A0A075T8J6_MAIZE Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A075T8J6, Species MAIZE (Zea mays, Maize), Gene PP2C9, Length 410 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
1M50.8Low45.4Very low241 Ų241144.6 Ų144.6100%1.18784%0.838SS**  0118.10-81178.7160.700107.4
2S45.3Very low44.5Very low118 Ų118138.3 Ų138.383%0.82583%0.827SS**  trans33.799168.863.40000120
3S40.1Very low44.6Very low115 Ų115138.2 Ų138.280%0.80483%0.827SS**  trans-46.4152139.228.50000114.9
4S49.9Very low44.4Very low118 Ų118135.9 Ų135.983%0.82582%0.817SS**  -172.3110.3129.656.20000111.1
5E43.3Very low43.8Very low199 Ų199133.4 Ų133.493%0.9382%0.817SS**  trans-64.5150.5159-66.6164.511400110.5
6A48.5Very low43.7Very low106 Ų106135.6 Ų135.688%0.87682%0.821SS**  trans-142.4108.3158.300000109.2
7S43.7Very low43.2Very low113 Ų113138.2 Ų138.279%0.7982%0.822SS**  trans-87.1133.5169.8134.30000109
8T46.1Very low42.9Very low113 Ų113135.9 Ų135.969%0.69382%0.821SS**  trans176.5143.8154.6320000106.8
9Q44.9Very low42.6Very low153 Ų153138 Ų13872%0.71582%0.821SS**  cis-165.4139.90.3-118162.2-16.100105.4H11Q9-H11 PolarHBondContact O-N 3.37Å
10D40.1Very low42.1Very low153 Ų153138.5 Ų138.582%0.81882%0.819SS**  trans-60.9122169.8-174.416.5000110.1
11H46.4Very low41.9Very low162 Ų162136.5 Ų136.575%0.7581%0.813SS**  trans-121.6100.5168.5-80.9-45.9000108.5Q9 V13Q9-H11 PolarHBondContact O-N 3.37Å; H11-V13 PolarHBondContact O-N 3.09Å
12G35Very low41Very low69 Ų69130.5 Ų130.571%0.71179%0.79SS**PPolyproline II helixtrans-51.6129.2173.700000112.1
13V45.2Very low40.6Very low136 Ų136131 Ų13182%0.82478%0.783SS**PPolyproline II helixtrans-81.1124.7163.5-176.90000106.7H11 A15H11-V13 PolarHBondContact O-N 3.09Å; V13-A15 PolarHBondContact O-N 3.45Å
14P42.2Very low40.3Very low107 Ų107132.3 Ų132.370%0.69578%0.781SS**PPolyproline II helixtrans-67.3135.4-177.628.1-33000109.9L16P14-L16 PolarHBondContact O-N 3.11Å
15A36.1Very low39.8Very low98 Ų98134.5 Ų134.581%0.8178%0.778SS**  trans-54.8110.9166.400000108.7V13 E17V13-A15 PolarHBondContact O-N 3.45Å; A15-E17 PolarHBondContact O-N 3.19Å
16L41.6Very low39.3Very low169 Ų169127.4 Ų127.489%0.88576%0.758SS**  trans-73.3107.1165.9-79.6165.5000106.7P14 A18P14-L16 PolarHBondContact O-N 3.11Å; L16-A18 PolarHBondContact O-N 2.87Å
17E35.8Very low38.7Very low179 Ų179128.4 Ų128.484%0.83675%0.753SS**  trans-48109.1165.4-73.3176.2140.600108.7A15 Q19A15-E17 PolarHBondContact O-N 3.19Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.17Å
18A38.1Very low38.2Very low97 Ų97128.2 Ų128.280%0.80275%0.749SS**  trans-64.699.8165.900000106.9L16 D20L16-A18 PolarHBondContact O-N 2.87Å; A18-D20 PolarHBondContact O-N 3.18Å
19Q37.1Very low37.9Very low176 Ų176127.3 Ų127.382%0.82275%0.753SS**  trans-65.6104.6164.7-72.6-171.6-29.100107.3E17 S21E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.1Å
20D32.2Very low38Very low147 Ų147124.4 Ų124.479%0.78674%0.742SS**  trans-59.387.7168.9-166.616.2000108.9A18A18-D20 PolarHBondContact O-N 3.18Å
21S38.7Very low38.3Very low98 Ų98125.7 Ų125.769%0.68574%0.743SS**  trans-101.592.2165.866.10000107.8Q19 D23Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.1Å; S21-D23 PolarHBondContact O-N 3.22Å
22T31.8Very low38.3Very low114 Ų114121.1 Ų121.170%0.69973%0.733SS**  trans-64.879.7166.954.70000110
23D36.3Very low39Very low129 Ų129119 Ų11969%0.6971%0.707SS**  trans-99.580160.8-81.7-28.9000108.2S21 H25S21-D23 PolarHBondContact O-N 3.22Å; D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact O-N 3.37Å
24D34.3Very low39.7Very low143 Ų143116.2 Ų116.277%0.76569%0.69SS**  trans-6190.8164178.321.2000108.8G26D24-G26 VanDerWaalsContact C-N 3.33Å; D24-G26 PolarHBondContact OD1-N 2.99Å
25H38.9Very low40.5Very low164 Ų164115.3 Ų115.376%0.75969%0.685SS**  trans-100.959.3159.6-69.2-28.7000108.8D23 V27D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact O-N 3.37Å; H25-V27 PolarHBondContact O-N 2.67Å; H25-V27 VanDerWaalsContact O-N 3.15Å
26G31.7Very low42Very low49 Ų49116.7 Ų116.751%0.50567%0.674SS.*PPolyproline II helixtrans-48119.9154.700000108.9D24 P28D24-G26 VanDerWaalsContact C-N 3.33Å; D24-G26 PolarHBondContact OD1-N 2.99Å; G26-P28 WeakPolarHBondContact O-CD 3.42Å
27V37.1Very low42.9Very low128 Ų128110.2 Ų110.278%0.77665%0.645SS**PPolyproline II helixtrans-51.3117169.8179.90000105.9H25 A29H25-V27 PolarHBondContact O-N 2.67Å; H25-V27 VanDerWaalsContact O-N 3.15Å; V27-A29 PolarHBondContact O-N 3.44Å
28P33.2Very low44.2Very low108 Ų108101.7 Ų101.770%0.70161%0.605SS**PPolyproline II helixtrans-58.7124.8-179.322.5-30.6000106.8G26 L30G26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-L30 PolarHBondContact O-N 2.99Å
29A39.2Very low45.8Very low94 Ų9499 Ų9978%0.77758%0.578SS**  trans-49.1111.8171.300000106.8V27 E31V27-A29 PolarHBondContact O-N 3.44Å; A29-E31 PolarHBondContact O-N 3.42Å
30L47.7Very low47.4Very low93 Ų9397.5 Ų97.549%0.48757%0.568SS.*  trans-57.7102.2178.8-96.5124.5000107.1P28 A32P28-L30 PolarHBondContact O-N 2.99Å; L30-A32 PolarHBondContact O-N 3.5Å
31E45.3Very low49Very low179 Ų17991.9 Ų91.984%0.83654%0.539SS*.PPolyproline II helixtrans-49.4131.7177.8-79.6-171.6155.400109.2A29 P33A29-E31 PolarHBondContact O-N 3.42Å; E31-P33 WeakPolarHBondContact O-CD 3.49Å
32A46.8Very low50.4Low66 Ų6687.4 Ų87.455%0.54551%0.508SS..PPolyproline II helixtrans-52.7119.818000000109.1L30 T34L30-A32 PolarHBondContact O-N 3.5Å; A32-T34 PolarHBondContact O-N 3.14Å
33P50.1Low52.5Low25 Ų2583.2 Ų83.216%0.16248%0.484CS..PPolyproline II helixtrans-64.5131.9-173.621.5-30.3000110.4E31 A37 V343 K346E31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-A37 HydrophobicContact CB-CB 3.69Å; P33-V343 HydrophobicContact CG-CB 3.96Å; P33-V343 HydrophobicContact CG-CG1 3.73Å; P33-V343 HydrophobicContact CG-CG2 3.23Å; P33-K346 PolarHBondContact O-NZ 3.04Å
34T59.1Low54.2Low77 Ų7779.7 Ų79.747%0.47247%0.473SS..PPolyproline II helixtrans-52.6152171.963.60000110.3A32 E36 A37 T38 K346A32-T34 PolarHBondContact O-N 3.14Å; T34-E36 PolarHBondContact O-N 3.2Å; T34-A37 PolarHBondContact O-N 3.11Å; T34-A37 PolarHBondContact OG1-N 2.82Å; T34-T38 PolarHBondContact O-N 2.97Å; T34-K346 VanDerWaalsContact C-NZ 3.34Å; T34-K346 PolarHBondContact O-NZ 3.22Å
35P60.6Low55.8Low89 Ų8974 Ų7458%0.57844%0.443SS*.Hα-helixtrans-41.3-38167.9-30.937.5000113.6D39 K346P35-D39 WeakPolarHBondContact O-CB 3.29Å; P35-D39 PolarHBondContact O-N 3.37Å; P35-D39 VanDerWaalsContact O-N 3.07Å; P35-K346 VanDerWaalsContact N-NZ 3.16Å
36E66.3Low57.2Low127 Ų12767.2 Ų67.259%0.59342%0.415SS*.Hα-helixtrans-66.2-39.6177.8-60177.5174.200113.6T34 D39 K40T34-E36 PolarHBondContact O-N 3.2Å; E36-D39 PolarHBondContact O-N 2.75Å; E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.83Å
37A61.9Low59.1Low32 Ų3274 Ų7426%0.26443%0.425SS..Hα-helixtrans-65.9-42178.800000111.7P33 T34 K40 V41P33-A37 HydrophobicContact CB-CB 3.69Å; T34-A37 PolarHBondContact O-N 3.11Å; T34-A37 PolarHBondContact OG1-N 2.82Å; A37-K40 PolarHBondContact O-N 3.25Å; A37-V41 PolarHBondContact O-N 3.13Å
38T61.9Low60.5Low1 Ų173.3 Ų73.31%0.00642%0.416CS..Hα-helixtrans-62.9-43.8173.8-44.80000111.5T34 K40 V41 L42 K346 V347 F379T34-T38 PolarHBondContact O-N 2.97Å; T38-K40 PolarHBondContact O-N 3.21Å; T38-V41 PolarHBondContact O-N 3.27Å; T38-L42 PolarHBondContact O-N 2.86Å; T38-L42 VanDerWaalsContact O-N 3.1Å; T38-K346 HydrophobicContact CG2-CD 4.5Å; T38-K346 WeakPolarHBondContact OG1-CE 3.4Å; T38-K346 PolarHBondContact OG1-NZ 2.94Å; T38-V347 HydrophobicContact CG2-CG2 3.69Å; T38-F379 HydrophobicContact CG2-CE2 4.23Å
39D71.5Confident61.9Low41 Ų4169.9 Ų69.922%0.21940%0.397CS..Hα-helixtrans-65.3-36177.3-84.3-23.8000112.9P35 E36 A43 K359 Y360P35-D39 WeakPolarHBondContact O-CB 3.29Å; P35-D39 PolarHBondContact O-N 3.37Å; P35-D39 VanDerWaalsContact O-N 3.07Å; E36-D39 PolarHBondContact O-N 2.75Å; D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.06Å; D39-K359 IonicContact OD1-NZ 2.66Å; D39-K359 PolarHBondContact OD1-NZ 3.26Å; D39-K359 IonicContact OD2-NZ 2.92Å; D39-K359 PolarHBondContact OD2-NZ 3.12Å; D39-Y360 PolarHBondContact O-OH 3.39Å
40K71.2Confident63.4Low144 Ų14473.8 Ų73.863%0.62639%0.392SS*.Hα-helixtrans-62.6-43.8176.1-80.8170-176.6173.90111.2E36 A37 T38 A43 A44E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.83Å; A37-K40 PolarHBondContact O-N 3.25Å; T38-K40 PolarHBondContact O-N 3.21Å; K40-A43 PolarHBondContact O-N 3.37Å; K40-A44 WeakPolarHBondContact O-CB 3.27Å; K40-A44 PolarHBondContact O-N 3.31Å
41V65.2Low64.4Low28 Ų2877 Ų7717%0.1740%0.397CS..Hα-helixtrans-68.7-46.9178.6178.90000110.9A37 T38 A43 A44 M45 F379 A382A37-V41 PolarHBondContact O-N 3.13Å; T38-V41 PolarHBondContact O-N 3.27Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.01Å; V41-A44 WeakPolarHBondContact O-CA 3.41Å; V41-A44 WeakPolarHBondContact O-CB 3.36Å; V41-A44 PolarHBondContact O-N 3.46Å; V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.26Å; V41-M45 WeakPolarHBondContact O-CG 3.32Å; V41-M45 PolarHBondContact O-N 3.35Å; V41-F379 HydrophobicContact CB-CD2 3.82Å; V41-F379 HydrophobicContact CB-CE2 3.31Å; V41-F379 HydrophobicContact CB-CZ 3.76Å; V41-F379 HydrophobicContact CG1-CD1 4.26Å; V41-F379 HydrophobicContact CG1-CD2 3.26Å; V41-F379 HydrophobicContact CG1-CE1 4.36Å; V41-F379 HydrophobicContact CG1-CE2 3.34Å; V41-F379 HydrophobicContact CG1-CG 3.76Å; V41-F379 HydrophobicContact CG1-CZ 3.91Å; V41-F379 HydrophobicContact CG2-CE1 4.41Å; V41-F379 HydrophobicContact CG2-CE2 3.9Å; V41-F379 HydrophobicContact CG2-CZ 3.77Å; V41-A382 HydrophobicContact CG1-CB 4.26Å
42L69.6Low65.2Low5 Ų577.1 Ų77.13%0.02639%0.39CS..Hα-helixtrans-59.4-37.9174.9-71.8172.1000112T38 M45 A46 Y360 V375T38-L42 PolarHBondContact O-N 2.86Å; T38-L42 VanDerWaalsContact O-N 3.1Å; L42-M45 HydrophobicContact CD2-SD 4.3Å; L42-M45 PolarHBondContact O-N 3.4Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.73Å; L42-Y360 HydrophobicContact CB-CD2 3.88Å; L42-Y360 HydrophobicContact CB-CE1 4.44Å; L42-Y360 HydrophobicContact CB-CE2 3.44Å; L42-Y360 VanDerWaalsContact CB-CE2 3.44Å; L42-Y360 HydrophobicContact CD1-CD2 4.35Å; L42-Y360 HydrophobicContact CD1-CE2 3.9Å; L42-Y360 HydrophobicContact CG-CE2 4.29Å; L42-V375 HydrophobicContact CD2-CG1 3.86Å
43A75.4Confident66Low26 Ų2679 Ų7922%0.21538%0.383CS..Hα-helixtrans-68.2-36.1173.700000112.9D39 K40 V41 A46 R47 Y360D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.06Å; K40-A43 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.01Å; A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 2.82Å; A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.39Å; A43-R47 PolarHBondContact O-N 2.77Å; A43-Y360 HydrophobicContact CB-CE1 3.89Å
44A71.5Confident66.9Low55 Ų5581.9 Ų81.946%0.45540%0.396SS..Hα-helixtrans-66.5-42.7174.600000111.2K40 V41 A46 R47 L48K40-A44 WeakPolarHBondContact O-CB 3.27Å; K40-A44 PolarHBondContact O-N 3.31Å; V41-A44 WeakPolarHBondContact O-CA 3.41Å; V41-A44 WeakPolarHBondContact O-CB 3.36Å; V41-A44 PolarHBondContact O-N 3.46Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.2Å; A44-R47 WeakPolarHBondContact O-CB 3.32Å; A44-R47 PolarHBondContact O-N 3.36Å; A44-R47 VanDerWaalsContact O-N 3.15Å; A44-L48 PolarHBondContact O-N 2.86Å
45M67.1Low67.1Low24 Ų2482.3 Ų82.312%0.11839%0.393CS..Hα-helixtrans-57.8-46.3171.3-67.7172.462.300110.8V41 L42 R47 L48 A49 T363 V375 E378V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.26Å; V41-M45 WeakPolarHBondContact O-CG 3.32Å; V41-M45 PolarHBondContact O-N 3.35Å; L42-M45 HydrophobicContact CD2-SD 4.3Å; L42-M45 PolarHBondContact O-N 3.4Å; M45-R47 VanDerWaalsContact C-N 3.29Å; M45-R47 PolarHBondContact O-N 2.99Å; M45-L48 PolarHBondContact O-N 3.48Å; M45-L48 VanDerWaalsContact O-N 3.12Å; M45-A49 PolarHBondContact O-N 2.96Å; M45-T363 WeakPolarHBondContact O-CG2 3.27Å; M45-V375 HydrophobicContact CE-CG1 4.49Å; M45-E378 HydrophobicContact CE-CB 3.31Å; M45-E378 HydrophobicContact CE-CG 4.15Å; M45-E378 HydrophobicContact SD-CB 4.32Å
46A68.2Low66.7Low21 Ų2182.2 Ų82.217%0.17439%0.387CS..Hα-helixtrans-56.5-41.1174.800000113L42 A43 A44 R50 Y360 T363L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.73Å; A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 2.82Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.2Å; A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.42Å; A46-Y360 HydrophobicContact CB-CD1 3.85Å; A46-T363 VanDerWaalsContact CA-CG2 3.4Å; A46-T363 HydrophobicContact CB-CG2 4.23Å
47R71.9Confident66.6Low192 Ų19285.1 Ų85.173%0.72539%0.393SS*.Hα-helixtrans-67.2-42.2175.2-69.8169.9-173.1-168.22.1112A43 A44 M45 R50 R51A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.39Å; A43-R47 PolarHBondContact O-N 2.77Å; A44-R47 WeakPolarHBondContact O-CB 3.32Å; A44-R47 PolarHBondContact O-N 3.36Å; A44-R47 VanDerWaalsContact O-N 3.15Å; M45-R47 VanDerWaalsContact C-N 3.29Å; M45-R47 PolarHBondContact O-N 2.99Å; R47-R50 PolarHBondContact O-N 3.46Å; R47-R51 WeakPolarHBondContact O-CB 3.45Å; R47-R51 PolarHBondContact O-N 3.31Å
48L68.1Low66.8Low112 Ų11294.3 Ų94.359%0.58642%0.421SS*.Hα-helixtrans-64.6-47.9179.6-165.684.7000111.3A44 M45 R50 R51 R52A44-L48 PolarHBondContact O-N 2.86Å; M45-L48 PolarHBondContact O-N 3.48Å; M45-L48 VanDerWaalsContact O-N 3.12Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 2.97Å; L48-R51 VanDerWaalsContact O-N 3.12Å; L48-R52 PolarHBondContact O-N 3.02Å
49A62.1Low66.6Low36 Ų36100.7 Ų100.730%0.29845%0.454SS..Hα-helixtrans-63.3-40.3177.100000111.9M45 R51 R52 R53 T363M45-A49 PolarHBondContact O-N 2.96Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.87Å; A49-R52 PolarHBondContact O-N 2.76Å; A49-R53 PolarHBondContact O-N 2.72Å; A49-T363 HydrophobicContact CB-CG2 3.26Å
50R69.5Low65.1Low177 Ų177101.7 Ų101.767%0.66847%0.474SS*.Hα-helixtrans-60-43.1172-177179.3175.2-170.3-1.1111.4A46 R47 L48 R53 L54A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.42Å; R47-R50 PolarHBondContact O-N 3.46Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å; R50-R53 PolarHBondContact O-N 2.89Å; R50-L54 HydrophobicContact CG-CD1 4.31Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.66Å
51R70.2Confident63.6Low161 Ų161104.8 Ų104.861%0.60848%0.482SS*.Hα-helixtrans-61.9-48.5176.8-170.5-175.5-175.5176.812.6111.2R47 L48 A49 R53 L54 E55R47-R51 WeakPolarHBondContact O-CB 3.45Å; R47-R51 PolarHBondContact O-N 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 2.97Å; L48-R51 VanDerWaalsContact O-N 3.12Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.87Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.46Å; R51-L54 PolarHBondContact O-N 3.34Å; R51-L54 VanDerWaalsContact O-N 3.1Å; R51-E55 IonicContact CZ-OE1 3.6Å; R51-E55 IonicContact NE-OE1 2.72Å; R51-E55 PolarHBondContact NE-OE1 2.69Å; R51-E55 VanDerWaalsContact NE-OE1 3.13Å; R51-E55 PolarHBondContact O-N 3.34Å
52R61.3Low62.2Low180 Ų180109.6 Ų109.668%0.67951%0.511SS*.Hα-helixtrans-58.3-41.8177.1-168.7175.7-180-175-0.1111.6L48 A49 E55 L56L48-R52 PolarHBondContact O-N 3.02Å; A49-R52 PolarHBondContact O-N 2.76Å; R52-E55 PolarHBondContact O-N 2.89Å; R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 3.46Å
53R63.9Low60.5Low106 Ų106113.5 Ų113.540%0.454%0.544SS..Hα-helixtrans-64.1-40.3175.2-168.1-174.5-76.2175.24.6112.4A49 R50 R51 R57 E362A49-R53 PolarHBondContact O-N 2.72Å; R50-R53 PolarHBondContact O-N 2.89Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.46Å; R53-R57 WeakPolarHBondContact O-CG 3.46Å; R53-R57 PolarHBondContact O-N 2.89Å; R53-E362 IonicContact CZ-OE2 3.02Å; R53-E362 IonicContact NH1-OE1 3.49Å; R53-E362 IonicContact NH1-OE2 2.68Å; R53-E362 PolarHBondContact NH1-OE2 3.39Å; R53-E362 IonicContact NH2-OE2 3.51Å; R53-E362 PolarHBondContact NH2-OE2 3.37Å
54L67.6Low58.5Low85 Ų85118.1 Ų118.145%0.44557%0.572SS.*Hα-helixtrans-67.7-37.4176.1-70.9171.3000112.2R50 R51 R57 R58R50-L54 HydrophobicContact CG-CD1 4.31Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.66Å; R51-L54 PolarHBondContact O-N 3.34Å; R51-L54 VanDerWaalsContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 3.16Å; L54-R58 PolarHBondContact O-N 3.12Å
55E63.7Low56.6Low86 Ų86122.8 Ų122.840%0.40259%0.594SS.*Hα-helixtrans-66-43.5174.5-75.7171.9-175.800111.6R51 R52 R57 R58 L59R51-E55 IonicContact CZ-OE1 3.6Å; R51-E55 IonicContact NE-OE1 2.72Å; R51-E55 PolarHBondContact NE-OE1 2.69Å; R51-E55 VanDerWaalsContact NE-OE1 3.13Å; R51-E55 PolarHBondContact O-N 3.34Å; R52-E55 PolarHBondContact O-N 2.89Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.16Å; E55-R58 PolarHBondContact O-N 3.47Å; E55-R58 VanDerWaalsContact O-N 3.14Å; E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 3.41Å
56L53Low54.8Low88 Ų88124.8 Ų124.846%0.46162%0.621SS.*Hα-helixtrans-59.7-40.4173.3-71.9169.6000112.2R52 L59R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.46Å
57R64.6Low53.1Low187 Ų187128.8 Ų128.871%0.70665%0.654SS**Hα-helixtrans-64.8-40.3173.3-77.8-178.2170-175.1-2.6112.6R53 L54 E55 L59 G60R53-R57 WeakPolarHBondContact O-CG 3.46Å; R53-R57 PolarHBondContact O-N 2.89Å; L54-R57 PolarHBondContact O-N 3.16Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.16Å; R57-L59 VanDerWaalsContact C-N 3.35Å; R57-G60 PolarHBondContact O-N 2.85Å
58R66.4Low51.1Low226 Ų226129.2 Ų129.285%0.85366%0.664SS**Hα-helixtrans-66.3-35.3175.9-81.6-176.9175.5-175.1-1.6112.7L54 E55 G60L54-R58 PolarHBondContact O-N 3.12Å; E55-R58 PolarHBondContact O-N 3.47Å; E55-R58 VanDerWaalsContact O-N 3.14Å; R58-G60 PolarHBondContact O-N 3.38Å
59L56.7Low49.4Very low135 Ų135127.3 Ų127.371%0.70767%0.672SS**THydrogen-bonded Turntrans-78.79.5178.9-71168000113.5E55 L56 R57 R61E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 3.41Å; L56-L59 PolarHBondContact O-N 3.46Å; R57-L59 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.4Å
60G40.6Very low47.9Very low61 Ų61134.3 Ų134.363%0.62970%0.699SS**THydrogen-bonded Turntrans65.411.4172.200000115.3R57 R58 T62R57-G60 PolarHBondContact O-N 2.85Å; R58-G60 PolarHBondContact O-N 3.38Å; G60-T62 PolarHBondContact O-N 3.21Å
61R39.8Very low46.2Very low210 Ų210132.3 Ų132.379%0.79271%0.706SS**  trans-89.184.3174.6-80.5-174.9170.1-168.2-2.3109.8L59 A63L59-R61 PolarHBondContact O-N 3.4Å; R61-A63 PolarHBondContact O-N 3.01Å
62T36.2Very low44.3Very low129 Ų129129 Ų12979%0.79171%0.713SS**  trans-70.8110.4159.851.40000108.2G60G60-T62 PolarHBondContact O-N 3.21Å
63A32Very low42.9Very low87 Ų87128.6 Ų128.672%0.71972%0.721SS**PPolyproline II helixtrans-63.7135.6158.700000107.5R61 V65R61-A63 PolarHBondContact O-N 3.01Å; A63-V65 PolarHBondContact O-N 2.94Å
64P35.2Very low41.1Very low122 Ų122135.4 Ų135.479%0.79275%0.746SS**PPolyproline II helixtrans-70.7125.2-173.928.3-31.4000109.9
65V31.2Very low39.5Very low153 Ų153136.3 Ų136.393%0.92776%0.755SS**PPolyproline II helixtrans-77.8118.1155.2174.20000105.8A63A63-V65 PolarHBondContact O-N 2.94Å
66G29.5Very low37.9Very low66 Ų66143.1 Ų143.168%0.6878%0.777SS**  trans137.2100.6165.900000115
67A31.9Very low37.1Very low105 Ų105144.6 Ų144.687%0.86879%0.792SS**  trans-152.1107.313600000107.1
68E30.6Very low35.7Very low201 Ų201142.3 Ų142.394%0.93980%0.799SS**  trans-72.1159171.4-60.9-171.3141.400111.2
69G30.6Very low34.1Very low73 Ų73137 Ų13775%0.75380%0.796SS**  trans109.6129172.200000111.6
70E32.3Very low33Very low183 Ų183134.3 Ų134.386%0.85580%0.801SS**  cis-170.115112-143.8179.5168.900107.6
71V34Very low32.7Very low135 Ų135137.7 Ų137.782%0.81881%0.81SS**  trans77.1108.2161.4-160.80000120.1
72A28.8Very low32.8Very low92 Ų92133.6 Ų133.676%0.7681%0.814SS**  trans-81.3150.4168.200000112.9
73M32.3Very low32.9Very low170 Ų170132.1 Ų132.184%0.83781%0.814SS**  trans-164.1111.1131.9-151.3163.6140.500111.2V75M73-V75 HydrophobicContact CE-CG2 3.38Å; M73-V75 HydrophobicContact CG-CG2 4.06Å
74R26.9Very low33.2Very low249 Ų249134.9 Ų134.994%0.9482%0.817SS**  trans-117109.7168.5-159.6178.9-167.9177.75.8107.2
75V32.5Very low33.3Very low104 Ų104134.7 Ų134.763%0.6381%0.814SS**  trans-94.6132.2179.8-179.20000110M73M73-V75 HydrophobicContact CE-CG2 3.38Å; M73-V75 HydrophobicContact CG-CG2 4.06Å
76R30.5Very low33.8Very low230 Ų230132.9 Ų132.987%0.86881%0.808SS**  trans-118.4145.5162.2-77.5-179.4160-169.6-4.6108
77P35.8Very low34.2Very low119 Ų119141.1 Ų141.177%0.77382%0.818SS**  trans-115.3117148.213.96.1000109.1
78V35.6Very low34.6Very low139 Ų139145.3 Ų145.384%0.84282%0.82SS**  73.2121.585.3-177.80000113.5
79S32.3Very low35.1Very low113 Ų113140.8 Ų140.879%0.7981%0.811SS**  trans-65.5145.5178.347.60000114.5
80G35.2Very low35.5Very low80 Ų80141.7 Ų141.783%0.82581%0.811SS**  trans-136.4114.316000000109.7
81T33.3Very low35.9Very low132 Ų132143 Ų14381%0.8181%0.813SS**  trans-78.3143.9172.642.90000111.1
82S41.4Very low36.1Very low124 Ų124143.7 Ų143.787%0.86782%0.818SS**  trans-172134.6132.1-76.60000110.4
83A38.3Very low37Very low97 Ų97143.4 Ų143.480%0.80282%0.815SS**  trans-78154.2175.700000111.2
84D38.3Very low37.4Very low145 Ų145141.4 Ų141.478%0.77582%0.815SS**  -169.5157.8104.1-136.8-29.1000112
85T38.3Very low37.9Very low119 Ų119138.3 Ų138.373%0.7381%0.811SS**  trans-53161.9-179.658.10000114.6
86S42.3Very low38.4Very low114 Ų114138.4 Ų138.480%0.79781%0.814SS**  cis-175.6165.246.245.90000111.7
87R38Very low38.8Very low240 Ų240136.8 Ų136.891%0.90682%0.816SS**  trans-36.5150.5174.2-72.1165.1159.9173.9-6.9117.4
88E38.9Very low39Very low193 Ų193140.1 Ų140.190%0.90282%0.821SS**  -176.616799.5-157.7154.6165.400112.2
89S41.6Very low38.9Very low106 Ų106136.4 Ų136.474%0.74181%0.811SS**  trans-95160.1-146.8-57.80000117
90A38.4Very low39.1Very low91 Ų91136.4 Ų136.475%0.75282%0.818SS**  trans64.8118.2138.300000120.6
91K41.2Very low39.3Very low210 Ų210137.3 Ų137.391%0.91381%0.812SS**  -169.5131.9109.8-101.5167-176.7-178.30111.4
92V38.5Very low40Very low151 Ų151135.2 Ų135.292%0.91581%0.807SS**  trans-71.2129.8170.7173.20000108.5
93A47.3Very low40.5Very low85 Ų85133.2 Ų133.270%0.70279%0.79SS**  trans-126.1144.2166.600000108.8
94P40.7Very low42Very low129 Ų129132.7 Ų132.784%0.83879%0.785SS**  trans-79.6152.7-176.128.3-21.7000112
95E38.5Very low43.9Very low184 Ų184127.8 Ų127.886%0.8677%0.769SS**  trans-39.7128.9-175.8-59.8-90.513300114.9
96P41.6Very low46.2Very low105 Ų105125.6 Ų125.668%0.68275%0.748SS**  trans-81128.6161.931.4-26.4000109.4E98P96-E98 PolarHBondContact O-N 2.88Å
97H39.1Very low48.3Very low196 Ų196124.4 Ų124.491%0.90774%0.737SS**  trans-55.1108.4161.5-80.4-95.7000108.7G99H97-G99 PolarHBondContact O-N 2.85Å
98E39.6Very low50.7Low189 Ų189118.6 Ų118.688%0.88372%0.719SS**  trans-68.597.5174.4-74.7-172.7157.200109.1P96P96-E98 PolarHBondContact O-N 2.88Å
99G34.4Very low53.2Low61 Ų61109.9 Ų109.963%0.62968%0.679SS**  trans-58148.3155.100000109.4H97 S101H97-G99 PolarHBondContact O-N 2.85Å; G99-S101 PolarHBondContact O-N 2.89Å
100A36Very low55.7Low114 Ų114107.5 Ų107.594%0.94266%0.66SS**  trans-56.679-177.700000112.6
101S39.1Very low58.4Low99 Ų99104.6 Ų104.669%0.69263%0.633SS**  trans-70.9133.4160.2-178.90000106.9G99 V103G99-S101 PolarHBondContact O-N 2.89Å; S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.04Å
102A48.7Very low61.1Low87 Ų8797.9 Ų97.972%0.71961%0.605SS**  trans-5795.2178.400000109.5A104A102-A104 PolarHBondContact O-N 3.01Å
103V52.6Low63.9Low82 Ų8290.8 Ų90.850%0.49756%0.563SS.*PPolyproline II helixtrans-60.5117.9179.5-1760000106.7S101 G105 W106S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.04Å; V103-G105 PolarHBondContact O-N 2.98Å; V103-W106 HydrophobicContact CG1-CZ2 4.47Å
104A69.5Low66.3Low86 Ų8688.8 Ų88.871%0.71155%0.546SS*.PPolyproline II helixtrans-50.2134.9171.900000108.7A102A102-A104 PolarHBondContact O-N 3.01Å
105G78.3Confident69Low42 Ų4284.2 Ų84.243%0.43352%0.516SS..PPolyproline II helixtrans-52.2145-174.200000113.2V103V103-G105 PolarHBondContact O-N 2.98Å
106W86.1Confident71.8Confident73 Ų7377.6 Ų77.628%0.27749%0.49SS..PPolyproline II helixtrans-67.8150.2172.6-62.195.8000110.7V103 P237 R321 H323V103-W106 HydrophobicContact CG1-CZ2 4.47Å; W106-P237 WeakPolarHBondContact CA-O 3.37Å; W106-P237 VanDerWaalsContact CB-O 3.27Å; W106-P237 WeakPolarHBondContact CB-O 3.36Å; W106-P237 VanDerWaalsContact CD1-O 3.24Å; W106-P237 PolarHBondContact N-O 3.07Å; W106-P237 WeakPolarHBondContact O-CA 3.33Å; W106-R321 VanDerWaalsContact CB-CZ 3.43Å; W106-R321 HydrophobicContact CG-CB 3.96Å; W106-R321 VanDerWaalsContact NE1-C 3.29Å; W106-R321 PolarHBondContact NE1-O 2.78Å; W106-H323 VanDerWaalsContact CH2-CA 3.47Å; W106-H323 HydrophobicContact CH2-CB 3.39Å; W106-H323 HydrophobicContact CZ2-CB 4.31Å; W106-H323 HydrophobicContact CZ3-CB 3.59Å
107P85.8Confident74.5Confident89 Ų8974.8 Ų74.858%0.57847%0.47SS*.PPolyproline II helixtrans-61.4158.2176.327.7-35.6000111.3R321P107-R321 PolarHBondContact O-NH1 3.47Å; P107-R321 PolarHBondContact O-NH2 2.9Å
108K89.7Confident77.3Confident119 Ų11969 Ų6952%0.51745%0.445SS..PPolyproline II helixtrans-56.4157.516966.7174.2173.8-171.50111.8V110 E152K108-V110 PolarHBondContact O-N 2.86Å; K108-E152 IonicContact NZ-OE2 2.7Å; K108-E152 PolarHBondContact NZ-OE2 3.36Å
109P91.3Very high80Confident10 Ų1061 Ų617%0.06541%0.413CS..  trans-45.9140.9170.3-30.839000112.7E154 V235 V394 E395 L396P109-E154 WeakPolarHBondContact CB-OE2 3.27Å; P109-E154 WeakPolarHBondContact CD-OE2 3.44Å; P109-E154 WeakPolarHBondContact CG-OE2 3.44Å; P109-V235 HydrophobicContact CG-CB 4.22Å; P109-V235 HydrophobicContact CG-CG1 3.79Å; P109-V394 HydrophobicContact CB-CG1 3.72Å; P109-V394 HydrophobicContact CG-CG1 3.79Å; P109-E395 CarbonylContact C-O 3.54Å; P109-E395 WeakPolarHBondContact CA-O 3.27Å; P109-L396 HydrophobicContact CB-CD2 4.5Å; P109-L396 HydrophobicContact CG-CD2 4.06Å
110V92.2Very high82.9Confident56 Ų5664.9 Ų64.934%0.33941%0.409SS..SBendtrans-72.5-42.5-179.21730000111K108 E395 R398K108-V110 PolarHBondContact O-N 2.86Å; V110-E395 HydrophobicContact CB-CB 4.34Å; V110-E395 HydrophobicContact CB-CG 4.05Å; V110-E395 WeakPolarHBondContact CB-O 3.44Å; V110-E395 HydrophobicContact CG1-CG 4.37Å; V110-E395 WeakPolarHBondContact CG1-OE2 3.26Å; V110-E395 PolarHBondContact N-O 3.43Å; V110-R398 HydrophobicContact CG1-CG 3.7Å; V110-R398 HydrophobicContact CG2-CG 4.34Å
111S95.6Very high85.7Confident29 Ų2964.8 Ų64.820%0.20338%0.384CS..EExtended strand (participates in β ladder)trans-161.3165.6176.573.50000109.7A369 E395S111-A369 WeakPolarHBondContact OG-CB 3.44Å; S111-E395 WeakPolarHBondContact O-CB 3.32Å; S111-E395 PolarHBondContact O-N 2.86Å; S111-E395 PolarHBondContact OG-OE2 3.03Å
112H97.5Very high88.5Confident70 Ų7071.8 Ų71.832%0.32440%0.396SS..EExtended strand (participates in β ladder)trans-136.9164168.762.4-97.5000109.5F156 V393H112-F156 HydrophobicContact CB-CD1 4.35Å; H112-F156 HydrophobicContact CB-CE1 3.49Å; H112-F156 VanDerWaalsContact CB-CE1 3.49Å; H112-F156 HydrophobicContact CB-CZ 4.06Å; H112-F156 AromaticContact CG-CE1 3.61Å; H112-F156 AromaticContact ND1-CE1 3.91Å; H112-V393 CarbonylContact C-O 3.59Å; H112-V393 WeakPolarHBondContact CA-O 3.14Å
113G97.3Very high90.8Very high2 Ų273.7 Ų73.72%0.02139%0.39CS..EExtended strand (participates in β ladder)trans-152.8136.5173.500000110.3S370 V392 V393G113-S370 WeakPolarHBondContact CA-OG 3.38Å; G113-V392 CarbonylContact O-C 3.51Å; G113-V392 WeakPolarHBondContact O-CA 3.49Å; G113-V393 PolarHBondContact N-O 3.42Å; G113-V393 PolarHBondContact O-N 2.87Å
114A98.1Very high93Very high42 Ų4272.8 Ų72.835%0.34738%0.381SS..EExtended strand (participates in β ladder)trans-123.5133.9177.600000109.2V128 V130 V391 V392A114-V128 HydrophobicContact CB-CG2 4.27Å; A114-V130 HydrophobicContact CB-CG2 4.46Å; A114-V391 CarbonylContact C-O 3.49Å; A114-V391 WeakPolarHBondContact CA-O 3.46Å; A114-V392 HydrophobicContact CB-CG2 3.94Å
115V98Very high94.3Very high34 Ų3469.2 Ų69.221%0.20635%0.35CS..EExtended strand (participates in β ladder)trans-132.7130.2172.9179.50000107.5V117 A373 A374 V377 S390 V391V115-V117 HydrophobicContact CG1-CG1 4.08Å; V115-A373 HydrophobicContact CB-CB 4.25Å; V115-A373 HydrophobicContact CG2-CB 3.78Å; V115-A374 HydrophobicContact CG2-CB 4.14Å; V115-V377 HydrophobicContact CB-CG2 4.02Å; V115-V377 HydrophobicContact CG1-CB 4.24Å; V115-V377 HydrophobicContact CG1-CG1 4.36Å; V115-V377 HydrophobicContact CG1-CG2 3.78Å; V115-S390 CarbonylContact O-C 3.46Å; V115-S390 WeakPolarHBondContact O-CA 3.14Å; V115-V391 PolarHBondContact N-O 2.9Å; V115-V391 PolarHBondContact O-N 2.88Å
116S98.2Very high95.3Very high44 Ų4467.6 Ų67.631%0.30833%0.331SS..EExtended strand (participates in β ladder)trans-138.6119.9-178.5-1750000107.9M124 I389 S390S116-M124 WeakPolarHBondContact OG-CE 3.5Å; S116-I389 WeakPolarHBondContact CA-O 3.34Å; S116-S390 WeakPolarHBondContact CB-OG 3.38Å; S116-S390 PolarHBondContact OG-OG 2.92Å
117V98.1Very high95.9Very high46 Ų4664.2 Ų64.228%0.27932%0.319SS..EExtended strand (participates in β ladder)trans-134.9147.1-174.1-60.50000111.4V115 G119 M124 V377 N388 I389V115-V117 HydrophobicContact CG1-CG1 4.08Å; V117-G119 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact O-N 3.15Å; V117-M124 VanDerWaalsContact C-SD 3.56Å; V117-V377 HydrophobicContact CG1-CG1 4.27Å; V117-V377 HydrophobicContact CG2-CG1 3.41Å; V117-V377 VanDerWaalsContact CG2-CG1 3.41Å; V117-N388 WeakPolarHBondContact O-CA 3.1Å; V117-I389 HydrophobicContact CG2-CB 4.04Å; V117-I389 PolarHBondContact N-O 3.41Å; V117-I389 PolarHBondContact O-N 2.86Å
118I97.9Very high96.5Very high74 Ų7461.6 Ų61.638%0.37930%0.301SS..  trans-64.3-18.5177.2-163.2170.1000113.6R120 R121 E123 M124 N388I118-R120 PolarHBondContact O-N 3Å; I118-R121 HydrophobicContact CG1-CB 4.29Å; I118-R121 WeakPolarHBondContact O-CB 3.17Å; I118-R121 PolarHBondContact O-N 2.85Å; I118-R121 VanDerWaalsContact O-N 3.16Å; I118-E123 WeakPolarHBondContact CG1-O 3.12Å; I118-M124 VanDerWaalsContact CA-SD 3.5Å; I118-M124 HydrophobicContact CB-CB 4.38Å; I118-M124 HydrophobicContact CB-SD 4.08Å; I118-M124 HydrophobicContact CD1-CB 4.28Å; I118-M124 HydrophobicContact CG1-CB 4.14Å; I118-M124 PolarHBondContact N-SD 3.19Å; I118-N388 WeakPolarHBondContact CA-ND2 3.07Å; I118-N388 PolarHBondContact O-ND2 2.77Å
119G95.7Very high96.9Very high21 Ų2156.3 Ų56.322%0.21628%0.28CS..THydrogen-bonded Turntrans58.9-120.8-178.100000111.7V117 D387V117-G119 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact O-N 3.15Å; G119-D387 WeakPolarHBondContact CA-O 3.25Å
120R94.9Very high97.2Very high143 Ų14358.4 Ų58.454%0.5429%0.292SS..THydrogen-bonded Turntrans-107.76.6179-56.4-178.2-174.1163.95.4113.3I118 M381I118-R120 PolarHBondContact O-N 3Å; R120-M381 PolarHBondContact NH2-O 3.29Å; R120-M381 VanDerWaalsContact NH2-O 3.12Å
121R96.3Very high97.4Very high112 Ų11256.6 Ų56.642%0.42328%0.283SS..  trans-74.3165.1176.7-62-80.7-76.3171.7-0.4110.8I118 E123 E125 D387 N388I118-R121 HydrophobicContact CG1-CB 4.29Å; I118-R121 WeakPolarHBondContact O-CB 3.17Å; I118-R121 PolarHBondContact O-N 2.85Å; I118-R121 VanDerWaalsContact O-N 3.16Å; R121-E123 WeakPolarHBondContact CB-O 3.37Å; R121-E125 IonicContact CZ-OE2 3.5Å; R121-E125 IonicContact NH2-OE2 2.95Å; R121-E125 PolarHBondContact NH2-OE2 2.79Å; R121-D387 VanDerWaalsContact CD-OD1 3.27Å; R121-D387 WeakPolarHBondContact CD-OD1 3.31Å; R121-D387 WeakPolarHBondContact CG-OD1 3.3Å; R121-D387 IonicContact NE-OD1 3.68Å; R121-D387 PolarHBondContact NE-OD1 3.11Å; R121-N388 WeakPolarHBondContact CB-ND2 3.34Å; R121-N388 WeakPolarHBondContact CG-ND2 3.27Å
122R96.6Very high97.2Very high246 Ų24658.1 Ų58.193%0.92829%0.291SS*.SBendtrans-86.1-25.6173-65.1-175.6178.8-1550.1112.5
123E97.1Very high96.8Very high127 Ų12758.6 Ų58.659%0.59330%0.3SS*.SBendtrans-129.2151.5-175.4-64.6179.5-173.800109.1I118 R121 N388I118-E123 WeakPolarHBondContact CG1-O 3.12Å; R121-E123 WeakPolarHBondContact CB-O 3.37Å; E123-N388 PolarHBondContact O-ND2 2.94Å; E123-N388 PolarHBondContact O-OD1 3.27Å
124M98.3Very high96.4Very high64 Ų6459.7 Ų59.732%0.31530%0.304SS..  trans-106.1105.2176.3-176.766.7-177.600107.7S116 V117 I118 D126 N388S116-M124 WeakPolarHBondContact OG-CE 3.5Å; V117-M124 VanDerWaalsContact C-SD 3.56Å; I118-M124 VanDerWaalsContact CA-SD 3.5Å; I118-M124 HydrophobicContact CB-CB 4.38Å; I118-M124 HydrophobicContact CB-SD 4.08Å; I118-M124 HydrophobicContact CD1-CB 4.28Å; I118-M124 HydrophobicContact CG1-CB 4.14Å; I118-M124 PolarHBondContact N-SD 3.19Å; M124-D126 HydrophobicContact CE-CB 3.31Å; M124-D126 HydrophobicContact SD-CB 4.11Å; M124-N388 WeakPolarHBondContact CA-OD1 3.44Å; M124-N388 HydrophobicContact SD-CB 4.06Å
125E98.4Very high95.9Very high11 Ų1159.1 Ų59.15%0.05130%0.295CS..  trans-105.2-19.1-179.1-59173.410900111.5R121 G161 G163 G164 A168 N388R121-E125 IonicContact CZ-OE2 3.5Å; R121-E125 IonicContact NH2-OE2 2.95Å; R121-E125 PolarHBondContact NH2-OE2 2.79Å; E125-G161 WeakPolarHBondContact CB-O 3.36Å; E125-G161 WeakPolarHBondContact O-CA 3.45Å; E125-G161 PolarHBondContact O-N 2.96Å; E125-G163 PolarHBondContact OE1-N 3.07Å; E125-G164 WeakPolarHBondContact OE1-CA 3.33Å; E125-G164 PolarHBondContact OE1-N 3.26Å; E125-A168 WeakPolarHBondContact O-CB 3.24Å; E125-N388 PolarHBondContact N-OD1 3.24Å
126D98.8Very high94.8Very high8 Ų860.9 Ų60.94%0.04331%0.306CS..  trans-64.5145.2171.8-98.416.9000113.4M124 Y159 D160 S332 N388 I389 S390M124-D126 HydrophobicContact CE-CB 3.31Å; M124-D126 HydrophobicContact SD-CB 4.11Å; D126-Y159 CarbonylContact C-O 3.56Å; D126-Y159 WeakPolarHBondContact CA-O 3.39Å; D126-D160 WeakPolarHBondContact OD1-CA 3.22Å; D126-S332 PolarHBondContact OD2-OG 3.26Å; D126-N388 HydrophobicContact CB-CB 3.8Å; D126-N388 VanDerWaalsContact CG-CB 3.49Å; D126-N388 PolarHBondContact N-OD1 3.13Å; D126-I389 PolarHBondContact OD2-N 2.89Å; D126-S390 VanDerWaalsContact CB-OG 3.27Å; D126-S390 WeakPolarHBondContact CB-OG 3.31Å; D126-S390 VanDerWaalsContact CG-OG 3.24Å; D126-S390 WeakPolarHBondContact OD2-CB 3.46Å; D126-S390 PolarHBondContact OD2-N 3.03Å; D126-S390 VanDerWaalsContact OD2-N 3.08Å; D126-S390 PolarHBondContact OD2-OG 3.44Å
127A98.6Very high93.1Very high2 Ų259.6 Ų59.62%0.01730%0.298CS..EExtended strand (participates in β ladder)trans-140.7157.5169.100000112.1Y159 A168 R172A127-Y159 HydrophobicContact CB-CD2 4.17Å; A127-Y159 PolarHBondContact N-O 3.44Å; A127-Y159 PolarHBondContact O-N 3.37Å; A127-A168 HydrophobicContact CB-CB 4.02Å; A127-R172 HydrophobicContact CB-CB 4.14Å
128V98.7Very high90.9Very high34 Ų3461.2 Ų61.221%0.20632%0.316CS..EExtended strand (participates in β ladder)trans-133.2147.6175.4-60.90000110.3A114 A157 V158 R172 V392A114-V128 HydrophobicContact CB-CG2 4.27Å; V128-A157 WeakPolarHBondContact CA-O 3.26Å; V128-V158 HydrophobicContact CG1-CG2 4.2Å; V128-R172 WeakPolarHBondContact O-CD 3.22Å; V128-R172 WeakPolarHBondContact O-CG 3.47Å; V128-V392 HydrophobicContact CB-CG2 4.35Å; V128-V392 HydrophobicContact CG1-CG2 4.25Å
129A98.4Very high88.5Confident8 Ų860.3 Ų60.37%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-132140.2172.800000111.5F155 F156 A157 Y159 R172A129-F155 HydrophobicContact CB-CE1 4.04Å; A129-F156 CarbonylContact O-C 3.56Å; A129-F156 WeakPolarHBondContact O-CA 3.39Å; A129-A157 PolarHBondContact N-O 3.37Å; A129-A157 PolarHBondContact O-N 3.15Å; A129-Y159 HydrophobicContact CB-CE2 3.74Å; A129-R172 HydrophobicContact CB-CG 4.18Å
130V97.8Very high86.1Confident53 Ų5362.9 Ų62.932%0.32135%0.346SS..EExtended strand (participates in β ladder)trans-135.6123.7173.3179.90000108A114 V132 F155 F156A114-V130 HydrophobicContact CB-CG2 4.46Å; V130-V132 HydrophobicContact CG1-CG2 3.84Å; V130-F155 WeakPolarHBondContact CA-O 3.48Å; V130-F156 HydrophobicContact CB-CD1 4.4Å; V130-F156 HydrophobicContact CG1-CD1 3.82Å; V130-F156 HydrophobicContact CG1-CE1 3.64Å; V130-F156 HydrophobicContact CG2-CD1 3.98Å
131A95.9Very high83.4Confident18 Ų1864.9 Ų64.915%0.14936%0.362CS..EExtended strand (participates in β ladder)trans-124.3111173.200000109.6F134 F155A131-F134 HydrophobicContact CB-CB 4.3Å; A131-F134 HydrophobicContact CB-CD2 4.39Å; A131-F134 WeakPolarHBondContact O-CB 3.46Å; A131-F134 PolarHBondContact O-N 3.14Å; A131-F155 HydrophobicContact CB-CB 4.14Å; A131-F155 PolarHBondContact N-O 3.16Å; A131-F155 PolarHBondContact O-N 3.48Å
132V91.7Very high80.6Confident62 Ų6268.9 Ų68.938%0.37639%0.385SS..EExtended strand (participates in β ladder)trans-138114.1-177.6178.30000109.1V130 E154 F156V130-V132 HydrophobicContact CG1-CG2 3.84Å; V132-E154 HydrophobicContact CB-CG 4.36Å; V132-E154 HydrophobicContact CG1-CG 3.91Å; V132-E154 WeakPolarHBondContact CG1-OE1 3.34Å; V132-E154 HydrophobicContact CG2-CB 3.91Å; V132-E154 HydrophobicContact CG2-CG 3.84Å; V132-F156 HydrophobicContact CG2-CE1 4.23Å; V132-F156 HydrophobicContact CG2-CZ 4.07Å
133P88.2Confident78Confident79 Ų7960.5 Ų60.551%0.51338%0.376SS..EExtended strand (participates in β ladder)cis-66151.6-9.731.3-35000111.3V136P133-V136 HydrophobicContact CB-CG2 3.98Å; P133-V136 HydrophobicContact CG-CG2 4.24Å
134F89.6Confident75.3Confident25 Ų2563 Ų6311%0.1139%0.393CS..EExtended strand (participates in β ladder)trans-95.1-55.7172.6166.3-125.1000111.1A131 M153 F155 H176 L179 A180 V234A131-F134 HydrophobicContact CB-CB 4.3Å; A131-F134 HydrophobicContact CB-CD2 4.39Å; A131-F134 WeakPolarHBondContact O-CB 3.46Å; A131-F134 PolarHBondContact O-N 3.14Å; F134-M153 WeakPolarHBondContact CB-O 3.19Å; F134-M153 PolarHBondContact N-O 3.05Å; F134-F155 HydrophobicContact CB-CB 3.66Å; F134-F155 HydrophobicContact CD1-CB 3.93Å; F134-F155 HydrophobicContact CD2-CB 3.92Å; F134-F155 HydrophobicContact CD2-CG 4.49Å; F134-F155 HydrophobicContact CE1-CD2 4.47Å; F134-F155 HydrophobicContact CE2-CD2 4.46Å; F134-F155 HydrophobicContact CG-CB 3.55Å; F134-F155 HydrophobicContact CG-CG 4.48Å; F134-F155 HydrophobicContact CZ-CD2 4.43Å; F134-H176 HydrophobicContact CD2-CB 4.47Å; F134-H176 HydrophobicContact CE2-CB 4.23Å; F134-H176 WeakPolarHBondContact CE2-O 3.04Å; F134-L179 HydrophobicContact CE1-CD2 3.92Å; F134-L179 HydrophobicContact CE1-CG 4.22Å; F134-L179 HydrophobicContact CZ-CB 3.96Å; F134-L179 HydrophobicContact CZ-CD2 3.75Å; F134-L179 HydrophobicContact CZ-CG 3.74Å; F134-A180 HydrophobicContact CE2-CB 3.79Å; F134-A180 HydrophobicContact CZ-CB 4.07Å; F134-V234 HydrophobicContact CD1-CG1 4.26Å; F134-V234 HydrophobicContact CD1-CG2 4.36Å; F134-V234 HydrophobicContact CE1-CG1 4.43Å; F134-V234 HydrophobicContact CE1-CG2 4.12Å
135L86.3Confident72.3Confident31 Ų3163.8 Ų63.816%0.16242%0.417CS..EExtended strand (participates in β ladder)trans-126.6136.4174-69.8168.9000108.8E152 M153 A180 V183L135-E152 WeakPolarHBondContact O-CA 3.19Å; L135-M153 HydrophobicContact CB-CB 4.27Å; L135-M153 HydrophobicContact CD1-SD 4.29Å; L135-M153 PolarHBondContact N-O 3Å; L135-M153 PolarHBondContact O-N 2.86Å; L135-A180 HydrophobicContact CD2-CB 3.96Å; L135-V183 HydrophobicContact CD1-CB 4.06Å; L135-V183 HydrophobicContact CD1-CG1 3.61Å; L135-V183 HydrophobicContact CD1-CG2 3.96Å; L135-V183 HydrophobicContact CD2-CG1 4.4Å
136V75.6Confident69.4Low70 Ų7066.1 Ų66.142%0.42444%0.444SS..EExtended strand (participates in β ladder)trans-113.1107.7168.7-175.20000106P133 A138 E150P133-V136 HydrophobicContact CB-CG2 3.98Å; P133-V136 HydrophobicContact CG-CG2 4.24Å; V136-A138 PolarHBondContact O-N 3.37Å; V136-E150 HydrophobicContact CG1-CB 3.97Å; V136-E150 HydrophobicContact CG1-CG 4.24Å
137A61.8Low66.3Low17 Ų1769.8 Ų69.814%0.1448%0.484CS..  trans-67.6114.117100000108.1A139 A151 V189A137-A139 PolarHBondContact O-N 3.4Å; A137-A151 HydrophobicContact CB-CB 3.99Å; A137-A151 PolarHBondContact N-O 2.65Å; A137-V189 HydrophobicContact CB-CG1 3.49Å; A137-V189 VanDerWaalsContact CB-CG1 3.49Å
138A52.2Low63.9Low80 Ų8077 Ų7766%0.66152%0.517SS*.PPolyproline II helixtrans-56.3124.2168.600000107.9V136 G140V136-A138 PolarHBondContact O-N 3.37Å; A138-G140 PolarHBondContact O-N 3.04Å; A138-G140 VanDerWaalsContact O-N 3.11Å
139A47.6Very low61.6Low56 Ų5684.8 Ų84.846%0.46355%0.548SS..PPolyproline II helixtrans-54121.617100000107.2A137 E141A137-A139 PolarHBondContact O-N 3.4Å; A139-E141 PolarHBondContact O-N 3.44Å; A139-E141 VanDerWaalsContact O-N 3.09Å
140G45.2Very low59.6Low74 Ų7489.7 Ų89.776%0.76357%0.57SS**PPolyproline II helixtrans-53.4122.3178.900000108.9A138 E142A138-G140 PolarHBondContact O-N 3.04Å; A138-G140 VanDerWaalsContact O-N 3.11Å; G140-E142 PolarHBondContact O-N 3.4Å
141E37.7Very low58.1Low186 Ų18688.7 Ų88.787%0.86957%0.567SS**SBendtrans-60135.1166.8-66-176153.300107.9A139A139-E141 PolarHBondContact O-N 3.44Å; A139-E141 VanDerWaalsContact O-N 3.09Å
142E38.2Very low57.5Low195 Ų19591.2 Ų91.291%0.91158%0.575SS**  trans86.297.8166.3-52.6-173.7160.700118.1G140G140-E142 PolarHBondContact O-N 3.4Å
143G42.2Very low57.5Low71 Ų7190 Ų9073%0.73257%0.566SS**  trans172.989.2163.600000110.6G145G143-G145 PolarHBondContact O-N 3.08Å
144D40.2Very low57.9Low180 Ų18086.6 Ų86.696%0.96354%0.544SS*.SBendtrans-41.8124179.3-170.920.7000113.1
145G35.4Very low58.2Low79 Ų7985.4 Ų85.481%0.81454%0.538SS*.SBendtrans111.339.1164.900000119.1G143G143-G145 PolarHBondContact O-N 3.08Å
146G37Very low58.8Low61 Ų6184 Ų8463%0.62953%0.531SS*.  trans150.393.1161.500000113E148G146-E148 PolarHBondContact O-N 2.6Å
147G35.1Very low59.9Low84 Ų8480.6 Ų80.687%0.86651%0.51SS*.  trans-58.6100.6179.400000111.8K149G147-K149 PolarHBondContact O-N 2.94Å
148E46.9Very low61.7Low155 Ų15579.8 Ų79.872%0.72450%0.504SS*.  trans-64.9113.1165.9-67.9-166.5150.600107.1G146G146-E148 PolarHBondContact O-N 2.6Å
149K51.2Low63.9Low197 Ų19776 Ų7686%0.85747%0.472SS*.  trans-54.7141177.1-73.6-177.9175.1-178.70109.7G147 A151G147-K149 PolarHBondContact O-N 2.94Å; K149-A151 PolarHBondContact O-N 3.2Å; K149-A151 VanDerWaalsContact O-N 3.1Å
150E55.2Low66.4Low111 Ų11174 Ų7452%0.51945%0.453SS..  trans-40.2118171.5-68.2177.9164.900110.1V136 E152V136-E150 HydrophobicContact CG1-CB 3.97Å; V136-E150 HydrophobicContact CG1-CG 4.24Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.5Å
151A67.4Low68.9Low31 Ų3170.6 Ų70.626%0.25642%0.419SS..  trans-77.391.5177.600000108A137 K149 P237A137-A151 HydrophobicContact CB-CB 3.99Å; A137-A151 PolarHBondContact N-O 2.65Å; K149-A151 PolarHBondContact O-N 3.2Å; K149-A151 VanDerWaalsContact O-N 3.1Å; A151-P237 HydrophobicContact CB-CG 3.91Å
152E83.7Confident71.7Confident71 Ų7163.4 Ų63.433%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-68.8131.3169.6-67.6178.2-175.500109.6K108 L135 E150K108-E152 IonicContact NZ-OE2 2.7Å; K108-E152 PolarHBondContact NZ-OE2 3.36Å; L135-E152 WeakPolarHBondContact O-CA 3.19Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.5Å
153M91.2Very high74.4Confident36 Ų3656.8 Ų56.818%0.17737%0.369CS..EExtended strand (participates in β ladder)trans-113.3150167.6-54.8-174.2-171.700109.7F134 L135 W197 V234 V235F134-M153 WeakPolarHBondContact CB-O 3.19Å; F134-M153 PolarHBondContact N-O 3.05Å; L135-M153 HydrophobicContact CB-CB 4.27Å; L135-M153 HydrophobicContact CD1-SD 4.29Å; L135-M153 PolarHBondContact N-O 3Å; L135-M153 PolarHBondContact O-N 2.86Å; M153-W197 HydrophobicContact CE-CZ2 4.07Å; M153-W197 HydrophobicContact SD-CH2 3.82Å; M153-W197 HydrophobicContact SD-CZ2 3.8Å; M153-V234 HydrophobicContact CB-CG1 4.01Å; M153-V234 HydrophobicContact SD-CG1 4.04Å; M153-V235 WeakPolarHBondContact CA-O 3.34Å
154E95.3Very high76.9Confident9 Ų954.1 Ų54.14%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-119.7140.6179.4-65-172.4-178.900110.2P109 V132 F156 V234 V235P109-E154 WeakPolarHBondContact CB-OE2 3.27Å; P109-E154 WeakPolarHBondContact CD-OE2 3.44Å; P109-E154 WeakPolarHBondContact CG-OE2 3.44Å; V132-E154 HydrophobicContact CB-CG 4.36Å; V132-E154 HydrophobicContact CG1-CG 3.91Å; V132-E154 WeakPolarHBondContact CG1-OE1 3.34Å; V132-E154 HydrophobicContact CG2-CB 3.91Å; V132-E154 HydrophobicContact CG2-CG 3.84Å; E154-F156 HydrophobicContact CB-CE2 3.54Å; E154-F156 HydrophobicContact CB-CZ 3.84Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.38Å; E154-V234 CarbonylContact O-C 3.56Å; E154-V234 WeakPolarHBondContact O-CA 3.38Å; E154-V235 PolarHBondContact N-O 2.71Å; E154-V235 PolarHBondContact O-N 2.6Å
155F97.6Very high79.5Confident0 Ų047.3 Ų47.30%031%0.308CS..EExtended strand (participates in β ladder)trans-112.3134.9-179.1175.7-75.9000110.7A129 V130 A131 F134 A157 Y159 L175 H176 L179 V232 V234A129-F155 HydrophobicContact CB-CE1 4.04Å; V130-F155 WeakPolarHBondContact CA-O 3.48Å; A131-F155 HydrophobicContact CB-CB 4.14Å; A131-F155 PolarHBondContact N-O 3.16Å; A131-F155 PolarHBondContact O-N 3.48Å; F134-F155 HydrophobicContact CB-CB 3.66Å; F134-F155 HydrophobicContact CD1-CB 3.93Å; F134-F155 HydrophobicContact CD2-CB 3.92Å; F134-F155 HydrophobicContact CD2-CG 4.49Å; F134-F155 HydrophobicContact CE1-CD2 4.47Å; F134-F155 HydrophobicContact CE2-CD2 4.46Å; F134-F155 HydrophobicContact CG-CB 3.55Å; F134-F155 HydrophobicContact CG-CG 4.48Å; F134-F155 HydrophobicContact CZ-CD2 4.43Å; F155-A157 HydrophobicContact CE1-CB 3.53Å; F155-A157 HydrophobicContact CZ-CB 3.77Å; F155-Y159 WeakPolarHBondContact CZ-OH 3.27Å; F155-L175 HydrophobicContact CE2-CD2 3.94Å; F155-L175 HydrophobicContact CZ-CD2 3.96Å; F155-H176 HydrophobicContact CD1-CB 3.83Å; F155-H176 HydrophobicContact CD2-CB 3.9Å; F155-H176 HydrophobicContact CE1-CB 3.77Å; F155-H176 HydrophobicContact CE2-CB 3.78Å; F155-H176 HydrophobicContact CG-CB 3.93Å; F155-H176 HydrophobicContact CZ-CB 3.74Å; F155-L179 HydrophobicContact CD2-CD2 3.9Å; F155-L179 HydrophobicContact CE2-CD2 3.84Å; F155-V232 HydrophobicContact CD2-CG1 3.9Å; F155-V232 HydrophobicContact CE2-CB 4.47Å; F155-V232 HydrophobicContact CE2-CG1 3.27Å; F155-V232 HydrophobicContact CE2-CG2 4.41Å; F155-V232 HydrophobicContact CZ-CG1 3.67Å; F155-V232 HydrophobicContact CZ-CG2 4.12Å; F155-V234 HydrophobicContact CD2-CG2 4.12Å
156F98.7Very high82.3Confident0 Ų048.7 Ų48.70%029%0.289CS..EExtended strand (participates in β ladder)trans-138137.4176.5-54.8-82.6000109.6H112 A129 V130 V132 E154 V232 A233 V235 L330 V392 V394H112-F156 HydrophobicContact CB-CD1 4.35Å; H112-F156 HydrophobicContact CB-CE1 3.49Å; H112-F156 VanDerWaalsContact CB-CE1 3.49Å; H112-F156 HydrophobicContact CB-CZ 4.06Å; H112-F156 AromaticContact CG-CE1 3.61Å; H112-F156 AromaticContact ND1-CE1 3.91Å; A129-F156 CarbonylContact O-C 3.56Å; A129-F156 WeakPolarHBondContact O-CA 3.39Å; V130-F156 HydrophobicContact CB-CD1 4.4Å; V130-F156 HydrophobicContact CG1-CD1 3.82Å; V130-F156 HydrophobicContact CG1-CE1 3.64Å; V130-F156 HydrophobicContact CG2-CD1 3.98Å; V132-F156 HydrophobicContact CG2-CE1 4.23Å; V132-F156 HydrophobicContact CG2-CZ 4.07Å; E154-F156 HydrophobicContact CB-CE2 3.54Å; E154-F156 HydrophobicContact CB-CZ 3.84Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.38Å; F156-V232 CarbonylContact O-C 3.52Å; F156-V232 WeakPolarHBondContact O-CA 3.42Å; F156-A233 PolarHBondContact N-O 2.83Å; F156-A233 PolarHBondContact O-N 2.73Å; F156-V235 HydrophobicContact CD2-CG2 4.18Å; F156-V235 HydrophobicContact CE2-CG2 4.12Å; F156-L330 HydrophobicContact CB-CD1 4.33Å; F156-L330 HydrophobicContact CB-CD2 4.37Å; F156-V392 HydrophobicContact CB-CG1 4.14Å; F156-V392 HydrophobicContact CD1-CG1 3.91Å; F156-V392 HydrophobicContact CG-CG1 4.36Å; F156-V394 HydrophobicContact CB-CG2 4.24Å; F156-V394 HydrophobicContact CD1-CG2 3.64Å; F156-V394 HydrophobicContact CD2-CG1 4.31Å; F156-V394 HydrophobicContact CD2-CG2 3.58Å; F156-V394 HydrophobicContact CE1-CG1 4.49Å; F156-V394 HydrophobicContact CE1-CG2 3.82Å; F156-V394 HydrophobicContact CE2-CB 4.39Å; F156-V394 HydrophobicContact CE2-CG1 3.69Å; F156-V394 HydrophobicContact CE2-CG2 3.74Å; F156-V394 HydrophobicContact CG-CG2 3.52Å; F156-V394 HydrophobicContact CZ-CB 4.49Å; F156-V394 HydrophobicContact CZ-CG1 3.8Å; F156-V394 HydrophobicContact CZ-CG2 3.86Å
157A98.9Very high85.2Confident0 Ų045.8 Ų45.80%026%0.259CS..EExtended strand (participates in β ladder)trans-150.4153.7177.800000113.4V128 A129 F155 Y159 V231 V232V128-A157 WeakPolarHBondContact CA-O 3.26Å; A129-A157 PolarHBondContact N-O 3.37Å; A129-A157 PolarHBondContact O-N 3.15Å; F155-A157 HydrophobicContact CE1-CB 3.53Å; F155-A157 HydrophobicContact CZ-CB 3.77Å; A157-Y159 HydrophobicContact CB-CE1 3.78Å; A157-Y159 HydrophobicContact CB-CE2 3.85Å; A157-Y159 WeakPolarHBondContact CB-OH 3.28Å; A157-V231 WeakPolarHBondContact CA-O 3.44Å; A157-V231 WeakPolarHBondContact CB-O 3.3Å; A157-V232 HydrophobicContact CB-CB 4.5Å; A157-V232 HydrophobicContact CB-CG2 3.93Å
158V98.9Very high88.2Confident0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-124.6134.7167.8178.50000108V128 V231 L330 V392V128-V158 HydrophobicContact CG1-CG2 4.2Å; V158-V231 HydrophobicContact CB-CG1 3.91Å; V158-V231 PolarHBondContact N-O 2.85Å; V158-V231 PolarHBondContact O-N 3Å; V158-L330 HydrophobicContact CG2-CB 3.85Å; V158-V392 HydrophobicContact CG2-CB 4.49Å; V158-V392 HydrophobicContact CG2-CG2 3.81Å
159Y98.9Very high90.6Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-124.4112.4178.2-45.4-70.3000108D126 A127 A129 F155 A157 C171 R172 L175 T229 A230 V232D126-Y159 CarbonylContact C-O 3.56Å; D126-Y159 WeakPolarHBondContact CA-O 3.39Å; A127-Y159 HydrophobicContact CB-CD2 4.17Å; A127-Y159 PolarHBondContact N-O 3.44Å; A127-Y159 PolarHBondContact O-N 3.37Å; A129-Y159 HydrophobicContact CB-CE2 3.74Å; F155-Y159 WeakPolarHBondContact CZ-OH 3.27Å; A157-Y159 HydrophobicContact CB-CE1 3.78Å; A157-Y159 HydrophobicContact CB-CE2 3.85Å; A157-Y159 WeakPolarHBondContact CB-OH 3.28Å; Y159-C171 HydrophobicContact CD1-CB 3.5Å; Y159-C171 VanDerWaalsContact CD1-CB 3.5Å; Y159-C171 HydrophobicContact CD2-CB 4.16Å; Y159-C171 HydrophobicContact CE1-CB 3.68Å; Y159-C171 HydrophobicContact CE2-CB 4.32Å; Y159-C171 HydrophobicContact CG-CB 3.73Å; Y159-C171 PolarHBondContact OH-O 2.84Å; Y159-R172 HydrophobicContact CD2-CB 4.13Å; Y159-R172 VanDerWaalsContact CE2-CA 3.44Å; Y159-R172 HydrophobicContact CE2-CB 4.04Å; Y159-L175 HydrophobicContact CE1-CD1 3.91Å; Y159-T229 VanDerWaalsContact CA-O 3.3Å; Y159-T229 WeakPolarHBondContact CA-O 3.23Å; Y159-A230 HydrophobicContact CD1-CB 3.76Å; Y159-A230 HydrophobicContact CE1-CB 4.03Å; Y159-V232 HydrophobicContact CE1-CG2 4.45Å
160D98.8Very high92.7Very high13 Ų1328.3 Ų28.37%0.0716%0.164CC..  trans-95.2110.1178.3-166.9-27.6000107.7D126 S228 T229 S332 D333D126-D160 WeakPolarHBondContact OD1-CA 3.22Å; D160-S228 VanDerWaalsContact C-OG 3.27Å; D160-S228 CarbonylContact O-C 3.58Å; D160-S228 WeakPolarHBondContact O-CA 3.43Å; D160-S228 PolarHBondContact O-OG 2.87Å; D160-T229 HydrophobicContact CB-CG2 4.12Å; D160-T229 WeakPolarHBondContact CB-OG1 3.32Å; D160-T229 PolarHBondContact N-OG1 3.49Å; D160-T229 PolarHBondContact O-N 3.1Å; D160-S332 WeakPolarHBondContact OD2-CB 3.5Å; D160-D333 PolarHBondContact OD2-N 3.42Å
161G98.3Very high94.8Very high3 Ų323 Ų233%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-89.6146.5-174.500000112.1E125E125-G161 WeakPolarHBondContact CB-O 3.36Å; E125-G161 WeakPolarHBondContact O-CA 3.45Å; E125-G161 PolarHBondContact O-N 2.96Å
162H97Very high96.3Very high36 Ų3625.7 Ų25.717%0.16714%0.142CC..EExtended strand (participates in β ladder)trans-138.9144.1173.857.1-103.6000112G164 G227 D303H162-G164 PolarHBondContact O-N 3.14Å; H162-G227 PolarHBondContact N-O 3.4Å; H162-G227 WeakPolarHBondContact NE2-CA 3.33Å; H162-G227 PolarHBondContact O-N 3.23Å; H162-D303 IonicContact CD2-OD1 3.76Å; H162-D303 PolarHBondContact CD2-OD1 3.23Å; H162-D303 IonicContact CD2-OD2 3.54Å; H162-D303 IonicContact CE1-OD2 2.77Å; H162-D303 PolarHBondContact CE1-OD2 3.44Å; H162-D303 VanDerWaalsContact CE1-OD2 3.27Å; H162-D303 IonicContact NE2-OD1 3.37Å; H162-D303 PolarHBondContact NE2-OD1 2.76Å; H162-D303 IonicContact NE2-OD2 2.66Å; H162-D303 PolarHBondContact NE2-OD2 2.94Å
163G94Very high96.9Very high56 Ų5628 Ų2858%0.57715%0.153SC*.SBendtrans74.97.5-174.200000113.5E125E125-G163 PolarHBondContact OE1-N 3.07Å
164G94.4Very high97.2Very high14 Ų1430.1 Ų30.114%0.14416%0.159CC..SBendtrans138.5161.4-175.300000112.3E125 H162 V226E125-G164 WeakPolarHBondContact OE1-CA 3.33Å; E125-G164 PolarHBondContact OE1-N 3.26Å; H162-G164 PolarHBondContact O-N 3.14Å; G164-V226 WeakPolarHBondContact O-CG1 3.2Å
165S95.6Very high97.3Very high38 Ų3829.7 Ų29.727%0.26616%0.157SC..SBendtrans-83-12.4-17873.10000114.6V167 A168 D169S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.36Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.1Å; S165-D169 WeakPolarHBondContact CB-OD2 3.47Å; S165-D169 WeakPolarHBondContact O-CB 3.27Å; S165-D169 PolarHBondContact O-N 2.96Å; S165-D169 PolarHBondContact OG-OD2 2.97Å
166R94.8Very high97.3Very high107 Ų10731.9 Ų31.940%0.40417%0.168SC..Hα-helixtrans-60.4-40-163.3-60-174.8-142.1168.86.1113.7A170 E216 N220R166-A170 VanDerWaalsContact O-CB 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.14Å; R166-E216 IonicContact NH1-OE1 3.46Å; R166-N220 VanDerWaalsContact CZ-OD1 3.3Å; R166-N220 PolarHBondContact NH1-ND2 3.25Å; R166-N220 PolarHBondContact NH1-OD1 3.27Å; R166-N220 PolarHBondContact NH2-ND2 3.09Å; R166-N220 PolarHBondContact NH2-OD1 3.5Å
167V97Very high97.3Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-71.3-41178.9-179.10000110.6S165 D169 A170 C171 V212 E216 V226 I301S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.36Å; V167-D169 PolarHBondContact O-N 3.42Å; V167-A170 PolarHBondContact O-N 3.06Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 3.29Å; V167-C171 PolarHBondContact O-SG 2.82Å; V167-V212 HydrophobicContact CB-CG1 4.43Å; V167-V212 HydrophobicContact CG1-CG1 4.08Å; V167-V212 HydrophobicContact CG1-CG2 4.43Å; V167-V212 HydrophobicContact CG2-CG1 3.7Å; V167-E216 HydrophobicContact CG2-CG 4.47Å; V167-V226 HydrophobicContact CB-CG1 4.36Å; V167-V226 HydrophobicContact CG2-CB 4Å; V167-V226 HydrophobicContact CG2-CG1 3.76Å; V167-I301 HydrophobicContact CG1-CB 4.22Å; V167-I301 HydrophobicContact CG1-CG2 3.8Å
168A98.1Very high97.2Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-62.5-41.8174.100000112E125 A127 S165 C171 R172 S228E125-A168 WeakPolarHBondContact O-CB 3.24Å; A127-A168 HydrophobicContact CB-CB 4.02Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.1Å; A168-C171 PolarHBondContact O-N 2.93Å; A168-R172 PolarHBondContact O-N 2.82Å; A168-S228 WeakPolarHBondContact CB-OG 3.35Å
169D97.3Very high97.1Very high42 Ų4234.2 Ų34.223%0.22518%0.181CC..Hα-helixtrans-63.4-43.9174.5-74-46.3000111.6S165 V167 R172 E173S165-D169 WeakPolarHBondContact CB-OD2 3.47Å; S165-D169 WeakPolarHBondContact O-CB 3.27Å; S165-D169 PolarHBondContact O-N 2.96Å; S165-D169 PolarHBondContact OG-OD2 2.97Å; V167-D169 PolarHBondContact O-N 3.42Å; D169-R172 WeakPolarHBondContact O-CB 3.24Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD1-CZ 2.9Å; D169-R172 IonicContact OD1-NH1 3.27Å; D169-R172 PolarHBondContact OD1-NH1 2.93Å; D169-R172 IonicContact OD1-NH2 2.71Å; D169-R172 PolarHBondContact OD1-NH2 3.17Å; D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.87Å; D169-E173 VanDerWaalsContact O-N 3.12Å
170A96.7Very high96.8Very high28 Ų2835.5 Ų35.523%0.23119%0.192CC..Hα-helixtrans-62.3-43.9174.900000111.7R166 V167 R172 E173 R174 V212R166-A170 VanDerWaalsContact O-CB 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.14Å; V167-A170 PolarHBondContact O-N 3.06Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.34Å; A170-E173 PolarHBondContact O-N 3.46Å; A170-R174 VanDerWaalsContact O-CB 3.27Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 WeakPolarHBondContact O-CG 3.45Å; A170-R174 PolarHBondContact O-N 2.79Å; A170-V212 HydrophobicContact CB-CG2 3.99Å
171C98.4Very high96.6Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-60.1-43.1174.4-72.60000111.9Y159 V167 A168 E173 R174 L175 I301Y159-C171 HydrophobicContact CD1-CB 3.5Å; Y159-C171 VanDerWaalsContact CD1-CB 3.5Å; Y159-C171 HydrophobicContact CD2-CB 4.16Å; Y159-C171 HydrophobicContact CE1-CB 3.68Å; Y159-C171 HydrophobicContact CE2-CB 4.32Å; Y159-C171 HydrophobicContact CG-CB 3.73Å; Y159-C171 PolarHBondContact OH-O 2.84Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 3.29Å; V167-C171 PolarHBondContact O-SG 2.82Å; A168-C171 PolarHBondContact O-N 2.93Å; C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 3.3Å; C171-R174 PolarHBondContact O-N 2.8Å; C171-L175 VanDerWaalsContact O-CB 3.24Å; C171-L175 WeakPolarHBondContact O-CB 3.2Å; C171-L175 PolarHBondContact O-N 3.06Å; C171-I301 VanDerWaalsContact SG-CD1 3.59Å
172R98.2Very high96.4Very high86 Ų8638.9 Ų38.933%0.32521%0.207SC..Hα-helixtrans-55.2-43.6174.8178.4-176.668.8-138.5-8.2112.2A127 V128 A129 Y159 A168 D169 A170 H176A127-R172 HydrophobicContact CB-CB 4.14Å; V128-R172 WeakPolarHBondContact O-CD 3.22Å; V128-R172 WeakPolarHBondContact O-CG 3.47Å; A129-R172 HydrophobicContact CB-CG 4.18Å; Y159-R172 HydrophobicContact CD2-CB 4.13Å; Y159-R172 VanDerWaalsContact CE2-CA 3.44Å; Y159-R172 HydrophobicContact CE2-CB 4.04Å; A168-R172 PolarHBondContact O-N 2.82Å; D169-R172 WeakPolarHBondContact O-CB 3.24Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD1-CZ 2.9Å; D169-R172 IonicContact OD1-NH1 3.27Å; D169-R172 PolarHBondContact OD1-NH1 2.93Å; D169-R172 IonicContact OD1-NH2 2.71Å; D169-R172 PolarHBondContact OD1-NH2 3.17Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.34Å; R172-H176 PolarHBondContact O-CE1 2.99Å; R172-H176 PolarHBondContact O-ND1 3.28Å
173E97.2Very high96.1Very high119 Ų11937.4 Ų37.456%0.55620%0.2SC*.Hα-helixtrans-82.1-34.2-175.9-68.9175-170.100113.5D169 A170 C171 H176D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.87Å; D169-E173 VanDerWaalsContact O-N 3.12Å; A170-E173 PolarHBondContact O-N 3.46Å; C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 3.3Å; E173-H176 PolarHBondContact O-CE1 2.92Å; E173-H176 VanDerWaalsContact O-CE1 3.27Å
174R97.4Very high95.8Very high81 Ų8137.7 Ų37.731%0.30620%0.197SC..Hα-helixtrans-107.9-35.1-166.6-63-63.6-60.4139.93.7114.7A170 C171 H176 V177 V178 E211A170-R174 VanDerWaalsContact O-CB 3.27Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 WeakPolarHBondContact O-CG 3.45Å; A170-R174 PolarHBondContact O-N 2.79Å; C171-R174 PolarHBondContact O-N 2.8Å; R174-H176 PolarHBondContact O-N 3.04Å; R174-V177 WeakPolarHBondContact O-CB 3.35Å; R174-V177 PolarHBondContact O-N 2.77Å; R174-V178 WeakPolarHBondContact O-CG2 3.24Å; R174-V178 PolarHBondContact O-N 2.79Å; R174-E211 IonicContact CZ-OE2 2.69Å; R174-E211 IonicContact NE-OE2 3.39Å; R174-E211 PolarHBondContact NE-OE2 2.92Å; R174-E211 IonicContact NH2-OE1 3.75Å; R174-E211 PolarHBondContact NH2-OE1 3.27Å; R174-E211 IonicContact NH2-OE2 3.16Å; R174-E211 PolarHBondContact NH2-OE2 2.66Å
175L98.1Very high95.4Very high0 Ų043.5 Ų43.50%022%0.215CC..Hα-helixtrans-62.5-46.8-165.3-161.6159.6000112.3F155 Y159 C171 V177 V178 L179 C204 F205 V208 A230 V232 I301F155-L175 HydrophobicContact CE2-CD2 3.94Å; F155-L175 HydrophobicContact CZ-CD2 3.96Å; Y159-L175 HydrophobicContact CE1-CD1 3.91Å; C171-L175 VanDerWaalsContact O-CB 3.24Å; C171-L175 WeakPolarHBondContact O-CB 3.2Å; C171-L175 PolarHBondContact O-N 3.06Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.84Å; L175-V178 PolarHBondContact O-N 3.47Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 PolarHBondContact O-N 3.34Å; L175-C204 PolarHBondContact O-SG 2.93Å; L175-F205 HydrophobicContact CD1-CD2 4.45Å; L175-F205 HydrophobicContact CD1-CE2 4.07Å; L175-F205 HydrophobicContact CD1-CZ 4.15Å; L175-F205 HydrophobicContact CD2-CE2 4.17Å; L175-V208 HydrophobicContact CB-CG2 4.3Å; L175-V208 HydrophobicContact CG-CG2 4.24Å; L175-A230 HydrophobicContact CD1-CB 4.21Å; L175-V232 HydrophobicContact CD1-CG2 4.1Å; L175-V232 HydrophobicContact CD2-CG2 3.79Å; L175-I301 HydrophobicContact CD1-CD1 4.17Å
176H97.4Very high94.9Very high47 Ų4742.9 Ų42.922%0.21821%0.208CC..Hα-helixtrans-62.3-39.4175.364.2-74.5000112.2F134 F155 R172 E173 R174 L179 A180F134-H176 HydrophobicContact CD2-CB 4.47Å; F134-H176 HydrophobicContact CE2-CB 4.23Å; F134-H176 WeakPolarHBondContact CE2-O 3.04Å; F155-H176 HydrophobicContact CD1-CB 3.83Å; F155-H176 HydrophobicContact CD2-CB 3.9Å; F155-H176 HydrophobicContact CE1-CB 3.77Å; F155-H176 HydrophobicContact CE2-CB 3.78Å; F155-H176 HydrophobicContact CG-CB 3.93Å; F155-H176 HydrophobicContact CZ-CB 3.74Å; R172-H176 PolarHBondContact O-CE1 2.99Å; R172-H176 PolarHBondContact O-ND1 3.28Å; E173-H176 PolarHBondContact O-CE1 2.92Å; E173-H176 VanDerWaalsContact O-CE1 3.27Å; R174-H176 PolarHBondContact O-N 3.04Å; H176-L179 PolarHBondContact O-N 3.22Å; H176-A180 PolarHBondContact O-N 3.28Å
177V97Very high94Very high48 Ų4844 Ų4429%0.29122%0.218SC..Hα-helixtrans-63.1-50.6177.5-178.50000111.1R174 L175 L179 A180 E181R174-V177 WeakPolarHBondContact O-CB 3.35Å; R174-V177 PolarHBondContact O-N 2.77Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.84Å; V177-L179 VanDerWaalsContact C-N 3.3Å; V177-L179 PolarHBondContact O-N 3.12Å; V177-A180 PolarHBondContact O-N 3.32Å; V177-E181 WeakPolarHBondContact O-CG 3.35Å; V177-E181 PolarHBondContact O-N 2.92Å; V177-E181 VanDerWaalsContact O-N 3.12Å
178V97.3Very high93Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-61.8-40.6177.9175.50000110.6R174 L175 A180 E181 E182 C204 R207 V208R174-V178 WeakPolarHBondContact O-CG2 3.24Å; R174-V178 PolarHBondContact O-N 2.79Å; L175-V178 PolarHBondContact O-N 3.47Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 2.84Å; V178-E181 WeakPolarHBondContact O-CB 3.35Å; V178-E181 PolarHBondContact O-N 3.35Å; V178-E181 VanDerWaalsContact O-N 3.16Å; V178-E182 HydrophobicContact CG1-CG 4.26Å; V178-E182 WeakPolarHBondContact O-CG 3.35Å; V178-E182 PolarHBondContact O-N 2.87Å; V178-C204 HydrophobicContact CG1-CB 4.44Å; V178-R207 HydrophobicContact CG1-CB 3.99Å; V178-R207 HydrophobicContact CG1-CG 3.96Å; V178-V208 HydrophobicContact CB-CG2 3.93Å; V178-V208 HydrophobicContact CG1-CG2 4.13Å; V178-V208 HydrophobicContact CG2-CG2 3.94Å
179L96.4Very high91.1Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-60.5-42.6176.9-176.460.5000111.9F134 F155 L175 H176 V177 E181 E182 V183 V200 M201 C204 V234F134-L179 HydrophobicContact CE1-CD2 3.92Å; F134-L179 HydrophobicContact CE1-CG 4.22Å; F134-L179 HydrophobicContact CZ-CB 3.96Å; F134-L179 HydrophobicContact CZ-CD2 3.75Å; F134-L179 HydrophobicContact CZ-CG 3.74Å; F155-L179 HydrophobicContact CD2-CD2 3.9Å; F155-L179 HydrophobicContact CE2-CD2 3.84Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 PolarHBondContact O-N 3.34Å; H176-L179 PolarHBondContact O-N 3.22Å; V177-L179 VanDerWaalsContact C-N 3.3Å; V177-L179 PolarHBondContact O-N 3.12Å; L179-E181 VanDerWaalsContact C-N 3.31Å; L179-E181 PolarHBondContact O-N 3.07Å; L179-E182 PolarHBondContact O-N 2.88Å; L179-V183 HydrophobicContact CD1-CG2 4.45Å; L179-V183 WeakPolarHBondContact O-CB 3.45Å; L179-V183 VanDerWaalsContact O-CG2 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.49Å; L179-V200 HydrophobicContact CD1-CG1 3.61Å; L179-M201 HydrophobicContact CD1-CE 4.23Å; L179-M201 HydrophobicContact CD1-SD 3.6Å; L179-M201 HydrophobicContact CD2-CE 3.87Å; L179-M201 HydrophobicContact CD2-SD 3.97Å; L179-M201 HydrophobicContact CG-SD 4.46Å; L179-C204 HydrophobicContact CB-CB 4.4Å; L179-C204 HydrophobicContact CD1-CB 3.94Å; L179-C204 PolarHBondContact N-SG 3.46Å; L179-V234 HydrophobicContact CD2-CG2 3.78Å
180A93.8Very high89.1Confident28 Ų2855.2 Ų55.223%0.23127%0.271CS..Hα-helixtrans-62.4-40.3176.300000111.8F134 L135 H176 V177 V178 V183 A184F134-A180 HydrophobicContact CE2-CB 3.79Å; F134-A180 HydrophobicContact CZ-CB 4.07Å; L135-A180 HydrophobicContact CD2-CB 3.96Å; H176-A180 PolarHBondContact O-N 3.28Å; V177-A180 PolarHBondContact O-N 3.32Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 2.84Å; A180-V183 PolarHBondContact O-N 3.17Å; A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 2.91Å
181E94.3Very high87Confident76 Ų7656.9 Ų56.936%0.35529%0.291SS..Hα-helixtrans-64.4-43.3175.6-66.6171-169.300111.8V177 V178 L179 A184 R185 R207V177-E181 WeakPolarHBondContact O-CG 3.35Å; V177-E181 PolarHBondContact O-N 2.92Å; V177-E181 VanDerWaalsContact O-N 3.12Å; V178-E181 WeakPolarHBondContact O-CB 3.35Å; V178-E181 PolarHBondContact O-N 3.35Å; V178-E181 VanDerWaalsContact O-N 3.16Å; L179-E181 VanDerWaalsContact C-N 3.31Å; L179-E181 PolarHBondContact O-N 3.07Å; E181-A184 PolarHBondContact O-N 2.86Å; E181-R185 VanDerWaalsContact O-CB 3.29Å; E181-R185 WeakPolarHBondContact O-CB 3.37Å; E181-R185 PolarHBondContact O-N 2.85Å; E181-R207 IonicContact OE2-CZ 3.87Å; E181-R207 IonicContact OE2-NH1 2.66Å; E181-R207 PolarHBondContact OE2-NH1 2.79Å; E181-R207 IonicContact OE2-NH2 3.06Å; E181-R207 PolarHBondContact OE2-NH2 3.22Å
182E94Very high85.1Confident11 Ų1157.3 Ų57.35%0.05130%0.296CS..Hα-helixtrans-66.3-39.4176.6-67.4-52.2138.100112V178 L179 A184 R185 L186 V200 A203 C204 R207V178-E182 HydrophobicContact CG1-CG 4.26Å; V178-E182 WeakPolarHBondContact O-CG 3.35Å; V178-E182 PolarHBondContact O-N 2.87Å; L179-E182 PolarHBondContact O-N 2.88Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.78Å; E182-R185 PolarHBondContact O-N 3.43Å; E182-R185 IonicContact OE1-NE 2.76Å; E182-R185 IonicContact OE2-CZ 3.2Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 PolarHBondContact OE2-NE 3.11Å; E182-R185 IonicContact OE2-NH2 2.98Å; E182-R185 PolarHBondContact OE2-NH2 2.98Å; E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 3.27Å; E182-V200 HydrophobicContact CB-CG1 4.13Å; E182-A203 HydrophobicContact CG-CB 4.27Å; E182-C204 HydrophobicContact CG-CB 4.21Å; E182-R207 IonicContact OE1-NH1 2.97Å; E182-R207 PolarHBondContact OE1-NH1 2.78Å
183V90.3Very high83.7Confident4 Ų458 Ų582%0.02431%0.306CS..Hα-helixtrans-59.7-43.8173.11650000111.2L135 L179 A180 H187 L188 V189 W197 V200L135-V183 HydrophobicContact CD1-CB 4.06Å; L135-V183 HydrophobicContact CD1-CG1 3.61Å; L135-V183 HydrophobicContact CD1-CG2 3.96Å; L135-V183 HydrophobicContact CD2-CG1 4.4Å; L179-V183 HydrophobicContact CD1-CG2 4.45Å; L179-V183 WeakPolarHBondContact O-CB 3.45Å; L179-V183 VanDerWaalsContact O-CG2 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.49Å; A180-V183 PolarHBondContact O-N 3.17Å; V183-H187 PolarHBondContact O-N 3.44Å; V183-H187 VanDerWaalsContact O-N 3.13Å; V183-L188 HydrophobicContact CG1-CB 4.02Å; V183-L188 HydrophobicContact CG2-CD2 4.13Å; V183-L188 PolarHBondContact O-N 2.91Å; V183-L188 VanDerWaalsContact O-N 3.11Å; V183-V189 HydrophobicContact CG1-CG2 4.14Å; V183-W197 HydrophobicContact CG2-CH2 4.46Å; V183-W197 HydrophobicContact CG2-CZ3 4.21Å; V183-V200 HydrophobicContact CG2-CG1 3.57Å
184A88.2Confident82.8Confident62 Ų6253.4 Ų53.451%0.51229%0.291SS..Hα-helixtrans-66.1-48.6176.700000111.4A180 E181 E182 L186 H187A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 2.91Å; E181-A184 PolarHBondContact O-N 2.86Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.78Å; A184-L186 PolarHBondContact O-N 2.75Å; A184-H187 PolarHBondContact O-N 2.81Å; A184-H187 VanDerWaalsContact O-N 3.14Å
185R87Confident82.1Confident136 Ų13651.9 Ų51.951%0.51330%0.296SS..Hα-helixtrans-59.6-43.7-179.6-171.5-174.868.677-0.2112.1E181 E182 H187E181-R185 VanDerWaalsContact O-CB 3.29Å; E181-R185 WeakPolarHBondContact O-CB 3.37Å; E181-R185 PolarHBondContact O-N 2.85Å; E182-R185 PolarHBondContact O-N 3.43Å; E182-R185 IonicContact OE1-NE 2.76Å; E182-R185 IonicContact OE2-CZ 3.2Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 PolarHBondContact OE2-NE 3.11Å; E182-R185 IonicContact OE2-NH2 2.98Å; E182-R185 PolarHBondContact OE2-NH2 2.98Å; R185-H187 VanDerWaalsContact C-N 3.3Å; R185-H187 PolarHBondContact O-CE1 3.44Å; R185-H187 PolarHBondContact O-N 3.15Å; R185-H187 PolarHBondContact O-ND1 3.23Å
186L83.3Confident81.6Confident26 Ų2655.8 Ų55.814%0.13631%0.311CS..THydrogen-bonded Turntrans-89.38.6-179.5-65.3173.9000113.2E182 A184 L188 R196 E199 V200E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 3.27Å; A184-L186 PolarHBondContact O-N 2.75Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.47Å; L186-R196 PolarHBondContact O-NH2 2.91Å; L186-E199 HydrophobicContact CD1-CG 3.98Å; L186-V200 HydrophobicContact CB-CG2 3.82Å; L186-V200 HydrophobicContact CD1-CB 4.24Å; L186-V200 HydrophobicContact CD1-CG2 3.46Å; L186-V200 VanDerWaalsContact CD1-CG2 3.46Å; L186-V200 HydrophobicContact CG-CG2 4.24Å
187H76Confident81.3Confident131 Ų13154.2 Ų54.261%0.60630%0.303SS*.THydrogen-bonded Turntrans52.139.2173.3-60.381000114.2V183 A184 R185 V189 R196V183-H187 PolarHBondContact O-N 3.44Å; V183-H187 VanDerWaalsContact O-N 3.13Å; A184-H187 PolarHBondContact O-N 2.81Å; A184-H187 VanDerWaalsContact O-N 3.14Å; R185-H187 VanDerWaalsContact C-N 3.3Å; R185-H187 PolarHBondContact O-CE1 3.44Å; R185-H187 PolarHBondContact O-N 3.15Å; R185-H187 PolarHBondContact O-ND1 3.23Å; H187-V189 PolarHBondContact O-N 3.46Å; H187-R196 PolarHBondContact O-NH2 3.14Å
188L75.8Confident81.1Confident7 Ų757.1 Ų57.14%0.03731%0.309CS..G310 helixtrans-69.4-18.5-172.6-162.375.5000113.7V183 L186 K190 G191 G192 R196 W197 V200V183-L188 HydrophobicContact CG1-CB 4.02Å; V183-L188 HydrophobicContact CG2-CD2 4.13Å; V183-L188 PolarHBondContact O-N 2.91Å; V183-L188 VanDerWaalsContact O-N 3.11Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.47Å; L188-K190 PolarHBondContact O-N 2.92Å; L188-G191 PolarHBondContact O-N 3.26Å; L188-G192 PolarHBondContact O-N 3.02Å; L188-R196 HydrophobicContact CD1-CB 3.23Å; L188-R196 HydrophobicContact CD1-CG 4.43Å; L188-W197 HydrophobicContact CD2-CD2 3.4Å; L188-W197 HydrophobicContact CD2-CE3 3.49Å; L188-W197 VanDerWaalsContact CD2-CE3 3.49Å; L188-W197 HydrophobicContact CD2-CG 4.09Å; L188-W197 HydrophobicContact CD2-CH2 3.57Å; L188-W197 HydrophobicContact CD2-CZ2 3.47Å; L188-W197 VanDerWaalsContact CD2-CZ2 3.47Å; L188-W197 HydrophobicContact CD2-CZ3 3.57Å; L188-V200 HydrophobicContact CB-CG2 4.48Å; L188-V200 HydrophobicContact CD1-CG2 4.17Å; L188-V200 HydrophobicContact CD2-CG2 4.16Å
189V60Low80.9Confident79 Ų7961.9 Ų61.948%0.47933%0.331SS..G310 helixtrans-59.7-17.1-173.6-172.60000113.2A137 V183 H187 G191A137-V189 HydrophobicContact CB-CG1 3.49Å; A137-V189 VanDerWaalsContact CB-CG1 3.49Å; V183-V189 HydrophobicContact CG1-CG2 4.14Å; H187-V189 PolarHBondContact O-N 3.46Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.38Å
190K53.7Low80.8Confident190 Ų19061.9 Ų61.983%0.82633%0.331SS*.G310 helixtrans-85.426.7179.3-62.7-170.4177.5-175.90115.3L188L188-K190 PolarHBondContact O-N 2.92Å
191G53.2Low81Confident63 Ų6360.6 Ų60.665%0.64932%0.32SS*.THydrogen-bonded Turntrans85.948.4177.600000114L188 V189 D193L188-G191 PolarHBondContact O-N 3.26Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.38Å; G191-D193 PolarHBondContact O-N 3.4Å
192G58Low81.1Confident10 Ų1060.5 Ų60.510%0.10332%0.32CS..  trans-50.7133.6177.300000113.4L188L188-G192 PolarHBondContact O-N 3.02Å
193D70.6Confident81.3Confident99 Ų9961.2 Ų61.253%0.52933%0.327SS..  trans-71174.7168.564.325.5000110.8G191 A195 R196 W197G191-D193 PolarHBondContact O-N 3.4Å; D193-A195 PolarHBondContact O-N 3.45Å; D193-A195 VanDerWaalsContact O-N 3.14Å; D193-A195 WeakPolarHBondContact OD1-CB 3.44Å; D193-A195 PolarHBondContact OD1-N 3.24Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 PolarHBondContact OD1-N 2.99Å; D193-W197 PolarHBondContact O-N 2.85Å
194G77.8Confident81.7Confident24 Ų2461 Ų6125%0.24733%0.326CS..Hα-helixtrans-59-26.3-179.500000114R198G194-R198 WeakPolarHBondContact O-CG 3.22Å; G194-R198 PolarHBondContact O-N 3.04Å; G194-R198 PolarHBondContact O-NH1 2.9Å
195A82.2Confident82.2Confident49 Ų4958.1 Ų58.141%0.40530%0.302SS..Hα-helixtrans-72.5-40.7-179.700000111.9D193 W197 R198 E199D193-A195 PolarHBondContact O-N 3.45Å; D193-A195 VanDerWaalsContact O-N 3.14Å; D193-A195 WeakPolarHBondContact OD1-CB 3.44Å; D193-A195 PolarHBondContact OD1-N 3.24Å; A195-W197 VanDerWaalsContact C-N 3.33Å; A195-W197 PolarHBondContact O-N 3.07Å; A195-R198 WeakPolarHBondContact O-CB 3.48Å; A195-R198 PolarHBondContact O-N 2.94Å; A195-R198 VanDerWaalsContact O-N 3.15Å; A195-E199 PolarHBondContact O-N 3.47Å; A195-E199 VanDerWaalsContact O-N 3.16Å
196R87.3Confident82.7Confident82 Ų8254.6 Ų54.631%0.30930%0.302SS..Hα-helixtrans-68.2-32.8178.5-62.4179.666.7178.40.3112.8L186 H187 L188 D193 R198 E199 V200L186-R196 PolarHBondContact O-NH2 2.91Å; H187-R196 PolarHBondContact O-NH2 3.14Å; L188-R196 HydrophobicContact CD1-CB 3.23Å; L188-R196 HydrophobicContact CD1-CG 4.43Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 PolarHBondContact OD1-N 2.99Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R196-E199 PolarHBondContact O-N 3.37Å; R196-V200 WeakPolarHBondContact O-CB 3.47Å; R196-V200 VanDerWaalsContact O-CG2 3.27Å; R196-V200 WeakPolarHBondContact O-CG2 3.25Å; R196-V200 PolarHBondContact O-N 3.48Å; R196-V200 VanDerWaalsContact O-N 3.07Å
197W90.9Very high83.4Confident14 Ų1457.3 Ų57.35%0.05331%0.31CS..Hα-helixtrans-64-36.2171.5-86.8110.1000112.6M153 V183 L188 D193 A195 M201 V234 V241 V318M153-W197 HydrophobicContact CE-CZ2 4.07Å; M153-W197 HydrophobicContact SD-CH2 3.82Å; M153-W197 HydrophobicContact SD-CZ2 3.8Å; V183-W197 HydrophobicContact CG2-CH2 4.46Å; V183-W197 HydrophobicContact CG2-CZ3 4.21Å; L188-W197 HydrophobicContact CD2-CD2 3.4Å; L188-W197 HydrophobicContact CD2-CE3 3.49Å; L188-W197 VanDerWaalsContact CD2-CE3 3.49Å; L188-W197 HydrophobicContact CD2-CG 4.09Å; L188-W197 HydrophobicContact CD2-CH2 3.57Å; L188-W197 HydrophobicContact CD2-CZ2 3.47Å; L188-W197 VanDerWaalsContact CD2-CZ2 3.47Å; L188-W197 HydrophobicContact CD2-CZ3 3.57Å; D193-W197 PolarHBondContact O-N 2.85Å; A195-W197 VanDerWaalsContact C-N 3.33Å; A195-W197 PolarHBondContact O-N 3.07Å; W197-M201 HydrophobicContact CE3-CE 4.21Å; W197-M201 HydrophobicContact CZ3-CE 4.24Å; W197-M201 WeakPolarHBondContact O-CB 3.47Å; W197-M201 VanDerWaalsContact O-CG 3.22Å; W197-M201 WeakPolarHBondContact O-CG 3.23Å; W197-M201 PolarHBondContact O-N 2.97Å; W197-V234 HydrophobicContact CH2-CG1 4Å; W197-V234 HydrophobicContact CZ3-CG1 4.46Å; W197-V241 HydrophobicContact CB-CG1 4.11Å; W197-V241 HydrophobicContact CB-CG2 4.48Å; W197-V241 HydrophobicContact CD2-CB 4.27Å; W197-V241 HydrophobicContact CD2-CG1 4.01Å; W197-V241 HydrophobicContact CD2-CG2 3.59Å; W197-V241 HydrophobicContact CE3-CB 4.33Å; W197-V241 HydrophobicContact CE3-CG1 3.91Å; W197-V241 HydrophobicContact CE3-CG2 4.12Å; W197-V241 HydrophobicContact CG-CG1 4.14Å; W197-V241 HydrophobicContact CG-CG2 3.77Å; W197-V241 HydrophobicContact CZ2-CG2 4.29Å; W197-V318 HydrophobicContact CB-CG2 3.75Å; W197-V318 HydrophobicContact CG-CG2 4.33Å
198R93.2Very high84.4Confident109 Ų10951.1 Ų51.141%0.41128%0.282SS..Hα-helixtrans-61.8-52.9174.1-66-168.2-82.8-82.3-0.5111G194 A195 R196 V200 M201 E202 V316G194-R198 WeakPolarHBondContact O-CG 3.22Å; G194-R198 PolarHBondContact O-N 3.04Å; G194-R198 PolarHBondContact O-NH1 2.9Å; A195-R198 WeakPolarHBondContact O-CB 3.48Å; A195-R198 PolarHBondContact O-N 2.94Å; A195-R198 VanDerWaalsContact O-N 3.15Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.46Å; R198-M201 PolarHBondContact O-N 3.28Å; R198-M201 VanDerWaalsContact O-N 3.14Å; R198-E202 WeakPolarHBondContact O-CB 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.35Å; R198-E202 PolarHBondContact O-N 3.44Å; R198-V316 HydrophobicContact CB-CB 4.46Å; R198-V316 HydrophobicContact CG-CB 3.91Å; R198-V316 HydrophobicContact CG-CG1 3.97Å
199E93.7Very high85.5Confident100 Ų10051.7 Ų51.747%0.46729%0.285SS..Hα-helixtrans-55.7-45179.5-173.7-172.9174.200112.3L186 A195 R196 A203L186-E199 HydrophobicContact CD1-CG 3.98Å; A195-E199 PolarHBondContact O-N 3.47Å; A195-E199 VanDerWaalsContact O-N 3.16Å; R196-E199 PolarHBondContact O-N 3.37Å; E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.29Å; E199-A203 PolarHBondContact O-N 3.45Å
200V94.3Very high87.2Confident0 Ų049.7 Ų49.70%028%0.28CS..Hα-helixtrans-63.8-44.3178.7166.20000112.1L179 E182 V183 L186 L188 R196 R198 C204L179-V200 HydrophobicContact CD1-CG1 3.61Å; E182-V200 HydrophobicContact CB-CG1 4.13Å; V183-V200 HydrophobicContact CG2-CG1 3.57Å; L186-V200 HydrophobicContact CB-CG2 3.82Å; L186-V200 HydrophobicContact CD1-CB 4.24Å; L186-V200 HydrophobicContact CD1-CG2 3.46Å; L186-V200 VanDerWaalsContact CD1-CG2 3.46Å; L186-V200 HydrophobicContact CG-CG2 4.24Å; L188-V200 HydrophobicContact CB-CG2 4.48Å; L188-V200 HydrophobicContact CD1-CG2 4.17Å; L188-V200 HydrophobicContact CD2-CG2 4.16Å; R196-V200 WeakPolarHBondContact O-CB 3.47Å; R196-V200 VanDerWaalsContact O-CG2 3.27Å; R196-V200 WeakPolarHBondContact O-CG2 3.25Å; R196-V200 PolarHBondContact O-N 3.48Å; R196-V200 VanDerWaalsContact O-N 3.07Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.46Å; V200-C204 VanDerWaalsContact O-CB 3.28Å; V200-C204 WeakPolarHBondContact O-CB 3.41Å; V200-C204 PolarHBondContact O-N 2.79Å
201M96.9Very high89.1Confident0 Ų043.4 Ų43.40%025%0.254CS..Hα-helixtrans-69.5-43.3-179.6-73.2-67.6-170.900111.5L179 W197 R198 C204 F205 V234 V241 A243 V316L179-M201 HydrophobicContact CD1-CE 4.23Å; L179-M201 HydrophobicContact CD1-SD 3.6Å; L179-M201 HydrophobicContact CD2-CE 3.87Å; L179-M201 HydrophobicContact CD2-SD 3.97Å; L179-M201 HydrophobicContact CG-SD 4.46Å; W197-M201 HydrophobicContact CE3-CE 4.21Å; W197-M201 HydrophobicContact CZ3-CE 4.24Å; W197-M201 WeakPolarHBondContact O-CB 3.47Å; W197-M201 VanDerWaalsContact O-CG 3.22Å; W197-M201 WeakPolarHBondContact O-CG 3.23Å; W197-M201 PolarHBondContact O-N 2.97Å; R198-M201 PolarHBondContact O-N 3.28Å; R198-M201 VanDerWaalsContact O-N 3.14Å; M201-C204 WeakPolarHBondContact O-CB 3.48Å; M201-C204 PolarHBondContact O-N 2.65Å; M201-F205 VanDerWaalsContact O-CD2 3.23Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.85Å; M201-V234 HydrophobicContact CE-CB 4.4Å; M201-V234 HydrophobicContact CE-CG2 3.75Å; M201-V241 HydrophobicContact CE-CB 4.39Å; M201-V241 HydrophobicContact CE-CG1 3.71Å; M201-V241 HydrophobicContact CG-CG1 4.44Å; M201-A243 HydrophobicContact CB-CB 4.05Å; M201-A243 HydrophobicContact CE-CB 4.47Å; M201-A243 HydrophobicContact CG-CB 3.97Å; M201-A243 HydrophobicContact SD-CB 3.76Å; M201-V316 HydrophobicContact CB-CG1 4.29Å; M201-V316 HydrophobicContact CB-CG2 3.54Å; M201-V316 HydrophobicContact CG-CG1 4.12Å; M201-V316 HydrophobicContact CG-CG2 4.19Å
202E97.4Very high91Very high75 Ų7540.8 Ų40.835%0.3523%0.225SC..Hα-helixtrans-60.6-46.8175.3-72.3163.8-163.500111.1R198 C204 F205 A206 P314R198-E202 WeakPolarHBondContact O-CB 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.35Å; R198-E202 PolarHBondContact O-N 3.44Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 3.24Å; E202-F205 PolarHBondContact O-N 2.91Å; E202-A206 VanDerWaalsContact O-CB 3.29Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.98Å; E202-P314 HydrophobicContact CG-CG 4.28Å
203A97.3Very high92.6Very high26 Ų2641.7 Ų41.722%0.21523%0.232CC..Hα-helixtrans-61-41.1175.800000112.1E182 E199 R207E182-A203 HydrophobicContact CG-CB 4.27Å; E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.29Å; E199-A203 PolarHBondContact O-N 3.45Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.33Å; A203-R207 PolarHBondContact O-N 3.08Å
204C98.2Very high93.4Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-62.3-50.71771760000111.7L175 V178 L179 E182 V200 M201 E202 R207 V208L175-C204 PolarHBondContact O-SG 2.93Å; V178-C204 HydrophobicContact CG1-CB 4.44Å; L179-C204 HydrophobicContact CB-CB 4.4Å; L179-C204 HydrophobicContact CD1-CB 3.94Å; L179-C204 PolarHBondContact N-SG 3.46Å; E182-C204 HydrophobicContact CG-CB 4.21Å; V200-C204 VanDerWaalsContact O-CB 3.28Å; V200-C204 WeakPolarHBondContact O-CB 3.41Å; V200-C204 PolarHBondContact O-N 2.79Å; M201-C204 WeakPolarHBondContact O-CB 3.48Å; M201-C204 PolarHBondContact O-N 2.65Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 3.24Å; C204-R207 PolarHBondContact O-N 3.04Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.3Å
205F98.6Very high93.6Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-64.3-44-178.8-85.1-123.4000111.1L175 M201 E202 R207 V208 D209 A230 V232 A243 C245 I301 P314L175-F205 HydrophobicContact CD1-CD2 4.45Å; L175-F205 HydrophobicContact CD1-CE2 4.07Å; L175-F205 HydrophobicContact CD1-CZ 4.15Å; L175-F205 HydrophobicContact CD2-CE2 4.17Å; M201-F205 VanDerWaalsContact O-CD2 3.23Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.85Å; E202-F205 PolarHBondContact O-N 2.91Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.38Å; F205-V208 PolarHBondContact O-N 2.89Å; F205-D209 WeakPolarHBondContact O-CB 3.47Å; F205-D209 PolarHBondContact O-N 3.43Å; F205-A230 HydrophobicContact CE1-CB 3.74Å; F205-A230 HydrophobicContact CZ-CB 4.07Å; F205-V232 HydrophobicContact CE2-CG2 4.24Å; F205-V232 HydrophobicContact CZ-CG2 3.97Å; F205-A243 HydrophobicContact CE2-CB 3.76Å; F205-A243 HydrophobicContact CZ-CB 3.85Å; F205-C245 HydrophobicContact CD1-CB 3.73Å; F205-C245 HydrophobicContact CE1-CB 3.5Å; F205-I301 HydrophobicContact CD1-CD1 4.12Å; F205-I301 HydrophobicContact CD1-CG1 4.44Å; F205-I301 HydrophobicContact CE1-CD1 4.44Å; F205-P314 HydrophobicContact CB-CG 3.9Å; F205-P314 HydrophobicContact CD1-CB 3.71Å; F205-P314 HydrophobicContact CD1-CG 3.87Å; F205-P314 HydrophobicContact CD2-CB 4.36Å; F205-P314 HydrophobicContact CD2-CG 4Å; F205-P314 HydrophobicContact CE1-CB 3.79Å; F205-P314 HydrophobicContact CE1-CG 4.37Å; F205-P314 HydrophobicContact CE2-CB 4.43Å; F205-P314 HydrophobicContact CE2-CG 4.49Å; F205-P314 HydrophobicContact CG-CB 4Å; F205-P314 HydrophobicContact CG-CG 3.66Å; F205-P314 HydrophobicContact CZ-CB 4.16Å
206A98.1Very high93.4Very high62 Ų6241.8 Ų41.851%0.51223%0.226SC..Hα-helixtrans-60.6-39.7176.200000112.2E202 G210E202-A206 VanDerWaalsContact O-CB 3.29Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.98Å; A206-G210 PolarHBondContact O-N 2.88Å
207R97.9Very high92.9Very high83 Ų8339.5 Ų39.531%0.31323%0.227SC..Hα-helixtrans-70.9-42178-179171.6160.6-155.5-6.4112.4V178 E181 E182 A203 C204 F205 G210 E211V178-R207 HydrophobicContact CG1-CB 3.99Å; V178-R207 HydrophobicContact CG1-CG 3.96Å; E181-R207 IonicContact OE2-CZ 3.87Å; E181-R207 IonicContact OE2-NH1 2.66Å; E181-R207 PolarHBondContact OE2-NH1 2.79Å; E181-R207 IonicContact OE2-NH2 3.06Å; E181-R207 PolarHBondContact OE2-NH2 3.22Å; E182-R207 IonicContact OE1-NH1 2.97Å; E182-R207 PolarHBondContact OE1-NH1 2.78Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.33Å; A203-R207 PolarHBondContact O-N 3.08Å; C204-R207 PolarHBondContact O-N 3.04Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.38Å; R207-G210 PolarHBondContact O-N 2.87Å; R207-G210 VanDerWaalsContact O-N 3.17Å; R207-E211 IonicContact CZ-OE1 3.46Å; R207-E211 IonicContact NE-OE1 3.34Å; R207-E211 PolarHBondContact NE-OE1 2.84Å; R207-E211 VanDerWaalsContact NE-OE1 3.16Å; R207-E211 IonicContact NH2-OE1 3.67Å; R207-E211 PolarHBondContact NH2-OE1 3.46Å; R207-E211 WeakPolarHBondContact O-CG 3.17Å; R207-E211 PolarHBondContact O-N 2.93Å
208V97.9Very high92.2Very high1 Ų146.1 Ų46.11%0.00626%0.259CS..Hα-helixtrans-64.1-42.2175173.50000110.8L175 V178 C204 F205 G210 E211 V212 I301L175-V208 HydrophobicContact CB-CG2 4.3Å; L175-V208 HydrophobicContact CG-CG2 4.24Å; V178-V208 HydrophobicContact CB-CG2 3.93Å; V178-V208 HydrophobicContact CG1-CG2 4.13Å; V178-V208 HydrophobicContact CG2-CG2 3.94Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.3Å; F205-V208 PolarHBondContact O-N 2.89Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 2.86Å; V208-E211 PolarHBondContact O-N 3.12Å; V208-V212 HydrophobicContact CG1-CG2 4.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.35Å; V208-V212 PolarHBondContact O-N 3.34Å; V208-I301 HydrophobicContact CG1-CD1 4.3Å; V208-I301 HydrophobicContact CG1-CG2 4.43Å
209D97.5Very high91.2Very high20 Ų2045.3 Ų45.311%0.10727%0.266CS..Hα-helixtrans-60.6-38.7171.6-171.474.5000111.1F205 A213 I301 G302 Y304 K307 A312F205-D209 WeakPolarHBondContact O-CB 3.47Å; F205-D209 PolarHBondContact O-N 3.43Å; D209-A213 PolarHBondContact O-N 2.5Å; D209-A213 VanDerWaalsContact O-N 3.08Å; D209-I301 HydrophobicContact CB-CG2 4.25Å; D209-G302 PolarHBondContact OD1-N 2.87Å; D209-Y304 PolarHBondContact O-OH 3.08Å; D209-Y304 PolarHBondContact OD1-OH 3.38Å; D209-K307 IonicContact OD1-NZ 3.21Å; D209-K307 PolarHBondContact OD1-NZ 3.5Å; D209-K307 IonicContact OD2-NZ 3.04Å; D209-K307 PolarHBondContact OD2-NZ 2.96Å; D209-A312 HydrophobicContact CB-CB 3.74Å; D209-A312 VanDerWaalsContact CG-CB 3.42Å; D209-A312 WeakPolarHBondContact OD1-CB 3.26Å
210G95.9Very high89.6Confident37 Ų3741.6 Ų41.638%0.38125%0.249SC..Hα-helixtrans-62.4-45.7171.700000113.6A206 R207 V208 A213 V214A206-G210 PolarHBondContact O-N 2.88Å; R207-G210 PolarHBondContact O-N 2.87Å; R207-G210 VanDerWaalsContact O-N 3.17Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 2.86Å; G210-A213 WeakPolarHBondContact O-CB 3.41Å; G210-A213 PolarHBondContact O-N 2.97Å; G210-V214 PolarHBondContact O-N 3.31Å
211E94.7Very high88Confident57 Ų5749.8 Ų49.827%0.26629%0.293SS..Hα-helixtrans-62.4-43.1178.6-72.6-179.6-165.200111.3R174 R207 V208 A213 V214 V215R174-E211 IonicContact CZ-OE2 2.69Å; R174-E211 IonicContact NE-OE2 3.39Å; R174-E211 PolarHBondContact NE-OE2 2.92Å; R174-E211 IonicContact NH2-OE1 3.75Å; R174-E211 PolarHBondContact NH2-OE1 3.27Å; R174-E211 IonicContact NH2-OE2 3.16Å; R174-E211 PolarHBondContact NH2-OE2 2.66Å; R207-E211 IonicContact CZ-OE1 3.46Å; R207-E211 IonicContact NE-OE1 3.34Å; R207-E211 PolarHBondContact NE-OE1 2.84Å; R207-E211 VanDerWaalsContact NE-OE1 3.16Å; R207-E211 IonicContact NH2-OE1 3.67Å; R207-E211 PolarHBondContact NH2-OE1 3.46Å; R207-E211 WeakPolarHBondContact O-CG 3.17Å; R207-E211 PolarHBondContact O-N 2.93Å; V208-E211 PolarHBondContact O-N 3.12Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.43Å; E211-V214 PolarHBondContact O-N 2.86Å; E211-V215 PolarHBondContact O-N 3.01Å
212V93.1Very high85.9Confident8 Ų853.2 Ų53.25%0.04832%0.321CS..Hα-helixtrans-64.8-36.2176.8170.20000111.9V167 A170 V208 V214 V215 E216 I301 Y304V167-V212 HydrophobicContact CB-CG1 4.43Å; V167-V212 HydrophobicContact CG1-CG1 4.08Å; V167-V212 HydrophobicContact CG1-CG2 4.43Å; V167-V212 HydrophobicContact CG2-CG1 3.7Å; A170-V212 HydrophobicContact CB-CG2 3.99Å; V208-V212 HydrophobicContact CG1-CG2 4.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.35Å; V208-V212 PolarHBondContact O-N 3.34Å; V212-V214 VanDerWaalsContact C-N 3.28Å; V212-V214 PolarHBondContact O-N 2.9Å; V212-V215 PolarHBondContact O-N 3.03Å; V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.41Å; V212-E216 PolarHBondContact O-N 3.34Å; V212-I301 HydrophobicContact CG2-CG2 4.3Å; V212-Y304 HydrophobicContact CG1-CE2 4.25Å
213A91.4Very high84.1Confident30 Ų3051.4 Ų51.425%0.24832%0.322CS..Hα-helixtrans-59.7-41.6-179.900000112D209 G210 E211 G217 Y304D209-A213 PolarHBondContact O-N 2.5Å; D209-A213 VanDerWaalsContact O-N 3.08Å; G210-A213 WeakPolarHBondContact O-CB 3.41Å; G210-A213 PolarHBondContact O-N 2.97Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.43Å; A213-G217 PolarHBondContact O-N 2.96Å; A213-Y304 WeakPolarHBondContact CA-OH 3.42Å; A213-Y304 HydrophobicContact CB-CD1 4.03Å; A213-Y304 HydrophobicContact CB-CE1 3.32Å; A213-Y304 HydrophobicContact CB-CE2 3.95Å; A213-Y304 WeakPolarHBondContact CB-OH 3.18Å; A213-Y304 PolarHBondContact N-OH 3.47Å
214V87.3Confident83.3Confident89 Ų8953.2 Ų53.254%0.53933%0.326SS..Hα-helixtrans-65.6-50.1178.7178.20000109.9G210 E211 V212 G217 E218G210-V214 PolarHBondContact O-N 3.31Å; E211-V214 PolarHBondContact O-N 2.86Å; V212-V214 VanDerWaalsContact C-N 3.28Å; V212-V214 PolarHBondContact O-N 2.9Å; V214-G217 PolarHBondContact O-N 3.25Å; V214-E218 WeakPolarHBondContact O-CG 3.42Å; V214-E218 PolarHBondContact O-N 2.81Å; V214-E218 VanDerWaalsContact O-N 3.12Å
215V81.8Confident83Confident81 Ų8156.1 Ų56.149%0.49134%0.344SS..Hα-helixtrans-64-45.3-178.4177.50000111.7E211 V212 G217 E218 V219E211-V215 PolarHBondContact O-N 3.01Å; V212-V215 PolarHBondContact O-N 3.03Å; V215-G217 VanDerWaalsContact C-N 3.32Å; V215-G217 PolarHBondContact O-N 2.85Å; V215-E218 PolarHBondContact O-N 2.81Å; V215-V219 HydrophobicContact CG1-CG2 4.37Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 2.83Å; V215-V219 VanDerWaalsContact O-N 3.09Å
216E78.2Confident82.8Confident4 Ų456.3 Ų56.32%0.01935%0.345CS..Hα-helixtrans-65.7-35.3178.8-79.9-66.3117.400112R166 V167 V212 E218 N220R166-E216 IonicContact NH1-OE1 3.46Å; V167-E216 HydrophobicContact CG2-CG 4.47Å; V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.41Å; V212-E216 PolarHBondContact O-N 3.34Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 2.9Å; E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact OE2-ND2 2.83Å
217G75.6Confident82.8Confident33 Ų3353.3 Ų53.334%0.3432%0.321SS..Hα-helixtrans-67.3-31.1175.100000114.2A213 V214 V215 H224A213-G217 PolarHBondContact O-N 2.96Å; V214-G217 PolarHBondContact O-N 3.25Å; V215-G217 VanDerWaalsContact C-N 3.32Å; V215-G217 PolarHBondContact O-N 2.85Å; G217-H224 WeakPolarHBondContact CA-CE1 3.48Å
218E77.1Confident82.8Confident154 Ų15449.4 Ų49.472%0.7231%0.306SS*.Hα-helixtrans-79.6-36.9178-71.4179.1169.200112.8V214 V215 E216V214-E218 WeakPolarHBondContact O-CG 3.42Å; V214-E218 PolarHBondContact O-N 2.81Å; V214-E218 VanDerWaalsContact O-N 3.12Å; V215-E218 PolarHBondContact O-N 2.81Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 2.9Å
219V71.3Confident82.8Confident92 Ų9249.4 Ų49.456%0.55831%0.306SS*.Hα-helixtrans-91.4-35.7-173.3-1750000112.3V215V215-V219 HydrophobicContact CG1-CG2 4.37Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 2.83Å; V215-V219 VanDerWaalsContact O-N 3.09Å
220N62Low82.9Confident21 Ų2148.4 Ų48.411%0.11230%0.301CS..  trans-11595.6-174.7-74.7-23.2000111.2R166 E216 A222R166-N220 VanDerWaalsContact CZ-OD1 3.3Å; R166-N220 PolarHBondContact NH1-ND2 3.25Å; R166-N220 PolarHBondContact NH1-OD1 3.27Å; R166-N220 PolarHBondContact NH2-ND2 3.09Å; R166-N220 PolarHBondContact NH2-OD1 3.5Å; E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact OE2-ND2 2.83Å; N220-A222 PolarHBondContact O-N 3.05Å; N220-A222 VanDerWaalsContact O-N 3.09Å
221N59.5Low83.1Confident173 Ų17346.7 Ų46.793%0.92528%0.283SS*.THydrogen-bonded Turntrans-57.6-18154-77.8-14.3000111.4G223N221-G223 PolarHBondContact O-N 3.44Å
222A53.7Low83.2Confident71 Ų7144 Ų4459%0.58727%0.27SS*.THydrogen-bonded Turntrans-84.769.7177.600000111.9N220 H224N220-A222 PolarHBondContact O-N 3.05Å; N220-A222 VanDerWaalsContact O-N 3.09Å; A222-H224 PolarHBondContact O-N 2.88Å
223G59Low83.5Confident37 Ų3743.6 Ų43.638%0.38127%0.268SS..THydrogen-bonded Turntrans79.16.314200000119.6N221 T225 Y305N221-G223 PolarHBondContact O-N 3.44Å; G223-T225 VanDerWaalsContact O-CG2 3.22Å; G223-T225 WeakPolarHBondContact O-CG2 3.34Å; G223-T225 PolarHBondContact O-N 3.31Å; G223-Y305 WeakPolarHBondContact O-CB 3.48Å
224H79.8Confident83.7Confident65 Ų6542.2 Ų42.230%0.30126%0.256SS..THydrogen-bonded Turntrans49.536.1175.8-63.7-86.6000114G217 A222 Y304 Y305G217-H224 WeakPolarHBondContact CA-CE1 3.48Å; A222-H224 PolarHBondContact O-N 2.88Å; H224-Y304 HydrophobicContact CB-CD2 4.12Å; H224-Y304 AromaticContact ND1-CD2 3.9Å; H224-Y304 PolarHBondContact O-N 3.48Å; H224-Y305 VanDerWaalsContact O-CD1 3.25Å; H224-Y305 WeakPolarHBondContact O-CD1 3.42Å
225T92.1Very high84.1Confident60 Ų6038 Ų3837%0.36823%0.231SC..  trans-92.41.5-170.663.30000114.7G223 Y305G223-T225 VanDerWaalsContact O-CG2 3.22Å; G223-T225 WeakPolarHBondContact O-CG2 3.34Å; G223-T225 PolarHBondContact O-N 3.31Å; T225-Y305 HydrophobicContact CG2-CD1 4.13Å; T225-Y305 HydrophobicContact CG2-CD2 4.36Å; T225-Y305 HydrophobicContact CG2-CE1 4.2Å; T225-Y305 HydrophobicContact CG2-CE2 4.42Å; T225-Y305 HydrophobicContact CG2-CG 4.19Å
226V95Very high84.6Confident4 Ų434.5 Ų34.52%0.02421%0.211CC..  trans-91.7137.4179.5-1650000108.7G164 V167 D303G164-V226 WeakPolarHBondContact O-CG1 3.2Å; V167-V226 HydrophobicContact CB-CG1 4.36Å; V167-V226 HydrophobicContact CG2-CB 4Å; V167-V226 HydrophobicContact CG2-CG1 3.76Å; V226-D303 PolarHBondContact O-N 2.89Å
227G97.3Very high85Confident0 Ų036 Ų360%022%0.221CC..EExtended strand (participates in β ladder)trans-148.4175.8175.100000111.8H162 I301 D303H162-G227 PolarHBondContact N-O 3.4Å; H162-G227 WeakPolarHBondContact NE2-CA 3.33Å; H162-G227 PolarHBondContact O-N 3.23Å; G227-I301 CarbonylContact C-O 3.59Å; G227-I301 WeakPolarHBondContact CA-O 3.21Å; G227-D303 WeakPolarHBondContact CA-OD2 3.47Å
228S98.5Very high85.6Confident0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-152.6143.9172.5-170.40000111.4D160 A168 S300 I301D160-S228 VanDerWaalsContact C-OG 3.27Å; D160-S228 CarbonylContact O-C 3.58Å; D160-S228 WeakPolarHBondContact O-CA 3.43Å; D160-S228 PolarHBondContact O-OG 2.87Å; A168-S228 WeakPolarHBondContact CB-OG 3.35Å; S228-S300 WeakPolarHBondContact O-CB 3.49Å; S228-I301 PolarHBondContact N-O 3.3Å; S228-I301 PolarHBondContact O-N 3.21Å
229T98.8Very high86.3Confident1 Ų135.8 Ų35.81%0.00621%0.206CC..  trans-69.8160.2162.277.90000110.2Y159 D160 C245 D247 S248Y159-T229 VanDerWaalsContact CA-O 3.3Å; Y159-T229 WeakPolarHBondContact CA-O 3.23Å; D160-T229 HydrophobicContact CB-CG2 4.12Å; D160-T229 WeakPolarHBondContact CB-OG1 3.32Å; D160-T229 PolarHBondContact N-OG1 3.49Å; D160-T229 PolarHBondContact O-N 3.1Å; T229-C245 CarbonylContact C-O 3.55Å; T229-C245 WeakPolarHBondContact CA-O 3.27Å; T229-D247 VanDerWaalsContact CG2-OD1 3.3Å; T229-D247 WeakPolarHBondContact CG2-OD1 3.15Å; T229-S248 PolarHBondContact OG1-OG 2.84Å
230A98.9Very high87.4Confident0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-143.8116170.500000110.2Y159 L175 F205 N244 C245 I301Y159-A230 HydrophobicContact CD1-CB 3.76Å; Y159-A230 HydrophobicContact CE1-CB 4.03Å; L175-A230 HydrophobicContact CD1-CB 4.21Å; F205-A230 HydrophobicContact CE1-CB 3.74Å; F205-A230 HydrophobicContact CZ-CB 4.07Å; A230-N244 CarbonylContact O-C 3.43Å; A230-N244 WeakPolarHBondContact O-CA 3.41Å; A230-C245 PolarHBondContact N-O 3.25Å; A230-C245 PolarHBondContact O-N 2.84Å; A230-I301 HydrophobicContact CB-CD1 3.98Å
231V98.9Very high89.1Confident0 Ų030.5 Ų30.50%017%0.174CC..EExtended strand (participates in β ladder)trans-111.3121.8164.767.90000109.2A157 V158 V242 N244 A250 L330A157-V231 WeakPolarHBondContact CA-O 3.44Å; A157-V231 WeakPolarHBondContact CB-O 3.3Å; V158-V231 HydrophobicContact CB-CG1 3.91Å; V158-V231 PolarHBondContact N-O 2.85Å; V158-V231 PolarHBondContact O-N 3Å; V231-V242 HydrophobicContact CG2-CG1 4.27Å; V231-N244 HydrophobicContact CG2-CB 4.48Å; V231-A250 HydrophobicContact CG2-CB 3.74Å; V231-L330 HydrophobicContact CG1-CB 4.31Å; V231-L330 HydrophobicContact CG1-CD2 4.31Å
232V98.8Very high90.9Very high0 Ų022.3 Ų22.30%013%0.131CC..EExtended strand (participates in β ladder)trans-122.8137.8-173.8175.50000108.8F155 F156 A157 Y159 L175 F205 V242 A243F155-V232 HydrophobicContact CD2-CG1 3.9Å; F155-V232 HydrophobicContact CE2-CB 4.47Å; F155-V232 HydrophobicContact CE2-CG1 3.27Å; F155-V232 HydrophobicContact CE2-CG2 4.41Å; F155-V232 HydrophobicContact CZ-CG1 3.67Å; F155-V232 HydrophobicContact CZ-CG2 4.12Å; F156-V232 CarbonylContact O-C 3.52Å; F156-V232 WeakPolarHBondContact O-CA 3.42Å; A157-V232 HydrophobicContact CB-CB 4.5Å; A157-V232 HydrophobicContact CB-CG2 3.93Å; Y159-V232 HydrophobicContact CE1-CG2 4.45Å; L175-V232 HydrophobicContact CD1-CG2 4.1Å; L175-V232 HydrophobicContact CD2-CG2 3.79Å; F205-V232 HydrophobicContact CE2-CG2 4.24Å; F205-V232 HydrophobicContact CZ-CG2 3.97Å; V232-V242 CarbonylContact O-C 3.53Å; V232-V242 WeakPolarHBondContact O-CA 3.18Å; V232-A243 PolarHBondContact N-O 2.92Å; V232-A243 PolarHBondContact O-N 3.42Å
233A98.5Very high93.1Very high0 Ų018.9 Ų18.90%010%0.103CC..EExtended strand (participates in β ladder)trans-125.6124170.500000110.6F156 V241 V242 L330F156-A233 PolarHBondContact N-O 2.83Å; F156-A233 PolarHBondContact O-N 2.73Å; A233-V241 CarbonylContact C-O 3.56Å; A233-V241 WeakPolarHBondContact CA-O 3.48Å; A233-V242 HydrophobicContact CB-CG2 4.09Å; A233-L330 HydrophobicContact CB-CD1 4.12Å; A233-L330 HydrophobicContact CB-CD2 3.95Å; A233-L330 HydrophobicContact CB-CG 4.45Å
234V96.3Very high95Very high1 Ų117.2 Ų17.21%0.0069%0.085CC..EExtended strand (participates in β ladder)trans-104.7117.5167.3177.80000108.6F134 M153 E154 F155 L179 W197 M201 V241F134-V234 HydrophobicContact CD1-CG1 4.26Å; F134-V234 HydrophobicContact CD1-CG2 4.36Å; F134-V234 HydrophobicContact CE1-CG1 4.43Å; F134-V234 HydrophobicContact CE1-CG2 4.12Å; M153-V234 HydrophobicContact CB-CG1 4.01Å; M153-V234 HydrophobicContact SD-CG1 4.04Å; E154-V234 CarbonylContact O-C 3.56Å; E154-V234 WeakPolarHBondContact O-CA 3.38Å; F155-V234 HydrophobicContact CD2-CG2 4.12Å; L179-V234 HydrophobicContact CD2-CG2 3.78Å; W197-V234 HydrophobicContact CH2-CG1 4Å; W197-V234 HydrophobicContact CZ3-CG1 4.46Å; M201-V234 HydrophobicContact CE-CB 4.4Å; M201-V234 HydrophobicContact CE-CG2 3.75Å; V234-V241 HydrophobicContact CB-CB 4.38Å; V234-V241 PolarHBondContact N-O 2.88Å; V234-V241 PolarHBondContact O-N 2.8Å
235V95.1Very high95.9Very high1 Ų114.1 Ų14.11%0.0067%0.07CC..EExtended strand (participates in β ladder)trans-105.3109.7-178.7-174.40000109.2P109 M153 E154 F156 I240 I328 L396P109-V235 HydrophobicContact CG-CB 4.22Å; P109-V235 HydrophobicContact CG-CG1 3.79Å; M153-V235 WeakPolarHBondContact CA-O 3.34Å; E154-V235 PolarHBondContact N-O 2.71Å; E154-V235 PolarHBondContact O-N 2.6Å; F156-V235 HydrophobicContact CD2-CG2 4.18Å; F156-V235 HydrophobicContact CE2-CG2 4.12Å; V235-I240 HydrophobicContact CG1-CG1 4.4Å; V235-I328 HydrophobicContact CG2-CD1 3.69Å; V235-L396 HydrophobicContact CG1-CD2 3.82Å
236G91.1Very high96.2Very high8 Ų811.2 Ų11.28%0.0825%0.053CC..  trans-107.2-177.5173.300000112.8R238 H239 R321G236-R238 PolarHBondContact O-N 2.89Å; G236-H239 PolarHBondContact N-O 2.7Å; G236-R321 WeakPolarHBondContact O-CD 3.42Å; G236-R321 PolarHBondContact O-NH1 2.93Å
237P88.2Confident96.4Very high34 Ų3411.4 Ų11.422%0.2215%0.054CC..SBendtrans-68.4-31179.524.3-33000113.2W106 A151W106-P237 WeakPolarHBondContact CA-O 3.37Å; W106-P237 VanDerWaalsContact CB-O 3.27Å; W106-P237 WeakPolarHBondContact CB-O 3.36Å; W106-P237 VanDerWaalsContact CD1-O 3.24Å; W106-P237 PolarHBondContact N-O 3.07Å; W106-P237 WeakPolarHBondContact O-CA 3.33Å; A151-P237 HydrophobicContact CB-CG 3.91Å
238R87.4Confident96.4Very high120 Ų12011.4 Ų11.445%0.4535%0.054SC..SBendtrans-105.1-35.2-178.6-67-173.6179.9160.96.2113.7G236 R321G236-R238 PolarHBondContact O-N 2.89Å; R238-R321 WeakPolarHBondContact O-CB 3.35Å; R238-R321 PolarHBondContact O-N 2.81Å
239H91.9Very high96.5Very high64 Ų6413.4 Ų13.430%0.2966%0.061SC..EExtended strand (participates in β ladder)trans-128.8151.1-171.3-58.6101.3000112.1G236 V241 V318 T319G236-H239 PolarHBondContact N-O 2.7Å; H239-V241 HydrophobicContact CB-CG2 4.39Å; H239-V318 HydrophobicContact CB-CG1 4.18Å; H239-T319 CarbonylContact C-O 3.51Å; H239-T319 VanDerWaalsContact CA-O 3.27Å; H239-T319 WeakPolarHBondContact CA-O 3.48Å
240I95.4Very high96.5Very high0 Ų013.3 Ų13.30%06%0.061CC..EExtended strand (participates in β ladder)trans-105.8119.9159.8-62.2157.8000105.9V235 V242 L252 L261 T319 R321 I328 L396V235-I240 HydrophobicContact CG1-CG1 4.4Å; I240-V242 HydrophobicContact CG2-CG2 4.17Å; I240-L252 HydrophobicContact CD1-CD1 4.12Å; I240-L252 HydrophobicContact CD1-CD2 4.38Å; I240-L261 HydrophobicContact CG2-CD1 3.76Å; I240-T319 PolarHBondContact N-O 3.5Å; I240-T319 PolarHBondContact O-N 3.4Å; I240-R321 HydrophobicContact CD1-CG 3.93Å; I240-R321 HydrophobicContact CG1-CG 3.73Å; I240-I328 HydrophobicContact CD1-CD1 3.93Å; I240-I328 HydrophobicContact CD1-CG1 4.43Å; I240-I328 HydrophobicContact CG1-CD1 4.09Å; I240-I328 HydrophobicContact CG2-CD1 3.74Å; I240-L396 HydrophobicContact CD1-CD1 3.9Å
241V96.4Very high96.5Very high1 Ų113.3 Ų13.31%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-108.1122.5177.9-176.60000107.9W197 M201 A233 V234 H239 V316 T317 V318W197-V241 HydrophobicContact CB-CG1 4.11Å; W197-V241 HydrophobicContact CB-CG2 4.48Å; W197-V241 HydrophobicContact CD2-CB 4.27Å; W197-V241 HydrophobicContact CD2-CG1 4.01Å; W197-V241 HydrophobicContact CD2-CG2 3.59Å; W197-V241 HydrophobicContact CE3-CB 4.33Å; W197-V241 HydrophobicContact CE3-CG1 3.91Å; W197-V241 HydrophobicContact CE3-CG2 4.12Å; W197-V241 HydrophobicContact CG-CG1 4.14Å; W197-V241 HydrophobicContact CG-CG2 3.77Å; W197-V241 HydrophobicContact CZ2-CG2 4.29Å; M201-V241 HydrophobicContact CE-CB 4.39Å; M201-V241 HydrophobicContact CE-CG1 3.71Å; M201-V241 HydrophobicContact CG-CG1 4.44Å; A233-V241 CarbonylContact C-O 3.56Å; A233-V241 WeakPolarHBondContact CA-O 3.48Å; V234-V241 HydrophobicContact CB-CB 4.38Å; V234-V241 PolarHBondContact N-O 2.88Å; V234-V241 PolarHBondContact O-N 2.8Å; H239-V241 HydrophobicContact CB-CG2 4.39Å; V241-V316 HydrophobicContact CG1-CG1 4.12Å; V241-T317 CarbonylContact C-O 3.53Å; V241-T317 WeakPolarHBondContact CA-O 3.49Å; V241-V318 HydrophobicContact CG1-CG2 4.17Å; V241-V318 HydrophobicContact CG2-CG1 4.27Å; V241-V318 HydrophobicContact CG2-CG2 4.29Å
242V98.5Very high96.4Very high1 Ų113.3 Ų13.31%0.0066%0.061CC..EExtended strand (participates in β ladder)trans-116.2130.7176.5171.40000109.2V231 V232 A233 I240 A250 L261 V316 T317V231-V242 HydrophobicContact CG2-CG1 4.27Å; V232-V242 CarbonylContact O-C 3.53Å; V232-V242 WeakPolarHBondContact O-CA 3.18Å; A233-V242 HydrophobicContact CB-CG2 4.09Å; I240-V242 HydrophobicContact CG2-CG2 4.17Å; V242-A250 HydrophobicContact CG1-CB 3.84Å; V242-A250 HydrophobicContact CG2-CB 4.17Å; V242-L261 HydrophobicContact CB-CB 4.1Å; V242-L261 HydrophobicContact CG1-CB 4.3Å; V242-L261 HydrophobicContact CG2-CB 3.72Å; V242-L261 HydrophobicContact CG2-CD1 3.68Å; V242-L261 HydrophobicContact CG2-CG 4.39Å; V242-V316 CarbonylContact O-C 3.5Å; V242-V316 VanDerWaalsContact O-CA 3.26Å; V242-V316 WeakPolarHBondContact O-CA 3.33Å; V242-T317 PolarHBondContact N-O 3.01Å; V242-T317 PolarHBondContact O-N 3.3Å
243A98.7Very high96.4Very high0 Ų013.3 Ų13.30%06%0.061CC..EExtended strand (participates in β ladder)trans-116.2127.6168.500000108.3M201 F205 V232 P314 E315 V316M201-A243 HydrophobicContact CB-CB 4.05Å; M201-A243 HydrophobicContact CE-CB 4.47Å; M201-A243 HydrophobicContact CG-CB 3.97Å; M201-A243 HydrophobicContact SD-CB 3.76Å; F205-A243 HydrophobicContact CE2-CB 3.76Å; F205-A243 HydrophobicContact CZ-CB 3.85Å; V232-A243 PolarHBondContact N-O 2.92Å; V232-A243 PolarHBondContact O-N 3.42Å; A243-P314 HydrophobicContact CB-CB 4.22Å; A243-E315 WeakPolarHBondContact CA-O 3.41Å; A243-V316 HydrophobicContact CB-CG2 3.98Å
244N98.9Very high96.4Very high1 Ų116.4 Ų16.41%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-123.4129.7-179.7-175.561.4000110.9A230 V231 G246 S248 S262 S263 H265 P314 E315A230-N244 CarbonylContact O-C 3.43Å; A230-N244 WeakPolarHBondContact O-CA 3.41Å; V231-N244 HydrophobicContact CG2-CB 4.48Å; N244-G246 PolarHBondContact ND2-O 3.26Å; N244-S248 PolarHBondContact OD1-O 2.99Å; N244-S262 VanDerWaalsContact CB-CB 3.48Å; N244-S263 PolarHBondContact ND2-O 3.46Å; N244-H265 PolarHBondContact O-CE1 3.02Å; N244-P314 CarbonylContact O-C 3.58Å; N244-P314 WeakPolarHBondContact O-CA 3.48Å; N244-E315 PolarHBondContact N-O 3.48Å; N244-E315 PolarHBondContact O-N 3.48Å
245C98.8Very high96.4Very high0 Ų018.5 Ų18.50%09%0.094CC..EExtended strand (participates in β ladder)trans-133.786.9169.6-173.70000108.5F205 T229 A230 S300 P314F205-C245 HydrophobicContact CD1-CB 3.73Å; F205-C245 HydrophobicContact CE1-CB 3.5Å; T229-C245 CarbonylContact C-O 3.55Å; T229-C245 WeakPolarHBondContact CA-O 3.27Å; A230-C245 PolarHBondContact N-O 3.25Å; A230-C245 PolarHBondContact O-N 2.84Å; C245-S300 PolarHBondContact SG-N 2.92Å; C245-P314 HydrophobicContact CB-CB 4.37Å
246G98.7Very high96.3Very high0 Ų019.9 Ų19.90%011%0.108CC..SBendtrans138.5-154.8175.400000111.7N244 H265 T297 R299N244-G246 PolarHBondContact ND2-O 3.26Å; G246-H265 PolarHBondContact N-ND1 3.36Å; G246-H265 VanDerWaalsContact N-ND1 3.11Å; G246-H265 PolarHBondContact O-N 3.05Å; G246-T297 WeakPolarHBondContact CA-OG1 3.2Å; G246-R299 WeakPolarHBondContact CA-O 3.36Å
247D98.5Very high96.6Very high7 Ų723.9 Ų23.94%0.03713%0.131CC..SBendtrans-111.410.1-178.654.3-4000114.7T229 D264 K266T229-D247 VanDerWaalsContact CG2-OD1 3.3Å; T229-D247 WeakPolarHBondContact CG2-OD1 3.15Å; D247-D264 HydrophobicContact CB-CB 4.15Å; D247-K266 HydrophobicContact CB-CD 3.89Å; D247-K266 VanDerWaalsContact CB-CE 3.45Å; D247-K266 IonicContact OD2-NZ 3.53Å; D247-K266 PolarHBondContact OD2-NZ 3.24Å
248S98.8Very high97.1Very high0 Ų023.4 Ų23.40%013%0.128CC..  trans-62157.4151.3-72.80000110.6T229 N244 G331T229-S248 PolarHBondContact OG1-OG 2.84Å; N244-S248 PolarHBondContact OD1-O 2.99Å; S248-G331 WeakPolarHBondContact CA-O 3.37Å; S248-G331 WeakPolarHBondContact CB-O 3.43Å
249R98.9Very high97.6Very high42 Ų4220 Ų2016%0.15812%0.12CC..EExtended strand (participates in β ladder)trans-140.7144.1-174-160.7-172.2-61.9148.76.1114.3V251 S262 D264 L330 G331 W336 N341R249-V251 HydrophobicContact CG-CG2 4.23Å; R249-S262 WeakPolarHBondContact CA-OG 3.33Å; R249-S262 WeakPolarHBondContact CG-OG 3.33Å; R249-D264 IonicContact CZ-OD1 2.75Å; R249-D264 IonicContact CZ-OD2 2.94Å; R249-D264 IonicContact NE-OD1 2.7Å; R249-D264 PolarHBondContact NE-OD1 3.45Å; R249-D264 IonicContact NE-OD2 3.47Å; R249-D264 IonicContact NH2-OD1 3.83Å; R249-D264 PolarHBondContact NH2-OD1 3.1Å; R249-D264 IonicContact NH2-OD2 3.49Å; R249-D264 PolarHBondContact NH2-OD2 3.02Å; R249-L330 WeakPolarHBondContact O-CA 3.46Å; R249-G331 PolarHBondContact N-O 3.02Å; R249-G331 PolarHBondContact O-N 2.97Å; R249-W336 HydrophobicContact CB-CD2 4.21Å; R249-W336 HydrophobicContact CB-CG 4.14Å; R249-W336 HydrophobicContact CB-CZ2 4.38Å; R249-W336 PolarHBondContact O-NE1 3.44Å; R249-N341 PolarHBondContact NH1-OD1 2.86Å
250A98.9Very high98Very high0 Ų020.3 Ų20.30%013%0.128CC..EExtended strand (participates in β ladder)trans-112.2131.7169.700000111.3V231 V242 L261 S262 I329 L330V231-A250 HydrophobicContact CG2-CB 3.74Å; V242-A250 HydrophobicContact CG1-CB 3.84Å; V242-A250 HydrophobicContact CG2-CB 4.17Å; A250-L261 HydrophobicContact CB-CB 4.24Å; A250-L261 PolarHBondContact O-N 3.05Å; A250-S262 PolarHBondContact N-OG 2.94Å; A250-I329 CarbonylContact C-O 3.42Å; A250-I329 WeakPolarHBondContact CA-O 3.38Å; A250-L330 HydrophobicContact CB-CG 4.25Å
251V98.9Very high98.1Very high0 Ų020.5 Ų20.50%013%0.129CC..EExtended strand (participates in β ladder)trans-132.8124.5-179.4-175.90000110.1R249 P258 I328 I329 W336 N341R249-V251 HydrophobicContact CG-CG2 4.23Å; V251-P258 HydrophobicContact CG1-CB 3.86Å; V251-I328 CarbonylContact O-C 3.56Å; V251-I328 WeakPolarHBondContact O-CA 3.31Å; V251-I329 PolarHBondContact N-O 3.46Å; V251-I329 PolarHBondContact O-N 3.45Å; V251-W336 HydrophobicContact CB-CH2 4.16Å; V251-W336 HydrophobicContact CG2-CH2 3.63Å; V251-W336 HydrophobicContact CG2-CZ2 4.13Å; V251-W336 HydrophobicContact CG2-CZ3 4.07Å; V251-N341 HydrophobicContact CG1-CB 4.19Å; V251-N341 HydrophobicContact CG2-CB 4.35Å; V251-N341 WeakPolarHBondContact CG2-OD1 3.39Å
252L98.8Very high98.2Very high0 Ų021 Ų210%013%0.133CC..EExtended strand (participates in β ladder)trans-88136.2171.5170.765.9000110.1I240 R254 P258 V259 L261 T319 D325 I328 L396I240-L252 HydrophobicContact CD1-CD1 4.12Å; I240-L252 HydrophobicContact CD1-CD2 4.38Å; L252-R254 HydrophobicContact CD2-CB 4.33Å; L252-R254 HydrophobicContact CG-CB 4.35Å; L252-P258 CarbonylContact O-C 3.56Å; L252-P258 WeakPolarHBondContact O-CA 3.1Å; L252-V259 HydrophobicContact CB-CB 4.3Å; L252-V259 PolarHBondContact N-O 3.38Å; L252-V259 PolarHBondContact O-N 3.04Å; L252-L261 HydrophobicContact CB-CD1 3.86Å; L252-L261 HydrophobicContact CB-CD2 4Å; L252-L261 HydrophobicContact CB-CG 3.87Å; L252-L261 HydrophobicContact CD2-CD2 4.39Å; L252-T319 HydrophobicContact CD2-CG2 4.43Å; L252-D325 HydrophobicContact CD1-CB 4.12Å; L252-I328 HydrophobicContact CD1-CG1 4.05Å; L252-L396 HydrophobicContact CD1-CD1 3.86Å
253S98.6Very high98.2Very high0 Ų023.7 Ų23.70%015%0.151CC..EExtended strand (participates in β ladder)trans-92.2113.5162-167.70000110.2E326 F327S253-E326 PolarHBondContact O-N 3.12Å; S253-E326 PolarHBondContact OG-OE2 3.1Å; S253-F327 VanDerWaalsContact CB-CE2 3.48Å; S253-F327 PolarHBondContact N-O 3.04Å
254R97.6Very high98.2Very high65 Ų6524.8 Ų24.825%0.24516%0.157CC..EExtended strand (participates in β ladder)trans-115.9107.7178.4179.2167.5-75.3-175.4-7.4109.6L252 G256 V257 V259 E320 K324 D325L252-R254 HydrophobicContact CD2-CB 4.33Å; L252-R254 HydrophobicContact CG-CB 4.35Å; R254-G256 PolarHBondContact O-N 3.01Å; R254-V257 PolarHBondContact N-O 3.08Å; R254-V257 PolarHBondContact O-N 2.81Å; R254-V259 HydrophobicContact CB-CG2 3.95Å; R254-E320 PolarHBondContact NH2-O 2.69Å; R254-K324 HydrophobicContact CG-CB 3.97Å; R254-D325 IonicContact CZ-OD1 2.78Å; R254-D325 IonicContact NE-OD1 3.13Å; R254-D325 PolarHBondContact NE-OD1 3.48Å; R254-D325 IonicContact NH2-OD1 3.86Å; R254-D325 PolarHBondContact NH2-OD1 2.9Å; R254-D325 IonicContact NH2-OD2 2.69Å; R254-D325 PolarHBondContact NH2-OD2 2.98Å
255G95.8Very high98.2Very high45 Ų4524.7 Ų24.746%0.46416%0.157SC..THydrogen-bonded Turntrans61.925.8-176.400000113.5V257 K324G255-V257 VanDerWaalsContact C-N 3.34Å; G255-K324 PolarHBondContact N-O 3.32Å
256G94Very high98.2Very high29 Ų2927 Ų2730%0.29917%0.167SC..THydrogen-bonded Turntrans83.51.4-174.700000115R254R254-G256 PolarHBondContact O-N 3.01Å
257V97.5Very high98.1Very high92 Ų9227 Ų2756%0.55817%0.167SC*.EExtended strand (participates in β ladder)trans-97.5131174.1-178.10000109.1R254 G255R254-V257 PolarHBondContact N-O 3.08Å; R254-V257 PolarHBondContact O-N 2.81Å; G255-V257 VanDerWaalsContact C-N 3.34Å
258P98.3Very high98.1Very high24 Ų2430.4 Ų30.416%0.15619%0.185CC..EExtended strand (participates in β ladder)trans-67.9133.4172.828.4-33.8000110.7V251 L252 N341 E342 C345V251-P258 HydrophobicContact CG1-CB 3.86Å; L252-P258 CarbonylContact O-C 3.56Å; L252-P258 WeakPolarHBondContact O-CA 3.1Å; P258-N341 HydrophobicContact CB-CB 3.89Å; P258-N341 HydrophobicContact CG-CB 4.39Å; P258-E342 HydrophobicContact CG-CB 4.48Å; P258-E342 HydrophobicContact CG-CG 3.94Å; P258-C345 HydrophobicContact CB-CB 4.38Å
259V98.6Very high98.1Very high49 Ų4932.1 Ų32.130%0.29719%0.192SC..EExtended strand (participates in β ladder)trans-125.3102.3173.5-178.60000106.6L252 R254 L261L252-V259 HydrophobicContact CB-CB 4.3Å; L252-V259 PolarHBondContact N-O 3.38Å; L252-V259 PolarHBondContact O-N 3.04Å; R254-V259 HydrophobicContact CB-CG2 3.95Å; V259-L261 HydrophobicContact CG1-CD2 4.36Å; V259-L261 PolarHBondContact O-N 3.36Å
260P98.6Very high98Very high70 Ų7035.1 Ų35.146%0.45522%0.216SC..EExtended strand (participates in β ladder)trans-57.7129.6173.7-21.833.6000109.8
261L98.7Very high98Very high4 Ų438.4 Ų38.42%0.02123%0.234CC..SBendtrans-101.4-8176.3-60.7-173.4000112.2I240 V242 A250 L252 V259 T317 T319I240-L261 HydrophobicContact CG2-CD1 3.76Å; V242-L261 HydrophobicContact CB-CB 4.1Å; V242-L261 HydrophobicContact CG1-CB 4.3Å; V242-L261 HydrophobicContact CG2-CB 3.72Å; V242-L261 HydrophobicContact CG2-CD1 3.68Å; V242-L261 HydrophobicContact CG2-CG 4.39Å; A250-L261 HydrophobicContact CB-CB 4.24Å; A250-L261 PolarHBondContact O-N 3.05Å; L252-L261 HydrophobicContact CB-CD1 3.86Å; L252-L261 HydrophobicContact CB-CD2 4Å; L252-L261 HydrophobicContact CB-CG 3.87Å; L252-L261 HydrophobicContact CD2-CD2 4.39Å; V259-L261 HydrophobicContact CG1-CD2 4.36Å; V259-L261 PolarHBondContact O-N 3.36Å; L261-T317 WeakPolarHBondContact O-CB 3.43Å; L261-T317 PolarHBondContact O-OG1 2.87Å; L261-T319 HydrophobicContact CD2-CG2 4.4Å
262S98.7Very high98Very high13 Ų1338.4 Ų38.49%0.09123%0.234CC..  trans-134.6157.9172.263.40000110.6N244 R249 A250N244-S262 VanDerWaalsContact CB-CB 3.48Å; R249-S262 WeakPolarHBondContact CA-OG 3.33Å; R249-S262 WeakPolarHBondContact CG-OG 3.33Å; A250-S262 PolarHBondContact N-OG 2.94Å
263S98.3Very high98Very high56 Ų5641.1 Ų41.139%0.39225%0.248SC..  trans-113.3132.5166.9177.60000108.2N244 H265 R269N244-S263 PolarHBondContact ND2-O 3.46Å; S263-H265 PolarHBondContact O-N 3.45Å; S263-R269 PolarHBondContact OG-NH1 3.35Å; S263-R269 VanDerWaalsContact OG-NH1 3.17Å
264D98.6Very high98Very high23 Ų2347.4 Ų47.412%0.12328%0.278CS..  trans-64.3132.3179.5-56.515.4000110.2D247 R249 K266D247-D264 HydrophobicContact CB-CB 4.15Å; R249-D264 IonicContact CZ-OD1 2.75Å; R249-D264 IonicContact CZ-OD2 2.94Å; R249-D264 IonicContact NE-OD1 2.7Å; R249-D264 PolarHBondContact NE-OD1 3.45Å; R249-D264 IonicContact NE-OD2 3.47Å; R249-D264 IonicContact NH2-OD1 3.83Å; R249-D264 PolarHBondContact NH2-OD1 3.1Å; R249-D264 IonicContact NH2-OD2 3.49Å; R249-D264 PolarHBondContact NH2-OD2 3.02Å; D264-K266 HydrophobicContact CB-CG 3.88Å; D264-K266 PolarHBondContact O-N 3.05Å
265H98.7Very high98Very high0 Ų047.3 Ų47.30%028%0.277CS..  trans-80.572172.1-62143.8000109.8N244 G246 S263 R269 T297 S298 R299 E315N244-H265 PolarHBondContact O-CE1 3.02Å; G246-H265 PolarHBondContact N-ND1 3.36Å; G246-H265 VanDerWaalsContact N-ND1 3.11Å; G246-H265 PolarHBondContact O-N 3.05Å; S263-H265 PolarHBondContact O-N 3.45Å; H265-R269 PolarHBondContact CD2-NH1 3.43Å; H265-T297 CarbonylContact O-C 3.41Å; H265-T297 VanDerWaalsContact O-CA 3.31Å; H265-T297 WeakPolarHBondContact O-CA 3.33Å; H265-T297 PolarHBondContact O-OG1 2.91Å; H265-S298 VanDerWaalsContact C-OG 3.27Å; H265-S298 PolarHBondContact O-N 2.83Å; H265-S298 PolarHBondContact O-OG 2.95Å; H265-S298 VanDerWaalsContact O-OG 3.09Å; H265-R299 HydrophobicContact CB-CB 3.92Å; H265-R299 HydrophobicContact CB-CG 3.95Å; H265-E315 WeakPolarHBondContact NE2-CG 3.44Å; H265-E315 IonicContact NE2-OE1 3.5Å; H265-E315 IonicContact NE2-OE2 2.69Å
266K98Very high98.2Very high47 Ų4745.1 Ų45.120%0.20426%0.255CS..  trans-89.4140.7174.8-62.5-67.6-170.5-179.10110.1D247 D264 D268 R269D247-K266 HydrophobicContact CB-CD 3.89Å; D247-K266 VanDerWaalsContact CB-CE 3.45Å; D247-K266 IonicContact OD2-NZ 3.53Å; D247-K266 PolarHBondContact OD2-NZ 3.24Å; D264-K266 HydrophobicContact CB-CG 3.88Å; D264-K266 PolarHBondContact O-N 3.05Å; K266-D268 VanDerWaalsContact CB-OD1 3.27Å; K266-D268 WeakPolarHBondContact CB-OD1 2.87Å; K266-D268 PolarHBondContact O-N 3.4Å; K266-D268 VanDerWaalsContact O-N 3.12Å; K266-R269 VanDerWaalsContact O-CB 3.27Å; K266-R269 WeakPolarHBondContact O-CB 3.38Å; K266-R269 PolarHBondContact O-N 2.94Å
267P98.1Very high98.4Very high0 Ų048.9 Ų48.90%027%0.265CS..THydrogen-bonded Turntrans-61.4-20.3-176.4-27.637.1000115.7V283 V291 A296P267-V283 HydrophobicContact CB-CB 4.47Å; P267-V283 HydrophobicContact CB-CG1 3.63Å; P267-V283 HydrophobicContact CB-CG2 3.97Å; P267-V291 HydrophobicContact CB-CG2 4.02Å; P267-V291 HydrophobicContact CG-CG2 3.81Å; P267-A296 WeakPolarHBondContact CD-O 3.48Å
268D97.5Very high98.4Very high80 Ų8049 Ų4943%0.42827%0.27SS..THydrogen-bonded Turntrans-89-2.1175.859.3-38.9000114.2K266 Y289K266-D268 VanDerWaalsContact CB-OD1 3.27Å; K266-D268 WeakPolarHBondContact CB-OD1 2.87Å; K266-D268 PolarHBondContact O-N 3.4Å; K266-D268 VanDerWaalsContact O-N 3.12Å; D268-Y289 HydrophobicContact CB-CD1 4.13Å; D268-Y289 HydrophobicContact CB-CD2 3.42Å; D268-Y289 VanDerWaalsContact CB-CD2 3.42Å; D268-Y289 HydrophobicContact CB-CE2 3.92Å; D268-Y289 HydrophobicContact CB-CG 3.54Å
269R98.2Very high98.4Very high36 Ų3650 Ų5014%0.13628%0.28CS..SBendtrans-63.3127169.8-154.9177.871.4176.20.1108S263 H265 K266 D271 E272 L273 E315S263-R269 PolarHBondContact OG-NH1 3.35Å; S263-R269 VanDerWaalsContact OG-NH1 3.17Å; H265-R269 PolarHBondContact CD2-NH1 3.43Å; K266-R269 VanDerWaalsContact O-CB 3.27Å; K266-R269 WeakPolarHBondContact O-CB 3.38Å; K266-R269 PolarHBondContact O-N 2.94Å; R269-D271 VanDerWaalsContact C-N 3.3Å; R269-D271 WeakPolarHBondContact CG-OD1 3.48Å; R269-D271 IonicContact CZ-OD1 2.72Å; R269-D271 IonicContact CZ-OD2 2.82Å; R269-D271 IonicContact NE-OD1 3.67Å; R269-D271 PolarHBondContact NE-OD1 3.4Å; R269-D271 IonicContact NE-OD2 3.35Å; R269-D271 PolarHBondContact NE-OD2 3.39Å; R269-D271 IonicContact NH2-OD1 2.91Å; R269-D271 IonicContact NH2-OD2 3.5Å; R269-D271 PolarHBondContact NH2-OD2 2.9Å; R269-D271 PolarHBondContact O-N 3.14Å; R269-D271 VanDerWaalsContact O-N 3.14Å; R269-E272 HydrophobicContact CB-CB 4.14Å; R269-E272 HydrophobicContact CB-CG 4.18Å; R269-E272 IonicContact NH2-OE1 3.06Å; R269-E272 PolarHBondContact O-N 3.25Å; R269-L273 PolarHBondContact O-N 2.97Å; R269-E315 IonicContact CZ-OE1 3.91Å; R269-E315 IonicContact CZ-OE2 3.81Å; R269-E315 IonicContact NH1-OE1 3.53Å; R269-E315 PolarHBondContact NH1-OE1 3.1Å; R269-E315 IonicContact NH1-OE2 3.1Å; R269-E315 PolarHBondContact NH1-OE2 2.85Å; R269-E315 IonicContact NH2-OE1 3.27Å; R269-E315 PolarHBondContact NH2-OE1 3.03Å; R269-E315 IonicContact NH2-OE2 3.73Å
270P98.4Very high98.3Very high104 Ų10450.7 Ų50.768%0.67530%0.297SS*.Hα-helixtrans-54.1-40.2-167.2-31.535.9000115.6E274P270-E274 WeakPolarHBondContact O-CB 3.26Å; P270-E274 PolarHBondContact O-N 3.44Å; P270-E274 VanDerWaalsContact O-N 3.11Å
271D98.5Very high98.3Very high69 Ų6947.6 Ų47.637%0.36928%0.278SS..Hα-helixtrans-70.2-37.8177.262.7-43.2000112.6R269 R275R269-D271 VanDerWaalsContact C-N 3.3Å; R269-D271 WeakPolarHBondContact CG-OD1 3.48Å; R269-D271 IonicContact CZ-OD1 2.72Å; R269-D271 IonicContact CZ-OD2 2.82Å; R269-D271 IonicContact NE-OD1 3.67Å; R269-D271 PolarHBondContact NE-OD1 3.4Å; R269-D271 IonicContact NE-OD2 3.35Å; R269-D271 PolarHBondContact NE-OD2 3.39Å; R269-D271 IonicContact NH2-OD1 2.91Å; R269-D271 IonicContact NH2-OD2 3.5Å; R269-D271 PolarHBondContact NH2-OD2 2.9Å; R269-D271 PolarHBondContact O-N 3.14Å; R269-D271 VanDerWaalsContact O-N 3.14Å; D271-R275 VanDerWaalsContact O-CB 3.31Å; D271-R275 WeakPolarHBondContact O-CB 3.3Å; D271-R275 PolarHBondContact O-N 2.93Å
272E98.6Very high98.2Very high1 Ų155.8 Ų55.81%0.00531%0.309CS..Hα-helixtrans-72.4-37.9177.2-68.4-70.198.400111.9R269 R275 V276 S298 R299R269-E272 HydrophobicContact CB-CB 4.14Å; R269-E272 HydrophobicContact CB-CG 4.18Å; R269-E272 IonicContact NH2-OE1 3.06Å; R269-E272 PolarHBondContact O-N 3.25Å; E272-R275 PolarHBondContact O-N 3.39Å; E272-R275 IonicContact OE1-CZ 2.75Å; E272-R275 IonicContact OE1-NE 2.79Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.06Å; E272-R275 IonicContact OE2-CZ 3.11Å; E272-R275 IonicContact OE2-NE 2.65Å; E272-R275 PolarHBondContact OE2-NE 2.87Å; E272-R275 IonicContact OE2-NH2 3.51Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; E272-V276 WeakPolarHBondContact O-CB 3.33Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.31Å; E272-V276 PolarHBondContact O-N 2.8Å; E272-S298 WeakPolarHBondContact CG-OG 3.46Å; E272-S298 VanDerWaalsContact OE2-CB 3.24Å; E272-S298 WeakPolarHBondContact OE2-CB 3.22Å; E272-S298 PolarHBondContact OE2-OG 3.34Å; E272-R299 IonicContact OE1-CZ 2.78Å; E272-R299 IonicContact OE1-NE 3.32Å; E272-R299 PolarHBondContact OE1-NE 2.7Å; E272-R299 IonicContact OE1-NH2 3.97Å; E272-R299 PolarHBondContact OE1-NH2 3.5Å; E272-R299 VanDerWaalsContact OE2-CG 3.26Å; E272-R299 WeakPolarHBondContact OE2-CG 3.4Å; E272-R299 IonicContact OE2-NE 2.78Å; E272-R299 PolarHBondContact OE2-NE 3.08Å; E272-R299 VanDerWaalsContact OE2-NE 3.1Å
273L98.4Very high98.2Very high56 Ų5656.3 Ų56.329%0.29331%0.311SS..Hα-helixtrans-58.4-52.7172.1176.761.8000110.4R269 R275 V276 E277 V283R269-L273 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 3.39Å; L273-V276 PolarHBondContact O-N 2.84Å; L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 WeakPolarHBondContact O-CG 3.5Å; L273-E277 PolarHBondContact O-N 3.05Å; L273-V283 HydrophobicContact CD1-CB 3.52Å; L273-V283 HydrophobicContact CD1-CG1 4.23Å; L273-V283 HydrophobicContact CD1-CG2 3.48Å; L273-V283 VanDerWaalsContact CD1-CG2 3.48Å
274E98.5Very high98.2Very high133 Ų13356.9 Ų56.962%0.62131%0.309SS*.Hα-helixtrans-58.9-42.8177.7-177.2176.1-166.800111.5P270 S278P270-E274 WeakPolarHBondContact O-CB 3.26Å; P270-E274 PolarHBondContact O-N 3.44Å; P270-E274 VanDerWaalsContact O-N 3.11Å; E274-S278 WeakPolarHBondContact O-CB 3.34Å; E274-S278 PolarHBondContact O-N 2.88Å; E274-S278 PolarHBondContact O-OG 2.88Å
275R98.6Very high98.1Very high62 Ų6260.4 Ų60.423%0.23433%0.328CS..Hα-helixtrans-61-46.9177.1-176.5-175.761.669.3-1.3112D271 E272 L273 A279 S298 F309D271-R275 VanDerWaalsContact O-CB 3.31Å; D271-R275 WeakPolarHBondContact O-CB 3.3Å; D271-R275 PolarHBondContact O-N 2.93Å; E272-R275 PolarHBondContact O-N 3.39Å; E272-R275 IonicContact OE1-CZ 2.75Å; E272-R275 IonicContact OE1-NE 2.79Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.06Å; E272-R275 IonicContact OE2-CZ 3.11Å; E272-R275 IonicContact OE2-NE 2.65Å; E272-R275 PolarHBondContact OE2-NE 2.87Å; E272-R275 IonicContact OE2-NH2 3.51Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 3.39Å; R275-A279 PolarHBondContact O-N 2.88Å; R275-S298 PolarHBondContact NH2-O 3.44Å; R275-F309 PolarHBondContact NH1-O 3.06Å
276V98.6Very high97.7Very high0 Ų068.7 Ų68.70%036%0.36CS..Hα-helixtrans-65.1-45.9-179.4168.40000110.9E272 L273 A279 G281 V283 V291 F309E272-V276 WeakPolarHBondContact O-CB 3.33Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.31Å; E272-V276 PolarHBondContact O-N 2.8Å; L273-V276 PolarHBondContact O-N 2.84Å; V276-A279 PolarHBondContact O-N 3.03Å; V276-G281 VanDerWaalsContact O-CA 3.31Å; V276-G281 WeakPolarHBondContact O-CA 3.46Å; V276-G281 PolarHBondContact O-N 3.09Å; V276-V283 HydrophobicContact CB-CG2 4.2Å; V276-V283 HydrophobicContact CG1-CG2 3.91Å; V276-V291 HydrophobicContact CG1-CG1 4.06Å; V276-V291 HydrophobicContact CG2-CG2 4.15Å; V276-F309 HydrophobicContact CG1-CB 4.44Å
277E98.2Very high97.4Very high107 Ų10775.4 Ų75.450%0.539%0.389SS..Hα-helixtrans-69.8-38.3-179.5-68.4-171.3156.200112.3L273 A279 G280L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 WeakPolarHBondContact O-CG 3.5Å; L273-E277 PolarHBondContact O-N 3.05Å; E277-A279 PolarHBondContact O-N 2.93Å; E277-G280 WeakPolarHBondContact O-CA 3.46Å; E277-G280 PolarHBondContact O-N 3Å
278S98.1Very high97.2Very high95 Ų9577.1 Ų77.166%0.66441%0.406SS*.Hα-helixtrans-63.2-28.6175-63.50000112.8E274 G280E274-S278 WeakPolarHBondContact O-CB 3.34Å; E274-S278 PolarHBondContact O-N 2.88Å; E274-S278 PolarHBondContact O-OG 2.88Å; S278-G280 PolarHBondContact O-N 2.9Å
279A97.8Very high97.2Very high45 Ų4578.4 Ų78.437%0.37241%0.406SS..THydrogen-bonded Turntrans-79.2-1.4172.900000113.5R275 V276 E277 P308 F309R275-A279 PolarHBondContact O-N 2.88Å; V276-A279 PolarHBondContact O-N 3.03Å; E277-A279 PolarHBondContact O-N 2.93Å; A279-P308 HydrophobicContact CB-CG 4.36Å; A279-F309 HydrophobicContact CB-CD1 4.06Å; A279-F309 HydrophobicContact CB-CE1 4.38Å; A279-F309 WeakPolarHBondContact O-CE1 3.37Å
280G97.8Very high97.2Very high63 Ų6380.1 Ų80.165%0.64941%0.412SS*.THydrogen-bonded Turntrans88.48.9-176.500000114.4E277 S278E277-G280 WeakPolarHBondContact O-CA 3.46Å; E277-G280 PolarHBondContact O-N 3Å; S278-G280 PolarHBondContact O-N 2.9Å
281G97.5Very high97.1Very high6 Ų675.1 Ų75.16%0.06238%0.38CS..  trans-80-179.6175.600000112.2V276 F309V276-G281 VanDerWaalsContact O-CA 3.31Å; V276-G281 WeakPolarHBondContact O-CA 3.46Å; V276-G281 PolarHBondContact O-N 3.09Å; G281-F309 VanDerWaalsContact CA-CD1 3.43Å
282R97.7Very high97.1Very high175 Ų17575.1 Ų75.166%0.6638%0.38SS*.  trans-137.3142.6171.9-70.6-167.3-80.4-153.5-3.6109.9I284 L292R282-I284 HydrophobicContact CB-CG1 4.37Å; R282-L292 HydrophobicContact CB-CD2 4.27Å; R282-L292 PolarHBondContact O-N 2.94Å
283V98Very high96.9Very high24 Ų2476.1 Ų76.115%0.14539%0.39CS..EExtended strand (participates in β ladder)trans-103124.6167.6178.60000108.2P267 L273 V276 Y289 R290P267-V283 HydrophobicContact CB-CB 4.47Å; P267-V283 HydrophobicContact CB-CG1 3.63Å; P267-V283 HydrophobicContact CB-CG2 3.97Å; L273-V283 HydrophobicContact CD1-CB 3.52Å; L273-V283 HydrophobicContact CD1-CG1 4.23Å; L273-V283 HydrophobicContact CD1-CG2 3.48Å; L273-V283 VanDerWaalsContact CD1-CG2 3.48Å; V276-V283 HydrophobicContact CB-CG2 4.2Å; V276-V283 HydrophobicContact CG1-CG2 3.91Å; V283-Y289 HydrophobicContact CG1-CD1 3.98Å; V283-Y289 HydrophobicContact CG1-CG 4.44Å; V283-R290 WeakPolarHBondContact CA-O 3.23Å
284I97.8Very high96.8Very high69 Ų6976.8 Ų76.835%0.35440%0.396SS..EExtended strand (participates in β ladder)trans-120.6126.6-174.1-55.1177.4000107.9R282 W286 R290R282-I284 HydrophobicContact CB-CG1 4.37Å; I284-W286 HydrophobicContact CG2-CB 4.28Å; I284-W286 PolarHBondContact O-N 2.78Å; I284-W286 VanDerWaalsContact O-N 3.09Å; I284-R290 PolarHBondContact N-O 2.87Å; I284-R290 PolarHBondContact O-N 2.93Å
285N96.7Very high96.7Very high97 Ų9771.2 Ų71.252%0.51937%0.371SS..EExtended strand (participates in β ladder)trans-75.497.8169.8-170-11.3000109.4G288 Y289N285-G288 PolarHBondContact OD1-N 3.02Å; N285-Y289 HydrophobicContact CB-CD1 3.9Å; N285-Y289 HydrophobicContact CB-CE1 3.79Å
286W92Very high96.6Very high174 Ų17469.9 Ų69.966%0.65937%0.373SS*.SBendtrans-135.186.4179.3-173.3-95.9000109.2I284 G288 R290I284-W286 HydrophobicContact CG2-CB 4.28Å; I284-W286 PolarHBondContact O-N 2.78Å; I284-W286 VanDerWaalsContact O-N 3.09Å; W286-G288 CarbonylContact C-O 3.57Å; W286-G288 PolarHBondContact N-O 2.86Å; W286-R290 WeakPolarHBondContact O-CD 3.42Å; W286-R290 PolarHBondContact O-NE 2.81Å; W286-R290 VanDerWaalsContact O-NE 3.09Å
287K90.9Very high96.6Very high187 Ų18770.1 Ų70.181%0.81337%0.374SS*.SBendtrans55.554.9-168.1-55.5179180178.60110.9
288G93Very high96.6Very high36 Ų3665 Ų6537%0.37135%0.35SS..SBendtrans103.8156-168.900000111.5N285 W286 R290N285-G288 PolarHBondContact OD1-N 3.02Å; W286-G288 CarbonylContact C-O 3.57Å; W286-G288 PolarHBondContact N-O 2.86Å; G288-R290 PolarHBondContact O-N 3.21Å
289Y97.5Very high96.6Very high108 Ų10861.4 Ų61.442%0.42432%0.322SS..EExtended strand (participates in β ladder)trans-70.5125.9177.2-69.3-82000110.5D268 V283 N285D268-Y289 HydrophobicContact CB-CD1 4.13Å; D268-Y289 HydrophobicContact CB-CD2 3.42Å; D268-Y289 VanDerWaalsContact CB-CD2 3.42Å; D268-Y289 HydrophobicContact CB-CE2 3.92Å; D268-Y289 HydrophobicContact CB-CG 3.54Å; V283-Y289 HydrophobicContact CG1-CD1 3.98Å; V283-Y289 HydrophobicContact CG1-CG 4.44Å; N285-Y289 HydrophobicContact CB-CD1 3.9Å; N285-Y289 HydrophobicContact CB-CE1 3.79Å
290R98.3Very high96.7Very high71 Ų7159.2 Ų59.227%0.26830%0.304SS..EExtended strand (participates in β ladder)trans-134.4139-174.8-67.5173.9-177.6-82.7-13.1111.8V283 I284 W286 G288 L292 G293 V294 L295 A296V283-R290 WeakPolarHBondContact CA-O 3.23Å; I284-R290 PolarHBondContact N-O 2.87Å; I284-R290 PolarHBondContact O-N 2.93Å; W286-R290 WeakPolarHBondContact O-CD 3.42Å; W286-R290 PolarHBondContact O-NE 2.81Å; W286-R290 VanDerWaalsContact O-NE 3.09Å; G288-R290 PolarHBondContact O-N 3.21Å; R290-L292 PolarHBondContact O-N 3.39Å; R290-G293 WeakPolarHBondContact CD-O 3.39Å; R290-G293 PolarHBondContact O-N 2.96Å; R290-V294 PolarHBondContact NH1-O 3.02Å; R290-L295 CarbonylContact C-O 3.56Å; R290-L295 WeakPolarHBondContact CA-O 3.5Å; R290-L295 WeakPolarHBondContact CB-O 3.46Å; R290-A296 HydrophobicContact CG-CB 4.39Å
291V97.8Very high96.7Very high0 Ų056.2 Ų56.20%027%0.273CS..EExtended strand (participates in β ladder)trans-66.5121.9170.2-177.30000108.5P267 V276 G293 V294 L295 M306 F309 I310P267-V291 HydrophobicContact CB-CG2 4.02Å; P267-V291 HydrophobicContact CG-CG2 3.81Å; V276-V291 HydrophobicContact CG1-CG1 4.06Å; V276-V291 HydrophobicContact CG2-CG2 4.15Å; V291-G293 PolarHBondContact O-N 3.49Å; V291-V294 PolarHBondContact O-N 2.83Å; V291-L295 PolarHBondContact N-O 3.48Å; V291-L295 PolarHBondContact O-N 2.96Å; V291-M306 HydrophobicContact CB-CE 3.83Å; V291-M306 HydrophobicContact CG1-CE 3.66Å; V291-M306 VanDerWaalsContact O-CE 3.27Å; V291-M306 WeakPolarHBondContact O-CE 3.46Å; V291-F309 HydrophobicContact CG1-CB 3.65Å; V291-I310 HydrophobicContact CB-CD1 4.02Å; V291-I310 HydrophobicContact CG1-CD1 4.16Å; V291-I310 HydrophobicContact CG2-CD1 3.86Å
292L96.9Very high96.6Very high69 Ų6956 Ų5636%0.36127%0.27SS..THydrogen-bonded Turntrans52.422.7-174.1-55.8-179.9000114.4R282 R290 V294 M306 F309R282-L292 HydrophobicContact CB-CD2 4.27Å; R282-L292 PolarHBondContact O-N 2.94Å; R290-L292 PolarHBondContact O-N 3.39Å; L292-V294 PolarHBondContact O-N 3.47Å; L292-M306 HydrophobicContact CB-CE 4.31Å; L292-M306 HydrophobicContact CD1-CE 4.45Å; L292-M306 HydrophobicContact CG-CE 4.48Å; L292-F309 HydrophobicContact CD1-CD2 3.68Å; L292-F309 HydrophobicContact CD1-CE2 3.73Å; L292-F309 HydrophobicContact CG-CD2 4.34Å
293G95.6Very high96.6Very high21 Ų2147.6 Ų47.622%0.21624%0.239CC..THydrogen-bonded Turntrans75.15.8-17500000114.8R290 V291R290-G293 WeakPolarHBondContact CD-O 3.39Å; R290-G293 PolarHBondContact O-N 2.96Å; V291-G293 PolarHBondContact O-N 3.49Å
294V95.7Very high96.4Very high71 Ų7148.6 Ų48.643%0.4324%0.24SC..THydrogen-bonded Turntrans-105.5-71-174.1-174.40000111.7R290 V291 L292 Y305 M306R290-V294 PolarHBondContact NH1-O 3.02Å; V291-V294 PolarHBondContact O-N 2.83Å; L292-V294 PolarHBondContact O-N 3.47Å; V294-Y305 WeakPolarHBondContact CG1-OH 3.45Å; V294-M306 HydrophobicContact CB-CE 4.23Å; V294-M306 HydrophobicContact CB-SD 4.16Å; V294-M306 HydrophobicContact CG1-SD 4.23Å
295L96.6Very high96.1Very high16 Ų1649.9 Ų49.98%0.08424%0.241CC..BIsolated β-bridgetrans-91.8135.3-172.5-70.9177.2000112.6R290 V291 T297 D303 M306 I310R290-L295 CarbonylContact C-O 3.56Å; R290-L295 WeakPolarHBondContact CA-O 3.5Å; R290-L295 WeakPolarHBondContact CB-O 3.46Å; V291-L295 PolarHBondContact N-O 3.48Å; V291-L295 PolarHBondContact O-N 2.96Å; L295-T297 VanDerWaalsContact C-N 3.32Å; L295-D303 HydrophobicContact CD1-CB 4.07Å; L295-M306 HydrophobicContact CB-CE 4.25Å; L295-M306 HydrophobicContact CB-SD 4.27Å; L295-M306 HydrophobicContact CD1-CE 4.12Å; L295-M306 HydrophobicContact CD1-SD 3.35Å; L295-M306 WeakPolarHBondContact CD1-SD 3.11Å; L295-M306 HydrophobicContact CG-CE 4.18Å; L295-M306 HydrophobicContact CG-SD 3.56Å; L295-M306 VanDerWaalsContact CG-SD 3.56Å; L295-I310 HydrophobicContact CB-CD1 4.4Å; L295-I310 HydrophobicContact CD1-CD1 3.96Å; L295-I310 HydrophobicContact CD1-CG1 3.88Å
296A96.8Very high96Very high33 Ų3345.4 Ų45.427%0.27322%0.217SC..SBendtrans-86.2-2179.900000113.9P267 R290P267-A296 WeakPolarHBondContact CD-O 3.48Å; R290-A296 HydrophobicContact CG-CB 4.39Å
297T97.7Very high96.2Very high5 Ų540.2 Ų40.23%0.03120%0.2CC..  trans-116.3151168.2-173.40000110.1G246 H265 L295 R299 I310G246-T297 WeakPolarHBondContact CA-OG1 3.2Å; H265-T297 CarbonylContact O-C 3.41Å; H265-T297 VanDerWaalsContact O-CA 3.31Å; H265-T297 WeakPolarHBondContact O-CA 3.33Å; H265-T297 PolarHBondContact O-OG1 2.91Å; L295-T297 VanDerWaalsContact C-N 3.32Å; T297-R299 WeakPolarHBondContact CG2-O 3.19Å; T297-R299 PolarHBondContact OG1-N 3.38Å; T297-R299 PolarHBondContact OG1-O 2.92Å; T297-R299 VanDerWaalsContact OG1-O 3.08Å; T297-I310 VanDerWaalsContact O-CD1 3.3Å; T297-I310 WeakPolarHBondContact O-CD1 3.37Å
298S98.4Very high96.4Very high0 Ų035.5 Ų35.50%019%0.188CC..SBendtrans-95.4-8.9177.355.70000113H265 E272 R275 I310 S311H265-S298 VanDerWaalsContact C-OG 3.27Å; H265-S298 PolarHBondContact O-N 2.83Å; H265-S298 PolarHBondContact O-OG 2.95Å; H265-S298 VanDerWaalsContact O-OG 3.09Å; E272-S298 WeakPolarHBondContact CG-OG 3.46Å; E272-S298 VanDerWaalsContact OE2-CB 3.24Å; E272-S298 WeakPolarHBondContact OE2-CB 3.22Å; E272-S298 PolarHBondContact OE2-OG 3.34Å; R275-S298 PolarHBondContact NH2-O 3.44Å; S298-I310 WeakPolarHBondContact O-CA 3.37Å; S298-S311 PolarHBondContact O-N 2.95Å
299R98.8Very high96.6Very high19 Ų1935.7 Ų35.77%0.07218%0.179CC..BIsolated β-bridgetrans-141139.7176.8-56.2-161.8-161173.98.7111.7G246 H265 E272 T297 S311 E313 E315G246-R299 WeakPolarHBondContact CA-O 3.36Å; H265-R299 HydrophobicContact CB-CB 3.92Å; H265-R299 HydrophobicContact CB-CG 3.95Å; E272-R299 IonicContact OE1-CZ 2.78Å; E272-R299 IonicContact OE1-NE 3.32Å; E272-R299 PolarHBondContact OE1-NE 2.7Å; E272-R299 IonicContact OE1-NH2 3.97Å; E272-R299 PolarHBondContact OE1-NH2 3.5Å; E272-R299 VanDerWaalsContact OE2-CG 3.26Å; E272-R299 WeakPolarHBondContact OE2-CG 3.4Å; E272-R299 IonicContact OE2-NE 2.78Å; E272-R299 PolarHBondContact OE2-NE 3.08Å; E272-R299 VanDerWaalsContact OE2-NE 3.1Å; T297-R299 WeakPolarHBondContact CG2-O 3.19Å; T297-R299 PolarHBondContact OG1-N 3.38Å; T297-R299 PolarHBondContact OG1-O 2.92Å; T297-R299 VanDerWaalsContact OG1-O 3.08Å; R299-S311 CarbonylContact C-O 3.57Å; R299-S311 WeakPolarHBondContact CA-O 3.41Å; R299-S311 WeakPolarHBondContact CB-O 3.19Å; R299-E313 VanDerWaalsContact CD-O 3.22Å; R299-E313 WeakPolarHBondContact CD-O 3.3Å; R299-E313 PolarHBondContact NH1-O 2.86Å; R299-E315 IonicContact CZ-OE1 3.81Å; R299-E315 IonicContact NH2-OE1 3.17Å; R299-E315 PolarHBondContact NH2-OE1 3.05Å
300S98.6Very high96.6Very high0 Ų030.6 Ų30.60%016%0.159CC..  trans-165.9159.1177.748.30000109.9S228 C245 D303 I310 S311 A312S228-S300 WeakPolarHBondContact O-CB 3.49Å; C245-S300 PolarHBondContact SG-N 2.92Å; S300-D303 WeakPolarHBondContact CB-OD2 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.01Å; S300-I310 WeakPolarHBondContact OG-CG2 3.21Å; S300-S311 PolarHBondContact N-O 3.36Å; S300-A312 WeakPolarHBondContact O-CA 3.42Å; S300-A312 WeakPolarHBondContact O-CB 3.42Å
301I98.4Very high96.6Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-78.3138.5164.7-63.9173.3000107.2V167 C171 L175 F205 V208 D209 V212 G227 S228 A230V167-I301 HydrophobicContact CG1-CB 4.22Å; V167-I301 HydrophobicContact CG1-CG2 3.8Å; C171-I301 VanDerWaalsContact SG-CD1 3.59Å; L175-I301 HydrophobicContact CD1-CD1 4.17Å; F205-I301 HydrophobicContact CD1-CD1 4.12Å; F205-I301 HydrophobicContact CD1-CG1 4.44Å; F205-I301 HydrophobicContact CE1-CD1 4.44Å; V208-I301 HydrophobicContact CG1-CD1 4.3Å; V208-I301 HydrophobicContact CG1-CG2 4.43Å; D209-I301 HydrophobicContact CB-CG2 4.25Å; V212-I301 HydrophobicContact CG2-CG2 4.3Å; G227-I301 CarbonylContact C-O 3.59Å; G227-I301 WeakPolarHBondContact CA-O 3.21Å; S228-I301 PolarHBondContact N-O 3.3Å; S228-I301 PolarHBondContact O-N 3.21Å; A230-I301 HydrophobicContact CB-CD1 3.98Å
302G96.5Very high96.6Very high0 Ų029 Ų290%016%0.159CC..EExtended strand (participates in β ladder)trans90-141.5-175.400000112.9D209 Y304 K307D209-G302 PolarHBondContact OD1-N 2.87Å; G302-Y304 VanDerWaalsContact C-N 3.28Å; G302-Y304 PolarHBondContact O-N 2.9Å; G302-K307 WeakPolarHBondContact O-CE 3.43Å; G302-K307 PolarHBondContact O-NZ 3.16Å
303D95.9Very high96.7Very high0 Ų030.8 Ų30.80%017%0.166CC..  trans50.938.9179.4-61.5-66.2000114.8H162 V226 G227 L295 S300 Y305 M306 K307 I310H162-D303 IonicContact CD2-OD1 3.76Å; H162-D303 PolarHBondContact CD2-OD1 3.23Å; H162-D303 IonicContact CD2-OD2 3.54Å; H162-D303 IonicContact CE1-OD2 2.77Å; H162-D303 PolarHBondContact CE1-OD2 3.44Å; H162-D303 VanDerWaalsContact CE1-OD2 3.27Å; H162-D303 IonicContact NE2-OD1 3.37Å; H162-D303 PolarHBondContact NE2-OD1 2.76Å; H162-D303 IonicContact NE2-OD2 2.66Å; H162-D303 PolarHBondContact NE2-OD2 2.94Å; V226-D303 PolarHBondContact O-N 2.89Å; G227-D303 WeakPolarHBondContact CA-OD2 3.47Å; L295-D303 HydrophobicContact CD1-CB 4.07Å; S300-D303 WeakPolarHBondContact CB-OD2 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.01Å; D303-Y305 HydrophobicContact CB-CD1 4.49Å; D303-Y305 HydrophobicContact CB-CE1 4.25Å; D303-Y305 PolarHBondContact O-N 3.18Å; D303-M306 PolarHBondContact O-N 3.4Å; D303-K307 PolarHBondContact O-N 3.22Å; D303-I310 HydrophobicContact CB-CG2 4.16Å
304Y94.1Very high96.9Very high44 Ų4430 Ų3017%0.17316%0.157CC..G310 helixtrans-58.5-27.3-173.6-54.4-86.8000113.5D209 V212 A213 H224 G302 M306 K307D209-Y304 PolarHBondContact O-OH 3.08Å; D209-Y304 PolarHBondContact OD1-OH 3.38Å; V212-Y304 HydrophobicContact CG1-CE2 4.25Å; A213-Y304 WeakPolarHBondContact CA-OH 3.42Å; A213-Y304 HydrophobicContact CB-CD1 4.03Å; A213-Y304 HydrophobicContact CB-CE1 3.32Å; A213-Y304 HydrophobicContact CB-CE2 3.95Å; A213-Y304 WeakPolarHBondContact CB-OH 3.18Å; A213-Y304 PolarHBondContact N-OH 3.47Å; H224-Y304 HydrophobicContact CB-CD2 4.12Å; H224-Y304 AromaticContact ND1-CD2 3.9Å; H224-Y304 PolarHBondContact O-N 3.48Å; G302-Y304 VanDerWaalsContact C-N 3.28Å; G302-Y304 PolarHBondContact O-N 2.9Å; Y304-M306 PolarHBondContact O-N 3.15Å; Y304-K307 HydrophobicContact CD1-CD 3.84Å; Y304-K307 HydrophobicContact CE1-CD 4.37Å; Y304-K307 VanDerWaalsContact CE1-CE 3.45Å; Y304-K307 PolarHBondContact O-N 2.91Å
305Y92Very high97Very high96 Ų9629.5 Ų29.538%0.37615%0.15SC..G310 helixtrans-63.9-17.2174.881.6-69.2000114.4G223 H224 T225 V294 D303G223-Y305 WeakPolarHBondContact O-CB 3.48Å; H224-Y305 VanDerWaalsContact O-CD1 3.25Å; H224-Y305 WeakPolarHBondContact O-CD1 3.42Å; T225-Y305 HydrophobicContact CG2-CD1 4.13Å; T225-Y305 HydrophobicContact CG2-CD2 4.36Å; T225-Y305 HydrophobicContact CG2-CE1 4.2Å; T225-Y305 HydrophobicContact CG2-CE2 4.42Å; T225-Y305 HydrophobicContact CG2-CG 4.19Å; V294-Y305 WeakPolarHBondContact CG1-OH 3.45Å; D303-Y305 HydrophobicContact CB-CD1 4.49Å; D303-Y305 HydrophobicContact CB-CE1 4.25Å; D303-Y305 PolarHBondContact O-N 3.18Å
306M94.7Very high97.1Very high3 Ų329.7 Ų29.72%0.01515%0.151CC..G310 helixtrans-111.93.2178.9-66-172.866.900113.6V291 L292 V294 L295 D303 Y304 F309 I310V291-M306 HydrophobicContact CB-CE 3.83Å; V291-M306 HydrophobicContact CG1-CE 3.66Å; V291-M306 VanDerWaalsContact O-CE 3.27Å; V291-M306 WeakPolarHBondContact O-CE 3.46Å; L292-M306 HydrophobicContact CB-CE 4.31Å; L292-M306 HydrophobicContact CD1-CE 4.45Å; L292-M306 HydrophobicContact CG-CE 4.48Å; V294-M306 HydrophobicContact CB-CE 4.23Å; V294-M306 HydrophobicContact CB-SD 4.16Å; V294-M306 HydrophobicContact CG1-SD 4.23Å; L295-M306 HydrophobicContact CB-CE 4.25Å; L295-M306 HydrophobicContact CB-SD 4.27Å; L295-M306 HydrophobicContact CD1-CE 4.12Å; L295-M306 HydrophobicContact CD1-SD 3.35Å; L295-M306 WeakPolarHBondContact CD1-SD 3.11Å; L295-M306 HydrophobicContact CG-CE 4.18Å; L295-M306 HydrophobicContact CG-SD 3.56Å; L295-M306 VanDerWaalsContact CG-SD 3.56Å; D303-M306 PolarHBondContact O-N 3.4Å; Y304-M306 PolarHBondContact O-N 3.15Å; M306-F309 WeakPolarHBondContact O-CA 3.41Å; M306-F309 WeakPolarHBondContact O-CB 3.07Å; M306-F309 VanDerWaalsContact O-CD2 3.31Å; M306-F309 WeakPolarHBondContact O-CD2 3.15Å; M306-F309 PolarHBondContact O-N 3.23Å; M306-I310 HydrophobicContact CB-CB 4.29Å; M306-I310 HydrophobicContact CB-CG1 3.61Å; M306-I310 HydrophobicContact CE-CD1 4.44Å; M306-I310 HydrophobicContact CE-CG1 4.21Å; M306-I310 PolarHBondContact O-N 3.38Å; M306-I310 VanDerWaalsContact O-N 3.14Å; M306-I310 HydrophobicContact SD-CG1 4.47Å
307K95.2Very high97.1Very high66 Ų6630.7 Ų30.729%0.28715%0.154SC..THydrogen-bonded Turntrans-68.8138.3168.7-64.3-173.1-164.3-103.70108.7D209 G302 D303 Y304D209-K307 IonicContact OD1-NZ 3.21Å; D209-K307 PolarHBondContact OD1-NZ 3.5Å; D209-K307 IonicContact OD2-NZ 3.04Å; D209-K307 PolarHBondContact OD2-NZ 2.96Å; G302-K307 WeakPolarHBondContact O-CE 3.43Å; G302-K307 PolarHBondContact O-NZ 3.16Å; D303-K307 PolarHBondContact O-N 3.22Å; Y304-K307 HydrophobicContact CD1-CD 3.84Å; Y304-K307 HydrophobicContact CE1-CD 4.37Å; Y304-K307 VanDerWaalsContact CE1-CE 3.45Å; Y304-K307 PolarHBondContact O-N 2.91Å
308P96.2Very high97Very high88 Ų8832.2 Ų32.257%0.57116%0.164SC*.THydrogen-bonded Turncis-94.2711.838.2-36.7000115.2A279 I310A279-P308 HydrophobicContact CB-CG 4.36Å; P308-I310 VanDerWaalsContact C-N 3.34Å
309F97.5Very high96.8Very high39 Ų3933.2 Ų33.217%0.17117%0.169CC..THydrogen-bonded Turntrans-69.2-35.6-177-43.3-56.8000111.9R275 V276 A279 G281 V291 L292 M306R275-F309 PolarHBondContact NH1-O 3.06Å; V276-F309 HydrophobicContact CG1-CB 4.44Å; A279-F309 HydrophobicContact CB-CD1 4.06Å; A279-F309 HydrophobicContact CB-CE1 4.38Å; A279-F309 WeakPolarHBondContact O-CE1 3.37Å; G281-F309 VanDerWaalsContact CA-CD1 3.43Å; V291-F309 HydrophobicContact CG1-CB 3.65Å; L292-F309 HydrophobicContact CD1-CD2 3.68Å; L292-F309 HydrophobicContact CD1-CE2 3.73Å; L292-F309 HydrophobicContact CG-CD2 4.34Å; M306-F309 WeakPolarHBondContact O-CA 3.41Å; M306-F309 WeakPolarHBondContact O-CB 3.07Å; M306-F309 VanDerWaalsContact O-CD2 3.31Å; M306-F309 WeakPolarHBondContact O-CD2 3.15Å; M306-F309 PolarHBondContact O-N 3.23Å
310I97.9Very high96.6Very high2 Ų238.5 Ų38.51%0.0120%0.195CC..SBendtrans-95.9123.4172.3-58-62.3000109.4V291 L295 T297 S298 S300 D303 M306 P308V291-I310 HydrophobicContact CB-CD1 4.02Å; V291-I310 HydrophobicContact CG1-CD1 4.16Å; V291-I310 HydrophobicContact CG2-CD1 3.86Å; L295-I310 HydrophobicContact CB-CD1 4.4Å; L295-I310 HydrophobicContact CD1-CD1 3.96Å; L295-I310 HydrophobicContact CD1-CG1 3.88Å; T297-I310 VanDerWaalsContact O-CD1 3.3Å; T297-I310 WeakPolarHBondContact O-CD1 3.37Å; S298-I310 WeakPolarHBondContact O-CA 3.37Å; S300-I310 WeakPolarHBondContact OG-CG2 3.21Å; D303-I310 HydrophobicContact CB-CG2 4.16Å; M306-I310 HydrophobicContact CB-CB 4.29Å; M306-I310 HydrophobicContact CB-CG1 3.61Å; M306-I310 HydrophobicContact CE-CD1 4.44Å; M306-I310 HydrophobicContact CE-CG1 4.21Å; M306-I310 PolarHBondContact O-N 3.38Å; M306-I310 VanDerWaalsContact O-N 3.14Å; M306-I310 HydrophobicContact SD-CG1 4.47Å; P308-I310 VanDerWaalsContact C-N 3.34Å
311S97.9Very high96.4Very high27 Ų2739 Ų3919%0.18920%0.197CC..BIsolated β-bridgetrans-102.3145.8176.9-175.70000110.9S298 R299 S300 E313S298-S311 PolarHBondContact O-N 2.95Å; R299-S311 CarbonylContact C-O 3.57Å; R299-S311 WeakPolarHBondContact CA-O 3.41Å; R299-S311 WeakPolarHBondContact CB-O 3.19Å; S300-S311 PolarHBondContact N-O 3.36Å; S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 VanDerWaalsContact OG-CB 3.23Å; S311-E313 WeakPolarHBondContact OG-CB 3.21Å; S311-E313 PolarHBondContact OG-N 2.91Å; S311-E313 VanDerWaalsContact OG-N 3.1Å
312A98.3Very high96.2Very high10 Ų1040.9 Ų40.98%0.08321%0.208CC..  trans-93.36.1169.400000112.6D209 S300 P314D209-A312 HydrophobicContact CB-CB 3.74Å; D209-A312 VanDerWaalsContact CG-CB 3.42Å; D209-A312 WeakPolarHBondContact OD1-CB 3.26Å; S300-A312 WeakPolarHBondContact O-CA 3.42Å; S300-A312 WeakPolarHBondContact O-CB 3.42Å; A312-P314 WeakPolarHBondContact O-CD 3.39Å
313E98.5Very high96.1Very high107 Ų10746.2 Ų46.250%0.523%0.233SC..PPolyproline II helixtrans-75.4118.5-178-173.5-179.417300111.4R299 S311R299-E313 VanDerWaalsContact CD-O 3.22Å; R299-E313 WeakPolarHBondContact CD-O 3.3Å; R299-E313 PolarHBondContact NH1-O 2.86Å; S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 VanDerWaalsContact OG-CB 3.23Å; S311-E313 WeakPolarHBondContact OG-CB 3.21Å; S311-E313 PolarHBondContact OG-N 2.91Å; S311-E313 VanDerWaalsContact OG-N 3.1Å
314P98.6Very high96.2Very high4 Ų451.8 Ų51.83%0.02626%0.257CS..PPolyproline II helixtrans-77.6152.818032.5-34.9000112.1E202 F205 A243 N244 C245 A312 V316E202-P314 HydrophobicContact CG-CG 4.28Å; F205-P314 HydrophobicContact CB-CG 3.9Å; F205-P314 HydrophobicContact CD1-CB 3.71Å; F205-P314 HydrophobicContact CD1-CG 3.87Å; F205-P314 HydrophobicContact CD2-CB 4.36Å; F205-P314 HydrophobicContact CD2-CG 4Å; F205-P314 HydrophobicContact CE1-CB 3.79Å; F205-P314 HydrophobicContact CE1-CG 4.37Å; F205-P314 HydrophobicContact CE2-CB 4.43Å; F205-P314 HydrophobicContact CE2-CG 4.49Å; F205-P314 HydrophobicContact CG-CB 4Å; F205-P314 HydrophobicContact CG-CG 3.66Å; F205-P314 HydrophobicContact CZ-CB 4.16Å; A243-P314 HydrophobicContact CB-CB 4.22Å; N244-P314 CarbonylContact O-C 3.58Å; N244-P314 WeakPolarHBondContact O-CA 3.48Å; C245-P314 HydrophobicContact CB-CB 4.37Å; A312-P314 WeakPolarHBondContact O-CD 3.39Å; P314-V316 HydrophobicContact CB-CG2 4.32Å; P314-V316 HydrophobicContact CG-CG2 4.17Å
315E98.4Very high96.3Very high60 Ų6049.9 Ų49.928%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-90.5132.7158.2-77179.6-179.500109.7A243 N244 H265 R269 R299A243-E315 WeakPolarHBondContact CA-O 3.41Å; N244-E315 PolarHBondContact N-O 3.48Å; N244-E315 PolarHBondContact O-N 3.48Å; H265-E315 WeakPolarHBondContact NE2-CG 3.44Å; H265-E315 IonicContact NE2-OE1 3.5Å; H265-E315 IonicContact NE2-OE2 2.69Å; R269-E315 IonicContact CZ-OE1 3.91Å; R269-E315 IonicContact CZ-OE2 3.81Å; R269-E315 IonicContact NH1-OE1 3.53Å; R269-E315 PolarHBondContact NH1-OE1 3.1Å; R269-E315 IonicContact NH1-OE2 3.1Å; R269-E315 PolarHBondContact NH1-OE2 2.85Å; R269-E315 IonicContact NH2-OE1 3.27Å; R269-E315 PolarHBondContact NH2-OE1 3.03Å; R269-E315 IonicContact NH2-OE2 3.73Å; R299-E315 IonicContact CZ-OE1 3.81Å; R299-E315 IonicContact NH2-OE1 3.17Å; R299-E315 PolarHBondContact NH2-OE1 3.05Å
316V98.1Very high96.6Very high20 Ų2046 Ų4612%0.12124%0.236CC..EExtended strand (participates in β ladder)trans-121.1118-170.9179.20000111.4R198 M201 V241 V242 A243 P314 V318R198-V316 HydrophobicContact CB-CB 4.46Å; R198-V316 HydrophobicContact CG-CB 3.91Å; R198-V316 HydrophobicContact CG-CG1 3.97Å; M201-V316 HydrophobicContact CB-CG1 4.29Å; M201-V316 HydrophobicContact CB-CG2 3.54Å; M201-V316 HydrophobicContact CG-CG1 4.12Å; M201-V316 HydrophobicContact CG-CG2 4.19Å; V241-V316 HydrophobicContact CG1-CG1 4.12Å; V242-V316 CarbonylContact O-C 3.5Å; V242-V316 VanDerWaalsContact O-CA 3.26Å; V242-V316 WeakPolarHBondContact O-CA 3.33Å; A243-V316 HydrophobicContact CB-CG2 3.98Å; P314-V316 HydrophobicContact CB-CG2 4.32Å; P314-V316 HydrophobicContact CG-CG2 4.17Å; V316-V318 HydrophobicContact CG1-CG2 4.48Å
317T97.4Very high96.8Very high54 Ų5445.9 Ų45.933%0.33124%0.235SC..EExtended strand (participates in β ladder)trans-105.4126.1177.7-57.10000110.3V241 V242 L261V241-T317 CarbonylContact C-O 3.53Å; V241-T317 WeakPolarHBondContact CA-O 3.49Å; V242-T317 PolarHBondContact N-O 3.01Å; V242-T317 PolarHBondContact O-N 3.3Å; L261-T317 WeakPolarHBondContact O-CB 3.43Å; L261-T317 PolarHBondContact O-OG1 2.87Å
318V95.3Very high96.9Very high38 Ų3842.7 Ų42.723%0.2322%0.221CC..EExtended strand (participates in β ladder)trans-111.9109.4174.4-177.90000108.8W197 H239 V241 V316W197-V318 HydrophobicContact CB-CG2 3.75Å; W197-V318 HydrophobicContact CG-CG2 4.33Å; H239-V318 HydrophobicContact CB-CG1 4.18Å; V241-V318 HydrophobicContact CG1-CG2 4.17Å; V241-V318 HydrophobicContact CG2-CG1 4.27Å; V241-V318 HydrophobicContact CG2-CG2 4.29Å; V316-V318 HydrophobicContact CG1-CG2 4.48Å
319T95.2Very high97.1Very high20 Ų2038.5 Ų38.512%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-108.2123.8-175.3-59.40000110.8H239 I240 L252 L261H239-T319 CarbonylContact C-O 3.51Å; H239-T319 VanDerWaalsContact CA-O 3.27Å; H239-T319 WeakPolarHBondContact CA-O 3.48Å; I240-T319 PolarHBondContact N-O 3.5Å; I240-T319 PolarHBondContact O-N 3.4Å; L252-T319 HydrophobicContact CD2-CG2 4.43Å; L261-T319 HydrophobicContact CD2-CG2 4.4Å
320E93.8Very high97.1Very high130 Ų13036.7 Ų36.761%0.60719%0.186SC*.EExtended strand (participates in β ladder)trans-66.7132.5169.7-170.2177.4-177.200110.6R254R254-E320 PolarHBondContact NH2-O 2.69Å
321R94.7Very high97.2Very high10 Ų1036.6 Ų36.64%0.03819%0.185CC..  trans-75.9149.3179.7-73-176.670.2-170.1-2.4111.5W106 P107 G236 R238 I240 D325W106-R321 VanDerWaalsContact CB-CZ 3.43Å; W106-R321 HydrophobicContact CG-CB 3.96Å; W106-R321 VanDerWaalsContact NE1-C 3.29Å; W106-R321 PolarHBondContact NE1-O 2.78Å; P107-R321 PolarHBondContact O-NH1 3.47Å; P107-R321 PolarHBondContact O-NH2 2.9Å; G236-R321 WeakPolarHBondContact O-CD 3.42Å; G236-R321 PolarHBondContact O-NH1 2.93Å; R238-R321 WeakPolarHBondContact O-CB 3.35Å; R238-R321 PolarHBondContact O-N 2.81Å; I240-R321 HydrophobicContact CD1-CG 3.93Å; I240-R321 HydrophobicContact CG1-CG 3.73Å; R321-D325 VanDerWaalsContact CA-OD2 3.24Å; R321-D325 WeakPolarHBondContact CA-OD2 3.48Å
322T95.2Very high97.2Very high40 Ų4035.3 Ų35.325%0.24518%0.176CC..  trans-135.4161.7177.3770000111.8K324 D325T322-K324 PolarHBondContact O-N 3.38Å; T322-K324 PolarHBondContact OG1-N 3.12Å; T322-D325 PolarHBondContact N-OD2 2.87Å; T322-D325 WeakPolarHBondContact O-CB 3.44Å; T322-D325 PolarHBondContact O-N 2.9Å; T322-D325 PolarHBondContact OG1-OD1 3.15Å; T322-D325 VanDerWaalsContact OG1-OD1 3.06Å
323H94.2Very high97.2Very high112 Ų11235.9 Ų35.952%0.51918%0.178SC..THydrogen-bonded Turntrans-61.6-13174.162.1-87.2000114.3W106 K397W106-H323 VanDerWaalsContact CH2-CA 3.47Å; W106-H323 HydrophobicContact CH2-CB 3.39Å; W106-H323 HydrophobicContact CZ2-CB 4.31Å; W106-H323 HydrophobicContact CZ3-CB 3.59Å; H323-K397 PolarHBondContact O-NZ 3.15Å
324K96.3Very high97.2Very high117 Ų11730.8 Ų30.851%0.50916%0.155SC..THydrogen-bonded Turntrans-86.5-12.1178.6-61.8-177.7-178.9173.40112.3R254 G255 T322 E326R254-K324 HydrophobicContact CG-CB 3.97Å; G255-K324 PolarHBondContact N-O 3.32Å; T322-K324 PolarHBondContact O-N 3.38Å; T322-K324 PolarHBondContact OG1-N 3.12Å; K324-E326 WeakPolarHBondContact O-CG 3.42Å; K324-E326 PolarHBondContact O-N 2.88Å
325D97.7Very high97.2Very high5 Ų530.6 Ų30.63%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-69121.6-178.9-62-12.7000109.7L252 R254 R321 T322 L396L252-D325 HydrophobicContact CD1-CB 4.12Å; R254-D325 IonicContact CZ-OD1 2.78Å; R254-D325 IonicContact NE-OD1 3.13Å; R254-D325 PolarHBondContact NE-OD1 3.48Å; R254-D325 IonicContact NH2-OD1 3.86Å; R254-D325 PolarHBondContact NH2-OD1 2.9Å; R254-D325 IonicContact NH2-OD2 2.69Å; R254-D325 PolarHBondContact NH2-OD2 2.98Å; R321-D325 VanDerWaalsContact CA-OD2 3.24Å; R321-D325 WeakPolarHBondContact CA-OD2 3.48Å; T322-D325 PolarHBondContact N-OD2 2.87Å; T322-D325 WeakPolarHBondContact O-CB 3.44Å; T322-D325 PolarHBondContact O-N 2.9Å; T322-D325 PolarHBondContact OG1-OD1 3.15Å; T322-D325 VanDerWaalsContact OG1-OD1 3.06Å; D325-L396 HydrophobicContact CB-CD1 3.77Å
326E97.6Very high97.2Very high14 Ų1428.3 Ų28.37%0.06514%0.142CC..EExtended strand (participates in β ladder)trans-99.9-55.4-173.9-58.6-169154.800110.9S253 K324 R349 L396 K397 L399S253-E326 PolarHBondContact O-N 3.12Å; S253-E326 PolarHBondContact OG-OE2 3.1Å; K324-E326 WeakPolarHBondContact O-CG 3.42Å; K324-E326 PolarHBondContact O-N 2.88Å; E326-R349 IonicContact OE1-CZ 3.74Å; E326-R349 IonicContact OE1-NE 3.37Å; E326-R349 PolarHBondContact OE1-NE 3.13Å; E326-R349 VanDerWaalsContact OE1-NE 3.17Å; E326-R349 IonicContact OE1-NH2 3.83Å; E326-R349 PolarHBondContact OE1-NH2 2.88Å; E326-R349 VanDerWaalsContact OE2-CD 3.24Å; E326-R349 WeakPolarHBondContact OE2-CD 3.49Å; E326-R349 IonicContact OE2-CZ 3.98Å; E326-R349 IonicContact OE2-NE 3.34Å; E326-R349 PolarHBondContact OE2-NE 2.76Å; E326-R349 IonicContact OE2-NH2 2.76Å; E326-L396 PolarHBondContact O-N 3.07Å; E326-K397 PolarHBondContact O-N 3.09Å; E326-K397 VanDerWaalsContact O-N 3.13Å; E326-L399 HydrophobicContact CB-CD1 4.35Å; E326-L399 HydrophobicContact CB-CD2 4.06Å; E326-L399 HydrophobicContact CG-CD2 3.86Å
327F98.6Very high97.1Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-163.6164.4-179.355.3-91.4000111.2S253 I329 C345 A348 R349 L352 V394 L399S253-F327 VanDerWaalsContact CB-CE2 3.48Å; S253-F327 PolarHBondContact N-O 3.04Å; F327-I329 HydrophobicContact CD2-CD1 4.36Å; F327-I329 HydrophobicContact CD2-CG1 3.93Å; F327-I329 HydrophobicContact CE2-CD1 3.85Å; F327-I329 HydrophobicContact CE2-CG1 3.93Å; F327-C345 HydrophobicContact CZ-CB 4.34Å; F327-C345 WeakPolarHBondContact CZ-O 3.22Å; F327-A348 HydrophobicContact CD2-CB 4.21Å; F327-A348 HydrophobicContact CE2-CB 3.62Å; F327-A348 HydrophobicContact CZ-CB 3.86Å; F327-R349 HydrophobicContact CE1-CB 3.76Å; F327-R349 HydrophobicContact CE1-CG 4.16Å; F327-R349 HydrophobicContact CZ-CB 3.96Å; F327-L352 HydrophobicContact CB-CD1 3.88Å; F327-L352 HydrophobicContact CD1-CD1 3.43Å; F327-L352 VanDerWaalsContact CD1-CD1 3.43Å; F327-L352 HydrophobicContact CD2-CD1 4.41Å; F327-L352 HydrophobicContact CE1-CD1 4.1Å; F327-L352 HydrophobicContact CG-CD1 3.63Å; F327-V394 CarbonylContact C-O 3.46Å; F327-V394 WeakPolarHBondContact CA-O 3.48Å; F327-V394 WeakPolarHBondContact CB-O 3.39Å; F327-L399 HydrophobicContact CD1-CD1 4.31Å; F327-L399 HydrophobicContact CE1-CD1 4.3Å
328I98.8Very high97.1Very high0 Ų030.7 Ų30.70%015%0.153CC..EExtended strand (participates in β ladder)trans-114.5143.2172.3-51.7165.9000108.4V235 I240 V251 L252 L330 V393 V394 L396V235-I328 HydrophobicContact CG2-CD1 3.69Å; I240-I328 HydrophobicContact CD1-CD1 3.93Å; I240-I328 HydrophobicContact CD1-CG1 4.43Å; I240-I328 HydrophobicContact CG1-CD1 4.09Å; I240-I328 HydrophobicContact CG2-CD1 3.74Å; V251-I328 CarbonylContact O-C 3.56Å; V251-I328 WeakPolarHBondContact O-CA 3.31Å; L252-I328 HydrophobicContact CD1-CG1 4.05Å; I328-L330 HydrophobicContact CG2-CD1 3.83Å; I328-V393 CarbonylContact O-C 3.54Å; I328-V393 WeakPolarHBondContact O-CA 3.4Å; I328-V394 HydrophobicContact CB-CB 4.28Å; I328-V394 PolarHBondContact N-O 2.86Å; I328-V394 PolarHBondContact O-N 3.09Å; I328-L396 HydrophobicContact CD1-CD1 4.16Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG1-CD1 3.91Å; I328-L396 HydrophobicContact CG1-CG 4.38Å
329I98.9Very high97.1Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-117.2124.1169.3-54.1174.3000107.6A250 V251 F327 L335 W336 A344 A348 L376 V391 V392 V393A250-I329 CarbonylContact C-O 3.42Å; A250-I329 WeakPolarHBondContact CA-O 3.38Å; V251-I329 PolarHBondContact N-O 3.46Å; V251-I329 PolarHBondContact O-N 3.45Å; F327-I329 HydrophobicContact CD2-CD1 4.36Å; F327-I329 HydrophobicContact CD2-CG1 3.93Å; F327-I329 HydrophobicContact CE2-CD1 3.85Å; F327-I329 HydrophobicContact CE2-CG1 3.93Å; I329-L335 HydrophobicContact CG2-CD2 4.16Å; I329-W336 HydrophobicContact CB-CH2 4.2Å; I329-W336 HydrophobicContact CB-CZ2 4.49Å; I329-W336 HydrophobicContact CG2-CH2 3.79Å; I329-W336 HydrophobicContact CG2-CZ2 3.88Å; I329-A344 HydrophobicContact CD1-CB 3.95Å; I329-A348 HydrophobicContact CD1-CB 3.87Å; I329-A348 HydrophobicContact CG1-CB 4.49Å; I329-L376 HydrophobicContact CD1-CD1 4.02Å; I329-L376 HydrophobicContact CG1-CD1 4.42Å; I329-L376 HydrophobicContact CG2-CD1 4.09Å; I329-V391 HydrophobicContact CG2-CG1 4.05Å; I329-V392 CarbonylContact C-O 3.42Å; I329-V392 WeakPolarHBondContact CA-O 3.45Å; I329-V393 HydrophobicContact CG1-CG2 4.48Å
330L98.9Very high97.2Very high0 Ų028.9 Ų28.90%014%0.143CC..EExtended strand (participates in β ladder)trans-107142163.4-61.579.2000107.3F156 V158 V231 A233 R249 A250 I328 V391 V392F156-L330 HydrophobicContact CB-CD1 4.33Å; F156-L330 HydrophobicContact CB-CD2 4.37Å; V158-L330 HydrophobicContact CG2-CB 3.85Å; V231-L330 HydrophobicContact CG1-CB 4.31Å; V231-L330 HydrophobicContact CG1-CD2 4.31Å; A233-L330 HydrophobicContact CB-CD1 4.12Å; A233-L330 HydrophobicContact CB-CD2 3.95Å; A233-L330 HydrophobicContact CB-CG 4.45Å; R249-L330 WeakPolarHBondContact O-CA 3.46Å; A250-L330 HydrophobicContact CB-CG 4.25Å; I328-L330 HydrophobicContact CG2-CD1 3.83Å; L330-V391 CarbonylContact O-C 3.58Å; L330-V391 WeakPolarHBondContact O-CA 3.43Å; L330-V392 HydrophobicContact CB-CB 4.28Å; L330-V392 HydrophobicContact CD1-CB 4.46Å; L330-V392 PolarHBondContact N-O 3.45Å; L330-V392 PolarHBondContact O-N 3.37Å
331G98.8Very high97.4Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-159.5158.9171.900000114.3S248 R249 W336 S390S248-G331 WeakPolarHBondContact CA-O 3.37Å; S248-G331 WeakPolarHBondContact CB-O 3.43Å; R249-G331 PolarHBondContact N-O 3.02Å; R249-G331 PolarHBondContact O-N 2.97Å; G331-W336 VanDerWaalsContact C-NE1 3.29Å; G331-W336 VanDerWaalsContact O-CD1 3.3Å; G331-W336 PolarHBondContact O-NE1 2.68Å; G331-S390 CarbonylContact C-O 3.58Å; G331-S390 WeakPolarHBondContact CA-O 3.27Å
332S98.8Very high97.5Very high0 Ų027.5 Ų27.50%014%0.137CC..  trans-72.2167.7168.345.30000111.2D126 D160 G334 L335 S390D126-S332 PolarHBondContact OD2-OG 3.26Å; D160-S332 WeakPolarHBondContact OD2-CB 3.5Å; S332-G334 PolarHBondContact O-N 3.46Å; S332-L335 PolarHBondContact O-N 2.72Å; S332-S390 PolarHBondContact N-O 3.29Å; S332-S390 VanDerWaalsContact N-O 3.07Å; S332-S390 PolarHBondContact OG-N 3.25Å
333D98Very high97.6Very high22 Ų2225.7 Ų25.712%0.11813%0.126CC..Hα-helixtrans-63.2-24.2-179.373.5-3.3000112.2D160 L335 W336 D337D160-D333 PolarHBondContact OD2-N 3.42Å; D333-L335 CarbonylContact O-C 3.43Å; D333-L335 PolarHBondContact O-N 3.2Å; D333-W336 PolarHBondContact O-N 3.46Å; D333-D337 VanDerWaalsContact O-CB 3.3Å; D333-D337 WeakPolarHBondContact O-CB 3.17Å; D333-D337 PolarHBondContact O-N 3.11Å
334G98.2Very high97.8Very high1 Ų120.3 Ų20.31%0.0110%0.102CC..Hα-helixtrans-55.7-20.6171.300000114.7S332 S385 N388S332-G334 PolarHBondContact O-N 3.46Å; G334-S385 VanDerWaalsContact O-CB 3.3Å; G334-S385 WeakPolarHBondContact O-CB 3.27Å; G334-S385 PolarHBondContact O-OG 3.26Å; G334-N388 WeakPolarHBondContact CA-O 3.44Å
335L98.5Very high97.8Very high0 Ų014.9 Ų14.90%08%0.078CC..Hα-helixtrans-86.9-53.8164.6175.766.4000111.6I329 S332 D333 V338 M339 L376 A380 I389 V391I329-L335 HydrophobicContact CG2-CD2 4.16Å; S332-L335 PolarHBondContact O-N 2.72Å; D333-L335 CarbonylContact O-C 3.43Å; D333-L335 PolarHBondContact O-N 3.2Å; L335-V338 WeakPolarHBondContact O-CG2 3.44Å; L335-V338 PolarHBondContact O-N 3.44Å; L335-M339 HydrophobicContact CD1-CB 4.41Å; L335-M339 HydrophobicContact CD1-CE 4.47Å; L335-M339 HydrophobicContact CD1-CG 4.41Å; L335-M339 HydrophobicContact CD1-SD 3.52Å; L335-M339 VanDerWaalsContact CD1-SD 3.52Å; L335-M339 WeakPolarHBondContact O-CB 3.48Å; L335-M339 PolarHBondContact O-N 2.92Å; L335-M339 VanDerWaalsContact O-N 3.1Å; L335-L376 HydrophobicContact CD1-CB 4.28Å; L335-A380 HydrophobicContact CD1-CB 4.07Å; L335-I389 HydrophobicContact CB-CG2 4.34Å; L335-V391 HydrophobicContact CB-CG2 4.26Å; L335-V391 HydrophobicContact CD1-CG2 4.37Å; L335-V391 HydrophobicContact CD2-CG1 4.32Å; L335-V391 HydrophobicContact CD2-CG2 3.86Å; L335-V391 HydrophobicContact CG-CG2 4.38Å
336W98.5Very high97.7Very high12 Ų1217.2 Ų17.25%0.0459%0.088CC..Hα-helixtrans-75.1-25.8-164.7-57.6117.8000114.5R249 V251 I329 G331 D333 V338 M339 A344R249-W336 HydrophobicContact CB-CD2 4.21Å; R249-W336 HydrophobicContact CB-CG 4.14Å; R249-W336 HydrophobicContact CB-CZ2 4.38Å; R249-W336 PolarHBondContact O-NE1 3.44Å; V251-W336 HydrophobicContact CB-CH2 4.16Å; V251-W336 HydrophobicContact CG2-CH2 3.63Å; V251-W336 HydrophobicContact CG2-CZ2 4.13Å; V251-W336 HydrophobicContact CG2-CZ3 4.07Å; I329-W336 HydrophobicContact CB-CH2 4.2Å; I329-W336 HydrophobicContact CB-CZ2 4.49Å; I329-W336 HydrophobicContact CG2-CH2 3.79Å; I329-W336 HydrophobicContact CG2-CZ2 3.88Å; G331-W336 VanDerWaalsContact C-NE1 3.29Å; G331-W336 VanDerWaalsContact O-CD1 3.3Å; G331-W336 PolarHBondContact O-NE1 2.68Å; D333-W336 PolarHBondContact O-N 3.46Å; W336-V338 PolarHBondContact O-N 3.17Å; W336-M339 PolarHBondContact O-N 3.1Å; W336-A344 HydrophobicContact CH2-CB 4.15Å; W336-A344 HydrophobicContact CZ3-CB 3.68Å
337D96.5Very high97.6Very high100 Ų10016.7 Ų16.754%0.5359%0.086SC..THydrogen-bonded Turntrans-64.6-27.2175.4-85.66.4000112.4D333D333-D337 VanDerWaalsContact O-CB 3.3Å; D333-D337 WeakPolarHBondContact O-CB 3.17Å; D333-D337 PolarHBondContact O-N 3.11Å
338V96.7Very high97.5Very high23 Ų2316.7 Ų16.714%0.1399%0.086CC..THydrogen-bonded Turntrans-111-10.9-178.8-64.30000113.3L335 W336 A380 R383L335-V338 WeakPolarHBondContact O-CG2 3.44Å; L335-V338 PolarHBondContact O-N 3.44Å; W336-V338 PolarHBondContact O-N 3.17Å; V338-A380 HydrophobicContact CG2-CB 3.72Å; V338-R383 HydrophobicContact CB-CB 4Å; V338-R383 HydrophobicContact CG2-CB 4.35Å; V338-R383 PolarHBondContact O-NE 2.98Å; V338-R383 PolarHBondContact O-NH2 3.45Å
339M94.4Very high97.3Very high1 Ų121.6 Ų21.61%0.00510%0.104CC..  trans-135.2125.3-177-67.8-179.164.900112.5L335 W336 V343 A344 V347 L376 F379 A380L335-M339 HydrophobicContact CD1-CB 4.41Å; L335-M339 HydrophobicContact CD1-CE 4.47Å; L335-M339 HydrophobicContact CD1-CG 4.41Å; L335-M339 HydrophobicContact CD1-SD 3.52Å; L335-M339 VanDerWaalsContact CD1-SD 3.52Å; L335-M339 WeakPolarHBondContact O-CB 3.48Å; L335-M339 PolarHBondContact O-N 2.92Å; L335-M339 VanDerWaalsContact O-N 3.1Å; W336-M339 PolarHBondContact O-N 3.1Å; M339-V343 HydrophobicContact CE-CB 4.2Å; M339-V343 HydrophobicContact CE-CG1 3.94Å; M339-A344 HydrophobicContact CE-CB 4.28Å; M339-V347 HydrophobicContact CE-CG2 4.28Å; M339-L376 HydrophobicContact CE-CD2 3.79Å; M339-F379 HydrophobicContact CE-CB 4.37Å; M339-F379 HydrophobicContact CE-CD1 3.52Å; M339-F379 HydrophobicContact CE-CE1 3.9Å; M339-F379 HydrophobicContact CE-CG 4.08Å; M339-F379 HydrophobicContact CG-CD1 3.97Å; M339-F379 HydrophobicContact CG-CE1 4.29Å; M339-F379 HydrophobicContact SD-CB 4.05Å; M339-F379 HydrophobicContact SD-CD1 3.4Å; M339-F379 WeakPolarHBondContact SD-CD1 3.3Å; M339-F379 HydrophobicContact SD-CE1 4.16Å; M339-F379 HydrophobicContact SD-CG 4.09Å; M339-A380 HydrophobicContact SD-CB 4.26Å
340S97.6Very high97.1Very high19 Ų1922.4 Ų22.413%0.13311%0.109CC..  trans-69.7160.9169.691.60000112.1E342 V343 A344S340-E342 VanDerWaalsContact CB-OE2 3.29Å; S340-E342 WeakPolarHBondContact CB-OE2 3.14Å; S340-E342 PolarHBondContact O-N 3.05Å; S340-E342 PolarHBondContact OG-N 2.53Å; S340-E342 PolarHBondContact OG-OE2 3.27Å; S340-V343 PolarHBondContact O-N 3.03Å; S340-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 VanDerWaalsContact OG-CG2 3.23Å; S340-V343 WeakPolarHBondContact OG-CG2 3.39Å; S340-V343 PolarHBondContact OG-N 3.18Å; S340-A344 PolarHBondContact O-N 3.03Å
341N98.3Very high96.8Very high24 Ų2422.4 Ų22.413%0.12811%0.109CC..Hα-helixtrans-55.8-39.8178.1-60.9-22.4000112R249 V251 P258 A344 C345R249-N341 PolarHBondContact NH1-OD1 2.86Å; V251-N341 HydrophobicContact CG1-CB 4.19Å; V251-N341 HydrophobicContact CG2-CB 4.35Å; V251-N341 WeakPolarHBondContact CG2-OD1 3.39Å; P258-N341 HydrophobicContact CB-CB 3.89Å; P258-N341 HydrophobicContact CG-CB 4.39Å; N341-A344 PolarHBondContact O-N 3.36Å; N341-C345 WeakPolarHBondContact O-CB 3.49Å; N341-C345 PolarHBondContact O-N 3.08Å; N341-C345 PolarHBondContact O-SG 2.66Å
342E97.9Very high96.7Very high87 Ų8722.6 Ų22.641%0.40711%0.11SC..Hα-helixtrans-64-42.9178-59.565.1-140.600111.2P258 S340 K346P258-E342 HydrophobicContact CG-CB 4.48Å; P258-E342 HydrophobicContact CG-CG 3.94Å; S340-E342 VanDerWaalsContact CB-OE2 3.29Å; S340-E342 WeakPolarHBondContact CB-OE2 3.14Å; S340-E342 PolarHBondContact O-N 3.05Å; S340-E342 PolarHBondContact OG-N 2.53Å; S340-E342 PolarHBondContact OG-OE2 3.27Å; E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 2.69Å
343V96.5Very high96.4Very high2 Ų223.5 Ų23.51%0.01212%0.116CC..Hα-helixtrans-64.5-50.4178.3-160.60000110P33 M339 S340 C345 K346 V347 F379P33-V343 HydrophobicContact CG-CB 3.96Å; P33-V343 HydrophobicContact CG-CG1 3.73Å; P33-V343 HydrophobicContact CG-CG2 3.23Å; M339-V343 HydrophobicContact CE-CB 4.2Å; M339-V343 HydrophobicContact CE-CG1 3.94Å; S340-V343 PolarHBondContact O-N 3.03Å; S340-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 VanDerWaalsContact OG-CG2 3.23Å; S340-V343 WeakPolarHBondContact OG-CG2 3.39Å; S340-V343 PolarHBondContact OG-N 3.18Å; V343-C345 PolarHBondContact O-N 2.78Å; V343-K346 PolarHBondContact O-N 2.77Å; V343-V347 HydrophobicContact CG1-CG2 4.3Å; V343-V347 WeakPolarHBondContact O-CB 3.14Å; V343-V347 VanDerWaalsContact O-CG2 3.3Å; V343-V347 WeakPolarHBondContact O-CG2 3.07Å; V343-V347 PolarHBondContact O-N 3.49Å; V343-F379 HydrophobicContact CG1-CE1 3.72Å; V343-F379 HydrophobicContact CG1-CZ 3.85Å
344A97.6Very high96.1Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-59.6-49.1-177.300000110.8I329 W336 M339 S340 N341 K346 V347 A348 L376I329-A344 HydrophobicContact CD1-CB 3.95Å; W336-A344 HydrophobicContact CH2-CB 4.15Å; W336-A344 HydrophobicContact CZ3-CB 3.68Å; M339-A344 HydrophobicContact CE-CB 4.28Å; S340-A344 PolarHBondContact O-N 3.03Å; N341-A344 PolarHBondContact O-N 3.36Å; A344-K346 PolarHBondContact O-N 3.47Å; A344-V347 PolarHBondContact O-N 2.7Å; A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.63Å; A344-L376 HydrophobicContact CB-CD2 4.06Å
345C97.5Very high95.7Very high3 Ų327.4 Ų27.42%0.0214%0.135CC..Hα-helixtrans-59.6-44.3176.2-780000112.1P258 F327 N341 V343 V347 R349P258-C345 HydrophobicContact CB-CB 4.38Å; F327-C345 HydrophobicContact CZ-CB 4.34Å; F327-C345 WeakPolarHBondContact CZ-O 3.22Å; N341-C345 WeakPolarHBondContact O-CB 3.49Å; N341-C345 PolarHBondContact O-N 3.08Å; N341-C345 PolarHBondContact O-SG 2.66Å; V343-C345 PolarHBondContact O-N 2.78Å; C345-V347 PolarHBondContact O-N 2.91Å; C345-R349 WeakPolarHBondContact O-CB 3.26Å; C345-R349 PolarHBondContact O-N 3.08Å
346K95.7Very high95.1Very high54 Ų5427.6 Ų27.624%0.23514%0.136CC..Hα-helixtrans-64.5-41.2179.2-177.2-177.4-179.5-168.40112.6P33 T34 P35 T38 E342 V343 A344 N350P33-K346 PolarHBondContact O-NZ 3.04Å; T34-K346 VanDerWaalsContact C-NZ 3.34Å; T34-K346 PolarHBondContact O-NZ 3.22Å; P35-K346 VanDerWaalsContact N-NZ 3.16Å; T38-K346 HydrophobicContact CG2-CD 4.5Å; T38-K346 WeakPolarHBondContact OG1-CE 3.4Å; T38-K346 PolarHBondContact OG1-NZ 2.94Å; E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 2.69Å; V343-K346 PolarHBondContact O-N 2.77Å; A344-K346 PolarHBondContact O-N 3.47Å; K346-N350 WeakPolarHBondContact O-CB 3.11Å; K346-N350 VanDerWaalsContact O-CG 3.24Å; K346-N350 PolarHBondContact O-N 3.24Å; K346-N350 PolarHBondContact O-ND2 3.17Å
347V94.6Very high94.4Very high2 Ų228 Ų281%0.01214%0.142CC..Hα-helixtrans-64.4-52.8177170.20000110.3T38 M339 V343 A344 C345 R349 N350 C351 V375 L376 F379T38-V347 HydrophobicContact CG2-CG2 3.69Å; M339-V347 HydrophobicContact CE-CG2 4.28Å; V343-V347 HydrophobicContact CG1-CG2 4.3Å; V343-V347 WeakPolarHBondContact O-CB 3.14Å; V343-V347 VanDerWaalsContact O-CG2 3.3Å; V343-V347 WeakPolarHBondContact O-CG2 3.07Å; V343-V347 PolarHBondContact O-N 3.49Å; A344-V347 PolarHBondContact O-N 2.7Å; C345-V347 PolarHBondContact O-N 2.91Å; V347-R349 PolarHBondContact O-N 3.01Å; V347-N350 PolarHBondContact O-N 3.41Å; V347-C351 PolarHBondContact O-N 3.02Å; V347-V375 HydrophobicContact CG1-CG1 3.57Å; V347-L376 HydrophobicContact CB-CD2 3.97Å; V347-L376 HydrophobicContact CG1-CD2 3.84Å; V347-L376 HydrophobicContact CG1-CG 4.35Å; V347-F379 HydrophobicContact CG2-CD2 3.97Å; V347-F379 HydrophobicContact CG2-CE2 3.82Å; V347-F379 HydrophobicContact CG2-CZ 4.22Å
348A96.2Very high94Very high0 Ų028 Ų280%015%0.15CC..Hα-helixtrans-58.1-47178.700000111.7F327 I329 A344 N350 C351 L352 A372 L376F327-A348 HydrophobicContact CD2-CB 4.21Å; F327-A348 HydrophobicContact CE2-CB 3.62Å; F327-A348 HydrophobicContact CZ-CB 3.86Å; I329-A348 HydrophobicContact CD1-CB 3.87Å; I329-A348 HydrophobicContact CG1-CB 4.49Å; A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.63Å; A348-N350 PolarHBondContact O-N 3.42Å; A348-C351 WeakPolarHBondContact O-CB 3.49Å; A348-C351 PolarHBondContact O-N 3.27Å; A348-C351 VanDerWaalsContact O-N 3.15Å; A348-L352 WeakPolarHBondContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.46Å; A348-A372 HydrophobicContact CB-CB 4.46Å; A348-L376 HydrophobicContact CB-CD1 4.3Å
349R95.6Very high93.5Very high103 Ų10331.3 Ų31.339%0.38916%0.162SC..Hα-helixtrans-60.6-43.7177.9-166.8178.1-167.9-116.22112.9E326 F327 C345 V347 C351 L352 C353 L399E326-R349 IonicContact OE1-CZ 3.74Å; E326-R349 IonicContact OE1-NE 3.37Å; E326-R349 PolarHBondContact OE1-NE 3.13Å; E326-R349 VanDerWaalsContact OE1-NE 3.17Å; E326-R349 IonicContact OE1-NH2 3.83Å; E326-R349 PolarHBondContact OE1-NH2 2.88Å; E326-R349 VanDerWaalsContact OE2-CD 3.24Å; E326-R349 WeakPolarHBondContact OE2-CD 3.49Å; E326-R349 IonicContact OE2-CZ 3.98Å; E326-R349 IonicContact OE2-NE 3.34Å; E326-R349 PolarHBondContact OE2-NE 2.76Å; E326-R349 IonicContact OE2-NH2 2.76Å; F327-R349 HydrophobicContact CE1-CB 3.76Å; F327-R349 HydrophobicContact CE1-CG 4.16Å; F327-R349 HydrophobicContact CZ-CB 3.96Å; C345-R349 WeakPolarHBondContact O-CB 3.26Å; C345-R349 PolarHBondContact O-N 3.08Å; V347-R349 PolarHBondContact O-N 3.01Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.39Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-C353 WeakPolarHBondContact O-CB 3.29Å; R349-C353 PolarHBondContact O-N 3.38Å; R349-C353 PolarHBondContact O-SG 3.5Å; R349-L399 HydrophobicContact CG-CD1 3.75Å
350N93.4Very high93.1Very high18 Ų1832.5 Ų32.510%0.09617%0.167CC..Hα-helixtrans-63.9-34.3176.7-79.9-26.9000112K346 V347 A348 R355 A356K346-N350 WeakPolarHBondContact O-CB 3.11Å; K346-N350 VanDerWaalsContact O-CG 3.24Å; K346-N350 PolarHBondContact O-N 3.24Å; K346-N350 PolarHBondContact O-ND2 3.17Å; V347-N350 PolarHBondContact O-N 3.41Å; A348-N350 PolarHBondContact O-N 3.42Å; N350-R355 WeakPolarHBondContact O-CB 3.21Å; N350-R355 PolarHBondContact O-N 3.1Å; N350-R355 VanDerWaalsContact O-N 3.11Å; N350-R355 WeakPolarHBondContact OD1-CD 3.42Å; N350-A356 PolarHBondContact O-N 2.99Å
351C93.9Very high92.5Very high0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-68.6-56.4172.8-173.30000111.2V347 A348 R349 C353 G354 A356 S367 D371 A372V347-C351 PolarHBondContact O-N 3.02Å; A348-C351 WeakPolarHBondContact O-CB 3.49Å; A348-C351 PolarHBondContact O-N 3.27Å; A348-C351 VanDerWaalsContact O-N 3.15Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.39Å; C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 2.8Å; C351-G354 WeakPolarHBondContact O-CA 3.23Å; C351-G354 PolarHBondContact O-N 2.92Å; C351-A356 HydrophobicContact CB-CB 4.48Å; C351-S367 WeakPolarHBondContact O-CA 3.3Å; C351-S367 VanDerWaalsContact O-CB 3.27Å; C351-S367 WeakPolarHBondContact O-CB 3.39Å; C351-D371 VanDerWaalsContact SG-C 3.55Å; C351-D371 VanDerWaalsContact SG-CB 3.55Å; C351-A372 HydrophobicContact CB-CB 4.01Å; C351-A372 VanDerWaalsContact SG-CA 3.59Å; C351-A372 PolarHBondContact SG-N 3.19Å; C351-A372 VanDerWaalsContact SG-N 3.38Å
352L95.3Very high91.7Very high3 Ų339.3 Ų39.32%0.01620%0.203CC..Hα-helixtrans-60.8-34.3-175.9-71.4170.4000114F327 A348 R349 G354 A369 A372 V393 E395 L399F327-L352 HydrophobicContact CB-CD1 3.88Å; F327-L352 HydrophobicContact CD1-CD1 3.43Å; F327-L352 VanDerWaalsContact CD1-CD1 3.43Å; F327-L352 HydrophobicContact CD2-CD1 4.41Å; F327-L352 HydrophobicContact CE1-CD1 4.1Å; F327-L352 HydrophobicContact CG-CD1 3.63Å; A348-L352 WeakPolarHBondContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.46Å; R349-L352 PolarHBondContact O-N 2.77Å; L352-G354 PolarHBondContact O-N 3.31Å; L352-A369 HydrophobicContact CD2-CB 4.44Å; L352-A372 HydrophobicContact CD2-CB 4.27Å; L352-A372 HydrophobicContact CG-CB 4.09Å; L352-V393 HydrophobicContact CD1-CG1 4.33Å; L352-E395 HydrophobicContact CD2-CB 4.37Å; L352-E395 HydrophobicContact CD2-CG 4.21Å; L352-L399 HydrophobicContact CB-CD1 4.13Å
353C93.8Very high90.7Very high19 Ų1936.5 Ų36.513%0.12819%0.192CC..THydrogen-bonded Turntrans-78.9-2.9175.872.60000114R349 C351 R355 L399 W401R349-C353 WeakPolarHBondContact O-CB 3.29Å; R349-C353 PolarHBondContact O-N 3.38Å; R349-C353 PolarHBondContact O-SG 3.5Å; C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 2.8Å; C353-R355 VanDerWaalsContact C-N 3.31Å; C353-R355 PolarHBondContact O-N 2.97Å; C353-R355 VanDerWaalsContact SG-CB 3.56Å; C353-L399 HydrophobicContact CB-CB 3.91Å; C353-W401 HydrophobicContact CB-CB 4.38Å; C353-W401 VanDerWaalsContact O-CB 3.25Å; C353-W401 WeakPolarHBondContact O-CB 3.37Å; C353-W401 PolarHBondContact O-N 3.02Å
354G91.4Very high89.9Confident20 Ų2036.6 Ų36.621%0.20619%0.193CC..THydrogen-bonded Turntrans82.1-0.1-178.700000115C351 L352 A356 A357 S358C351-G354 WeakPolarHBondContact O-CA 3.23Å; C351-G354 PolarHBondContact O-N 2.92Å; L352-G354 PolarHBondContact O-N 3.31Å; G354-A356 VanDerWaalsContact C-N 3.35Å; G354-A356 PolarHBondContact O-N 2.67Å; G354-A357 PolarHBondContact O-N 2.98Å; G354-S358 WeakPolarHBondContact O-CB 3.41Å; G354-S358 PolarHBondContact O-N 2.75Å
355R89.6Confident88.9Confident86 Ų8643.7 Ų43.733%0.32523%0.226SC..Hα-helixtrans-62.3-42179-172.1-166.6-172.8162-0.3111.7N350 C353 S358 K359 W401N350-R355 WeakPolarHBondContact O-CB 3.21Å; N350-R355 PolarHBondContact O-N 3.1Å; N350-R355 VanDerWaalsContact O-N 3.11Å; N350-R355 WeakPolarHBondContact OD1-CD 3.42Å; C353-R355 VanDerWaalsContact C-N 3.31Å; C353-R355 PolarHBondContact O-N 2.97Å; C353-R355 VanDerWaalsContact SG-CB 3.56Å; R355-S358 PolarHBondContact O-N 3.37Å; R355-K359 WeakPolarHBondContact O-CB 3.39Å; R355-K359 PolarHBondContact O-N 2.8Å; R355-W401 HydrophobicContact CB-CD2 4.04Å; R355-W401 HydrophobicContact CB-CE3 3.87Å; R355-W401 HydrophobicContact CB-CZ3 4.28Å; R355-W401 VanDerWaalsContact CD-CZ3 3.41Å; R355-W401 HydrophobicContact CG-CD2 4.1Å; R355-W401 HydrophobicContact CG-CE3 3.98Å; R355-W401 HydrophobicContact CG-CH2 4.03Å; R355-W401 HydrophobicContact CG-CZ2 4.08Å; R355-W401 HydrophobicContact CG-CZ3 3.97Å; R355-W401 VanDerWaalsContact NE-CH2 3.3Å
356A85.3Confident88.2Confident3 Ų344.5 Ų44.53%0.02523%0.234CC..Hα-helixtrans-66.3-45-179.400000111.5N350 C351 G354 S358 K359 Y360 V364N350-A356 PolarHBondContact O-N 2.99Å; C351-A356 HydrophobicContact CB-CB 4.48Å; G354-A356 VanDerWaalsContact C-N 3.35Å; G354-A356 PolarHBondContact O-N 2.67Å; A356-S358 VanDerWaalsContact C-N 3.35Å; A356-S358 PolarHBondContact O-N 3.27Å; A356-K359 PolarHBondContact O-N 3.11Å; A356-Y360 PolarHBondContact O-N 3.03Å; A356-V364 HydrophobicContact CB-CB 4.31Å; A356-V364 HydrophobicContact CB-CG1 3.99Å; A356-V364 HydrophobicContact CB-CG2 4.11Å
357A85.4Confident88Confident22 Ų2244.3 Ų44.318%0.18224%0.239CC..Hα-helixtrans-61.1-41.117300000112.4G354 K359 P361 V364G354-A357 PolarHBondContact O-N 2.98Å; A357-K359 VanDerWaalsContact C-N 3.34Å; A357-K359 PolarHBondContact O-N 3.24Å; A357-P361 VanDerWaalsContact O-CA 3.23Å; A357-P361 WeakPolarHBondContact O-CA 3.47Å; A357-P361 WeakPolarHBondContact O-CB 3.3Å; A357-P361 WeakPolarHBondContact O-CD 3.42Å; A357-V364 WeakPolarHBondContact CA-O 3.41Å; A357-V364 HydrophobicContact CB-CG1 4.2Å
358S87.8Confident87.9Confident98 Ų9846.1 Ų46.169%0.68525%0.253SS*.Hα-helixtrans-65-36.3176.9177.60000113.1G354 R355 A356G354-S358 WeakPolarHBondContact O-CB 3.41Å; G354-S358 PolarHBondContact O-N 2.75Å; R355-S358 PolarHBondContact O-N 3.37Å; A356-S358 VanDerWaalsContact C-N 3.35Å; A356-S358 PolarHBondContact O-N 3.27Å
359K86.1Confident87.9Confident94 Ų9446.1 Ų46.141%0.40925%0.253SS..Hα-helixtrans-88.6-31.2-176-170172.7177.1-176.80112.9D39 R355 A356 A357D39-K359 IonicContact OD1-NZ 2.66Å; D39-K359 PolarHBondContact OD1-NZ 3.26Å; D39-K359 IonicContact OD2-NZ 2.92Å; D39-K359 PolarHBondContact OD2-NZ 3.12Å; R355-K359 WeakPolarHBondContact O-CB 3.39Å; R355-K359 PolarHBondContact O-N 2.8Å; A356-K359 PolarHBondContact O-N 3.11Å; A357-K359 VanDerWaalsContact C-N 3.34Å; A357-K359 PolarHBondContact O-N 3.24Å
360Y85Confident87.9Confident26 Ų2644.1 Ų44.110%0.10225%0.254CS..  trans-134.361.1-176.2-49.8-79.7000111.6D39 L42 A43 A46 A356 E362 T363 V364D39-Y360 PolarHBondContact O-OH 3.39Å; L42-Y360 HydrophobicContact CB-CD2 3.88Å; L42-Y360 HydrophobicContact CB-CE1 4.44Å; L42-Y360 HydrophobicContact CB-CE2 3.44Å; L42-Y360 VanDerWaalsContact CB-CE2 3.44Å; L42-Y360 HydrophobicContact CD1-CD2 4.35Å; L42-Y360 HydrophobicContact CD1-CE2 3.9Å; L42-Y360 HydrophobicContact CG-CE2 4.29Å; A43-Y360 HydrophobicContact CB-CE1 3.89Å; A46-Y360 HydrophobicContact CB-CD1 3.85Å; A356-Y360 PolarHBondContact O-N 3.03Å; Y360-E362 PolarHBondContact O-N 3Å; Y360-E362 VanDerWaalsContact O-N 3.08Å; Y360-T363 VanDerWaalsContact CB-OG1 3.31Å; Y360-T363 WeakPolarHBondContact CB-OG1 3.43Å; Y360-T363 PolarHBondContact O-N 3.07Å; Y360-T363 PolarHBondContact O-OG1 3.37Å; Y360-T363 VanDerWaalsContact O-OG1 3.08Å; Y360-V364 PolarHBondContact O-N 3.2Å
361P85.4Confident87.9Confident84 Ų8445 Ų4555%0.54526%0.259SS..THydrogen-bonded Turntrans-63.3-19.9-172.725.6-35.9000113.9A357 T363A357-P361 VanDerWaalsContact O-CA 3.23Å; A357-P361 WeakPolarHBondContact O-CA 3.47Å; A357-P361 WeakPolarHBondContact O-CB 3.3Å; A357-P361 WeakPolarHBondContact O-CD 3.42Å; P361-T363 VanDerWaalsContact C-N 3.3Å
362E81Confident88Confident101 Ų10145 Ų4547%0.47226%0.259SS..THydrogen-bonded Turntrans-79-13.7178.9-62.1-68.7-163.800113.8R53 Y360R53-E362 IonicContact CZ-OE2 3.02Å; R53-E362 IonicContact NH1-OE1 3.49Å; R53-E362 IonicContact NH1-OE2 2.68Å; R53-E362 PolarHBondContact NH1-OE2 3.39Å; R53-E362 IonicContact NH2-OE2 3.51Å; R53-E362 PolarHBondContact NH2-OE2 3.37Å; Y360-E362 PolarHBondContact O-N 3Å; Y360-E362 VanDerWaalsContact O-N 3.08Å
363T77.1Confident88.1Confident29 Ų2944.9 Ų44.918%0.17826%0.258CS..THydrogen-bonded Turntrans-121.8-35-178.632.90000114.8M45 A46 A49 Y360 P361M45-T363 WeakPolarHBondContact O-CG2 3.27Å; A46-T363 VanDerWaalsContact CA-CG2 3.4Å; A46-T363 HydrophobicContact CB-CG2 4.23Å; A49-T363 HydrophobicContact CB-CG2 3.26Å; Y360-T363 VanDerWaalsContact CB-OG1 3.31Å; Y360-T363 WeakPolarHBondContact CB-OG1 3.43Å; Y360-T363 PolarHBondContact O-N 3.07Å; Y360-T363 PolarHBondContact O-OG1 3.37Å; Y360-T363 VanDerWaalsContact O-OG1 3.08Å; P361-T363 VanDerWaalsContact C-N 3.3Å
364V79.5Confident88.1Confident4 Ų445.8 Ų45.82%0.02427%0.267CS..  trans-109.6106.3-178.2-175.70000106.4A356 A357 Y360 G366 V375A356-V364 HydrophobicContact CB-CB 4.31Å; A356-V364 HydrophobicContact CB-CG1 3.99Å; A356-V364 HydrophobicContact CB-CG2 4.11Å; A357-V364 WeakPolarHBondContact CA-O 3.41Å; A357-V364 HydrophobicContact CB-CG1 4.2Å; Y360-V364 PolarHBondContact O-N 3.2Å; V364-G366 WeakPolarHBondContact CG1-O 3.4Å; V364-V375 HydrophobicContact CG1-CG2 4.35Å; V364-V375 HydrophobicContact CG2-CG2 3.94Å
365H76.5Confident88.3Confident149 Ų14945.3 Ų45.369%0.6926%0.26SS*.  trans-83-18.8-169.2-61.7-51.8000113.2
366G83.2Confident88.6Confident19 Ų1941.2 Ų41.220%0.19625%0.245CC..  trans-156.1-161.7-178.800000113.8V364 D371V364-G366 WeakPolarHBondContact CG1-O 3.4Å; G366-D371 WeakPolarHBondContact CA-OD2 3.31Å; G366-D371 PolarHBondContact N-OD1 3.36Å
367S91Very high89.1Confident50 Ų5041.3 Ų41.335%0.3525%0.245SC..SBendtrans-134.329.4-179.768.70000110.7C351 D371C351-S367 WeakPolarHBondContact O-CA 3.3Å; C351-S367 VanDerWaalsContact O-CB 3.27Å; C351-S367 WeakPolarHBondContact O-CB 3.39Å; S367-D371 PolarHBondContact N-OD2 2.82Å
368S93.2Very high89.5Confident41 Ų4144.7 Ų44.729%0.28726%0.257SS..SBendtrans-86165178.270.10000111.5S370 D371 A372S368-S370 PolarHBondContact O-N 3.03Å; S368-S370 PolarHBondContact OG-N 3.12Å; S368-D371 WeakPolarHBondContact CB-OD2 3.48Å; S368-D371 PolarHBondContact N-OD2 2.85Å; S368-D371 PolarHBondContact O-N 3.42Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.32Å; S368-A372 PolarHBondContact O-N 2.95Å
369A96.8Very high89.8Confident0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-60.5-34.1170.600000112.5S111 L352 A372 A373 V393 E395S111-A369 WeakPolarHBondContact OG-CB 3.44Å; L352-A369 HydrophobicContact CD2-CB 4.44Å; A369-A372 PolarHBondContact O-N 3.5Å; A369-A373 PolarHBondContact O-N 3.38Å; A369-V393 HydrophobicContact CB-CB 4.27Å; A369-V393 HydrophobicContact CB-CG1 4.09Å; A369-E395 HydrophobicContact CB-CB 4.36Å
370S95.2Very high90.2Very high61 Ų6135.6 Ų35.643%0.42721%0.205SC..Hα-helixtrans-64.4-41.9173.5-55.40000112.5G113 S368 A372 A373 A374G113-S370 WeakPolarHBondContact CA-OG 3.38Å; S368-S370 PolarHBondContact O-N 3.03Å; S368-S370 PolarHBondContact OG-N 3.12Å; S370-A372 VanDerWaalsContact C-N 3.3Å; S370-A372 PolarHBondContact O-N 3.06Å; S370-A373 PolarHBondContact O-N 2.92Å; S370-A374 WeakPolarHBondContact O-CB 3.2Å; S370-A374 PolarHBondContact O-N 3.16Å
371D93.1Very high90.7Very high37 Ų3736.9 Ų36.920%0.19821%0.213CC..Hα-helixtrans-61.9-41.8173.6-62.2-64.2000110.6C351 G366 S367 S368 A374 V375C351-D371 VanDerWaalsContact SG-C 3.55Å; C351-D371 VanDerWaalsContact SG-CB 3.55Å; G366-D371 WeakPolarHBondContact CA-OD2 3.31Å; G366-D371 PolarHBondContact N-OD1 3.36Å; S367-D371 PolarHBondContact N-OD2 2.82Å; S368-D371 WeakPolarHBondContact CB-OD2 3.48Å; S368-D371 PolarHBondContact N-OD2 2.85Å; S368-D371 PolarHBondContact O-N 3.42Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.32Å; D371-A374 PolarHBondContact O-N 3.42Å; D371-V375 WeakPolarHBondContact O-CB 3.39Å; D371-V375 VanDerWaalsContact O-CG2 3.22Å; D371-V375 WeakPolarHBondContact O-CG2 3.34Å; D371-V375 PolarHBondContact O-N 2.86Å
372A96.2Very high91.1Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-64.1-45.1179.400000111.9A348 C351 L352 S368 A369 S370 V375 L376 V393A348-A372 HydrophobicContact CB-CB 4.46Å; C351-A372 HydrophobicContact CB-CB 4.01Å; C351-A372 VanDerWaalsContact SG-CA 3.59Å; C351-A372 PolarHBondContact SG-N 3.19Å; C351-A372 VanDerWaalsContact SG-N 3.38Å; L352-A372 HydrophobicContact CD2-CB 4.27Å; L352-A372 HydrophobicContact CG-CB 4.09Å; S368-A372 PolarHBondContact O-N 2.95Å; A369-A372 PolarHBondContact O-N 3.5Å; S370-A372 VanDerWaalsContact C-N 3.3Å; S370-A372 PolarHBondContact O-N 3.06Å; A372-V375 PolarHBondContact O-N 3.32Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.45Å; A372-L376 PolarHBondContact O-N 2.89Å; A372-V393 HydrophobicContact CB-CG1 4.19Å; A372-V393 HydrophobicContact CB-CG2 4.28Å
373A97.2Very high91.7Very high0 Ų035.3 Ų35.30%021%0.205CC..Hα-helixtrans-60.7-45.8175.300000111.6V115 A369 S370 V375 L376 V377 V391 V393V115-A373 HydrophobicContact CB-CB 4.25Å; V115-A373 HydrophobicContact CG2-CB 3.78Å; A369-A373 PolarHBondContact O-N 3.38Å; S370-A373 PolarHBondContact O-N 2.92Å; A373-V375 PolarHBondContact O-N 2.82Å; A373-L376 PolarHBondContact O-N 3.49Å; A373-V377 WeakPolarHBondContact O-CG2 3.27Å; A373-V377 PolarHBondContact O-N 2.95Å; A373-V391 HydrophobicContact CB-CG1 4.34Å; A373-V393 HydrophobicContact CB-CB 4.45Å; A373-V393 HydrophobicContact CB-CG2 3.93Å
374A94.9Very high92.6Very high38 Ų3835.4 Ų35.431%0.31421%0.213SC..Hα-helixtrans-62-42.9177.400000112.2V115 S370 D371 L376 V377 E378V115-A374 HydrophobicContact CG2-CB 4.14Å; S370-A374 WeakPolarHBondContact O-CB 3.2Å; S370-A374 PolarHBondContact O-N 3.16Å; D371-A374 PolarHBondContact O-N 3.42Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 3.14Å; A374-V377 PolarHBondContact O-N 3.09Å; A374-E378 WeakPolarHBondContact O-CG 3.35Å; A374-E378 PolarHBondContact O-N 2.97Å
375V94.5Very high93.4Very high10 Ų1035.6 Ų35.66%0.06121%0.214CC..Hα-helixtrans-64.8-37.5177.3173.20000111.4L42 M45 V347 V364 D371 A372 A373 F379L42-V375 HydrophobicContact CD2-CG1 3.86Å; M45-V375 HydrophobicContact CE-CG1 4.49Å; V347-V375 HydrophobicContact CG1-CG1 3.57Å; V364-V375 HydrophobicContact CG1-CG2 4.35Å; V364-V375 HydrophobicContact CG2-CG2 3.94Å; D371-V375 WeakPolarHBondContact O-CB 3.39Å; D371-V375 VanDerWaalsContact O-CG2 3.22Å; D371-V375 WeakPolarHBondContact O-CG2 3.34Å; D371-V375 PolarHBondContact O-N 2.86Å; A372-V375 PolarHBondContact O-N 3.32Å; A373-V375 PolarHBondContact O-N 2.82Å; V375-F379 WeakPolarHBondContact O-CB 3.31Å; V375-F379 PolarHBondContact O-N 3.14Å
376L96.7Very high94.3Very high0 Ų032.9 Ų32.90%021%0.208CC..Hα-helixtrans-63-47.6175.2-73.6168.5000111.8I329 L335 M339 A344 V347 A348 A372 A373 A374 E378 F379 A380 V391 V393I329-L376 HydrophobicContact CD1-CD1 4.02Å; I329-L376 HydrophobicContact CG1-CD1 4.42Å; I329-L376 HydrophobicContact CG2-CD1 4.09Å; L335-L376 HydrophobicContact CD1-CB 4.28Å; M339-L376 HydrophobicContact CE-CD2 3.79Å; A344-L376 HydrophobicContact CB-CD2 4.06Å; V347-L376 HydrophobicContact CB-CD2 3.97Å; V347-L376 HydrophobicContact CG1-CD2 3.84Å; V347-L376 HydrophobicContact CG1-CG 4.35Å; A348-L376 HydrophobicContact CB-CD1 4.3Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.45Å; A372-L376 PolarHBondContact O-N 2.89Å; A373-L376 PolarHBondContact O-N 3.49Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 3.14Å; L376-E378 PolarHBondContact O-N 2.78Å; L376-F379 WeakPolarHBondContact O-CB 3.47Å; L376-F379 PolarHBondContact O-N 2.56Å; L376-A380 PolarHBondContact O-N 3.29Å; L376-V391 HydrophobicContact CB-CG1 4.2Å; L376-V391 HydrophobicContact CB-CG2 4.5Å; L376-V391 HydrophobicContact CD1-CG1 3.71Å; L376-V393 HydrophobicContact CD1-CG2 3.82Å
377V96.3Very high95Very high4 Ų433.9 Ų33.92%0.02421%0.209CC..Hα-helixtrans-58.7-49.5177.3168.50000111.4V115 V117 A373 A374 F379 A380 M381 I389 V391V115-V377 HydrophobicContact CB-CG2 4.02Å; V115-V377 HydrophobicContact CG1-CB 4.24Å; V115-V377 HydrophobicContact CG1-CG1 4.36Å; V115-V377 HydrophobicContact CG1-CG2 3.78Å; V117-V377 HydrophobicContact CG1-CG1 4.27Å; V117-V377 HydrophobicContact CG2-CG1 3.41Å; V117-V377 VanDerWaalsContact CG2-CG1 3.41Å; A373-V377 WeakPolarHBondContact O-CG2 3.27Å; A373-V377 PolarHBondContact O-N 2.95Å; A374-V377 PolarHBondContact O-N 3.09Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.72Å; V377-A380 WeakPolarHBondContact O-CB 3.47Å; V377-A380 PolarHBondContact O-N 2.73Å; V377-M381 HydrophobicContact CG1-SD 4.46Å; V377-M381 WeakPolarHBondContact O-CG 3.24Å; V377-M381 PolarHBondContact O-N 2.99Å; V377-I389 HydrophobicContact CB-CG2 4.46Å; V377-I389 HydrophobicContact CG1-CB 4.44Å; V377-I389 HydrophobicContact CG1-CG2 4.41Å; V377-I389 HydrophobicContact CG2-CG2 3.98Å; V377-V391 HydrophobicContact CG2-CB 4.12Å; V377-V391 HydrophobicContact CG2-CG2 3.64Å
378E93Very high95.4Very high93 Ų9331.6 Ų31.644%0.43519%0.193SC..Hα-helixtrans-63.4-35.8178.6-70.8-71.6161.100112.2M45 A374 L376 M381 A382M45-E378 HydrophobicContact CE-CB 3.31Å; M45-E378 HydrophobicContact CE-CG 4.15Å; M45-E378 HydrophobicContact SD-CB 4.32Å; A374-E378 WeakPolarHBondContact O-CG 3.35Å; A374-E378 PolarHBondContact O-N 2.97Å; L376-E378 PolarHBondContact O-N 2.78Å; E378-M381 PolarHBondContact O-N 3.12Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.21Å; E378-A382 PolarHBondContact O-N 2.89Å
379F93.6Very high95.6Very high1 Ų129.6 Ų29.60%0.00418%0.179CC..Hα-helixtrans-66.8-40175.6-162.5-76.8000111.5T38 V41 M339 V343 V347 V375 L376 V377 A382 R383T38-F379 HydrophobicContact CG2-CE2 4.23Å; V41-F379 HydrophobicContact CB-CD2 3.82Å; V41-F379 HydrophobicContact CB-CE2 3.31Å; V41-F379 HydrophobicContact CB-CZ 3.76Å; V41-F379 HydrophobicContact CG1-CD1 4.26Å; V41-F379 HydrophobicContact CG1-CD2 3.26Å; V41-F379 HydrophobicContact CG1-CE1 4.36Å; V41-F379 HydrophobicContact CG1-CE2 3.34Å; V41-F379 HydrophobicContact CG1-CG 3.76Å; V41-F379 HydrophobicContact CG1-CZ 3.91Å; V41-F379 HydrophobicContact CG2-CE1 4.41Å; V41-F379 HydrophobicContact CG2-CE2 3.9Å; V41-F379 HydrophobicContact CG2-CZ 3.77Å; M339-F379 HydrophobicContact CE-CB 4.37Å; M339-F379 HydrophobicContact CE-CD1 3.52Å; M339-F379 HydrophobicContact CE-CE1 3.9Å; M339-F379 HydrophobicContact CE-CG 4.08Å; M339-F379 HydrophobicContact CG-CD1 3.97Å; M339-F379 HydrophobicContact CG-CE1 4.29Å; M339-F379 HydrophobicContact SD-CB 4.05Å; M339-F379 HydrophobicContact SD-CD1 3.4Å; M339-F379 WeakPolarHBondContact SD-CD1 3.3Å; M339-F379 HydrophobicContact SD-CE1 4.16Å; M339-F379 HydrophobicContact SD-CG 4.09Å; V343-F379 HydrophobicContact CG1-CE1 3.72Å; V343-F379 HydrophobicContact CG1-CZ 3.85Å; V347-F379 HydrophobicContact CG2-CD2 3.97Å; V347-F379 HydrophobicContact CG2-CE2 3.82Å; V347-F379 HydrophobicContact CG2-CZ 4.22Å; V375-F379 WeakPolarHBondContact O-CB 3.31Å; V375-F379 PolarHBondContact O-N 3.14Å; L376-F379 WeakPolarHBondContact O-CB 3.47Å; L376-F379 PolarHBondContact O-N 2.56Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.72Å; F379-A382 PolarHBondContact O-N 2.88Å; F379-R383 VanDerWaalsContact CD1-CD 3.44Å; F379-R383 HydrophobicContact CD1-CG 4.12Å; F379-R383 HydrophobicContact CE1-CG 4.13Å; F379-R383 WeakPolarHBondContact O-CB 3.27Å; F379-R383 WeakPolarHBondContact O-CG 3.36Å; F379-R383 PolarHBondContact O-N 3.27Å
380A95.7Very high95.7Very high0 Ų029.6 Ų29.60%018%0.179CC..Hα-helixtrans-63.5-46.3174.300000111.6L335 V338 M339 L376 V377 A382 R383 G384 S385 I389L335-A380 HydrophobicContact CD1-CB 4.07Å; V338-A380 HydrophobicContact CG2-CB 3.72Å; M339-A380 HydrophobicContact SD-CB 4.26Å; L376-A380 PolarHBondContact O-N 3.29Å; V377-A380 WeakPolarHBondContact O-CB 3.47Å; V377-A380 PolarHBondContact O-N 2.73Å; A380-A382 VanDerWaalsContact C-N 3.33Å; A380-A382 PolarHBondContact O-N 3.44Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 PolarHBondContact O-N 2.9Å; A380-R383 VanDerWaalsContact O-N 3.12Å; A380-G384 PolarHBondContact O-N 2.9Å; A380-S385 WeakPolarHBondContact O-CB 3.35Å; A380-S385 PolarHBondContact O-N 2.97Å; A380-S385 VanDerWaalsContact O-N 3.11Å; A380-I389 HydrophobicContact CB-CD1 4Å; A380-I389 HydrophobicContact CB-CG2 4.34Å
381M94.9Very high95.9Very high54 Ų5426.7 Ų26.727%0.26616%0.159SC..Hα-helixtrans-60-41.4174.4-68.2-173.976.600112.4R120 V377 E378 R383 G384 I389R120-M381 PolarHBondContact NH2-O 3.29Å; R120-M381 VanDerWaalsContact NH2-O 3.12Å; V377-M381 HydrophobicContact CG1-SD 4.46Å; V377-M381 WeakPolarHBondContact O-CG 3.24Å; V377-M381 PolarHBondContact O-N 2.99Å; E378-M381 PolarHBondContact O-N 3.12Å; M381-R383 VanDerWaalsContact C-N 3.26Å; M381-R383 PolarHBondContact O-N 3.34Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.16Å; M381-I389 HydrophobicContact CG-CD1 3.59Å
382A93.2Very high96.2Very high65 Ų6525 Ų2554%0.53715%0.149SC..Hα-helixtrans-67.2-27.2177.600000112.8V41 E378 F379 A380 G384V41-A382 HydrophobicContact CG1-CB 4.26Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.21Å; E378-A382 PolarHBondContact O-N 2.89Å; F379-A382 PolarHBondContact O-N 2.88Å; A380-A382 VanDerWaalsContact C-N 3.33Å; A380-A382 PolarHBondContact O-N 3.44Å; A382-G384 VanDerWaalsContact C-N 3.27Å
383R94.3Very high96.3Very high86 Ų8625 Ų2533%0.32515%0.149SC..THydrogen-bonded Turntrans-85.83.1174.4-74-178.361.2106.9-4114.2V338 F379 A380 M381V338-R383 HydrophobicContact CB-CB 4Å; V338-R383 HydrophobicContact CG2-CB 4.35Å; V338-R383 PolarHBondContact O-NE 2.98Å; V338-R383 PolarHBondContact O-NH2 3.45Å; F379-R383 VanDerWaalsContact CD1-CD 3.44Å; F379-R383 HydrophobicContact CD1-CG 4.12Å; F379-R383 HydrophobicContact CE1-CG 4.13Å; F379-R383 WeakPolarHBondContact O-CB 3.27Å; F379-R383 WeakPolarHBondContact O-CG 3.36Å; F379-R383 PolarHBondContact O-N 3.27Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 PolarHBondContact O-N 2.9Å; A380-R383 VanDerWaalsContact O-N 3.12Å; M381-R383 VanDerWaalsContact C-N 3.26Å; M381-R383 PolarHBondContact O-N 3.34Å
384G95.1Very high96.4Very high32 Ų3225 Ų2533%0.3315%0.149SC..THydrogen-bonded Turntrans96.913.3170.200000114.6A380 M381 A382 T386A380-G384 PolarHBondContact O-N 2.9Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.16Å; A382-G384 VanDerWaalsContact C-N 3.27Å; G384-T386 PolarHBondContact O-N 3.39Å
385S96.8Very high96.5Very high8 Ų823.2 Ų23.26%0.05614%0.135CC..  trans-52.3130.4171178.60000109.9G334 A380G334-S385 VanDerWaalsContact O-CB 3.3Å; G334-S385 WeakPolarHBondContact O-CB 3.27Å; G334-S385 PolarHBondContact O-OG 3.26Å; A380-S385 WeakPolarHBondContact O-CB 3.35Å; A380-S385 PolarHBondContact O-N 2.97Å; A380-S385 VanDerWaalsContact O-N 3.11Å
386T96.2Very high96.6Very high92 Ų9223 Ų2356%0.56413%0.133SC*.  trans-106.60.417950.80000112.6G384G384-T386 PolarHBondContact O-N 3.39Å
387D97.8Very high96.5Very high40 Ų4027.8 Ų27.821%0.21415%0.154CC..SBendtrans-96.7179.3-172.7-136-33.2000113.6G119 R121G119-D387 WeakPolarHBondContact CA-O 3.25Å; R121-D387 VanDerWaalsContact CD-OD1 3.27Å; R121-D387 WeakPolarHBondContact CD-OD1 3.31Å; R121-D387 WeakPolarHBondContact CG-OD1 3.3Å; R121-D387 IonicContact NE-OD1 3.68Å; R121-D387 PolarHBondContact NE-OD1 3.11Å
388N98.6Very high96.3Very high1 Ų134.3 Ų34.31%0.00518%0.178CC..  trans-60.8150.2155.2-62.8163.3000108.9V117 I118 R121 E123 M124 E125 D126 G334V117-N388 WeakPolarHBondContact O-CA 3.1Å; I118-N388 WeakPolarHBondContact CA-ND2 3.07Å; I118-N388 PolarHBondContact O-ND2 2.77Å; R121-N388 WeakPolarHBondContact CB-ND2 3.34Å; R121-N388 WeakPolarHBondContact CG-ND2 3.27Å; E123-N388 PolarHBondContact O-ND2 2.94Å; E123-N388 PolarHBondContact O-OD1 3.27Å; M124-N388 WeakPolarHBondContact CA-OD1 3.44Å; M124-N388 HydrophobicContact SD-CB 4.06Å; E125-N388 PolarHBondContact N-OD1 3.24Å; D126-N388 HydrophobicContact CB-CB 3.8Å; D126-N388 VanDerWaalsContact CG-CB 3.49Å; D126-N388 PolarHBondContact N-OD1 3.13Å; G334-N388 WeakPolarHBondContact CA-O 3.44Å
389I98.6Very high96.2Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-138.4113-178-46.1175.7000108.4S116 V117 D126 L335 V377 A380 M381 V391S116-I389 WeakPolarHBondContact CA-O 3.34Å; V117-I389 HydrophobicContact CG2-CB 4.04Å; V117-I389 PolarHBondContact N-O 3.41Å; V117-I389 PolarHBondContact O-N 2.86Å; D126-I389 PolarHBondContact OD2-N 2.89Å; L335-I389 HydrophobicContact CB-CG2 4.34Å; V377-I389 HydrophobicContact CB-CG2 4.46Å; V377-I389 HydrophobicContact CG1-CB 4.44Å; V377-I389 HydrophobicContact CG1-CG2 4.41Å; V377-I389 HydrophobicContact CG2-CG2 3.98Å; A380-I389 HydrophobicContact CB-CD1 4Å; A380-I389 HydrophobicContact CB-CG2 4.34Å; M381-I389 HydrophobicContact CG-CD1 3.59Å; I389-V391 HydrophobicContact CG2-CG2 4.2Å
390S98.8Very high95.8Very high0 Ų039.9 Ų39.90%020%0.202CC..EExtended strand (participates in β ladder)trans-118.7130.7175.9-66.50000110.2V115 S116 D126 G331 S332V115-S390 CarbonylContact O-C 3.46Å; V115-S390 WeakPolarHBondContact O-CA 3.14Å; S116-S390 WeakPolarHBondContact CB-OG 3.38Å; S116-S390 PolarHBondContact OG-OG 2.92Å; D126-S390 VanDerWaalsContact CB-OG 3.27Å; D126-S390 WeakPolarHBondContact CB-OG 3.31Å; D126-S390 VanDerWaalsContact CG-OG 3.24Å; D126-S390 WeakPolarHBondContact OD2-CB 3.46Å; D126-S390 PolarHBondContact OD2-N 3.03Å; D126-S390 VanDerWaalsContact OD2-N 3.08Å; D126-S390 PolarHBondContact OD2-OG 3.44Å; G331-S390 CarbonylContact C-O 3.58Å; G331-S390 WeakPolarHBondContact CA-O 3.27Å; S332-S390 PolarHBondContact N-O 3.29Å; S332-S390 VanDerWaalsContact N-O 3.07Å; S332-S390 PolarHBondContact OG-N 3.25Å
391V98.8Very high94.9Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-139.8128-178-175.40000109.3A114 V115 I329 L330 L335 A373 L376 V377 I389 V393A114-V391 CarbonylContact C-O 3.49Å; A114-V391 WeakPolarHBondContact CA-O 3.46Å; V115-V391 PolarHBondContact N-O 2.9Å; V115-V391 PolarHBondContact O-N 2.88Å; I329-V391 HydrophobicContact CG2-CG1 4.05Å; L330-V391 CarbonylContact O-C 3.58Å; L330-V391 WeakPolarHBondContact O-CA 3.43Å; L335-V391 HydrophobicContact CB-CG2 4.26Å; L335-V391 HydrophobicContact CD1-CG2 4.37Å; L335-V391 HydrophobicContact CD2-CG1 4.32Å; L335-V391 HydrophobicContact CD2-CG2 3.86Å; L335-V391 HydrophobicContact CG-CG2 4.38Å; A373-V391 HydrophobicContact CB-CG1 4.34Å; L376-V391 HydrophobicContact CB-CG1 4.2Å; L376-V391 HydrophobicContact CB-CG2 4.5Å; L376-V391 HydrophobicContact CD1-CG1 3.71Å; V377-V391 HydrophobicContact CG2-CB 4.12Å; V377-V391 HydrophobicContact CG2-CG2 3.64Å; I389-V391 HydrophobicContact CG2-CG2 4.2Å; V391-V393 HydrophobicContact CG1-CG2 4.17Å
392V98.8Very high93.6Very high0 Ų052.2 Ų52.20%025%0.251CS..EExtended strand (participates in β ladder)trans-115.8124.1169.2-176.10000108.9G113 A114 V128 F156 V158 I329 L330 V394G113-V392 CarbonylContact O-C 3.51Å; G113-V392 WeakPolarHBondContact O-CA 3.49Å; A114-V392 HydrophobicContact CB-CG2 3.94Å; V128-V392 HydrophobicContact CB-CG2 4.35Å; V128-V392 HydrophobicContact CG1-CG2 4.25Å; F156-V392 HydrophobicContact CB-CG1 4.14Å; F156-V392 HydrophobicContact CD1-CG1 3.91Å; F156-V392 HydrophobicContact CG-CG1 4.36Å; V158-V392 HydrophobicContact CG2-CB 4.49Å; V158-V392 HydrophobicContact CG2-CG2 3.81Å; I329-V392 CarbonylContact C-O 3.42Å; I329-V392 WeakPolarHBondContact CA-O 3.45Å; L330-V392 HydrophobicContact CB-CB 4.28Å; L330-V392 HydrophobicContact CD1-CB 4.46Å; L330-V392 PolarHBondContact N-O 3.45Å; L330-V392 PolarHBondContact O-N 3.37Å; V392-V394 HydrophobicContact CG1-CG2 4.19Å
393V98.7Very high91.9Very high0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-109.3128.2173179.20000108.8H112 G113 I328 I329 L352 A369 A372 A373 L376 V391H112-V393 CarbonylContact C-O 3.59Å; H112-V393 WeakPolarHBondContact CA-O 3.14Å; G113-V393 PolarHBondContact N-O 3.42Å; G113-V393 PolarHBondContact O-N 2.87Å; I328-V393 CarbonylContact O-C 3.54Å; I328-V393 WeakPolarHBondContact O-CA 3.4Å; I329-V393 HydrophobicContact CG1-CG2 4.48Å; L352-V393 HydrophobicContact CD1-CG1 4.33Å; A369-V393 HydrophobicContact CB-CB 4.27Å; A369-V393 HydrophobicContact CB-CG1 4.09Å; A372-V393 HydrophobicContact CB-CG1 4.19Å; A372-V393 HydrophobicContact CB-CG2 4.28Å; A373-V393 HydrophobicContact CB-CB 4.45Å; A373-V393 HydrophobicContact CB-CG2 3.93Å; L376-V393 HydrophobicContact CD1-CG2 3.82Å; V391-V393 HydrophobicContact CG1-CG2 4.17Å
394V98.5Very high89.7Confident0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-116.7107.8177.5-174.50000108.5P109 F156 F327 I328 V392 L396P109-V394 HydrophobicContact CB-CG1 3.72Å; P109-V394 HydrophobicContact CG-CG1 3.79Å; F156-V394 HydrophobicContact CB-CG2 4.24Å; F156-V394 HydrophobicContact CD1-CG2 3.64Å; F156-V394 HydrophobicContact CD2-CG1 4.31Å; F156-V394 HydrophobicContact CD2-CG2 3.58Å; F156-V394 HydrophobicContact CE1-CG1 4.49Å; F156-V394 HydrophobicContact CE1-CG2 3.82Å; F156-V394 HydrophobicContact CE2-CB 4.39Å; F156-V394 HydrophobicContact CE2-CG1 3.69Å; F156-V394 HydrophobicContact CE2-CG2 3.74Å; F156-V394 HydrophobicContact CG-CG2 3.52Å; F156-V394 HydrophobicContact CZ-CB 4.49Å; F156-V394 HydrophobicContact CZ-CG1 3.8Å; F156-V394 HydrophobicContact CZ-CG2 3.86Å; F327-V394 CarbonylContact C-O 3.46Å; F327-V394 WeakPolarHBondContact CA-O 3.48Å; F327-V394 WeakPolarHBondContact CB-O 3.39Å; I328-V394 HydrophobicContact CB-CB 4.28Å; I328-V394 PolarHBondContact N-O 2.86Å; I328-V394 PolarHBondContact O-N 3.09Å; V392-V394 HydrophobicContact CG1-CG2 4.19Å; V394-L396 HydrophobicContact CG1-CD2 4.19Å; V394-L396 PolarHBondContact O-N 2.8Å
395E97.6Very high87.1Confident1 Ų160.2 Ų60.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-78.5111.1179.4-173.2-172.4-171.300109.6P109 V110 S111 L352 A369 R398P109-E395 CarbonylContact C-O 3.54Å; P109-E395 WeakPolarHBondContact CA-O 3.27Å; V110-E395 HydrophobicContact CB-CB 4.34Å; V110-E395 HydrophobicContact CB-CG 4.05Å; V110-E395 WeakPolarHBondContact CB-O 3.44Å; V110-E395 HydrophobicContact CG1-CG 4.37Å; V110-E395 WeakPolarHBondContact CG1-OE2 3.26Å; V110-E395 PolarHBondContact N-O 3.43Å; S111-E395 WeakPolarHBondContact O-CB 3.32Å; S111-E395 PolarHBondContact O-N 2.86Å; S111-E395 PolarHBondContact OG-OE2 3.03Å; L352-E395 HydrophobicContact CD2-CB 4.37Å; L352-E395 HydrophobicContact CD2-CG 4.21Å; A369-E395 HydrophobicContact CB-CB 4.36Å; E395-R398 WeakPolarHBondContact OE1-CD 3.46Å; E395-R398 IonicContact OE1-NH1 2.82Å; E395-R398 PolarHBondContact OE1-NH1 3.03Å; E395-R398 IonicContact OE2-CZ 3.37Å; E395-R398 IonicContact OE2-NH1 3.69Å; E395-R398 PolarHBondContact OE2-NH1 2.96Å
396L97.1Very high84.6Confident6 Ų669 Ų693%0.03133%0.334CS..  trans-86.5-23.7-180-60.4177.2000112.2P109 V235 I240 L252 D325 E326 I328 V394P109-L396 HydrophobicContact CB-CD2 4.5Å; P109-L396 HydrophobicContact CG-CD2 4.06Å; V235-L396 HydrophobicContact CG1-CD2 3.82Å; I240-L396 HydrophobicContact CD1-CD1 3.9Å; L252-L396 HydrophobicContact CD1-CD1 3.86Å; D325-L396 HydrophobicContact CB-CD1 3.77Å; E326-L396 PolarHBondContact O-N 3.07Å; I328-L396 HydrophobicContact CD1-CD1 4.16Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG1-CD1 3.91Å; I328-L396 HydrophobicContact CG1-CG 4.38Å; V394-L396 HydrophobicContact CG1-CD2 4.19Å; V394-L396 PolarHBondContact O-N 2.8Å
397K93.5Very high81.8Confident100 Ų10071.6 Ų71.644%0.43535%0.345SS..SBendtrans-151136.9-177.1-179.9-178-177.9176.80111.3H323 E326 L399H323-K397 PolarHBondContact O-NZ 3.15Å; E326-K397 PolarHBondContact O-N 3.09Å; E326-K397 VanDerWaalsContact O-N 3.13Å; K397-L399 PolarHBondContact O-N 3.49Å; K397-L399 VanDerWaalsContact O-N 3.14Å
398R93.4Very high78.9Confident141 Ų14173.3 Ų73.353%0.53237%0.372SS..  trans-60.7115.3170.9-75.4-69.5-177.8-147.2-0.4110.5V110 E395V110-R398 HydrophobicContact CG1-CG 3.7Å; V110-R398 HydrophobicContact CG2-CG 4.34Å; E395-R398 WeakPolarHBondContact OE1-CD 3.46Å; E395-R398 IonicContact OE1-NH1 2.82Å; E395-R398 PolarHBondContact OE1-NH1 3.03Å; E395-R398 IonicContact OE2-CZ 3.37Å; E395-R398 IonicContact OE2-NH1 3.69Å; E395-R398 PolarHBondContact OE2-NH1 2.96Å
399L91Very high76.1Confident26 Ų2684.6 Ų84.614%0.13641%0.414CS..  trans-86.1143.5172.3-61.3-178.9000110.6E326 F327 R349 L352 C353 K397E326-L399 HydrophobicContact CB-CD1 4.35Å; E326-L399 HydrophobicContact CB-CD2 4.06Å; E326-L399 HydrophobicContact CG-CD2 3.86Å; F327-L399 HydrophobicContact CD1-CD1 4.31Å; F327-L399 HydrophobicContact CE1-CD1 4.3Å; R349-L399 HydrophobicContact CG-CD1 3.75Å; L352-L399 HydrophobicContact CB-CD1 4.13Å; C353-L399 HydrophobicContact CB-CB 3.91Å; K397-L399 PolarHBondContact O-N 3.49Å; K397-L399 VanDerWaalsContact O-N 3.14Å
400K83.7Confident73.5Confident185 Ų18594.5 Ų94.580%0.80448%0.475SS*.  trans-122.5125.4173.9-67.7-176.4-179.6178.10109.5K402K400-K402 PolarHBondContact O-N 2.91Å; K400-K402 VanDerWaalsContact O-N 3.14Å
401W77.7Confident72.2Confident117 Ų11799.2 Ų99.244%0.44350%0.499SS..  trans-66.2110169.2179.5-113.3000109.9C353 R355 G403C353-W401 HydrophobicContact CB-CB 4.38Å; C353-W401 VanDerWaalsContact O-CB 3.25Å; C353-W401 WeakPolarHBondContact O-CB 3.37Å; C353-W401 PolarHBondContact O-N 3.02Å; R355-W401 HydrophobicContact CB-CD2 4.04Å; R355-W401 HydrophobicContact CB-CE3 3.87Å; R355-W401 HydrophobicContact CB-CZ3 4.28Å; R355-W401 VanDerWaalsContact CD-CZ3 3.41Å; R355-W401 HydrophobicContact CG-CD2 4.1Å; R355-W401 HydrophobicContact CG-CE3 3.98Å; R355-W401 HydrophobicContact CG-CH2 4.03Å; R355-W401 HydrophobicContact CG-CZ2 4.08Å; R355-W401 HydrophobicContact CG-CZ3 3.97Å; R355-W401 VanDerWaalsContact NE-CH2 3.3Å; W401-G403 VanDerWaalsContact NE1-CA 3.3Å; W401-G403 PolarHBondContact O-N 3.06Å
402K67.3Low70.8Confident196 Ų196104.4 Ų104.485%0.85253%0.525SS*.  trans-78.580.6166.4-68.2-173.4-179.4-179.10107.5K400 G404K400-K402 PolarHBondContact O-N 2.91Å; K400-K402 VanDerWaalsContact O-N 3.14Å; K402-G404 PolarHBondContact O-N 3.04Å
403G57.7Low69.3Low46 Ų46110.2 Ų110.247%0.47455%0.554SS.*  trans-52.8126176.800000110.7W401 R405W401-G403 VanDerWaalsContact NE1-CA 3.3Å; W401-G403 PolarHBondContact O-N 3.06Å; G403-R405 PolarHBondContact O-N 2.97Å; G403-R405 VanDerWaalsContact O-N 3.07Å
404G48.9Very low67.6Low72 Ų72116.7 Ų116.774%0.74259%0.587SS**  trans-57.4115.7171.200000108.4K402 Q406K402-G404 PolarHBondContact O-N 3.04Å; G404-Q406 VanDerWaalsContact C-N 3.26Å; G404-Q406 PolarHBondContact O-N 2.94Å
405R39.4Very low65.6Low233 Ų233124 Ų12488%0.87962%0.624SS**  trans-54.299.6158-101.5176.9165.1173-5.2105.8G403 N407G403-R405 PolarHBondContact O-N 2.97Å; G403-R405 VanDerWaalsContact O-N 3.07Å; R405-N407 VanDerWaalsContact C-N 3.34Å; R405-N407 PolarHBondContact O-N 3.46Å
406Q45.2Very low63.5Low193 Ų193132.2 Ų132.290%0.90267%0.665SS**  trans-59.4110.3152.7-93.7179.8-4.500104.7G404 G408G404-Q406 VanDerWaalsContact C-N 3.26Å; G404-Q406 PolarHBondContact O-N 2.94Å; Q406-G408 VanDerWaalsContact C-N 3.26Å; Q406-G408 PolarHBondContact O-N 3.43Å
407N37.7Very low61.1Low147 Ų147141.2 Ų141.279%0.78671%0.71SS**  trans-56.898.5165-82-17.7000106.7R405 R409R405-N407 VanDerWaalsContact C-N 3.34Å; R405-N407 PolarHBondContact O-N 3.46Å; N407-R409 PolarHBondContact O-N 3.48Å
408G35.5Very low58.6Low76 Ų76144.4 Ų144.478%0.78473%0.731SS**  trans-6194.1156.600000106.9Q406 T410Q406-G408 VanDerWaalsContact C-N 3.26Å; Q406-G408 PolarHBondContact O-N 3.43Å; G408-T410 PolarHBondContact O-N 3.22Å
409R40.9Very low55.7Low237 Ų237144.7 Ų144.789%0.89475%0.748SS**  trans-70.2118153.1-100.9179.1173.6165.7-2.7105.6N407N407-R409 PolarHBondContact O-N 3.48Å
410T43.5Very low52.5Low208 Ų208155.5 Ų155.5100%1.27680%0.803SS**  trans-28.50161.547.80000114.7G408G408-T410 PolarHBondContact O-N 3.22Å

Retrieved 410 of 410 residues in 564.6 ms (Link to these results)