobicContact CG1-CD2 3.99Å; V151-F153 HydrophobicContact CG1-CE2 3.55Å; V151-F153 HydrophobicContact CG1-CZ 3.87Å; V151-F175 HydrophobicContact CG2-CE2 3.69Å; V151-F175 HydrophobicContact CG2-CZ 3.64Å; V151-L183 HydrophobicContact CG2-CD1 3.75Å; V151-K185 PolarHBondContact N-O 2.92Å; V151-M186 HydrophobicContact CB-CB 4.22Å; V151-M186 HydrophobicContact CB-CG 4Å; V151-M186 HydrophobicContact CG2-CE 4.38Å; V151-M186 HydrophobicContact CG2-CG 4.26Å; V151-M186 CarbonylContact O-C 3.49Å; V151-M186 WeakPolarHBondContact O-CA 3.43Å; V151-I187 PolarHBondContact O-N 3.29Å
152V98.7Very high91.7Very high0 Ų049.9 Ų49.90%029%0.285CS..EExtended strand (participates in β ladder)trans-120.1108.3176.1-167.80000110.1L111 F112 W113 F114 T150 D154 I187 V189 I226L111-V152 HydrophobicContact CB-CG2 4.36Å; L111-V152 HydrophobicContact CD2-CG2 3.92Å; F112-V152 PolarHBondContact O-N 3.03Å; W113-V152 CarbonylContact C-O 3.59Å; W113-V152 HydrophobicContact CD2-CB 4.06Å; W113-V152 HydrophobicContact CD2-CG1 4.42Å; W113-V152 HydrophobicContact CE3-CB 3.73Å; W113-V152 HydrophobicContact CE3-CG1 3.67Å; W113-V152 HydrophobicContact CH2-CB 4.43Å; W113-V152 HydrophobicContact CH2-CG1 3.92Å; W113-V152 HydrophobicContact CZ3-CB 3.94Å; W113-V152 HydrophobicContact CZ3-CG1 3.38Å; F114-V152 PolarHBondContact N-O 3.47Å; T150-V152 HydrophobicContact CG2-CG2 4.27Å; V152-D154 PolarHBondContact O-N 2.81Å; V152-I187 CarbonylContact C-O 3.29Å; V152-I187 WeakPolarHBondContact CA-O 3.39Å; V152-I187 HydrophobicContact CG2-CD1 4.48Å; V152-V189 HydrophobicContact CG1-CG2 3.78Å; V152-I226 HydrophobicContact CG2-CD1 3.87Å
153F98.3Very high91.7Very high28 Ų2845.4 Ų45.412%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-86.199169.2-66.5-79.9000109F114 V116 V151 M155 V171 M186 I187 I188 V189F114-F153 HydrophobicContact CB-CD1 3.61Å; F114-F153 HydrophobicContact CB-CE1 3.93Å; F114-F153 HydrophobicContact CB-CG 4.43Å; F114-F153 AromaticContact CD1-CE1 3.99Å; F114-F153 HydrophobicContact CD1-CE1 3.99Å; F114-F153 HydrophobicContact CD2-CD1 4.5Å; F114-F153 HydrophobicContact CD2-CE1 4.17Å; F114-F153 AromaticContact CG-CD1 3.99Å; F114-F153 HydrophobicContact CG-CD1 3.99Å; F114-F153 AromaticContact CG-CE1 3.77Å; F114-F153 HydrophobicContact CG-CE1 3.77Å; V116-F153 HydrophobicContact CG2-CB 4.18Å; V116-F153 HydrophobicContact CG2-CD1 3.92Å; V151-F153 HydrophobicContact CB-CE2 4.48Å; V151-F153 HydrophobicContact CG1-CD2 3.99Å; V151-F153 HydrophobicContact CG1-CE2 3.55Å; V151-F153 HydrophobicContact CG1-CZ 3.87Å; F153-M155 HydrophobicContact CB-SD 4.38Å; F153-M155 PolarHBondContact O-N 3.31Å; F153-V171 HydrophobicContact CZ-CG1 4.04Å; F153-M186 HydrophobicContact CE2-CB 4.4Å; F153-M186 HydrophobicContact CE2-SD 4.02Å; F153-I187 PolarHBondContact N-O 3.49Å; F153-I188 HydrophobicContact CB-CG1 4.45Å; F153-I188 HydrophobicContact CD2-CG1 4.3Å; F153-V189 PolarHBondContact O-N 3.08Å
154D98Very high92Very high9 Ų941.7 Ų41.75%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-77.6102.6169.7-178.25.9000108.8W113 F114 V116 V152 T156 H234W113-D154 HydrophobicContact CE3-CB 4.48Å; W113-D154 HydrophobicContact CZ3-CB 4.47Å; F114-D154 PolarHBondContact O-N 3.44Å; V116-D154 PolarHBondContact N-O 3.3Å; V152-D154 PolarHBondContact O-N 2.81Å; D154-T156 VanDerWaalsContact C-N 3.33Å; D154-T156 WeakPolarHBondContact OD1-CB 3.22Å; D154-T156 PolarHBondContact OD1-N 3Å; D154-T156 PolarHBondContact OD1-OG1 3.14Å; D154-H234 IonicContact OD2-CD2 2.79Å; D154-H234 IonicContact OD2-CE1 3.19Å; D154-H234 IonicContact OD2-NE2 2.74Å; D154-H234 PolarHBondContact OD2-NE2 2.93Å
155M96.3Very high92.3Very high19 Ų1941.6 Ų41.69%0.09425%0.251CS..  trans-915.2178.9-51.4-74.9-63.700112.4V116 F153 E157 S158 I188 V189 M195V116-M155 HydrophobicContact CB-SD 3.78Å; V116-M155 HydrophobicContact CG1-CE 4.16Å; V116-M155 HydrophobicContact CG1-SD 3.79Å; V116-M155 HydrophobicContact CG2-SD 3.59Å; V116-M155 VanDerWaalsContact CG2-SD 3.59Å; F153-M155 HydrophobicContact CB-SD 4.38Å; F153-M155 PolarHBondContact O-N 3.31Å; M155-E157 PolarHBondContact O-N 3.28Å; M155-S158 WeakPolarHBondContact CA-OG 3.23Å; M155-S158 WeakPolarHBondContact CB-OG 3.33Å; M155-S158 VanDerWaalsContact O-CB 3.26Å; M155-S158 WeakPolarHBondContact O-CB 3.37Å; M155-S158 PolarHBondContact O-N 3.49Å; M155-S158 PolarHBondContact O-OG 3.17Å; M155-I188 HydrophobicContact CG-CG2 3.64Å; M155-I188 HydrophobicContact SD-CG2 4.33Å; M155-V189 WeakPolarHBondContact CA-O 3.27Å; M155-V189 WeakPolarHBondContact CB-O 3.41Å; M155-V189 WeakPolarHBondContact CG-O 3.48Å; M155-V189 PolarHBondContact N-O 3.37Å; M155-M195 HydrophobicContact CE-CG 3.92Å; M155-M195 HydrophobicContact CE-SD 4.01Å
156T95.8Very high92.8Very high35 Ų3541.5 Ų41.522%0.21525%0.245CC..THydrogen-bonded Turntrans-54.2127.8179.9-52.80000110.4D154 S158D154-T156 VanDerWaalsContact C-N 3.33Å; D154-T156 WeakPolarHBondContact OD1-CB 3.22Å; D154-T156 PolarHBondContact OD1-N 3Å; D154-T156 PolarHBondContact OD1-OG1 3.14Å; T156-S158 PolarHBondContact O-N 3.37Å
157E92.9Very high93.5Very high145 Ų14539.4 Ų39.468%0.67822%0.217SC*.THydrogen-bonded Turntrans57.616-177.4-64.3169.7-151.600115.5K117 M155K117-E157 HydrophobicContact CD-CB 3.86Å; K117-E157 WeakPolarHBondContact CE-OE2 3.23Å; K117-E157 HydrophobicContact CG-CB 4.45Å; K117-E157 IonicContact NZ-OE2 3.51Å; K117-E157 PolarHBondContact NZ-OE2 3.27Å; M155-E157 PolarHBondContact O-N 3.28Å
158S92.3Very high94Very high14 Ų1437.2 Ų37.210%0.09821%0.208CC..  trans-81.7159.5172.6730000112.8M155 T156M155-S158 WeakPolarHBondContact CA-OG 3.23Å; M155-S158 WeakPolarHBondContact CB-OG 3.33Å; M155-S158 VanDerWaalsContact O-CB 3.26Å; M155-S158 WeakPolarHBondContact O-CB 3.37Å; M155-S158 PolarHBondContact O-N 3.49Å; M155-S158 PolarHBondContact O-OG 3.17Å; T156-S158 PolarHBondContact O-N 3.37Å
159G86.8Confident94.3Very high21 Ų2140.5 Ų40.522%0.21622%0.219CC..  trans-144.6-174178.300000113.8S161 N162G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.16Å; G159-N162 PolarHBondContact N-OD1 3.26Å; G159-N162 WeakPolarHBondContact O-CB 2.9Å; G159-N162 PolarHBondContact O-N 2.82Å; G159-N162 PolarHBondContact O-OD1 3.04Å
160L85.8Confident94.4Very high106 Ų10641 Ų4156%0.55522%0.22SC*.G310 helixtrans-55-33.2-178.7-78.3167.6000113.7N162 I163 I194 M195L160-N162 PolarHBondContact O-N 2.98Å; L160-I163 HydrophobicContact CD2-CD1 3.75Å; L160-I163 PolarHBondContact O-N 3.35Å; L160-I194 HydrophobicContact CD1-CD1 4.2Å; L160-I194 HydrophobicContact CD1-CG1 3.76Å; L160-I194 HydrophobicContact CD2-CG1 3.91Å; L160-I194 HydrophobicContact CG-CG1 3.79Å; L160-M195 HydrophobicContact CD2-CE 3.86Å; L160-M195 HydrophobicContact CG-CE 4Å
161S89.7Confident94.3Very high97 Ų9741.1 Ų41.168%0.67822%0.221SC*.G310 helixtrans-64.8-20176.447.10000114G159G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.16Å
162N92.9Very high94.2Very high20 Ų2041.9 Ų41.911%0.10723%0.225CC..G310 helixtrans-91-7.5177.2-54.1111.8000113V116 K117 H119 G159 L160 D164V116-N162 HydrophobicContact CG1-CB 4.02Å; V116-N162 WeakPolarHBondContact O-CB 3.15Å; V116-N162 PolarHBondContact O-ND2 3.35Å; K117-N162 PolarHBondContact O-ND2 3.13Å; H119-N162 PolarHBondContact CD2-O 3.28Å; H119-N162 PolarHBondContact O-ND2 3.42Å; G159-N162 PolarHBondContact N-OD1 3.26Å; G159-N162 WeakPolarHBondContact O-CB 2.9Å; G159-N162 PolarHBondContact O-N 2.82Å; G159-N162 PolarHBondContact O-OD1 3.04Å; L160-N162 PolarHBondContact O-N 2.98Å; N162-D164 PolarHBondContact O-N 3.28Å
163I88.2Confident94.1Very high41 Ų4143.4 Ų43.421%0.2123%0.233CC..  trans-75.8122.3176-55.1173.4000109.6L160 M165 M195 A198L160-I163 HydrophobicContact CD2-CD1 3.75Å; L160-I163 PolarHBondContact O-N 3.35Å; I163-M165 HydrophobicContact CG2-CG 4Å; I163-M165 HydrophobicContact CG2-SD 3.44Å; I163-M165 WeakPolarHBondContact CG2-SD 3.27Å; I163-M195 HydrophobicContact CD1-CE 3.66Å; I163-M195 HydrophobicContact CD1-SD 3.45Å; I163-M195 WeakPolarHBondContact CD1-SD 3.41Å; I163-M195 HydrophobicContact CG1-CE 4.02Å; I163-M195 HydrophobicContact CG1-SD 3.44Å; I163-M195 WeakPolarHBondContact CG1-SD 3.37Å; I163-A198 HydrophobicContact CD1-CB 4.1Å; I163-A198 HydrophobicContact CG2-CB 4.4Å
164D93.9Very high94Very high9 Ų942.1 Ų42.15%0.04823%0.228CC..  trans-126.694.7165.8-171.3-3.9000110.2H119 K121 N162 D166 F167 V168H119-D164 IonicContact CE1-OD2 3.62Å; H119-D164 WeakPolarHBondContact NE2-CB 3.18Å; H119-D164 IonicContact NE2-OD2 2.7Å; H119-D164 PolarHBondContact NE2-OD2 3.09Å; K121-D164 HydrophobicContact CB-CB 4.34Å; K121-D164 HydrophobicContact CD-CB 4.15Å; K121-D164 WeakPolarHBondContact CE-OD1 3.04Å; K121-D164 HydrophobicContact CG-CB 4.36Å; K121-D164 IonicContact NZ-OD1 3.54Å; K121-D164 PolarHBondContact NZ-OD1 2.97Å; N162-D164 PolarHBondContact O-N 3.28Å; D164-D166 PolarHBondContact O-N 3.39Å; D164-D166 PolarHBondContact OD1-N 3.02Å; D164-F167 HydrophobicContact CB-CB 3.88Å; D164-F167 PolarHBondContact O-N 2.92Å; D164-F167 VanDerWaalsContact O-N 3.12Å; D164-V168 WeakPolarHBondContact O-CG2 3.4Å; D164-V168 PolarHBondContact O-N 2.9Å
165M92.8Very high93.9Very high41 Ų4142 Ų4220%0.20223%0.226CC..Hα-helixtrans-58.5-30.8-177.2-61-55.2-6100112.7I163 K169 A198 I201 I202 W205I163-M165 HydrophobicContact CG2-CG 4Å; I163-M165 HydrophobicContact CG2-SD 3.44Å; I163-M165 WeakPolarHBondContact CG2-SD 3.27Å; M165-K169 VanDerWaalsContact O-CB 3.29Å; M165-K169 WeakPolarHBondContact O-CB 3.29Å; M165-K169 PolarHBondContact O-N 3.31Å; M165-A198 HydrophobicContact CE-CB 4.29Å; M165-A198 HydrophobicContact SD-CB 3.77Å; M165-I201 HydrophobicContact CE-CB 3.82Å; M165-I201 HydrophobicContact CE-CD1 4.42Å; M165-I201 HydrophobicContact CE-CG2 3.71Å; M165-I202 HydrophobicContact CE-CD1 4.41Å; M165-I202 HydrophobicContact CE-CG1 3.84Å; M165-W205 HydrophobicContact CB-CH2 4.09Å; M165-W205 HydrophobicContact CE-CH2 3.4Å; M165-W205 VanDerWaalsContact CE-CH2 3.4Å; M165-W205 HydrophobicContact CE-CZ2 3.89Å; M165-W205 HydrophobicContact CE-CZ3 4.09Å; M165-W205 WeakPolarHBondContact O-CH2 3.37Å
166D95.6Very high93.7Very high97 Ų9745.7 Ų45.752%0.51924%0.242SC..Hα-helixtrans-73.3-37.4179.9-55.4-55.5000111.1K121 D164 Y170K121-D166 IonicContact NZ-OD2 2.72Å; K121-D166 PolarHBondContact NZ-OD2 3.06Å; D164-D166 PolarHBondContact O-N 3.39Å; D164-D166 PolarHBondContact OD1-N 3.02Å; D166-Y170 WeakPolarHBondContact O-CB 3.36Å; D166-Y170 PolarHBondContact O-N 3.26Å; D166-Y170 VanDerWaalsContact O-N 3.08Å
167F96.9Very high93.6Very high24 Ų2444.2 Ų44.211%0.10523%0.233CC..Hα-helixtrans-71.3-42.5172.9-172.8-111.3000111.9F114 H119 K129 K130 V133 D164 K169 Y170 V171F114-F167 HydrophobicContact CD1-CE1 4.35Å; F114-F167 HydrophobicContact CE1-CE1 4.11Å; F114-F167 HydrophobicContact CE1-CZ 4.17Å; H119-F167 AromaticContact CE1-CD1 3.99Å; K129-F167 HydrophobicContact CB-CD2 4.45Å; K129-F167 HydrophobicContact CB-CE2 3.96Å; K130-F167 HydrophobicContact CG-CD2 4.47Å; V133-F167 HydrophobicContact CG2-CE2 3.96Å; V133-F167 HydrophobicContact CG2-CZ 3.58Å; D164-F167 HydrophobicContact CB-CB 3.88Å; D164-F167 PolarHBondContact O-N 2.92Å; D164-F167 VanDerWaalsContact O-N 3.12Å; F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 2.82Å; F167-Y170 WeakPolarHBondContact O-CB 3.36Å; F167-Y170 PolarHBondContact O-N 3.26Å; F167-Y170 VanDerWaalsContact O-N 3.12Å; F167-V171 HydrophobicContact CD1-CG2 4.46Å; F167-V171 HydrophobicContact CE1-CG2 4.17Å; F167-V171 HydrophobicContact CZ-CG2 4.25Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.32Å
168V95.5Very high93.7Very high38 Ų3838.5 Ų38.523%0.2321%0.206CC..Hα-helixtrans-60.5-44.3174.71750000110.9D164 Y170 V171 I172 I202 W205D164-V168 WeakPolarHBondContact O-CG2 3.4Å; D164-V168 PolarHBondContact O-N 2.9Å; V168-Y170 VanDerWaalsContact C-N 3.29Å; V168-Y170 PolarHBondContact O-N 3.13Å; V168-V171 PolarHBondContact O-N 3.08Å; V168-I172 HydrophobicContact CG1-CD1 4Å; V168-I172 WeakPolarHBondContact O-CG1 3.29Å; V168-I172 PolarHBondContact O-N 2.88Å; V168-I202 HydrophobicContact CG1-CD1 3.85Å; V168-I202 HydrophobicContact CG1-CG1 4.05Å; V168-W205 HydrophobicContact CG1-CZ3 4.18Å
169K96.4Very high93.7Very high106 Ų10638.7 Ų38.746%0.46120%0.204SC..Hα-helixtrans-61-38.8174.8-171.3-178.4177.5-170.80111.7M165 F167 I172 N173 W205M165-K169 VanDerWaalsContact O-CB 3.29Å; M165-K169 WeakPolarHBondContact O-CB 3.29Å; M165-K169 PolarHBondContact O-N 3.31Å; F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 2.82Å; K169-I172 PolarHBondContact O-N 3.12Å; K169-N173 WeakPolarHBondContact O-CB 3.48Å; K169-N173 PolarHBondContact O-N 3.43Å; K169-W205 HydrophobicContact CB-CE3 4.17Å; K169-W205 HydrophobicContact CB-CH2 3.89Å; K169-W205 HydrophobicContact CB-CZ3 3.69Å; K169-W205 HydrophobicContact CG-CE3 4.31Å; K169-W205 HydrophobicContact CG-CZ3 4.3Å
170Y98.1Very high93.6Very high11 Ų1138.6 Ų38.64%0.04320%0.2CC..Hα-helixtrans-63.9-46.7175173.6-98.4000112.7W75 K130 V133 D166 F167 V168 I172 N173 C174 Y178W75-Y170 VanDerWaalsContact CZ2-OH 3.32Å; W75-Y170 WeakPolarHBondContact CZ2-OH 3.4Å; W75-Y170 AromaticContact NE1-CE2 3.56Å; K130-Y170 HydrophobicContact CB-CD1 4.03Å; K130-Y170 HydrophobicContact CB-CD2 4.46Å; K130-Y170 HydrophobicContact CB-CE1 3.59Å; K130-Y170 HydrophobicContact CB-CE2 4.09Å; K130-Y170 HydrophobicContact CB-CG 4.42Å; K130-Y170 HydrophobicContact CD-CD1 4.23Å; K130-Y170 HydrophobicContact CD-CD2 3.72Å; K130-Y170 HydrophobicContact CD-CE1 4.47Å; K130-Y170 HydrophobicContact CD-CE2 4.01Å; K130-Y170 HydrophobicContact CD-CG 3.82Å; K130-Y170 HydrophobicContact CG-CD1 3.55Å; K130-Y170 HydrophobicContact CG-CD2 3.97Å; K130-Y170 HydrophobicContact CG-CE1 3.69Å; K130-Y170 HydrophobicContact CG-CE2 4.11Å; K130-Y170 HydrophobicContact CG-CG 3.68Å; K130-Y170 PolarHBondContact O-OH 3.26Å; V133-Y170 HydrophobicContact CB-CE1 4.34Å; V133-Y170 HydrophobicContact CG1-CE1 4.49Å; D166-Y170 WeakPolarHBondContact O-CB 3.36Å; D166-Y170 PolarHBondContact O-N 3.26Å; D166-Y170 VanDerWaalsContact O-N 3.08Å; F167-Y170 WeakPolarHBondContact O-CB 3.36Å; F167-Y170 PolarHBondContact O-N 3.26Å; F167-Y170 VanDerWaalsContact O-N 3.12Å; V168-Y170 VanDerWaalsContact C-N 3.29Å; V168-Y170 PolarHBondContact O-N 3.13Å; Y170-I172 VanDerWaalsContact C-N 3.29Å; Y170-I172 PolarHBondContact O-N 3.37Å; Y170-N173 PolarHBondContact O-N 3.44Å; Y170-N173 VanDerWaalsContact O-N 3.09Å; Y170-C174 VanDerWaalsContact CE1-SG 3.53Å; Y170-C174 PolarHBondContact O-N 2.92Å; Y170-C174 PolarHBondContact O-SG 3.09Å; Y170-Y178 HydrophobicContact CD2-CE2 4.5Å; Y170-Y178 HydrophobicContact CE2-CE2 4.14Å
171V97.8Very high93.6Very high2 Ų237.6 Ų37.61%0.01219%0.191CC..Hα-helixtrans-62.6-37.7177.21790000111.1F114 F153 F167 V168 C174 F175 M186F114-V171 HydrophobicContact CE1-CG2 4.1Å; F114-V171 HydrophobicContact CZ-CG1 4.26Å; F114-V171 HydrophobicContact CZ-CG2 4.27Å; F153-V171 HydrophobicContact CZ-CG1 4.04Å; F167-V171 HydrophobicContact CD1-CG2 4.46Å; F167-V171 HydrophobicContact CE1-CG2 4.17Å; F167-V171 HydrophobicContact CZ-CG2 4.25Å; F167-V171 WeakPolarHBondContact O-CG2 3.47Å; F167-V171 PolarHBondContact O-N 3.32Å; V168-V171 PolarHBondContact O-N 3.08Å; V171-C174 WeakPolarHBondContact O-CB 3.37Å; V171-C174 PolarHBondContact O-N 3.19Å; V171-F175 HydrophobicContact CG1-CE2 4.01Å; V171-F175 VanDerWaalsContact O-CD2 3.22Å; V171-F175 WeakPolarHBondContact O-CD2 3.49Å; V171-M186 HydrophobicContact CG1-CE 4.37Å
172I95.6Very high93.7Very high17 Ų1733.6 Ų33.69%0.08716%0.162CC..Hα-helixtrans-61.5-45.6171.4-72.5164.5000111.4V168 K169 Y170 C174 F175 K176 I202 W205 L206V168-I172 HydrophobicContact CG1-CD1 4Å; V168-I172 WeakPolarHBondContact O-CG1 3.29Å; V168-I172 PolarHBondContact O-N 2.88Å; K169-I172 PolarHBondContact O-N 3.12Å; Y170-I172 VanDerWaalsContact C-N 3.29Å; Y170-I172 PolarHBondContact O-N 3.37Å; I172-C174 VanDerWaalsContact C-N 3.29Å; I172-C174 PolarHBondContact O-N 3.12Å; I172-F175 PolarHBondContact O-N 2.93Å; I172-K176 VanDerWaalsContact O-CB 3.29Å; I172-K176 WeakPolarHBondContact O-CB 3.29Å; I172-K176 PolarHBondContact O-N 3.46Å; I172-I202 HydrophobicContact CD1-CG2 3.9Å; I172-W205 HydrophobicContact CD1-CE3 3.82Å; I172-W205 HydrophobicContact CD1-CZ3 4.23Å; I172-L206 HydrophobicContact CD1-CD2 4.28Å; I172-L206 HydrophobicContact CG1-CD2 4.44Å; I172-L206 HydrophobicContact CG2-CD2 3.58Å
173N96.6Very high93.8Very high32 Ų3233.5 Ų33.517%0.17116%0.161CC..Hα-helixtrans-63.9-32.1178.4-88.221.7000112.9K169 Y170 F175 K176 V177 Y178K169-N173 WeakPolarHBondContact O-CB 3.48Å; K169-N173 PolarHBondContact O-N 3.43Å; Y170-N173 PolarHBondContact O-N 3.44Å; Y170-N173 VanDerWaalsContact O-N 3.09Å; N173-F175 VanDerWaalsContact C-N 3.31Å; N173-F175 PolarHBondContact O-N 3.39Å; N173-K176 PolarHBondContact O-N 3Å; N173-V177 PolarHBondContact O-N 2.93Å; N173-Y178 HydrophobicContact CB-CE2 3.91Å; N173-Y178 PolarHBondContact O-N 3.31Å
174C97.4Very high94.2Very high0 Ų032.7 Ų32.70%016%0.159CC..Iπ-helixtrans-51.9-50.1173.1-650000111.1L137 Y170 V171 I172 Y178 Y179L137-C174 HydrophobicContact CD1-CB 3.85Å; Y170-C174 VanDerWaalsContact CE1-SG 3.53Å; Y170-C174 PolarHBondContact O-N 2.92Å; Y170-C174 PolarHBondContact O-SG 3.09Å; V171-C174 WeakPolarHBondContact O-CB 3.37Å; V171-C174 PolarHBondContact O-N 3.19Å; I172-C174 VanDerWaalsContact C-N 3.29Å; I172-C174 PolarHBondContact O-N 3.12Å; C174-Y178 CarbonylContact O-C 3.57Å; C174-Y178 PolarHBondContact O-N 3.48Å; C174-Y179 HydrophobicContact CB-CD2 4.22Å; C174-Y179 PolarHBondContact O-N 3.49Å
175F95.2Very high94.3Very high6 Ų632.7 Ų32.73%0.02616%0.158CC..Iπ-helixtrans-87.5-14.7-178.3-56.7-73.4000114.6W57 F112 L137 L149 V151 V171 I172 N173 F182 L183 M186W57-F175 VanDerWaalsContact CZ2-O 3.23Å; W57-F175 WeakPolarHBondContact CZ2-O 3.39Å; F112-F175 HydrophobicContact CD1-CZ 4.49Å; L137-F175 HydrophobicContact CD1-CZ 4.44Å; L137-F175 HydrophobicContact CD2-CE1 3.9Å; L137-F175 HydrophobicContact CD2-CZ 3.82Å; L149-F175 HydrophobicContact CD1-CE1 3.81Å; L149-F175 HydrophobicContact CD1-CZ 3.8Å; L149-F175 HydrophobicContact CD2-CE1 4.23Å; L149-F175 HydrophobicContact CD2-CZ 4.44Å; L149-F175 HydrophobicContact CG-CE1 4.15Å; V151-F175 HydrophobicContact CG2-CE2 3.69Å; V151-F175 HydrophobicContact CG2-CZ 3.64Å; V171-F175 HydrophobicContact CG1-CE2 4.01Å; V171-F175 VanDerWaalsContact O-CD2 3.22Å; V171-F175 WeakPolarHBondContact O-CD2 3.49Å; I172-F175 PolarHBondContact O-N 2.93Å; N173-F175 VanDerWaalsContact C-N 3.31Å; N173-F175 PolarHBondContact O-N 3.39Å; F175-F182 HydrophobicContact CD1-CB 4.37Å; F175-F182 HydrophobicContact CE1-CD1 4.37Å; F175-L183 HydrophobicContact CB-CB 3.82Å; F175-L183 HydrophobicContact CB-CD2 3.99Å; F175-L183 HydrophobicContact CB-CG 4.43Å; F175-L183 HydrophobicContact CD1-CB 3.68Å; F175-L183 HydrophobicContact CD1-CD1 4.29Å; F175-L183 HydrophobicContact CD1-CG 4.49Å; F175-L183 HydrophobicContact CD2-CD1 4.34Å; F175-L183 HydrophobicContact CE1-CB 4.45Å; F175-L183 HydrophobicContact CE1-CD1 4.45Å; F175-L183 HydrophobicContact CG-CB 3.82Å; F175-L183 HydrophobicContact CG-CD1 4.22Å; F175-L183 HydrophobicContact CG-CD2 4.23Å; F175-L183 HydrophobicContact CG-CG 4.32Å; F175-M186 HydrophobicContact CD2-CE 3.38Å; F175-M186 HydrophobicContact CE2-CE 3.78Å; F175-M186 HydrophobicContact CG-CE 4.34Å
176K91.8Very high94.6Very high97 Ų9731.2 Ų31.242%0.42215%0.151SC..Iπ-helixtrans-88.7-31.7179.7-175.7179.4178.3-179.30113.2W57 R58 I172 N173 W205W57-K176 PolarHBondContact NE1-O 3.22Å; R58-K176 PolarHBondContact NH2-O 3.31Å; I172-K176 VanDerWaalsContact O-CB 3.29Å; I172-K176 WeakPolarHBondContact O-CB 3.29Å; I172-K176 PolarHBondContact O-N 3.46Å; N173-K176 PolarHBondContact O-N 3Å; K176-W205 PolarHBondContact NZ-O 3.41Å
177V93.3Very high94.7Very high5 Ų526.6 Ų26.63%0.0313%0.126CC..Iπ-helixtrans-129.5-49.1-169.6-172.40000112.3M68 E71 N173M68-V177 WeakPolarHBondContact CE-O 3.1Å; M68-V177 HydrophobicContact CG-CG1 4.25Å; E71-V177 HydrophobicContact CB-CG1 3.95Å; E71-V177 HydrophobicContact CG-CG1 3.9Å; N173-V177 PolarHBondContact O-N 2.93Å
178Y95.1Very high94.8Very high25 Ų2526.2 Ų26.210%0.09813%0.125CC..Iπ-helixtrans-88-33.2-166.3-48.2-36000113.8E71 W75 Y170 N173 C174E71-Y178 HydrophobicContact CG-CE1 4.44Å; W75-Y178 HydrophobicContact CB-CD1 4.01Å; W75-Y178 HydrophobicContact CB-CE1 3.59Å; W75-Y178 HydrophobicContact CB-CE2 4.48Å; W75-Y178 AromaticContact CD1-CE2 3.78Å; W75-Y178 AromaticContact CD1-CZ 3.88Å; W75-Y178 AromaticContact CD2-CD1 3.84Å; W75-Y178 HydrophobicContact CD2-CD1 3.84Å; W75-Y178 AromaticContact CD2-CD2 3.55Å; W75-Y178 HydrophobicContact CD2-CD2 3.55Å; W75-Y178 HydrophobicContact CD2-CE1 4.1Å; W75-Y178 AromaticContact CD2-CE2 3.85Å; W75-Y178 HydrophobicContact CD2-CE2 3.85Å; W75-Y178 AromaticContact CD2-CG 3.59Å; W75-Y178 HydrophobicContact CD2-CG 3.59Å; W75-Y178 AromaticContact CE2-CD2 3.74Å; W75-Y178 AromaticContact CE3-CD1 3.73Å; W75-Y178 HydrophobicContact CE3-CD1 3.73Å; W75-Y178 AromaticContact CE3-CD2 3.85Å; W75-Y178 HydrophobicContact CE3-CD2 3.85Å; W75-Y178 HydrophobicContact CE3-CE1 4.42Å; W75-Y178 AromaticContact CE3-CG 3.44Å; W75-Y178 HydrophobicContact CE3-CG 3.44Å; W75-Y178 VanDerWaalsContact CE3-CG 3.44Å; W75-Y178 AromaticContact CG-CD1 3.93Å; W75-Y178 HydrophobicContact CG-CD1 3.93Å; W75-Y178 AromaticContact CG-CD2 3.95Å; W75-Y178 HydrophobicContact CG-CD2 3.95Å; W75-Y178 AromaticContact CG-CE1 3.69Å; W75-Y178 HydrophobicContact CG-CE1 3.69Å; W75-Y178 AromaticContact CG-CE2 3.73Å; W75-Y178 HydrophobicContact CG-CE2 3.73Å; W75-Y178 HydrophobicContact CG-CG 4.09Å; W75-Y178 AromaticContact CG-CZ 3.62Å; W75-Y178 HydrophobicContact CH2-CD2 4.44Å; W75-Y178 HydrophobicContact CZ2-CD2 4.2Å; W75-Y178 HydrophobicContact CZ3-CD2 4.28Å; W75-Y178 AromaticContact CZ3-CG 3.93Å; W75-Y178 HydrophobicContact CZ3-CG 3.93Å; W75-Y178 AromaticContact NE1-CE2 3.98Å; Y170-Y178 HydrophobicContact CD2-CE2 4.5Å; Y170-Y178 HydrophobicContact CE2-CE2 4.14Å; N173-Y178 HydrophobicContact CB-CE2 3.91Å; N173-Y178 PolarHBondContact O-N 3.31Å; C174-Y178 CarbonylContact O-C 3.57Å; C174-Y178 PolarHBondContact O-N 3.48Å
179Y92.5Very high94.9Very high17 Ų1724.4 Ų24.47%0.06711%0.114CC..SBendtrans-131.372.4-179.4-56.9-84.8000109.7W75 L137 E138 C174 F182W75-Y179 AromaticContact CH2-CE2 3.75Å; W75-Y179 HydrophobicContact CH2-CE2 3.75Å; W75-Y179 AromaticContact CH2-CZ 3.91Å; W75-Y179 WeakPolarHBondContact CH2-OH 3.38Å; W75-Y179 HydrophobicContact CZ3-CE2 4.17Å; L137-Y179 HydrophobicContact CB-CD2 4.36Å; L137-Y179 HydrophobicContact CB-CE1 4.12Å; L137-Y179 HydrophobicContact CB-CE2 3.88Å; L137-Y179 HydrophobicContact CD1-CD2 3.72Å; L137-Y179 HydrophobicContact CD1-CE2 3.57Å; L137-Y179 HydrophobicContact CG-CE2 4.37Å; E138-Y179 PolarHBondContact OE1-OH 2.77Å; C174-Y179 HydrophobicContact CB-CD2 4.22Å; C174-Y179 PolarHBondContact O-N 3.49Å; Y179-F182 HydrophobicContact CG-CD1 4.45Å; Y179-F182 WeakPolarHBondContact O-CB 3.38Å
180P85.1Confident94.8Very high20 Ų2023 Ų2313%0.1311%0.109CC..THydrogen-bonded Turntrans-57.1154.8174.222.3-32.2000112.6Y54 W57 M68 F182Y54-P180 HydrophobicContact CD1-CG 4.33Å; Y54-P180 HydrophobicContact CE1-CG 4.41Å; W57-P180 HydrophobicContact CB-CB 3.67Å; W57-P180 HydrophobicContact CD2-CB 3.59Å; W57-P180 HydrophobicContact CE3-CB 4.13Å; W57-P180 HydrophobicContact CG-CB 3.38Å; M68-P180 HydrophobicContact CE-CB 3.73Å; M68-P180 HydrophobicContact CE-CG 3.69Å; P180-F182 PolarHBondContact O-N 3.26Å
181K85.3Confident94.6Very high84 Ų8424.8 Ų24.837%0.36512%0.119SC..THydrogen-bonded Turntrans60.4-16.2-176.8-55179.6-175.4175.50115.6T56 W57 L183T56-K181 VanDerWaalsContact CB-NZ 3.34Å; T56-K181 PolarHBondContact OG1-NZ 2.98Å; W57-K181 HydrophobicContact CE3-CG 3.95Å; W57-K181 VanDerWaalsContact CE3-N 3.3Å; W57-K181 HydrophobicContact CZ3-CG 4.42Å; W57-K181 VanDerWaalsContact CZ3-N 3.26Å; K181-L183 PolarHBondContact O-N 2.96Å; K181-L183 VanDerWaalsContact O-N 3.1Å
182F92.4Very high94.2Very high14 Ų1426 Ų266%0.06113%0.127CC..  trans-72.2-5.2-169.6-145.5-131.5000115.7L137 Y140 A141 M147 P148 L149 F175 Y179 P180L137-F182 HydrophobicContact CD2-CD1 4.21Å; L137-F182 HydrophobicContact CD2-CE1 4.13Å; Y140-F182 AromaticContact CD1-CE1 3.76Å; Y140-F182 HydrophobicContact CD1-CE1 3.76Å; Y140-F182 HydrophobicContact CD1-CE2 4.08Å; Y140-F182 AromaticContact CD1-CZ 3.3Å; Y140-F182 HydrophobicContact CD1-CZ 3.3Å; Y140-F182 HydrophobicContact CE1-CE1 4.47Å; Y140-F182 HydrophobicContact CE1-CE2 4.21Å; Y140-F182 AromaticContact CE1-CZ 3.87Å; Y140-F182 HydrophobicContact CE1-CZ 3.87Å; Y140-F182 HydrophobicContact CG-CZ 4.2Å; A141-F182 HydrophobicContact CB-CE1 4.19Å; A141-F182 HydrophobicContact CB-CE2 4.1Å; A141-F182 HydrophobicContact CB-CZ 3.56Å; M147-F182 WeakPolarHBondContact O-CD2 3.46Å; M147-F182 WeakPolarHBondContact O-CE2 3.37Å; P148-F182 WeakPolarHBondContact CA-O 3.46Å; L149-F182 HydrophobicContact CD2-CD1 4.25Å; L149-F182 HydrophobicContact CD2-CE1 4.12Å; L149-F182 PolarHBondContact N-O 3.17Å; F175-F182 HydrophobicContact CD1-CB 4.37Å; F175-F182 HydrophobicContact CE1-CD1 4.37Å; Y179-F182 HydrophobicContact CG-CD1 4.45Å; Y179-F182 WeakPolarHBondContact O-CB 3.38Å; P180-F182 PolarHBondContact O-N 3.26Å
183L95.2Very high93.5Very high18 Ų1831.9 Ų31.99%0.09415%0.148CC..EExtended strand (participates in β ladder)trans-108.3116.2178.6-178.369.8000111.5L149 V151 F175 K181 K185 M186 K213L149-L183 HydrophobicContact CD1-CD1 4.43Å; V151-L183 HydrophobicContact CG2-CD1 3.75Å; F175-L183 HydrophobicContact CB-CB 3.82Å; F175-L183 HydrophobicContact CB-CD2 3.99Å; F175-L183 HydrophobicContact CB-CG 4.43Å; F175-L183 HydrophobicContact CD1-CB 3.68Å; F175-L183 HydrophobicContact CD1-CD1 4.29Å; F175-L183 HydrophobicContact CD1-CG 4.49Å; F175-L183 HydrophobicContact CD2-CD1 4.34Å; F175-L183 HydrophobicContact CE1-CB 4.45Å; F175-L183 HydrophobicContact CE1-CD1 4.45Å; F175-L183 HydrophobicContact CG-CB 3.82Å; F175-L183 HydrophobicContact CG-CD1 4.22Å; F175-L183 HydrophobicContact CG-CD2 4.23Å; F175-L183 HydrophobicContact CG-CG 4.32Å; K181-L183 PolarHBondContact O-N 2.96Å; K181-L183 VanDerWaalsContact O-N 3.1Å; L183-K185 WeakPolarHBondContact CD1-O 3.47Å; L183-M186 HydrophobicContact CD1-CE 4.18Å; L183-M186 HydrophobicContact CD1-CG 3.72Å; L183-M186 HydrophobicContact CD2-CE 3.95Å; L183-M186 HydrophobicContact CD2-CG 4Å; L183-M186 HydrophobicContact CG-CG 4.44Å; L183-K213 HydrophobicContact CD2-CD 4.38Å; L183-K213 PolarHBondContact O-NZ 3.33Å
184S95.8Very high92.5Very high23 Ų2333.3 Ų33.316%0.16116%0.155CC..EExtended strand (participates in β ladder)trans-72.3-69.4165.71800000109.6N109 L149 K213N109-S184 PolarHBondContact ND2-OG 3.26Å; N109-S184 WeakPolarHBondContact OD1-CB 3.48Å; N109-S184 PolarHBondContact OD1-OG 2.67Å; L149-S184 WeakPolarHBondContact O-CB 3.45Å; L149-S184 PolarHBondContact O-N 3.15Å; S184-K213 WeakPolarHBondContact O-CD 3.44Å
185K97.1Very high91.7Very high9 Ų933.4 Ų33.44%0.03916%0.156CC..EExtended strand (participates in β ladder)trans-146.6164.1174.570-142.262.6149.20111.9D105 E107 T150 V151 L183 I187 K213 K215D105-K185 WeakPolarHBondContact OD2-CE 3.31Å; D105-K185 IonicContact OD2-NZ 3.18Å; D105-K185 PolarHBondContact OD2-NZ 3.15Å; E107-K185 IonicContact OE1-NZ 3.64Å; E107-K185 PolarHBondContact OE1-NZ 3.09Å; E107-K185 IonicContact OE2-NZ 2.75Å; E107-K185 PolarHBondContact OE2-NZ 3.29Å; T150-K185 WeakPolarHBondContact CA-O 3.48Å; T150-K185 HydrophobicContact CG2-CD 4.23Å; T150-K185 HydrophobicContact CG2-CG 3.76Å; V151-K185 PolarHBondContact N-O 2.92Å; L183-K185 WeakPolarHBondContact CD1-O 3.47Å; K185-I187 HydrophobicContact CD-CD1 4.49Å; K185-I187 HydrophobicContact CD-CG1 4.47Å; K185-I187 HydrophobicContact CG-CD1 4.4Å; K185-I187 HydrophobicContact CG-CG1 3.98Å; K185-K213 WeakPolarHBondContact CA-O 3.37Å; K185-K213 WeakPolarHBondContact CB-O 3.41Å; K185-K215 HydrophobicContact CB-CG 4.47Å
186M98.3Very high91.1Very high10 Ų1037.2 Ų37.25%0.04918%0.176CC..EExtended strand (participates in β ladder)trans-113.3128.4163.2-50.3-178.2160.600109.1V151 F153 V171 F175 L183 K213 L214 K215V151-M186 HydrophobicContact CB-CB 4.22Å; V151-M186 HydrophobicContact CB-CG 4Å; V151-M186 HydrophobicContact CG2-CE 4.38Å; V151-M186 HydrophobicContact CG2-CG 4.26Å; V151-M186 CarbonylContact O-C 3.49Å; V151-M186 WeakPolarHBondContact O-CA 3.43Å; F153-M186 HydrophobicContact CE2-CB 4.4Å; F153-M186 HydrophobicContact CE2-SD 4.02Å; V171-M186 HydrophobicContact CG1-CE 4.37Å; F175-M186 HydrophobicContact CD2-CE 3.38Å; F175-M186 HydrophobicContact CE2-CE 3.78Å; F175-M186 HydrophobicContact CG-CE 4.34Å; L183-M186 HydrophobicContact CD1-CE 4.18Å; L183-M186 HydrophobicContact CD1-CG 3.72Å; L183-M186 HydrophobicContact CD2-CE 3.95Å; L183-M186 HydrophobicContact CD2-CG 4Å; L183-M186 HydrophobicContact CG-CG 4.44Å; M186-K213 PolarHBondContact N-O 3.23Å; M186-L214 HydrophobicContact CB-CD2 3.65Å; M186-L214 HydrophobicContact CG-CD2 3.96Å; M186-L214 WeakPolarHBondContact O-CA 3.49Å; M186-L214 HydrophobicContact SD-CD2 3.76Å; M186-K215 PolarHBondContact O-N 2.86Å
187I98.4Very high90.8Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-107.7125.1178.3-46.8170000108.4T150 V151 V152 F153 K185 V189 K215 A217 I222 Y225 I226T150-I187 HydrophobicContact CG2-CD1 3.57Å; T150-I187 HydrophobicContact CG2-CG1 4Å; V151-I187 PolarHBondContact O-N 3.29Å; V152-I187 CarbonylContact C-O 3.29Å; V152-I187 WeakPolarHBondContact CA-O 3.39Å; V152-I187 HydrophobicContact CG2-CD1 4.48Å; F153-I187 PolarHBondContact N-O 3.49Å; K185-I187 HydrophobicContact CD-CD1 4.49Å; K185-I187 HydrophobicContact CD-CG1 4.47Å; K185-I187 HydrophobicContact CG-CD1 4.4Å; K185-I187 HydrophobicContact CG-CG1 3.98Å; I187-V189 HydrophobicContact CG2-CG2 3.88Å; I187-K215 CarbonylContact C-O 3.57Å; I187-K215 WeakPolarHBondContact CA-O 3.4Å; I187-K215 HydrophobicContact CG1-CB 4.36Å; I187-K215 HydrophobicContact CG2-CB 4.37Å; I187-A217 HydrophobicContact CG2-CB 4.27Å; I187-I222 HydrophobicContact CD1-CD1 4.36Å; I187-I222 HydrophobicContact CG2-CD1 3.63Å; I187-Y225 HydrophobicContact CD1-CD2 4.4Å; I187-Y225 HydrophobicContact CD1-CG 4.01Å; I187-Y225 HydrophobicContact CG2-CD2 4.2Å; I187-I226 HydrophobicContact CD1-CD1 4.09Å; I187-I226 HydrophobicContact CD1-CG1 4.13Å
188I97.6Very high90.4Very high16 Ų1636 Ų368%0.08219%0.185CC..EExtended strand (participates in β ladder)trans-106.9107.5175.6-55.683.6000107.2F153 M155 M191 L214 K215 F216 A217F153-I188 HydrophobicContact CB-CG1 4.45Å; F153-I188 HydrophobicContact CD2-CG1 4.3Å; M155-I188 HydrophobicContact CG-CG2 3.64Å; M155-I188 HydrophobicContact SD-CG2 4.33Å; I188-M191 HydrophobicContact CG2-CB 3.85Å; I188-M191 HydrophobicContact CG2-CE 4.47Å; I188-M191 HydrophobicContact CG2-CG 3.97Å; I188-M191 HydrophobicContact CG2-SD 4.37Å; I188-L214 HydrophobicContact CD1-CB 4.39Å; I188-L214 HydrophobicContact CD1-CD2 4.24Å; I188-K215 WeakPolarHBondContact CD1-O 3.46Å; I188-K215 PolarHBondContact N-O 2.82Å; I188-F216 HydrophobicContact CB-CD1 3.82Å; I188-F216 HydrophobicContact CB-CE1 3.98Å; I188-F216 HydrophobicContact CD1-CD1 4.3Å; I188-F216 HydrophobicContact CD1-CE1 3.94Å; I188-F216 HydrophobicContact CD1-CZ 4.11Å; I188-F216 HydrophobicContact CG1-CD1 4.34Å; I188-F216 HydrophobicContact CG1-CE1 4.02Å; I188-F216 HydrophobicContact CG2-CD1 4.24Å; I188-F216 HydrophobicContact CG2-CE1 4.3Å; I188-A217 PolarHBondContact O-N 3.36Å
189V97.9Very high90.1Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-99.7134.5-173.1-168.10000110.1V152 F153 M155 I187 M191 A217 I222 L235V152-V189 HydrophobicContact CG1-CG2 3.78Å; F153-V189 PolarHBondContact O-N 3.08Å; M155-V189 WeakPolarHBondContact CA-O 3.27Å; M155-V189 WeakPolarHBondContact CB-O 3.41Å; M155-V189 WeakPolarHBondContact CG-O 3.48Å; M155-V189 PolarHBondContact N-O 3.37Å; I187-V189 HydrophobicContact CG2-CG2 3.88Å; V189-M191 VanDerWaalsContact C-N 3.31Å; V189-M191 PolarHBondContact O-N 3.46Å; V189-A217 CarbonylContact C-O 3.57Å; V189-A217 VanDerWaalsContact CA-O 3.29Å; V189-A217 WeakPolarHBondContact CA-O 3.26Å; V189-I222 HydrophobicContact CG1-CB 4.33Å; V189-I222 HydrophobicContact CG1-CG1 4.34Å; V189-I222 HydrophobicContact CG2-CD1 3.56Å; V189-I222 HydrophobicContact CG2-CG1 4.08Å; V189-L235 HydrophobicContact CG1-CD1 4.23Å; V189-L235 HydrophobicContact CG1-CD2 3.78Å
190E95.3Very high89.9Confident76 Ų7643.1 Ų43.136%0.35522%0.216SC..SBendtrans56.138.3178.7-73.4-62.1140.500114P192 A217 T218 K219E190-P192 WeakPolarHBondContact O-CD 3.47Å; E190-P192 VanDerWaalsContact O-N 3.14Å; E190-A217 PolarHBondContact N-O 3.05Å; E190-T218 WeakPolarHBondContact OE1-CA 3.4Å; E190-K219 WeakPolarHBondContact OE1-CB 3.32Å; E190-K219 PolarHBondContact OE1-N 3.23Å
191M93Very high90.3Very high50 Ų5046.1 Ų46.125%0.24623%0.23CC..  trans-58116-178.3-164.5-171.2-147.900111.9I188 V189 W193 M195 W199 F216I188-M191 HydrophobicContact CG2-CB 3.85Å; I188-M191 HydrophobicContact CG2-CE 4.47Å; I188-M191 HydrophobicContact CG2-CG 3.97Å; I188-M191 HydrophobicContact CG2-SD 4.37Å; V189-M191 VanDerWaalsContact C-N 3.31Å; V189-M191 PolarHBondContact O-N 3.46Å; M191-W193 PolarHBondContact O-N 3.17Å; M191-M195 HydrophobicContact CE-CB 3.79Å; M191-M195 HydrophobicContact CG-CB 3.97Å; M191-M195 HydrophobicContact CG-CG 4.27Å; M191-M195 HydrophobicContact SD-CB 4.3Å; M191-W199 HydrophobicContact CE-CB 4.16Å; M191-F216 HydrophobicContact CE-CE1 3.96Å; M191-F216 HydrophobicContact SD-CD1 3.76Å; M191-F216 HydrophobicContact SD-CE1 3.52Å; M191-F216 VanDerWaalsContact SD-CE1 3.52Å
192P89.2Confident90.5Very high28 Ų2843.1 Ų43.118%0.18222%0.218CC..  trans-62.6134.7178.1-22.131.7000111E190 I194 M195E190-P192 WeakPolarHBondContact O-CD 3.47Å; E190-P192 VanDerWaalsContact O-N 3.14Å; P192-I194 HydrophobicContact CB-CG2 3.84Å; P192-I194 PolarHBondContact O-N 2.95Å; P192-M195 HydrophobicContact CB-CG 4.03Å; P192-M195 HydrophobicContact CG-CG 4.15Å; P192-M195 WeakPolarHBondContact O-CB 3.37Å; P192-M195 VanDerWaalsContact O-CG 3.25Å; P192-M195 WeakPolarHBondContact O-CG 3.38Å; P192-M195 PolarHBondContact O-N 3.41Å
193W81Confident90.5Very high140 Ų14046.5 Ų46.553%0.5323%0.232SC..G310 helixtrans-53.1-28.5-17767.9-91.8000113.9M191 M195 N196 R439M191-W193 PolarHBondContact O-N 3.17Å; W193-M195 PolarHBondContact O-N 3.27Å; W193-N196 VanDerWaalsContact O-CB 3.31Å; W193-N196 WeakPolarHBondContact O-CB 3.44Å; W193-N196 PolarHBondContact O-N 3.46Å; W193-N196 PolarHBondContact O-ND2 3.28Å; W193-R439 VanDerWaalsContact CH2-NE 3.26Å
194I75.3Confident90.4Very high61 Ų6150 Ų5031%0.31326%0.259SS..G310 helixtrans-66.8-21.8177.3179.261.7000112.5L160 P192 N196L160-I194 HydrophobicContact CD1-CD1 4.2Å; L160-I194 HydrophobicContact CD1-CG1 3.76Å; L160-I194 HydrophobicContact CD2-CG1 3.91Å; L160-I194 HydrophobicContact CG-CG1 3.79Å; P192-I194 HydrophobicContact CB-CG2 3.84Å; P192-I194 PolarHBondContact O-N 2.95Å; I194-N196 PolarHBondContact O-N 3.2Å
195M81.1Confident90.2Very high3 Ų351.8 Ų51.82%0.01526%0.262CS..G310 helixtrans-73.6-7.9174.9-52.5-67.310100113.3M155 L160 I163 M191 P192 W193 A197 A198 W199M155-M195 HydrophobicContact CE-CG 3.92Å; M155-M195 HydrophobicContact CE-SD 4.01Å; L160-M195 HydrophobicContact CD2-CE 3.86Å; L160-M195 HydrophobicContact CG-CE 4Å; I163-M195 HydrophobicContact CD1-CE 3.66Å; I163-M195 HydrophobicContact CD1-SD 3.45Å; I163-M195 WeakPolarHBondContact CD1-SD 3.41Å; I163-M195 HydrophobicContact CG1-CE 4.02Å; I163-M195 HydrophobicContact CG1-SD 3.44Å; I163-M195 WeakPolarHBondContact CG1-SD 3.37Å; M191-M195 HydrophobicContact CE-CB 3.79Å; M191-M195 HydrophobicContact CG-CB 3.97Å; M191-M195 HydrophobicContact CG-CG 4.27Å; M191-M195 HydrophobicContact SD-CB 4.3Å; P192-M195 HydrophobicContact CB-CG 4.03Å; P192-M195 HydrophobicContact CG-CG 4.15Å; P192-M195 WeakPolarHBondContact O-CB 3.37Å; P192-M195 VanDerWaalsContact O-CG 3.25Å; P192-M195 WeakPolarHBondContact O-CG 3.38Å; P192-M195 PolarHBondContact O-N 3.41Å; W193-M195 PolarHBondContact O-N 3.27Å; M195-A197 PolarHBondContact O-N 3.06Å; M195-A197 VanDerWaalsContact O-N 3.08Å; M195-A198 WeakPolarHBondContact O-CA 3.44Å; M195-A198 WeakPolarHBondContact O-CB 3.33Å; M195-A198 PolarHBondContact O-N 3.22Å; M195-W199 PolarHBondContact O-N 2.69Å
196N81.9Confident89.9Confident85 Ų8552.6 Ų52.646%0.45527%0.266SS..Hα-helixtrans-56.8-26.5178.2-85.8-55.5000113.5W193 I194 K200W193-N196 VanDerWaalsContact O-CB 3.31Å; W193-N196 WeakPolarHBondContact O-CB 3.44Å; W193-N196 PolarHBondContact O-N 3.46Å; W193-N196 PolarHBondContact O-ND2 3.28Å; I194-N196 PolarHBondContact O-N 3.2Å; N196-K200 WeakPolarHBondContact O-CG 3.33Å; N196-K200 PolarHBondContact O-N 3.44Å; N196-K200 VanDerWaalsContact O-N 3.12Å
197A85.4Confident89.5Confident66 Ų6654 Ų5455%0.54528%0.283SS..Hα-helixtrans-67.3-45.2172.200000112.1M195 W199 K200 I201M195-A197 PolarHBondContact O-N 3.06Å; M195-A197 VanDerWaalsContact O-N 3.08Å; A197-W199 VanDerWaalsContact C-N 3.33Å; A197-W199 PolarHBondContact O-N 3.18Å; A197-K200 PolarHBondContact O-N 2.86Å; A197-I201 PolarHBondContact O-N 2.85Å
198A86.4Confident89.2Confident12 Ų1259.4 Ų59.410%0.09932%0.318CS..Hα-helixtrans-62.7-40.1173.800000111.4I163 M165 M195 K200 I201 I202I163-A198 HydrophobicContact CD1-CB 4.1Å; I163-A198 HydrophobicContact CG2-CB 4.4Å; M165-A198 HydrophobicContact CE-CB 4.29Å; M165-A198 HydrophobicContact SD-CB 3.77Å; M195-A198 WeakPolarHBondContact O-CA 3.44Å; M195-A198 WeakPolarHBondContact O-CB 3.33Å; M195-A198 PolarHBondContact O-N 3.22Å; A198-K200 VanDerWaalsContact C-N 3.34Å; A198-K200 PolarHBondContact O-N 2.88Å; A198-I201 WeakPolarHBondContact O-CB 3.41Å; A198-I201 PolarHBondContact O-N 2.95Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.26Å
199W88.2Confident88.8Confident33 Ų3366.8 Ų66.813%0.12535%0.352CS..Hα-helixtrans-59.8-40175.4177.9-146.8000113.1M191 M195 A197 I201 I202 K203 I211 L214 F216M191-W199 HydrophobicContact CE-CB 4.16Å; M195-W199 PolarHBondContact O-N 2.69Å; A197-W199 VanDerWaalsContact C-N 3.33Å; A197-W199 PolarHBondContact O-N 3.18Å; W199-I201 VanDerWaalsContact C-N 3.29Å; W199-I201 PolarHBondContact O-N 3Å; W199-I202 HydrophobicContact CE3-CB 4.06Å; W199-I202 HydrophobicContact CE3-CG2 4.04Å; W199-I202 HydrophobicContact CZ3-CB 4.42Å; W199-I202 HydrophobicContact CZ3-CG2 3.94Å; W199-I202 PolarHBondContact O-N 3.17Å; W199-K203 HydrophobicContact CD2-CD 4.13Å; W199-K203 HydrophobicContact CD2-CG 3.95Å; W199-K203 VanDerWaalsContact CE2-CE 3.44Å; W199-K203 HydrophobicContact CE3-CD 4.48Å; W199-K203 HydrophobicContact CE3-CG 3.81Å; W199-K203 HydrophobicContact CH2-CD 3.87Å; W199-K203 HydrophobicContact CH2-CG 3.42Å; W199-K203 VanDerWaalsContact CH2-CG 3.42Å; W199-K203 HydrophobicContact CZ2-CD 3.5Å; W199-K203 VanDerWaalsContact CZ2-CD 3.5Å; W199-K203 HydrophobicContact CZ2-CG 3.61Å; W199-K203 HydrophobicContact CZ3-CD 4.35Å; W199-K203 HydrophobicContact CZ3-CG 3.53Å; W199-K203 PolarHBondContact O-N 3.44Å; W199-I211 HydrophobicContact CH2-CG2 4.31Å; W199-L214 HydrophobicContact CE3-CD1 4.47Å; W199-L214 HydrophobicContact CH2-CD1 3.47Å; W199-L214 VanDerWaalsContact CH2-CD1 3.47Å; W199-L214 HydrophobicContact CZ3-CD1 3.31Å; W199-F216 HydrophobicContact CD2-CE2 4.43Å; W199-F216 AromaticContact CD2-CZ 3.75Å; W199-F216 HydrophobicContact CD2-CZ 3.75Å; W199-F216 AromaticContact CE2-CE2 3.81Å; W199-F216 AromaticContact CE2-CZ 3.59Å; W199-F216 AromaticContact CE3-CZ 3.92Å; W199-F216 HydrophobicContact CE3-CZ 3.92Å; W199-F216 HydrophobicContact CG-CZ 4.38Å; W199-F216 AromaticContact CH2-CE2 3.98Å; W199-F216 HydrophobicContact CH2-CE2 3.98Å; W199-F216 AromaticContact CH2-CZ 3.95Å; W199-F216 HydrophobicContact CH2-CZ 3.95Å; W199-F216 AromaticContact CZ2-CE2 3.56Å; W199-F216 HydrophobicContact CZ2-CE2 3.56Å; W199-F216 AromaticContact CZ2-CZ 3.71Å; W199-F216 HydrophobicContact CZ2-CZ 3.71Å; W199-F216 HydrophobicContact CZ3-CZ 4.04Å
200K88.8Confident88.4Confident157 Ų15768.6 Ų68.668%0.68337%0.368SS*.Hα-helixtrans-60.4-38173.4-73.8176.5-179.1-176.70112.3N196 A197 A198N196-K200 WeakPolarHBondContact O-CG 3.33Å; N196-K200 PolarHBondContact O-N 3.44Å; N196-K200 VanDerWaalsContact O-N 3.12Å; A197-K200 PolarHBondContact O-N 2.86Å; A198-K200 VanDerWaalsContact C-N 3.34Å; A198-K200 PolarHBondContact O-N 2.88Å
201I91.7Very high88.4Confident83 Ų8367.7 Ų67.743%0.42636%0.364SS..Hα-helixtrans-70.9-48.6177.2-60.2168.2000110.2M165 A197 A198 W199 K203 S204 W205M165-I201 HydrophobicContact CE-CB 3.82Å; M165-I201 HydrophobicContact CE-CD1 4.42Å; M165-I201 HydrophobicContact CE-CG2 3.71Å; A197-I201 PolarHBondContact O-N 2.85Å; A198-I201 WeakPolarHBondContact O-CB 3.41Å; A198-I201 PolarHBondContact O-N 2.95Å; W199-I201 VanDerWaalsContact C-N 3.29Å; W199-I201 PolarHBondContact O-N 3Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 2.62Å; I201-S204 WeakPolarHBondContact O-CB 3.49Å; I201-S204 PolarHBondContact O-N 2.93Å; I201-S204 PolarHBondContact O-OG 2.95Å; I201-W205 HydrophobicContact CG2-CH2 4.38Å; I201-W205 HydrophobicContact CG2-CZ2 3.55Å
202I91.4Very high88.5Confident22 Ų2268.1 Ų68.111%0.11338%0.376CS..Hα-helixtrans-56.4-41.1179-67.5161.2000111.3M165 V168 I172 A198 W199 S204 W205 L206M165-I202 HydrophobicContact CE-CD1 4.41Å; M165-I202 HydrophobicContact CE-CG1 3.84Å; V168-I202 HydrophobicContact CG1-CD1 3.85Å; V168-I202 HydrophobicContact CG1-CG1 4.05Å; I172-I202 HydrophobicContact CD1-CG2 3.9Å; A198-I202 WeakPolarHBondContact O-CG1 3.37Å; A198-I202 PolarHBondContact O-N 3.26Å; W199-I202 HydrophobicContact CE3-CB 4.06Å; W199-I202 HydrophobicContact CE3-CG2 4.04Å; W199-I202 HydrophobicContact CZ3-CB 4.42Å; W199-I202 HydrophobicContact CZ3-CG2 3.94Å; W199-I202 PolarHBondContact O-N 3.17Å; I202-S204 PolarHBondContact O-N 3.36Å; I202-S204 VanDerWaalsContact O-N 3.16Å; I202-W205 HydrophobicContact CB-CE3 4.38Å; I202-W205 HydrophobicContact CG1-CE3 4.17Å; I202-W205 HydrophobicContact CG1-CZ3 3.91Å; I202-W205 WeakPolarHBondContact O-CB 3.34Å; I202-W205 PolarHBondContact O-N 3.11Å; I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.4Å
203K91.8Very high88.8Confident85 Ų8570.3 Ų70.337%0.3738%0.383SS..Hα-helixtrans-58-26.4175.2-83.4-173.2-77.3-161.90114.5W199 I201 W205 I211W199-K203 HydrophobicContact CD2-CD 4.13Å; W199-K203 HydrophobicContact CD2-CG 3.95Å; W199-K203 VanDerWaalsContact CE2-CE 3.44Å; W199-K203 HydrophobicContact CE3-CD 4.48Å; W199-K203 HydrophobicContact CE3-CG 3.81Å; W199-K203 HydrophobicContact CH2-CD 3.87Å; W199-K203 HydrophobicContact CH2-CG 3.42Å; W199-K203 VanDerWaalsContact CH2-CG 3.42Å; W199-K203 HydrophobicContact CZ2-CD 3.5Å; W199-K203 VanDerWaalsContact CZ2-CD 3.5Å; W199-K203 HydrophobicContact CZ2-CG 3.61Å; W199-K203 HydrophobicContact CZ3-CD 4.35Å; W199-K203 HydrophobicContact CZ3-CG 3.53Å; W199-K203 PolarHBondContact O-N 3.44Å; I201-K203 VanDerWaalsContact C-N 3.27Å; I201-K203 PolarHBondContact O-N 2.62Å; K203-W205 PolarHBondContact O-N 3.19Å; K203-I211 HydrophobicContact CG-CD1 4.21Å
204S92.9Very high89.5Confident92 Ų9264.7 Ų64.764%0.64336%0.363SS*.THydrogen-bonded Turntrans-76.2-9.6175.971.80000113.9I201 I202I201-S204 WeakPolarHBondContact O-CB 3.49Å; I201-S204 PolarHBondContact O-N 2.93Å; I201-S204 PolarHBondContact O-OG 2.95Å; I202-S204 PolarHBondContact O-N 3.36Å; I202-S204 VanDerWaalsContact O-N 3.16Å
205W91.1Very high90.6Very high60 Ų6065 Ų6523%0.22736%0.362CS..THydrogen-bonded Turntrans-98.4-12.4179.3-50.8-21.3000113.5M165 V168 K169 I172 K176 I201 I202 K203M165-W205 HydrophobicContact CB-CH2 4.09Å; M165-W205 HydrophobicContact CE-CH2 3.4Å; M165-W205 VanDerWaalsContact CE-CH2 3.4Å; M165-W205 HydrophobicContact CE-CZ2 3.89Å; M165-W205 HydrophobicContact CE-CZ3 4.09Å; M165-W205 WeakPolarHBondContact O-CH2 3.37Å; V168-W205 HydrophobicContact CG1-CZ3 4.18Å; K169-W205 HydrophobicContact CB-CE3 4.17Å; K169-W205 HydrophobicContact CB-CH2 3.89Å; K169-W205 HydrophobicContact CB-CZ3 3.69Å; K169-W205 HydrophobicContact CG-CE3 4.31Å; K169-W205 HydrophobicContact CG-CZ3 4.3Å; I172-W205 HydrophobicContact CD1-CE3 3.82Å; I172-W205 HydrophobicContact CD1-CZ3 4.23Å; K176-W205 PolarHBondContact NZ-O 3.41Å; I201-W205 HydrophobicContact CG2-CH2 4.38Å; I201-W205 HydrophobicContact CG2-CZ2 3.55Å; I202-W205 HydrophobicContact CB-CE3 4.38Å; I202-W205 HydrophobicContact CG1-CE3 4.17Å; I202-W205 HydrophobicContact CG1-CZ3 3.91Å; I202-W205 WeakPolarHBondContact O-CB 3.34Å; I202-W205 PolarHBondContact O-N 3.11Å; K203-W205 PolarHBondContact O-N 3.19Å
206L90.7Very high91.3Very high26 Ų2668.4 Ų68.414%0.13638%0.377CS..  trans-117.6135.1-167.2-61179.5000111.2I172 I202 A210 I211 L214I172-L206 HydrophobicContact CD1-CD2 4.28Å; I172-L206 HydrophobicContact CG1-CD2 4.44Å; I172-L206 HydrophobicContact CG2-CD2 3.58Å; I202-L206 HydrophobicContact CG2-CD1 3.74Å; I202-L206 HydrophobicContact CG2-CG 4.4Å; L206-A210 HydrophobicContact CB-CB 4.18Å; L206-A210 HydrophobicContact CD2-CB 4.05Å; L206-I211 HydrophobicContact CB-CD1 4.37Å; L206-I211 HydrophobicContact CB-CG1 3.77Å; L206-I211 HydrophobicContact CD1-CG1 4.4Å; L206-L214 HydrophobicContact CD1-CD1 3.48Å; L206-L214 VanDerWaalsContact CD1-CD1 3.48Å; L206-L214 HydrophobicContact CD1-CG 4.42Å
207G91Very high92Very high39 Ų3964.7 Ų64.740%0.40236%0.358SS..  trans-76.7169.3167.700000112.1E209 A210 I211G207-E209 VanDerWaalsContact C-N 3.32Å; G207-E209 PolarHBondContact O-N 3.18Å; G207-A210 PolarHBondContact O-N 2.93Å; G207-A210 VanDerWaalsContact O-N 3.12Å; G207-I211 WeakPolarHBondContact O-CG1 3.44Å; G207-I211 PolarHBondContact O-N 3.4Å
208P91.9Very high92.5Very high114 Ų11464.4 Ų64.474%0.7435%0.349SS*.Hα-helixtrans-54.1-42.5-177.4-27.535.9000114.2A210 I211 A212P208-A210 PolarHBondContact O-N 2.8Å; P208-I211 PolarHBondContact O-N 2.85Å; P208-A212 PolarHBondContact O-N 2.99Å
209E88.5Confident93Very high170 Ų17068 Ų6879%0.79436%0.363SS*.Hα-helixtrans-62.1-42.9178.2-62.8175.4177.100112.5G207 I211 A212 K213G207-E209 VanDerWaalsContact C-N 3.32Å; G207-E209 PolarHBondContact O-N 3.18Å; E209-I211 VanDerWaalsContact C-N 3.35Å; E209-A212 WeakPolarHBondContact O-CB 3.33Å; E209-A212 PolarHBondContact O-N 2.91Å; E209-K213 PolarHBondContact O-N 3.1Å
210A90.8Very high93.3Very high39 Ų3970.5 Ų70.532%0.32239%0.391SS..Hα-helixtrans-69.4-34.1177.100000111.7L206 G207 P208 A212 K213L206-A210 HydrophobicContact CB-CB 4.18Å; L206-A210 HydrophobicContact CD2-CB 4.05Å; G207-A210 PolarHBondContact O-N 2.93Å; G207-A210 VanDerWaalsContact O-N 3.12Å; P208-A210 PolarHBondContact O-N 2.8Å; A210-A212 VanDerWaalsContact C-N 3.35Å; A210-K213 PolarHBondContact O-N 2.71Å
211I94Very high93.7Very high56 Ų5667.7 Ų67.729%0.28738%0.38SS..Hα-helixtrans-64.9-39.2171.7-67.7170.7000110.7W199 K203 L206 G207 P208 E209 K213 L214W199-I211 HydrophobicContact CH2-CG2 4.31Å; K203-I211 HydrophobicContact CG-CD1 4.21Å; L206-I211 HydrophobicContact CB-CD1 4.37Å; L206-I211 HydrophobicContact CB-CG1 3.77Å; L206-I211 HydrophobicContact CD1-CG1 4.4Å; G207-I211 WeakPolarHBondContact O-CG1 3.44Å; G207-I211 PolarHBondContact O-N 3.4Å; P208-I211 PolarHBondContact O-N 2.85Å; E209-I211 VanDerWaalsContact C-N 3.35Å; I211-K213 PolarHBondContact O-N 2.94Å; I211-L214 WeakPolarHBondContact O-CB 3.25Å; I211-L214 PolarHBondContact O-N 2.88Å
212A94.7Very high94Very high60 Ų6063.7 Ų63.750%0.49636%0.359SS..Hα-helixtrans-64.2-26.7177.500000113.3P208 E209 A210 L214 K215P208-A212 PolarHBondContact O-N 2.99Å; E209-A212 WeakPolarHBondContact O-CB 3.33Å; E209-A212 PolarHBondContact O-N 2.91Å; A210-A212 VanDerWaalsContact C-N 3.35Å; A212-L214 VanDerWaalsContact C-N 3.31Å; A212-K215 PolarHBondContact O-NZ 3.48Å
213K95.6Very high94.2Very high73 Ų7365.4 Ų65.432%0.31737%0.367SS..THydrogen-bonded Turntrans-76.3-10.7172.1-70.1-166.3169.8-161.50114.4L183 S184 K185 M186 E209 A210 I211L183-K213 HydrophobicContact CD2-CD 4.38Å; L183-K213 PolarHBondContact O-NZ 3.33Å; S184-K213 WeakPolarHBondContact O-CD 3.44Å; K185-K213 WeakPolarHBondContact CA-O 3.37Å; K185-K213 WeakPolarHBondContact CB-O 3.41Å; M186-K213 PolarHBondContact N-O 3.23Å; E209-K213 PolarHBondContact O-N 3.1Å; A210-K213 PolarHBondContact O-N 2.71Å; I211-K213 PolarHBondContact O-N 2.94Å
214L96.6Very high94.5Very high22 Ų2265.8 Ų65.812%0.11538%0.376CS..EExtended strand (participates in β ladder)trans-87.9121.1174.4-60.6-178.7000110.5M186 I188 W199 L206 I211 A212 F216M186-L214 HydrophobicContact CB-CD2 3.65Å; M186-L214 HydrophobicContact CG-CD2 3.96Å; M186-L214 WeakPolarHBondContact O-CA 3.49Å; M186-L214 HydrophobicContact SD-CD2 3.76Å; I188-L214 HydrophobicContact CD1-CB 4.39Å; I188-L214 HydrophobicContact CD1-CD2 4.24Å; W199-L214 HydrophobicContact CE3-CD1 4.47Å; W199-L214 HydrophobicContact CH2-CD1 3.47Å; W199-L214 VanDerWaalsContact CH2-CD1 3.47Å; W199-L214 HydrophobicContact CZ3-CD1 3.31Å; L206-L214 HydrophobicContact CD1-CD1 3.48Å; L206-L214 VanDerWaalsContact CD1-CD1 3.48Å; L206-L214 HydrophobicContact CD1-CG 4.42Å; I211-L214 WeakPolarHBondContact O-CB 3.25Å; I211-L214 PolarHBondContact O-N 2.88Å; A212-L214 VanDerWaalsContact C-N 3.31Å; L214-F216 HydrophobicContact CB-CE2 4.21Å
215K97.2Very high94.7Very high69 Ų6964.1 Ų64.130%0.336%0.356SS..EExtended strand (participates in β ladder)trans-111130.2175.8-52.7-53.1-177-1650108.8K185 M186 I187 I188 A212 Y225K185-K215 HydrophobicContact CB-CG 4.47Å; M186-K215 PolarHBondContact O-N 2.86Å; I187-K215 CarbonylContact C-O 3.57Å; I187-K215 WeakPolarHBondContact CA-O 3.4Å; I187-K215 HydrophobicContact CG1-CB 4.36Å; I187-K215 HydrophobicContact CG2-CB 4.37Å; I188-K215 WeakPolarHBondContact CD1-O 3.46Å; I188-K215 PolarHBondContact N-O 2.82Å; A212-K215 PolarHBondContact O-NZ 3.48Å; K215-Y225 HydrophobicContact CB-CE1 4.12Å; K215-Y225 HydrophobicContact CB-CE2 4Å; K215-Y225 HydrophobicContact CD-CE1 4.1Å; K215-Y225 HydrophobicContact CG-CD1 4.4Å; K215-Y225 HydrophobicContact CG-CE1 3.77Å
216F96Very high95.1Very high74 Ų7461.3 Ų61.333%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-106133.6172.7-63.5-89.2000107.7I188 M191 W199 L214I188-F216 HydrophobicContact CB-CD1 3.82Å; I188-F216 HydrophobicContact CB-CE1 3.98Å; I188-F216 HydrophobicContact CD1-CD1 4.3Å; I188-F216 HydrophobicContact CD1-CE1 3.94Å; I188-F216 HydrophobicContact CD1-CZ 4.11Å; I188-F216 HydrophobicContact CG1-CD1 4.34Å; I188-F216 HydrophobicContact CG1-CE1 4.02Å; I188-F216 HydrophobicContact CG2-CD1 4.24Å; I188-F216 HydrophobicContact CG2-CE1 4.3Å; M191-F216 HydrophobicContact CE-CE1 3.96Å; M191-F216 HydrophobicContact SD-CD1 3.76Å; M191-F216 HydrophobicContact SD-CE1 3.52Å; M191-F216 VanDerWaalsContact SD-CE1 3.52Å; W199-F216 HydrophobicContact CD2-CE2 4.43Å; W199-F216 AromaticContact CD2-CZ 3.75Å; W199-F216 HydrophobicContact CD2-CZ 3.75Å; W199-F216 AromaticContact CE2-CE2 3.81Å; W199-F216 AromaticContact CE2-CZ 3.59Å; W199-F216 AromaticContact CE3-CZ 3.92Å; W199-F216 HydrophobicContact CE3-CZ 3.92Å; W199-F216 HydrophobicContact CG-CZ 4.38Å; W199-F216 AromaticContact CH2-CE2 3.98Å; W199-F216 HydrophobicContact CH2-CE2 3.98Å; W199-F216 AromaticContact CH2-CZ 3.95Å; W199-F216 HydrophobicContact CH2-CZ 3.95Å; W199-F216 AromaticContact CZ2-CE2 3.56Å; W199-F216 HydrophobicContact CZ2-CE2 3.56Å; W199-F216 AromaticContact CZ2-CZ 3.71Å; W199-F216 HydrophobicContact CZ2-CZ 3.71Å; W199-F216 HydrophobicContact CZ3-CZ 4.04Å; L214-F216 HydrophobicContact CB-CE2 4.21Å
217A97.2Very high95.3Very high6 Ų660.1 Ų60.15%0.0534%0.34CS..EExtended strand (participates in β ladder)trans-141.7140.1-176.400000111.3I187 I188 V189 E190 E221 I222 Y225I187-A217 HydrophobicContact CG2-CB 4.27Å; I188-A217 PolarHBondContact O-N 3.36Å; V189-A217 CarbonylContact C-O 3.57Å; V189-A217 VanDerWaalsContact CA-O 3.29Å; V189-A217 WeakPolarHBondContact CA-O 3.26Å; E190-A217 PolarHBondContact N-O 3.05Å; A217-E221 HydrophobicContact CB-CB 4.13Å; A217-I222 HydrophobicContact CB-CB 4.31Å; A217-I222 HydrophobicContact CB-CD1 4.35Å; A217-Y225 HydrophobicContact CB-CD2 4.45Å; A217-Y225 HydrophobicContact CB-CE2 4.23Å
218T96.9Very high95.6Very high60 Ų6059.9 Ų59.937%0.36833%0.334SS..  trans-81.1171.2157.659.90000110.4E190 A220 E221 I222E190-T218 WeakPolarHBondContact OE1-CA 3.4Å; T218-A220 PolarHBondContact O-N 2.96Å; T218-A220 PolarHBondContact OG1-N 3.4Å; T218-E221 WeakPolarHBondContact CB-OE2 3.36Å; T218-E221 WeakPolarHBondContact CG2-OE2 3.46Å; T218-E221 PolarHBondContact N-OE2 3.16Å; T218-E221 PolarHBondContact O-N 3.18Å; T218-E221 VanDerWaalsContact OG1-CD 3.29Å; T218-E221 WeakPolarHBondContact OG1-CG 3.42Å; T218-E221 PolarHBondContact OG1-N 2.93Å; T218-E221 PolarHBondContact OG1-OE2 3.29Å; T218-I222 PolarHBondContact O-N 3.03Å
219K95.8Very high95.8Very high89 Ų8959.7 Ų59.739%0.38732%0.323SS..THydrogen-bonded Turntrans-53.1-29168.9175.3168.4-179158.40113.5E190 I222 P233 H234E190-K219 WeakPolarHBondContact OE1-CB 3.32Å; E190-K219 PolarHBondContact OE1-N 3.23Å; K219-I222 WeakPolarHBondContact O-CG2 3.37Å; K219-P233 PolarHBondContact NZ-O 2.92Å; K219-H234 WeakPolarHBondContact CD-O 3.44Å; K219-H234 WeakPolarHBondContact CE-O 3.42Å; K219-H234 PolarHBondContact NZ-O 3.07Å
220A94.6Very high96.1Very high85 Ų8553.8 Ų53.870%0.70230%0.295SS*.THydrogen-bonded Turntrans-76.1-32.6175.300000112.5T218T218-A220 PolarHBondContact O-N 2.96Å; T218-A220 PolarHBondContact OG1-N 3.4Å
221E97.3Very high96.4Very high97 Ų9751.9 Ų51.945%0.45328%0.28SS..THydrogen-bonded Turntrans-93.3-22.4-172.3-65.6157140.200113.2A217 T218 H223 T224A217-E221 HydrophobicContact CB-CB 4.13Å; T218-E221 WeakPolarHBondContact CB-OE2 3.36Å; T218-E221 WeakPolarHBondContact CG2-OE2 3.46Å; T218-E221 PolarHBondContact N-OE2 3.16Å; T218-E221 PolarHBondContact O-N 3.18Å; T218-E221 VanDerWaalsContact OG1-CD 3.29Å; T218-E221 WeakPolarHBondContact OG1-CG 3.42Å; T218-E221 PolarHBondContact OG1-N 2.93Å; T218-E221 PolarHBondContact OG1-OE2 3.29Å; E221-H223 PolarHBondContact O-N 2.94Å; E221-H223 VanDerWaalsContact O-N 3.12Å; E221-T224 WeakPolarHBondContact O-CB 3.49Å; E221-T224 WeakPolarHBondContact O-CG2 3.46Å; E221-T224 PolarHBondContact O-N 3.2Å; E221-T224 PolarHBondContact O-OG1 3.16Å
222I97.9Very high96.4Very high0 Ų050.5 Ų50.50%028%0.275CS..G310 helixtrans-58.6-29.3-176.2-171.554.6000113.2I187 V189 A217 T218 K219 T224 Y225 I226 L231I187-I222 HydrophobicContact CD1-CD1 4.36Å; I187-I222 HydrophobicContact CG2-CD1 3.63Å; V189-I222 HydrophobicContact CG1-CB 4.33Å; V189-I222 HydrophobicContact CG1-CG1 4.34Å; V189-I222 HydrophobicContact CG2-CD1 3.56Å; V189-I222 HydrophobicContact CG2-CG1 4.08Å; A217-I222 HydrophobicContact CB-CB 4.31Å; A217-I222 HydrophobicContact CB-CD1 4.35Å; T218-I222 PolarHBondContact O-N 3.03Å; K219-I222 WeakPolarHBondContact O-CG2 3.37Å; I222-T224 PolarHBondContact O-N 2.73Å; I222-T224 VanDerWaalsContact O-N 3.12Å; I222-Y225 HydrophobicContact CD1-CD2 4.4Å; I222-Y225 PolarHBondContact O-N 2.88Å; I222-I226 HydrophobicContact CD1-CD1 3.91Å; I222-I226 HydrophobicContact CD1-CG1 4.26Å; I222-I226 HydrophobicContact CG1-CD1 4.33Å; I222-I226 PolarHBondContact O-N 2.64Å; I222-I226 VanDerWaalsContact O-N 3.09Å; I222-L231 HydrophobicContact CG1-CD1 4.26Å; I222-L231 HydrophobicContact CG1-CD2 3.76Å; I222-L231 HydrophobicContact CG2-CD1 3.96Å; I222-L231 HydrophobicContact CG2-CD2 4.43Å
223H96.8Very high96.5Very high58 Ų5850.9 Ų50.927%0.26927%0.272SS..G310 helixtrans-62.1-14.8174.3-66.3-76.1000114.4R106 E221 Y225 I226 G236R106-H223 VanDerWaalsContact CZ-O 3.32Å; R106-H223 PolarHBondContact NE-O 3.36Å; R106-H223 PolarHBondContact NH2-O 3.16Å; E221-H223 PolarHBondContact O-N 2.94Å; E221-H223 VanDerWaalsContact O-N 3.12Å; H223-Y225 VanDerWaalsContact C-N 3.3Å; H223-I226 WeakPolarHBondContact CA-O 3.37Å; H223-G236 PolarHBondContact CE1-O 3.3Å
224T97.2Very high96.5Very high92 Ų9251.2 Ų51.256%0.56427%0.274SS*.G310 helixtrans-73.2-22.6171.662.40000112.8E221 I222E221-T224 WeakPolarHBondContact O-CB 3.49Å; E221-T224 WeakPolarHBondContact O-CG2 3.46Å; E221-T224 PolarHBondContact O-N 3.2Å; E221-T224 PolarHBondContact O-OG1 3.16Å; I222-T224 PolarHBondContact O-N 2.73Å; I222-T224 VanDerWaalsContact O-N 3.12Å
225Y97.7Very high96.5Very high58 Ų5850.2 Ų50.223%0.22727%0.269CS..THydrogen-bonded Turntrans-108.3-33.6-177.6-55.8-66.3000113.1D105 R106 I187 K215 A217 I222 H223D105-Y225 WeakPolarHBondContact CB-O 3.39Å; R106-Y225 WeakPolarHBondContact CG-O 3.41Å; R106-Y225 PolarHBondContact N-O 3.26Å; I187-Y225 HydrophobicContact CD1-CD2 4.4Å; I187-Y225 HydrophobicContact CD1-CG 4.01Å; I187-Y225 HydrophobicContact CG2-CD2 4.2Å; K215-Y225 HydrophobicContact CB-CE1 4.12Å; K215-Y225 HydrophobicContact CB-CE2 4Å; K215-Y225 HydrophobicContact CD-CE1 4.1Å; K215-Y225 HydrophobicContact CG-CD1 4.4Å; K215-Y225 HydrophobicContact CG-CE1 3.77Å; A217-Y225 HydrophobicContact CB-CD2 4.45Å; A217-Y225 HydrophobicContact CB-CE2 4.23Å; I222-Y225 HydrophobicContact CD1-CD2 4.4Å; I222-Y225 PolarHBondContact O-N 2.88Å; H223-Y225 VanDerWaalsContact C-N 3.3Å
226I98Very high96.4Very high0 Ų048.6 Ų48.60%027%0.272CS..BIsolated β-bridgetrans-127.5139.8-173.9-48.9177.1000109.5D105 L111 W113 V152 I187 I222 H223 H230 L231D105-I226 HydrophobicContact CB-CG1 4.43Å; L111-I226 HydrophobicContact CD1-CD1 4.05Å; L111-I226 HydrophobicContact CD1-CG2 3.74Å; L111-I226 HydrophobicContact CD2-CD1 3.76Å; L111-I226 HydrophobicContact CD2-CG1 4.05Å; W113-I226 HydrophobicContact CH2-CD1 4.42Å; W113-I226 HydrophobicContact CZ2-CD1 4.46Å; V152-I226 HydrophobicContact CG2-CD1 3.87Å; I187-I226 HydrophobicContact CD1-CD1 4.09Å; I187-I226 HydrophobicContact CD1-CG1 4.13Å; I222-I226 HydrophobicContact CD1-CD1 3.91Å; I222-I226 HydrophobicContact CD1-CG1 4.26Å; I222-I226 HydrophobicContact CG1-CD1 4.33Å; I222-I226 PolarHBondContact O-N 2.64Å; I222-I226 VanDerWaalsContact O-N 3.09Å; H223-I226 WeakPolarHBondContact CA-O 3.37Å; I226-H230 HydrophobicContact CG2-CB 3.82Å; I226-L231 HydrophobicContact CB-CD1 4.08Å; I226-L231 HydrophobicContact CB-CD2 3.95Å; I226-L231 HydrophobicContact CB-CG 3.81Å; I226-L231 HydrophobicContact CD1-CD2 4.01Å; I226-L231 HydrophobicContact CG2-CD1 4.44Å; I226-L231 HydrophobicContact CG2-CD2 4Å; I226-L231 HydrophobicContact CG2-CG 3.7Å
227G96.1Very high96.4Very high1 Ų145.8 Ų45.81%0.0126%0.264CS..  trans-63.7156.7173.500000112.8E229 H230 L231G227-E229 VanDerWaalsContact C-N 3.26Å; G227-E229 WeakPolarHBondContact CA-OE1 3.38Å; G227-E229 WeakPolarHBondContact CA-OE2 3.16Å; G227-E229 PolarHBondContact O-N 3.26Å; G227-H230 PolarHBondContact O-N 2.92Å; G227-L231 WeakPolarHBondContact O-CB 3.33Å; G227-L231 VanDerWaalsContact O-CG 3.31Å; G227-L231 WeakPolarHBondContact O-CG 3.4Å; G227-L231 PolarHBondContact O-N 2.93Å
228A96.4Very high96.4Very high34 Ų3448.8 Ų48.828%0.28129%0.285SS..G310 helixtrans-66.3-35.7177.800000111.1H230 L231 G237 S238A228-H230 PolarHBondContact O-N 3.19Å; A228-L231 PolarHBondContact O-N 2.95Å; A228-L231 VanDerWaalsContact O-N 3.14Å; A228-G237 CarbonylContact O-C 3.6Å; A228-G237 WeakPolarHBondContact O-CA 3.36Å; A228-S238 PolarHBondContact O-N 2.9Å; A228-S238 PolarHBondContact O-OG 2.94Å
229E95.8Very high96.4Very high110 Ų11047.1 Ų47.151%0.51427%0.273SS..G310 helixtrans-61.6-13.4173.165.7-77.9-179.500115.1G227 S238G227-E229 VanDerWaalsContact C-N 3.26Å; G227-E229 WeakPolarHBondContact CA-OE1 3.38Å; G227-E229 WeakPolarHBondContact CA-OE2 3.16Å; G227-E229 PolarHBondContact O-N 3.26Å; E229-S238 PolarHBondContact N-OG 3.41Å
230H95.6Very high96.3Very high46 Ų4649 Ų4921%0.21329%0.288CS..G310 helixtrans-123.312.8176.3-64.3-33.6000112.7Y104 L111 I226 G227 A228Y104-H230 PolarHBondContact N-CD2 3.18Å; Y104-H230 WeakPolarHBondContact O-CB 3.24Å; Y104-H230 PolarHBondContact O-CD2 2.97Å; L111-H230 HydrophobicContact CD1-CB 4.33Å; I226-H230 HydrophobicContact CG2-CB 3.82Å; G227-H230 PolarHBondContact O-N 2.92Å; A228-H230 PolarHBondContact O-N 3.19Å
231L96.5Very high96.2Very high0 Ų047.9 Ų47.90%027%0.267CS..SBendtrans-113.7134.4177.6-82.7172.6000111.3W113 I222 I226 G227 A228 L235 G237 S238 D239W113-L231 HydrophobicContact CH2-CD2 4.03Å; I222-L231 HydrophobicContact CG1-CD1 4.26Å; I222-L231 HydrophobicContact CG1-CD2 3.76Å; I222-L231 HydrophobicContact CG2-CD1 3.96Å; I222-L231 HydrophobicContact CG2-CD2 4.43Å; I226-L231 HydrophobicContact CB-CD1 4.08Å; I226-L231 HydrophobicContact CB-CD2 3.95Å; I226-L231 HydrophobicContact CB-CG 3.81Å; I226-L231 HydrophobicContact CD1-CD2 4.01Å; I226-L231 HydrophobicContact CG2-CD1 4.44Å; I226-L231 HydrophobicContact CG2-CD2 4Å; I226-L231 HydrophobicContact CG2-CG 3.7Å; G227-L231 WeakPolarHBondContact O-CB 3.33Å; G227-L231 VanDerWaalsContact O-CG 3.31Å; G227-L231 WeakPolarHBondContact O-CG 3.4Å; G227-L231 PolarHBondContact O-N 2.93Å; A228-L231 PolarHBondContact O-N 2.95Å; A228-L231 VanDerWaalsContact O-N 3.14Å; L231-L235 HydrophobicContact CD2-CB 4.36Å; L231-L235 HydrophobicContact CD2-CD1 4.39Å; L231-G237 CarbonylContact O-C 3.58Å; L231-G237 VanDerWaalsContact O-C 3.25Å; L231-G237 WeakPolarHBondContact O-CA 3.42Å; L231-S238 PolarHBondContact O-N 3.35Å; L231-D239 VanDerWaalsContact O-CB 3.24Å; L231-D239 WeakPolarHBondContact O-CB 3.46Å; L231-D239 PolarHBondContact O-N 2.9Å
232P95.6Very high95.9Very high27 Ų2751.4 Ų51.418%0.17528%0.281CS..  trans-71.4151.7177.730.3-35.7000111.7W113 H234 L235 G236 G237W113-P232 HydrophobicContact CH2-CG 4.36Å; P232-H234 VanDerWaalsContact C-N 3.27Å; P232-H234 WeakPolarHBondContact CG-CE1 3.38Å; P232-H234 PolarHBondContact O-N 3.47Å; P232-H234 VanDerWaalsContact O-N 3.13Å; P232-L235 HydrophobicContact CG-CB 4.19Å; P232-L235 HydrophobicContact CG-CD1 3.99Å; P232-L235 HydrophobicContact CG-CG 4.09Å; P232-L235 CarbonylContact O-C 3.58Å; P232-L235 WeakPolarHBondContact O-CA 3.36Å; P232-L235 PolarHBondContact O-N 2.73Å; P232-G236 PolarHBondContact O-N 2.91Å; P232-G237 PolarHBondContact O-N 3.27Å
233P96.4Very high95.7Very high67 Ų6752.9 Ų52.944%0.43529%0.287SS..G310 helixtrans-54.4-32.7-177.5-32.234.4000116K219 L235 G236 G237 D239K219-P233 PolarHBondContact NZ-O 2.92Å; P233-L235 PolarHBondContact O-N 3.29Å; P233-G236 PolarHBondContact O-N 3Å; P233-G237 WeakPolarHBondContact CA-O 3.41Å; P233-D239 WeakPolarHBondContact CD-O 3.38Å
234H95.7Very high95.5Very high81 Ų8154.5 Ų54.538%0.37530%0.301SS..G310 helixtrans-66.7-28176.771.1-77.6000112.2D154 K219 P232D154-H234 IonicContact OD2-CD2 2.79Å; D154-H234 IonicContact OD2-CE1 3.19Å; D154-H234 IonicContact OD2-NE2 2.74Å; D154-H234 PolarHBondContact OD2-NE2 2.93Å; K219-H234 WeakPolarHBondContact CD-O 3.44Å; K219-H234 WeakPolarHBondContact CE-O 3.42Å; K219-H234 PolarHBondContact NZ-O 3.07Å; P232-H234 VanDerWaalsContact C-N 3.27Å; P232-H234 WeakPolarHBondContact CG-CE1 3.38Å; P232-H234 PolarHBondContact O-N 3.47Å; P232-H234 VanDerWaalsContact O-N 3.13Å
235L96.5Very high95.3Very high1 Ų151.8 Ų51.81%0.00528%0.28CS..G310 helixtrans-91.76.8170.2-61.3-177.6000113.7W113 V189 L231 P232 P233W113-L235 HydrophobicContact CH2-CD1 3.97Å; W113-L235 HydrophobicContact CZ3-CD1 3.8Å; V189-L235 HydrophobicContact CG1-CD1 4.23Å; V189-L235 HydrophobicContact CG1-CD2 3.78Å; L231-L235 HydrophobicContact CD2-CB 4.36Å; L231-L235 HydrophobicContact CD2-CD1 4.39Å; P232-L235 HydrophobicContact CG-CB 4.19Å; P232-L235 HydrophobicContact CG-CD1 3.99Å; P232-L235 HydrophobicContact CG-CG 4.09Å; P232-L235 CarbonylContact O-C 3.58Å; P232-L235 WeakPolarHBondContact O-CA 3.36Å; P232-L235 PolarHBondContact O-N 2.73Å; P233-L235 PolarHBondContact O-N 3.29Å
236G94.9Very high95Very high34 Ų3452.8 Ų52.835%0.35129%0.294SS..THydrogen-bonded Turntrans92.54.6171.700000115.8H223 P232 P233H223-G236 PolarHBondContact CE1-O 3.3Å; P232-G236 PolarHBondContact O-N 2.91Å; P233-G236 PolarHBondContact O-N 3Å
237G96.4Very high94.6Very high15 Ų1556.6 Ų56.616%0.15532%0.319CS..  trans-88.7-171.1173.100000114.5A228 L231 P232 P233A228-G237 CarbonylContact O-C 3.6Å; A228-G237 WeakPolarHBondContact O-CA 3.36Å; L231-G237 CarbonylContact O-C 3.58Å; L231-G237 VanDerWaalsContact O-C 3.25Å; L231-G237 WeakPolarHBondContact O-CA 3.42Å; P232-G237 PolarHBondContact O-N 3.27Å; P233-G237 WeakPolarHBondContact CA-O 3.41Å
238S97.1Very high94.2Very high70 Ų7056.9 Ų56.949%0.4932%0.32SS..  trans-113.30.2-17753.10000113.4A228 E229 L231 N240A228-S238 PolarHBondContact O-N 2.9Å; A228-S238 PolarHBondContact O-OG 2.94Å; E229-S238 PolarHBondContact N-OG 3.41Å; L231-S238 PolarHBondContact O-N 3.35Å; S238-N240 PolarHBondContact O-N 3.09Å; S238-N240 VanDerWaalsContact O-N 3.1Å; S238-N240 PolarHBondContact O-ND2 2.92Å; S238-N240 VanDerWaalsContact O-ND2 3.09Å
239D95.6Very high93.6Very high25 Ų2556.5 Ų56.513%0.13431%0.314CS..  trans-73.1101.7-178.7-169.5-13.8000111.3H102 L231 P233 F241H102-D239 IonicContact CD2-OD2 2.84Å; H102-D239 PolarHBondContact CD2-OD2 2.91Å; H102-D239 VanDerWaalsContact CD2-OD2 3.31Å; H102-D239 IonicContact CE1-OD2 2.88Å; H102-D239 IonicContact NE2-OD1 2.76Å; H102-D239 PolarHBondContact NE2-OD1 2.91Å; H102-D239 IonicContact NE2-OD2 3.77Å; H102-D239 PolarHBondContact NE2-OD2 2.84Å; L231-D239 VanDerWaalsContact O-CB 3.24Å; L231-D239 WeakPolarHBondContact O-CB 3.46Å; L231-D239 PolarHBondContact O-N 2.9Å; P233-D239 WeakPolarHBondContact CD-O 3.38Å; D239-F241 PolarHBondContact O-N 2.97Å; D239-F241 WeakPolarHBondContact OD1-CB 3.44Å; D239-F241 PolarHBondContact OD1-N 3.22Å
240N94.2Very high92.4Very high129 Ų12951.3 Ų51.369%0.6929%0.29SS*.  trans-79.59.9-178.7-70.1-69000113.8S238 K242S238-N240 PolarHBondContact O-N 3.09Å; S238-N240 VanDerWaalsContact O-N 3.1Å; S238-N240 PolarHBondContact O-ND2 2.92Å; S238-N240 VanDerWaalsContact O-ND2 3.09Å; N240-K242 PolarHBondContact O-N 3.1Å
241F93.3Very high90.7Very high61 Ų6153.1 Ų53.127%0.26830%0.302SS..  trans-51.7125.8175.2170.7-98.9000112.1F100 H102 D239 Y243 P249F100-F241 AromaticContact CD2-CE1 3.99Å; F100-F241 HydrophobicContact CD2-CE1 3.99Å; F100-F241 HydrophobicContact CD2-CZ 4.46Å; F100-F241 HydrophobicContact CE2-CD1 4.34Å; F100-F241 AromaticContact CE2-CE1 3.66Å; F100-F241 HydrophobicContact CE2-CE1 3.66Å; F100-F241 HydrophobicContact CZ-CE1 4.36Å; H102-F241 HydrophobicContact CB-CD1 4.31Å; H102-F241 HydrophobicContact CB-CE1 4.1Å; H102-F241 HydrophobicContact CB-CZ 4.37Å; H102-F241 AromaticContact CD2-CD1 3.5Å; H102-F241 AromaticContact CD2-CG 3.54Å; H102-F241 AromaticContact CE1-CD2 3.8Å; H102-F241 AromaticContact CE1-CG 3.75Å; H102-F241 AromaticContact CG-CD1 3.75Å; H102-F241 AromaticContact CG-CE1 3.97Å; H102-F241 AromaticContact CG-CG 3.82Å; H102-F241 AromaticContact ND1-CD2 3.88Å; H102-F241 AromaticContact ND1-CG 3.99Å; H102-F241 VanDerWaalsContact NE2-CB 3.29Å; H102-F241 WeakPolarHBondContact NE2-CB 3.28Å; H102-F241 AromaticContact NE2-CD1 3.95Å; H102-F241 AromaticContact NE2-CG 3.49Å; H102-F241 WeakPolarHBondContact NE2-CG 3.11Å; D239-F241 PolarHBondContact O-N 2.97Å; D239-F241 WeakPolarHBondContact OD1-CB 3.44Å; D239-F241 PolarHBondContact OD1-N 3.22Å; F241-Y243 HydrophobicContact CZ-CD2 4.27Å; F241-P249 HydrophobicContact CE2-CB 3.7Å; F241-P249 HydrophobicContact CZ-CB 3.49Å; F241-P249 VanDerWaalsContact CZ-CB 3.49Å; F241-P249 HydrophobicContact CZ-CG 4.35Å
242K91.1Very high88.7Confident170 Ų17060.4 Ų60.474%0.73934%0.341SS*.  trans-115.6114.2172.6-68178-174.1174.20107.9N240 T244N240-K242 PolarHBondContact O-N 3.1Å; K242-T244 PolarHBondContact O-N 3.31Å
243Y93.3Very high86.7Confident32 Ų3260.6 Ų60.613%0.12534%0.339CS..  trans-55.4124.2173-175.1-78.9000109.6F94 F100 F241 P249F94-Y243 WeakPolarHBondContact O-CE1 3.47Å; F94-Y243 VanDerWaalsContact O-CZ 3.29Å; F94-Y243 PolarHBondContact O-OH 3.15Å; F100-Y243 HydrophobicContact CB-CD2 3.69Å; F100-Y243 HydrophobicContact CB-CE2 3.56Å; F100-Y243 AromaticContact CD1-CD2 3.87Å; F100-Y243 HydrophobicContact CD1-CD2 3.87Å; F100-Y243 HydrophobicContact CD1-CE2 4.4Å; F100-Y243 HydrophobicContact CD2-CD2 4.22Å; F100-Y243 AromaticContact CG-CD2 3.67Å; F100-Y243 HydrophobicContact CG-CD2 3.67Å; F100-Y243 HydrophobicContact CG-CE2 4.08Å; F241-Y243 HydrophobicContact CZ-CD2 4.27Å; Y243-P249 HydrophobicContact CD2-CB 4.48Å; Y243-P249 HydrophobicContact CD2-CG 3.91Å; Y243-P249 HydrophobicContact CE2-CG 3.6Å
244T92.4Very high84.4Confident92 Ų9265.8 Ų65.856%0.56436%0.357SS*.  trans-135152.3171.252.10000107.5K242K242-T244 PolarHBondContact O-N 3.31Å
245Y93.6Very high82Confident35 Ų3564.6 Ų64.614%0.13736%0.356CS..SBendtrans-152.4137.8174.1168.7-89.2000110.3E86 R91 F94 E95 P247 L248E86-Y245 HydrophobicContact CG-CE2 4.38Å; E86-Y245 WeakPolarHBondContact CG-OH 3.35Å; E86-Y245 PolarHBondContact OE1-OH 3.47Å; R91-Y245 HydrophobicContact CG-CE1 3.9Å; F94-Y245 HydrophobicContact CB-CD1 3.46Å; F94-Y245 VanDerWaalsContact CB-CD1 3.46Å; F94-Y245 HydrophobicContact CB-CD2 3.72Å; F94-Y245 HydrophobicContact CB-CE1 3.51Å; F94-Y245 HydrophobicContact CB-CE2 3.77Å; F94-Y245 HydrophobicContact CB-CG 3.55Å; F94-Y245 HydrophobicContact CD1-CD2 4.48Å; F94-Y245 HydrophobicContact CD1-CE2 4.18Å; F94-Y245 HydrophobicContact CD2-CE1 4.33Å; F94-Y245 HydrophobicContact CD2-CE2 4.44Å; F94-Y245 AromaticContact CD2-CZ 3.97Å; F94-Y245 HydrophobicContact CG-CD1 4.5Å; F94-Y245 HydrophobicContact CG-CD2 4.27Å; F94-Y245 HydrophobicContact CG-CE1 4.15Å; F94-Y245 AromaticContact CG-CE2 3.9Å; F94-Y245 HydrophobicContact CG-CE2 3.9Å; F94-Y245 AromaticContact CG-CZ 3.81Å; E95-Y245 HydrophobicContact CG-CD1 3.67Å; E95-Y245 HydrophobicContact CG-CE1 4.16Å; Y245-P247 WeakPolarHBondContact CA-O 3.33Å; Y245-P247 WeakPolarHBondContact CD2-O 3.42Å; Y245-L248 HydrophobicContact CD2-CD2 3.86Å; Y245-L248 HydrophobicContact CD2-CG 4.43Å; Y245-L248 HydrophobicContact CE2-CD2 3.83Å; Y245-L248 HydrophobicContact CE2-CG 4.3Å
246P91.3Very high79.3Confident78 Ų7867.4 Ų67.451%0.50637%0.374SS..SBendcis-69.8161.2-9.931.3-36.3000112.1
247P89.2Confident76.5Confident81 Ų8173.7 Ų73.753%0.52640%0.399SS..SBendcis-78.4-172.70.935.6-37.9000112.9Y245Y245-P247 WeakPolarHBondContact CA-O 3.33Å; Y245-P247 WeakPolarHBondContact CD2-O 3.42Å
248L88.2Confident73.6Confident6 Ų677.9 Ų77.93%0.03143%0.425CS..  trans-75.9138.4165.7-67.7170.4000108.9F94 F135 W136 Y245 D250 D251F94-L248 HydrophobicContact CD1-CD2 3.63Å; F94-L248 HydrophobicContact CE1-CD2 3.86Å; F135-L248 HydrophobicContact CE1-CD1 4.24Å; F135-L248 HydrophobicContact CZ-CD1 3.89Å; W136-L248 HydrophobicContact CH2-CD2 4.03Å; W136-L248 HydrophobicContact CZ2-CD2 4.21Å; Y245-L248 HydrophobicContact CD2-CD2 3.86Å; Y245-L248 HydrophobicContact CD2-CG 4.43Å; Y245-L248 HydrophobicContact CE2-CD2 3.83Å; Y245-L248 HydrophobicContact CE2-CG 4.3Å; L248-D250 WeakPolarHBondContact CB-OD1 3.5Å; L248-D250 PolarHBondContact O-N 3.22Å; L248-D251 PolarHBondContact O-N 3.23Å
249P83.1Confident70.6Confident26 Ų2683.2 Ų83.217%0.16944%0.442CS..THydrogen-bonded Turntrans-68.3-4-178.931.8-42.2000114.6F100 W136 F241 Y243F100-P249 HydrophobicContact CB-CG 4.19Å; W136-P249 HydrophobicContact CH2-CG 4.03Å; F241-P249 HydrophobicContact CE2-CB 3.7Å; F241-P249 HydrophobicContact CZ-CB 3.49Å; F241-P249 VanDerWaalsContact CZ-CB 3.49Å; F241-P249 HydrophobicContact CZ-CG 4.35Å; Y243-P249 HydrophobicContact CD2-CB 4.48Å; Y243-P249 HydrophobicContact CD2-CG 3.91Å; Y243-P249 HydrophobicContact CE2-CG 3.6Å
250D70.3Confident67.8Low1 Ų190 Ų901%0.00548%0.478CS..THydrogen-bonded Turntrans-108.419.2-173.290.8-48000111.4L101 W136 R139 K143 L248 F253L101-D250 HydrophobicContact CB-CB 4.29Å; W136-D250 HydrophobicContact CH2-CB 4.45Å; W136-D250 HydrophobicContact CZ3-CB 3.84Å; R139-D250 IonicContact CZ-OD1 2.78Å; R139-D250 VanDerWaalsContact CZ-OD1 3.23Å; R139-D250 IonicContact CZ-OD2 3.67Å; R139-D250 VanDerWaalsContact NE-CG 3.26Å; R139-D250 IonicContact NE-OD1 3.89Å; R139-D250 PolarHBondContact NE-OD1 3.46Å; R139-D250 IonicContact NE-OD2 3.14Å; R139-D250 PolarHBondContact NE-OD2 2.95Å; R139-D250 IonicContact NH2-OD1 3.09Å; R139-D250 PolarHBondContact NH2-OD1 3.31Å; R139-D250 IonicContact NH2-OD2 2.8Å; K143-D250 PolarHBondContact NZ-O 2.87Å; L248-D250 WeakPolarHBondContact CB-OD1 3.5Å; L248-D250 PolarHBondContact O-N 3.22Å; D250-F253 HydrophobicContact CB-CD2 4.2Å; D250-F253 HydrophobicContact CB-CE2 3.41Å; D250-F253 VanDerWaalsContact CB-CE2 3.41Å; D250-F253 HydrophobicContact CB-CZ 4.11Å; D250-F253 WeakPolarHBondContact O-CD2 3.43Å; D250-F253 WeakPolarHBondContact O-CE2 3.38Å
251D60.7Low64.7Low85 Ų8586.8 Ų86.846%0.45548%0.475SS..SBendtrans-73.1-40.5168-70.5-34.7000110.1R139 K143 L248 F253R139-D251 IonicContact CZ-OD1 2.73Å; R139-D251 IonicContact NH2-OD1 3.84Å; R139-D251 PolarHBondContact NH2-OD1 2.84Å; K143-D251 PolarHBondContact NZ-O 2.97Å; L248-D251 PolarHBondContact O-N 3.23Å; D251-F253 PolarHBondContact O-N 2.94Å; D251-F253 VanDerWaalsContact O-N 3.11Å
252D54.9Low61.6Low153 Ų15390 Ų9082%0.81850%0.503SS*.  trans-84.245.3-176.7-61.6-34.6000115.7Q254D252-Q254 PolarHBondContact O-N 2.76Å
253F53.2Low58.7Low31 Ų3191.3 Ų91.314%0.13651%0.514CS..  trans-67.8106.2171.8-76.9-115.8000110.9L101 Y104 K110 Y140 K143 D250 D251L101-F253 HydrophobicContact CD1-CZ 4.18Å; Y104-F253 WeakPolarHBondContact OH-CD1 3.49Å; K110-F253 HydrophobicContact CD-CD1 3.9Å; K110-F253 HydrophobicContact CD-CE1 3.49Å; K110-F253 VanDerWaalsContact CD-CE1 3.49Å; K110-F253 HydrophobicContact CD-CZ 4.36Å; K110-F253 HydrophobicContact CG-CE1 3.89Å; K110-F253 VanDerWaalsContact NZ-CD1 3.32Å; Y140-F253 AromaticContact CD2-CE1 3.79Å; Y140-F253 HydrophobicContact CD2-CE1 3.79Å; Y140-F253 AromaticContact CD2-CZ 3.93Å; Y140-F253 HydrophobicContact CD2-CZ 3.93Å; Y140-F253 AromaticContact CE2-CE1 3.79Å; Y140-F253 HydrophobicContact CE2-CE1 3.79Å; Y140-F253 HydrophobicContact CE2-CZ 4.4Å; K143-F253 HydrophobicContact CD-CD2 3.8Å; K143-F253 HydrophobicContact CD-CE2 3.72Å; K143-F253 HydrophobicContact CD-CG 4.33Å; K143-F253 HydrophobicContact CD-CZ 4.33Å; K143-F253 VanDerWaalsContact NZ-CD2 3.25Å; D250-F253 HydrophobicContact CB-CD2 4.2Å; D250-F253 HydrophobicContact CB-CE2 3.41Å; D250-F253 VanDerWaalsContact CB-CE2 3.41Å; D250-F253 HydrophobicContact CB-CZ 4.11Å; D250-F253 WeakPolarHBondContact O-CD2 3.43Å; D250-F253 WeakPolarHBondContact O-CE2 3.38Å; D251-F253 PolarHBondContact O-N 2.94Å; D251-F253 VanDerWaalsContact O-N 3.11Å
254Q47.4Very low55.7Low175 Ų17594.5 Ų94.582%0.81855%0.546SS*.  trans-98.6103.7151.4-67.2-175.9-8.500107.6Y104 D252 P256Y104-Q254 WeakPolarHBondContact CE2-O 3.26Å; Y104-Q254 PolarHBondContact OH-O 3.46Å; D252-Q254 PolarHBondContact O-N 2.76Å; Q254-P256 WeakPolarHBondContact O-CD 3.46Å
255T44.5Very low52.7Low57 Ų5793.3 Ų93.335%0.3555%0.553SS.*PPolyproline II helixtrans-74.6118.4175.7-64.70000108.2Y104 E144 L257Y104-T255 HydrophobicContact CE1-CG2 4.48Å; Y104-T255 WeakPolarHBondContact OH-CA 3.42Å; Y104-T255 PolarHBondContact OH-OG1 3.03Å; E144-T255 PolarHBondContact OE1-OG1 3.25Å; T255-L257 PolarHBondContact O-N 3.26Å
256P41.2Very low49.8Very low60 Ų60100.2 Ų100.239%0.3959%0.586SS.*PPolyproline II helixtrans-62.1122.6-178-20.732.1000109.4Y104 Q254 C258Y104-P256 HydrophobicContact CD1-CG 4.39Å; Y104-P256 HydrophobicContact CD2-CG 3.82Å; Y104-P256 HydrophobicContact CE2-CG 4.15Å; Y104-P256 HydrophobicContact CG-CG 3.99Å; Q254-P256 WeakPolarHBondContact O-CD 3.46Å; P256-C258 PolarHBondContact O-N 2.62Å
257L35.6Very low46.9Very low165 Ų165103.2 Ų103.286%0.86460%0.598SS**PPolyproline II helixtrans-66.2118.7169.5-68.9171.2000107.8T255 E259T255-L257 PolarHBondContact O-N 3.26Å; L257-E259 PolarHBondContact O-N 3.19Å
258C34.8Very low44.2Very low104 Ų104107.4 Ų107.470%0.70362%0.616SS**  trans-69.491175.1-67.10000110.1P256 N260P256-C258 PolarHBondContact O-N 2.62Å; C258-N260 VanDerWaalsContact C-N 3.26Å; C258-N260 PolarHBondContact O-N 2.73Å
259E34.9Very low41.4Very low181 Ų181111.6 Ų111.685%0.84665%0.651SS**  trans-64.487.8163.2-81-166.5136.900109.7L257L257-E259 PolarHBondContact O-N 3.19Å
260N35.9Very low38.9Very low168 Ų168119.6 Ų119.690%0.89869%0.686SS**  trans-163.455.7158.3-91.7-55.4000109.6C258C258-N260 VanDerWaalsContact C-N 3.26Å; C258-N260 PolarHBondContact O-N 2.73Å
261G29.9Very low36.9Very low61 Ų61124 Ų12463%0.62972%0.717SS**  trans-90.2151.9160.700000110.3
262P27.8Very low35.5Very low130 Ų130129.5 Ų129.584%0.84474%0.737SS**  trans-67.1145-178.327.4-32.5000111.4A264P262-A264 PolarHBondContact O-N 2.6Å
263M31.1Very low34.3Very low197 Ų197131.4 Ų131.497%0.9774%0.741SS**  trans-57.6109.5177.3-70.4-162-69.800111.3
264A30.1Very low33.1Very low98 Ų98133.6 Ų133.681%0.8177%0.773SS**  trans-90.9135.2152.400000107.3P262P262-A264 PolarHBondContact O-N 2.6Å
265G28.7Very low32.2Very low68 Ų68134.6 Ų134.670%0.70178%0.777SS**  trans-88.2166.9-164.800000115.8
266E32.3Very low31.5Very low180 Ų180140.4 Ų140.484%0.84180%0.803SS**  trans69.9127.9150.6-64176.1159.300119.1
267D30.7Very low30.9Very low141 Ų141145.6 Ų145.675%0.75482%0.822SS**  trans59.1122.4151.1-51.8-14.4000118.1
268D32.3Very low30.5Very low168 Ų168143.5 Ų143.590%0.89882%0.821SS**  -143.2157.556.6-97.6-44.7000114.5
269A30.5Very low30.3Very low94 Ų94147.8 Ų147.878%0.77782%0.823SS**  trans-94.1141.6177.200000112.4
270E31.1Very low29.9Very low194 Ų194145.9 Ų145.991%0.90782%0.818SS**  trans-153.9145136.3-122.8177.7-170.900114
271S27.2Very low29.4Very low94 Ų94141.9 Ų141.966%0.65780%0.8SS**  trans-66.1151.6-170.158.30000115.9
272K32Very low29.3Very low200 Ų200145.4 Ų145.487%0.8780%0.804SS**  -165.3147.3103.2-106.4167.4-174.21730115.3
273E28.8Very low29.3Very low193 Ų193147.5 Ų147.590%0.90280%0.802SS**  trans-81162.8-175.3-59.5161.2140.800112.7
274G28.1Very low29.1Very low78 Ų78143 Ų14380%0.80479%0.79SS**  trans-176.277.6175.400000111
275E29.6Very low29Very low195 Ų195143.2 Ų143.291%0.91179%0.785SS**  trans-60.1146.6-179.8-56172.3123.700112.9
276M28.6Very low28.9Very low180 Ų180149.5 Ų149.589%0.88779%0.794SS**  -163.2113.4120.1-165.5163.2-177.900110.9
277E28.8Very low28.7Very low169 Ų169147.9 Ų147.979%0.7979%0.791SS**  trans-76.9147.8164.5-67.2-169.6127.900111.1
278S28.2Very low28.5Very low121 Ų121146.5 Ų146.585%0.84679%0.792SS**  trans-149.8115.4136.767.70000110.2
279R29.7Very low28.2Very low194 Ų194146.7 Ų146.773%0.73279%0.788SS**  trans-101.7146.5-175.6162.5-174.3173.5158.8-0.6109.5T281R279-T281 HydrophobicContact CG-CG2 4.43Å
280D27.3Very low28.1Very low140 Ų140148.5 Ų148.575%0.74978%0.783SS**  trans165.4158.2139.9-88.9-24.6000112
281T25.7Very low27.8Very low85 Ų85145.5 Ų145.552%0.52178%0.778SS.*  -172.4139.5-54.924.90000106.7R279R279-T281 HydrophobicContact CG-CG2 4.43Å
282L27.4Very low27.6Very low135 Ų135145.5 Ų145.571%0.70778%0.784SS**  trans63.5121.2145.8-67161.4000123.6
283E27.3Very low27.3Very low174 Ų174145.5 Ų145.581%0.81378%0.783SS**  51.3144.7124.6-62.7-179.4178.900121.8
284S26Very low27.4Very low101 Ų101141.8 Ų141.871%0.70678%0.776SS**  cis-170.6158.64559.50000115.1
285S29.6Very low27.1Very low103 Ų103147.1 Ų147.172%0.7278%0.777SS**  trans30.4141.2139-54.60000124.7
286F25.2Very low26.8Very low201 Ų201146.6 Ų146.688%0.88277%0.772SS**  -173.4163.5106.3-111.8-84.4000114.7
287N28Very low26.5Very low146 Ų146144.7 Ų144.778%0.78177%0.77SS**  trans-99.3160.4-166.7-65.7-34.2000116
288S27.1Very low26.1Very low111 Ų111142.9 Ų142.978%0.77677%0.766SS**  153.8116.3106.173.70000117.9
289E26.8Very low25.8Very low173 Ų173146.7 Ų146.781%0.80877%0.767SS**  41.1135.6127-74-162.9143.100127.7
290I26.7Very low25.4Very low131 Ų131143.8 Ų143.867%0.67277%0.766SS**  98.4107124.4-77.7174.7000124.5
291V25.3Very low25.3Very low131 Ų131144.5 Ų144.579%0.79477%0.765SS**  89.8139123.7164.90000126
292A22.7Very low25.1Very low95 Ų95148.6 Ų148.679%0.78578%0.778SS**  trans119.5131.9141.900000121
293K26.8Very low24.9Very low199 Ų199147.1 Ų147.187%0.86578%0.779SS**  trans-106.7170160.3-63176.4174.2174.90109
294P30.6Very low24.7Very low116 Ų116147.1 Ų147.175%0.75378%0.783SS**  -156.4151.297.837.5-17.8000120
295K22.9Very low24.5Very low190 Ų190153.3 Ų153.383%0.82679%0.791SS**  trans56.7118.2136.2-67.8177.4178.7174.20125.5
296K22.8Very low24.2Very low183 Ų183154.1 Ų154.180%0.79680%0.797SS**  43.9135.4119.8-74-171.3170.5-170.60123
297V21.7Very low24.1Very low140 Ų140153.5 Ų153.585%0.84880%0.797SS**  -145.1152123.3-163.30000109.9
298N20.6Very low24Very low131 Ų131154.3 Ų154.370%0.70180%0.801SS**  trans-100.7166.9173.7-73.3-1.7000111.3
299F21.1Very low23.9Very low201 Ų201152.4 Ų152.488%0.88280%0.799SS**  trans-162.5169.1130.2-108.4-68.7000113.9
300L22.3Very low23.8Very low133 Ų133152.4 Ų152.470%0.69680%0.799SS**  trans-131.5163.8-174.2-128.760.7000106.2
301E24.6Very low23.8Very low155 Ų155157.6 Ų157.672%0.72481%0.81SS**  cis-157.1-172.311-166.3128-128.400109.8
302E20.7Very low23.8Very low172 Ų172156.8 Ų156.880%0.80480%0.801SS**  trans78.4111.9144.6-107.8173.2175.100123.9
303S23.5Very low23.9Very low103 Ų103158.8 Ų158.872%0.7280%0.804SS**  trans11.9135.3132.8-520000121.7
304L22.8Very low23.9Very low174 Ų174154.2 Ų154.291%0.91179%0.789SS**  -170.2166.7107-101167.7000113.1
305R22.9Very low24Very low231 Ų231154.7 Ų154.787%0.87279%0.79SS**  trans-94.7150.4-176-57168.8169.8-176.5-5.2111.8
306S22.7Very low24.3Very low121 Ų121155.7 Ų155.785%0.84679%0.788SS**  -179.5165.5123.151.90000112.9
307E24.2Very low25Very low187 Ų187151.2 Ų151.287%0.87478%0.776SS**  trans-80.3163.6-156.8-64.4152.811400117.6
308D24.8Very low25.6Very low163 Ų163153.5 Ų153.587%0.87278%0.775SS**  trans76.1142.6143.8-120.6-10000122.1
309G24.8Very low26.8Very low71 Ų71149.4 Ų149.473%0.73276%0.763SS**  trans150.353.8-179.400000115.2R311G309-R311 PolarHBondContact O-N 3.07Å
310E26.3Very low28.3Very low173 Ų173141.8 Ų141.881%0.80873%0.733SS**  trans-50.2135.8172.5-65.1-174.2132.300112.6
311R26Very low29.9Very low240 Ų240144.8 Ų144.891%0.90674%0.735SS**  trans-145.476.3148.9-129.3179.4-68.4-173.81.4111.6G309 T313G309-R311 PolarHBondContact O-N 3.07Å; R311-T313 PolarHBondContact O-N 3Å
312D24Very low31.3Very low114 Ų114145.9 Ų145.961%0.6174%0.738SS**  trans-60117177.5-167.617.5000111.8N314D312-N314 VanDerWaalsContact C-N 3.33Å; D312-N314 VanDerWaalsContact CG-ND2 3.3Å; D312-N314 WeakPolarHBondContact OD1-CB 3.16Å; D312-N314 PolarHBondContact OD1-N 3.25Å; D312-N314 PolarHBondContact OD1-ND2 2.99Å; D312-N314 WeakPolarHBondContact OD2-CB 3.49Å; D312-N314 PolarHBondContact OD2-ND2 2.9Å
313T26Very low33.2Very low137 Ų137139.2 Ų139.284%0.8471%0.709SS**  trans-100.851.2168.945.40000110.9R311 V315R311-T313 PolarHBondContact O-N 3Å; T313-V315 PolarHBondContact O-N 2.81Å
314N27.6Very low35.2Very low103 Ų103142.6 Ų142.655%0.55172%0.718SS**  trans-65.998.8-178.9-126.1-47.9000112.4D312 R316D312-N314 VanDerWaalsContact C-N 3.33Å; D312-N314 VanDerWaalsContact CG-ND2 3.3Å; D312-N314 WeakPolarHBondContact OD1-CB 3.16Å; D312-N314 PolarHBondContact OD1-N 3.25Å; D312-N314 PolarHBondContact OD1-ND2 2.99Å; D312-N314 WeakPolarHBondContact OD2-CB 3.49Å; D312-N314 PolarHBondContact OD2-ND2 2.9Å; N314-R316 VanDerWaalsContact C-N 3.25Å; N314-R316 PolarHBondContact O-N 2.92Å
315V31.8Very low38Very low127 Ų127137.5 Ų137.577%0.7770%0.695SS**  trans-72.285.6163.2-179.40000108.2T313 V317T313-V315 PolarHBondContact O-N 2.81Å; V315-V317 PolarHBondContact O-N 2.78Å
316R29Very low41.2Very low211 Ų211129.9 Ų129.980%0.79667%0.674SS**  trans-59.994.4-179.8-87.5-177.2168.7177.4-2.2112.4N314 K318N314-R316 VanDerWaalsContact C-N 3.25Å; N314-R316 PolarHBondContact O-N 2.92Å; R316-K318 PolarHBondContact O-N 2.66Å; R316-K318 VanDerWaalsContact O-N 3.13Å
317V36.8Very low44.3Very low88 Ų88127.8 Ų127.853%0.53365%0.649SS.*  trans-80.785.8165-174.30000109.2V315 G319 V320V315-V317 PolarHBondContact O-N 2.78Å; V317-G319 PolarHBondContact O-N 2.96Å; V317-V320 HydrophobicContact CG1-CG2 3.96Å
318K34.6Very low47.5Very low188 Ų188126.1 Ų126.182%0.81764%0.639SS**THydrogen-bonded Turntrans-62.2125.3169.5-81-176.6172.3-1790109.9R316R316-K318 PolarHBondContact O-N 2.66Å; R316-K318 VanDerWaalsContact O-N 3.13Å
319G45.8Very low50.4Low45 Ų45119 Ų11946%0.46461%0.605SS.*THydrogen-bonded Turntrans121.7-11.5162.100000117.3V317V317-G319 PolarHBondContact O-N 2.96Å
320V53.3Low53.5Low41 Ų41123.4 Ų123.425%0.24861%0.611CS.*PPolyproline II helixtrans-89.8131.6178.1-172.60000110V317 K350 L352V317-V320 HydrophobicContact CG1-CG2 3.96Å; V320-K350 HydrophobicContact CG2-CB 4.41Å; V320-L352 HydrophobicContact CG1-CB 3.93Å
321R55.5Low56.7Low196 Ų196116.1 Ų116.174%0.7458%0.577SS**PPolyproline II helixtrans-67.3132.2177.1-64-176.2-173.5175.15.9109.6
322K55.1Low60Low179 Ų179104.7 Ų104.778%0.77853%0.534SS*.PPolyproline II helixtrans-63.3136.6169.3-74.6-169.3173.5-170.30109.3
323P59.1Low63.4Low31 Ų31100.1 Ų100.120%0.20151%0.509CS..PPolyproline II helixtrans-71.8146.61802.910.6000111.3S335 P336 I354P323-S335 WeakPolarHBondContact CB-OG 3.49Å; P323-P336 HydrophobicContact CB-CB 3.79Å; P323-P336 HydrophobicContact CB-CG 4.16Å; P323-I354 HydrophobicContact CG-CD1 4.4Å; P323-I354 HydrophobicContact CG-CG1 4.4Å
324L65.4Low66.8Low174 Ų17493.6 Ų93.691%0.91147%0.469SS*.SBendtrans-99.6-9.3-169.6-71.8166.1000114.4
325T81.6Confident69.8Low68 Ų6889.2 Ų89.242%0.41745%0.447SS..  trans-129.7152.6-176.765.20000110.5S335 P336 S337T325-S335 WeakPolarHBondContact O-CA 3.4Å; T325-S335 WeakPolarHBondContact O-CB 3.45Å; T325-S335 PolarHBondContact O-OG 3.27Å; T325-P336 CarbonylContact O-C 3.51Å; T325-P336 VanDerWaalsContact O-CA 3.3Å; T325-P336 WeakPolarHBondContact O-CA 3.41Å; T325-S337 VanDerWaalsContact CB-OG 3.23Å; T325-S337 WeakPolarHBondContact CB-OG 3.26Å; T325-S337 PolarHBondContact O-N 2.94Å; T325-S337 WeakPolarHBondContact OG1-CB 3.23Å; T325-S337 PolarHBondContact OG1-N 3.08Å; T325-S337 PolarHBondContact OG1-OG 2.98Å
326T90.3Very high72.6Confident70 Ų7083.9 Ų83.943%0.42942%0.415SS..  trans-137.3122.8-179.8-56.60000110.4D333 V334 S335T326-D333 HydrophobicContact CG2-CB 3.86Å; T326-V334 CarbonylContact C-O 3.25Å; T326-V334 VanDerWaalsContact CA-O 3.3Å; T326-V334 WeakPolarHBondContact CA-O 3.46Å; T326-S335 PolarHBondContact OG1-OG 3.33Å
327F87.5Confident75.1Confident77 Ų7774.9 Ų74.934%0.33839%0.385SS..BIsolated β-bridgetrans-76.2129.2166.9170-97.8000108.7D333 V334 S337 M436 H438F327-D333 VanDerWaalsContact O-CA 3.32Å; F327-D333 WeakPolarHBondContact O-CA 3.47Å; F327-V334 HydrophobicContact CB-CB 4.34Å; F327-V334 HydrophobicContact CD1-CB 4.5Å; F327-V334 HydrophobicContact CD1-CG2 4.28Å; F327-V334 PolarHBondContact N-O 3.48Å; F327-V334 PolarHBondContact O-N 3.26Å; F327-S337 VanDerWaalsContact N-CB 3.3Å; F327-M436 HydrophobicContact CD1-CE 4.45Å; F327-M436 HydrophobicContact CE1-CE 3.92Å; F327-H438 VanDerWaalsContact CB-CE1 3.42Å; F327-H438 WeakPolarHBondContact CB-CE1 3.2Å; F327-H438 HydrophobicContact CD1-CB 4.47Å; F327-H438 AromaticContact CD1-CE1 3.66Å; F327-H438 AromaticContact CD1-CG 3.85Å; F327-H438 AromaticContact CD1-ND1 3.17Å; F327-H438 WeakPolarHBondContact CD1-ND1 3.44Å; F327-H438 AromaticContact CD2-CE1 3.65Å; F327-H438 AromaticContact CD2-ND1 3.63Å; F327-H438 HydrophobicContact CE1-CB 4.38Å; F327-H438 AromaticContact CE1-ND1 3.46Å; F327-H438 WeakPolarHBondContact CE1-ND1 3.27Å; F327-H438 AromaticContact CE2-ND1 3.9Å; F327-H438 AromaticContact CG-CE1 3.27Å; F327-H438 WeakPolarHBondContact CG-CE1 3.39Å; F327-H438 AromaticContact CG-ND1 3.26Å; F327-H438 VanDerWaalsContact CG-ND1 3.26Å; F327-H438 WeakPolarHBondContact CG-ND1 3.36Å; F327-H438 AromaticContact CZ-ND1 3.82Å
328K92.4Very high77.1Confident152 Ų15275.3 Ų75.366%0.66138%0.381SS*.  trans-90.6108.3175.8-64.7-59.3-170.2168.30109.7D333K328-D333 WeakPolarHBondContact CA-OD1 3.48Å; K328-D333 VanDerWaalsContact CD-CG 3.42Å; K328-D333 WeakPolarHBondContact CD-OD1 3.42Å; K328-D333 WeakPolarHBondContact CD-OD2 3.48Å; K328-D333 WeakPolarHBondContact CE-OD2 3.49Å; K328-D333 IonicContact NZ-OD2 2.76Å; K328-D333 PolarHBondContact NZ-OD2 3.12Å
329G85.8Confident79.6Confident15 Ų1569.6 Ų69.616%0.15536%0.357CS..  trans-100.1166.9-17800000112.9L331 L332 D333G329-L331 VanDerWaalsContact C-N 3.34Å; G329-L332 VanDerWaalsContact CA-O 3.26Å; G329-L332 WeakPolarHBondContact CA-O 3.21Å; G329-L332 PolarHBondContact N-O 2.99Å; G329-D333 PolarHBondContact N-OD1 2.8Å
330L88.8Confident81.7Confident162 Ų16267.5 Ų67.585%0.84834%0.335SS*.SBendtrans-73-28.2175.3-64.8176.3000112.5
331L94.4Very high83.2Confident21 Ų2168.3 Ų68.311%0.1134%0.342CS..SBendtrans-115.1-46.9-179.6-56.3-178000112.7G329 N357 V358 T359 V363 E414 M436G329-L331 VanDerWaalsContact C-N 3.34Å; L331-N357 PolarHBondContact O-OD1 2.82Å; L331-V358 WeakPolarHBondContact O-CG2 3.45Å; L331-V358 PolarHBondContact O-N 3.02Å; L331-T359 HydrophobicContact CB-CG2 4.26Å; L331-T359 HydrophobicContact CD2-CG2 3.74Å; L331-V363 HydrophobicContact CB-CG1 4.27Å; L331-V363 HydrophobicContact CB-CG2 4.37Å; L331-E414 HydrophobicContact CD2-CB 4.24Å; L331-M436 HydrophobicContact CB-CB 4.42Å; L331-M436 HydrophobicContact CB-SD 3.94Å; L331-M436 HydrophobicContact CD1-CB 3.87Å; L331-M436 HydrophobicContact CG-CB 4.13Å; L331-M436 HydrophobicContact CG-SD 4.48Å
332L95.5Very high84.7Confident0 Ų059 Ų590%031%0.308CS..EExtended strand (participates in β ladder)trans-127.7137.8178.7-56177.7000110.6G329 L355 S356 N357 V363 F365 A412 M436G329-L332 VanDerWaalsContact CA-O 3.26Å; G329-L332 WeakPolarHBondContact CA-O 3.21Å; G329-L332 PolarHBondContact N-O 2.99Å; L332-L355 HydrophobicContact CD1-CB 4.2Å; L332-L355 HydrophobicContact CD1-CD1 3.9Å; L332-L355 HydrophobicContact CD1-CG 4.48Å; L332-S356 CarbonylContact C-O 3.52Å; L332-S356 VanDerWaalsContact CA-O 3.28Å; L332-S356 WeakPolarHBondContact CA-O 3.25Å; L332-N357 HydrophobicContact CD2-CB 3.79Å; L332-V363 HydrophobicContact CD1-CG1 4.09Å; L332-V363 HydrophobicContact CD2-CB 3.92Å; L332-V363 HydrophobicContact CD2-CG1 3.66Å; L332-V363 HydrophobicContact CD2-CG2 4.42Å; L332-V363 HydrophobicContact CG-CG1 3.83Å; L332-F365 HydrophobicContact CD1-CB 3.99Å; L332-A412 HydrophobicContact CD1-CB 3.54Å; L332-A412 HydrophobicContact CG-CB 3.91Å; L332-M436 HydrophobicContact CB-CE 4.36Å; L332-M436 VanDerWaalsContact O-CE 3.3Å; L332-M436 WeakPolarHBondContact O-CE 3.38Å
333D95.6Very high85.8Confident17 Ų1751.1 Ų51.19%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-75.3143157.3-76.5-7.7000109.6T326 F327 K328 G329 L355 S356 V358T326-D333 HydrophobicContact CG2-CB 3.86Å; F327-D333 VanDerWaalsContact O-CA 3.32Å; F327-D333 WeakPolarHBondContact O-CA 3.47Å; K328-D333 WeakPolarHBondContact CA-OD1 3.48Å; K328-D333 VanDerWaalsContact CD-CG 3.42Å; K328-D333 WeakPolarHBondContact CD-OD1 3.42Å; K328-D333 WeakPolarHBondContact CD-OD2 3.48Å; K328-D333 WeakPolarHBondContact CE-OD2 3.49Å; K328-D333 IonicContact NZ-OD2 2.76Å; K328-D333 PolarHBondContact NZ-OD2 3.12Å; G329-D333 PolarHBondContact N-OD1 2.8Å; D333-L355 WeakPolarHBondContact O-CA 3.32Å; D333-S356 PolarHBondContact N-O 3.14Å; D333-S356 PolarHBondContact O-N 3.24Å; D333-V358 HydrophobicContact CB-CG1 4.33Å
334V95.9Very high86.2Confident0 Ų053.4 Ų53.40%029%0.294CS..EExtended strand (participates in β ladder)trans-125.1124.2-178.6-173.50000110.4T326 F327 I353 L355 I410 M436 H438 L440T326-V334 CarbonylContact C-O 3.25Å; T326-V334 VanDerWaalsContact CA-O 3.3Å; T326-V334 WeakPolarHBondContact CA-O 3.46Å; F327-V334 HydrophobicContact CB-CB 4.34Å; F327-V334 HydrophobicContact CD1-CB 4.5Å; F327-V334 HydrophobicContact CD1-CG2 4.28Å; F327-V334 PolarHBondContact N-O 3.48Å; F327-V334 PolarHBondContact O-N 3.26Å; V334-I353 HydrophobicContact CG1-CG2 3.96Å; V334-L355 HydrophobicContact CB-CD2 4.24Å; V334-L355 HydrophobicContact CG1-CD2 3.92Å; V334-L355 HydrophobicContact CG2-CD2 3.82Å; V334-I410 HydrophobicContact CG1-CD1 3.49Å; V334-I410 VanDerWaalsContact CG1-CD1 3.49Å; V334-I410 HydrophobicContact CG2-CD1 4.34Å; V334-M436 HydrophobicContact CG2-CE 4.28Å; V334-H438 HydrophobicContact CG2-CB 4.19Å; V334-L440 HydrophobicContact CG1-CD1 4.46Å
335S91.5Very high86.2Confident12 Ų1246.6 Ų46.68%0.08427%0.265CS..EExtended strand (participates in β ladder)trans-125.6124.2175.2-167.30000110.3P323 T325 T326 I353 I354P323-S335 WeakPolarHBondContact CB-OG 3.49Å; T325-S335 WeakPolarHBondContact O-CA 3.4Å; T325-S335 WeakPolarHBondContact O-CB 3.45Å; T325-S335 PolarHBondContact O-OG 3.27Å; T326-S335 PolarHBondContact OG1-OG 3.33Å; S335-I353 CarbonylContact O-C 3.6Å; S335-I353 VanDerWaalsContact O-CA 3.32Å; S335-I353 WeakPolarHBondContact O-CA 3.46Å; S335-I354 PolarHBondContact N-O 3.01Å; S335-I354 PolarHBondContact O-N 3.25Å
336P91.7Very high85.2Confident14 Ų1451.2 Ų51.29%0.09128%0.282CS..SBendcis-68.7160.61.428.1-31.9000113P323 T325 E339 L340 L352 L440P323-P336 HydrophobicContact CB-CB 3.79Å; P323-P336 HydrophobicContact CB-CG 4.16Å; T325-P336 CarbonylContact O-C 3.51Å; T325-P336 VanDerWaalsContact O-CA 3.3Å; T325-P336 WeakPolarHBondContact O-CA 3.41Å; P336-E339 WeakPolarHBondContact CB-O 3.43Å; P336-E339 WeakPolarHBondContact CG-O 3.5Å; P336-L340 HydrophobicContact CG-CD2 3.65Å; P336-L352 WeakPolarHBondContact CD-O 3.48Å; P336-L440 VanDerWaalsContact O-CD2 3.27Å; P336-L440 WeakPolarHBondContact O-CD2 3.37Å
337S79.8Confident83.6Confident23 Ų2352.9 Ų52.916%0.16129%0.288CS..SBendtrans-77.3-18.5-175.868.20000116T325 F327 H438T325-S337 VanDerWaalsContact CB-OG 3.23Å; T325-S337 WeakPolarHBondContact CB-OG 3.26Å; T325-S337 PolarHBondContact O-N 2.94Å; T325-S337 WeakPolarHBondContact OG1-CB 3.23Å; T325-S337 PolarHBondContact OG1-N 3.08Å; T325-S337 PolarHBondContact OG1-OG 2.98Å; F327-S337 VanDerWaalsContact N-CB 3.3Å; S337-H438 PolarHBondContact O-CE1 2.74Å; S337-H438 PolarHBondContact O-NE2 3.44Å
338E78.8Confident82.7Confident97 Ų9752.6 Ų52.645%0.45329%0.288SS..SBendtrans-147.9-38.2-170.6-74.1-162.8-135.600115L440 R441E338-L440 CarbonylContact O-C 3.5Å; E338-L440 VanDerWaalsContact O-CA 3.3Å; E338-L440 WeakPolarHBondContact O-CA 3.3Å; E338-R441 PolarHBondContact O-N 3.48Å; E338-R441 IonicContact OE2-CZ 3.39Å; E338-R441 VanDerWaalsContact OE2-CZ 3.23Å; E338-R441 IonicContact OE2-NH1 3.22Å; E338-R441 PolarHBondContact OE2-NH1 2.67Å; E338-R441 IonicContact OE2-NH2 3.67Å; E338-R441 PolarHBondContact OE2-NH2 2.8Å
339E87.8Confident82Confident67 Ų6749.7 Ų49.731%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-139.2143.7-167.4-49.9-157.9151.700113.8P336 R441 H443P336-E339 WeakPolarHBondContact CB-O 3.43Å; P336-E339 WeakPolarHBondContact CG-O 3.5Å; E339-R441 CarbonylContact C-O 3.59Å; E339-R441 VanDerWaalsContact CA-O 3.32Å; E339-R441 WeakPolarHBondContact CA-O 3.42Å; E339-R441 HydrophobicContact CG-CB 4.22Å; E339-R441 IonicContact OE1-CZ 2.8Å; E339-R441 IonicContact OE1-NE 3.49Å; E339-R441 PolarHBondContact OE1-NE 2.78Å; E339-R441 IonicContact OE1-NH2 2.61Å; E339-R441 PolarHBondContact OE1-NH2 3.35Å; E339-H443 IonicContact OE2-CG 2.67Å; E339-H443 IonicContact OE2-ND1 3.74Å
340L89.3Confident82.1Confident2 Ų253.8 Ų53.81%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-108.3118.3169.7-63.3174.3000109.4P336 F342 C351 I353 V394 F408 L440 R441 H443P336-L340 HydrophobicContact CG-CD2 3.65Å; L340-F342 HydrophobicContact CB-CE2 3.77Å; L340-F342 HydrophobicContact CB-CZ 4.36Å; L340-C351 HydrophobicContact CB-CB 4.27Å; L340-C351 HydrophobicContact CD2-CB 3.88Å; L340-I353 HydrophobicContact CD1-CD1 4.12Å; L340-I353 HydrophobicContact CD1-CG1 4.16Å; L340-I353 HydrophobicContact CD2-CG1 3.82Å; L340-V394 HydrophobicContact CD1-CB 4.49Å; L340-V394 HydrophobicContact CD1-CG2 4.1Å; L340-F408 HydrophobicContact CD1-CD2 3.69Å; L340-F408 HydrophobicContact CD1-CE2 3.97Å; L340-F408 HydrophobicContact CD1-CG 4.03Å; L340-L440 HydrophobicContact CD1-CD1 4.2Å; L340-L440 HydrophobicContact CD2-CD1 4.22Å; L340-L440 HydrophobicContact CG-CB 4.36Å; L340-L440 HydrophobicContact CG-CD1 4.1Å; L340-R441 PolarHBondContact N-O 2.98Å; L340-H443 PolarHBondContact O-N 2.86Å
341S85.7Confident82.1Confident57 Ų5746.5 Ų46.540%0.39925%0.251SS..EExtended strand (participates in β ladder)trans-97.5116.5-176.3-50.80000111.9C351 H443S341-C351 PolarHBondContact O-SG 3.28Å; S341-H443 WeakPolarHBondContact CA-O 3.32Å
342F86.8Confident82Confident2 Ų246.8 Ų46.81%0.00925%0.253CS..EExtended strand (participates in β ladder)trans-106136.3174.9-60.9-96000110.3L340 E348 C351 Y375 V394 L396 A402 F408 C442 H443 V444 L445L340-F342 HydrophobicContact CB-CE2 3.77Å; L340-F342 HydrophobicContact CB-CZ 4.36Å; F342-E348 WeakPolarHBondContact CA-O 3.41Å; F342-C351 HydrophobicContact CE1-CB 4.41Å; F342-C351 WeakPolarHBondContact CE1-SG 3.42Å; F342-C351 HydrophobicContact CZ-CB 4.24Å; F342-C351 WeakPolarHBondContact CZ-SG 3.42Å; F342-Y375 HydrophobicContact CD1-CE1 4.31Å; F342-Y375 HydrophobicContact CD2-CE1 4.24Å; F342-Y375 HydrophobicContact CE1-CD1 4.13Å; F342-Y375 AromaticContact CE1-CE1 3.83Å; F342-Y375 HydrophobicContact CE1-CE1 3.83Å; F342-Y375 AromaticContact CE2-CE1 3.75Å; F342-Y375 HydrophobicContact CE2-CE1 3.75Å; F342-Y375 AromaticContact CZ-CD1 3.93Å; F342-Y375 HydrophobicContact CZ-CD1 3.93Å; F342-Y375 AromaticContact CZ-CE1 3.53Å; F342-Y375 HydrophobicContact CZ-CE1 3.53Å; F342-V394 HydrophobicContact CE1-CG1 4.31Å; F342-V394 HydrophobicContact CZ-CB 4.35Å; F342-V394 HydrophobicContact CZ-CG1 3.75Å; F342-L396 HydrophobicContact CB-CD1 4.18Å; F342-L396 HydrophobicContact CD1-CD1 3.92Å; F342-L396 HydrophobicContact CD1-CG 3.98Å; F342-L396 HydrophobicContact CE1-CG 4.34Å; F342-L396 HydrophobicContact CG-CD1 4.27Å; F342-A402 HydrophobicContact CB-CB 3.72Å; F342-A402 HydrophobicContact CD2-CB 4.07Å; F342-A402 HydrophobicContact CG-CB 3.98Å; F342-F408 HydrophobicContact CE2-CE2 4.48Å; F342-C442 WeakPolarHBondContact CD2-SG 3.49Å; F342-H443 PolarHBondContact N-O 2.83Å; F342-V444 WeakPolarHBondContact O-CA 3.35Å; F342-L445 PolarHBondContact O-N 3.41Å
343G78.4Confident82Confident13 Ų1346.8 Ų46.813%0.13425%0.253CS..  trans-118.7-169.9178.500000113.1E348G343-E348 PolarHBondContact N-O 2.87Å
344S68.3Low82Confident79 Ų7947.7 Ų47.755%0.55226%0.257SS*.SBendtrans-92.3-24.4-172.463.50000113.6E348S344-E348 PolarHBondContact N-OE2 3.39Å; S344-E348 VanDerWaalsContact N-OE2 3.07Å
345G64.8Low82.1Confident30 Ų3047.7 Ų47.731%0.30926%0.257SS..SBendtrans-72.6157.2176.400000113.5N347 E348 K349G345-N347 VanDerWaalsContact C-N 3.31Å; G345-N347 PolarHBondContact O-N 3.29Å; G345-E348 PolarHBondContact N-OE2 3.12Å; G345-E348 WeakPolarHBondContact O-CA 3.32Å; G345-E348 WeakPolarHBondContact O-CB 3.37Å; G345-E348 PolarHBondContact O-N 3.41Å; G345-K349 PolarHBondContact O-N 2.99Å
346E60.5Low82.3Confident165 Ų16548.8 Ų48.877%0.77127%0.265SS*.G310 helixtrans-60.3-36.7-177.3-65.3-159.8134.300114.1E348E346-E348 VanDerWaalsContact C-N 3.28Å; E346-E348 PolarHBondContact O-N 3.48Å
347N57.6Low82.6Confident105 Ų10548.3 Ų48.356%0.56126%0.261SS*.G310 helixtrans-74.1-18.7174-74.6-21.9000113.1G345G345-N347 VanDerWaalsContact C-N 3.31Å; G345-N347 PolarHBondContact O-N 3.29Å
348E66.6Low83.3Confident71 Ų7150.8 Ų50.833%0.33228%0.276SS..G310 helixtrans-90.7-5.2-179.3-50-176.2137.300112.6F342 G343 S344 G345 E346 K350F342-E348 WeakPolarHBondContact CA-O 3.41Å; G343-E348 PolarHBondContact N-O 2.87Å; S344-E348 PolarHBondContact N-OE2 3.39Å; S344-E348 VanDerWaalsContact N-OE2 3.07Å; G345-E348 PolarHBondContact N-OE2 3.12Å; G345-E348 WeakPolarHBondContact O-CA 3.32Å; G345-E348 WeakPolarHBondContact O-CB 3.37Å; G345-E348 PolarHBondContact O-N 3.41Å; E346-E348 VanDerWaalsContact C-N 3.28Å; E346-E348 PolarHBondContact O-N 3.48Å; E348-K350 PolarHBondContact O-N 3.07Å
349K78.5Confident83.9Confident91 Ų9147.2 Ų47.240%0.39626%0.261SS..G310 helixtrans-78.73.4171.4-68.7174.6-173.4174.70113.1G345 S395 L396G345-K349 PolarHBondContact O-N 2.99Å; K349-S395 WeakPolarHBondContact O-CA 3.35Å; K349-L396 HydrophobicContact CB-CB 4.35Å; K349-L396 PolarHBondContact O-N 3.12Å
350K87.8Confident84.1Confident101 Ų10153.2 Ų53.244%0.43929%0.286SS..EExtended strand (participates in β ladder)trans-131.8136.7-178.1-57.1-177.4-174.7166.60111.1V320 E348 V394V320-K350 HydrophobicContact CG2-CB 4.41Å; E348-K350 PolarHBondContact O-N 3.07Å; K350-V394 CarbonylContact C-O 3.52Å; K350-V394 VanDerWaalsContact CA-O 3.27Å; K350-V394 WeakPolarHBondContact CA-O 3.38Å
351C88.8Confident84.2Confident9 Ų956.3 Ų56.36%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-123.9157.9172.7-52.10000110L340 S341 F342 V394L340-C351 HydrophobicContact CB-CB 4.27Å; L340-C351 HydrophobicContact CD2-CB 3.88Å; S341-C351 PolarHBondContact O-SG 3.28Å; F342-C351 HydrophobicContact CE1-CB 4.41Å; F342-C351 WeakPolarHBondContact CE1-SG 3.42Å; F342-C351 HydrophobicContact CZ-CB 4.24Å; F342-C351 WeakPolarHBondContact CZ-SG 3.42Å; C351-V394 PolarHBondContact N-O 3.06Å; C351-V394 PolarHBondContact O-N 2.91Å
352L92.4Very high84.6Confident27 Ų2755.5 Ų55.514%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-109.1133.8173.1-167.467.6000109.3V320 P336 I354 D391 V393V320-L352 HydrophobicContact CG1-CB 3.93Å; P336-L352 WeakPolarHBondContact CD-O 3.48Å; L352-I354 HydrophobicContact CD2-CD1 3.92Å; L352-I354 HydrophobicContact CD2-CG1 3.76Å; L352-I354 HydrophobicContact CG-CG1 3.99Å; L352-D391 HydrophobicContact CD1-CB 3.92Å; L352-V393 HydrophobicContact CD1-CG2 4.2Å
353I95.6Very high85Confident0 Ų055.4 Ų55.40%029%0.291CS..EExtended strand (participates in β ladder)trans-107130.3158.1-54.5161.7000106.1V334 S335 L340 L355 V367 I392 V394 I410 L440V334-I353 HydrophobicContact CG1-CG2 3.96Å; S335-I353 CarbonylContact O-C 3.6Å; S335-I353 VanDerWaalsContact O-CA 3.32Å; S335-I353 WeakPolarHBondContact O-CA 3.46Å; L340-I353 HydrophobicContact CD1-CD1 4.12Å; L340-I353 HydrophobicContact CD1-CG1 4.16Å; L340-I353 HydrophobicContact CD2-CG1 3.82Å; I353-L355 HydrophobicContact CG2-CD2 3.8Å; I353-L355 HydrophobicContact CG2-CG 4.32Å; I353-V367 HydrophobicContact CD1-CG1 4.41Å; I353-I392 HydrophobicContact CB-CB 4.18Å; I353-I392 PolarHBondContact N-O 3.32Å; I353-I392 PolarHBondContact O-N 2.9Å; I353-V394 HydrophobicContact CD1-CG2 3.73Å; I353-V394 HydrophobicContact CG1-CG2 4.21Å; I353-I410 HydrophobicContact CD1-CD1 4.5Å; I353-I410 HydrophobicContact CG2-CD1 4.04Å; I353-L440 HydrophobicContact CD1-CD1 3.85Å; I353-L440 HydrophobicContact CG1-CD1 3.79Å; I353-L440 HydrophobicContact CG2-CD1 4.35Å
354I95.8Very high85.9Confident37 Ų3754.8 Ų54.819%0.1929%0.285CS..EExtended strand (participates in β ladder)trans-107.3123.7170.5-47.9-179.1000106.8P323 S335 L352P323-I354 HydrophobicContact CG-CD1 4.4Å; P323-I354 HydrophobicContact CG-CG1 4.4Å; S335-I354 PolarHBondContact N-O 3.01Å; S335-I354 PolarHBondContact O-N 3.25Å; L352-I354 HydrophobicContact CD2-CD1 3.92Å; L352-I354 HydrophobicContact CD2-CG1 3.76Å; L352-I354 HydrophobicContact CG-CG1 3.99Å
355L97.1Very high87.2Confident0 Ų051 Ų510%026%0.259CS..EExtended strand (participates in β ladder)trans-105.6128.2171-57.5-175.2000108.8L332 D333 V334 I353 F365 S389 V390 I392 I410L332-L355 HydrophobicContact CD1-CB 4.2Å; L332-L355 HydrophobicContact CD1-CD1 3.9Å; L332-L355 HydrophobicContact CD1-CG 4.48Å; D333-L355 WeakPolarHBondContact O-CA 3.32Å; V334-L355 HydrophobicContact CB-CD2 4.24Å; V334-L355 HydrophobicContact CG1-CD2 3.92Å; V334-L355 HydrophobicContact CG2-CD2 3.82Å; I353-L355 HydrophobicContact CG2-CD2 3.8Å; I353-L355 HydrophobicContact CG2-CG 4.32Å; L355-F365 HydrophobicContact CD1-CB 4.01Å; L355-F365 HydrophobicContact CD1-CD1 4.06Å; L355-F365 HydrophobicContact CD1-CD2 3.7Å; L355-F365 HydrophobicContact CD1-CE1 4.46Å; L355-F365 HydrophobicContact CD1-CE2 4.17Å; L355-F365 HydrophobicContact CD1-CG 3.65Å; L355-S389 CarbonylContact O-C 3.45Å; L355-S389 WeakPolarHBondContact O-CA 3.36Å; L355-V390 PolarHBondContact N-O 3.35Å; L355-V390 PolarHBondContact O-N 3.5Å; L355-I392 HydrophobicContact CD1-CD1 3.48Å; L355-I392 VanDerWaalsContact CD1-CD1 3.48Å; L355-I392 HydrophobicContact CG-CD1 3.84Å; L355-I410 HydrophobicContact CD1-CG2 4.12Å; L355-I410 HydrophobicContact CD2-CD1 4.08Å; L355-I410 HydrophobicContact CD2-CG2 4.07Å
356S96.5Very high88.7Confident34 Ų3452.7 Ų52.724%0.23826%0.258CS..EExtended strand (participates in β ladder)trans-119.4124.4176.6-54.20000110.3L332 D333 V358 A388 S389L332-S356 CarbonylContact C-O 3.52Å; L332-S356 VanDerWaalsContact CA-O 3.28Å; L332-S356 WeakPolarHBondContact CA-O 3.25Å; D333-S356 PolarHBondContact N-O 3.14Å; D333-S356 PolarHBondContact O-N 3.24Å; S356-V358 PolarHBondContact O-N 2.97Å; S356-A388 WeakPolarHBondContact CA-O 3.47Å; S356-S389 VanDerWaalsContact CB-OG 3.29Å; S356-S389 WeakPolarHBondContact CB-OG 3.36Å; S356-S389 PolarHBondContact OG-OG 3.26Å
357N97Very high90.5Very high4 Ų445.2 Ų45.22%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-79116.9-179.2-177.9-1.7000110.9L331 L332 T359 N361 V363 C384 E385 G387 A388L331-N357 PolarHBondContact O-OD1 2.82Å; L332-N357 HydrophobicContact CD2-CB 3.79Å; N357-T359 WeakPolarHBondContact OD1-CB 3.42Å; N357-T359 PolarHBondContact OD1-N 3.36Å; N357-T359 PolarHBondContact OD1-OG1 3.32Å; N357-N361 PolarHBondContact ND2-O 3.02Å; N357-V363 WeakPolarHBondContact OD1-CG2 3.49Å; N357-C384 HydrophobicContact CB-CB 4.34Å; N357-C384 PolarHBondContact ND2-O 3.14Å; N357-E385 VanDerWaalsContact CB-O 3.26Å; N357-E385 WeakPolarHBondContact CB-O 3.45Å; N357-E385 VanDerWaalsContact ND2-C 3.34Å; N357-E385 PolarHBondContact ND2-O 3.21Å; N357-G387 VanDerWaalsContact O-CA 3.28Å; N357-G387 WeakPolarHBondContact O-CA 3.41Å; N357-G387 PolarHBondContact O-N 3.23Å; N357-G387 VanDerWaalsContact O-N 3.09Å; N357-A388 PolarHBondContact N-O 3.2Å
358V94.9Very high92.1Very high76 Ų7646.5 Ų46.546%0.46122%0.22SC..  trans-98.41.6-178.5-64.50000113.3L331 D333 S356L331-V358 WeakPolarHBondContact O-CG2 3.45Å; L331-V358 PolarHBondContact O-N 3.02Å; D333-V358 HydrophobicContact CB-CG1 4.33Å; S356-V358 PolarHBondContact O-N 2.97Å
359T92.9Very high93.4Very high22 Ų2244.5 Ų44.514%0.13521%0.213CC..SBendtrans-94175.7178.675.70000112.3L331 N357 N361 V363L331-T359 HydrophobicContact CB-CG2 4.26Å; L331-T359 HydrophobicContact CD2-CG2 3.74Å; N357-T359 WeakPolarHBondContact OD1-CB 3.42Å; N357-T359 PolarHBondContact OD1-N 3.36Å; N357-T359 PolarHBondContact OD1-OG1 3.32Å; T359-N361 PolarHBondContact OG1-N 3.41Å; T359-N361 PolarHBondContact OG1-O 3.39Å; T359-V363 HydrophobicContact CG2-CG2 4.21Å; T359-V363 WeakPolarHBondContact OG1-CG2 3.31Å
360K91.8Very high93.8Very high193 Ų19344.5 Ų44.584%0.83922%0.221SC*.SBendtrans-92.4-6.1174.8-63-175.1-179.9-178.60113.7P386K360-P386 VanDerWaalsContact O-CG 3.31Å; K360-P386 WeakPolarHBondContact O-CG 3.46Å
361N91.5Very high93.9Very high67 Ų6739.7 Ų39.736%0.35820%0.2SC..SBendtrans-115.8165.6-178.2-64.1-55.5000110.8N357 T359 E414N357-N361 PolarHBondContact ND2-O 3.02Å; T359-N361 PolarHBondContact OG1-N 3.41Å; T359-N361 PolarHBondContact OG1-O 3.39Å; N361-E414 HydrophobicContact CB-CG 3.66Å; N361-E414 WeakPolarHBondContact CB-OE1 3.42Å; N361-E414 PolarHBondContact ND2-OE1 2.98Å
362Q93.4Very high93.9Very high39 Ų3943.5 Ų43.518%0.18222%0.224CC..EExtended strand (participates in β ladder)trans-66.2138.1174.1-171.4-172.851.100109.1S383 E385 M415Q362-S383 PolarHBondContact NE2-OG 3.27Å; Q362-E385 PolarHBondContact NE2-OE1 2.83Å; Q362-M415 HydrophobicContact CB-CB 4.35Å; Q362-M415 HydrophobicContact CG-SD 4.19Å; Q362-M415 WeakPolarHBondContact O-CB 3.26Å; Q362-M415 PolarHBondContact O-N 2.91Å; Q362-M415 PolarHBondContact OE1-SD 3.04Å
363V95.3Very high93.7Very high0 Ų047.5 Ų47.50%024%0.242CC..EExtended strand (participates in β ladder)trans-116.9119.6178.6174.40000109.7L331 L332 N357 T359 S383 C384 A412 A413L331-V363 HydrophobicContact CB-CG1 4.27Å; L331-V363 HydrophobicContact CB-CG2 4.37Å; L332-V363 HydrophobicContact CD1-CG1 4.09Å; L332-V363 HydrophobicContact CD2-CB 3.92Å; L332-V363 HydrophobicContact CD2-CG1 3.66Å; L332-V363 HydrophobicContact CD2-CG2 4.42Å; L332-V363 HydrophobicContact CG-CG1 3.83Å; N357-V363 WeakPolarHBondContact OD1-CG2 3.49Å; T359-V363 HydrophobicContact CG2-CG2 4.21Å; T359-V363 WeakPolarHBondContact OG1-CG2 3.31Å; V363-S383 CarbonylContact O-C 3.54Å; V363-S383 WeakPolarHBondContact O-CA 3.06Å; V363-C384 PolarHBondContact N-O 3.16Å; V363-C384 PolarHBondContact O-N 3.14Å; V363-A412 HydrophobicContact CG1-CB 3.93Å; V363-A413 WeakPolarHBondContact CA-O 3.15Å
364A96.1Very high93.4Very high0 Ų049.6 Ų49.60%025%0.251CS..EExtended strand (participates in β ladder)trans-72.7139.1167.900000109.7A412 A413 M415 L423 F426 W427A364-A412 CarbonylContact O-C 3.52Å; A364-A412 VanDerWaalsContact O-CA 3.25Å; A364-A412 WeakPolarHBondContact O-CA 3.42Å; A364-A413 PolarHBondContact N-O 2.78Å; A364-A413 PolarHBondContact O-N 2.97Å; A364-M415 HydrophobicContact CB-CG 3.97Å; A364-M415 HydrophobicContact CB-SD 3.69Å; A364-L423 HydrophobicContact CB-CD2 3.86Å; A364-F426 HydrophobicContact CB-CD1 3.75Å; A364-F426 HydrophobicContact CB-CE1 3.44Å; A364-F426 VanDerWaalsContact CB-CE1 3.44Å; A364-F426 HydrophobicContact CB-CZ 4.15Å; A364-W427 HydrophobicContact CB-CZ2 3.96Å
365F97Very high93.3Very high0 Ų048.1 Ų48.10%024%0.244CC..EExtended strand (participates in β ladder)trans-129.6156.2170.873.7-96.8000113L332 L355 V367 P379 S381 S382 C384 V390 I392 M411L332-F365 HydrophobicContact CD1-CB 3.99Å; L355-F365 HydrophobicContact CD1-CB 4.01Å; L355-F365 HydrophobicContact CD1-CD1 4.06Å; L355-F365 HydrophobicContact CD1-CD2 3.7Å; L355-F365 HydrophobicContact CD1-CE1 4.46Å; L355-F365 HydrophobicContact CD1-CE2 4.17Å; L355-F365 HydrophobicContact CD1-CG 3.65Å; F365-V367 HydrophobicContact CD2-CG2 4.23Å; F365-P379 HydrophobicContact CE2-CG 4.26Å; F365-P379 HydrophobicContact CZ-CG 3.88Å; F365-S381 VanDerWaalsContact O-CA 3.27Å; F365-S381 WeakPolarHBondContact O-CA 3.3Å; F365-S381 PolarHBondContact O-OG 3.22Å; F365-S382 WeakPolarHBondContact CD1-O 3.27Å; F365-S382 PolarHBondContact N-O 2.82Å; F365-S382 PolarHBondContact O-N 3.49Å; F365-C384 HydrophobicContact CD1-CB 4.4Å; F365-V390 HydrophobicContact CE1-CB 4.14Å; F365-V390 HydrophobicContact CE1-CG1 3.99Å; F365-V390 HydrophobicContact CE1-CG2 4.2Å; F365-V390 HydrophobicContact CZ-CB 4.35Å; F365-V390 HydrophobicContact CZ-CG1 3.76Å; F365-I392 HydrophobicContact CD2-CD1 3.95Å; F365-I392 HydrophobicContact CE2-CD1 3.38Å; F365-I392 HydrophobicContact CE2-CG1 4.16Å; F365-I392 HydrophobicContact CZ-CD1 3.9Å; F365-I392 HydrophobicContact CZ-CG1 4.33Å; F365-M411 CarbonylContact C-O 3.56Å; F365-M411 WeakPolarHBondContact CA-O 3.48Å
366K96.2Very high93.2Very high66 Ų6654.4 Ų54.429%0.28727%0.267SS..EExtended strand (participates in β ladder)trans-144.7128.4174-171.8166.1-172.51630110.2R368 S380 M411 W427K366-R368 HydrophobicContact CG-CG 4.42Å; K366-S380 CarbonylContact C-O 3.55Å; K366-S380 WeakPolarHBondContact CA-O 3.47Å; K366-M411 PolarHBondContact N-O 2.92Å; K366-M411 PolarHBondContact O-N 2.85Å; K366-W427 HydrophobicContact CB-CZ2 3.91Å
367V97.1Very high93.1Very high8 Ų853.6 Ų53.65%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-108.8123.6177.1-172.30000109.3I353 F365 V377 S380 I392 L409 I410I353-V367 HydrophobicContact CD1-CG1 4.41Å; F365-V367 HydrophobicContact CD2-CG2 4.23Å; V367-V377 HydrophobicContact CB-CG1 3.93Å; V367-V377 HydrophobicContact CG1-CG1 3.88Å; V367-S380 PolarHBondContact N-O 2.99Å; V367-I392 HydrophobicContact CG2-CD1 3.71Å; V367-L409 CarbonylContact C-O 3.54Å; V367-L409 WeakPolarHBondContact CA-O 3.41Å; V367-I410 HydrophobicContact CG1-CG1 4.32Å; V367-I410 HydrophobicContact CG2-CG1 3.94Å
368R92.6Very high93Very high131 Ų13159.5 Ų59.549%0.49429%0.286SS..EExtended strand (participates in β ladder)trans-116.8156.1175.1-54.6-170.1-167.1-152.16.3110K366 F408 L409K366-R368 HydrophobicContact CG-CG 4.42Å; R368-F408 CarbonylContact O-C 3.6Å; R368-F408 VanDerWaalsContact O-CA 3.28Å; R368-F408 WeakPolarHBondContact O-CA 3.41Å; R368-L409 PolarHBondContact N-O 2.84Å; R368-L409 PolarHBondContact O-N 2.7Å
369T92.3Very high93.1Very high29 Ų2958.2 Ų58.218%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-126153.5172.9177.10000110.1A371 P372 R407 F408T369-A371 PolarHBondContact OG1-N 3.36Å; T369-P372 HydrophobicContact CG2-CB 4.1Å; T369-R407 VanDerWaalsContact CA-O 3.27Å; T369-R407 WeakPolarHBondContact CA-O 3.49Å; T369-R407 PolarHBondContact OG1-O 2.72Å; T369-F408 HydrophobicContact CG2-CE1 4.45Å
370T88Confident93.1Very high92 Ų9260.2 Ų60.256%0.56430%0.295SS*.SBendtrans-76.6-10.4171.155.40000113.5R407T370-R407 HydrophobicContact CG2-CB 3.92Å; T370-R407 PolarHBondContact N-O 3.5Å; T370-R407 PolarHBondContact OG1-N 2.84Å
371A88.8Confident93.3Very high0 Ų053 Ų530%027%0.268CS..  trans-131.963.4-179.400000111.6T369 E373 K374 Y375 D406T369-A371 PolarHBondContact OG1-N 3.36Å; A371-E373 WeakPolarHBondContact CA-OE1 3.14Å; A371-E373 WeakPolarHBondContact CA-OE2 3.31Å; A371-E373 WeakPolarHBondContact CB-OE1 3.48Å; A371-E373 PolarHBondContact O-N 3.39Å; A371-E373 VanDerWaalsContact O-N 3.14Å; A371-K374 HydrophobicContact CB-CB 4.3Å; A371-K374 HydrophobicContact CB-CD 3.69Å; A371-K374 HydrophobicContact CB-CG 4.03Å; A371-K374 PolarHBondContact O-N 3.41Å; A371-Y375 HydrophobicContact CB-CD2 4.04Å; A371-Y375 HydrophobicContact CB-CE2 4.1Å; A371-Y375 WeakPolarHBondContact O-CD2 3.29Å; A371-Y375 PolarHBondContact O-N 2.85Å; A371-D406 WeakPolarHBondContact CB-OD1 3.41Å
372P89.3Confident93.4Very high88 Ų8851.7 Ų51.757%0.57127%0.265SS*.THydrogen-bonded Turntrans-62-18-177.228.3-36.9000114T369T369-P372 HydrophobicContact CG2-CB 4.1Å
373E88.1Confident93.5Very high111 Ų11151.3 Ų51.352%0.51927%0.266SS..THydrogen-bonded Turntrans-75.7-20.1173.774.2-65.2157.600114A371 H397A371-E373 WeakPolarHBondContact CA-OE1 3.14Å; A371-E373 WeakPolarHBondContact CA-OE2 3.31Å; A371-E373 WeakPolarHBondContact CB-OE1 3.48Å; A371-E373 PolarHBondContact O-N 3.39Å; A371-E373 VanDerWaalsContact O-N 3.14Å; E373-H397 PolarHBondContact O-CE1 3.41Å
374K90.3Very high93.4Very high44 Ų4451.5 Ų51.519%0.19127%0.267CS..THydrogen-bonded Turntrans-99.8-35.6178.9-54.1176-158.8162.90112.9A371 L396 H397 D406A371-K374 HydrophobicContact CB-CB 4.3Å; A371-K374 HydrophobicContact CB-CD 3.69Å; A371-K374 HydrophobicContact CB-CG 4.03Å; A371-K374 PolarHBondContact O-N 3.41Å; K374-L396 HydrophobicContact CB-CD2 4.36Å; K374-L396 WeakPolarHBondContact O-CA 3.44Å; K374-H397 PolarHBondContact O-CD2 2.69Å; K374-H397 PolarHBondContact O-N 2.97Å; K374-D406 IonicContact NZ-OD1 2.72Å; K374-D406 PolarHBondContact NZ-OD1 2.81Å; K374-D406 IonicContact NZ-OD2 3.44Å; K374-D406 PolarHBondContact NZ-OD2 3.28Å
375Y93.9Very high93.3Very high7 Ų756.1 Ų56.13%0.02729%0.289CS..EExtended strand (participates in β ladder)trans-118.4128.2-167.3-59.6-83.7000113.8F342 A371 V394 S395 L396 A402 D406 F408 C442F342-Y375 HydrophobicContact CD1-CE1 4.31Å; F342-Y375 HydrophobicContact CD2-CE1 4.24Å; F342-Y375 HydrophobicContact CE1-CD1 4.13Å; F342-Y375 AromaticContact CE1-CE1 3.83Å; F342-Y375 HydrophobicContact CE1-CE1 3.83Å; F342-Y375 AromaticContact CE2-CE1 3.75Å; F342-Y375 HydrophobicContact CE2-CE1 3.75Å; F342-Y375 AromaticContact CZ-CD1 3.93Å; F342-Y375 HydrophobicContact CZ-CD1 3.93Å; F342-Y375 AromaticContact CZ-CE1 3.53Å; F342-Y375 HydrophobicContact CZ-CE1 3.53Å; A371-Y375 HydrophobicContact CB-CD2 4.04Å; A371-Y375 HydrophobicContact CB-CE2 4.1Å; A371-Y375 WeakPolarHBondContact O-CD2 3.29Å; A371-Y375 PolarHBondContact O-N 2.85Å; Y375-V394 HydrophobicContact CD1-CG1 4.08Å; Y375-S395 WeakPolarHBondContact CA-O 3.48Å; Y375-L396 HydrophobicContact CD1-CD2 3.74Å; Y375-L396 HydrophobicContact CD1-CG 4.14Å; Y375-L396 HydrophobicContact CE1-CD2 3.4Å; Y375-L396 HydrophobicContact CE1-CG 3.87Å; Y375-L396 HydrophobicContact CG-CD2 4.48Å; Y375-A402 HydrophobicContact CE1-CB 4.46Å; Y375-A402 VanDerWaalsContact OH-CA 3.26Å; Y375-A402 WeakPolarHBondContact OH-CA 3.35Å; Y375-A402 VanDerWaalsContact OH-CB 3.23Å; Y375-A402 WeakPolarHBondContact OH-CB 3.27Å; Y375-D406 HydrophobicContact CE2-CB 3.73Å; Y375-D406 WeakPolarHBondContact CE2-OD2 3.35Å; Y375-D406 PolarHBondContact OH-OD2 2.96Å; Y375-F408 HydrophobicContact CD1-CE1 4.43Å; Y375-F408 AromaticContact CD1-CZ 3.69Å; Y375-F408 HydrophobicContact CD1-CZ 3.69Å; Y375-F408 HydrophobicContact CD2-CE1 4.39Å; Y375-F408 AromaticContact CD2-CZ 3.78Å; Y375-F408 HydrophobicContact CD2-CZ 3.78Å; Y375-F408 HydrophobicContact CE1-CE2 4.47Å; Y375-F408 AromaticContact CE1-CZ 3.9Å; Y375-F408 HydrophobicContact CE1-CZ 3.9Å; Y375-F408 HydrophobicContact CE2-CZ 4.03Å; Y375-F408 HydrophobicContact CG-CE1 4.07Å; Y375-F408 AromaticContact CG-CZ 3.59Å; Y375-F408 HydrophobicContact CG-CZ 3.59Å; Y375-C442 PolarHBondContact OH-SG 3.14Å
376R93.8Very high93.3Very high131 Ų13158.9 Ų58.949%0.49431%0.307SS..EExtended strand (participates in β ladder)trans-101116.8170.2179.5-179.8-60-105.16109.4K378 S395 H397R376-K378 HydrophobicContact CG-CG 4.32Å; R376-S395 PolarHBondContact N-O 2.76Å; R376-S395 PolarHBondContact O-N 2.99Å; R376-S395 PolarHBondContact O-OG 3.15Å; R376-H397 PolarHBondContact N-CD2 2.72Å
377V95.8Very high93.1Very high18 Ų1858.9 Ų58.911%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-103.4128.8177.7-174.40000109.4V367 I392 V393 V394 F408V367-V377 HydrophobicContact CB-CG1 3.93Å; V367-V377 HydrophobicContact CG1-CG1 3.88Å; V377-I392 HydrophobicContact CG1-CG2 3.5Å; V377-I392 VanDerWaalsContact CG1-CG2 3.5Å; V377-V393 WeakPolarHBondContact CA-O 3.28Å; V377-V394 HydrophobicContact CG1-CG2 4.35Å; V377-V394 HydrophobicContact CG2-CG1 4.31Å; V377-V394 HydrophobicContact CG2-CG2 4.32Å; V377-F408 HydrophobicContact CG2-CD1 4.32Å; V377-F408 HydrophobicContact CG2-CE1 4.11Å
378K94.9Very high92.9Very high128 Ų12860.2 Ų60.256%0.55734%0.337SS*.EExtended strand (participates in β ladder)trans-141.8120.6-178-78.7-173.6166.5-172.20112.3R376 I392 V393R376-K378 HydrophobicContact CG-CG 4.32Å; K378-I392 CarbonylContact O-C 3.56Å; K378-I392 WeakPolarHBondContact O-CA 3.34Å; K378-V393 PolarHBondContact N-O 3.26Å; K378-V393 PolarHBondContact O-N 2.86Å
379P96.3Very high93.1Very high48 Ų4857.2 Ų57.231%0.31234%0.337SS..SBendcis-67.1145.8-14.529.5-35.8000111.9F365 V390 I392F365-P379 HydrophobicContact CE2-CG 4.26Å; F365-P379 HydrophobicContact CZ-CG 3.88Å; P379-V390 HydrophobicContact CG-CG1 4.08Å; P379-I392 HydrophobicContact CG-CG1 4.19Å; P379-I392 WeakPolarHBondContact O-CG2 3.47Å
380S93.5Very high93.2Very high65 Ų6557.3 Ų57.346%0.45534%0.337SS..SBendtrans-90.6-14.517357.80000113.3K366 V367K366-S380 CarbonylContact C-O 3.55Å; K366-S380 WeakPolarHBondContact CA-O 3.47Å; V367-S380 PolarHBondContact N-O 2.99Å
381S94.5Very high93.5Very high41 Ų4157.3 Ų57.329%0.28733%0.333SS..EExtended strand (participates in β ladder)trans-157.7139.4168.3-158.60000109.3F365F365-S381 VanDerWaalsContact O-CA 3.27Å; F365-S381 WeakPolarHBondContact O-CA 3.3Å; F365-S381 PolarHBondContact O-OG 3.22Å
382S95.1Very high93.9Very high40 Ų4057.3 Ų57.328%0.2833%0.333SS..EExtended strand (participates in β ladder)trans-164.3178.7175.1-171.70000108.6F365F365-S382 WeakPolarHBondContact CD1-O 3.27Å; F365-S382 PolarHBondContact N-O 2.82Å; F365-S382 PolarHBondContact O-N 3.49Å
383S93.8Very high94.2Very high31 Ų3155.1 Ų55.122%0.21732%0.318CS..EExtended strand (participates in β ladder)trans-95.7165156.957.10000111.7Q362 V363Q362-S383 PolarHBondContact NE2-OG 3.27Å; V363-S383 CarbonylContact O-C 3.54Å; V363-S383 WeakPolarHBondContact O-CA 3.06Å
384C94.4Very high94.5Very high3 Ų349.9 Ų49.92%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-132.2125.6171.8-174.80000109.4N357 V363 F365 A388 V390N357-C384 HydrophobicContact CB-CB 4.34Å; N357-C384 PolarHBondContact ND2-O 3.14Å; V363-C384 PolarHBondContact N-O 3.16Å; V363-C384 PolarHBondContact O-N 3.14Å; F365-C384 HydrophobicContact CD1-CB 4.4Å; C384-A388 PolarHBondContact SG-O 3.21Å; C384-V390 HydrophobicContact CB-CG2 4.02Å
385E94.4Very high94.6Very high98 Ų9848.7 Ų48.746%0.45829%0.291SS..  trans-68.1157.6179.3-63.5-48.6135.900112.8N357 Q362 G387 A388N357-E385 VanDerWaalsContact CB-O 3.26Å; N357-E385 WeakPolarHBondContact CB-O 3.45Å; N357-E385 VanDerWaalsContact ND2-C 3.34Å; N357-E385 PolarHBondContact ND2-O 3.21Å; Q362-E385 PolarHBondContact NE2-OE1 2.83Å; E385-G387 PolarHBondContact O-N 3.45Å; E385-A388 HydrophobicContact CB-CB 3.96Å; E385-A388 WeakPolarHBondContact O-CB 3.39Å; E385-A388 PolarHBondContact O-N 2.99Å
386P95.5Very high94.4Very high58 Ų5849.7 Ų49.738%0.37730%0.297SS..THydrogen-bonded Turntrans-51128.1174.4-25.432.8000112.3K360 A388K360-P386 VanDerWaalsContact O-CG 3.31Å; K360-P386 WeakPolarHBondContact O-CG 3.46Å; P386-A388 PolarHBondContact O-N 3.13Å
387G92Very high93.8Very high65 Ų6546.3 Ų46.367%0.6729%0.287SS*.THydrogen-bonded Turntrans69.7-6.6-179.100000115.9N357 E385N357-G387 VanDerWaalsContact O-CA 3.28Å; N357-G387 WeakPolarHBondContact O-CA 3.41Å; N357-G387 PolarHBondContact O-N 3.23Å; N357-G387 VanDerWaalsContact O-N 3.09Å; E385-G387 PolarHBondContact O-N 3.45Å
388A94.6Very high92.8Very high37 Ų3749.2 Ų49.231%0.30632%0.32SS..  trans-77.2166.9176.700000111.9S356 N357 C384 E385 P386S356-A388 WeakPolarHBondContact CA-O 3.47Å; N357-A388 PolarHBondContact N-O 3.2Å; C384-A388 PolarHBondContact SG-O 3.21Å; E385-A388 HydrophobicContact CB-CB 3.96Å; E385-A388 WeakPolarHBondContact O-CB 3.39Å; E385-A388 PolarHBondContact O-N 2.99Å; P386-A388 PolarHBondContact O-N 3.13Å
389S95.3Very high91.7Very high68 Ų6847 Ų4748%0.47633%0.333SS..EExtended strand (participates in β ladder)trans-129.2147.2170.7-59.80000111.4L355 S356L355-S389 CarbonylContact O-C 3.45Å; L355-S389 WeakPolarHBondContact O-CA 3.36Å; S356-S389 VanDerWaalsContact CB-OG 3.29Å; S356-S389 WeakPolarHBondContact CB-OG 3.36Å; S356-S389 PolarHBondContact OG-OG 3.26Å
390V94.1Very high91Very high30 Ų3046.7 Ų46.718%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-125.1124.5179.2179.80000110.5L355 F365 P379 C384 I392L355-V390 PolarHBondContact N-O 3.35Å; L355-V390 PolarHBondContact O-N 3.5Å; F365-V390 HydrophobicContact CE1-CB 4.14Å; F365-V390 HydrophobicContact CE1-CG1 3.99Å; F365-V390 HydrophobicContact CE1-CG2 4.2Å; F365-V390 HydrophobicContact CZ-CB 4.35Å; F365-V390 HydrophobicContact CZ-CG1 3.76Å; P379-V390 HydrophobicContact CG-CG1 4.08Å; C384-V390 HydrophobicContact CB-CG2 4.02Å; V390-I392 HydrophobicContact CG1-CG1 4.33Å
391D95.4Very high90.5Very high92 Ų9251.6 Ų51.649%0.49235%0.348SS..EExtended strand (participates in β ladder)trans-85.2122.5175.7-88.519000110.7L352L352-D391 HydrophobicContact CD1-CB 3.92Å
392I96.6Very high90Very high0 Ų050.4 Ų50.40%034%0.34CS..EExtended strand (participates in β ladder)trans-117.3113.7-179.4-57.5174.9000109.2I353 L355 F365 V367 V377 K378 P379 V390I353-I392 HydrophobicContact CB-CB 4.18Å; I353-I392 PolarHBondContact N-O 3.32Å; I353-I392 PolarHBondContact O-N 2.9Å; L355-I392 HydrophobicContact CD1-CD1 3.48Å; L355-I392 VanDerWaalsContact CD1-CD1 3.48Å; L355-I392 HydrophobicContact CG-CD1 3.84Å; F365-I392 HydrophobicContact CD2-CD1 3.95Å; F365-I392 HydrophobicContact CE2-CD1 3.38Å; F365-I392 HydrophobicContact CE2-CG1 4.16Å; F365-I392 HydrophobicContact CZ-CD1 3.9Å; F365-I392 HydrophobicContact CZ-CG1 4.33Å; V367-I392 HydrophobicContact CG2-CD1 3.71Å; V377-I392 HydrophobicContact CG1-CG2 3.5Å; V377-I392 VanDerWaalsContact CG1-CG2 3.5Å; K378-I392 CarbonylContact O-C 3.56Å; K378-I392 WeakPolarHBondContact O-CA 3.34Å; P379-I392 HydrophobicContact CG-CG1 4.19Å; P379-I392 WeakPolarHBondContact O-CG2 3.47Å; V390-I392 HydrophobicContact CG1-CG1 4.33Å
393V95.3Very high89.5Confident43 Ų4350 Ų5026%0.26134%0.337SS..EExtended strand (participates in β ladder)trans-87120.9177.1-1770000109.6L352 V377 K378L352-V393 HydrophobicContact CD1-CG2 4.2Å; V377-V393 WeakPolarHBondContact CA-O 3.28Å; K378-V393 PolarHBondContact N-O 3.26Å; K378-V393 PolarHBondContact O-N 2.86Å
394V94.9Very high88.8Confident0 Ų052.4 Ų52.40%035%0.353CS..EExtended strand (participates in β ladder)trans-102.2129.4169.4-174.20000108.2L340 F342 K350 C351 I353 Y375 V377 F408L340-V394 HydrophobicContact CD1-CB 4.49Å; L340-V394 HydrophobicContact CD1-CG2 4.1Å; F342-V394 HydrophobicContact CE1-CG1 4.31Å; F342-V394 HydrophobicContact CZ-CB 4.35Å; F342-V394 HydrophobicContact CZ-CG1 3.75Å; K350-V394 CarbonylContact C-O 3.52Å; K350-V394 VanDerWaalsContact CA-O 3.27Å; K350-V394 WeakPolarHBondContact CA-O 3.38Å; C351-V394 PolarHBondContact N-O 3.06Å; C351-V394 PolarHBondContact O-N 2.91Å; I353-V394 HydrophobicContact CD1-CG2 3.73Å; I353-V394 HydrophobicContact CG1-CG2 4.21Å; Y375-V394 HydrophobicContact CD1-CG1 4.08Å; V377-V394 HydrophobicContact CG1-CG2 4.35Å; V377-V394 HydrophobicContact CG2-CG1 4.31Å; V377-V394 HydrophobicContact CG2-CG2 4.32Å; V394-F408 HydrophobicContact CG1-CD1 4.34Å; V394-F408 HydrophobicContact CG1-CE1 3.48Å; V394-F408 VanDerWaalsContact CG1-CE1 3.48Å; V394-F408 HydrophobicContact CG1-CZ 3.61Å
395S93.1Very high88.2Confident20 Ų2059.9 Ų59.914%0.1439%0.387CS..EExtended strand (participates in β ladder)trans-140.4134.3-174.153.50000112.8K349 Y375 R376K349-S395 WeakPolarHBondContact O-CA 3.35Å; Y375-S395 WeakPolarHBondContact CA-O 3.48Å; R376-S395 PolarHBondContact N-O 2.76Å; R376-S395 PolarHBondContact O-N 2.99Å; R376-S395 PolarHBondContact O-OG 3.15Å
396L89.6Confident87.9Confident28 Ų2855.7 Ų55.715%0.14737%0.368CS..EExtended strand (participates in β ladder)trans-69.8141.3169.1-76166.8000110.5F342 K349 K374 Y375 A402F342-L396 HydrophobicContact CB-CD1 4.18Å; F342-L396 HydrophobicContact CD1-CD1 3.92Å; F342-L396 HydrophobicContact CD1-CG 3.98Å; F342-L396 HydrophobicContact CE1-CG 4.34Å; F342-L396 HydrophobicContact CG-CD1 4.27Å; K349-L396 HydrophobicContact CB-CB 4.35Å; K349-L396 PolarHBondContact O-N 3.12Å; K374-L396 HydrophobicContact CB-CD2 4.36Å; K374-L396 WeakPolarHBondContact O-CA 3.44Å; Y375-L396 HydrophobicContact CD1-CD2 3.74Å; Y375-L396 HydrophobicContact CD1-CG 4.14Å; Y375-L396 HydrophobicContact CE1-CD2 3.4Å; Y375-L396 HydrophobicContact CE1-CG 3.87Å; Y375-L396 HydrophobicContact CG-CD2 4.48Å; L396-A402 HydrophobicContact CD1-CB 4.04Å; L396-A402 HydrophobicContact CD2-CB 4.35Å
397H81.6Confident87.7Confident60 Ų6057.3 Ų57.328%0.27837%0.366SS..  trans-138173.3174.162.379.8000112.8E373 K374 R376 G399 S400E373-H397 PolarHBondContact O-CE1 3.41Å; K374-H397 PolarHBondContact O-CD2 2.69Å; K374-H397 PolarHBondContact O-N 2.97Å; R376-H397 PolarHBondContact N-CD2 2.72Å; H397-G399 PolarHBondContact O-N 2.87Å; H397-S400 WeakPolarHBondContact O-CB 3.33Å; H397-S400 PolarHBondContact O-N 3.34Å; H397-S400 VanDerWaalsContact O-N 3.16Å; H397-S400 PolarHBondContact O-OG 3.09Å
398G74.3Confident87.8Confident79 Ų7954.2 Ų54.281%0.81434%0.335SS*.THydrogen-bonded Turntrans68.614.8173.900000115.6S400G398-S400 PolarHBondContact O-N 2.99Å
399G72.7Confident87.8Confident80 Ų8054 Ų5483%0.82533%0.328SS*.THydrogen-bonded Turntrans76.70.1-172.800000114.2H397H397-G399 PolarHBondContact O-N 2.87Å
400S80.8Confident87.9Confident42 Ų4250.8 Ų50.829%0.29431%0.306SS..PPolyproline II helixtrans-60.8145.8178-55.90000112.3H397 G398H397-S400 WeakPolarHBondContact O-CB 3.33Å; H397-S400 PolarHBondContact O-N 3.34Å; H397-S400 VanDerWaalsContact O-N 3.16Å; H397-S400 PolarHBondContact O-OG 3.09Å; G398-S400 PolarHBondContact O-N 2.99Å
401Q83.6Confident88.1Confident169 Ų16950.5 Ų50.579%0.7930%0.303SS*.PPolyproline II helixtrans-99.8150170.1-65.1-172-8.200110.5
402A83.9Confident88.1Confident15 Ų1546.1 Ų46.112%0.12428%0.279CS..PPolyproline II helixtrans-69.6143.1172.400000111.2F342 Y375 L396 V444F342-A402 HydrophobicContact CB-CB 3.72Å; F342-A402 HydrophobicContact CD2-CB 4.07Å; F342-A402 HydrophobicContact CG-CB 3.98Å; Y375-A402 HydrophobicContact CE1-CB 4.46Å; Y375-A402 VanDerWaalsContact OH-CA 3.26Å; Y375-A402 WeakPolarHBondContact OH-CA 3.35Å; Y375-A402 VanDerWaalsContact OH-CB 3.23Å; Y375-A402 WeakPolarHBondContact OH-CB 3.27Å; L396-A402 HydrophobicContact CD1-CB 4.04Å; L396-A402 HydrophobicContact CD2-CB 4.35Å; A402-V444 HydrophobicContact CB-CG2 4.03Å; A402-V444 WeakPolarHBondContact O-CG2 3.42Å
403S83.5Confident88.1Confident31 Ų3146.1 Ų46.122%0.21728%0.279CS..  trans-114.2141.2172.6176.20000111.5Q405 D406 C442S403-Q405 PolarHBondContact O-N 3.35Å; S403-Q405 PolarHBondContact OG-N 3.26Å; S403-D406 VanDerWaalsContact CB-OD2 3.25Å; S403-D406 WeakPolarHBondContact CB-OD2 3.27Å; S403-D406 PolarHBondContact N-OD2 2.91Å; S403-D406 WeakPolarHBondContact O-CB 3.33Å; S403-D406 PolarHBondContact O-N 3.38Å; S403-C442 WeakPolarHBondContact O-CB 3.39Å
404P80.1Confident88Confident83 Ų8347.7 Ų47.754%0.53928%0.284SS..THydrogen-bonded Turntrans-59.2-9.1169.2-23.134.7000114.6R407 V444P404-R407 VanDerWaalsContact O-CZ 3.29Å; P404-R407 PolarHBondContact O-NH1 2.79Å; P404-R407 PolarHBondContact O-NH2 3.3Å; P404-V444 HydrophobicContact CG-CG2 4.05Å
405Q80.4Confident87.8Confident159 Ų15948.3 Ų48.374%0.74329%0.287SS*.THydrogen-bonded Turntrans-86.6-20.9173-61.1179.3-5.700113.1S403S403-Q405 PolarHBondContact O-N 3.35Å; S403-Q405 PolarHBondContact OG-N 3.26Å
406D89.3Confident87.1Confident10 Ų1054.1 Ų54.15%0.05331%0.312CS..  trans-70.6139.1-176-63.2-38.5000111.1A371 K374 Y375 S403 C442A371-D406 WeakPolarHBondContact CB-OD1 3.41Å; K374-D406 IonicContact NZ-OD1 2.72Å; K374-D406 PolarHBondContact NZ-OD1 2.81Å; K374-D406 IonicContact NZ-OD2 3.44Å; K374-D406 PolarHBondContact NZ-OD2 3.28Å; Y375-D406 HydrophobicContact CE2-CB 3.73Å; Y375-D406 WeakPolarHBondContact CE2-OD2 3.35Å; Y375-D406 PolarHBondContact OH-OD2 2.96Å; S403-D406 VanDerWaalsContact CB-OD2 3.25Å; S403-D406 WeakPolarHBondContact CB-OD2 3.27Å; S403-D406 PolarHBondContact N-OD2 2.91Å; S403-D406 WeakPolarHBondContact O-CB 3.33Å; S403-D406 PolarHBondContact O-N 3.38Å; D406-C442 HydrophobicContact CB-CB 4.04Å; D406-C442 VanDerWaalsContact O-CB 3.26Å; D406-C442 WeakPolarHBondContact O-CB 3.3Å; D406-C442 PolarHBondContact O-N 2.8Å; D406-C442 VanDerWaalsContact O-N 3.14Å
407R89.9Confident85.9Confident92 Ų9258.7 Ų58.735%0.34734%0.336SS..EExtended strand (participates in β ladder)trans-130.7150.7-175.6-59.4-68.1170.9-100.41.3111.2T369 T370 P404T369-R407 VanDerWaalsContact CA-O 3.27Å; T369-R407 WeakPolarHBondContact CA-O 3.49Å; T369-R407 PolarHBondContact OG1-O 2.72Å; T370-R407 HydrophobicContact CG2-CB 3.92Å; T370-R407 PolarHBondContact N-O 3.5Å; T370-R407 PolarHBondContact OG1-N 2.84Å; P404-R407 VanDerWaalsContact O-CZ 3.29Å; P404-R407 PolarHBondContact O-NH1 2.79Å; P404-R407 PolarHBondContact O-NH2 3.3Å
408F94.6Very high84.4Confident1 Ų162.6 Ų62.60%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-119.9135.9171.7-59.9-95.9000109.8L340 F342 R368 T369 Y375 V377 V394 R439 L440L340-F408 HydrophobicContact CD1-CD2 3.69Å; L340-F408 HydrophobicContact CD1-CE2 3.97Å; L340-F408 HydrophobicContact CD1-CG 4.03Å; F342-F408 HydrophobicContact CE2-CE2 4.48Å; R368-F408 CarbonylContact O-C 3.6Å; R368-F408 VanDerWaalsContact O-CA 3.28Å; R368-F408 WeakPolarHBondContact O-CA 3.41Å; T369-F408 HydrophobicContact CG2-CE1 4.45Å; Y375-F408 HydrophobicContact CD1-CE1 4.43Å; Y375-F408 AromaticContact CD1-CZ 3.69Å; Y375-F408 HydrophobicContact CD1-CZ 3.69Å; Y375-F408 HydrophobicContact CD2-CE1 4.39Å; Y375-F408 AromaticContact CD2-CZ 3.78Å; Y375-F408 HydrophobicContact CD2-CZ 3.78Å; Y375-F408 HydrophobicContact CE1-CE2 4.47Å; Y375-F408 AromaticContact CE1-CZ 3.9Å; Y375-F408 HydrophobicContact CE1-CZ 3.9Å; Y375-F408 HydrophobicContact CE2-CZ 4.03Å; Y375-F408 HydrophobicContact CG-CE1 4.07Å; Y375-F408 AromaticContact CG-CZ 3.59Å; Y375-F408 HydrophobicContact CG-CZ 3.59Å; V377-F408 HydrophobicContact CG2-CD1 4.32Å; V377-F408 HydrophobicContact CG2-CE1 4.11Å; V394-F408 HydrophobicContact CG1-CD1 4.34Å; V394-F408 HydrophobicContact CG1-CE1 3.48Å; V394-F408 VanDerWaalsContact CG1-CE1 3.48Å; V394-F408 HydrophobicContact CG1-CZ 3.61Å; F408-R439 CarbonylContact O-C 3.53Å; F408-R439 WeakPolarHBondContact O-CA 3.42Å; F408-L440 HydrophobicContact CB-CB 4.33Å; F408-L440 PolarHBondContact N-O 3.22Å; F408-L440 PolarHBondContact O-N 2.85Å
409L96.1Very high83.5Confident33 Ų3361.3 Ų61.317%0.17335%0.352CS..EExtended strand (participates in β ladder)trans-117117.8177172.862.3000108.6V367 R368 M411 E437 R439V367-L409 CarbonylContact C-O 3.54Å; V367-L409 WeakPolarHBondContact CA-O 3.41Å; R368-L409 PolarHBondContact N-O 2.84Å; R368-L409 PolarHBondContact O-N 2.7Å; L409-M411 HydrophobicContact CD1-CG 4.49Å; L409-M411 HydrophobicContact CD2-CG 4.07Å; L409-M411 HydrophobicContact CD2-SD 4.29Å; L409-M411 HydrophobicContact CG-CG 3.92Å; L409-E437 HydrophobicContact CD1-CB 3.96Å; L409-E437 HydrophobicContact CD1-CG 4.16Å; L409-R439 HydrophobicContact CD1-CG 3.72Å
410I96.9Very high82.8Confident0 Ų063.7 Ų63.70%036%0.356CS..EExtended strand (participates in β ladder)trans-93.8121.4167.8-63.5147.3000106.8V334 I353 L355 V367 E437 H438 L440V334-I410 HydrophobicContact CG1-CD1 3.49Å; V334-I410 VanDerWaalsContact CG1-CD1 3.49Å; V334-I410 HydrophobicContact CG2-CD1 4.34Å; I353-I410 HydrophobicContact CD1-CD1 4.5Å; I353-I410 HydrophobicContact CG2-CD1 4.04Å; L355-I410 HydrophobicContact CD1-CG2 4.12Å; L355-I410 HydrophobicContact CD2-CD1 4.08Å; L355-I410 HydrophobicContact CD2-CG2 4.07Å; V367-I410 HydrophobicContact CG1-CG1 4.32Å; V367-I410 HydrophobicContact CG2-CG1 3.94Å; I410-E437 CarbonylContact O-C 3.49Å; I410-E437 WeakPolarHBondContact O-CA 3.46Å; I410-H438 HydrophobicContact CB-CB 4.49Å; I410-H438 PolarHBondContact N-O 2.89Å; I410-H438 PolarHBondContact O-N 2.67Å; I410-L440 HydrophobicContact CD1-CD1 3.89Å; I410-L440 HydrophobicContact CD1-CG 4.26Å
411M97Very high81.8Confident23 Ų2366.9 Ų66.911%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-106.7135.6170.2-52.7177.974.100107.3F365 K366 L409 W427 I435 M436F365-M411 CarbonylContact C-O 3.56Å; F365-M411 WeakPolarHBondContact CA-O 3.48Å; K366-M411 PolarHBondContact N-O 2.92Å; K366-M411 PolarHBondContact O-N 2.85Å; L409-M411 HydrophobicContact CD1-CG 4.49Å; L409-M411 HydrophobicContact CD2-CG 4.07Å; L409-M411 HydrophobicContact CD2-SD 4.29Å; L409-M411 HydrophobicContact CG-CG 3.92Å; M411-W427 HydrophobicContact CB-CH2 4.02Å; M411-W427 HydrophobicContact CB-CZ3 4.31Å; M411-I435 HydrophobicContact CB-CG2 4.07Å; M411-I435 HydrophobicContact CE-CD1 4.29Å; M411-I435 HydrophobicContact CE-CG2 4.04Å; M411-M436 CarbonylContact C-O 3.56Å; M411-M436 WeakPolarHBondContact CA-O 3.17Å
412A96.9Very high81.6Confident0 Ų065 Ų650%036%0.357CS..EExtended strand (participates in β ladder)trans-137.5141.9177.600000110.5L332 V363 A364 I435 M436L332-A412 HydrophobicContact CD1-CB 3.54Å; L332-A412 HydrophobicContact CG-CB 3.91Å; V363-A412 HydrophobicContact CG1-CB 3.93Å; A364-A412 CarbonylContact O-C 3.52Å; A364-A412 VanDerWaalsContact O-CA 3.25Å; A364-A412 WeakPolarHBondContact O-CA 3.42Å; A412-I435 CarbonylContact O-C 3.5Å; A412-I435 WeakPolarHBondContact O-CA 3.39Å; A412-M436 HydrophobicContact CB-CB 4.3Å; A412-M436 PolarHBondContact N-O 2.93Å; A412-M436 PolarHBondContact O-N 2.96Å
413A96.3Very high81.7Confident0 Ų066.6 Ų66.60%036%0.363CS..EExtended strand (participates in β ladder)trans-148.5143174.800000110.9V363 A364 F426 W427 V430 I435V363-A413 WeakPolarHBondContact CA-O 3.15Å; A364-A413 PolarHBondContact N-O 2.78Å; A364-A413 PolarHBondContact O-N 2.97Å; A413-F426 HydrophobicContact CB-CE1 3.9Å; A413-F426 HydrophobicContact CB-CZ 3.72Å; A413-W427 HydrophobicContact CB-CH2 4.22Å; A413-W427 HydrophobicContact CB-CZ3 4.28Å; A413-V430 HydrophobicContact CB-CG2 3.79Å; A413-I435 HydrophobicContact CB-CG1 4.43Å
414E93.8Very high81.8Confident77 Ų7769 Ų6936%0.3638%0.377SS..EExtended strand (participates in β ladder)trans-72.4137.3-179.2-161.2171.3-158.600110.8L331 N361L331-E414 HydrophobicContact CD2-CB 4.24Å; N361-E414 HydrophobicContact CB-CG 3.66Å; N361-E414 WeakPolarHBondContact CB-OE1 3.42Å; N361-E414 PolarHBondContact ND2-OE1 2.98Å
415M88.8Confident82.2Confident12 Ų1268.5 Ų68.56%0.05937%0.367CS..EExtended strand (participates in β ladder)trans-104.4118.4179.7-59.8-179.967.700109.4Q362 A364 N417 L423 F426Q362-M415 HydrophobicContact CB-CB 4.35Å; Q362-M415 HydrophobicContact CG-SD 4.19Å; Q362-M415 WeakPolarHBondContact O-CB 3.26Å; Q362-M415 PolarHBondContact O-N 2.91Å; Q362-M415 PolarHBondContact OE1-SD 3.04Å; A364-M415 HydrophobicContact CB-CG 3.97Å; A364-M415 HydrophobicContact CB-SD 3.69Å; M415-N417 PolarHBondContact O-N 2.84Å; M415-L423 HydrophobicContact CE-CD2 4.46Å; M415-L423 HydrophobicContact SD-CD2 4.3Å; M415-F426 HydrophobicContact CB-CE2 4.34Å; M415-F426 HydrophobicContact CE-CD2 4.43Å; M415-F426 HydrophobicContact CG-CD2 4.12Å; M415-F426 HydrophobicContact CG-CE1 4.42Å; M415-F426 HydrophobicContact CG-CE2 3.71Å; M415-F426 HydrophobicContact CG-CZ 3.87Å
416E79.4Confident82.7Confident143 Ų14361.6 Ų61.667%0.66834%0.335SS*.  trans-75.3103.6175.4-66.4172.1-15000108.2T418 K434E416-T418 PolarHBondContact O-N 2.8Å; E416-K434 IonicContact OE1-NZ 3.43Å; E416-K434 PolarHBondContact OE1-NZ 3.12Å
417N63.9Low82.8Confident124 Ų12463.1 Ų63.166%0.66334%0.34SS*.  trans-70.4108.7-163.4-1729.6000113M415M415-N417 PolarHBondContact O-N 2.84Å
418T50.4Low82.8Confident141 Ų14165.4 Ų65.487%0.86535%0.352SS*.SBendtrans-153.112.8170.84.80000116.1E416E416-T418 PolarHBondContact O-N 2.8Å
419G55.5Low82.5Confident53 Ų5370.3 Ų70.355%0.54638%0.378SS..SBendtrans164.4168.4176.600000112.5Q421G419-Q421 PolarHBondContact O-N 2.91Å
420S56.8Low82.3Confident130 Ų13069.9 Ų69.991%0.90938%0.377SS*.  trans-7469.5176.862.50000111.2E422S420-E422 PolarHBondContact O-N 2.87Å
421Q61.6Low81.9Confident109 Ų10975.5 Ų75.551%0.50940%0.403SS..  trans-61.4121.5167.2-75.6-169.3-12.800108.7G419 L423G419-Q421 PolarHBondContact O-N 2.91Å; Q421-L423 PolarHBondContact O-N 3.15Å
422E78.5Confident81.4Confident130 Ų13083.5 Ų83.561%0.60744%0.437SS*.  trans-60.2128.4173.3-164.3-165.1146.300108.7S420 T424 Q425 F426S420-E422 PolarHBondContact O-N 2.87Å; E422-T424 PolarHBondContact O-N 2.9Å; E422-T424 VanDerWaalsContact OE1-CB 3.23Å; E422-T424 WeakPolarHBondContact OE1-CB 3.32Å; E422-T424 PolarHBondContact OE1-OG1 3.25Å; E422-Q425 WeakPolarHBondContact O-CA 3.36Å; E422-Q425 WeakPolarHBondContact O-CB 3.3Å; E422-Q425 PolarHBondContact O-N 3.47Å; E422-F426 PolarHBondContact O-N 3.49Å; E422-F426 VanDerWaalsContact O-N 3.07Å
423L86.7Confident80.9Confident48 Ų4889.9 Ų89.925%0.25147%0.472SS..Hα-helixtrans-51.9-33.8-178.3-72.7169.3000112.2A364 M415 Q421 Q425 W427A364-L423 HydrophobicContact CB-CD2 3.86Å; M415-L423 HydrophobicContact CE-CD2 4.46Å; M415-L423 HydrophobicContact SD-CD2 4.3Å; Q421-L423 PolarHBondContact O-N 3.15Å; L423-Q425 VanDerWaalsContact C-N 3.3Å; L423-Q425 PolarHBondContact O-N 2.95Å; L423-W427 PolarHBondContact O-N 3.35Å
424T85.9Confident80.6Confident82 Ų8294.9 Ų94.950%0.50349%0.493SS..Hα-helixtrans-57-40174.1-47.70000112.9E422E422-T424 PolarHBondContact O-N 2.9Å; E422-T424 VanDerWaalsContact OE1-CB 3.23Å; E422-T424 WeakPolarHBondContact OE1-CB 3.32Å; E422-T424 PolarHBondContact OE1-OG1 3.25Å
425Q87.4Confident80.5Confident72 Ų7292.9 Ų92.934%0.33649%0.485SS..Hα-helixtrans-81.4-44.1-179.1-171.85536.700110.9E422 L423 W427 K428 D429E422-Q425 WeakPolarHBondContact O-CA 3.36Å; E422-Q425 WeakPolarHBondContact O-CB 3.3Å; E422-Q425 PolarHBondContact O-N 3.47Å; L423-Q425 VanDerWaalsContact C-N 3.3Å; L423-Q425 PolarHBondContact O-N 2.95Å; Q425-W427 VanDerWaalsContact C-N 3.27Å; Q425-W427 PolarHBondContact O-N 3.37Å; Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.5Å; Q425-D429 WeakPolarHBondContact CG-OD2 3.27Å; Q425-D429 VanDerWaalsContact NE2-CG 3.25Å; Q425-D429 PolarHBondContact NE2-OD1 3.43Å; Q425-D429 PolarHBondContact NE2-OD2 2.9Å; Q425-D429 PolarHBondContact O-N 3.21Å
426F90.8Very high80.8Confident13 Ų1393.4 Ų93.46%0.05749%0.487CS..Hα-helixtrans-50.7-45.8173172.7-92.3000112.3A364 A413 M415 E422 K428 D429 V430A364-F426 HydrophobicContact CB-CD1 3.75Å; A364-F426 HydrophobicContact CB-CE1 3.44Å; A364-F426 VanDerWaalsContact CB-CE1 3.44Å; A364-F426 HydrophobicContact CB-CZ 4.15Å; A413-F426 HydrophobicContact CB-CE1 3.9Å; A413-F426 HydrophobicContact CB-CZ 3.72Å; M415-F426 HydrophobicContact CB-CE2 4.34Å; M415-F426 HydrophobicContact CE-CD2 4.43Å; M415-F426 HydrophobicContact CG-CD2 4.12Å; M415-F426 HydrophobicContact CG-CE1 4.42Å; M415-F426 HydrophobicContact CG-CE2 3.71Å; M415-F426 HydrophobicContact CG-CZ 3.87Å; E422-F426 PolarHBondContact O-N 3.49Å; E422-F426 VanDerWaalsContact O-N 3.07Å; F426-K428 PolarHBondContact O-N 2.96Å; F426-D429 PolarHBondContact O-N 3.01Å; F426-V430 HydrophobicContact CE1-CB 4.24Å; F426-V430 HydrophobicContact CE1-CG1 4.34Å; F426-V430 HydrophobicContact CE1-CG2 4.39Å; F426-V430 HydrophobicContact CE2-CB 4.48Å; F426-V430 HydrophobicContact CZ-CB 4.15Å; F426-V430 HydrophobicContact CZ-CG2 4.03Å; F426-V430 WeakPolarHBondContact O-CB 3.23Å; F426-V430 WeakPolarHBondContact O-CG1 3.37Å; F426-V430 PolarHBondContact O-N 2.97Å
427W91.5Very high81.5Confident43 Ų4390.5 Ų90.516%0.16347%0.474CS..Hα-helixtrans-69.7-8.7178.6-76.8118.6000115.3A364 K366 M411 A413 L423 Q425 V430 I435A364-W427 HydrophobicContact CB-CZ2 3.96Å; K366-W427 HydrophobicContact CB-CZ2 3.91Å; M411-W427 HydrophobicContact CB-CH2 4.02Å; M411-W427 HydrophobicContact CB-CZ3 4.31Å; A413-W427 HydrophobicContact CB-CH2 4.22Å; A413-W427 HydrophobicContact CB-CZ3 4.28Å; L423-W427 PolarHBondContact O-N 3.35Å; Q425-W427 VanDerWaalsContact C-N 3.27Å; Q425-W427 PolarHBondContact O-N 3.37Å; W427-V430 HydrophobicContact CE3-CG1 3.8Å; W427-V430 HydrophobicContact CZ3-CG1 4.24Å; W427-I435 HydrophobicContact CZ3-CD1 4.21Å; W427-I435 HydrophobicContact CZ3-CG1 4.38Å; W427-I435 HydrophobicContact CZ3-CG2 4.24Å
428K90.3Very high82.8Confident140 Ų14085.4 Ų85.461%0.60945%0.446SS*.Hα-helixtrans-89.2-38.9169.3-62.5173.9-162.21610111.7Q425 F426Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.5Å; F426-K428 PolarHBondContact O-N 2.96Å
429D88.7Confident84.8Confident103 Ų10383.1 Ų83.155%0.55142%0.421SS*.Hα-helixtrans-89.7-22.8-169.5-56.8-24.8000112.6Q425 F426 Q431Q425-D429 WeakPolarHBondContact CG-OD2 3.27Å; Q425-D429 VanDerWaalsContact NE2-CG 3.25Å; Q425-D429 PolarHBondContact NE2-OD1 3.43Å; Q425-D429 PolarHBondContact NE2-OD2 2.9Å; Q425-D429 PolarHBondContact O-N 3.21Å; F426-D429 PolarHBondContact O-N 3.01Å; D429-Q431 PolarHBondContact O-N 3.37Å
430V91.7Very high86.4Confident24 Ų2480.6 Ų80.615%0.14540%0.395CS..SBendtrans-63.7125.5179.9660000112.4A413 F426 W427 K434 I435A413-V430 HydrophobicContact CB-CG2 3.79Å; F426-V430 HydrophobicContact CE1-CB 4.24Å; F426-V430 HydrophobicContact CE1-CG1 4.34Å; F426-V430 HydrophobicContact CE1-CG2 4.39Å; F426-V430 HydrophobicContact CE2-CB 4.48Å; F426-V430 HydrophobicContact CZ-CB 4.15Å; F426-V430 HydrophobicContact CZ-CG2 4.03Å; F426-V430 WeakPolarHBondContact O-CB 3.23Å; F426-V430 WeakPolarHBondContact O-CG1 3.37Å; F426-V430 PolarHBondContact O-N 2.97Å; W427-V430 HydrophobicContact CE3-CG1 3.8Å; W427-V430 HydrophobicContact CZ3-CG1 4.24Å; V430-K434 HydrophobicContact CG2-CB 4.46Å; V430-I435 HydrophobicContact CG1-CD1 4.09Å; V430-I435 HydrophobicContact CG1-CG1 4.34Å; V430-I435 HydrophobicContact CG2-CG1 4.18Å
431Q87.8Confident87.9Confident118 Ų11878.8 Ų78.855%0.55137%0.369SS*.  trans-66.8133.8178.5-60.1179.4-1.800110.8D429 N433 K434D429-Q431 PolarHBondContact O-N 3.37Å; Q431-N433 WeakPolarHBondContact CB-OD1 3.47Å; Q431-N433 PolarHBondContact O-N 2.81Å; Q431-N433 VanDerWaalsContact O-N 3.1Å; Q431-K434 PolarHBondContact O-N 2.93Å
432K86.3Confident89.2Confident191 Ų19173.8 Ų73.883%0.8335%0.346SS*.G310 helixtrans-57.6-30.5-173.4-65.5-179.7-178.3174.50114.2K434 I435K432-K434 VanDerWaalsContact C-N 3.34Å; K432-I435 PolarHBondContact O-N 2.93Å
433N86.9Confident89.4Confident134 Ų13471.2 Ų71.272%0.71733%0.334SS*.G310 helixtrans-73.2-18.9176.962.6-19.3000114.1Q431 I435Q431-N433 WeakPolarHBondContact CB-OD1 3.47Å; Q431-N433 PolarHBondContact O-N 2.81Å; Q431-N433 VanDerWaalsContact O-N 3.1Å; N433-I435 VanDerWaalsContact C-N 3.33Å
434K89.7Confident89.2Confident105 Ų10571.3 Ų71.346%0.45734%0.336SS..G310 helixtrans-85.6-2173.2-70.2-169.1172.1-172.30113.1E416 V430 Q431 K432E416-K434 IonicContact OE1-NZ 3.43Å; E416-K434 PolarHBondContact OE1-NZ 3.12Å; V430-K434 HydrophobicContact CG2-CB 4.46Å; Q431-K434 PolarHBondContact O-N 2.93Å; K432-K434 VanDerWaalsContact C-N 3.34Å
435I92.8Very high88.8Confident35 Ų3570.4 Ų70.418%0.17933%0.328CS..  trans-92.3116.2-177.3-53176.4000110.2M411 A412 A413 W427 V430 K432 N433 E437M411-I435 HydrophobicContact CB-CG2 4.07Å; M411-I435 HydrophobicContact CE-CD1 4.29Å; M411-I435 HydrophobicContact CE-CG2 4.04Å; A412-I435 CarbonylContact O-C 3.5Å; A412-I435 WeakPolarHBondContact O-CA 3.39Å; A413-I435 HydrophobicContact CB-CG1 4.43Å; W427-I435 HydrophobicContact CZ3-CD1 4.21Å; W427-I435 HydrophobicContact CZ3-CG1 4.38Å; W427-I435 HydrophobicContact CZ3-CG2 4.24Å; V430-I435 HydrophobicContact CG1-CD1 4.09Å; V430-I435 HydrophobicContact CG1-CG1 4.34Å; V430-I435 HydrophobicContact CG2-CG1 4.18Å; K432-I435 PolarHBondContact O-N 2.93Å; N433-I435 VanDerWaalsContact C-N 3.33Å; I435-E437 HydrophobicContact CG2-CG 4.4Å
436M93.3Very high87.7Confident24 Ų2474.1 Ų74.112%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-72.1132163.8172.8-176.4142.900109.7F327 L331 L332 V334 M411 A412 H438F327-M436 HydrophobicContact CD1-CE 4.45Å; F327-M436 HydrophobicContact CE1-CE 3.92Å; L331-M436 HydrophobicContact CB-CB 4.42Å; L331-M436 HydrophobicContact CB-SD 3.94Å; L331-M436 HydrophobicContact CD1-CB 3.87Å; L331-M436 HydrophobicContact CG-CB 4.13Å; L331-M436 HydrophobicContact CG-SD 4.48Å; L332-M436 HydrophobicContact CB-CE 4.36Å; L332-M436 VanDerWaalsContact O-CE 3.3Å; L332-M436 WeakPolarHBondContact O-CE 3.38Å; V334-M436 HydrophobicContact CG2-CE 4.28Å; M411-M436 CarbonylContact C-O 3.56Å; M411-M436 WeakPolarHBondContact CA-O 3.17Å; A412-M436 HydrophobicContact CB-CB 4.3Å; A412-M436 PolarHBondContact N-O 2.93Å; A412-M436 PolarHBondContact O-N 2.96Å; M436-H438 HydrophobicContact CE-CB 4.13Å
437E94.7Very high85.7Confident82 Ų8277.2 Ų77.238%0.38337%0.374SS..EExtended strand (participates in β ladder)trans-118.7134.4171.6-69.1-165.2151.100111.6L409 I410 I435 R439L409-E437 HydrophobicContact CD1-CB 3.96Å; L409-E437 HydrophobicContact CD1-CG 4.16Å; I410-E437 CarbonylContact O-C 3.49Å; I410-E437 WeakPolarHBondContact O-CA 3.46Å; I435-E437 HydrophobicContact CG2-CG 4.4Å; E437-R439 IonicContact OE1-NH2 2.7Å; E437-R439 IonicContact OE2-CZ 2.79Å; E437-R439 IonicContact OE2-NH1 2.67Å; E437-R439 PolarHBondContact OE2-NH1 3.18Å; E437-R439 IonicContact OE2-NH2 3.12Å; E437-R439 PolarHBondContact OE2-NH2 2.66Å
438H92.6Very high83Confident16 Ų1681.8 Ų81.87%0.07441%0.406CS..EExtended strand (participates in β ladder)trans-132.5141172-176.379.4000110.5F327 V334 S337 I410 M436 L440F327-H438 VanDerWaalsContact CB-CE1 3.42Å; F327-H438 WeakPolarHBondContact CB-CE1 3.2Å; F327-H438 HydrophobicContact CD1-CB 4.47Å; F327-H438 AromaticContact CD1-CE1 3.66Å; F327-H438 AromaticContact CD1-CG 3.85Å; F327-H438 AromaticContact CD1-ND1 3.17Å; F327-H438 WeakPolarHBondContact CD1-ND1 3.44Å; F327-H438 AromaticContact CD2-CE1 3.65Å; F327-H438 AromaticContact CD2-ND1 3.63Å; F327-H438 HydrophobicContact CE1-CB 4.38Å; F327-H438 AromaticContact CE1-ND1 3.46Å; F327-H438 WeakPolarHBondContact CE1-ND1 3.27Å; F327-H438 AromaticContact CE2-ND1 3.9Å; F327-H438 AromaticContact CG-CE1 3.27Å; F327-H438 WeakPolarHBondContact CG-CE1 3.39Å; F327-H438 AromaticContact CG-ND1 3.26Å; F327-H438 VanDerWaalsContact CG-ND1 3.26Å; F327-H438 WeakPolarHBondContact CG-ND1 3.36Å; F327-H438 AromaticContact CZ-ND1 3.82Å; V334-H438 HydrophobicContact CG2-CB 4.19Å; S337-H438 PolarHBondContact O-CE1 2.74Å; S337-H438 PolarHBondContact O-NE2 3.44Å; I410-H438 HydrophobicContact CB-CB 4.49Å; I410-H438 PolarHBondContact N-O 2.89Å; I410-H438 PolarHBondContact O-N 2.67Å; M436-H438 HydrophobicContact CE-CB 4.13Å; H438-L440 WeakPolarHBondContact NE2-CD2 3.4Å
439R90.5Very high80.5Confident93 Ų9383.9 Ų83.935%0.35142%0.415SS..EExtended strand (participates in β ladder)trans-125.3126.1-170.5-73.3177.5174.278.77.8111.9W193 F408 L409 E437W193-R439 VanDerWaalsContact CH2-NE 3.26Å; F408-R439 CarbonylContact O-C 3.53Å; F408-R439 WeakPolarHBondContact O-CA 3.42Å; L409-R439 HydrophobicContact CD1-CG 3.72Å; E437-R439 IonicContact OE1-NH2 2.7Å; E437-R439 IonicContact OE2-CZ 2.79Å; E437-R439 IonicContact OE2-NH1 2.67Å; E437-R439 PolarHBondContact OE2-NH1 3.18Å; E437-R439 IonicContact OE2-NH2 3.12Å; E437-R439 PolarHBondContact OE2-NH2 2.66Å
440L89.6Confident77.7Confident0 Ų084.5 Ų84.50%043%0.427CS..EExtended strand (participates in β ladder)trans-106.3137.2175.4-56174.2000110.6V334 P336 E338 L340 I353 F408 I410 H438V334-L440 HydrophobicContact CG1-CD1 4.46Å; P336-L440 VanDerWaalsContact O-CD2 3.27Å; P336-L440 WeakPolarHBondContact O-CD2 3.37Å; E338-L440 CarbonylContact O-C 3.5Å; E338-L440 VanDerWaalsContact O-CA 3.3Å; E338-L440 WeakPolarHBondContact O-CA 3.3Å; L340-L440 HydrophobicContact CD1-CD1 4.2Å; L340-L440 HydrophobicContact CD2-CD1 4.22Å; L340-L440 HydrophobicContact CG-CB 4.36Å; L340-L440 HydrophobicContact CG-CD1 4.1Å; I353-L440 HydrophobicContact CD1-CD1 3.85Å; I353-L440 HydrophobicContact CG1-CD1 3.79Å; I353-L440 HydrophobicContact CG2-CD1 4.35Å; F408-L440 HydrophobicContact CB-CB 4.33Å; F408-L440 PolarHBondContact N-O 3.22Å; F408-L440 PolarHBondContact O-N 2.85Å; I410-L440 HydrophobicContact CD1-CD1 3.89Å; I410-L440 HydrophobicContact CD1-CG 4.26Å; H438-L440 WeakPolarHBondContact NE2-CD2 3.4Å
441R89.1Confident75Confident92 Ų9287.8 Ų87.835%0.34746%0.457SS..EExtended strand (participates in β ladder)trans-86.3156171.9-56.5-174.1-66.5-91.45.9110.2E338 E339 L340E338-R441 PolarHBondContact O-N 3.48Å; E338-R441 IonicContact OE2-CZ 3.39Å; E338-R441 VanDerWaalsContact OE2-CZ 3.23Å; E338-R441 IonicContact OE2-NH1 3.22Å; E338-R441 PolarHBondContact OE2-NH1 2.67Å; E338-R441 IonicContact OE2-NH2 3.67Å; E338-R441 PolarHBondContact OE2-NH2 2.8Å; E339-R441 CarbonylContact C-O 3.59Å; E339-R441 VanDerWaalsContact CA-O 3.32Å; E339-R441 WeakPolarHBondContact CA-O 3.42Å; E339-R441 HydrophobicContact CG-CB 4.22Å; E339-R441 IonicContact OE1-CZ 2.8Å; E339-R441 IonicContact OE1-NE 3.49Å; E339-R441 PolarHBondContact OE1-NE 2.78Å; E339-R441 IonicContact OE1-NH2 2.61Å; E339-R441 PolarHBondContact OE1-NH2 3.35Å; L340-R441 PolarHBondContact N-O 2.98Å
442C88Confident72.3Confident5 Ų587.1 Ų87.13%0.03447%0.472CS..EExtended strand (participates in β ladder)trans-93.3133.7167.3-171.10000109.8F342 Y375 S403 D406F342-C442 WeakPolarHBondContact CD2-SG 3.49Å; Y375-C442 PolarHBondContact OH-SG 3.14Å; S403-C442 WeakPolarHBondContact O-CB 3.39Å; D406-C442 HydrophobicContact CB-CB 4.04Å; D406-C442 VanDerWaalsContact O-CB 3.26Å; D406-C442 WeakPolarHBondContact O-CB 3.3Å; D406-C442 PolarHBondContact O-N 2.8Å; D406-C442 VanDerWaalsContact O-N 3.14Å
443H82.8Confident69.7Low75 Ų7584.3 Ų84.335%0.34747%0.47SS..EExtended strand (participates in β ladder)trans-115.9142172-175.690.1000109.1E339 L340 S341 F342E339-H443 IonicContact OE2-CG 2.67Å; E339-H443 IonicContact OE2-ND1 3.74Å; L340-H443 PolarHBondContact O-N 2.86Å; S341-H443 WeakPolarHBondContact CA-O 3.32Å; F342-H443 PolarHBondContact N-O 2.83Å
444V83.7Confident68Low50 Ų5082.7 Ų82.730%0.30347%0.467SS..EExtended strand (participates in β ladder)trans-113.8123.6-179.7-177.20000108.3F342 A402 P404F342-V444 WeakPolarHBondContact O-CA 3.35Å; A402-V444 HydrophobicContact CB-CG2 4.03Å; A402-V444 WeakPolarHBondContact O-CG2 3.42Å; P404-V444 HydrophobicContact CG-CG2 4.05Å
445L77.6Confident65Low63 Ų6386.4 Ų86.433%0.3349%0.485SS..  trans-85.9112-179.4-63.8171.3000110.2F342 S447F342-L445 PolarHBondContact O-N 3.41Å; L445-S447 PolarHBondContact O-N 2.86Å
446D63.3Low62.4Low150 Ų15095 Ų9580%0.80252%0.516SS*.  trans-69.2127176.6-75.1-36000111.9V448D446-V448 PolarHBondContact O-N 2.9Å
447S49Very low59.3Low79 Ų79100.7 Ų100.755%0.55255%0.546SS*.  trans-81.5102.1171.6-175.20000109.7L445 K449L445-S447 PolarHBondContact O-N 2.86Å; S447-K449 PolarHBondContact O-N 2.83Å
448V35.5Very low56.3Low139 Ų139101.7 Ų101.784%0.84256%0.563SS**  trans-67.498.6172.6-177.40000109.4D446D446-V448 PolarHBondContact O-N 2.9Å
449K36.1Very low53.4Low183 Ų183109.2 Ų109.280%0.79660%0.603SS**PPolyproline II helixtrans-85.2117.2163.3-76.4-173.3176.1-179.70109.1S447 A451S447-K449 PolarHBondContact O-N 2.83Å; K449-A451 PolarHBondContact O-N 3.21Å
450S30.6Very low50.5Low116 Ų116108.4 Ų108.481%0.81162%0.623SS**PPolyproline II helixtrans-56.8129.8176-168.80000110.9
451A34.4Very low48Very low93 Ų93117.1 Ų117.177%0.76966%0.664SS**PPolyproline II helixtrans-79.3122-179.800000110.8K449K449-A451 PolarHBondContact O-N 3.21Å
452A31.2Very low45.5Very low104 Ų104119.7 Ų119.786%0.8669%0.69SS**  trans-113.2129.516400000109.2
453V33Very low43.1Very low132 Ų132123.2 Ų123.280%0.871%0.714SS**  trans-140.9144179.1-163.20000103.6
454P51.5Low41.4Very low100 Ų100125.1 Ų125.165%0.64973%0.731SS**  cis-138175.528.142.8-26000116.6
455H26.6Very low39.6Very low183 Ų183128.9 Ų128.985%0.84775%0.75SS**  -157.2154.9112.9-117.1-86.2000112
456R37.2Very low38.2Very low217 Ų217128 Ų12882%0.81976%0.756SS**  trans-86.3159.8-175-65175.2159-174.2-4.7112.7
457D28.1Very low37.5Very low142 Ų142127.3 Ų127.376%0.75975%0.748SS**  -176.9155.298.8-95.1-20.9000116.6
458S31.3Very low37.5Very low103 Ų103130.1 Ų130.172%0.7275%0.752SS**  trans73.193.3154.7-61.30000123
459L33Very low38.3Very low175 Ų175130 Ų13092%0.91674%0.742SS**  43.1125.5119.5-72.6158000122.3
460G29.6Very low39.5Very low76 Ų76127.2 Ų127.278%0.78474%0.735SS**  trans-179.5111.9158.200000111.2
461E36.1Very low41Very low183 Ų183124.7 Ų124.786%0.85572%0.718SS**  trans-84.2126.4-172.4-63.5-178.8130.800113.4
462T37.4Very low42.4Very low146 Ų146123.3 Ų123.390%0.89670%0.7SS**  trans177.182.3139.520.50000112.1
463S37.8Very low44.2Very low78 Ų78121.3 Ų121.355%0.54568%0.677SS.*  trans-167.145.1170.457.10000116.2N465 G466 Q467S463-N465 PolarHBondContact O-N 3.16Å; S463-G466 PolarHBondContact O-N 2.85Å; S463-Q467 PolarHBondContact O-N 2.77Å
464T45.9Very low46.2Very low115 Ų115119.9 Ų119.971%0.70667%0.665SS**Hα-helixtrans-62.2-37.3-176.644.20000114.7Q468T464-Q468 PolarHBondContact O-N 2.75Å
465N45.9Very low47.3Very low130 Ų130120.9 Ų120.970%0.69566%0.662SS**Hα-helixtrans-66.8-45.3177.7-83.69.6000112.9S463 Q467 Q468 E469S463-N465 PolarHBondContact O-N 3.16Å; N465-Q467 PolarHBondContact O-N 3.29Å; N465-Q468 PolarHBondContact O-N 3.13Å; N465-E469 PolarHBondContact O-N 3.47Å
466G48.4Very low49.6Very low43 Ų43121 Ų12144%0.44366%0.655SS.*Hα-helixtrans-66.1-34.9-174.600000113.5S463 L470S463-G466 PolarHBondContact O-N 2.85Å; G466-L470 VanDerWaalsContact O-CB 3.28Å; G466-L470 WeakPolarHBondContact O-CB 3.48Å; G466-L470 PolarHBondContact O-N 2.99Å
467Q49.7Very low51.6Low137 Ų137115 Ų11564%0.6464%0.642SS**Hα-helixtrans-71.4-34.9175-77-172.6-33.900112.9S463 N465 S471S463-Q467 PolarHBondContact O-N 2.77Å; N465-Q467 PolarHBondContact O-N 3.29Å; Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 2.78Å
468Q48.8Very low54.1Low138 Ų138114 Ų11465%0.64563%0.634SS**Hα-helixtrans-68.2-40.9173.8-81.9-173.6-24.600112.1T464 N465 S471 T472T464-Q468 PolarHBondContact O-N 2.75Å; N465-Q468 PolarHBondContact O-N 3.13Å; Q468-S471 PolarHBondContact O-N 3.06Å; Q468-T472 PolarHBondContact O-N 3.39Å; Q468-T472 PolarHBondContact O-OG1 3Å
469E51.5Low56.3Low135 Ų135110.9 Ų110.963%0.63162%0.615SS**Hα-helixtrans-66.8-41176.3-170.7171.7-164.600112N465 T472 T473N465-E469 PolarHBondContact O-N 3.47Å; E469-T472 WeakPolarHBondContact CA-OG1 3.35Å; E469-T472 PolarHBondContact O-OG1 2.95Å; E469-T472 VanDerWaalsContact O-OG1 3.12Å; E469-T473 VanDerWaalsContact O-CB 3.27Å; E469-T473 WeakPolarHBondContact O-CB 3.4Å; E469-T473 PolarHBondContact O-N 3.01Å; E469-T473 PolarHBondContact O-OG1 3.5Å
470L60.6Low58.6Low125 Ų125106.4 Ų106.465%0.65460%0.598SS**Hα-helixtrans-64.7-42.4174.1-173.366.1000111.8G466 T473 L474G466-L470 VanDerWaalsContact O-CB 3.28Å; G466-L470 WeakPolarHBondContact O-CB 3.48Å; G466-L470 PolarHBondContact O-N 2.99Å; L470-T473 PolarHBondContact O-N 3.38Å; L470-L474 VanDerWaalsContact O-CB 3.32Å; L470-L474 WeakPolarHBondContact O-CB 3.23Å; L470-L474 PolarHBondContact O-N 3.32Å
471S62.8Low61.1Low64 Ų64106.7 Ų106.745%0.44858%0.581SS.*Hα-helixtrans-67.2-40.5178.6-173.70000112.6Q467 Q468 L474 M475Q467-S471 WeakPolarHBondContact O-CB 3.47Å; Q467-S471 PolarHBondContact O-N 2.78Å; Q468-S471 PolarHBondContact O-N 3.06Å; S471-L474 PolarHBondContact O-N 3.3Å; S471-M475 PolarHBondContact O-N 3.46Å
472T63.6Low63.3Low63 Ų63101.3 Ų101.339%0.38756%0.564SS.*Hα-helixtrans-69.3-36.2173.744.30000112.4Q468 E469 M475 R476Q468-T472 PolarHBondContact O-N 3.39Å; Q468-T472 PolarHBondContact O-OG1 3Å; E469-T472 WeakPolarHBondContact CA-OG1 3.35Å; E469-T472 PolarHBondContact O-OG1 2.95Å; E469-T472 VanDerWaalsContact O-OG1 3.12Å; T472-M475 PolarHBondContact O-N 2.77Å; T472-R476 WeakPolarHBondContact O-CG 3.35Å; T472-R476 PolarHBondContact O-N 2.8Å
473T69.4Low65.5Low63 Ų63101.9 Ų101.939%0.38755%0.55SS..Hα-helixtrans-63.5-45.1172-600000111.2E469 L470 M475 R476 V477E469-T473 VanDerWaalsContact O-CB 3.27Å; E469-T473 WeakPolarHBondContact O-CB 3.4Å; E469-T473 PolarHBondContact O-N 3.01Å; E469-T473 PolarHBondContact O-OG1 3.5Å; L470-T473 PolarHBondContact O-N 3.38Å; T473-M475 PolarHBondContact O-N 2.99Å; T473-R476 PolarHBondContact O-N 2.82Å; T473-V477 WeakPolarHBondContact O-CG2 3.38Å; T473-V477 PolarHBondContact O-N 3.2Å
474L74.2Confident67.4Low102 Ų102103.6 Ų103.653%0.53455%0.552SS.*Hα-helixtrans-60.3-45.6176.2-175.363.8000111.6L470 S471 R476 V477 M478L470-L474 VanDerWaalsContact O-CB 3.32Å; L470-L474 WeakPolarHBondContact O-CB 3.23Å; L470-L474 PolarHBondContact O-N 3.32Å; S471-L474 PolarHBondContact O-N 3.3Å; L474-R476 PolarHBondContact O-N 2.82Å; L474-V477 PolarHBondContact O-N 2.85Å; L474-M478 HydrophobicContact CG-SD 4.21Å; L474-M478 WeakPolarHBondContact O-CG 3.49Å; L474-M478 PolarHBondContact O-N 2.83Å
475M74.6Confident69.2Low121 Ų121102.6 Ų102.660%0.59654%0.539SS*.Hα-helixtrans-62.3-38.9174.6-77.8-155.4-75.100112.9S471 T472 T473 M478 A479S471-M475 PolarHBondContact O-N 3.46Å; T472-M475 PolarHBondContact O-N 2.77Å; T473-M475 PolarHBondContact O-N 2.99Å; M475-M478 PolarHBondContact O-N 2.92Å; M475-A479 VanDerWaalsContact O-CB 3.25Å; M475-A479 WeakPolarHBondContact O-CB 3.47Å; M475-A479 PolarHBondContact O-N 2.97Å
476R75.3Confident71.1Confident186 Ų186102.5 Ų102.570%0.70254%0.535SS*.Hα-helixtrans-63-42.2173.5-73.3176.4-170.7172.85.5111.8T472 T473 L474 A479 C480T472-R476 WeakPolarHBondContact O-CG 3.35Å; T472-R476 PolarHBondContact O-N 2.8Å; T473-R476 PolarHBondContact O-N 2.82Å; L474-R476 PolarHBondContact O-N 2.82Å; R476-A479 PolarHBondContact O-N 3.03Å; R476-C480 WeakPolarHBondContact O-CB 3.36Å; R476-C480 PolarHBondContact O-N 2.9Å
477V79.8Confident72.8Confident89 Ų89108.1 Ų108.154%0.53955%0.547SS..Hα-helixtrans-64.8-46.7177.3170.90000111T473 L474 A479 C480 N481T473-V477 WeakPolarHBondContact O-CG2 3.38Å; T473-V477 PolarHBondContact O-N 3.2Å; L474-V477 PolarHBondContact O-N 2.85Å; V477-A479 PolarHBondContact O-N 3.48Å; V477-C480 WeakPolarHBondContact O-CB 3.43Å; V477-C480 PolarHBondContact O-N 2.92Å; V477-C480 VanDerWaalsContact O-N 3.1Å; V477-N481 PolarHBondContact O-N 2.95Å
478M80.4Confident74.5Confident121 Ų121107.4 Ų107.460%0.59655%0.545SS*.Hα-helixtrans-61.6-42.7176.3-68.6177.673.700112L474 M475 C480 N481 S482L474-M478 HydrophobicContact CG-SD 4.21Å; L474-M478 WeakPolarHBondContact O-CG 3.49Å; L474-M478 PolarHBondContact O-N 2.83Å; M475-M478 PolarHBondContact O-N 2.92Å; M478-C480 VanDerWaalsContact C-N 3.27Å; M478-C480 PolarHBondContact O-N 3.42Å; M478-N481 PolarHBondContact O-N 3.26Å; M478-S482 WeakPolarHBondContact O-CB 3.16Å; M478-S482 PolarHBondContact O-N 2.86Å
479A78.6Confident76.3Confident39 Ų39105.9 Ų105.932%0.32254%0.541SS..Hα-helixtrans-69.7-21.3175.400000113.5M475 R476 V477 R483M475-A479 VanDerWaalsContact O-CB 3.25Å; M475-A479 WeakPolarHBondContact O-CB 3.47Å; M475-A479 PolarHBondContact O-N 2.97Å; R476-A479 PolarHBondContact O-N 3.03Å; V477-A479 PolarHBondContact O-N 3.48Å; A479-R483 WeakPolarHBondContact O-CG 3.46Å; A479-R483 PolarHBondContact O-NE 3.21Å
480C80.6Confident78Confident81 Ų81102.8 Ų102.855%0.54754%0.535SS..Hα-helixtrans-77.5-46.7170.1-168.50000110.5R476 V477 M478 S482 R483 L484R476-C480 WeakPolarHBondContact O-CB 3.36Å; R476-C480 PolarHBondContact O-N 2.9Å; V477-C480 WeakPolarHBondContact O-CB 3.43Å; V477-C480 PolarHBondContact O-N 2.92Å; V477-C480 VanDerWaalsContact O-N 3.1Å; M478-C480 VanDerWaalsContact C-N 3.27Å; M478-C480 PolarHBondContact O-N 3.42Å; C480-S482 PolarHBondContact O-N 3.45Å; C480-R483 PolarHBondContact O-N 3.35Å; C480-L484 PolarHBondContact O-N 3.21Å
481N81.3Confident79.1Confident81 Ų81100.8 Ų100.843%0.43353%0.53SS..Hα-helixtrans-62.3-44.9179.9-164.867.7000112V477 M478 R483 L484 E485V477-N481 PolarHBondContact O-N 2.95Å; M478-N481 PolarHBondContact O-N 3.26Å; N481-R483 VanDerWaalsContact C-N 3.32Å; N481-R483 PolarHBondContact O-N 2.97Å; N481-L484 WeakPolarHBondContact O-CA 3.28Å; N481-L484 WeakPolarHBondContact O-CB 3.42Å; N481-L484 PolarHBondContact O-N 3.36Å; N481-E485 PolarHBondContact ND2-OE1 2.9Å; N481-E485 PolarHBondContact O-N 2.92Å
482S82.3Confident80.3Confident71 Ų71101.6 Ų101.650%0.49753%0.529SS..Hα-helixtrans-60.5-38.5175178.20000112.6M478 C480 L484 E485 Q486M478-S482 WeakPolarHBondContact O-CB 3.16Å; M478-S482 PolarHBondContact O-N 2.86Å; C480-S482 PolarHBondContact O-N 3.45Å; S482-L484 VanDerWaalsContact C-N 3.35Å; S482-E485 PolarHBondContact O-N 3.27Å; S482-Q486 WeakPolarHBondContact O-CB 3.25Å; S482-Q486 PolarHBondContact O-N 2.8Å
483R83.9Confident81.8Confident158 Ų158106.9 Ų106.960%0.59654%0.542SS*.Hα-helixtrans-68.5-31.9173.1-83-178.1-86.7-149.8-3.3112.8A479 C480 N481 K487A479-R483 WeakPolarHBondContact O-CG 3.46Å; A479-R483 PolarHBondContact O-NE 3.21Å; C480-R483 PolarHBondContact O-N 3.35Å; N481-R483 VanDerWaalsContact C-N 3.32Å; N481-R483 PolarHBondContact O-N 2.97Å; R483-K487 WeakPolarHBondContact O-CG 3.29Å; R483-K487 PolarHBondContact O-N 2.99Å; R483-K487 VanDerWaalsContact O-N 3.09Å
484L77.9Confident82.8Confident113 Ų113107.3 Ų107.359%0.59255%0.545SS*.Hα-helixtrans-69.7-46.3174.8-163.974.8000111C480 N481 S482 Q486 K487 M488C480-L484 PolarHBondContact O-N 3.21Å; N481-L484 WeakPolarHBondContact O-CA 3.28Å; N481-L484 WeakPolarHBondContact O-CB 3.42Å; N481-L484 PolarHBondContact O-N 3.36Å; S482-L484 VanDerWaalsContact C-N 3.35Å; L484-Q486 VanDerWaalsContact C-N 3.34Å; L484-Q486 PolarHBondContact O-N 2.71Å; L484-K487 PolarHBondContact O-N 3.07Å; L484-M488 WeakPolarHBondContact O-CB 3.26Å; L484-M488 PolarHBondContact O-N 3.41Å
485E83.9Confident83.7Confident95 Ų95108.2 Ų108.244%0.44455%0.546SS..Hα-helixtrans-59.1-43.1173.7-74.1173.6-172.500111.7N481 S482 K487 M488 N489N481-E485 PolarHBondContact ND2-OE1 2.9Å; N481-E485 PolarHBondContact O-N 2.92Å; S482-E485 PolarHBondContact O-N 3.27Å; E485-K487 PolarHBondContact O-N 2.8Å; E485-M488 PolarHBondContact O-N 3.02Å; E485-N489 WeakPolarHBondContact O-CB 3.14Å; E485-N489 PolarHBondContact O-N 3.07Å; E485-N489 PolarHBondContact O-ND2 3.2Å
486Q86.5Confident84.6Confident128 Ų128109.4 Ų109.460%0.59855%0.548SS*.Hα-helixtrans-59.7-47.1175-169.6-178.710.200111.5S482 L484 N489 S490S482-Q486 WeakPolarHBondContact O-CB 3.25Å; S482-Q486 PolarHBondContact O-N 2.8Å; L484-Q486 VanDerWaalsContact C-N 3.34Å; L484-Q486 PolarHBondContact O-N 2.71Å; Q486-N489 PolarHBondContact O-N 3.23Å; Q486-S490 PolarHBondContact O-N 2.97Å; Q486-S490 PolarHBondContact O-OG 2.92Å
487K83.1Confident85.5Confident160 Ų160103.4 Ų103.470%0.69653%0.532SS*.Hα-helixtrans-65.1-38.1176.2-75.9-168.5177.2-169.80112.9R483 L484 E485 S490 C491R483-K487 WeakPolarHBondContact O-CG 3.29Å; R483-K487 PolarHBondContact O-N 2.99Å; R483-K487 VanDerWaalsContact O-N 3.09Å; L484-K487 PolarHBondContact O-N 3.07Å; E485-K487 PolarHBondContact O-N 2.8Å; K487-S490 PolarHBondContact O-N 2.79Å; K487-C491 WeakPolarHBondContact O-CB 3.21Å; K487-C491 PolarHBondContact O-N 2.9Å
488M84.5Confident86.2Confident122 Ų122104 Ų10460%0.60153%0.532SS*.Hα-helixtrans-65-43.5176.8-172.7165.267.700111.1L484 E485 C491 L492L484-M488 WeakPolarHBondContact O-CB 3.26Å; L484-M488 PolarHBondContact O-N 3.41Å; E485-M488 PolarHBondContact O-N 3.02Å; M488-C491 PolarHBondContact O-N 2.82Å; M488-L492 WeakPolarHBondContact O-CB 3.47Å; M488-L492 PolarHBondContact O-N 3.1Å
489N87Confident86.9Confident106 Ų106101.9 Ų101.957%0.56753%0.525SS*.Hα-helixtrans-64.2-41.9174.5-75.2-33.2000112.2E485 Q486 L492 W493E485-N489 WeakPolarHBondContact O-CB 3.14Å; E485-N489 PolarHBondContact O-N 3.07Å; E485-N489 PolarHBondContact O-ND2 3.2Å; Q486-N489 PolarHBondContact O-N 3.23Å; N489-L492 PolarHBondContact O-N 3.39Å; N489-W493 WeakPolarHBondContact O-CB 3.33Å; N489-W493 PolarHBondContact O-N 3.3Å
490S87.1Confident87.7Confident71 Ų71101.6 Ų101.650%0.49753%0.526SS..Hα-helixtrans-61.9-42.4172.9-640000112.2Q486 K487 W493 V494Q486-S490 PolarHBondContact O-N 2.97Å; Q486-S490 PolarHBondContact O-OG 2.92Å; K487-S490 PolarHBondContact O-N 2.79Å; S490-W493 PolarHBondContact O-N 2.82Å; S490-V494 WeakPolarHBondContact O-CG2 3.45Å; S490-V494 PolarHBondContact O-N 2.95Å
491C84.1Confident88.4Confident83 Ų83102.5 Ų102.556%0.56153%0.525SS*.Hα-helixtrans-63.1-45.1176.8-172.90000111.6K487 M488 W493 V494 Q495K487-C491 WeakPolarHBondContact O-CB 3.21Å; K487-C491 PolarHBondContact O-N 2.9Å; M488-C491 PolarHBondContact O-N 2.82Å; C491-W493 VanDerWaalsContact C-N 3.3Å; C491-W493 PolarHBondContact O-N 3.44Å; C491-V494 PolarHBondContact O-N 3.19Å; C491-Q495 WeakPolarHBondContact O-CB 3.16Å; C491-Q495 PolarHBondContact O-N 2.61Å
492L89.2Confident89.1Confident81 Ų81102.5 Ų102.542%0.42453%0.528SS..Hα-helixtrans-67-30.6178.3-163.6136.8000112.4M488 N489 K496M488-L492 WeakPolarHBondContact O-CB 3.47Å; M488-L492 PolarHBondContact O-N 3.1Å; N489-L492 PolarHBondContact O-N 3.39Å; L492-K496 HydrophobicContact CD2-CD 4.22Å; L492-K496 WeakPolarHBondContact O-CG 3.37Å; L492-K496 PolarHBondContact O-N 3.37Å; L492-K496 VanDerWaalsContact O-N 3.14Å
493W93.7Very high89.7Confident173 Ų173104.3 Ų104.366%0.65553%0.531SS*.Hα-helixtrans-69.5-48.2171-171.888.8000111.9N489 S490 C491 Q495 K496 V497N489-W493 WeakPolarHBondContact O-CB 3.33Å; N489-W493 PolarHBondContact O-N 3.3Å; S490-W493 PolarHBondContact O-N 2.82Å; C491-W493 VanDerWaalsContact C-N 3.3Å; C491-W493 PolarHBondContact O-N 3.44Å; W493-Q495 VanDerWaalsContact C-N 3.3Å; W493-Q495 PolarHBondContact O-N 2.79Å; W493-K496 WeakPolarHBondContact O-CB 3.38Å; W493-K496 PolarHBondContact O-N 3.42Å; W493-K496 VanDerWaalsContact O-N 3.15Å; W493-V497 HydrophobicContact CD2-CG2 4.11Å; W493-V497 HydrophobicContact CE3-CG2 4.01Å; W493-V497 HydrophobicContact CH2-CG2 3.9Å; W493-V497 HydrophobicContact CZ2-CG2 3.98Å; W493-V497 HydrophobicContact CZ3-CG2 3.91Å; W493-V497 WeakPolarHBondContact O-CG2 3.41Å; W493-V497 PolarHBondContact O-N 2.81Å
494V91.4Very high90.3Very high73 Ų73100.7 Ų100.744%0.44253%0.527SS..Hα-helixtrans-59.2-41.7175.2170.30000111.1S490 C491 K496 V497 L498S490-V494 WeakPolarHBondContact O-CG2 3.45Å; S490-V494 PolarHBondContact O-N 2.95Å; C491-V494 PolarHBondContact O-N 3.19Å; V494-K496 PolarHBondContact O-N 2.93Å; V494-V497 PolarHBondContact O-N 2.73Å; V494-L498 HydrophobicContact CG1-CD1 3.92Å; V494-L498 HydrophobicContact CG1-CG 4.36Å; V494-L498 WeakPolarHBondContact O-CG 3.35Å; V494-L498 PolarHBondContact O-N 2.83Å
495Q92.3Very high91.1Very high120 Ų120100.3 Ų100.356%0.56153%0.525SS*.Hα-helixtrans-59.4-45.1175.2-175.7-178.9-10.900111.7C491 W493 V497 L498 T499C491-Q495 WeakPolarHBondContact O-CB 3.16Å; C491-Q495 PolarHBondContact O-N 2.61Å; W493-Q495 VanDerWaalsContact C-N 3.3Å; W493-Q495 PolarHBondContact O-N 2.79Å; Q495-V497 PolarHBondContact O-N 3.04Å; Q495-L498 PolarHBondContact O-N 3.46Å; Q495-T499 PolarHBondContact O-N 3.48Å; Q495-T499 PolarHBondContact O-OG1 2.9Å
496K92.9Very high91.6Very high146 Ų146100.3 Ų100.364%0.63553%0.527SS*.Hα-helixtrans-61.2-42.6175.4-76.9174.3176.3178.60112.4L492 W493 V494 T499 G500L492-K496 HydrophobicContact CD2-CD 4.22Å; L492-K496 WeakPolarHBondContact O-CG 3.37Å; L492-K496 PolarHBondContact O-N 3.37Å; L492-K496 VanDerWaalsContact O-N 3.14Å; W493-K496 WeakPolarHBondContact O-CB 3.38Å; W493-K496 PolarHBondContact O-N 3.42Å; W493-K496 VanDerWaalsContact O-N 3.15Å; V494-K496 PolarHBondContact O-N 2.93Å; K496-T499 PolarHBondContact O-N 3.44Å; K496-G500 PolarHBondContact O-N 2.81Å
497V95.3Very high92Very high61 Ų6197 Ų9737%0.3752%0.522SS..Hα-helixtrans-62.8-46.7176.4172.90000111.1W493 V494 Q495 T499 G500 L501W493-V497 HydrophobicContact CD2-CG2 4.11Å; W493-V497 HydrophobicContact CE3-CG2 4.01Å; W493-V497 HydrophobicContact CH2-CG2 3.9Å; W493-V497 HydrophobicContact CZ2-CG2 3.98Å; W493-V497 HydrophobicContact CZ3-CG2 3.91Å; W493-V497 WeakPolarHBondContact O-CG2 3.41Å; W493-V497 PolarHBondContact O-N 2.81Å; V494-V497 PolarHBondContact O-N 2.73Å; Q495-V497 PolarHBondContact O-N 3.04Å; V497-T499 PolarHBondContact O-N 2.93Å; V497-G500 PolarHBondContact O-N 2.97Å; V497-L501 HydrophobicContact CG1-CD1 4.21Å; V497-L501 WeakPolarHBondContact O-CG 3.5Å; V497-L501 PolarHBondContact O-N 3.31Å
498L94Very high92.6Very high101 Ų10193.7 Ų93.753%0.52951%0.511SS..Hα-helixtrans-61.8-42.9176.6-72.3170.4000112.2V494 Q495 G500 L501 V502V494-L498 HydrophobicContact CG1-CD1 3.92Å; V494-L498 HydrophobicContact CG1-CG 4.36Å; V494-L498 WeakPolarHBondContact O-CG 3.35Å; V494-L498 PolarHBondContact O-N 2.83Å; Q495-L498 PolarHBondContact O-N 3.46Å; L498-G500 VanDerWaalsContact C-N 3.32Å; L498-G500 PolarHBondContact O-N 3.28Å; L498-L501 PolarHBondContact O-N 3.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.48Å; L498-V502 PolarHBondContact O-N 3.02Å
499T94.4Very high92.9Very high76 Ų7692.5 Ų92.547%0.46651%0.507SS..Hα-helixtrans-61.1-41.5174.8-56.90000111.3Q495 K496 V497 V502 L503Q495-T499 PolarHBondContact O-N 3.48Å; Q495-T499 PolarHBondContact O-OG1 2.9Å; K496-T499 PolarHBondContact O-N 3.44Å; V497-T499 PolarHBondContact O-N 2.93Å; T499-V502 PolarHBondContact O-N 2.94Å; T499-L503 HydrophobicContact CG2-CD1 4.39Å; T499-L503 WeakPolarHBondContact O-CG 3.5Å; T499-L503 PolarHBondContact O-N 3.47Å
500G95.5Very high93.3Very high33 Ų3393 Ų9334%0.3451%0.51SS..Hα-helixtrans-60.7-45.6174.400000113.1K496 V497 L498 V502 L503 V504K496-G500 PolarHBondContact O-N 2.81Å; V497-G500 PolarHBondContact O-N 2.97Å; L498-G500 VanDerWaalsContact C-N 3.32Å; L498-G500 PolarHBondContact O-N 3.28Å; G500-V502 PolarHBondContact O-N 2.71Å; G500-L503 PolarHBondContact O-N 2.96Å; G500-V504 WeakPolarHBondContact O-CG2 3.39Å; G500-V504 PolarHBondContact O-N 3.36Å
501L95.6Very high93.6Very high100 Ų10094.1 Ų94.152%0.52451%0.509SS..Hα-helixtrans-61.7-41.6176.8-71.5169.5000112.3V497 L498 L503 V504 L505V497-L501 HydrophobicContact CG1-CD1 4.21Å; V497-L501 WeakPolarHBondContact O-CG 3.5Å; V497-L501 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 3.25Å; L501-L503 PolarHBondContact O-N 2.76Å; L501-V504 PolarHBondContact O-N 3.32Å; L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 2.79Å
502V95.7Very high94Very high81 Ų8193.6 Ų93.649%0.49151%0.506SS..Hα-helixtrans-62.6-41.6175.6170.70000111.5L498 T499 G500 L505 L506L498-V502 WeakPolarHBondContact O-CG2 3.48Å; L498-V502 PolarHBondContact O-N 3.02Å; T499-V502 PolarHBondContact O-N 2.94Å; G500-V502 PolarHBondContact O-N 2.71Å; V502-L505 PolarHBondContact O-N 2.98Å; V502-L506 HydrophobicContact CG1-CD1 4.01Å; V502-L506 WeakPolarHBondContact O-CB 3.48Å; V502-L506 WeakPolarHBondContact O-CG 3.26Å; V502-L506 PolarHBondContact O-N 2.98Å
503L95.2Very high94.1Very high109 Ų10995 Ų9557%0.57151%0.513SS*.Hα-helixtrans-64.6-39.4176.2-70.4171000112.5T499 G500 L501 L506 A507T499-L503 HydrophobicContact CG2-CD1 4.39Å; T499-L503 WeakPolarHBondContact O-CG 3.5Å; T499-L503 PolarHBondContact O-N 3.47Å; G500-L503 PolarHBondContact O-N 2.96Å; L501-L503 PolarHBondContact O-N 2.76Å; L503-L506 PolarHBondContact O-N 3.35Å; L503-A507 WeakPolarHBondContact O-CB 3.46Å; L503-A507 PolarHBondContact O-N 3.06Å
504V96.4Very high94Very high83 Ų8394.2 Ų94.250%0.50351%0.511SS..Hα-helixtrans-64.2-44.9174.11720000111G500 L501 L506 A507 L508G500-V504 WeakPolarHBondContact O-CG2 3.39Å; G500-V504 PolarHBondContact O-N 3.36Å; L501-V504 PolarHBondContact O-N 3.32Å; V504-L506 VanDerWaalsContact C-N 3.34Å; V504-L506 PolarHBondContact O-N 3.4Å; V504-A507 PolarHBondContact O-N 3.34Å; V504-L508 HydrophobicContact CG1-CD1 3.99Å; V504-L508 HydrophobicContact CG1-CG 4.43Å; V504-L508 WeakPolarHBondContact O-CG 3.31Å; V504-L508 PolarHBondContact O-N 3.19Å
505L94.6Very high94Very high104 Ų10495.5 Ų95.555%0.54552%0.515SS..Hα-helixtrans-62.6-39.1176.8-72.4169.8000112.2L501 V502 L508 N509L501-L505 WeakPolarHBondContact O-CG 3.48Å; L501-L505 PolarHBondContact O-N 2.79Å; V502-L505 PolarHBondContact O-N 2.98Å; L505-L508 PolarHBondContact O-N 2.74Å; L505-N509 WeakPolarHBondContact O-CB 3.46Å; L505-N509 PolarHBondContact O-N 2.91Å; L505-N509 PolarHBondContact O-ND2 2.94Å
506L94.9Very high93.7Very high96 Ų9696.1 Ų96.150%0.50352%0.521SS..Hα-helixtrans-63.5-45.4173.8-76.5166.9000111.7V502 L503 V504 L508 N509 L510V502-L506 HydrophobicContact CG1-CD1 4.01Å; V502-L506 WeakPolarHBondContact O-CB 3.48Å; V502-L506 WeakPolarHBondContact O-CG 3.26Å; V502-L506 PolarHBondContact O-N 2.98Å; L503-L506 PolarHBondContact O-N 3.35Å; V504-L506 VanDerWaalsContact C-N 3.34Å; V504-L506 PolarHBondContact O-N 3.4Å; L506-L508 PolarHBondContact O-N 2.9Å; L506-N509 PolarHBondContact O-N 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.84Å
507A94.9Very high93.1Very high59 Ų5992.3 Ų92.349%0.48852%0.524SS..Hα-helixtrans-62.2-41.1177.100000112.3L503 V504 L510 L511L503-A507 WeakPolarHBondContact O-CB 3.46Å; L503-A507 PolarHBondContact O-N 3.06Å; V504-A507 PolarHBondContact O-N 3.34Å; A507-L510 PolarHBondContact O-N 3.06Å; A507-L511 WeakPolarHBondContact O-CB 3.28Å; A507-L511 PolarHBondContact O-N 3.09Å
508L95.4Very high92.4Very high89 Ų8993.5 Ų93.547%0.46653%0.531SS..Hα-helixtrans-64.9-42.6175.1-71.1171.1000112.1V504 L505 L506 L511 C512V504-L508 HydrophobicContact CG1-CD1 3.99Å; V504-L508 HydrophobicContact CG1-CG 4.43Å; V504-L508 WeakPolarHBondContact O-CG 3.31Å; V504-L508 PolarHBondContact O-N 3.19Å; L505-L508 PolarHBondContact O-N 2.74Å; L506-L508 PolarHBondContact O-N 2.9Å; L508-L511 PolarHBondContact O-N 3.39Å; L508-C512 PolarHBondContact O-N 2.89Å; L508-C512 PolarHBondContact O-SG 3.47Å; L508-C512 VanDerWaalsContact O-SG 3.36Å
509N92.6Very high90.8Very high97 Ų9795.5 Ų95.552%0.51956%0.562SS.*Hα-helixtrans-62.3-44175.2-85.7-87000111.8L505 L506 L511 C512 L513L505-N509 WeakPolarHBondContact O-CB 3.46Å; L505-N509 PolarHBondContact O-N 2.91Å; L505-N509 PolarHBondContact O-ND2 2.94Å; L506-N509 PolarHBondContact O-N 3.32Å; N509-L511 VanDerWaalsContact C-N 3.33Å; N509-L511 PolarHBondContact O-N 2.81Å; N509-C512 PolarHBondContact O-N 2.74Å; N509-L513 WeakPolarHBondContact O-CB 3.4Å; N509-L513 VanDerWaalsContact O-CG 3.31Å; N509-L513 WeakPolarHBondContact O-CG 3.31Å; N509-L513 PolarHBondContact O-N 3.44Å
510L93.9Very high90.6Very high118 Ų11896.5 Ų96.562%0.61857%0.567SS**Hα-helixtrans-62.8-38.4175.7-71.1169.8000112.1L506 A507 L513 Y514L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.84Å; A507-L510 PolarHBondContact O-N 3.06Å; L510-L513 PolarHBondContact O-N 3.36Å; L510-Y514 WeakPolarHBondContact O-CB 3.36Å; L510-Y514 PolarHBondContact O-N 3.47Å
511L93.9Very high90.4Very high93 Ų9399.8 Ų99.849%0.48758%0.579SS.*Hα-helixtrans-66-43.3174.8-17763.6000111.9A507 L508 N509 Y514 L515A507-L511 WeakPolarHBondContact O-CB 3.28Å; A507-L511 PolarHBondContact O-N 3.09Å; L508-L511 PolarHBondContact O-N 3.39Å; N509-L511 VanDerWaalsContact C-N 3.33Å; N509-L511 PolarHBondContact O-N 2.81Å; L511-Y514 PolarHBondContact O-N 3.18Å; L511-L515 HydrophobicContact CD1-CD1 4.44Å; L511-L515 HydrophobicContact CG-CD1 4.19Å; L511-L515 WeakPolarHBondContact O-CB 3.5Å; L511-L515 VanDerWaalsContact O-CG 3.31Å; L511-L515 WeakPolarHBondContact O-CG 3.31Å; L511-L515 PolarHBondContact O-N 3.2Å
512C92.8Very high90.1Very high72 Ų7299.8 Ų99.849%0.48658%0.582SS.*Hα-helixtrans-62.2-43.8174.6-71.30000111.9L508 N509 L515 L516L508-C512 PolarHBondContact O-N 2.89Å; L508-C512 PolarHBondContact O-SG 3.47Å; L508-C512 VanDerWaalsContact O-SG 3.36Å; N509-C512 PolarHBondContact O-N 2.74Å; C512-L515 PolarHBondContact O-N 3.03Å; C512-L516 WeakPolarHBondContact O-CB 3.32Å; C512-L516 WeakPolarHBondContact O-CD1 3.49Å; C512-L516 WeakPolarHBondContact O-CG 3.35Å; C512-L516 PolarHBondContact O-N 3.41Å
513L91.4Very high89.7Confident112 Ų112100.9 Ų100.959%0.58659%0.587SS**Hα-helixtrans-63.9-39.4176-72.6170.8000112.2N509 L510 G517N509-L513 WeakPolarHBondContact O-CB 3.4Å; N509-L513 VanDerWaalsContact O-CG 3.31Å; N509-L513 WeakPolarHBondContact O-CG 3.31Å; N509-L513 PolarHBondContact O-N 3.44Å; L510-L513 PolarHBondContact O-N 3.36Å; L513-G517 PolarHBondContact O-N 3.3Å
514Y91.8Very high89.4Confident156 Ų156100.4 Ų100.461%0.61259%0.588SS**Hα-helixtrans-62.4-50.7174.3177.5-95.2000111.2L510 L511 L516 G517 T518L510-Y514 WeakPolarHBondContact O-CB 3.36Å; L510-Y514 PolarHBondContact O-N 3.47Å; L511-Y514 PolarHBondContact O-N 3.18Å; Y514-L516 VanDerWaalsContact C-N 3.33Å; Y514-L516 PolarHBondContact O-N 3.25Å; Y514-G517 CarbonylContact O-C 3.59Å; Y514-G517 PolarHBondContact O-N 3.18Å; Y514-T518 HydrophobicContact CD2-CG2 4.48Å; Y514-T518 HydrophobicContact CE1-CG2 4.1Å; Y514-T518 HydrophobicContact CE2-CG2 4.08Å; Y514-T518 WeakPolarHBondContact O-CG2 3.49Å; Y514-T518 PolarHBondContact O-N 3Å; Y514-T518 VanDerWaalsContact O-N 3.09Å; Y514-T518 PolarHBondContact O-OG1 3.09Å; Y514-T518 VanDerWaalsContact O-OG1 3.14Å
515L90.1Very high88.9Confident99 Ų99101.5 Ų101.552%0.51859%0.594SS.*Hα-helixtrans-60.1-41.9179.1-70.6169.6000112.1L511 C512 G517 T518 A519L511-L515 HydrophobicContact CD1-CD1 4.44Å; L511-L515 HydrophobicContact CG-CD1 4.19Å; L511-L515 WeakPolarHBondContact O-CB 3.5Å; L511-L515 VanDerWaalsContact O-CG 3.31Å; L511-L515 WeakPolarHBondContact O-CG 3.31Å; L511-L515 PolarHBondContact O-N 3.2Å; C512-L515 PolarHBondContact O-N 3.03Å; L515-G517 VanDerWaalsContact C-N 3.29Å; L515-G517 PolarHBondContact O-N 3.14Å; L515-T518 PolarHBondContact O-N 3.44Å; L515-T518 PolarHBondContact O-OG1 2.95Å; L515-A519 WeakPolarHBondContact O-CB 3.49Å; L515-A519 PolarHBondContact O-N 3.39Å
516L86.3Confident88.5Confident133 Ų133101.4 Ų101.470%0.69660%0.598SS**Hα-helixtrans-66.9-24.7174.3-77.2165.1000113.9C512 Y514C512-L516 WeakPolarHBondContact O-CB 3.32Å; C512-L516 WeakPolarHBondContact O-CD1 3.49Å; C512-L516 WeakPolarHBondContact O-CG 3.35Å; C512-L516 PolarHBondContact O-N 3.41Å; Y514-L516 VanDerWaalsContact C-N 3.33Å; Y514-L516 PolarHBondContact O-N 3.25Å
517G79.8Confident88Confident66 Ų66101.8 Ų101.868%0.6861%0.605SS**Hα-helixtrans-88.5-9175.800000114.4L513 Y514 L515L513-G517 PolarHBondContact O-N 3.3Å; Y514-G517 CarbonylContact O-C 3.59Å; Y514-G517 PolarHBondContact O-N 3.18Å; L515-G517 VanDerWaalsContact C-N 3.29Å; L515-G517 PolarHBondContact O-N 3.14Å
518T81.3Confident87.5Confident87 Ų87105.3 Ų105.353%0.53462%0.615SS.*  trans-112.60.8179.256.90000114.1Y514 L515Y514-T518 HydrophobicContact CD2-CG2 4.48Å; Y514-T518 HydrophobicContact CE1-CG2 4.1Å; Y514-T518 HydrophobicContact CE2-CG2 4.08Å; Y514-T518 WeakPolarHBondContact O-CG2 3.49Å; Y514-T518 PolarHBondContact O-N 3Å; Y514-T518 VanDerWaalsContact O-N 3.09Å; Y514-T518 PolarHBondContact O-OG1 3.09Å; Y514-T518 VanDerWaalsContact O-OG1 3.14Å; L515-T518 PolarHBondContact O-N 3.44Å; L515-T518 PolarHBondContact O-OG1 2.95Å
519A60.3Low86.7Confident142 Ų142106.8 Ų106.8100%1.17463%0.628SS**  trans-103.5017500000110.7L515L515-A519 WeakPolarHBondContact O-CB 3.49Å; L515-A519 PolarHBondContact O-N 3.39Å

Retrieved 519 of 519 residues in 841.4 ms (Link to these results)

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