A0A087XIA9_POEFO Loading...

DND microRNA-mediated repression inhibitor 1

AlphaFold DB , UniProt , Accession A0A087XIA9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 380 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
1M32.4Very low47.7Very low238 Ų238132.7 Ų132.7100%1.17269%0.69SS**  0113.70-64.2176.4-17000106.4N3M1-N3 PolarHBondContact O-N 2.9Å
2E33.9Very low50.9Low200 Ų200134.1 Ų134.194%0.93569%0.69SS**  trans-79.2117.5-169.4-69.3159.8114.600111.1K4E2-K4 PolarHBondContact O-N 3.37Å
3N31.9Very low53.7Low163 Ų163129.1 Ų129.187%0.87266%0.657SS**  trans-77.9120.7177.3-89.4-22000110.7M1 C5M1-N3 PolarHBondContact O-N 2.9Å; N3-C5 PolarHBondContact O-N 3.28Å
4K35.6Very low56.1Low208 Ų208122.4 Ų122.490%0.90463%0.626SS**  trans-75.388.4-173-163.2174.3-173175.60110.6E2 S6E2-K4 PolarHBondContact O-N 3.37Å; K4-S6 PolarHBondContact O-N 2.97Å
5C33.5Very low58.1Low109 Ų109121.8 Ų121.874%0.73662%0.619SS**  trans-57.2126.6177.5-174.60000111N3 Q7N3-C5 PolarHBondContact O-N 3.28Å; C5-Q7 PolarHBondContact O-N 2.69Å
6S38.3Very low60.1Low109 Ų109116.9 Ų116.976%0.76260%0.604SS**  trans-69.194.4170.9-66.80000108.7K4 V8K4-S6 PolarHBondContact O-N 2.97Å; S6-V8 PolarHBondContact O-N 2.8Å
7Q45Very low61.9Low115 Ų115110.5 Ų110.554%0.53757%0.57SS.*  trans-58.2105.7-165-159.4175.216.100112C5 Q91C5-Q7 PolarHBondContact O-N 2.69Å; Q7-Q91 VanDerWaalsContact CD-NE2 3.34Å
8V51.4Low63.3Low74 Ų74110.3 Ų110.345%0.44857%0.566SS.*  trans-56142.7163.7-173.70000107.7S6 N10S6-V8 PolarHBondContact O-N 2.8Å; V8-N10 PolarHBondContact O-N 2.82Å
9Q61.3Low64.8Low88 Ų88107.1 Ų107.141%0.41156%0.558SS.*  trans-54.5133.6172.1-70174-5.900108.9I11 S89Q9-I11 PolarHBondContact O-N 3Å; Q9-S89 PolarHBondContact NE2-O 3.12Å
10N79.3Confident66.2Low49 Ų49104.1 Ų104.126%0.26254%0.539SS..  trans-66.4103176.6-173.3-18.6000108.6V8 E12 R13 V14 D63V8-N10 PolarHBondContact O-N 2.82Å; N10-E12 VanDerWaalsContact C-N 3.3Å; N10-E12 PolarHBondContact O-N 2.96Å; N10-E12 PolarHBondContact OD1-N 2.84Å; N10-R13 HydrophobicContact CB-CB 4.11Å; N10-R13 HydrophobicContact CB-CG 3.85Å; N10-R13 VanDerWaalsContact CG-CG 3.46Å; N10-R13 WeakPolarHBondContact ND2-CG 3.34Å; N10-R13 WeakPolarHBondContact O-CB 3.25Å; N10-R13 PolarHBondContact O-N 2.85Å; N10-R13 VanDerWaalsContact O-N 3.15Å; N10-V14 PolarHBondContact O-N 3.39Å; N10-V14 VanDerWaalsContact O-N 3.16Å; N10-D63 HydrophobicContact CB-CB 3.87Å; N10-D63 PolarHBondContact ND2-OD2 3.4Å
11I82.4Confident67.4Low107 Ų107101.1 Ų101.155%0.54952%0.524SS..Hα-helixtrans-62.2-40.3-170.5-62.7175.9000110.5Q9 R13 V14 Q15Q9-I11 PolarHBondContact O-N 3Å; I11-R13 VanDerWaalsContact C-N 3.28Å; I11-R13 PolarHBondContact O-N 2.85Å; I11-V14 PolarHBondContact O-N 2.89Å; I11-V14 VanDerWaalsContact O-N 3.14Å; I11-Q15 HydrophobicContact CG2-CG 4.29Å; I11-Q15 WeakPolarHBondContact O-CG 3.21Å; I11-Q15 PolarHBondContact O-N 3.07Å
12E86.3Confident70.1Confident149 Ų14997.6 Ų97.670%0.69650%0.504SS*.Hα-helixtrans-59.7-39.4177.8-60.4177.6173.900111.4N10 Q15 A16N10-E12 VanDerWaalsContact C-N 3.3Å; N10-E12 PolarHBondContact O-N 2.96Å; N10-E12 PolarHBondContact OD1-N 2.84Å; E12-Q15 PolarHBondContact O-N 2.92Å; E12-A16 VanDerWaalsContact O-CB 3.28Å; E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.35Å
13R87.5Confident72.9Confident69 Ų6993.9 Ų93.926%0.2650%0.495SS..Hα-helixtrans-69.3-35.7176.4-63.4-68.6-173.9176.65.9113N10 I11 L17 D63 Y65 E119N10-R13 HydrophobicContact CB-CB 4.11Å; N10-R13 HydrophobicContact CB-CG 3.85Å; N10-R13 VanDerWaalsContact CG-CG 3.46Å; N10-R13 WeakPolarHBondContact ND2-CG 3.34Å; N10-R13 WeakPolarHBondContact O-CB 3.25Å; N10-R13 PolarHBondContact O-N 2.85Å; N10-R13 VanDerWaalsContact O-N 3.15Å; I11-R13 VanDerWaalsContact C-N 3.28Å; I11-R13 PolarHBondContact O-N 2.85Å; R13-L17 WeakPolarHBondContact O-CB 3.49Å; R13-L17 PolarHBondContact O-N 3.06Å; R13-L17 VanDerWaalsContact O-N 3.07Å; R13-D63 WeakPolarHBondContact CB-O 3.34Å; R13-D63 HydrophobicContact CG-CB 4.29Å; R13-D63 WeakPolarHBondContact CG-O 3.35Å; R13-Y65 HydrophobicContact CB-CD2 4.05Å; R13-Y65 HydrophobicContact CB-CE2 3.71Å; R13-E119 IonicContact CZ-OE1 3.81Å; R13-E119 VanDerWaalsContact CZ-OE1 3.27Å; R13-E119 IonicContact NH1-OE1 2.75Å; R13-E119 IonicContact NH2-OE1 2.67Å; R13-E119 PolarHBondContact NH2-OE1 2.88Å
14V86.6Confident75.5Confident36 Ų3689.1 Ų89.122%0.21847%0.472CS..Hα-helixtrans-69.1-43.6175.9178.40000110N10 I11 L17 E18 Y65N10-V14 PolarHBondContact O-N 3.39Å; N10-V14 VanDerWaalsContact O-N 3.16Å; I11-V14 PolarHBondContact O-N 2.89Å; I11-V14 VanDerWaalsContact O-N 3.14Å; V14-L17 PolarHBondContact O-N 2.95Å; V14-E18 WeakPolarHBondContact O-CG 3.26Å; V14-E18 PolarHBondContact O-N 2.77Å; V14-Y65 HydrophobicContact CG2-CE2 4.11Å
15Q86.4Confident77.9Confident113 Ų11386.3 Ų86.353%0.52847%0.467SS..Hα-helixtrans-64.5-41.6175.8-71.7175.5-22.300112.6I11 E12 L17 E18 A19I11-Q15 HydrophobicContact CG2-CG 4.29Å; I11-Q15 WeakPolarHBondContact O-CG 3.21Å; I11-Q15 PolarHBondContact O-N 3.07Å; E12-Q15 PolarHBondContact O-N 2.92Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.13Å; Q15-E18 PolarHBondContact O-N 2.81Å; Q15-A19 WeakPolarHBondContact O-CB 3.46Å; Q15-A19 PolarHBondContact O-N 3.35Å
16A89.8Confident80.3Confident44 Ų4482.2 Ų82.236%0.36444%0.439SS..Hα-helixtrans-61.1-41.9174.700000111.8E12 W20E12-A16 VanDerWaalsContact O-CB 3.28Å; E12-A16 WeakPolarHBondContact O-CB 3.47Å; E12-A16 PolarHBondContact O-N 3.35Å; A16-W20 VanDerWaalsContact O-CB 3.31Å; A16-W20 WeakPolarHBondContact O-CB 3.27Å; A16-W20 PolarHBondContact O-N 3.31Å
17L90.8Very high82.6Confident7 Ų786.3 Ų86.34%0.03744%0.437CS..Hα-helixtrans-63.2-47.4173.5178.468000111.9R13 V14 Q15 W20 L21 Y65 E66 D67R13-L17 WeakPolarHBondContact O-CB 3.49Å; R13-L17 PolarHBondContact O-N 3.06Å; R13-L17 VanDerWaalsContact O-N 3.07Å; V14-L17 PolarHBondContact O-N 2.95Å; Q15-L17 VanDerWaalsContact C-N 3.33Å; Q15-L17 PolarHBondContact O-N 3.13Å; L17-W20 HydrophobicContact CD1-CE3 4.36Å; L17-W20 PolarHBondContact O-N 3.15Å; L17-L21 HydrophobicContact CD1-CD1 4.41Å; L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.12Å; L17-L21 HydrophobicContact CG-CG 4.47Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.49Å; L17-Y65 HydrophobicContact CB-CD2 4.37Å; L17-Y65 HydrophobicContact CD2-CD2 4.19Å; L17-Y65 HydrophobicContact CD2-CG 4.09Å; L17-E66 HydrophobicContact CD1-CB 4.07Å; L17-D67 HydrophobicContact CD1-CB 4.02Å
18E87.9Confident84.7Confident107 Ų10782.5 Ų82.550%0.542%0.421SS..Hα-helixtrans-59-48.7178.4-73.9173170.700111.4V14 Q15 W20 L21 E22V14-E18 WeakPolarHBondContact O-CG 3.26Å; V14-E18 PolarHBondContact O-N 2.77Å; Q15-E18 PolarHBondContact O-N 2.81Å; E18-W20 VanDerWaalsContact C-N 3.32Å; E18-W20 PolarHBondContact O-N 3.32Å; E18-L21 PolarHBondContact O-N 3.46Å; E18-E22 PolarHBondContact O-N 3.26Å
19A90.2Very high86.5Confident49 Ų4981.5 Ų81.541%0.40542%0.415SS..Hα-helixtrans-61.6-37.3176.100000112.9Q15 T23Q15-A19 WeakPolarHBondContact O-CB 3.46Å; Q15-A19 PolarHBondContact O-N 3.35Å; A19-T23 VanDerWaalsContact O-CB 3.26Å; A19-T23 WeakPolarHBondContact O-CB 3.49Å; A19-T23 PolarHBondContact O-N 3.38Å; A19-T23 PolarHBondContact O-OG1 2.86Å
20W93.4Very high87.7Confident48 Ų4882.1 Ų82.118%0.18242%0.418CS..Hα-helixtrans-66.2-41175-179.785000112.2A16 L17 E18 T23 T24 T26 E66 D67 I70 P71A16-W20 VanDerWaalsContact O-CB 3.31Å; A16-W20 WeakPolarHBondContact O-CB 3.27Å; A16-W20 PolarHBondContact O-N 3.31Å; L17-W20 HydrophobicContact CD1-CE3 4.36Å; L17-W20 PolarHBondContact O-N 3.15Å; E18-W20 VanDerWaalsContact C-N 3.32Å; E18-W20 PolarHBondContact O-N 3.32Å; W20-T23 PolarHBondContact O-N 3.25Å; W20-T24 HydrophobicContact CD2-CG2 4.33Å; W20-T24 HydrophobicContact CG-CG2 4.4Å; W20-T24 HydrophobicContact CZ2-CG2 4.31Å; W20-T24 WeakPolarHBondContact O-CB 3.4Å; W20-T24 WeakPolarHBondContact O-CG2 3.49Å; W20-T24 PolarHBondContact O-N 3.48Å; W20-T24 PolarHBondContact O-OG1 3.14Å; W20-T26 HydrophobicContact CH2-CG2 3.73Å; W20-T26 HydrophobicContact CZ3-CG2 3.57Å; W20-E66 HydrophobicContact CZ3-CB 4.43Å; W20-D67 HydrophobicContact CB-CB 3.82Å; W20-D67 HydrophobicContact CD2-CB 4.05Å; W20-D67 HydrophobicContact CE3-CB 4.37Å; W20-D67 HydrophobicContact CG-CB 3.79Å; W20-I70 HydrophobicContact CH2-CB 4.09Å; W20-I70 HydrophobicContact CH2-CD1 3.87Å; W20-I70 HydrophobicContact CH2-CG2 4.15Å; W20-I70 HydrophobicContact CZ2-CB 4.3Å; W20-I70 HydrophobicContact CZ2-CG2 4.31Å; W20-I70 HydrophobicContact CZ3-CD1 4.35Å; W20-P71 HydrophobicContact CZ2-CG 4.17Å
21L90.8Very high87.8Confident42 Ų4282.9 Ų82.922%0.2242%0.424CS..Hα-helixtrans-63-44.8176.8-67.6170.5000111.7L17 E18 N25 T26 L28L17-L21 HydrophobicContact CD1-CD1 4.41Å; L17-L21 HydrophobicContact CD1-CG 4.36Å; L17-L21 HydrophobicContact CG-CD1 4.12Å; L17-L21 HydrophobicContact CG-CG 4.47Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.38Å; L17-L21 PolarHBondContact O-N 3.49Å; E18-L21 PolarHBondContact O-N 3.46Å; L21-N25 CarbonylContact O-C 3.59Å; L21-N25 WeakPolarHBondContact O-CA 3.44Å; L21-N25 PolarHBondContact O-N 3.46Å; L21-T26 HydrophobicContact CD2-CG2 3.84Å; L21-T26 WeakPolarHBondContact CD2-O 3.26Å; L21-T26 PolarHBondContact O-N 3.4Å; L21-L28 HydrophobicContact CD1-CD1 4.26Å; L21-L28 HydrophobicContact CD2-CD1 3.66Å; L21-L28 HydrophobicContact CD2-CG 3.62Å
22E89.7Confident87.8Confident163 Ų16384.1 Ų84.176%0.76243%0.432SS*.Hα-helixtrans-63.5-49.3175.7-69.3-177.5167.600111.5E18 T24 N25E18-E22 PolarHBondContact O-N 3.26Å; E22-T24 PolarHBondContact O-N 3.45Å; E22-N25 PolarHBondContact O-N 2.66Å
23T91.9Very high87.8Confident122 Ų12277.5 Ų77.575%0.74840%0.404SS*.Hα-helixtrans-64.7-38.1-176.6-56.80000112.7A19 W20A19-T23 VanDerWaalsContact O-CB 3.26Å; A19-T23 WeakPolarHBondContact O-CB 3.49Å; A19-T23 PolarHBondContact O-N 3.38Å; A19-T23 PolarHBondContact O-OG1 2.86Å; W20-T23 PolarHBondContact O-N 3.25Å
24T87.1Confident87.8Confident63 Ų6376.6 Ų76.639%0.38740%0.403SS..Hα-helixtrans-92.3-4-178.561.10000113.6W20 E22 T26W20-T24 HydrophobicContact CD2-CG2 4.33Å; W20-T24 HydrophobicContact CG-CG2 4.4Å; W20-T24 HydrophobicContact CZ2-CG2 4.31Å; W20-T24 WeakPolarHBondContact O-CB 3.4Å; W20-T24 WeakPolarHBondContact O-CG2 3.49Å; W20-T24 PolarHBondContact O-N 3.48Å; W20-T24 PolarHBondContact O-OG1 3.14Å; E22-T24 PolarHBondContact O-N 3.45Å; T24-T26 WeakPolarHBondContact CB-OG1 3.49Å; T24-T26 PolarHBondContact O-N 2.87Å; T24-T26 VanDerWaalsContact OG1-CB 3.23Å; T24-T26 WeakPolarHBondContact OG1-CB 3.36Å; T24-T26 PolarHBondContact OG1-N 2.87Å; T24-T26 PolarHBondContact OG1-OG1 3.36Å
25N85.5Confident88.1Confident150 Ų15076.8 Ų76.880%0.80240%0.399SS*.THydrogen-bonded Turntrans5035.1-167.4-168.233.2000112.5L21 E22L21-N25 CarbonylContact O-C 3.59Å; L21-N25 WeakPolarHBondContact O-CA 3.44Å; L21-N25 PolarHBondContact O-N 3.46Å; E22-N25 PolarHBondContact O-N 2.66Å
26T84.6Confident88.4Confident22 Ų2274.1 Ų74.114%0.13539%0.386CS..  trans-80.3124.2-175.4-73.60000111W20 L21 T24 L28 Y37W20-T26 HydrophobicContact CH2-CG2 3.73Å; W20-T26 HydrophobicContact CZ3-CG2 3.57Å; L21-T26 HydrophobicContact CD2-CG2 3.84Å; L21-T26 WeakPolarHBondContact CD2-O 3.26Å; L21-T26 PolarHBondContact O-N 3.4Å; T24-T26 WeakPolarHBondContact CB-OG1 3.49Å; T24-T26 PolarHBondContact O-N 2.87Å; T24-T26 VanDerWaalsContact OG1-CB 3.23Å; T24-T26 WeakPolarHBondContact OG1-CB 3.36Å; T24-T26 PolarHBondContact OG1-N 2.87Å; T24-T26 PolarHBondContact OG1-OG1 3.36Å; T26-L28 HydrophobicContact CG2-CD2 4.02Å; T26-L28 HydrophobicContact CG2-CG 4.34Å; T26-Y37 HydrophobicContact CG2-CD2 3.44Å; T26-Y37 VanDerWaalsContact CG2-CD2 3.44Å; T26-Y37 HydrophobicContact CG2-CE2 3.55Å
27R86.2Confident88.4Confident195 Ų19575 Ų7574%0.73638%0.381SS*.  trans-92.1113.3173.9-172.9169.3176.5-90-4.3111.9
28L89.7Confident88.1Confident36 Ų3676.7 Ų76.719%0.18840%0.399CS..EExtended strand (participates in β ladder)trans-96.9138.1168.3-59.8-176.9000111.1L21 T26 R35 K36 Y37 E66 I70L21-L28 HydrophobicContact CD1-CD1 4.26Å; L21-L28 HydrophobicContact CD2-CD1 3.66Å; L21-L28 HydrophobicContact CD2-CG 3.62Å; T26-L28 HydrophobicContact CG2-CD2 4.02Å; T26-L28 HydrophobicContact CG2-CG 4.34Å; L28-R35 HydrophobicContact CB-CG 3.97Å; L28-R35 HydrophobicContact CD1-CG 3.96Å; L28-R35 HydrophobicContact CG-CG 4.46Å; L28-K36 CarbonylContact C-O 3.59Å; L28-K36 VanDerWaalsContact CA-O 3.3Å; L28-K36 WeakPolarHBondContact CA-O 3.49Å; L28-Y37 HydrophobicContact CD2-CD2 4.14Å; L28-Y37 HydrophobicContact CD2-CG 4.39Å; L28-E66 HydrophobicContact CD1-CB 4.08Å; L28-E66 HydrophobicContact CD1-CG 3.97Å; L28-E66 HydrophobicContact CD2-CG 4.18Å; L28-I70 HydrophobicContact CD2-CD1 4.33Å
29T89Confident87.2Confident53 Ų5373 Ų7333%0.32539%0.389SS..EExtended strand (participates in β ladder)trans-116.3122175.6-51.70000110V31 K36T29-V31 HydrophobicContact CG2-CG2 3.9Å; T29-K36 PolarHBondContact N-O 3.09Å; T29-K36 WeakPolarHBondContact O-CB 3.41Å; T29-K36 PolarHBondContact O-N 3.25Å
30Q86.4Confident85.9Confident100 Ų10074.5 Ų74.547%0.46740%0.395SS..EExtended strand (participates in β ladder)trans-95.8122177.8-164.3171.913.300111.3Q34Q30-Q34 CarbonylContact C-O 3.55Å; Q30-Q34 WeakPolarHBondContact CA-O 3.33Å
31V82.1Confident84.4Confident66 Ų6674.8 Ų74.840%0.440%0.404SS..EExtended strand (participates in β ladder)trans-139.3124.6-177.8-172.90000109.7T29 G33 Q34T29-V31 HydrophobicContact CG2-CG2 3.9Å; V31-G33 VanDerWaalsContact C-N 3.25Å; V31-G33 PolarHBondContact O-N 2.64Å; V31-G33 VanDerWaalsContact O-N 3.13Å; V31-Q34 PolarHBondContact N-O 3.32Å; V31-Q34 PolarHBondContact O-N 2.88Å
32N82.3Confident82.9Confident132 Ų13282.7 Ų82.771%0.70644%0.439SS*.THydrogen-bonded Turntrans50.738.4173.9-62.4-33.4000114.8Q34N32-Q34 VanDerWaalsContact C-N 3.33Å
33G85.1Confident81.4Confident11 Ų1178.2 Ų78.211%0.11344%0.437CS..THydrogen-bonded Turntrans75.317.1-177.400000114.7V31 M86V31-G33 VanDerWaalsContact C-N 3.25Å; V31-G33 PolarHBondContact O-N 2.64Å; V31-G33 VanDerWaalsContact O-N 3.13Å; G33-M86 PolarHBondContact O-N 3.02Å
34Q89.5Confident80.1Confident50 Ų5077.5 Ų77.523%0.23442%0.421CS..EExtended strand (participates in β ladder)trans-113135.1167.5-36-169.425.300108Q30 V31 N32 L84 M85Q30-Q34 CarbonylContact C-O 3.55Å; Q30-Q34 WeakPolarHBondContact CA-O 3.33Å; V31-Q34 PolarHBondContact N-O 3.32Å; V31-Q34 PolarHBondContact O-N 2.88Å; N32-Q34 VanDerWaalsContact C-N 3.33Å; Q34-L84 CarbonylContact C-O 3.54Å; Q34-L84 WeakPolarHBondContact CA-O 3.31Å; Q34-M85 HydrophobicContact CB-SD 4.01Å; Q34-M85 HydrophobicContact CG-CE 4.16Å; Q34-M85 HydrophobicContact CG-SD 3.52Å; Q34-M85 VanDerWaalsContact CG-SD 3.52Å; Q34-M85 VanDerWaalsContact OE1-CE 3.3Å
35R92.3Very high78.9Confident39 Ų3982.4 Ų82.415%0.14744%0.444CS..EExtended strand (participates in β ladder)trans-101.4120.3168-172.4162.361-170.1-0.5107.6L28 E66 R83 L84 M86L28-R35 HydrophobicContact CB-CG 3.97Å; L28-R35 HydrophobicContact CD1-CG 3.96Å; L28-R35 HydrophobicContact CG-CG 4.46Å; R35-E66 VanDerWaalsContact CB-OE1 3.31Å; R35-E66 WeakPolarHBondContact CB-OE1 3.34Å; R35-E66 WeakPolarHBondContact CG-OE1 3.33Å; R35-E66 IonicContact CZ-OE1 3.38Å; R35-E66 IonicContact CZ-OE2 3.32Å; R35-E66 IonicContact NE-OE1 2.91Å; R35-E66 PolarHBondContact NE-OE1 3.31Å; R35-E66 IonicContact NE-OE2 2.73Å; R35-E66 PolarHBondContact NE-OE2 2.86Å; R35-E66 IonicContact NH2-OE1 2.75Å; R35-E66 IonicContact NH2-OE2 3.1Å; R35-E66 PolarHBondContact NH2-OE2 3.22Å; R35-R83 WeakPolarHBondContact O-CA 3.48Å; R35-L84 PolarHBondContact N-O 2.93Å; R35-L84 PolarHBondContact O-N 2.75Å; R35-M86 HydrophobicContact CB-CG 3.89Å
36K91.5Very high78Confident57 Ų5776.8 Ų76.825%0.24842%0.422CS..EExtended strand (participates in β ladder)trans-108.1136.7-171.1-58.6-169.168.1-170.10110.8L28 T29 E81 F82 R83L28-K36 CarbonylContact C-O 3.59Å; L28-K36 VanDerWaalsContact CA-O 3.3Å; L28-K36 WeakPolarHBondContact CA-O 3.49Å; T29-K36 PolarHBondContact N-O 3.09Å; T29-K36 WeakPolarHBondContact O-CB 3.41Å; T29-K36 PolarHBondContact O-N 3.25Å; K36-E81 WeakPolarHBondContact CE-OE2 3.45Å; K36-E81 IonicContact NZ-OE2 3.15Å; K36-E81 PolarHBondContact NZ-OE2 3.12Å; K36-F82 CarbonylContact C-O 3.49Å; K36-F82 WeakPolarHBondContact CA-O 3.13Å; K36-R83 HydrophobicContact CG-CG 4.21Å
37Y90.7Very high77.2Confident64 Ų6481.1 Ų81.125%0.25145%0.451SS..EExtended strand (participates in β ladder)trans-114.4141.7165.6166.8-100000109.9T26 L28 I70 L79 E81 F82T26-Y37 HydrophobicContact CG2-CD2 3.44Å; T26-Y37 VanDerWaalsContact CG2-CD2 3.44Å; T26-Y37 HydrophobicContact CG2-CE2 3.55Å; L28-Y37 HydrophobicContact CD2-CD2 4.14Å; L28-Y37 HydrophobicContact CD2-CG 4.39Å; Y37-I70 VanDerWaalsContact CB-CD1 3.44Å; Y37-I70 HydrophobicContact CD1-CD1 3.84Å; Y37-I70 HydrophobicContact CD1-CG1 4.43Å; Y37-I70 HydrophobicContact CD1-CG2 4.13Å; Y37-I70 HydrophobicContact CD2-CD1 3.7Å; Y37-I70 HydrophobicContact CE1-CD1 4.48Å; Y37-I70 HydrophobicContact CE1-CG2 3.83Å; Y37-I70 HydrophobicContact CE2-CD1 4.35Å; Y37-I70 HydrophobicContact CE2-CG2 4.42Å; Y37-I70 HydrophobicContact CG-CD1 3.39Å; Y37-I70 HydrophobicContact CG-CG1 4.43Å; Y37-L79 HydrophobicContact CE1-CB 4.38Å; Y37-E81 WeakPolarHBondContact O-CA 2.95Å; Y37-F82 HydrophobicContact CD1-CB 4.13Å; Y37-F82 PolarHBondContact N-O 3.34Å; Y37-F82 PolarHBondContact O-N 2.92Å
38G84.1Confident76.6Confident42 Ų4276.3 Ų76.343%0.43344%0.443SS..EExtended strand (participates in β ladder)trans64.8-153.1179.900000113.7
39G68.3Low76.3Confident28 Ų2875 Ų7529%0.28944%0.437SS..SBendtrans79.1125.6-173.300000113.8W80G39-W80 WeakPolarHBondContact CA-O 3.47Å; G39-W80 PolarHBondContact N-O 3.41Å
40P64.1Low75.6Confident81 Ų8174.6 Ų74.653%0.52644%0.444SS..SBend-54152.9-68.931.7-35.9000112.5W44 W80P40-W44 HydrophobicContact CB-CB 4.14Å; P40-W44 HydrophobicContact CB-CG 4.23Å; P40-W80 HydrophobicContact CB-CZ2 4.03Å
41P62.3Low75.1Confident55 Ų5574.2 Ų74.236%0.35744%0.442SS..PPolyproline II helixtrans-54.7150.3177.9-24.532000113.7G43 W44P41-G43 PolarHBondContact O-N 2.86Å; P41-W44 HydrophobicContact CB-CB 4.12Å; P41-W44 HydrophobicContact CG-CB 4.3Å; P41-W44 HydrophobicContact CG-CE3 4.33Å; P41-W44 WeakPolarHBondContact O-CB 3.46Å; P41-W44 PolarHBondContact O-N 3.24Å
42E59.5Low75.3Confident207 Ų20775.4 Ų75.497%0.96744%0.443SS*.THydrogen-bonded Turntrans-58.4121.1175.5-64-172.6171.800110.1
43G56.8Low75.7Confident70 Ų7069.5 Ų69.572%0.72241%0.412SS*.THydrogen-bonded Turntrans83.26.7-173.800000116.2P41 N45P41-G43 PolarHBondContact O-N 2.86Å; G43-N45 PolarHBondContact O-N 3.28Å
44W65.2Low76Confident107 Ų10769.4 Ų69.441%0.40541%0.408SS..  trans-70.198.9177.3-178.9-91.1000112.4P40 P41 G46 P47 W80P40-W44 HydrophobicContact CB-CB 4.14Å; P40-W44 HydrophobicContact CB-CG 4.23Å; P41-W44 HydrophobicContact CB-CB 4.12Å; P41-W44 HydrophobicContact CG-CB 4.3Å; P41-W44 HydrophobicContact CG-CE3 4.33Å; P41-W44 WeakPolarHBondContact O-CB 3.46Å; P41-W44 PolarHBondContact O-N 3.24Å; W44-G46 VanDerWaalsContact NE1-C 3.31Å; W44-G46 PolarHBondContact NE1-O 2.91Å; W44-P47 WeakPolarHBondContact CZ2-O 3.27Å; W44-P47 PolarHBondContact NE1-O 3.4Å; W44-P47 VanDerWaalsContact NE1-O 3.15Å; W44-W80 AromaticContact CD1-NE1 3.99Å; W44-W80 AromaticContact CE2-NE1 3.98Å; W44-W80 AromaticContact NE1-NE1 3.71Å
45N62.3Low76.3Confident165 Ų16567.1 Ų67.188%0.88240%0.397SS*.  trans-90.25172.5-65.8-46.5000113.6G43G43-N45 PolarHBondContact O-N 3.28Å
46G65.6Low76.4Confident33 Ų3367.5 Ų67.534%0.3440%0.401SS..SBendtrans-79.6165.9179.400000113.2W44W44-G46 VanDerWaalsContact NE1-C 3.31Å; W44-G46 PolarHBondContact NE1-O 2.91Å
47P68.5Low76.7Confident113 Ų11364.8 Ų64.873%0.73439%0.389SS*.PPolyproline II helixtrans-60.3154.5169.428-34.5000110.9W44W44-P47 WeakPolarHBondContact CZ2-O 3.27Å; W44-P47 PolarHBondContact NE1-O 3.4Å; W44-P47 VanDerWaalsContact NE1-O 3.15Å
48T74.3Confident76.9Confident94 Ų9462.2 Ų62.258%0.57738%0.38SS*.PPolyproline II helixtrans-62.1135167.7-66.50000108.7G50 W80T48-G50 PolarHBondContact O-N 2.78Å; T48-W80 HydrophobicContact CG2-CH2 3.8Å; T48-W80 HydrophobicContact CG2-CZ2 3.88Å; T48-W80 HydrophobicContact CG2-CZ3 4.45Å
49P81.8Confident77.4Confident8 Ų866 Ų665%0.05239%0.386CS..PPolyproline II helixtrans-59.5134-176.1-21.530.7000110.9C53 W80 K99 Y100P49-C53 HydrophobicContact CB-CB 3.95Å; P49-W80 VanDerWaalsContact CD-CD2 3.46Å; P49-W80 HydrophobicContact CG-CB 3.92Å; P49-W80 HydrophobicContact CG-CD2 3.74Å; P49-W80 HydrophobicContact CG-CE3 4.36Å; P49-W80 HydrophobicContact CG-CG 3.48Å; P49-W80 VanDerWaalsContact CG-CG 3.48Å; P49-K99 WeakPolarHBondContact O-CE 3.43Å; P49-K99 PolarHBondContact O-NZ 3.39Å; P49-Y100 WeakPolarHBondContact CB-O 3.35Å; P49-Y100 WeakPolarHBondContact CG-O 3.21Å
50G74.3Confident78.7Confident45 Ų4565.1 Ų65.146%0.46438%0.375SS..  trans-76-160.7-172.200000114T48 C53T48-G50 PolarHBondContact O-N 2.78Å; G50-C53 WeakPolarHBondContact O-CB 3.14Å; G50-C53 PolarHBondContact O-SG 3.19Å
51E77.6Confident80.1Confident92 Ų9262.2 Ų62.243%0.4336%0.356SS..THydrogen-bonded Turntrans-57.4150.6179.6-50.1-170.2-161.600112C53 R133E51-C53 PolarHBondContact O-N 2.97Å; E51-C53 PolarHBondContact O-SG 3.42Å; E51-R133 VanDerWaalsContact CD-CZ 3.46Å; E51-R133 IonicContact OE1-CZ 2.63Å; E51-R133 IonicContact OE1-NH1 3.15Å; E51-R133 PolarHBondContact OE1-NH1 2.82Å; E51-R133 IonicContact OE1-NH2 2.69Å; E51-R133 PolarHBondContact OE1-NH2 3Å; E51-R133 IonicContact OE2-CZ 3.74Å; E51-R133 IonicContact OE2-NH2 2.64Å; E51-R133 PolarHBondContact OE2-NH2 2.81Å
52H85.3Confident81.4Confident90 Ų9065.9 Ų65.942%0.41736%0.362SS..THydrogen-bonded Turntrans60.88.5175.3-44.4-62.3000115.9E54 Q103H52-E54 PolarHBondContact O-N 3.31Å; H52-Q103 HydrophobicContact CB-CG 3.86Å; H52-Q103 VanDerWaalsContact CB-NE2 3.33Å
53C90.8Very high82.8Confident8 Ų857.1 Ų57.15%0.05432%0.322CS..  trans-83.32.2174-600000112.8P49 G50 E51 K99 Y100 T102 Q103P49-C53 HydrophobicContact CB-CB 3.95Å; G50-C53 WeakPolarHBondContact O-CB 3.14Å; G50-C53 PolarHBondContact O-SG 3.19Å; E51-C53 PolarHBondContact O-N 2.97Å; E51-C53 PolarHBondContact O-SG 3.42Å; C53-K99 WeakPolarHBondContact O-CA 3.37Å; C53-Y100 PolarHBondContact O-N 3.1Å; C53-T102 VanDerWaalsContact SG-C 3.58Å; C53-Q103 PolarHBondContact SG-N 3.01Å; C53-Q103 VanDerWaalsContact SG-N 3.36Å
54E92Very high84.5Confident10 Ų1053.8 Ų53.85%0.04729%0.288CS..EExtended strand (participates in β ladder)trans-113.7139.6-179.9-171.2-1798900112.2H52 R83 Y97 A98 K99 S129H52-E54 PolarHBondContact O-N 3.31Å; E54-R83 VanDerWaalsContact CD-NH2 3.3Å; E54-R83 IonicContact OE1-NH2 3.82Å; E54-R83 PolarHBondContact OE1-NH2 3.1Å; E54-R83 IonicContact OE2-CZ 2.64Å; E54-R83 IonicContact OE2-NH2 3Å; E54-R83 PolarHBondContact OE2-NH2 3.03Å; E54-Y97 HydrophobicContact CG-CD1 4.32Å; E54-Y97 WeakPolarHBondContact OE1-CD1 3.41Å; E54-A98 CarbonylContact C-O 3.57Å; E54-A98 WeakPolarHBondContact CA-O 3.45Å; E54-K99 HydrophobicContact CB-CB 4.26Å; E54-K99 HydrophobicContact CB-CG 4.34Å; E54-K99 HydrophobicContact CG-CB 4.22Å; E54-S129 WeakPolarHBondContact O-CB 3.31Å; E54-S129 PolarHBondContact O-N 3.49Å; E54-S129 WeakPolarHBondContact OE1-CB 3.27Å; E54-S129 PolarHBondContact OE1-OG 2.83Å
55V94.9Very high85.9Confident1 Ų148.9 Ų48.91%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-109.2144.1170.7-56.90000111.2I57 F73 Y97 A98 Y100 A106 A109 V110 V126 R127V55-I57 HydrophobicContact CG2-CG1 4.25Å; V55-F73 HydrophobicContact CG2-CD1 4.33Å; V55-F73 HydrophobicContact CG2-CE1 4.1Å; V55-Y97 WeakPolarHBondContact O-CA 3.32Å; V55-A98 HydrophobicContact CG2-CB 3.79Å; V55-A98 PolarHBondContact N-O 3.41Å; V55-A98 PolarHBondContact O-N 3.32Å; V55-A98 VanDerWaalsContact O-N 3.08Å; V55-Y100 HydrophobicContact CG2-CE2 4.26Å; V55-A106 HydrophobicContact CG1-CB 4.02Å; V55-A106 WeakPolarHBondContact CG1-O 3.42Å; V55-A109 HydrophobicContact CG1-CB 4.23Å; V55-V110 HydrophobicContact CB-CG2 4.44Å; V55-V110 HydrophobicContact CG1-CG2 3.75Å; V55-V126 HydrophobicContact CB-CG1 4.19Å; V55-V126 HydrophobicContact CG2-CG1 4.22Å; V55-R127 CarbonylContact C-O 3.45Å; V55-R127 WeakPolarHBondContact CA-O 3.2Å; V55-R127 WeakPolarHBondContact CB-O 3.44Å
56F94.9Very high87.5Confident48 Ų4841 Ų4121%0.21123%0.227CC..EExtended strand (participates in β ladder)trans-95.4128.9170.3172.9-107.9000109.5F95 Y97 V126 R127F56-F95 HydrophobicContact CE2-CB 3.84Å; F56-F95 AromaticContact CE2-CD2 3.69Å; F56-F95 HydrophobicContact CE2-CD2 3.69Å; F56-F95 HydrophobicContact CE2-CG 4.07Å; F56-F95 HydrophobicContact CZ-CB 4.05Å; F56-F95 HydrophobicContact CZ-CD2 4.49Å; F56-F95 HydrophobicContact CZ-CG 4.49Å; F56-Y97 HydrophobicContact CB-CD1 4.48Å; F56-Y97 HydrophobicContact CB-CE1 4.3Å; F56-Y97 HydrophobicContact CD2-CD1 4.23Å; F56-Y97 AromaticContact CD2-CE1 3.63Å; F56-Y97 HydrophobicContact CD2-CE1 3.63Å; F56-Y97 HydrophobicContact CD2-CE2 4.34Å; F56-Y97 AromaticContact CD2-CZ 3.68Å; F56-Y97 HydrophobicContact CE2-CE1 4.48Å; F56-Y97 HydrophobicContact CG-CE1 4.42Å; F56-V126 WeakPolarHBondContact O-CA 3.36Å; F56-R127 PolarHBondContact N-O 3.27Å; F56-R127 PolarHBondContact O-N 2.91Å
57I96.8Very high88.8Confident0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-115.4126.4-176.1-50.9162.8000107.1V55 I60 F73 F82 F95 A96 A98 L124 V126V55-I57 HydrophobicContact CG2-CG1 4.25Å; I57-I60 HydrophobicContact CB-CD1 4.32Å; I57-I60 HydrophobicContact CG2-CD1 3.84Å; I57-I60 HydrophobicContact CG2-CG1 3.98Å; I57-F73 HydrophobicContact CB-CZ 4.28Å; I57-F73 HydrophobicContact CD1-CD1 3.86Å; I57-F73 HydrophobicContact CD1-CD2 4.05Å; I57-F73 HydrophobicContact CD1-CE1 3.46Å; I57-F73 VanDerWaalsContact CD1-CE1 3.46Å; I57-F73 HydrophobicContact CD1-CE2 3.66Å; I57-F73 HydrophobicContact CD1-CG 4.15Å; I57-F73 HydrophobicContact CD1-CZ 3.36Å; I57-F73 HydrophobicContact CG1-CD1 4.46Å; I57-F73 HydrophobicContact CG1-CE1 3.62Å; I57-F73 HydrophobicContact CG1-CE2 4.22Å; I57-F73 HydrophobicContact CG1-CZ 3.48Å; I57-F73 VanDerWaalsContact CG1-CZ 3.48Å; I57-F73 HydrophobicContact CG2-CE2 4.14Å; I57-F73 HydrophobicContact CG2-CZ 3.79Å; I57-F82 HydrophobicContact CD1-CE2 3.75Å; I57-F82 HydrophobicContact CD1-CZ 4.48Å; I57-F95 CarbonylContact O-C 3.55Å; I57-F95 WeakPolarHBondContact O-CA 3.32Å; I57-F95 WeakPolarHBondContact O-CB 3.31Å; I57-A96 HydrophobicContact CB-CB 4.27Å; I57-A96 HydrophobicContact CD1-CB 4.16Å; I57-A96 PolarHBondContact N-O 2.71Å; I57-A96 PolarHBondContact O-N 3.06Å; I57-A98 HydrophobicContact CD1-CB 3.85Å; I57-L124 HydrophobicContact CG2-CD2 4.47Å; I57-V126 HydrophobicContact CG2-CG2 4.44Å
58S95.8Very high90.1Very high9 Ų937.4 Ų37.46%0.06319%0.194CC..EExtended strand (participates in β ladder)trans-136.1165.8-177.1500000111.8I60 C125S58-I60 VanDerWaalsContact C-N 3.35Å; S58-C125 PolarHBondContact N-O 3.32Å; S58-C125 PolarHBondContact O-N 3.21Å; S58-C125 WeakPolarHBondContact OG-CB 3.43Å; S58-C125 PolarHBondContact OG-O 3.32Å
59H94.3Very high91.1Very high123 Ų12332.9 Ų32.957%0.56917%0.166SC*.  trans65.634.7-172.7-51.7173.3000113.2G94 Y123H59-G94 PolarHBondContact N-O 2.94Å; H59-G94 VanDerWaalsContact N-O 3.13Å; H59-Y123 WeakPolarHBondContact CB-O 3.45Å
60I95.7Very high91.8Very high9 Ų932.7 Ų32.75%0.04616%0.164CC..  trans-74.7130.7173.7-51.8-179.8000108.7I57 S58 A64 L69 L84 G94 A96 L124I57-I60 HydrophobicContact CB-CD1 4.32Å; I57-I60 HydrophobicContact CG2-CD1 3.84Å; I57-I60 HydrophobicContact CG2-CG1 3.98Å; S58-I60 VanDerWaalsContact C-N 3.35Å; I60-A64 HydrophobicContact CG2-CB 4.01Å; I60-L69 HydrophobicContact CD1-CD1 4.11Å; I60-L69 HydrophobicContact CG2-CD1 3.94Å; I60-L69 HydrophobicContact CG2-CD2 4.41Å; I60-L84 HydrophobicContact CD1-CD1 4.14Å; I60-G94 PolarHBondContact N-O 3.04Å; I60-G94 VanDerWaalsContact N-O 3.12Å; I60-G94 WeakPolarHBondContact O-CA 3.02Å; I60-A96 HydrophobicContact CD1-CB 3.56Å; I60-L124 HydrophobicContact CG1-CD2 4.05Å
61P93.4Very high92.8Very high19 Ų1933.3 Ų33.312%0.12316%0.161CC..  trans-56.4142169.6-23.433.9000111D63 A64 N92 L118 E119 C122P61-D63 PolarHBondContact O-N 2.94Å; P61-D63 VanDerWaalsContact O-N 3.12Å; P61-A64 HydrophobicContact CB-CB 4.1Å; P61-A64 HydrophobicContact CG-CB 4.32Å; P61-A64 PolarHBondContact O-N 3.22Å; P61-A64 VanDerWaalsContact O-N 3.11Å; P61-N92 PolarHBondContact O-ND2 3.03Å; P61-L118 HydrophobicContact CG-CD2 4.32Å; P61-E119 HydrophobicContact CG-CG 4.33Å; P61-E119 WeakPolarHBondContact CG-OE2 3.41Å; P61-C122 HydrophobicContact CG-CB 4.01Å
62R90.8Very high93.7Very high132 Ų13229.9 Ų29.950%0.49815%0.145SC..THydrogen-bonded Turntrans-66.9-17.9-168.4-73.3-169.6178.8-122.3-0.8115.3Q91 N92R62-Q91 HydrophobicContact CB-CB 4.46Å; R62-N92 PolarHBondContact O-N 3.35Å; R62-N92 PolarHBondContact O-ND2 3.19Å
63D88.6Confident94.2Very high24 Ų2425.6 Ų25.613%0.12813%0.125CC..THydrogen-bonded Turntrans-1114.8179.360.9-40.3000113.5N10 R13 P61 Y65N10-D63 HydrophobicContact CB-CB 3.87Å; N10-D63 PolarHBondContact ND2-OD2 3.4Å; R13-D63 WeakPolarHBondContact CB-O 3.34Å; R13-D63 HydrophobicContact CG-CB 4.29Å; R13-D63 WeakPolarHBondContact CG-O 3.35Å; P61-D63 PolarHBondContact O-N 2.94Å; P61-D63 VanDerWaalsContact O-N 3.12Å; D63-Y65 WeakPolarHBondContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CE2 3.28Å
64A92.2Very high94.4Very high0 Ų027.2 Ų27.20%014%0.136CC..  trans-78135.1166.300000110.5I60 P61 L68 N92 L118I60-A64 HydrophobicContact CG2-CB 4.01Å; P61-A64 HydrophobicContact CB-CB 4.1Å; P61-A64 HydrophobicContact CG-CB 4.32Å; P61-A64 PolarHBondContact O-N 3.22Å; P61-A64 VanDerWaalsContact O-N 3.11Å; A64-L68 HydrophobicContact CB-CD1 4.1Å; A64-N92 PolarHBondContact O-ND2 3.38Å; A64-L118 HydrophobicContact CB-CD2 3.79Å
65Y94.3Very high94.6Very high3 Ų331 Ų311%0.01216%0.164CC..  trans-127.4-171.6-177.4-54-58.1000112R13 V14 L17 D63 D67 L68 L69 L84 M86R13-Y65 HydrophobicContact CB-CD2 4.05Å; R13-Y65 HydrophobicContact CB-CE2 3.71Å; V14-Y65 HydrophobicContact CG2-CE2 4.11Å; L17-Y65 HydrophobicContact CB-CD2 4.37Å; L17-Y65 HydrophobicContact CD2-CD2 4.19Å; L17-Y65 HydrophobicContact CD2-CG 4.09Å; D63-Y65 WeakPolarHBondContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CE2 3.28Å; Y65-D67 WeakPolarHBondContact CA-OD1 3.38Å; Y65-D67 WeakPolarHBondContact CB-OD1 3.4Å; Y65-D67 PolarHBondContact O-N 3.44Å; Y65-L68 PolarHBondContact O-N 3.47Å; Y65-L69 WeakPolarHBondContact O-CG 3.42Å; Y65-L69 PolarHBondContact O-N 3.05Å; Y65-L69 VanDerWaalsContact O-N 3.11Å; Y65-L84 HydrophobicContact CD1-CD2 4.29Å; Y65-M86 HydrophobicContact CD1-CE 4.26Å; Y65-M86 HydrophobicContact CE1-CE 4.06Å
66E95.1Very high94.6Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-59.4-29.3-176.1-77.785.5161.200113.8L17 W20 L28 R35 L68 L69 I70 P71 F82 L84L17-E66 HydrophobicContact CD1-CB 4.07Å; W20-E66 HydrophobicContact CZ3-CB 4.43Å; L28-E66 HydrophobicContact CD1-CB 4.08Å; L28-E66 HydrophobicContact CD1-CG 3.97Å; L28-E66 HydrophobicContact CD2-CG 4.18Å; R35-E66 VanDerWaalsContact CB-OE1 3.31Å; R35-E66 WeakPolarHBondContact CB-OE1 3.34Å; R35-E66 WeakPolarHBondContact CG-OE1 3.33Å; R35-E66 IonicContact CZ-OE1 3.38Å; R35-E66 IonicContact CZ-OE2 3.32Å; R35-E66 IonicContact NE-OE1 2.91Å; R35-E66 PolarHBondContact NE-OE1 3.31Å; R35-E66 IonicContact NE-OE2 2.73Å; R35-E66 PolarHBondContact NE-OE2 2.86Å; R35-E66 IonicContact NH2-OE1 2.75Å; R35-E66 IonicContact NH2-OE2 3.1Å; R35-E66 PolarHBondContact NH2-OE2 3.22Å; E66-L68 PolarHBondContact O-N 3.38Å; E66-L69 PolarHBondContact O-N 3.25Å; E66-I70 HydrophobicContact CB-CD1 3.57Å; E66-I70 HydrophobicContact CB-CG1 3.97Å; E66-I70 HydrophobicContact CG-CD1 3.72Å; E66-I70 HydrophobicContact CG-CG1 4.18Å; E66-I70 VanDerWaalsContact O-CB 3.23Å; E66-I70 WeakPolarHBondContact O-CB 3.26Å; E66-I70 WeakPolarHBondContact O-CG1 3.44Å; E66-I70 PolarHBondContact O-N 2.86Å; E66-P71 WeakPolarHBondContact O-CD 3.39Å; E66-F82 HydrophobicContact CG-CD1 4.28Å; E66-F82 HydrophobicContact CG-CE1 4.11Å; E66-L84 VanDerWaalsContact OE1-CB 3.31Å; E66-L84 WeakPolarHBondContact OE1-CB 3.49Å; E66-L84 VanDerWaalsContact OE2-CD2 3.28Å; E66-L84 WeakPolarHBondContact OE2-CD2 3.09Å
67D94.5Very high94.4Very high19 Ų1929.9 Ų29.910%0.10216%0.164CC..Hα-helixtrans-56.5-35.1174.163.3-49.7000113.1L17 W20 Y65 P71L17-D67 HydrophobicContact CD1-CB 4.02Å; W20-D67 HydrophobicContact CB-CB 3.82Å; W20-D67 HydrophobicContact CD2-CB 4.05Å; W20-D67 HydrophobicContact CE3-CB 4.37Å; W20-D67 HydrophobicContact CG-CB 3.79Å; Y65-D67 WeakPolarHBondContact CA-OD1 3.38Å; Y65-D67 WeakPolarHBondContact CB-OD1 3.4Å; Y65-D67 PolarHBondContact O-N 3.44Å; D67-P71 WeakPolarHBondContact O-CD 3.29Å; D67-P71 VanDerWaalsContact O-CG 3.25Å; D67-P71 WeakPolarHBondContact O-CG 3.34Å
68L94.9Very high94.1Very high51 Ų5134.8 Ų34.827%0.26720%0.195SC..Hα-helixtrans-90.5-44.3175-52.8177.6000111.5A64 Y65 E66 L72 L118A64-L68 HydrophobicContact CB-CD1 4.1Å; Y65-L68 PolarHBondContact O-N 3.47Å; E66-L68 PolarHBondContact O-N 3.38Å; L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 3.47Å; L68-L118 HydrophobicContact CB-CD1 4.26Å
69L96.4Very high94Very high0 Ų035.1 Ų35.10%020%0.196CC..Hα-helixtrans-77.5-39.9-168.4-63.3169000112.6I60 Y65 E66 L72 F73 F82 L84 L118 L124I60-L69 HydrophobicContact CD1-CD1 4.11Å; I60-L69 HydrophobicContact CG2-CD1 3.94Å; I60-L69 HydrophobicContact CG2-CD2 4.41Å; Y65-L69 WeakPolarHBondContact O-CG 3.42Å; Y65-L69 PolarHBondContact O-N 3.05Å; Y65-L69 VanDerWaalsContact O-N 3.11Å; E66-L69 PolarHBondContact O-N 3.25Å; L69-L72 PolarHBondContact O-N 3.43Å; L69-F73 VanDerWaalsContact O-CD2 3.31Å; L69-F73 WeakPolarHBondContact O-CD2 3.33Å; L69-F73 PolarHBondContact O-N 3.44Å; L69-F82 HydrophobicContact CB-CE1 4.29Å; L69-F82 HydrophobicContact CB-CE2 4.21Å; L69-F82 HydrophobicContact CB-CZ 3.6Å; L69-F82 HydrophobicContact CD1-CZ 4.06Å; L69-F82 HydrophobicContact CG-CZ 4.44Å; L69-L84 HydrophobicContact CD1-CD1 3.98Å; L69-L118 HydrophobicContact CD2-CD1 4.48Å; L69-L118 HydrophobicContact CD2-CD2 4.01Å; L69-L124 HydrophobicContact CD2-CD1 4.44Å
70I95.6Very high93.8Very high3 Ų330.4 Ų30.42%0.01517%0.174CC..Hα-helixtrans-67.3-48.2-178.4-64.6177.4000111.1W20 L28 Y37 E66 L72 F73 S74 L79 F82W20-I70 HydrophobicContact CH2-CB 4.09Å; W20-I70 HydrophobicContact CH2-CD1 3.87Å; W20-I70 HydrophobicContact CH2-CG2 4.15Å; W20-I70 HydrophobicContact CZ2-CB 4.3Å; W20-I70 HydrophobicContact CZ2-CG2 4.31Å; W20-I70 HydrophobicContact CZ3-CD1 4.35Å; L28-I70 HydrophobicContact CD2-CD1 4.33Å; Y37-I70 VanDerWaalsContact CB-CD1 3.44Å; Y37-I70 HydrophobicContact CD1-CD1 3.84Å; Y37-I70 HydrophobicContact CD1-CG1 4.43Å; Y37-I70 HydrophobicContact CD1-CG2 4.13Å; Y37-I70 HydrophobicContact CD2-CD1 3.7Å; Y37-I70 HydrophobicContact CE1-CD1 4.48Å; Y37-I70 HydrophobicContact CE1-CG2 3.83Å; Y37-I70 HydrophobicContact CE2-CD1 4.35Å; Y37-I70 HydrophobicContact CE2-CG2 4.42Å; Y37-I70 HydrophobicContact CG-CD1 3.39Å; Y37-I70 HydrophobicContact CG-CG1 4.43Å; E66-I70 HydrophobicContact CB-CD1 3.57Å; E66-I70 HydrophobicContact CB-CG1 3.97Å; E66-I70 HydrophobicContact CG-CD1 3.72Å; E66-I70 HydrophobicContact CG-CG1 4.18Å; E66-I70 VanDerWaalsContact O-CB 3.23Å; E66-I70 WeakPolarHBondContact O-CB 3.26Å; E66-I70 WeakPolarHBondContact O-CG1 3.44Å; E66-I70 PolarHBondContact O-N 2.86Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.88Å; I70-F73 PolarHBondContact O-N 3.22Å; I70-S74 WeakPolarHBondContact O-CB 3.41Å; I70-S74 PolarHBondContact O-N 3.46Å; I70-S74 PolarHBondContact O-OG 3.14Å; I70-L79 HydrophobicContact CG2-CD1 4.17Å; I70-F82 HydrophobicContact CD1-CD1 4.29Å; I70-F82 HydrophobicContact CG1-CB 4.47Å; I70-F82 HydrophobicContact CG1-CD1 3.88Å; I70-F82 HydrophobicContact CG1-CE1 4.27Å; I70-F82 HydrophobicContact CG1-CG 4.08Å
71P95.3Very high93.6Very high59 Ų5931.1 Ų31.138%0.38318%0.177SC..Hα-helixtrans-60.7-41.5175.3-26.938.5000112.7W20 E66 D67 S74 S75W20-P71 HydrophobicContact CZ2-CG 4.17Å; E66-P71 WeakPolarHBondContact O-CD 3.39Å; D67-P71 WeakPolarHBondContact O-CD 3.29Å; D67-P71 VanDerWaalsContact O-CG 3.25Å; D67-P71 WeakPolarHBondContact O-CG 3.34Å; P71-S74 PolarHBondContact O-N 3.09Å; P71-S75 PolarHBondContact O-N 3.1Å
72L96.4Very high93.6Very high19 Ų1930.2 Ų30.210%0.09917%0.171CC..Hα-helixtrans-59.4-50.6177.7178.663000112L68 L69 I70 S75 L113 Y116 L118 L124L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 PolarHBondContact O-N 3.47Å; L69-L72 PolarHBondContact O-N 3.43Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.88Å; L72-S75 WeakPolarHBondContact O-CB 3.36Å; L72-S75 PolarHBondContact O-N 3.45Å; L72-S75 PolarHBondContact O-OG 2.95Å; L72-L113 HydrophobicContact CD1-CD2 3.77Å; L72-L113 HydrophobicContact CG-CD1 4.42Å; L72-L113 HydrophobicContact CG-CD2 4.12Å; L72-Y116 HydrophobicContact CD1-CD1 4.02Å; L72-Y116 HydrophobicContact CD1-CD2 4.09Å; L72-Y116 HydrophobicContact CD1-CE1 3.66Å; L72-Y116 HydrophobicContact CD1-CE2 3.73Å; L72-Y116 HydrophobicContact CD1-CG 4.22Å; L72-Y116 VanDerWaalsContact CD1-CZ 3.5Å; L72-Y116 HydrophobicContact CD2-CD1 3.54Å; L72-Y116 HydrophobicContact CD2-CE1 3.63Å; L72-Y116 HydrophobicContact CD2-CG 4.21Å; L72-Y116 HydrophobicContact CG-CD1 4.44Å; L72-Y116 HydrophobicContact CG-CE1 4.3Å; L72-L118 HydrophobicContact CD2-CD1 3.98Å; L72-L124 HydrophobicContact CD2-CD1 3.75Å
73F96.4Very high93.8Very high0 Ų025.1 Ų25.10%015%0.152CC..Hα-helixtrans-74.9-25.9-179.6-79.6-96000112.8V55 I57 L69 I70 S75 V76 L79 A98 Y100 L113 L124 V126V55-F73 HydrophobicContact CG2-CD1 4.33Å; V55-F73 HydrophobicContact CG2-CE1 4.1Å; I57-F73 HydrophobicContact CB-CZ 4.28Å; I57-F73 HydrophobicContact CD1-CD1 3.86Å; I57-F73 HydrophobicContact CD1-CD2 4.05Å; I57-F73 HydrophobicContact CD1-CE1 3.46Å; I57-F73 VanDerWaalsContact CD1-CE1 3.46Å; I57-F73 HydrophobicContact CD1-CE2 3.66Å; I57-F73 HydrophobicContact CD1-CG 4.15Å; I57-F73 HydrophobicContact CD1-CZ 3.36Å; I57-F73 HydrophobicContact CG1-CD1 4.46Å; I57-F73 HydrophobicContact CG1-CE1 3.62Å; I57-F73 HydrophobicContact CG1-CE2 4.22Å; I57-F73 HydrophobicContact CG1-CZ 3.48Å; I57-F73 VanDerWaalsContact CG1-CZ 3.48Å; I57-F73 HydrophobicContact CG2-CE2 4.14Å; I57-F73 HydrophobicContact CG2-CZ 3.79Å; L69-F73 VanDerWaalsContact O-CD2 3.31Å; L69-F73 WeakPolarHBondContact O-CD2 3.33Å; L69-F73 PolarHBondContact O-N 3.44Å; I70-F73 PolarHBondContact O-N 3.22Å; F73-S75 VanDerWaalsContact C-N 3.29Å; F73-S75 PolarHBondContact O-N 3.01Å; F73-V76 PolarHBondContact O-N 3.36Å; F73-L79 HydrophobicContact CB-CD1 4.04Å; F73-L79 HydrophobicContact CB-CD2 4.24Å; F73-A98 HydrophobicContact CD1-CB 4Å; F73-A98 HydrophobicContact CG-CB 4.4Å; F73-Y100 PolarHBondContact O-OH 2.84Å; F73-L113 HydrophobicContact CB-CD1 4.44Å; F73-L113 HydrophobicContact CD1-CD1 3.48Å; F73-L113 VanDerWaalsContact CD1-CD1 3.48Å; F73-L113 HydrophobicContact CD2-CD1 4.1Å; F73-L113 HydrophobicContact CE1-CB 4.4Å; F73-L113 HydrophobicContact CE1-CD1 3.52Å; F73-L113 HydrophobicContact CE2-CD1 4.15Å; F73-L113 HydrophobicContact CG-CD1 3.78Å; F73-L113 HydrophobicContact CZ-CB 4.37Å; F73-L113 HydrophobicContact CZ-CD1 3.86Å; F73-L124 HydrophobicContact CE2-CD1 4.14Å; F73-V126 HydrophobicContact CE1-CG1 4.05Å; F73-V126 HydrophobicContact CE1-CG2 4.26Å; F73-V126 HydrophobicContact CZ-CG1 4.42Å; F73-V126 HydrophobicContact CZ-CG2 3.82Å
74S94.9Very high94.1Very high42 Ų4224 Ų2429%0.29415%0.146SC..Hα-helixtrans-70-23.2171.3-58.30000113I70 P71 V76 G77 L79I70-S74 WeakPolarHBondContact O-CB 3.41Å; I70-S74 PolarHBondContact O-N 3.46Å; I70-S74 PolarHBondContact O-OG 3.14Å; P71-S74 PolarHBondContact O-N 3.09Å; S74-V76 PolarHBondContact O-N 3.48Å; S74-G77 WeakPolarHBondContact CA-O 3.42Å; S74-G77 CarbonylContact O-C 3.48Å; S74-G77 PolarHBondContact O-N 2.98Å; S74-G77 VanDerWaalsContact O-N 3.07Å; S74-L79 WeakPolarHBondContact OG-CD1 3.42Å
75S95.1Very high94.1Very high89 Ų8924.8 Ų24.862%0.62215%0.15SC*.THydrogen-bonded Turntrans-65-17.4176.677.80000114.1P71 L72 F73P71-S75 PolarHBondContact O-N 3.1Å; L72-S75 WeakPolarHBondContact O-CB 3.36Å; L72-S75 PolarHBondContact O-N 3.45Å; L72-S75 PolarHBondContact O-OG 2.95Å; F73-S75 VanDerWaalsContact C-N 3.29Å; F73-S75 PolarHBondContact O-N 3.01Å
76V95.3Very high94Very high14 Ų1424.8 Ų24.89%0.08515%0.15CC..THydrogen-bonded Turntrans-84.4-35.6173.3-173.80000110.6F73 S74 Y100 E108 A109 K112 L113F73-V76 PolarHBondContact O-N 3.36Å; S74-V76 PolarHBondContact O-N 3.48Å; V76-Y100 HydrophobicContact CB-CE1 4.41Å; V76-E108 HydrophobicContact CG1-CB 3.83Å; V76-A109 HydrophobicContact CB-CB 4.45Å; V76-A109 HydrophobicContact CG1-CB 4Å; V76-A109 HydrophobicContact CG2-CB 4.26Å; V76-K112 HydrophobicContact CG1-CD 4.26Å; V76-K112 HydrophobicContact CG2-CD 4.42Å; V76-L113 HydrophobicContact CG2-CD1 3.63Å; V76-L113 HydrophobicContact CG2-CD2 4.4Å; V76-L113 HydrophobicContact CG2-CG 3.92Å
77G91.5Very high93.6Very high13 Ų1326.8 Ų26.813%0.13416%0.161CC..SBendtrans166.2172.6-179.100000111.9S74 L79 Y100S74-G77 WeakPolarHBondContact CA-O 3.42Å; S74-G77 CarbonylContact O-C 3.48Å; S74-G77 PolarHBondContact O-N 2.98Å; S74-G77 VanDerWaalsContact O-N 3.07Å; G77-L79 PolarHBondContact O-N 3.08Å; G77-Y100 WeakPolarHBondContact O-CE1 3.28Å
78P90.8Very high92.9Very high102 Ų10234.7 Ų34.766%0.66219%0.194SC*.  trans-63.3126.4-17625.7-34.3000112
79L91.8Very high92.2Very high16 Ų1635.4 Ų35.48%0.08420%0.203CC..EExtended strand (participates in β ladder)trans-77.2129173.2-68.8171.7000110.2Y37 I70 F73 S74 G77 F82 A98 Y100Y37-L79 HydrophobicContact CE1-CB 4.38Å; I70-L79 HydrophobicContact CG2-CD1 4.17Å; F73-L79 HydrophobicContact CB-CD1 4.04Å; F73-L79 HydrophobicContact CB-CD2 4.24Å; S74-L79 WeakPolarHBondContact OG-CD1 3.42Å; G77-L79 PolarHBondContact O-N 3.08Å; L79-F82 HydrophobicContact CD1-CB 4.31Å; L79-F82 HydrophobicContact CD1-CD2 4.31Å; L79-A98 HydrophobicContact CD2-CB 3.84Å; L79-Y100 HydrophobicContact CD2-CD1 4.04Å; L79-Y100 HydrophobicContact CD2-CE1 3.58Å; L79-Y100 HydrophobicContact CD2-CE2 4.2Å; L79-Y100 HydrophobicContact CG-CE1 4.34Å
80W90.6Very high91.4Very high25 Ų2536.5 Ų36.510%0.09522%0.215CC..EExtended strand (participates in β ladder)trans-83.4-41.2172.4-177.188.9000111.1G39 P40 W44 T48 P49 K99G39-W80 WeakPolarHBondContact CA-O 3.47Å; G39-W80 PolarHBondContact N-O 3.41Å; P40-W80 HydrophobicContact CB-CZ2 4.03Å; W44-W80 AromaticContact CD1-NE1 3.99Å; W44-W80 AromaticContact CE2-NE1 3.98Å; W44-W80 AromaticContact NE1-NE1 3.71Å; T48-W80 HydrophobicContact CG2-CH2 3.8Å; T48-W80 HydrophobicContact CG2-CZ2 3.88Å; T48-W80 HydrophobicContact CG2-CZ3 4.45Å; P49-W80 VanDerWaalsContact CD-CD2 3.46Å; P49-W80 HydrophobicContact CG-CB 3.92Å; P49-W80 HydrophobicContact CG-CD2 3.74Å; P49-W80 HydrophobicContact CG-CE3 4.36Å; P49-W80 HydrophobicContact CG-CG 3.48Å; P49-W80 VanDerWaalsContact CG-CG 3.48Å; W80-K99 WeakPolarHBondContact CB-O 3.45Å; W80-K99 HydrophobicContact CE3-CD 3.94Å; W80-K99 HydrophobicContact CE3-CG 4.13Å; W80-K99 HydrophobicContact CZ3-CD 4.19Å; W80-K99 PolarHBondContact N-O 3.43Å
81E91.5Very high91Very high23 Ų2337.3 Ų37.311%0.10722%0.218CC..EExtended strand (participates in β ladder)trans-149.2142.4171.8-177.7-172.18300109.4K36 Y37 R83 K99K36-E81 WeakPolarHBondContact CE-OE2 3.45Å; K36-E81 IonicContact NZ-OE2 3.15Å; K36-E81 PolarHBondContact NZ-OE2 3.12Å; Y37-E81 WeakPolarHBondContact O-CA 2.95Å; E81-R83 HydrophobicContact CG-CG 3.95Å; E81-R83 WeakPolarHBondContact OE1-CD 3.41Å; E81-R83 WeakPolarHBondContact OE1-CG 3.23Å; E81-R83 IonicContact OE1-NE 2.81Å; E81-R83 PolarHBondContact OE1-NE 2.99Å; E81-K99 HydrophobicContact CB-CB 4.35Å; E81-K99 PolarHBondContact N-O 3.14Å; E81-K99 PolarHBondContact O-N 3.18Å
82F94.1Very high90.9Very high0 Ų034.5 Ų34.50%020%0.2CC..EExtended strand (participates in β ladder)trans-127.5139.2168.5-179.5-85000109.9K36 Y37 I57 E66 L69 I70 L79 L84 A96 Y97 A98K36-F82 CarbonylContact C-O 3.49Å; K36-F82 WeakPolarHBondContact CA-O 3.13Å; Y37-F82 HydrophobicContact CD1-CB 4.13Å; Y37-F82 PolarHBondContact N-O 3.34Å; Y37-F82 PolarHBondContact O-N 2.92Å; I57-F82 HydrophobicContact CD1-CE2 3.75Å; I57-F82 HydrophobicContact CD1-CZ 4.48Å; E66-F82 HydrophobicContact CG-CD1 4.28Å; E66-F82 HydrophobicContact CG-CE1 4.11Å; L69-F82 HydrophobicContact CB-CE1 4.29Å; L69-F82 HydrophobicContact CB-CE2 4.21Å; L69-F82 HydrophobicContact CB-CZ 3.6Å; L69-F82 HydrophobicContact CD1-CZ 4.06Å; L69-F82 HydrophobicContact CG-CZ 4.44Å; I70-F82 HydrophobicContact CD1-CD1 4.29Å; I70-F82 HydrophobicContact CG1-CB 4.47Å; I70-F82 HydrophobicContact CG1-CD1 3.88Å; I70-F82 HydrophobicContact CG1-CE1 4.27Å; I70-F82 HydrophobicContact CG1-CG 4.08Å; L79-F82 HydrophobicContact CD1-CB 4.31Å; L79-F82 HydrophobicContact CD1-CD2 4.31Å; F82-L84 HydrophobicContact CE1-CB 4.1Å; F82-A96 HydrophobicContact CE1-CB 4.37Å; F82-A96 HydrophobicContact CE2-CB 4.32Å; F82-A96 HydrophobicContact CZ-CB 3.79Å; F82-Y97 WeakPolarHBondContact CA-O 3.39Å; F82-A98 HydrophobicContact CD2-CB 3.75Å; F82-A98 HydrophobicContact CE2-CB 4.2Å
83R93.9Very high90.8Very high25 Ų2538.4 Ų38.49%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-134.6104.4-174.8-60-171.9-79.6103.15.8110.9R35 K36 E54 E81 A96 Y97R35-R83 WeakPolarHBondContact O-CA 3.48Å; K36-R83 HydrophobicContact CG-CG 4.21Å; E54-R83 VanDerWaalsContact CD-NH2 3.3Å; E54-R83 IonicContact OE1-NH2 3.82Å; E54-R83 PolarHBondContact OE1-NH2 3.1Å; E54-R83 IonicContact OE2-CZ 2.64Å; E54-R83 IonicContact OE2-NH2 3Å; E54-R83 PolarHBondContact OE2-NH2 3.03Å; E81-R83 HydrophobicContact CG-CG 3.95Å; E81-R83 WeakPolarHBondContact OE1-CD 3.41Å; E81-R83 WeakPolarHBondContact OE1-CG 3.23Å; E81-R83 IonicContact OE1-NE 2.81Å; E81-R83 PolarHBondContact OE1-NE 2.99Å; R83-A96 CarbonylContact O-C 3.57Å; R83-A96 VanDerWaalsContact O-CA 3.24Å; R83-A96 WeakPolarHBondContact O-CA 3.43Å; R83-A96 WeakPolarHBondContact O-CB 3.3Å; R83-Y97 PolarHBondContact N-O 2.9Å; R83-Y97 PolarHBondContact O-N 3.29Å
84L95.1Very high90.7Very high0 Ų039.2 Ų39.20%022%0.222CC..EExtended strand (participates in β ladder)trans-86.6132.6169.9-171.358.7000109.9Q34 R35 I60 Y65 E66 L69 F82 M86 N92 A96Q34-L84 CarbonylContact C-O 3.54Å; Q34-L84 WeakPolarHBondContact CA-O 3.31Å; R35-L84 PolarHBondContact N-O 2.93Å; R35-L84 PolarHBondContact O-N 2.75Å; I60-L84 HydrophobicContact CD1-CD1 4.14Å; Y65-L84 HydrophobicContact CD1-CD2 4.29Å; E66-L84 VanDerWaalsContact OE1-CB 3.31Å; E66-L84 WeakPolarHBondContact OE1-CB 3.49Å; E66-L84 VanDerWaalsContact OE2-CD2 3.28Å; E66-L84 WeakPolarHBondContact OE2-CD2 3.09Å; L69-L84 HydrophobicContact CD1-CD1 3.98Å; F82-L84 HydrophobicContact CE1-CB 4.1Å; L84-M86 HydrophobicContact CB-SD 4.43Å; L84-M86 HydrophobicContact CD2-SD 3.65Å; L84-M86 HydrophobicContact CG-SD 3.71Å; L84-N92 HydrophobicContact CD1-CB 3.9Å; L84-N92 HydrophobicContact CD2-CB 4.01Å; L84-N92 HydrophobicContact CG-CB 3.95Å; L84-A96 HydrophobicContact CD1-CB 3.85Å
85M93.8Very high90.7Very high18 Ų1840.1 Ų40.19%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-89.7125179.2-63.1-64.9-173.900110Q34 N92 R93 F95 Y97Q34-M85 HydrophobicContact CB-SD 4.01Å; Q34-M85 HydrophobicContact CG-CE 4.16Å; Q34-M85 HydrophobicContact CG-SD 3.52Å; Q34-M85 VanDerWaalsContact CG-SD 3.52Å; Q34-M85 VanDerWaalsContact OE1-CE 3.3Å; M85-N92 CarbonylContact O-C 3.59Å; M85-N92 VanDerWaalsContact O-CA 3.31Å; M85-N92 WeakPolarHBondContact O-CA 3.38Å; M85-R93 HydrophobicContact CB-CB 4.01Å; M85-R93 HydrophobicContact CB-CG 4.32Å; M85-R93 PolarHBondContact O-N 3.3Å; M85-F95 HydrophobicContact CB-CD2 4.31Å; M85-F95 HydrophobicContact CB-CE1 4.3Å; M85-F95 HydrophobicContact CB-CE2 4.07Å; M85-F95 HydrophobicContact CB-CZ 4.04Å; M85-F95 HydrophobicContact CG-CD2 3.82Å; M85-F95 HydrophobicContact CG-CE2 3.49Å; M85-F95 VanDerWaalsContact CG-CE2 3.49Å; M85-F95 HydrophobicContact CG-CZ 3.9Å; M85-F95 PolarHBondContact N-O 2.88Å; M85-Y97 HydrophobicContact CE-CD2 3.72Å; M85-Y97 HydrophobicContact CE-CE2 3.56Å
86M91Very high90.7Very high3 Ų335.9 Ų35.92%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-117.7149.5-167.9-60-59.3-76.200112.8G33 R35 Y65 L84 G90 N92 R93G33-M86 PolarHBondContact O-N 3.02Å; R35-M86 HydrophobicContact CB-CG 3.89Å; Y65-M86 HydrophobicContact CD1-CE 4.26Å; Y65-M86 HydrophobicContact CE1-CE 4.06Å; L84-M86 HydrophobicContact CB-SD 4.43Å; L84-M86 HydrophobicContact CD2-SD 3.65Å; L84-M86 HydrophobicContact CG-SD 3.71Å; M86-G90 WeakPolarHBondContact CE-O 3.23Å; M86-N92 HydrophobicContact SD-CB 3.74Å; M86-R93 VanDerWaalsContact O-CZ 3.26Å; M86-R93 PolarHBondContact O-NE 3.48Å; M86-R93 PolarHBondContact O-NH2 3.47Å
87N87.2Confident90.7Very high42 Ų4237.3 Ų37.323%0.22520%0.195CC..  trans-94.9160.1168.9-66.3-47.4000110.9S89 G90 Q91 N92 R93N87-S89 WeakPolarHBondContact CB-OG 3.33Å; N87-S89 PolarHBondContact O-N 2.96Å; N87-G90 PolarHBondContact O-N 3.02Å; N87-Q91 WeakPolarHBondContact CB-O 3.42Å; N87-Q91 PolarHBondContact N-O 2.91Å; N87-N92 PolarHBondContact ND2-O 3.14Å; N87-N92 VanDerWaalsContact ND2-O 3.14Å; N87-R93 VanDerWaalsContact OD1-CG 3.22Å; N87-R93 WeakPolarHBondContact OD1-CG 3.28Å; N87-R93 PolarHBondContact OD1-NE 2.86Å
88F80Confident90.9Very high185 Ų18536.7 Ų36.781%0.81119%0.189SC*.THydrogen-bonded Turntrans-63.3-19.9172.2-54.9-70.6000112.5G90 L349F88-G90 PolarHBondContact O-N 2.84Å; F88-L349 HydrophobicContact CD1-CD1 4.35Å
89S79.4Confident91Very high65 Ų6532.6 Ų32.646%0.45516%0.161SC..THydrogen-bonded Turntrans-75.54.5170.261.10000114.4Q9 N87 Q91Q9-S89 PolarHBondContact NE2-O 3.12Å; N87-S89 WeakPolarHBondContact CB-OG 3.33Å; N87-S89 PolarHBondContact O-N 2.96Å; S89-Q91 PolarHBondContact O-N 3.47Å; S89-Q91 VanDerWaalsContact O-N 3.1Å
90G80.5Confident91Very high23 Ų2331.8 Ų31.824%0.23716%0.157CC..SBendtrans73.4-10.4-179.500000115.8M86 N87 F88M86-G90 WeakPolarHBondContact CE-O 3.23Å; N87-G90 PolarHBondContact O-N 3.02Å; F88-G90 PolarHBondContact O-N 2.84Å
91Q87.1Confident90.9Very high20 Ų2032 Ų329%0.09317%0.167CC..  trans-73154.4167-67.8-174.6-37.800111.5Q7 R62 N87 S89Q7-Q91 VanDerWaalsContact CD-NE2 3.34Å; R62-Q91 HydrophobicContact CB-CB 4.46Å; N87-Q91 WeakPolarHBondContact CB-O 3.42Å; N87-Q91 PolarHBondContact N-O 2.91Å; S89-Q91 PolarHBondContact O-N 3.47Å; S89-Q91 VanDerWaalsContact O-N 3.1Å
92N93.2Very high90.8Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-76.6170.9170.677.557.5000112.5P61 R62 A64 L84 M85 M86 N87 G94P61-N92 PolarHBondContact O-ND2 3.03Å; R62-N92 PolarHBondContact O-N 3.35Å; R62-N92 PolarHBondContact O-ND2 3.19Å; A64-N92 PolarHBondContact O-ND2 3.38Å; L84-N92 HydrophobicContact CD1-CB 3.9Å; L84-N92 HydrophobicContact CD2-CB 4.01Å; L84-N92 HydrophobicContact CG-CB 3.95Å; M85-N92 CarbonylContact O-C 3.59Å; M85-N92 VanDerWaalsContact O-CA 3.31Å; M85-N92 WeakPolarHBondContact O-CA 3.38Å; M86-N92 HydrophobicContact SD-CB 3.74Å; N87-N92 PolarHBondContact ND2-O 3.14Å; N87-N92 VanDerWaalsContact ND2-O 3.14Å; N92-G94 WeakPolarHBondContact OD1-CA 3.48Å; N92-G94 PolarHBondContact OD1-N 2.91Å
93R92.9Very high90.7Very high101 Ų10138.2 Ų38.238%0.38120%0.2SC..EExtended strand (participates in β ladder)trans-93.95.9-179-69.2-172.1-178.6166.412.3114.4M85 M86 N87 F95M85-R93 HydrophobicContact CB-CB 4.01Å; M85-R93 HydrophobicContact CB-CG 4.32Å; M85-R93 PolarHBondContact O-N 3.3Å; M86-R93 VanDerWaalsContact O-CZ 3.26Å; M86-R93 PolarHBondContact O-NE 3.48Å; M86-R93 PolarHBondContact O-NH2 3.47Å; N87-R93 VanDerWaalsContact OD1-CG 3.22Å; N87-R93 WeakPolarHBondContact OD1-CG 3.28Å; N87-R93 PolarHBondContact OD1-NE 2.86Å; R93-F95 HydrophobicContact CB-CD1 3.88Å; R93-F95 HydrophobicContact CB-CE1 3.65Å; R93-F95 WeakPolarHBondContact O-CD1 3.44Å
94G94.2Very high90.7Very high18 Ų1841.4 Ų41.419%0.18622%0.222CC..EExtended strand (participates in β ladder)trans82.57.9-177.200000115H59 I60 N92H59-G94 PolarHBondContact N-O 2.94Å; H59-G94 VanDerWaalsContact N-O 3.13Å; I60-G94 PolarHBondContact N-O 3.04Å; I60-G94 VanDerWaalsContact N-O 3.12Å; I60-G94 WeakPolarHBondContact O-CA 3.02Å; N92-G94 WeakPolarHBondContact OD1-CA 3.48Å; N92-G94 PolarHBondContact OD1-N 2.91Å
95F95.6Very high90.7Very high60 Ų6043.1 Ų43.126%0.26323%0.231SC..EExtended strand (participates in β ladder)trans-149.9154.1178.570.2-82.9000113.9F56 I57 M85 R93 Y97F56-F95 HydrophobicContact CE2-CB 3.84Å; F56-F95 AromaticContact CE2-CD2 3.69Å; F56-F95 HydrophobicContact CE2-CD2 3.69Å; F56-F95 HydrophobicContact CE2-CG 4.07Å; F56-F95 HydrophobicContact CZ-CB 4.05Å; F56-F95 HydrophobicContact CZ-CD2 4.49Å; F56-F95 HydrophobicContact CZ-CG 4.49Å; I57-F95 CarbonylContact O-C 3.55Å; I57-F95 WeakPolarHBondContact O-CA 3.32Å; I57-F95 WeakPolarHBondContact O-CB 3.31Å; M85-F95 HydrophobicContact CB-CD2 4.31Å; M85-F95 HydrophobicContact CB-CE1 4.3Å; M85-F95 HydrophobicContact CB-CE2 4.07Å; M85-F95 HydrophobicContact CB-CZ 4.04Å; M85-F95 HydrophobicContact CG-CD2 3.82Å; M85-F95 HydrophobicContact CG-CE2 3.49Å; M85-F95 VanDerWaalsContact CG-CE2 3.49Å; M85-F95 HydrophobicContact CG-CZ 3.9Å; M85-F95 PolarHBondContact N-O 2.88Å; R93-F95 HydrophobicContact CB-CD1 3.88Å; R93-F95 HydrophobicContact CB-CE1 3.65Å; R93-F95 WeakPolarHBondContact O-CD1 3.44Å; F95-Y97 AromaticContact CD2-CE2 3.9Å; F95-Y97 HydrophobicContact CD2-CE2 3.9Å; F95-Y97 AromaticContact CE2-CE2 3.93Å; F95-Y97 HydrophobicContact CE2-CE2 3.93Å
96A96.3Very high90.7Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-145.7170.4-179.900000111.1I57 I60 F82 R83 L84I57-A96 HydrophobicContact CB-CB 4.27Å; I57-A96 HydrophobicContact CD1-CB 4.16Å; I57-A96 PolarHBondContact N-O 2.71Å; I57-A96 PolarHBondContact O-N 3.06Å; I60-A96 HydrophobicContact CD1-CB 3.56Å; F82-A96 HydrophobicContact CE1-CB 4.37Å; F82-A96 HydrophobicContact CE2-CB 4.32Å; F82-A96 HydrophobicContact CZ-CB 3.79Å; R83-A96 CarbonylContact O-C 3.57Å; R83-A96 VanDerWaalsContact O-CA 3.24Å; R83-A96 WeakPolarHBondContact O-CA 3.43Å; R83-A96 WeakPolarHBondContact O-CB 3.3Å; L84-A96 HydrophobicContact CD1-CB 3.85Å
97Y94.7Very high90.9Very high44 Ų4444.3 Ų44.317%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-127.3138.5171.8-62.3-95.7000109.8E54 V55 F56 F82 R83 M85 F95 S129E54-Y97 HydrophobicContact CG-CD1 4.32Å; E54-Y97 WeakPolarHBondContact OE1-CD1 3.41Å; V55-Y97 WeakPolarHBondContact O-CA 3.32Å; F56-Y97 HydrophobicContact CB-CD1 4.48Å; F56-Y97 HydrophobicContact CB-CE1 4.3Å; F56-Y97 HydrophobicContact CD2-CD1 4.23Å; F56-Y97 AromaticContact CD2-CE1 3.63Å; F56-Y97 HydrophobicContact CD2-CE1 3.63Å; F56-Y97 HydrophobicContact CD2-CE2 4.34Å; F56-Y97 AromaticContact CD2-CZ 3.68Å; F56-Y97 HydrophobicContact CE2-CE1 4.48Å; F56-Y97 HydrophobicContact CG-CE1 4.42Å; F82-Y97 WeakPolarHBondContact CA-O 3.39Å; R83-Y97 PolarHBondContact N-O 2.9Å; R83-Y97 PolarHBondContact O-N 3.29Å; M85-Y97 HydrophobicContact CE-CD2 3.72Å; M85-Y97 HydrophobicContact CE-CE2 3.56Å; F95-Y97 AromaticContact CD2-CE2 3.9Å; F95-Y97 HydrophobicContact CD2-CE2 3.9Å; F95-Y97 AromaticContact CE2-CE2 3.93Å; F95-Y97 HydrophobicContact CE2-CE2 3.93Å; Y97-S129 WeakPolarHBondContact CD1-OG 3.31Å; Y97-S129 WeakPolarHBondContact CE1-OG 3.37Å
98A94.5Very high91.4Very high0 Ų045.6 Ų45.60%025%0.245CC..EExtended strand (participates in β ladder)trans-126121.8174.500000109.4E54 V55 I57 F73 L79 F82 Y100E54-A98 CarbonylContact C-O 3.57Å; E54-A98 WeakPolarHBondContact CA-O 3.45Å; V55-A98 HydrophobicContact CG2-CB 3.79Å; V55-A98 PolarHBondContact N-O 3.41Å; V55-A98 PolarHBondContact O-N 3.32Å; V55-A98 VanDerWaalsContact O-N 3.08Å; I57-A98 HydrophobicContact CD1-CB 3.85Å; F73-A98 HydrophobicContact CD1-CB 4Å; F73-A98 HydrophobicContact CG-CB 4.4Å; L79-A98 HydrophobicContact CD2-CB 3.84Å; F82-A98 HydrophobicContact CD2-CB 3.75Å; F82-A98 HydrophobicContact CE2-CB 4.2Å; A98-Y100 HydrophobicContact CB-CE2 4.45Å
99K92.6Very high92.2Very high16 Ų1636.8 Ų36.87%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-109.8124.6-179.2-174.6161.1179.6162.10109.8P49 C53 E54 W80 E81P49-K99 WeakPolarHBondContact O-CE 3.43Å; P49-K99 PolarHBondContact O-NZ 3.39Å; C53-K99 WeakPolarHBondContact O-CA 3.37Å; E54-K99 HydrophobicContact CB-CB 4.26Å; E54-K99 HydrophobicContact CB-CG 4.34Å; E54-K99 HydrophobicContact CG-CB 4.22Å; W80-K99 WeakPolarHBondContact CB-O 3.45Å; W80-K99 HydrophobicContact CE3-CD 3.94Å; W80-K99 HydrophobicContact CE3-CG 4.13Å; W80-K99 HydrophobicContact CZ3-CD 4.19Å; W80-K99 PolarHBondContact N-O 3.43Å; E81-K99 HydrophobicContact CB-CB 4.35Å; E81-K99 PolarHBondContact N-O 3.14Å; E81-K99 PolarHBondContact O-N 3.18Å
100Y92.3Very high93Very high0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-99.8168.7178.4-66.9-84.5000111.2P49 C53 V55 F73 V76 G77 L79 A98 T102 L105 A106 A109P49-Y100 WeakPolarHBondContact CB-O 3.35Å; P49-Y100 WeakPolarHBondContact CG-O 3.21Å; C53-Y100 PolarHBondContact O-N 3.1Å; V55-Y100 HydrophobicContact CG2-CE2 4.26Å; F73-Y100 PolarHBondContact O-OH 2.84Å; V76-Y100 HydrophobicContact CB-CE1 4.41Å; G77-Y100 WeakPolarHBondContact O-CE1 3.28Å; L79-Y100 HydrophobicContact CD2-CD1 4.04Å; L79-Y100 HydrophobicContact CD2-CE1 3.58Å; L79-Y100 HydrophobicContact CD2-CE2 4.2Å; L79-Y100 HydrophobicContact CG-CE1 4.34Å; A98-Y100 HydrophobicContact CB-CE2 4.45Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 2.75Å; Y100-L105 HydrophobicContact CD1-CB 3.9Å; Y100-L105 HydrophobicContact CD1-CD1 4.38Å; Y100-L105 HydrophobicContact CG-CB 3.83Å; Y100-A106 HydrophobicContact CD2-CB 4.07Å; Y100-A109 HydrophobicContact CE2-CB 3.56Å; Y100-A109 WeakPolarHBondContact OH-CB 3.31Å
101G89.2Confident93.7Very high29 Ų2940 Ų4030%0.29921%0.213SC..SBendtrans-66.7-24.3172.500000114.7
102T89.6Confident94.1Very high65 Ų6544.8 Ų44.840%0.39923%0.234SC..SBendtrans-140.8154.1-175.469.30000113.1C53 Y100 T104 L105 A106C53-T102 VanDerWaalsContact SG-C 3.58Å; Y100-T102 VanDerWaalsContact C-N 3.29Å; Y100-T102 PolarHBondContact O-N 2.75Å; T102-T104 PolarHBondContact O-N 3.01Å; T102-L105 PolarHBondContact O-N 2.97Å; T102-L105 WeakPolarHBondContact OG1-CG 3.33Å; T102-L105 PolarHBondContact OG1-N 2.92Å; T102-A106 PolarHBondContact O-N 3.39Å
103Q92Very high94.3Very high88 Ų8845.1 Ų45.141%0.41124%0.236SC..Hα-helixtrans-63.6-30.1174.8-172.7-177.828.100112.2H52 C53 A106 T107H52-Q103 HydrophobicContact CB-CG 3.86Å; H52-Q103 VanDerWaalsContact CB-NE2 3.33Å; C53-Q103 PolarHBondContact SG-N 3.01Å; C53-Q103 VanDerWaalsContact SG-N 3.36Å; Q103-A106 PolarHBondContact O-N 3.37Å; Q103-T107 WeakPolarHBondContact O-CB 3.32Å; Q103-T107 PolarHBondContact O-N 2.75Å; Q103-T107 PolarHBondContact O-OG1 3.11Å
104T93.8Very high94.5Very high92 Ų9243 Ų4356%0.56423%0.232SC*.Hα-helixtrans-62-51.3175.8-47.30000110.8T102 A106 T107 E108T102-T104 PolarHBondContact O-N 3.01Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.2Å; T104-T107 WeakPolarHBondContact O-CB 3.49Å; T104-T107 PolarHBondContact O-N 2.67Å; T104-E108 PolarHBondContact O-N 2.8Å
105L94.8Very high94.4Very high36 Ų3643 Ų4319%0.18823%0.231CC..Hα-helixtrans-60.6-42177.5-70.5174.9000112.2Y100 T102 T107 E108 A109Y100-L105 HydrophobicContact CD1-CB 3.9Å; Y100-L105 HydrophobicContact CD1-CD1 4.38Å; Y100-L105 HydrophobicContact CG-CB 3.83Å; T102-L105 PolarHBondContact O-N 2.97Å; T102-L105 WeakPolarHBondContact OG1-CG 3.33Å; T102-L105 PolarHBondContact OG1-N 2.92Å; L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3Å; L105-E108 PolarHBondContact O-N 2.96Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 2.92Å
106A94.4Very high94.4Very high2 Ų244.8 Ų44.82%0.01724%0.237CC..Hα-helixtrans-62.4-35.9174.700000112.6V55 Y100 T102 Q103 T104 V110V55-A106 HydrophobicContact CG1-CB 4.02Å; V55-A106 WeakPolarHBondContact CG1-O 3.42Å; Y100-A106 HydrophobicContact CD2-CB 4.07Å; T102-A106 PolarHBondContact O-N 3.39Å; Q103-A106 PolarHBondContact O-N 3.37Å; T104-A106 VanDerWaalsContact C-N 3.34Å; T104-A106 PolarHBondContact O-N 3.2Å; A106-V110 PolarHBondContact O-N 3.15Å
107T95.1Very high94.2Very high44 Ų4448.5 Ų48.527%0.2726%0.256SS..Hα-helixtrans-72.3-41.6177-52.40000111.2Q103 T104 L105 A109 V110 L111 R128Q103-T107 WeakPolarHBondContact O-CB 3.32Å; Q103-T107 PolarHBondContact O-N 2.75Å; Q103-T107 PolarHBondContact O-OG1 3.11Å; T104-T107 WeakPolarHBondContact O-CB 3.49Å; T104-T107 PolarHBondContact O-N 2.67Å; L105-T107 VanDerWaalsContact C-N 3.29Å; L105-T107 PolarHBondContact O-N 3Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.16Å; T107-V110 PolarHBondContact O-N 3.45Å; T107-L111 HydrophobicContact CG2-CD1 4.44Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 3.1Å; T107-L111 VanDerWaalsContact O-N 3.08Å; T107-R128 PolarHBondContact OG1-NH2 2.84Å
108E96.4Very high94.1Very high70 Ų7047.9 Ų47.933%0.32726%0.255SS..Hα-helixtrans-62-38.8172.6-74.4-166.4-158.300112.7V76 T104 L105 V110 L111 K112V76-E108 HydrophobicContact CG1-CB 3.83Å; T104-E108 PolarHBondContact O-N 2.8Å; L105-E108 PolarHBondContact O-N 2.96Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.38Å; E108-L111 PolarHBondContact O-N 2.87Å; E108-L111 VanDerWaalsContact O-N 3.13Å; E108-K112 HydrophobicContact CB-CD 4.42Å; E108-K112 VanDerWaalsContact O-CB 3.31Å; E108-K112 WeakPolarHBondContact O-CB 3.21Å; E108-K112 WeakPolarHBondContact O-CG 3.25Å; E108-K112 PolarHBondContact O-N 3.25Å; E108-K112 WeakPolarHBondContact OE2-CE 3.15Å; E108-K112 IonicContact OE2-NZ 2.76Å; E108-K112 PolarHBondContact OE2-NZ 3.32Å
109A96.8Very high93.7Very high0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-60.8-41.4176.500000111.7V55 V76 Y100 L105 T107 L113V55-A109 HydrophobicContact CG1-CB 4.23Å; V76-A109 HydrophobicContact CB-CB 4.45Å; V76-A109 HydrophobicContact CG1-CB 4Å; V76-A109 HydrophobicContact CG2-CB 4.26Å; Y100-A109 HydrophobicContact CE2-CB 3.56Å; Y100-A109 WeakPolarHBondContact OH-CB 3.31Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 2.92Å; T107-A109 VanDerWaalsContact C-N 3.33Å; T107-A109 PolarHBondContact O-N 3.16Å; A109-L113 VanDerWaalsContact O-CB 3.26Å; A109-L113 WeakPolarHBondContact O-CB 3.44Å; A109-L113 PolarHBondContact O-N 2.93Å
110V96.6Very high93.4Very high29 Ų2954.1 Ų54.118%0.17630%0.295CS..Hα-helixtrans-61.7-45.3172.1174.30000111.2V55 A106 T107 E108 N114 V126 R128V55-V110 HydrophobicContact CB-CG2 4.44Å; V55-V110 HydrophobicContact CG1-CG2 3.75Å; A106-V110 PolarHBondContact O-N 3.15Å; T107-V110 PolarHBondContact O-N 3.45Å; E108-V110 VanDerWaalsContact C-N 3.32Å; E108-V110 PolarHBondContact O-N 3.38Å; V110-N114 WeakPolarHBondContact O-CB 3.22Å; V110-N114 PolarHBondContact O-N 3.07Å; V110-V126 HydrophobicContact CG2-CG1 4.29Å; V110-R128 HydrophobicContact CG2-CG 4.28Å
111L95.8Very high93.2Very high127 Ų12763.1 Ų63.167%0.66533%0.333SS*.Hα-helixtrans-70-33.5-177.6-68.2172000114T107 E108T107-L111 HydrophobicContact CG2-CD1 4.44Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 3.1Å; T107-L111 VanDerWaalsContact O-N 3.08Å; E108-L111 PolarHBondContact O-N 2.87Å; E108-L111 VanDerWaalsContact O-N 3.13Å
112K95.8Very high93.1Very high120 Ų12063.9 Ų63.952%0.52233%0.334SS..Hα-helixtrans-89.6-38.6-176.6-71.5171.1173.8169.40113V76 E108V76-K112 HydrophobicContact CG1-CD 4.26Å; V76-K112 HydrophobicContact CG2-CD 4.42Å; E108-K112 HydrophobicContact CB-CD 4.42Å; E108-K112 VanDerWaalsContact O-CB 3.31Å; E108-K112 WeakPolarHBondContact O-CB 3.21Å; E108-K112 WeakPolarHBondContact O-CG 3.25Å; E108-K112 PolarHBondContact O-N 3.25Å; E108-K112 WeakPolarHBondContact OE2-CE 3.15Å; E108-K112 IonicContact OE2-NZ 2.76Å; E108-K112 PolarHBondContact OE2-NZ 3.32Å
113L96.9Very high93.4Very high7 Ų766.5 Ų66.54%0.03734%0.337CS..Hα-helixtrans-106.8-9.7-169.4-55.1179000114.6L72 F73 V76 A109 G115 Y116 V126L72-L113 HydrophobicContact CD1-CD2 3.77Å; L72-L113 HydrophobicContact CG-CD1 4.42Å; L72-L113 HydrophobicContact CG-CD2 4.12Å; F73-L113 HydrophobicContact CB-CD1 4.44Å; F73-L113 HydrophobicContact CD1-CD1 3.48Å; F73-L113 VanDerWaalsContact CD1-CD1 3.48Å; F73-L113 HydrophobicContact CD2-CD1 4.1Å; F73-L113 HydrophobicContact CE1-CB 4.4Å; F73-L113 HydrophobicContact CE1-CD1 3.52Å; F73-L113 HydrophobicContact CE2-CD1 4.15Å; F73-L113 HydrophobicContact CG-CD1 3.78Å; F73-L113 HydrophobicContact CZ-CB 4.37Å; F73-L113 HydrophobicContact CZ-CD1 3.86Å; V76-L113 HydrophobicContact CG2-CD1 3.63Å; V76-L113 HydrophobicContact CG2-CD2 4.4Å; V76-L113 HydrophobicContact CG2-CG 3.92Å; A109-L113 VanDerWaalsContact O-CB 3.26Å; A109-L113 WeakPolarHBondContact O-CB 3.44Å; A109-L113 PolarHBondContact O-N 2.93Å; L113-G115 PolarHBondContact O-N 2.95Å; L113-Y116 HydrophobicContact CD2-CD2 4.38Å; L113-Y116 WeakPolarHBondContact O-CB 3.41Å; L113-Y116 PolarHBondContact O-N 3.47Å; L113-V126 HydrophobicContact CB-CG2 4.11Å; L113-V126 WeakPolarHBondContact O-CG2 3.46Å
114N96.3Very high93.6Very high57 Ų5762.4 Ų62.431%0.30532%0.318SS..THydrogen-bonded Turntrans-68.8123.7172.4-174.652.1000110.9V110 Y116 C125 V126V110-N114 WeakPolarHBondContact O-CB 3.22Å; V110-N114 PolarHBondContact O-N 3.07Å; N114-Y116 VanDerWaalsContact C-N 3.34Å; N114-C125 WeakPolarHBondContact OD1-CA 2.96Å; N114-V126 HydrophobicContact CB-CB 4.09Å; N114-V126 WeakPolarHBondContact CB-O 3.44Å; N114-V126 PolarHBondContact OD1-N 3.1Å; N114-V126 PolarHBondContact OD1-O 2.98Å
115G93Very high93.7Very high17 Ų1758 Ų5818%0.17529%0.292CS..THydrogen-bonded Turntrans78.513.7-170.700000114.2L113 M117 Y123 L124L113-G115 PolarHBondContact O-N 2.95Å; G115-M117 PolarHBondContact O-N 3.23Å; G115-Y123 WeakPolarHBondContact O-CD1 3.06Å; G115-L124 WeakPolarHBondContact CA-O 3.48Å; G115-L124 PolarHBondContact N-O 3.32Å
116Y94.9Very high93.8Very high97 Ų9756.3 Ų56.338%0.3828%0.283SS..  trans-65.8129.6173.5-176.2-89.8000110.8L72 L113 N114 L118 Y123 L124L72-Y116 HydrophobicContact CD1-CD1 4.02Å; L72-Y116 HydrophobicContact CD1-CD2 4.09Å; L72-Y116 HydrophobicContact CD1-CE1 3.66Å; L72-Y116 HydrophobicContact CD1-CE2 3.73Å; L72-Y116 HydrophobicContact CD1-CG 4.22Å; L72-Y116 VanDerWaalsContact CD1-CZ 3.5Å; L72-Y116 HydrophobicContact CD2-CD1 3.54Å; L72-Y116 HydrophobicContact CD2-CE1 3.63Å; L72-Y116 HydrophobicContact CD2-CG 4.21Å; L72-Y116 HydrophobicContact CG-CD1 4.44Å; L72-Y116 HydrophobicContact CG-CE1 4.3Å; L113-Y116 HydrophobicContact CD2-CD2 4.38Å; L113-Y116 WeakPolarHBondContact O-CB 3.41Å; L113-Y116 PolarHBondContact O-N 3.47Å; N114-Y116 VanDerWaalsContact C-N 3.34Å; Y116-L118 HydrophobicContact CE1-CD1 4.35Å; Y116-L118 PolarHBondContact O-N 2.66Å; Y116-Y123 CarbonylContact O-C 3.51Å; Y116-Y123 WeakPolarHBondContact O-CA 3.48Å; Y116-L124 HydrophobicContact CD1-CD1 4.39Å; Y116-L124 PolarHBondContact O-N 2.97Å
117M93.6Very high93.8Very high79 Ų7960 Ų6039%0.38930%0.296SS..EExtended strand (participates in β ladder)trans-82.9100.4177.5-169.4173.167.200109.7G115 E119 C122 Y123G115-M117 PolarHBondContact O-N 3.23Å; M117-E119 WeakPolarHBondContact CG-O 3.31Å; M117-C122 CarbonylContact C-O 3.46Å; M117-C122 WeakPolarHBondContact CA-O 3.37Å; M117-Y123 HydrophobicContact CB-CD1 3.75Å; M117-Y123 HydrophobicContact CB-CE1 3.63Å; M117-Y123 HydrophobicContact CG-CD1 4.13Å; M117-Y123 HydrophobicContact CG-CE1 3.81Å; M117-Y123 HydrophobicContact SD-CE1 3.92Å
118L90.9Very high93.6Very high31 Ų3163.5 Ų63.516%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-73.6-37.2179.2-170.469.7000111.5P61 A64 L68 L69 L72 Y116 C122 L124P61-L118 HydrophobicContact CG-CD2 4.32Å; A64-L118 HydrophobicContact CB-CD2 3.79Å; L68-L118 HydrophobicContact CB-CD1 4.26Å; L69-L118 HydrophobicContact CD2-CD1 4.48Å; L69-L118 HydrophobicContact CD2-CD2 4.01Å; L72-L118 HydrophobicContact CD2-CD1 3.98Å; Y116-L118 HydrophobicContact CE1-CD1 4.35Å; Y116-L118 PolarHBondContact O-N 2.66Å; L118-C122 PolarHBondContact N-O 3.26Å; L118-L124 HydrophobicContact CB-CD1 4.43Å; L118-L124 HydrophobicContact CB-CD2 4.42Å; L118-L124 HydrophobicContact CB-CG 4.2Å; L118-L124 HydrophobicContact CD2-CD2 4.3Å
119E87.2Confident93.2Very high31 Ų3160.8 Ų60.815%0.14529%0.293CS..EExtended strand (participates in β ladder)trans-143.4162.4-179.8-55-175.3154.300108.9R13 P61 M117 K121 C122R13-E119 IonicContact CZ-OE1 3.81Å; R13-E119 VanDerWaalsContact CZ-OE1 3.27Å; R13-E119 IonicContact NH1-OE1 2.75Å; R13-E119 IonicContact NH2-OE1 2.67Å; R13-E119 PolarHBondContact NH2-OE1 2.88Å; P61-E119 HydrophobicContact CG-CG 4.33Å; P61-E119 WeakPolarHBondContact CG-OE2 3.41Å; M117-E119 WeakPolarHBondContact CG-O 3.31Å; E119-K121 PolarHBondContact O-N 2.95Å; E119-C122 HydrophobicContact CB-CB 4.04Å; E119-C122 PolarHBondContact O-N 2.73Å
120P86.6Confident92.5Very high116 Ų11665.6 Ų65.675%0.75332%0.322SS*.THydrogen-bonded Turntrans-52.9117.1-179.5-27.536.2000112.4C122P120-C122 VanDerWaalsContact C-N 3.28Å; P120-C122 PolarHBondContact O-N 2.93Å
121K86.8Confident91.5Very high188 Ų18866 Ų6682%0.81732%0.323SS*.THydrogen-bonded Turntrans70.56.5-175.6-47.1174.7-177.6175.40116E119E119-K121 PolarHBondContact O-N 2.95Å
122C88.9Confident91Very high46 Ų4665.7 Ų65.731%0.31132%0.316SS..EExtended strand (participates in β ladder)trans-108.1105.7176.7-64.50000111.2P61 M117 L118 E119 P120P61-C122 HydrophobicContact CG-CB 4.01Å; M117-C122 CarbonylContact C-O 3.46Å; M117-C122 WeakPolarHBondContact CA-O 3.37Å; L118-C122 PolarHBondContact N-O 3.26Å; E119-C122 HydrophobicContact CB-CB 4.04Å; E119-C122 PolarHBondContact O-N 2.73Å; P120-C122 VanDerWaalsContact C-N 3.28Å; P120-C122 PolarHBondContact O-N 2.93Å
123Y94.1Very high90.6Very high119 Ų11961.2 Ų61.247%0.46730%0.295SS..EExtended strand (participates in β ladder)trans-106.7125.9-177.5-57.3-87.4000111.6H59 G115 Y116 M117H59-Y123 WeakPolarHBondContact CB-O 3.45Å; G115-Y123 WeakPolarHBondContact O-CD1 3.06Å; Y116-Y123 CarbonylContact O-C 3.51Å; Y116-Y123 WeakPolarHBondContact O-CA 3.48Å; M117-Y123 HydrophobicContact CB-CD1 3.75Å; M117-Y123 HydrophobicContact CB-CE1 3.63Å; M117-Y123 HydrophobicContact CG-CD1 4.13Å; M117-Y123 HydrophobicContact CG-CE1 3.81Å; M117-Y123 HydrophobicContact SD-CE1 3.92Å
124L96.6Very high90.4Very high2 Ų264.2 Ų64.21%0.0131%0.309CS..  trans-70.1135.2175.6-62.5-179.3000110.9I57 I60 L69 L72 F73 G115 Y116 L118 V126I57-L124 HydrophobicContact CG2-CD2 4.47Å; I60-L124 HydrophobicContact CG1-CD2 4.05Å; L69-L124 HydrophobicContact CD2-CD1 4.44Å; L72-L124 HydrophobicContact CD2-CD1 3.75Å; F73-L124 HydrophobicContact CE2-CD1 4.14Å; G115-L124 WeakPolarHBondContact CA-O 3.48Å; G115-L124 PolarHBondContact N-O 3.32Å; Y116-L124 HydrophobicContact CD1-CD1 4.39Å; Y116-L124 PolarHBondContact O-N 2.97Å; L118-L124 HydrophobicContact CB-CD1 4.43Å; L118-L124 HydrophobicContact CB-CD2 4.42Å; L118-L124 HydrophobicContact CB-CG 4.2Å; L118-L124 HydrophobicContact CD2-CD2 4.3Å; L124-V126 HydrophobicContact CB-CG2 4.21Å
125C96.3Very high90.2Very high1 Ų161.5 Ų61.51%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-103.6107.8170.2-1780000108.6S58 N114 R127 C221S58-C125 PolarHBondContact N-O 3.32Å; S58-C125 PolarHBondContact O-N 3.21Å; S58-C125 WeakPolarHBondContact OG-CB 3.43Å; S58-C125 PolarHBondContact OG-O 3.32Å; N114-C125 WeakPolarHBondContact OD1-CA 2.96Å; C125-R127 VanDerWaalsContact SG-CZ 3.6Å; C125-C221 HydrophobicContact CB-CB 4.24Å; C125-C221 WeakPolarHBondContact CB-SG 3.24Å; C125-C221 WeakPolarHBondContact SG-CB 3.46Å; C125-C221 CovalentContact SG-SG 2.05Å; C125-C221 PolarHBondContact SG-SG 2.64Å
126V96.4Very high90.2Very high0 Ų062 Ų620%030%0.295CS..EExtended strand (participates in β ladder)trans-112.3124.5-173.4-173.40000109.5V55 F56 I57 F73 V110 L113 N114 L124V55-V126 HydrophobicContact CB-CG1 4.19Å; V55-V126 HydrophobicContact CG2-CG1 4.22Å; F56-V126 WeakPolarHBondContact O-CA 3.36Å; I57-V126 HydrophobicContact CG2-CG2 4.44Å; F73-V126 HydrophobicContact CE1-CG1 4.05Å; F73-V126 HydrophobicContact CE1-CG2 4.26Å; F73-V126 HydrophobicContact CZ-CG1 4.42Å; F73-V126 HydrophobicContact CZ-CG2 3.82Å; V110-V126 HydrophobicContact CG2-CG1 4.29Å; L113-V126 HydrophobicContact CB-CG2 4.11Å; L113-V126 WeakPolarHBondContact O-CG2 3.46Å; N114-V126 HydrophobicContact CB-CB 4.09Å; N114-V126 WeakPolarHBondContact CB-O 3.44Å; N114-V126 PolarHBondContact OD1-N 3.1Å; N114-V126 PolarHBondContact OD1-O 2.98Å; L124-V126 HydrophobicContact CB-CG2 4.21Å
127R94.3Very high90.1Very high79 Ų7957.4 Ų57.430%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-139.5167-176.7-73.2175.4-74.8-170.8-3.2110.5V55 F56 C125V55-R127 CarbonylContact C-O 3.45Å; V55-R127 WeakPolarHBondContact CA-O 3.2Å; V55-R127 WeakPolarHBondContact CB-O 3.44Å; F56-R127 PolarHBondContact N-O 3.27Å; F56-R127 PolarHBondContact O-N 2.91Å; C125-R127 VanDerWaalsContact SG-CZ 3.6Å
128R91.2Very high89.9Confident118 Ų11853.9 Ų53.945%0.44526%0.262SS..EExtended strand (participates in β ladder)trans-63.6138.4173.7-54.6-174.5101.8155.17.1109.5T107 V110T107-R128 PolarHBondContact OG1-NH2 2.84Å; V110-R128 HydrophobicContact CG2-CG 4.28Å
129S88.5Confident89.8Confident12 Ų1256.8 Ų56.88%0.08428%0.277CS..  trans-68.4139.8177.8-167.40000110.9E54 Y97E54-S129 WeakPolarHBondContact O-CB 3.31Å; E54-S129 PolarHBondContact O-N 3.49Å; E54-S129 WeakPolarHBondContact OE1-CB 3.27Å; E54-S129 PolarHBondContact OE1-OG 2.83Å; Y97-S129 WeakPolarHBondContact CD1-OG 3.31Å; Y97-S129 WeakPolarHBondContact CE1-OG 3.37Å
130T81.8Confident89.8Confident101 Ų10155.5 Ų55.562%0.6227%0.271SS*.  trans-100.185.8175.844.90000109.9K132T130-K132 PolarHBondContact O-N 2.64Å; T130-K132 VanDerWaalsContact O-N 3.08Å
131E76.4Confident89.8Confident39 Ų3953 Ų5318%0.18226%0.255CS..  trans-71102.7-178.3-63.4-169.9-124.600111.9R133 H183E131-R133 VanDerWaalsContact C-N 3.31Å; E131-R133 HydrophobicContact CB-CG 3.82Å; E131-R133 PolarHBondContact O-N 2.83Å; E131-H183 HydrophobicContact CB-CB 4.3Å
132K84.6Confident89.6Confident120 Ų12048 Ų4852%0.52225%0.248SC..  trans-72.384.9170.6-55.8-177.1-179-177.50109.9T130 H183 W209T130-K132 PolarHBondContact O-N 2.64Å; T130-K132 VanDerWaalsContact O-N 3.08Å; K132-H183 PolarHBondContact O-CD2 3.3Å; K132-W209 HydrophobicContact CB-CD2 4.45Å; K132-W209 HydrophobicContact CB-CE3 3.91Å; K132-W209 HydrophobicContact CB-CZ3 4.02Å; K132-W209 WeakPolarHBondContact O-CZ3 3.08Å
133R88.3Confident89.4Confident25 Ų2550 Ų509%0.09427%0.269CS..  trans-95.3-3-178-61.8-169.8-56.8125.6-0.2114.5E51 E131 E161 F180E51-R133 VanDerWaalsContact CD-CZ 3.46Å; E51-R133 IonicContact OE1-CZ 2.63Å; E51-R133 IonicContact OE1-NH1 3.15Å; E51-R133 PolarHBondContact OE1-NH1 2.82Å; E51-R133 IonicContact OE1-NH2 2.69Å; E51-R133 PolarHBondContact OE1-NH2 3Å; E51-R133 IonicContact OE2-CZ 3.74Å; E51-R133 IonicContact OE2-NH2 2.64Å; E51-R133 PolarHBondContact OE2-NH2 2.81Å; E131-R133 VanDerWaalsContact C-N 3.31Å; E131-R133 HydrophobicContact CB-CG 3.82Å; E131-R133 PolarHBondContact O-N 2.83Å; R133-E161 IonicContact NH1-OE2 3.44Å; R133-E161 PolarHBondContact NH1-OE2 2.64Å; R133-F180 WeakPolarHBondContact CB-O 3.48Å; R133-F180 WeakPolarHBondContact CD-O 3.3Å; R133-F180 PolarHBondContact NH1-O 3.44Å; R133-F180 WeakPolarHBondContact O-CD2 3.34Å; R133-F180 PolarHBondContact O-N 3.43Å
134H91.2Very high89.1Confident70 Ų7046 Ų4632%0.32426%0.256SS..EExtended strand (participates in β ladder)trans-110.2124.4-174.7-62.7168.5000111.1V177 V178 E210H134-V177 HydrophobicContact CB-CG1 4.3Å; H134-V178 WeakPolarHBondContact CA-O 3.44Å; H134-E210 HydrophobicContact CB-CB 3.63Å; H134-E210 HydrophobicContact CB-CG 4.23Å; H134-E210 PolarHBondContact O-N 3.11Å
135L92.9Very high88.8Confident0 Ų052.6 Ų52.60%029%0.285CS..EExtended strand (participates in β ladder)trans-109.4141.4170.9-65.4-179.8000110.2V177 V178 F180 A189 K190 I207 K208 W209L135-V177 CarbonylContact O-C 3.55Å; L135-V177 VanDerWaalsContact O-CA 3.31Å; L135-V177 WeakPolarHBondContact O-CA 3.04Å; L135-V178 PolarHBondContact N-O 3.2Å; L135-V178 PolarHBondContact O-N 2.8Å; L135-F180 HydrophobicContact CB-CE2 4.16Å; L135-F180 HydrophobicContact CD1-CD2 4.43Å; L135-F180 HydrophobicContact CD1-CE2 3.59Å; L135-F180 HydrophobicContact CD1-CZ 4.01Å; L135-F180 HydrophobicContact CG-CD2 4.4Å; L135-F180 HydrophobicContact CG-CE2 3.87Å; L135-A189 HydrophobicContact CD1-CB 4.2Å; L135-K190 HydrophobicContact CD1-CB 3.92Å; L135-K190 HydrophobicContact CD2-CB 3.95Å; L135-K190 HydrophobicContact CD2-CD 4.12Å; L135-K190 HydrophobicContact CD2-CG 4.28Å; L135-I207 HydrophobicContact CB-CG2 4.19Å; L135-I207 HydrophobicContact CD1-CG2 3.97Å; L135-I207 HydrophobicContact CD2-CG2 4.1Å; L135-I207 HydrophobicContact CG-CG2 4.33Å; L135-K208 WeakPolarHBondContact CA-O 3.46Å; L135-W209 HydrophobicContact CD2-CD2 3.95Å; L135-W209 HydrophobicContact CD2-CE3 3.35Å; L135-W209 HydrophobicContact CD2-CH2 4.14Å; L135-W209 HydrophobicContact CD2-CZ3 3.46Å; L135-W209 VanDerWaalsContact CD2-CZ3 3.46Å; L135-W209 HydrophobicContact CG-CE3 4.47Å; L135-W209 HydrophobicContact CG-CZ3 4.33Å
136C92.4Very high88.5Confident28 Ų2856.6 Ų56.619%0.18930%0.304CS..EExtended strand (participates in β ladder)trans-101.6120.8166.6-173.30000109.1A176 V177 I207 K208 E210C136-A176 CarbonylContact C-O 3.57Å; C136-A176 WeakPolarHBondContact CA-O 3.12Å; C136-V177 HydrophobicContact CB-CG2 4.49Å; C136-I207 WeakPolarHBondContact O-CA 3.47Å; C136-K208 PolarHBondContact N-O 2.86Å; C136-K208 PolarHBondContact O-N 3.45Å; C136-E210 WeakPolarHBondContact CB-OE2 3.45Å
137I92.8Very high88.3Confident0 Ų061.3 Ų61.30%033%0.326CS..EExtended strand (participates in β ladder)trans-101.2115.4174.2-52.5-176.9000107.9L140 L153 S175 A176 V178 L193 I205 S206 I207I137-L140 HydrophobicContact CB-CD1 4.38Å; I137-L140 HydrophobicContact CG2-CD1 4.09Å; I137-L140 HydrophobicContact CG2-CD2 4.03Å; I137-L140 HydrophobicContact CG2-CG 4.1Å; I137-L153 HydrophobicContact CD1-CD1 4.28Å; I137-L153 HydrophobicContact CD1-CD2 3.94Å; I137-S175 CarbonylContact O-C 3.57Å; I137-S175 WeakPolarHBondContact O-CA 3.17Å; I137-A176 PolarHBondContact N-O 3.32Å; I137-A176 PolarHBondContact O-N 2.63Å; I137-V178 HydrophobicContact CD1-CG2 3.69Å; I137-V178 HydrophobicContact CG1-CG2 4.14Å; I137-L193 HydrophobicContact CD1-CD1 4.25Å; I137-I205 HydrophobicContact CG2-CB 3.99Å; I137-I205 HydrophobicContact CG2-CD1 3.96Å; I137-I205 HydrophobicContact CG2-CG2 4.29Å; I137-S206 CarbonylContact C-O 3.52Å; I137-S206 VanDerWaalsContact CA-O 3.31Å; I137-S206 WeakPolarHBondContact CA-O 3.16Å; I137-I207 HydrophobicContact CG1-CG1 4.26Å; I137-I207 HydrophobicContact CG2-CG1 4.46Å
138G90.5Very high88.2Confident6 Ų662.1 Ų62.16%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-102.4174.7173.600000112.7S206G138-S206 PolarHBondContact N-O 3.45Å; G138-S206 PolarHBondContact O-N 3.3Å; G138-S206 VanDerWaalsContact O-N 3.11Å
139N87.5Confident88.2Confident91 Ų9156.8 Ų56.849%0.48732%0.317SS..EExtended strand (participates in β ladder)trans63.835.5-179.3-45.1-2.2000113.6E204 S206N139-E204 PolarHBondContact ND2-O 2.85Å; N139-E204 VanDerWaalsContact ND2-O 3.16Å; N139-S206 PolarHBondContact OD1-OG 3.33Å
140L88.2Confident88.5Confident4 Ų458.1 Ų58.12%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-87.9140.3173.5-60.8168.1000110.2I137 L149 V174 A176 L203 I205I137-L140 HydrophobicContact CB-CD1 4.38Å; I137-L140 HydrophobicContact CG2-CD1 4.09Å; I137-L140 HydrophobicContact CG2-CD2 4.03Å; I137-L140 HydrophobicContact CG2-CG 4.1Å; L140-L149 HydrophobicContact CD1-CD1 4.46Å; L140-L149 HydrophobicContact CD1-CD2 3.68Å; L140-L149 HydrophobicContact CD2-CD1 4.42Å; L140-V174 HydrophobicContact CB-CB 4.37Å; L140-V174 WeakPolarHBondContact CB-O 3.4Å; L140-V174 PolarHBondContact N-O 2.85Å; L140-V174 VanDerWaalsContact N-O 3.08Å; L140-V174 PolarHBondContact O-N 2.83Å; L140-A176 HydrophobicContact CD1-CB 3.66Å; L140-L203 HydrophobicContact CD2-CD2 4.28Å; L140-I205 HydrophobicContact CD2-CG2 3.84Å
141P86.2Confident89Confident63 Ų6357.4 Ų57.441%0.40931%0.31SS..  trans-54.3144.8175.8-27.234.2000113.1A143 T144 L203P141-A143 PolarHBondContact O-N 3.37Å; P141-A143 VanDerWaalsContact O-N 3.08Å; P141-T144 VanDerWaalsContact O-CB 3.27Å; P141-T144 WeakPolarHBondContact O-CB 3.41Å; P141-T144 PolarHBondContact O-N 2.84Å; P141-T144 PolarHBondContact O-OG1 2.9Å; P141-L203 HydrophobicContact CG-CD1 4.24Å; P141-L203 HydrophobicContact CG-CD2 4.4Å
142A82.9Confident89.7Confident83 Ų8357.4 Ų57.469%0.68631%0.313SS*.THydrogen-bonded Turntrans-59.5-23.9179.700000114.1T144A142-T144 VanDerWaalsContact C-N 3.32Å
143A84.3Confident90.1Very high90 Ų9051.7 Ų51.774%0.74429%0.288SS*.THydrogen-bonded Turntrans-80.5-4.8176.400000114.3P141 K145P141-A143 PolarHBondContact O-N 3.37Å; P141-A143 VanDerWaalsContact O-N 3.08Å; A143-K145 PolarHBondContact O-N 3.32Å
144T87.5Confident90.3Very high33 Ų3356.3 Ų56.320%0.20231%0.306CS..  trans-68.5115.6-177.2-61.50000111.6P141 A142 L149 L165P141-T144 VanDerWaalsContact O-CB 3.27Å; P141-T144 WeakPolarHBondContact O-CB 3.41Å; P141-T144 PolarHBondContact O-N 2.84Å; P141-T144 PolarHBondContact O-OG1 2.9Å; A142-T144 VanDerWaalsContact C-N 3.32Å; T144-L149 HydrophobicContact CG2-CB 3.9Å; T144-L149 HydrophobicContact CG2-CD2 4.31Å; T144-L149 HydrophobicContact CG2-CG 4.48Å; T144-L165 VanDerWaalsContact O-CD1 3.28Å; T144-L165 WeakPolarHBondContact O-CD1 3.49Å
145K89.9Confident90.4Very high141 Ų14161.9 Ų61.961%0.61332%0.324SS*.  trans-85.3152.3173.7-55.8178.5-175.5169.50111.4A143 E147 D148 L149A143-K145 PolarHBondContact O-N 3.32Å; K145-E147 PolarHBondContact O-N 3.17Å; K145-D148 HydrophobicContact CB-CB 4.42Å; K145-D148 WeakPolarHBondContact CB-OD2 3.26Å; K145-D148 PolarHBondContact O-N 3.14Å; K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.96Å
146Q91.4Very high90.3Very high86 Ų8663.6 Ų63.640%0.40233%0.333SS..Hα-helixtrans-60.8-44.8-176.5-172.8-179.1-78.600112.7K150 V163 L165Q146-K150 VanDerWaalsContact O-CB 3.27Å; Q146-K150 WeakPolarHBondContact O-CB 3.47Å; Q146-K150 PolarHBondContact O-N 3.13Å; Q146-V163 HydrophobicContact CG-CB 4.36Å; Q146-V163 HydrophobicContact CG-CG1 4.25Å; Q146-V163 WeakPolarHBondContact CG-O 3.2Å; Q146-V163 PolarHBondContact NE2-O 2.92Å; Q146-V163 PolarHBondContact OE1-O 2.92Å; Q146-L165 HydrophobicContact CB-CD1 4.02Å; Q146-L165 HydrophobicContact CB-CG 3.97Å; Q146-L165 HydrophobicContact CG-CG 4.36Å
147E92.4Very high90.2Very high99 Ų9963.2 Ų63.246%0.46333%0.33SS..Hα-helixtrans-74.6-36.8-175.5-157.861.8-154.800111.8K145 K150 Q151K145-E147 PolarHBondContact O-N 3.17Å; E147-K150 PolarHBondContact O-N 3.25Å; E147-K150 IonicContact OE1-NZ 2.69Å; E147-K150 PolarHBondContact OE1-NZ 3.24Å; E147-K150 WeakPolarHBondContact OE2-CD 3.4Å; E147-K150 IonicContact OE2-NZ 3.27Å; E147-K150 PolarHBondContact OE2-NZ 2.99Å; E147-Q151 WeakPolarHBondContact O-CB 3.48Å; E147-Q151 PolarHBondContact O-N 3.02Å
148D91.4Very high90.1Very high95 Ų9571 Ų7151%0.50837%0.366SS..Hα-helixtrans-60.4-48172.8-62-30000110.7K145 K150 Q151 V152K145-D148 HydrophobicContact CB-CB 4.42Å; K145-D148 WeakPolarHBondContact CB-OD2 3.26Å; K145-D148 PolarHBondContact O-N 3.14Å; D148-K150 PolarHBondContact O-N 3.43Å; D148-Q151 PolarHBondContact O-N 3.04Å; D148-V152 WeakPolarHBondContact O-CG2 3.5Å; D148-V152 PolarHBondContact O-N 2.75Å
149L91.3Very high89.9Confident7 Ų772 Ų724%0.03738%0.377CS..Hα-helixtrans-60.8-45.1176.5178.561.4000112L140 T144 K145 Q151 V152 L153 V163 L165 A176 F197L140-L149 HydrophobicContact CD1-CD1 4.46Å; L140-L149 HydrophobicContact CD1-CD2 3.68Å; L140-L149 HydrophobicContact CD2-CD1 4.42Å; T144-L149 HydrophobicContact CG2-CB 3.9Å; T144-L149 HydrophobicContact CG2-CD2 4.31Å; T144-L149 HydrophobicContact CG2-CG 4.48Å; K145-L149 WeakPolarHBondContact O-CB 3.48Å; K145-L149 PolarHBondContact O-N 2.96Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 2.99Å; L149-V152 PolarHBondContact O-N 3.43Å; L149-L153 HydrophobicContact CD1-CD1 4.06Å; L149-L153 HydrophobicContact CD1-CG 4.12Å; L149-L153 HydrophobicContact CG-CD1 3.87Å; L149-L153 HydrophobicContact CG-CG 4.37Å; L149-L153 WeakPolarHBondContact O-CB 3.22Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.11Å; L149-L153 PolarHBondContact O-N 2.83Å; L149-V163 HydrophobicContact CD2-CG1 3.89Å; L149-V163 HydrophobicContact CG-CG1 4.3Å; L149-L165 HydrophobicContact CD2-CD2 3.85Å; L149-A176 HydrophobicContact CD2-CB 3.46Å; L149-A176 VanDerWaalsContact CD2-CB 3.46Å; L149-F197 HydrophobicContact CD1-CZ 4.14Å
150K93.6Very high90.2Very high39 Ų3968.2 Ų68.217%0.1736%0.356CS..Hα-helixtrans-62-39.2176.9-179.7-174.7169.2-150.60112Q146 E147 D148 R154 V163Q146-K150 VanDerWaalsContact O-CB 3.27Å; Q146-K150 WeakPolarHBondContact O-CB 3.47Å; Q146-K150 PolarHBondContact O-N 3.13Å; E147-K150 PolarHBondContact O-N 3.25Å; E147-K150 IonicContact OE1-NZ 2.69Å; E147-K150 PolarHBondContact OE1-NZ 3.24Å; E147-K150 WeakPolarHBondContact OE2-CD 3.4Å; E147-K150 IonicContact OE2-NZ 3.27Å; E147-K150 PolarHBondContact OE2-NZ 2.99Å; D148-K150 PolarHBondContact O-N 3.43Å; K150-R154 WeakPolarHBondContact O-CB 3.4Å; K150-R154 VanDerWaalsContact O-CG 3.29Å; K150-R154 WeakPolarHBondContact O-CG 3.37Å; K150-R154 PolarHBondContact O-N 2.88Å; K150-V163 HydrophobicContact CB-CB 4.18Å; K150-V163 HydrophobicContact CB-CG2 3.79Å; K150-V163 HydrophobicContact CG-CG2 4.01Å
151Q92.5Very high90.2Very high86 Ų8672 Ų7240%0.40237%0.374SS..Hα-helixtrans-70.1-36.2176.2-177.456.184.200112.3E147 D148 L149 R155E147-Q151 WeakPolarHBondContact O-CB 3.48Å; E147-Q151 PolarHBondContact O-N 3.02Å; D148-Q151 PolarHBondContact O-N 3.04Å; L149-Q151 VanDerWaalsContact C-N 3.33Å; L149-Q151 PolarHBondContact O-N 2.99Å; Q151-R155 WeakPolarHBondContact O-CG 3.38Å
152V92.3Very high90.5Very high39 Ų3975.7 Ų75.724%0.23638%0.38CS..Hα-helixtrans-64.8-53.1171169.50000110.3D148 L149 R154 R155 L156 F197 F201D148-V152 WeakPolarHBondContact O-CG2 3.5Å; D148-V152 PolarHBondContact O-N 2.75Å; L149-V152 PolarHBondContact O-N 3.43Å; V152-R154 VanDerWaalsContact C-N 3.33Å; V152-R154 PolarHBondContact O-N 3.14Å; V152-R155 WeakPolarHBondContact O-CB 3.45Å; V152-R155 PolarHBondContact O-N 3.01Å; V152-L156 HydrophobicContact CG1-CD1 3.99Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 2.77Å; V152-F197 HydrophobicContact CG1-CE2 4.38Å; V152-F197 HydrophobicContact CG1-CZ 3.93Å; V152-F201 HydrophobicContact CG1-CE2 3.7Å; V152-F201 HydrophobicContact CG1-CZ 3.78Å; V152-F201 HydrophobicContact CG2-CZ 4.39Å
153L92.8Very high91Very high0 Ų072 Ų720%035%0.348CS..Hα-helixtrans-56.5-44.9-178-71.7169.1000112I137 L149 R155 L156 V157 V160 V163 V178 L193 F197I137-L153 HydrophobicContact CD1-CD1 4.28Å; I137-L153 HydrophobicContact CD1-CD2 3.94Å; L149-L153 HydrophobicContact CD1-CD1 4.06Å; L149-L153 HydrophobicContact CD1-CG 4.12Å; L149-L153 HydrophobicContact CG-CD1 3.87Å; L149-L153 HydrophobicContact CG-CG 4.37Å; L149-L153 WeakPolarHBondContact O-CB 3.22Å; L149-L153 VanDerWaalsContact O-CG 3.26Å; L149-L153 WeakPolarHBondContact O-CG 3.11Å; L149-L153 PolarHBondContact O-N 2.83Å; L153-R155 PolarHBondContact O-N 3.32Å; L153-R155 VanDerWaalsContact O-N 3.15Å; L153-L156 PolarHBondContact O-N 2.73Å; L153-V157 WeakPolarHBondContact O-CG2 3.1Å; L153-V157 PolarHBondContact O-N 3.28Å; L153-V160 HydrophobicContact CB-CG1 4.38Å; L153-V160 HydrophobicContact CB-CG2 4.15Å; L153-V163 HydrophobicContact CD1-CG2 3.95Å; L153-V178 HydrophobicContact CD1-CG1 4.16Å; L153-V178 HydrophobicContact CD1-CG2 3.64Å; L153-L193 HydrophobicContact CD2-CD1 3.83Å; L153-L193 HydrophobicContact CD2-CD2 3.68Å; L153-L193 HydrophobicContact CD2-CG 4.43Å; L153-F197 HydrophobicContact CD2-CE2 4Å; L153-F197 HydrophobicContact CD2-CZ 4.28Å
154R92.9Very high91.3Very high123 Ų12369.9 Ų69.946%0.46433%0.329SS..Hα-helixtrans-61.4-18.8175.6-76.8173.3169.7-176.3-7115.1K150 V152 V160K150-R154 WeakPolarHBondContact O-CB 3.4Å; K150-R154 VanDerWaalsContact O-CG 3.29Å; K150-R154 WeakPolarHBondContact O-CG 3.37Å; K150-R154 PolarHBondContact O-N 2.88Å; V152-R154 VanDerWaalsContact C-N 3.33Å; V152-R154 PolarHBondContact O-N 3.14Å; R154-V160 HydrophobicContact CG-CB 3.94Å; R154-V160 HydrophobicContact CG-CG1 4.29Å; R154-V160 PolarHBondContact NE-O 2.79Å
155R92.1Very high91.5Very high186 Ų18671 Ų7170%0.70233%0.333SS*.Hα-helixtrans-91.9-14.7174.6-68.5173-176.9-177.31113.1Q151 V152 L153Q151-R155 WeakPolarHBondContact O-CG 3.38Å; V152-R155 WeakPolarHBondContact O-CB 3.45Å; V152-R155 PolarHBondContact O-N 3.01Å; L153-R155 PolarHBondContact O-N 3.32Å; L153-R155 VanDerWaalsContact O-N 3.15Å
156L90.9Very high91.3Very high37 Ų3768.6 Ų68.619%0.19432%0.322CS..Hα-helixtrans-104.6-33.7-178.9-57.5-174.9000112.6V152 L153 L193 E196 F197 F201V152-L156 HydrophobicContact CG1-CD1 3.99Å; V152-L156 HydrophobicContact CG1-CG 4.39Å; V152-L156 WeakPolarHBondContact O-CG 3.41Å; V152-L156 PolarHBondContact O-N 2.77Å; L153-L156 PolarHBondContact O-N 2.73Å; L156-L193 HydrophobicContact CB-CD2 4.1Å; L156-L193 HydrophobicContact CD1-CD2 4.22Å; L156-E196 HydrophobicContact CB-CG 4.47Å; L156-E196 HydrophobicContact CD1-CG 4.06Å; L156-E196 HydrophobicContact CD2-CG 3.79Å; L156-E196 HydrophobicContact CG-CG 4.31Å; L156-F197 HydrophobicContact CD1-CD2 3.84Å; L156-F197 HydrophobicContact CD1-CE2 3.63Å; L156-F197 HydrophobicContact CD1-CZ 4.5Å; L156-F201 HydrophobicContact CD1-CE2 4.32Å
157V91.8Very high90.8Very high20 Ų2070.1 Ų70.112%0.12134%0.338CS..SBendtrans-142.7147.2-173.9-64.20000112.4L153 V160 F180 A189 L193L153-V157 WeakPolarHBondContact O-CG2 3.1Å; L153-V157 PolarHBondContact O-N 3.28Å; V157-V160 HydrophobicContact CG2-CG2 3.74Å; V157-F180 HydrophobicContact CG2-CE1 3.98Å; V157-F180 HydrophobicContact CG2-CZ 4.44Å; V157-A189 HydrophobicContact CB-CB 4.01Å; V157-A189 HydrophobicContact CG1-CB 3.92Å; V157-A189 HydrophobicContact CG2-CB 4.01Å; V157-L193 HydrophobicContact CB-CD2 4.5Å; V157-L193 HydrophobicContact CG1-CD2 3.65Å; V157-L193 HydrophobicContact CG1-CG 3.8Å; V157-L193 HydrophobicContact CG2-CD1 4.35Å; V157-L193 HydrophobicContact CG2-CD2 3.99Å; V157-L193 HydrophobicContact CG2-CG 4.37Å
158E89Confident89.4Confident163 Ų16367 Ų6776%0.76233%0.332SS*.SBendtrans-80.6158.7-179.9-64.7-179.5-176.200112.9V160 T185E158-V160 PolarHBondContact O-N 2.73Å; E158-T185 HydrophobicContact CB-CG2 4.46Å
159G87.4Confident87.5Confident28 Ų2869.3 Ų69.329%0.28935%0.352SS..  trans73.620.8169.900000116E161 F180 S181G159-E161 PolarHBondContact O-N 3.11Å; G159-F180 CarbonylContact O-C 3.53Å; G159-F180 WeakPolarHBondContact O-CA 3.43Å; G159-S181 WeakPolarHBondContact CA-OG 3.37Å; G159-S181 PolarHBondContact O-N 3.12Å
160V92.7Very high85.9Confident10 Ų1073.2 Ų73.26%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-76.9107.4176.6-179.40000111.2L153 R154 V157 E158 V163 V178 F180L153-V160 HydrophobicContact CB-CG1 4.38Å; L153-V160 HydrophobicContact CB-CG2 4.15Å; R154-V160 HydrophobicContact CG-CB 3.94Å; R154-V160 HydrophobicContact CG-CG1 4.29Å; R154-V160 PolarHBondContact NE-O 2.79Å; V157-V160 HydrophobicContact CG2-CG2 3.74Å; E158-V160 PolarHBondContact O-N 2.73Å; V160-V163 HydrophobicContact CG1-CG2 4.06Å; V160-V178 HydrophobicContact CG1-CG1 3.99Å; V160-F180 HydrophobicContact CG2-CD1 4.26Å; V160-F180 HydrophobicContact CG2-CE1 3.72Å; V160-F180 HydrophobicContact CG2-CZ 4.35Å
161E89.8Confident84.4Confident85 Ų8574.9 Ų74.940%0.39740%0.404SS..EExtended strand (participates in β ladder)trans-88.3-56.5-178.5-62.6-175.3149.900111.8R133 G159 A179 S181R133-E161 IonicContact NH1-OE2 3.44Å; R133-E161 PolarHBondContact NH1-OE2 2.64Å; G159-E161 PolarHBondContact O-N 3.11Å; E161-A179 PolarHBondContact N-O 2.85Å; E161-S181 VanDerWaalsContact OE1-CA 3.27Å; E161-S181 WeakPolarHBondContact OE1-CA 3.44Å; E161-S181 WeakPolarHBondContact OE1-CB 3.39Å
162R91Very high82.8Confident140 Ų14080.4 Ų80.453%0.52843%0.43SS..EExtended strand (participates in β ladder)trans-138.7143.3-171.1-176.6174.263.6-100.2-2.5110.6V178 A179R162-V178 WeakPolarHBondContact O-CA 3.5Å; R162-A179 HydrophobicContact CB-CB 4.17Å; R162-A179 PolarHBondContact N-O 3.35Å; R162-A179 PolarHBondContact O-N 2.68Å
163V94.3Very high81.9Confident4 Ų479.8 Ų79.82%0.02443%0.432CS..EExtended strand (participates in β ladder)trans-128.2130.8173179.50000106.8Q146 L149 K150 L153 V160 A176 V177 V178Q146-V163 HydrophobicContact CG-CB 4.36Å; Q146-V163 HydrophobicContact CG-CG1 4.25Å; Q146-V163 WeakPolarHBondContact CG-O 3.2Å; Q146-V163 PolarHBondContact NE2-O 2.92Å; Q146-V163 PolarHBondContact OE1-O 2.92Å; L149-V163 HydrophobicContact CD2-CG1 3.89Å; L149-V163 HydrophobicContact CG-CG1 4.3Å; K150-V163 HydrophobicContact CB-CB 4.18Å; K150-V163 HydrophobicContact CB-CG2 3.79Å; K150-V163 HydrophobicContact CG-CG2 4.01Å; L153-V163 HydrophobicContact CD1-CG2 3.95Å; V160-V163 HydrophobicContact CG1-CG2 4.06Å; V163-A176 HydrophobicContact CG1-CB 4.36Å; V163-V177 CarbonylContact C-O 3.6Å; V163-V177 WeakPolarHBondContact CA-O 3.5Å; V163-V178 HydrophobicContact CG2-CG1 4.22Å; V163-V178 HydrophobicContact CG2-CG2 4.31Å
164S91.3Very high81.4Confident47 Ų4780.2 Ų80.233%0.32943%0.434SS..EExtended strand (participates in β ladder)trans-126.5133.4170.554.30000110A176 V177S164-A176 CarbonylContact O-C 3.51Å; S164-A176 VanDerWaalsContact O-CA 3.3Å; S164-A176 WeakPolarHBondContact O-CA 3.37Å; S164-V177 PolarHBondContact N-O 3.22Å; S164-V177 PolarHBondContact O-N 3.35Å
165L91.2Very high81.2Confident56 Ų5675.1 Ų75.129%0.29342%0.417SS..EExtended strand (participates in β ladder)trans-84.1140.4175-58.6-176.3000110.4T144 Q146 L149 V174 A176T144-L165 VanDerWaalsContact O-CD1 3.28Å; T144-L165 WeakPolarHBondContact O-CD1 3.49Å; Q146-L165 HydrophobicContact CB-CD1 4.02Å; Q146-L165 HydrophobicContact CB-CG 3.97Å; Q146-L165 HydrophobicContact CG-CG 4.36Å; L149-L165 HydrophobicContact CD2-CD2 3.85Å; L165-V174 HydrophobicContact CB-CG1 4.08Å; L165-V174 HydrophobicContact CD1-CG1 4.25Å; L165-V174 HydrophobicContact CD2-CG1 3.89Å; L165-V174 HydrophobicContact CG-CG1 4.28Å; L165-A176 HydrophobicContact CD2-CB 3.73Å
166K86Confident81.2Confident90 Ų9066.2 Ų66.239%0.39138%0.384SS..EExtended strand (participates in β ladder)trans-119.7119.1172.4-69.2-175.4177.8176.10108.6S175 V177 E210K166-S175 PolarHBondContact N-O 3.47Å; K166-S175 PolarHBondContact O-N 2.99Å; K166-V177 HydrophobicContact CD-CG2 3.88Å; K166-E210 IonicContact NZ-OE1 2.59Å; K166-E210 PolarHBondContact NZ-OE1 3.47Å; K166-E210 IonicContact NZ-OE2 3.65Å
167T79.6Confident81.3Confident118 Ų11865.1 Ų65.172%0.72438%0.378SS*.  trans-105.8141164.743.80000108.2V174T167-V174 HydrophobicContact CG2-CG2 3.97Å
168G63.2Low81.5Confident33 Ų3364.1 Ų64.134%0.3437%0.373SS..  trans-155.8153.1-17700000112.4G170 I171G168-G170 PolarHBondContact O-N 2.84Å; G168-I171 PolarHBondContact O-N 2.93Å
169P51.8Low81.6Confident144 Ų14456.5 Ų56.594%0.93534%0.338SS*.THydrogen-bonded Turntrans-62.3129.517826.8-33.8000110.2
170G58.6Low81.8Confident89 Ų8955.2 Ų55.292%0.91832%0.324SS*.THydrogen-bonded Turntrans89.37.7-176.900000115.7G168G168-G170 PolarHBondContact O-N 2.84Å
171I60.4Low81.4Confident75 Ų7557.3 Ų57.339%0.38534%0.339SS..  trans-103.8114.5169.9-55.5177.2000108.9G168 G173G168-I171 PolarHBondContact O-N 2.93Å; I171-G173 PolarHBondContact O-N 2.81Å
172E60.3Low80.9Confident202 Ų20254.4 Ų54.494%0.94433%0.328SS*.SBendtrans-73.492165.8-69.9-168.8159.100109.5
173G72.3Confident80.5Confident26 Ų2650.5 Ų50.527%0.26832%0.316SS..SBendtrans115.2-146.7179.600000113.3I171I171-G173 PolarHBondContact O-N 2.81Å
174V83.3Confident79.9Confident9 Ų955.8 Ų55.86%0.05534%0.34CS..EExtended strand (participates in β ladder)trans-120.8146.8-1771720000109.6L140 L165 T167L140-V174 HydrophobicContact CB-CB 4.37Å; L140-V174 WeakPolarHBondContact CB-O 3.4Å; L140-V174 PolarHBondContact N-O 2.85Å; L140-V174 VanDerWaalsContact N-O 3.08Å; L140-V174 PolarHBondContact O-N 2.83Å; L165-V174 HydrophobicContact CB-CG1 4.08Å; L165-V174 HydrophobicContact CD1-CG1 4.25Å; L165-V174 HydrophobicContact CD2-CG1 3.89Å; L165-V174 HydrophobicContact CG-CG1 4.28Å; T167-V174 HydrophobicContact CG2-CG2 3.97Å
175S89.4Confident79.7Confident15 Ų1554.5 Ų54.511%0.10533%0.33CS..EExtended strand (participates in β ladder)trans-114.2156.4163.4-64.50000109.7I137 K166I137-S175 CarbonylContact O-C 3.57Å; I137-S175 WeakPolarHBondContact O-CA 3.17Å; K166-S175 PolarHBondContact N-O 3.47Å; K166-S175 PolarHBondContact O-N 2.99Å
176A91.7Very high79.7Confident0 Ų051.9 Ų51.90%032%0.316CS..EExtended strand (participates in β ladder)trans-132.4133.4179.600000110.9C136 I137 L140 L149 V163 S164 L165C136-A176 CarbonylContact C-O 3.57Å; C136-A176 WeakPolarHBondContact CA-O 3.12Å; I137-A176 PolarHBondContact N-O 3.32Å; I137-A176 PolarHBondContact O-N 2.63Å; L140-A176 HydrophobicContact CD1-CB 3.66Å; L149-A176 HydrophobicContact CD2-CB 3.46Å; L149-A176 VanDerWaalsContact CD2-CB 3.46Å; V163-A176 HydrophobicContact CG1-CB 4.36Å; S164-A176 CarbonylContact O-C 3.51Å; S164-A176 VanDerWaalsContact O-CA 3.3Å; S164-A176 WeakPolarHBondContact O-CA 3.37Å; L165-A176 HydrophobicContact CD2-CB 3.73Å
177V93.2Very high79.8Confident13 Ų1348.9 Ų48.98%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-94.9125.8166.5178.10000109H134 L135 C136 V163 S164 K166 E210H134-V177 HydrophobicContact CB-CG1 4.3Å; L135-V177 CarbonylContact O-C 3.55Å; L135-V177 VanDerWaalsContact O-CA 3.31Å; L135-V177 WeakPolarHBondContact O-CA 3.04Å; C136-V177 HydrophobicContact CB-CG2 4.49Å; V163-V177 CarbonylContact C-O 3.6Å; V163-V177 WeakPolarHBondContact CA-O 3.5Å; S164-V177 PolarHBondContact N-O 3.22Å; S164-V177 PolarHBondContact O-N 3.35Å; K166-V177 HydrophobicContact CD-CG2 3.88Å; V177-E210 HydrophobicContact CG1-CG 4.47Å
178V94.4Very high80.2Confident0 Ų045.8 Ų45.80%029%0.285CS..EExtended strand (participates in β ladder)trans-113.8120.7-179.1-173.60000108.3H134 L135 I137 L153 V160 R162 V163 F180H134-V178 WeakPolarHBondContact CA-O 3.44Å; L135-V178 PolarHBondContact N-O 3.2Å; L135-V178 PolarHBondContact O-N 2.8Å; I137-V178 HydrophobicContact CD1-CG2 3.69Å; I137-V178 HydrophobicContact CG1-CG2 4.14Å; L153-V178 HydrophobicContact CD1-CG1 4.16Å; L153-V178 HydrophobicContact CD1-CG2 3.64Å; V160-V178 HydrophobicContact CG1-CG1 3.99Å; R162-V178 WeakPolarHBondContact O-CA 3.5Å; V163-V178 HydrophobicContact CG2-CG1 4.22Å; V163-V178 HydrophobicContact CG2-CG2 4.31Å; V178-F180 HydrophobicContact CB-CE2 3.79Å; V178-F180 HydrophobicContact CB-CZ 4.32Å; V178-F180 HydrophobicContact CG1-CD2 4.08Å; V178-F180 HydrophobicContact CG1-CE1 4.4Å; V178-F180 HydrophobicContact CG1-CE2 3.4Å; V178-F180 HydrophobicContact CG1-CZ 3.59Å
179A91.8Very high81.6Confident3 Ų344.3 Ų44.33%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-96133.117300000110.6E161 R162E161-A179 PolarHBondContact N-O 2.85Å; R162-A179 HydrophobicContact CB-CB 4.17Å; R162-A179 PolarHBondContact N-O 3.35Å; R162-A179 PolarHBondContact O-N 2.68Å
180F90.8Very high83.5Confident0 Ų040.6 Ų40.60%024%0.238CC..EExtended strand (participates in β ladder)trans-112.3154.7-179.5-67.7-96.2000112.1R133 L135 V157 G159 V160 V178 S182 A186 A189R133-F180 WeakPolarHBondContact CB-O 3.48Å; R133-F180 WeakPolarHBondContact CD-O 3.3Å; R133-F180 PolarHBondContact NH1-O 3.44Å; R133-F180 WeakPolarHBondContact O-CD2 3.34Å; R133-F180 PolarHBondContact O-N 3.43Å; L135-F180 HydrophobicContact CB-CE2 4.16Å; L135-F180 HydrophobicContact CD1-CD2 4.43Å; L135-F180 HydrophobicContact CD1-CE2 3.59Å; L135-F180 HydrophobicContact CD1-CZ 4.01Å; L135-F180 HydrophobicContact CG-CD2 4.4Å; L135-F180 HydrophobicContact CG-CE2 3.87Å; V157-F180 HydrophobicContact CG2-CE1 3.98Å; V157-F180 HydrophobicContact CG2-CZ 4.44Å; G159-F180 CarbonylContact O-C 3.53Å; G159-F180 WeakPolarHBondContact O-CA 3.43Å; V160-F180 HydrophobicContact CG2-CD1 4.26Å; V160-F180 HydrophobicContact CG2-CE1 3.72Å; V160-F180 HydrophobicContact CG2-CZ 4.35Å; V178-F180 HydrophobicContact CB-CE2 3.79Å; V178-F180 HydrophobicContact CB-CZ 4.32Å; V178-F180 HydrophobicContact CG1-CD2 4.08Å; V178-F180 HydrophobicContact CG1-CE1 4.4Å; V178-F180 HydrophobicContact CG1-CE2 3.4Å; V178-F180 HydrophobicContact CG1-CZ 3.59Å; F180-S182 PolarHBondContact O-N 2.66Å; F180-A186 HydrophobicContact CB-CB 3.91Å; F180-A186 HydrophobicContact CD2-CB 3.78Å; F180-A186 HydrophobicContact CG-CB 3.89Å; F180-A189 HydrophobicContact CD1-CB 4.29Å; F180-A189 HydrophobicContact CE1-CB 3.35Å; F180-A189 HydrophobicContact CE2-CB 4.3Å; F180-A189 HydrophobicContact CZ-CB 3.37Å
181S84.6Confident85Confident55 Ų5542.3 Ų42.339%0.38522%0.221SC..SBendtrans-63.4-20.3177.359.70000114.7G159 E161 T185G159-S181 WeakPolarHBondContact CA-OG 3.37Å; G159-S181 PolarHBondContact O-N 3.12Å; E161-S181 VanDerWaalsContact OE1-CA 3.27Å; E161-S181 WeakPolarHBondContact OE1-CA 3.44Å; E161-S181 WeakPolarHBondContact OE1-CB 3.39Å; S181-T185 PolarHBondContact OG-OG1 3.19Å
182S79.3Confident86.4Confident24 Ų2442 Ų4217%0.16822%0.22CC..SBendtrans-155.3160.6179.173.10000112.4F180 H184 T185 A186F180-S182 PolarHBondContact O-N 2.66Å; S182-H184 PolarHBondContact O-N 3.02Å; S182-H184 PolarHBondContact OG-N 2.91Å; S182-T185 PolarHBondContact N-OG1 3.32Å; S182-T185 VanDerWaalsContact N-OG1 3.16Å; S182-T185 PolarHBondContact O-N 3.15Å; S182-T185 PolarHBondContact O-OG1 2.87Å; S182-T185 VanDerWaalsContact O-OG1 3.13Å; S182-T185 PolarHBondContact OG-N 3.31Å; S182-T185 PolarHBondContact OG-OG1 3.07Å; S182-A186 PolarHBondContact O-N 2.78Å; S182-A186 VanDerWaalsContact O-N 3.1Å
183H83.4Confident87.9Confident57 Ų5732.4 Ų32.426%0.26418%0.175SC..Hα-helixtrans-59.1-30.7169.5178.9-99.5000112.5E131 K132 S187E131-H183 HydrophobicContact CB-CB 4.3Å; K132-H183 PolarHBondContact O-CD2 3.3Å; H183-S187 PolarHBondContact CE1-OG 3.43Å; H183-S187 VanDerWaalsContact O-CB 3.28Å; H183-S187 WeakPolarHBondContact O-CB 3.15Å; H183-S187 PolarHBondContact O-N 2.93Å; H183-S187 PolarHBondContact O-OG 3.41Å
184H81.1Confident88.8Confident115 Ų11534.1 Ų34.153%0.53218%0.18SC..Hα-helixtrans-68.9-51.7179.3178.468000111.9S182 A186 S187 M188S182-H184 PolarHBondContact O-N 3.02Å; S182-H184 PolarHBondContact OG-N 2.91Å; H184-A186 VanDerWaalsContact C-N 3.32Å; H184-A186 PolarHBondContact O-N 3.02Å; H184-S187 WeakPolarHBondContact O-CB 3.47Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 VanDerWaalsContact O-N 3.08Å; H184-M188 PolarHBondContact O-N 3.42Å
185T87.4Confident89Confident21 Ų2136.9 Ų36.913%0.12920%0.204CC..Hα-helixtrans-61.2-40.7177.343.80000111.2E158 S181 S182 S187 M188 A189E158-T185 HydrophobicContact CB-CG2 4.46Å; S181-T185 PolarHBondContact OG-OG1 3.19Å; S182-T185 PolarHBondContact N-OG1 3.32Å; S182-T185 VanDerWaalsContact N-OG1 3.16Å; S182-T185 PolarHBondContact O-N 3.15Å; S182-T185 PolarHBondContact O-OG1 2.87Å; S182-T185 VanDerWaalsContact O-OG1 3.13Å; S182-T185 PolarHBondContact OG-N 3.31Å; S182-T185 PolarHBondContact OG-OG1 3.07Å; T185-S187 PolarHBondContact O-N 3.07Å; T185-M188 PolarHBondContact O-N 3.32Å; T185-A189 VanDerWaalsContact O-CB 3.24Å; T185-A189 WeakPolarHBondContact O-CB 3.12Å; T185-A189 PolarHBondContact O-N 2.69Å
186A90.3Very high89.1Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-61-42.4171.100000113.2F180 S182 H184 A189 K190 W209F180-A186 HydrophobicContact CB-CB 3.91Å; F180-A186 HydrophobicContact CD2-CB 3.78Å; F180-A186 HydrophobicContact CG-CB 3.89Å; S182-A186 PolarHBondContact O-N 2.78Å; S182-A186 VanDerWaalsContact O-N 3.1Å; H184-A186 VanDerWaalsContact C-N 3.32Å; H184-A186 PolarHBondContact O-N 3.02Å; A186-A189 PolarHBondContact O-N 2.73Å; A186-K190 WeakPolarHBondContact O-CB 3.43Å; A186-K190 PolarHBondContact O-N 3.05Å; A186-W209 HydrophobicContact CB-CH2 4.08Å; A186-W209 HydrophobicContact CB-CZ3 3.8Å
187S88.3Confident89Confident28 Ų2838.4 Ų38.420%0.19621%0.209CC..Hα-helixtrans-66.4-40.2-179.6-65.40000112.5H183 H184 T185 K191H183-S187 PolarHBondContact CE1-OG 3.43Å; H183-S187 VanDerWaalsContact O-CB 3.28Å; H183-S187 WeakPolarHBondContact O-CB 3.15Å; H183-S187 PolarHBondContact O-N 2.93Å; H183-S187 PolarHBondContact O-OG 3.41Å; H184-S187 WeakPolarHBondContact O-CB 3.47Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 VanDerWaalsContact O-N 3.08Å; T185-S187 PolarHBondContact O-N 3.07Å; S187-K191 PolarHBondContact O-N 3.3Å
188M87.8Confident88.9Confident53 Ų5343.4 Ų43.426%0.26123%0.23SC..Hα-helixtrans-69.1-46.6175.1-65.1-57.992.600110.5H184 T185 K190 K191 D192H184-M188 PolarHBondContact O-N 3.42Å; T185-M188 PolarHBondContact O-N 3.32Å; M188-K190 VanDerWaalsContact C-N 3.29Å; M188-K190 PolarHBondContact O-N 3.47Å; M188-K191 WeakPolarHBondContact O-CA 3.45Å; M188-K191 WeakPolarHBondContact O-CB 3.24Å; M188-K191 PolarHBondContact O-N 2.92Å; M188-D192 PolarHBondContact O-N 3.4Å; M188-D192 VanDerWaalsContact O-OD2 3.1Å
189A92.6Very high88.7Confident1 Ų151.1 Ų51.11%0.00826%0.263CS..Hα-helixtrans-56.3-42176.500000112.7L135 V157 F180 T185 A186 K191 D192 L193L135-A189 HydrophobicContact CD1-CB 4.2Å; V157-A189 HydrophobicContact CB-CB 4.01Å; V157-A189 HydrophobicContact CG1-CB 3.92Å; V157-A189 HydrophobicContact CG2-CB 4.01Å; F180-A189 HydrophobicContact CD1-CB 4.29Å; F180-A189 HydrophobicContact CE1-CB 3.35Å; F180-A189 HydrophobicContact CE2-CB 4.3Å; F180-A189 HydrophobicContact CZ-CB 3.37Å; T185-A189 VanDerWaalsContact O-CB 3.24Å; T185-A189 WeakPolarHBondContact O-CB 3.12Å; T185-A189 PolarHBondContact O-N 2.69Å; A186-A189 PolarHBondContact O-N 2.73Å; A189-K191 VanDerWaalsContact C-N 3.28Å; A189-K191 PolarHBondContact O-N 3.34Å; A189-D192 PolarHBondContact O-N 2.89Å; A189-L193 HydrophobicContact CB-CD1 3.93Å; A189-L193 HydrophobicContact CB-CG 4.31Å; A189-L193 WeakPolarHBondContact O-CB 3.35Å; A189-L193 WeakPolarHBondContact O-CD1 3.4Å; A189-L193 WeakPolarHBondContact O-CG 3.45Å; A189-L193 PolarHBondContact O-N 3.01Å
190K92Very high88.6Confident66 Ų6658.2 Ų58.229%0.28729%0.29SS..Hα-helixtrans-59.4-37.6174.6-176.2176.3-178.2-170.80113.3L135 A186 M188 I207 W209L135-K190 HydrophobicContact CD1-CB 3.92Å; L135-K190 HydrophobicContact CD2-CB 3.95Å; L135-K190 HydrophobicContact CD2-CD 4.12Å; L135-K190 HydrophobicContact CD2-CG 4.28Å; A186-K190 WeakPolarHBondContact O-CB 3.43Å; A186-K190 PolarHBondContact O-N 3.05Å; M188-K190 VanDerWaalsContact C-N 3.29Å; M188-K190 PolarHBondContact O-N 3.47Å; K190-I207 HydrophobicContact CB-CG2 4.33Å; K190-I207 HydrophobicContact CG-CG2 3.89Å; K190-W209 HydrophobicContact CD-CD2 4.29Å; K190-W209 HydrophobicContact CD-CZ2 4Å; K190-W209 VanDerWaalsContact NZ-CD1 3.31Å
191K89.9Confident88.4Confident126 Ų12663.2 Ų63.255%0.54831%0.312SS..Hα-helixtrans-75.1-40.2-178.4-171.6-151.975.4-153.30111.3S187 M188 A189S187-K191 PolarHBondContact O-N 3.3Å; M188-K191 WeakPolarHBondContact O-CA 3.45Å; M188-K191 WeakPolarHBondContact O-CB 3.24Å; M188-K191 PolarHBondContact O-N 2.92Å; A189-K191 VanDerWaalsContact C-N 3.28Å; A189-K191 PolarHBondContact O-N 3.34Å
192D90.3Very high88.6Confident68 Ų6866 Ų6636%0.36433%0.33SS..Hα-helixtrans-93.8-36.5-169.8-64.1-48.5000113.7M188 A189 V194 A195 E196M188-D192 PolarHBondContact O-N 3.4Å; M188-D192 VanDerWaalsContact O-OD2 3.1Å; A189-D192 PolarHBondContact O-N 2.89Å; D192-V194 PolarHBondContact O-N 3.29Å; D192-A195 PolarHBondContact O-N 3.45Å; D192-E196 WeakPolarHBondContact O-CB 3.28Å; D192-E196 PolarHBondContact O-N 3.48Å
193L92.3Very high88.9Confident0 Ų067 Ų670%033%0.334CS..Hα-helixtrans-61.5-37.6-172.9-75.7173.1000114.3I137 L153 L156 V157 A189 A195 E196 F197 I205 I207I137-L193 HydrophobicContact CD1-CD1 4.25Å; L153-L193 HydrophobicContact CD2-CD1 3.83Å; L153-L193 HydrophobicContact CD2-CD2 3.68Å; L153-L193 HydrophobicContact CD2-CG 4.43Å; L156-L193 HydrophobicContact CB-CD2 4.1Å; L156-L193 HydrophobicContact CD1-CD2 4.22Å; V157-L193 HydrophobicContact CB-CD2 4.5Å; V157-L193 HydrophobicContact CG1-CD2 3.65Å; V157-L193 HydrophobicContact CG1-CG 3.8Å; V157-L193 HydrophobicContact CG2-CD1 4.35Å; V157-L193 HydrophobicContact CG2-CD2 3.99Å; V157-L193 HydrophobicContact CG2-CG 4.37Å; A189-L193 HydrophobicContact CB-CD1 3.93Å; A189-L193 HydrophobicContact CB-CG 4.31Å; A189-L193 WeakPolarHBondContact O-CB 3.35Å; A189-L193 WeakPolarHBondContact O-CD1 3.4Å; A189-L193 WeakPolarHBondContact O-CG 3.45Å; A189-L193 PolarHBondContact O-N 3.01Å; L193-A195 VanDerWaalsContact C-N 3.35Å; L193-A195 PolarHBondContact O-N 2.91Å; L193-E196 PolarHBondContact O-N 2.94Å; L193-F197 HydrophobicContact CD2-CD2 4.2Å; L193-F197 HydrophobicContact CD2-CE2 3.95Å; L193-F197 WeakPolarHBondContact O-CB 3.49Å; L193-F197 WeakPolarHBondContact O-CD2 3.47Å; L193-F197 PolarHBondContact O-N 3.13Å; L193-I205 HydrophobicContact CB-CD1 4.32Å; L193-I207 HydrophobicContact CB-CD1 3.36Å; L193-I207 HydrophobicContact CD1-CD1 4.01Å; L193-I207 HydrophobicContact CG-CD1 4.34Å
194V90.5Very high89.1Confident63 Ų6370.1 Ų70.138%0.38235%0.349SS..Hα-helixtrans-61.6-45.5-178.7-178.40000110.7D192 K198 I207D192-V194 PolarHBondContact O-N 3.29Å; V194-K198 PolarHBondContact O-N 3Å; V194-I207 HydrophobicContact CG2-CB 4.21Å; V194-I207 HydrophobicContact CG2-CD1 3.71Å; V194-I207 HydrophobicContact CG2-CG1 3.9Å
195A88.9Confident89.6Confident66 Ų6665 Ų6555%0.54533%0.325SS..Hα-helixtrans-69.2-41.8177.900000111.4D192 L193 K198 K199D192-A195 PolarHBondContact O-N 3.45Å; L193-A195 VanDerWaalsContact C-N 3.35Å; L193-A195 PolarHBondContact O-N 2.91Å; A195-K198 PolarHBondContact O-N 3.25Å; A195-K199 VanDerWaalsContact O-CB 3.26Å; A195-K199 WeakPolarHBondContact O-CB 3.29Å; A195-K199 PolarHBondContact O-N 3.47Å
196E90.7Very high89.7Confident39 Ų3966 Ų6618%0.18233%0.333CS..Hα-helixtrans-72.1-35-175-164.265.8179.400112.8L156 D192 L193 K199 R200L156-E196 HydrophobicContact CB-CG 4.47Å; L156-E196 HydrophobicContact CD1-CG 4.06Å; L156-E196 HydrophobicContact CD2-CG 3.79Å; L156-E196 HydrophobicContact CG-CG 4.31Å; D192-E196 WeakPolarHBondContact O-CB 3.28Å; D192-E196 PolarHBondContact O-N 3.48Å; L193-E196 PolarHBondContact O-N 2.94Å; E196-K199 PolarHBondContact O-N 3.43Å; E196-R200 WeakPolarHBondContact O-CB 3.4Å; E196-R200 PolarHBondContact O-N 2.67Å; E196-R200 IonicContact OE1-CZ 3.26Å; E196-R200 IonicContact OE1-NE 3.74Å; E196-R200 PolarHBondContact OE1-NE 2.84Å; E196-R200 IonicContact OE1-NH2 3.65Å; E196-R200 PolarHBondContact OE1-NH2 3.12Å
197F89.9Confident89.9Confident9 Ų966.9 Ų66.94%0.03934%0.337CS..Hα-helixtrans-67.2-43.2172.2-94.5-104.1000112.3L149 V152 L153 L156 L193 K199 F201 S202 L203 I205L149-F197 HydrophobicContact CD1-CZ 4.14Å; V152-F197 HydrophobicContact CG1-CE2 4.38Å; V152-F197 HydrophobicContact CG1-CZ 3.93Å; L153-F197 HydrophobicContact CD2-CE2 4Å; L153-F197 HydrophobicContact CD2-CZ 4.28Å; L156-F197 HydrophobicContact CD1-CD2 3.84Å; L156-F197 HydrophobicContact CD1-CE2 3.63Å; L156-F197 HydrophobicContact CD1-CZ 4.5Å; L193-F197 HydrophobicContact CD2-CD2 4.2Å; L193-F197 HydrophobicContact CD2-CE2 3.95Å; L193-F197 WeakPolarHBondContact O-CB 3.49Å; L193-F197 WeakPolarHBondContact O-CD2 3.47Å; L193-F197 PolarHBondContact O-N 3.13Å; F197-K199 VanDerWaalsContact C-N 3.3Å; F197-K199 PolarHBondContact O-N 3.35Å; F197-F201 AromaticContact CD1-CD2 3.89Å; F197-F201 HydrophobicContact CD1-CD2 3.89Å; F197-F201 HydrophobicContact CD1-CE2 4.48Å; F197-F201 HydrophobicContact CE1-CD2 4.23Å; F197-F201 HydrophobicContact CE1-CE2 4.49Å; F197-F201 HydrophobicContact CG-CD2 4.23Å; F197-F201 PolarHBondContact O-N 2.89Å; F197-S202 PolarHBondContact O-N 2.92Å; F197-L203 CarbonylContact C-O 3.55Å; F197-L203 HydrophobicContact CD1-CD2 4.1Å; F197-L203 HydrophobicContact CE1-CD2 4.49Å; F197-L203 PolarHBondContact O-N 2.85Å; F197-I205 HydrophobicContact CB-CD1 3.78Å; F197-I205 HydrophobicContact CB-CG1 3.88Å; F197-I205 HydrophobicContact CB-CG2 4.35Å; F197-I205 HydrophobicContact CD1-CD1 4.12Å; F197-I205 HydrophobicContact CD1-CG2 3.81Å; F197-I205 HydrophobicContact CD2-CD1 3.6Å; F197-I205 HydrophobicContact CE1-CG2 4.38Å; F197-I205 HydrophobicContact CE2-CD1 4.18Å; F197-I205 HydrophobicContact CG-CD1 3.56Å; F197-I205 HydrophobicContact CG-CG1 4.13Å; F197-I205 HydrophobicContact CG-CG2 4.21Å
198K90.4Very high90Very high118 Ų11872.4 Ų72.451%0.51336%0.358SS..Hα-helixtrans-61.3-39.6173.7-178.6164.9-178.5162.80111.5V194 A195 S202 L203 E204V194-K198 PolarHBondContact O-N 3Å; A195-K198 PolarHBondContact O-N 3.25Å; K198-S202 WeakPolarHBondContact O-CA 3.48Å; K198-S202 PolarHBondContact O-N 2.95Å; K198-L203 PolarHBondContact N-O 3.05Å; K198-E204 HydrophobicContact CD-CG 4.38Å; K198-E204 VanDerWaalsContact CE-OE1 3.3Å; K198-E204 WeakPolarHBondContact CE-OE1 3.49Å; K198-E204 IonicContact NZ-OE1 3.32Å; K198-E204 PolarHBondContact NZ-OE1 3.08Å
199K91.1Very high90.2Very high162 Ų16273.2 Ų73.270%0.70436%0.358SS*.Hα-helixtrans-71.9-41.9-179.7-177.8-177.9173.3-169.70114A195 E196 F197A195-K199 VanDerWaalsContact O-CB 3.26Å; A195-K199 WeakPolarHBondContact O-CB 3.29Å; A195-K199 PolarHBondContact O-N 3.47Å; E196-K199 PolarHBondContact O-N 3.43Å; F197-K199 VanDerWaalsContact C-N 3.3Å; F197-K199 PolarHBondContact O-N 3.35Å
200R88.8Confident89.9Confident152 Ų15275.5 Ų75.557%0.57437%0.369SS*.Hα-helixtrans-93.9-29.7-173.9-65.9-155.2-166.2-151.67.1115.1E196E196-R200 WeakPolarHBondContact O-CB 3.4Å; E196-R200 PolarHBondContact O-N 2.67Å; E196-R200 IonicContact OE1-CZ 3.26Å; E196-R200 IonicContact OE1-NE 3.74Å; E196-R200 PolarHBondContact OE1-NE 2.84Å; E196-R200 IonicContact OE1-NH2 3.65Å; E196-R200 PolarHBondContact OE1-NH2 3.12Å
201F87.1Confident89.1Confident105 Ų10577.6 Ų77.646%0.46139%0.389SS..Hα-helixtrans-1241.9-171.6-53.4-68000113.1V152 L156 F197 L203V152-F201 HydrophobicContact CG1-CE2 3.7Å; V152-F201 HydrophobicContact CG1-CZ 3.78Å; V152-F201 HydrophobicContact CG2-CZ 4.39Å; L156-F201 HydrophobicContact CD1-CE2 4.32Å; F197-F201 AromaticContact CD1-CD2 3.89Å; F197-F201 HydrophobicContact CD1-CD2 3.89Å; F197-F201 HydrophobicContact CD1-CE2 4.48Å; F197-F201 HydrophobicContact CE1-CD2 4.23Å; F197-F201 HydrophobicContact CE1-CE2 4.49Å; F197-F201 HydrophobicContact CG-CD2 4.23Å; F197-F201 PolarHBondContact O-N 2.89Å; F201-L203 HydrophobicContact CB-CB 4.17Å; F201-L203 PolarHBondContact O-N 3.43Å; F201-L203 VanDerWaalsContact O-N 3.12Å
202S87.9Confident87.7Confident112 Ų11274.4 Ų74.478%0.78339%0.392SS*.  trans52.927.9-172.1-56.80000113.3F197 K198F197-S202 PolarHBondContact O-N 2.92Å; K198-S202 WeakPolarHBondContact O-CA 3.48Å; K198-S202 PolarHBondContact O-N 2.95Å
203L86.6Confident85.6Confident45 Ų4580.5 Ų80.524%0.23642%0.418CS..  trans-108.2122.3-173.2-17369.7000111.2L140 P141 F197 K198 F201 I205L140-L203 HydrophobicContact CD2-CD2 4.28Å; P141-L203 HydrophobicContact CG-CD1 4.24Å; P141-L203 HydrophobicContact CG-CD2 4.4Å; F197-L203 CarbonylContact C-O 3.55Å; F197-L203 HydrophobicContact CD1-CD2 4.1Å; F197-L203 HydrophobicContact CE1-CD2 4.49Å; F197-L203 PolarHBondContact O-N 2.85Å; K198-L203 PolarHBondContact N-O 3.05Å; F201-L203 HydrophobicContact CB-CB 4.17Å; F201-L203 PolarHBondContact O-N 3.43Å; F201-L203 VanDerWaalsContact O-N 3.12Å; L203-I205 HydrophobicContact CD2-CG2 3.69Å; L203-I205 HydrophobicContact CG-CG2 3.91Å; L203-I205 PolarHBondContact O-N 2.75Å
204E87.8Confident83Confident124 Ų12487.8 Ų87.858%0.57946%0.457SS*.  trans-89.481.5177.2-61.1-154.7147.100112N139 K198N139-E204 PolarHBondContact ND2-O 2.85Å; N139-E204 VanDerWaalsContact ND2-O 3.16Å; K198-E204 HydrophobicContact CD-CG 4.38Å; K198-E204 VanDerWaalsContact CE-OE1 3.3Å; K198-E204 WeakPolarHBondContact CE-OE1 3.49Å; K198-E204 IonicContact NZ-OE1 3.32Å; K198-E204 PolarHBondContact NZ-OE1 3.08Å
205I91.3Very high80.5Confident8 Ų889.5 Ų89.54%0.04147%0.469CS..  trans-73.7148.9174.163.7168.7000112I137 L140 L193 F197 L203 I207I137-I205 HydrophobicContact CG2-CB 3.99Å; I137-I205 HydrophobicContact CG2-CD1 3.96Å; I137-I205 HydrophobicContact CG2-CG2 4.29Å; L140-I205 HydrophobicContact CD2-CG2 3.84Å; L193-I205 HydrophobicContact CB-CD1 4.32Å; F197-I205 HydrophobicContact CB-CD1 3.78Å; F197-I205 HydrophobicContact CB-CG1 3.88Å; F197-I205 HydrophobicContact CB-CG2 4.35Å; F197-I205 HydrophobicContact CD1-CD1 4.12Å; F197-I205 HydrophobicContact CD1-CG2 3.81Å; F197-I205 HydrophobicContact CD2-CD1 3.6Å; F197-I205 HydrophobicContact CE1-CG2 4.38Å; F197-I205 HydrophobicContact CE2-CD1 4.18Å; F197-I205 HydrophobicContact CG-CD1 3.56Å; F197-I205 HydrophobicContact CG-CG1 4.13Å; F197-I205 HydrophobicContact CG-CG2 4.21Å; L203-I205 HydrophobicContact CD2-CG2 3.69Å; L203-I205 HydrophobicContact CG-CG2 3.91Å; L203-I205 PolarHBondContact O-N 2.75Å; I205-I207 HydrophobicContact CD1-CD1 3.65Å; I205-I207 HydrophobicContact CD1-CG1 4.02Å; I205-I207 HydrophobicContact CG1-CD1 4.39Å; I205-I207 HydrophobicContact CG1-CG1 4.4Å
206S90Very high77.8Confident40 Ų4090.2 Ų90.228%0.2847%0.47SS..EExtended strand (participates in β ladder)trans-104.4136.3169.663.50000110.4I137 G138 N139I137-S206 CarbonylContact C-O 3.52Å; I137-S206 VanDerWaalsContact CA-O 3.31Å; I137-S206 WeakPolarHBondContact CA-O 3.16Å; G138-S206 PolarHBondContact N-O 3.45Å; G138-S206 PolarHBondContact O-N 3.3Å; G138-S206 VanDerWaalsContact O-N 3.11Å; N139-S206 PolarHBondContact OD1-OG 3.33Å
207I93.4Very high75.2Confident20 Ų2094.3 Ų94.310%0.10350%0.501CS..EExtended strand (participates in β ladder)trans-125.1118.4-179.7-56.7178.7000111.4L135 C136 I137 K190 L193 V194 I205L135-I207 HydrophobicContact CB-CG2 4.19Å; L135-I207 HydrophobicContact CD1-CG2 3.97Å; L135-I207 HydrophobicContact CD2-CG2 4.1Å; L135-I207 HydrophobicContact CG-CG2 4.33Å; C136-I207 WeakPolarHBondContact O-CA 3.47Å; I137-I207 HydrophobicContact CG1-CG1 4.26Å; I137-I207 HydrophobicContact CG2-CG1 4.46Å; K190-I207 HydrophobicContact CB-CG2 4.33Å; K190-I207 HydrophobicContact CG-CG2 3.89Å; L193-I207 HydrophobicContact CB-CD1 3.36Å; L193-I207 HydrophobicContact CD1-CD1 4.01Å; L193-I207 HydrophobicContact CG-CD1 4.34Å; V194-I207 HydrophobicContact CG2-CB 4.21Å; V194-I207 HydrophobicContact CG2-CD1 3.71Å; V194-I207 HydrophobicContact CG2-CG1 3.9Å; I205-I207 HydrophobicContact CD1-CD1 3.65Å; I205-I207 HydrophobicContact CD1-CG1 4.02Å; I205-I207 HydrophobicContact CG1-CD1 4.39Å; I205-I207 HydrophobicContact CG1-CG1 4.4Å
208K91.7Very high72.6Confident143 Ų14398.5 Ų98.562%0.62253%0.531SS*.EExtended strand (participates in β ladder)trans-118.1155.6177.4-64.7176.5-175.8172.40109.8L135 C136L135-K208 WeakPolarHBondContact CA-O 3.46Å; C136-K208 PolarHBondContact N-O 2.86Å; C136-K208 PolarHBondContact O-N 3.45Å
209W90.3Very high70.4Confident71 Ų7199.1 Ų99.127%0.26954%0.535SS..EExtended strand (participates in β ladder)trans-68.1133.6163.8-69.4119.4000107.6K132 L135 A186 K190K132-W209 HydrophobicContact CB-CD2 4.45Å; K132-W209 HydrophobicContact CB-CE3 3.91Å; K132-W209 HydrophobicContact CB-CZ3 4.02Å; K132-W209 WeakPolarHBondContact O-CZ3 3.08Å; L135-W209 HydrophobicContact CD2-CD2 3.95Å; L135-W209 HydrophobicContact CD2-CE3 3.35Å; L135-W209 HydrophobicContact CD2-CH2 4.14Å; L135-W209 HydrophobicContact CD2-CZ3 3.46Å; L135-W209 VanDerWaalsContact CD2-CZ3 3.46Å; L135-W209 HydrophobicContact CG-CE3 4.47Å; L135-W209 HydrophobicContact CG-CZ3 4.33Å; A186-W209 HydrophobicContact CB-CH2 4.08Å; A186-W209 HydrophobicContact CB-CZ3 3.8Å; K190-W209 HydrophobicContact CD-CD2 4.29Å; K190-W209 HydrophobicContact CD-CZ2 4Å; K190-W209 VanDerWaalsContact NZ-CD1 3.31Å
210E86.7Confident67.8Low49 Ų4996.5 Ų96.523%0.22953%0.533CS..  trans-62.4133168.6-175.771172.500108H134 C136 K166 V177 G212H134-E210 HydrophobicContact CB-CB 3.63Å; H134-E210 HydrophobicContact CB-CG 4.23Å; H134-E210 PolarHBondContact O-N 3.11Å; C136-E210 WeakPolarHBondContact CB-OE2 3.45Å; K166-E210 IonicContact NZ-OE1 2.59Å; K166-E210 PolarHBondContact NZ-OE1 3.47Å; K166-E210 IonicContact NZ-OE2 3.65Å; V177-E210 HydrophobicContact CG1-CG 4.47Å; E210-G212 PolarHBondContact O-N 2.71Å; E210-G212 VanDerWaalsContact O-N 3.08Å
211P74.5Confident65.5Low110 Ų11091.6 Ų91.671%0.71452%0.522SS*.  trans-60.7114.4173.6-20.432.7000109.3
212G61Low63.3Low59 Ų5990.4 Ų90.461%0.60853%0.526SS*.PPolyproline II helixtrans-71.5150.6167.900000109.9E210 N214E210-G212 PolarHBondContact O-N 2.71Å; E210-G212 VanDerWaalsContact O-N 3.08Å; G212-N214 PolarHBondContact O-N 3.49Å; G212-N214 VanDerWaalsContact O-N 3.11Å
213E46.5Very low61Low196 Ų19690.6 Ų90.692%0.91653%0.525SS*.PPolyproline II helixtrans-54.8119.7160.5-71.8179.7108.700108P215E213-P215 WeakPolarHBondContact O-CD 3.47Å
214N37.8Very low58.9Low152 Ų15291.6 Ų91.681%0.81353%0.534SS*.PPolyproline II helixtrans-63.1123.4174.4-76-46.1000107.4G212 S216G212-N214 PolarHBondContact O-N 3.49Å; G212-N214 VanDerWaalsContact O-N 3.11Å; N214-S216 PolarHBondContact O-N 3.4Å
215P38.3Very low56.6Low99 Ų9990.1 Ų90.164%0.64354%0.543SS*.PPolyproline II helixtrans-57.3131.4168.325.4-32.3000107.6E213E213-P215 WeakPolarHBondContact O-CD 3.47Å
216S31.1Very low54.2Low81 Ų8199.3 Ų99.357%0.56659%0.586SS**PPolyproline II helixtrans-56.2151.5-173.645.80000111.8N214 S218N214-S216 PolarHBondContact O-N 3.4Å; S216-S218 PolarHBondContact O-N 3.17Å; S216-S218 PolarHBondContact OG-OG 2.88Å
217P37Very low51.9Low126 Ų126106.2 Ų106.282%0.81861%0.611SS**THydrogen-bonded Turntrans-69.218-173.128-36000115.1
218S34.6Very low49.3Very low96 Ų96113 Ų11367%0.67165%0.645SS**THydrogen-bonded Turntrans-81.4-5.4-178.155.10000114.8S216S216-S218 PolarHBondContact O-N 3.17Å; S216-S218 PolarHBondContact OG-OG 2.88Å
219Q45.7Very low46.7Very low131 Ų131111.9 Ų111.961%0.61265%0.646SS**  trans-104.956.5171.5-70.9-176.34600112.4C221Q219-C221 PolarHBondContact O-N 3.04Å
220T35.5Very low44.1Very low108 Ų108116.3 Ų116.366%0.66367%0.674SS**  trans-55.8131.3158.3-59.40000108.7S222T220-S222 PolarHBondContact O-N 3.12Å
221C40.1Very low41.7Very low49 Ų49121.1 Ų121.133%0.33170%0.696SS.*  trans-78.373.3177.6-137.10000109.4C125 Q219C125-C221 HydrophobicContact CB-CB 4.24Å; C125-C221 WeakPolarHBondContact CB-SG 3.24Å; C125-C221 WeakPolarHBondContact SG-CB 3.46Å; C125-C221 CovalentContact SG-SG 2.05Å; C125-C221 PolarHBondContact SG-SG 2.64Å; Q219-C221 PolarHBondContact O-N 3.04Å
222S40.5Very low39.9Very low79 Ų79121 Ų12155%0.55270%0.696SS**PPolyproline II helixtrans-65.2136.1172.7-54.70000109.4T220T220-S222 PolarHBondContact O-N 3.12Å
223P41.3Very low38.4Very low116 Ų116123.3 Ų123.375%0.75370%0.701SS**PPolyproline II helixtrans-60.5126.7170.926-32.6000108.6
224P41.5Very low37.7Very low67 Ų67124 Ų12444%0.43570%0.701SS.*PPolyproline II helixtrans-65.2142.517726.5-32.8000109.9Q226P224-Q226 PolarHBondContact O-N 3.46Å
225A39.1Very low37.3Very low92 Ų92122.1 Ų122.176%0.7670%0.695SS**PPolyproline II helixtrans-54.8141.316800000109.8K227A225-K227 PolarHBondContact O-N 3.31Å
226Q41.6Very low37Very low202 Ų202123.5 Ų123.594%0.94471%0.707SS**  trans-46.9107.5-168.4-65.3169.5-6.500112.4P224P224-Q226 PolarHBondContact O-N 3.46Å
227K41.1Very low36.9Very low184 Ų184125.1 Ų125.180%0.872%0.718SS**  trans-89.3130.8163.7-75.1-176178.3177.70108.6A225 L229A225-K227 PolarHBondContact O-N 3.31Å; K227-L229 PolarHBondContact O-N 3.43Å
228I38.9Very low36.6Very low162 Ų162124.7 Ų124.783%0.83172%0.717SS**  trans-56.9129.9-174.7-67.3164000110.1L230I228-L230 PolarHBondContact O-N 2.97Å
229L36.8Very low36.6Very low121 Ų121129.4 Ų129.463%0.63473%0.729SS**  trans-71.6104.6179-174.676.1000109.9K227 Q231K227-L229 PolarHBondContact O-N 3.43Å; L229-Q231 HydrophobicContact CD2-CG 3.95Å; L229-Q231 HydrophobicContact CG-CG 4.31Å; L229-Q231 PolarHBondContact O-N 3.34Å
230L36.1Very low35.8Very low163 Ų163128.1 Ų128.185%0.85374%0.741SS**  trans-78.9102.2159.7-74.4168.8000108I228I228-L230 PolarHBondContact O-N 2.97Å
231Q35.7Very low35.5Very low150 Ų150129.5 Ų129.570%0.70175%0.748SS**  trans-65.9135.4167.5-73.6-179.8-3300109.5L229 C233L229-Q231 HydrophobicContact CD2-CG 3.95Å; L229-Q231 HydrophobicContact CG-CG 4.31Å; L229-Q231 PolarHBondContact O-N 3.34Å; Q231-C233 PolarHBondContact O-N 3.24Å
232P36.9Very low34.9Very low108 Ų108132.5 Ų132.570%0.70177%0.77SS**  trans-74.1109164.829.6-30.5000109.1F234P232-F234 PolarHBondContact O-N 3.31Å; P232-F234 VanDerWaalsContact O-N 3.14Å
233C29.7Very low34.2Very low108 Ų108137.6 Ų137.673%0.7379%0.785SS**  trans-66.5109.1167.3-61.20000109Q231 V235Q231-C233 PolarHBondContact O-N 3.24Å; C233-V235 VanDerWaalsContact C-N 3.31Å; C233-V235 HydrophobicContact CB-CG2 4.05Å; C233-V235 PolarHBondContact O-N 2.9Å
234F31.9Very low34.3Very low209 Ų209137.2 Ų137.292%0.91778%0.782SS**  trans-69.690166.6-84.1-89.4000109.3P232P232-F234 PolarHBondContact O-N 3.31Å; P232-F234 VanDerWaalsContact O-N 3.14Å
235V29.3Very low33.7Very low113 Ų113140 Ų14069%0.68580%0.804SS**  trans-97.2102.5171.4-174.80000108.5C233 C237C233-V235 VanDerWaalsContact C-N 3.31Å; C233-V235 HydrophobicContact CB-CG2 4.05Å; C233-V235 PolarHBondContact O-N 2.9Å; V235-C237 HydrophobicContact CG1-CB 4.26Å; V235-C237 PolarHBondContact O-N 2.91Å
236S32.4Very low33.3Very low128 Ų128140.1 Ų140.190%0.89580%0.804SS**  trans-67.3120.1157.2-700000108.1
237C28.6Very low33.1Very low116 Ų116136.1 Ų136.178%0.78480%0.796SS**  trans-137.6118.7169-1580000110.8V235V235-C237 HydrophobicContact CG1-CB 4.26Å; V235-C237 PolarHBondContact O-N 2.91Å
238S31.5Very low33.2Very low116 Ų116132.5 Ų132.581%0.81179%0.791SS**  trans-74.6145.5174.2-55.90000110.9
239Q34.4Very low32.7Very low196 Ų196134.3 Ų134.392%0.91680%0.796SS**  trans-16.6126.7169-58.4168.9-2.800117.7
240A29Very low32.3Very low104 Ų104136.1 Ų136.186%0.8681%0.806SS**  trans-159.9142.5138.900000112.3
241V28.6Very low32.1Very low136 Ų136136.7 Ų136.782%0.82480%0.804SS**  trans-86.3158.3-162.9-165.80000113.6
242S27.4Very low32.2Very low113 Ų113135.7 Ų135.779%0.7981%0.811SS**  trans110.3121145.1-370000119.8
243H27.4Very low31.6Very low185 Ų185135.3 Ų135.386%0.85682%0.817SS**  trans-78.1-173164.5-77.9-78.8000112.7
244P42Very low31.4Very low108 Ų108134.5 Ų134.570%0.70182%0.818SS**  cis-136.4173.7-4335.6-19.8000113.4
245S28.8Very low31.9Very low127 Ų127130.2 Ų130.289%0.88881%0.811SS**  trans-172.7160137.6-85.90000112.5
246A31.5Very low32.6Very low93 Ų93130.1 Ų130.177%0.76981%0.812SS**  trans-117.9-159.2-162.700000113.2
247P36.7Very low32.5Very low119 Ų119130.3 Ų130.377%0.77381%0.808SS**  -124.8-138.5-115.734.4-10.3000112.8
248P43Very low32.5Very low108 Ų108130.2 Ų130.270%0.70181%0.809SS**  -113-179.5-78.734.7-19.5000112.5
249Q29.3Very low32.9Very low199 Ų199131 Ų13193%0.9381%0.811SS**  trans-148.4161.1148.9-87.2-132.5-18.100113.5
250L28.1Very low32.5Very low160 Ų160125.4 Ų125.484%0.83881%0.806SS**  trans-110172.1-161.9-86.1142.5000114.2
251Q32.8Very low32.3Very low175 Ų175130.1 Ų130.182%0.81881%0.807SS**  trans-63.5166.5-176.2-55.8163.7-43.900114.8
252P36.6Very low32.3Very low129 Ų129130 Ų13084%0.83881%0.811SS**  -130.7175.192.66.317000113
253A25.2Very low32.3Very low100 Ų100136 Ų13683%0.82682%0.816SS**  cis-159.5-149.6-14.200000109.9
254A25.6Very low32.3Very low91 Ų91131.5 Ų131.575%0.75281%0.811SS**  trans-146.2-161.818000000110.2
255P42.4Very low31.6Very low118 Ų118133.4 Ų133.477%0.76682%0.821SS**  cis-129.3-130.6-25.740.6-20000109.3
256P44Very low31.4Very low111 Ų111131.2 Ų131.272%0.72182%0.818SS**  -119.8-172.6-50.437.7-21.5000112.9
257V29Very low31.2Very low132 Ų132134.9 Ų134.980%0.882%0.819SS**  172.1135.4128156.50000112
258S28.7Very low31.2Very low115 Ų115134.5 Ų134.580%0.80482%0.817SS**  trans-145.9152.2156.4-59.90000106.1
259P39.6Very low30.5Very low132 Ų132134.7 Ų134.786%0.85782%0.816SS**  -156.3177.985.639.5-19.2000116.1
260G27.3Very low30.3Very low78 Ų78130.5 Ų130.580%0.80481%0.809SS**  trans-173117.1168.100000114.4
261F25.3Very low30.5Very low203 Ų203129 Ų12989%0.8981%0.809SS**  trans-95.5158.9177.7-100-114000112.1
262C28.6Very low30.1Very low135 Ų135128.3 Ų128.391%0.91281%0.81SS**  173.2169.4124.2-94.20000114.3
263R27Very low29.7Very low237 Ų237129.3 Ų129.389%0.89480%0.803SS**  trans-148.1128.2-156.2174.9-170.3-173.9-174.93.6113.6
264A26.9Very low29.9Very low91 Ų91130.4 Ų130.475%0.75280%0.802SS**  trans59.1166.916200000117.2
265V27.1Very low29.9Very low148 Ų148134.2 Ų134.290%0.89780%0.804SS**  cis-152.6166.820.5-810000111.4
266G25.4Very low29Very low82 Ų82133.5 Ų133.585%0.84581%0.807SS**  trans166.7101.9163.200000118
267E25.8Very low27.9Very low169 Ų169133.7 Ų133.779%0.7981%0.81SS**  trans-87.3178.9172.6-89.2-87147.300111.5V269E267-V269 PolarHBondContact OE2-N 3.33Å
268P38.7Very low27.5Very low112 Ų112137.1 Ų137.173%0.72781%0.81SS**  cis-151.1156.130.941.8-18.5000123.3
269V27.1Very low27.5Very low112 Ų112137.3 Ų137.368%0.67981%0.809SS**  trans65.3109.1131.4178.30000124.2E267E267-V269 PolarHBondContact OE2-N 3.33Å
270S24.3Very low26.7Very low110 Ų110137.6 Ų137.677%0.76980%0.802SS**  55166.3127.3-57.40000123.6
271P33.9Very low26.6Very low130 Ų130139.9 Ų139.984%0.84480%0.803SS**  cis-132.6-171.58.241-21.3000117.7
272L23.3Very low26.5Very low159 Ų159136.2 Ų136.283%0.83280%0.797SS**  trans-90.4150.9-171.3-73.9138.6000116.4
273Q28.3Very low26.4Very low151 Ų151134.6 Ų134.671%0.70679%0.787SS**  trans13.7153.1143.2-103.1175.9-36.600123.2
274P30.7Very low26.3Very low122 Ų122132.2 Ų132.279%0.79279%0.786SS**  -141-178.7105.137-22000116.6
275H24.8Very low26.4Very low172 Ų172135.5 Ų135.580%0.79679%0.786SS**  trans-83.3159.2-164-56.8-99.8000117.1
276A23.1Very low26.5Very low102 Ų102133.5 Ų133.584%0.84378%0.776SS**  trans-151.5154148.900000111.3
277C20.6Very low26.7Very low115 Ų115138 Ų13878%0.77778%0.775SS**  trans-100.5154.5-168.7-66.20000114.8
278Y21.8Very low26.8Very low204 Ų204138.8 Ų138.880%0.878%0.779SS**  trans18.1148.7144-67.2-66.9000121.5
279P27.3Very low26.4Very low119 Ų119141.5 Ų141.577%0.77378%0.781SS**  cis-145.5174.942.640.6-20.4000119.1
280L24.2Very low26.6Very low138 Ų138144.7 Ų144.772%0.72379%0.791SS**  trans-68.7158.7162.2-72.780.5000111.5
281P25.2Very low27Very low126 Ų126145.3 Ų145.382%0.81879%0.79SS**  trans-106.5129.5144.10.819.5000111.5
282T23.3Very low27.1Very low126 Ų126144.3 Ų144.377%0.77379%0.785SS**  trans-80.5139.8172.1-1.30000111.8
283S25Very low28.2Very low101 Ų101140.9 Ų140.971%0.70678%0.779SS**  trans30.1108.5146.8-179.50000119.4
284H26.4Very low30Very low187 Ų187137.1 Ų137.187%0.86677%0.768SS**  trans-124.7125139.9-96.8-85.9000110.9
285H28.9Very low32.5Very low160 Ų160133.3 Ų133.374%0.74174%0.744SS**  trans-65.1139.4173-124.6-44.1000110
286P27.8Very low35.5Very low107 Ų107126.6 Ų126.670%0.69572%0.716SS**  -105.9148.3123.4-12.329000109.5Q288P286-Q288 PolarHBondContact O-N 3.36Å
287Q29.7Very low38.6Very low176 Ų176123.9 Ų123.982%0.82269%0.689SS**  trans-62.9109.8170.5-74.8160-79.700109H289Q287-H289 PolarHBondContact O-N 2.94Å
288Q29.2Very low41.7Very low186 Ų186123.6 Ų123.687%0.86968%0.677SS**  trans-67.491.3159.4-73.5-1740.700107.4P286 M290P286-Q288 PolarHBondContact O-N 3.36Å; Q288-M290 PolarHBondContact O-N 2.84Å; Q288-M290 VanDerWaalsContact O-N 3.07Å
289H30.3Very low44.8Very low168 Ų168117.1 Ų117.178%0.77866%0.656SS**  trans-56114.8162.4-144.8-119.6000106.3Q287 V291Q287-H289 PolarHBondContact O-N 2.94Å; H289-V291 VanDerWaalsContact C-N 3.27Å; H289-V291 PolarHBondContact O-N 3.3Å
290M31.1Very low47.6Very low179 Ų179111.4 Ų111.488%0.88262%0.619SS**  trans-62.895.1173.4-90.4-162.974.500107.8Q288 C292Q288-M290 PolarHBondContact O-N 2.84Å; Q288-M290 VanDerWaalsContact O-N 3.07Å; M290-C292 PolarHBondContact O-N 2.93Å
291V32.2Very low50.5Low124 Ų124108.1 Ų108.175%0.75260%0.6SS**  trans-69.193.4165.6-175.90000105.8H289 A293H289-V291 VanDerWaalsContact C-N 3.27Å; H289-V291 PolarHBondContact O-N 3.3Å; V291-A293 PolarHBondContact O-N 2.93Å
292C35.8Very low53.4Low109 Ų109108.1 Ų108.174%0.73659%0.587SS**PPolyproline II helixtrans-51.4127170.1-159.80000107.4M290 P294M290-C292 PolarHBondContact O-N 2.93Å; C292-P294 VanDerWaalsContact O-N 3.17Å
293A47.5Very low56.4Low87 Ų87103 Ų10372%0.71956%0.556SS**PPolyproline II helixtrans-54.2126-17700000108.8V291 S295V291-A293 PolarHBondContact O-N 2.93Å; A293-S295 PolarHBondContact O-N 3.48Å
294P65.8Low59.2Low72 Ų7298.3 Ų98.347%0.46852%0.522SS..PPolyproline II helixtrans-60.9130.3-171.623.3-33000109.9C292C292-P294 VanDerWaalsContact O-N 3.17Å
295S83.1Confident62.1Low41 Ų4195.5 Ų95.529%0.28751%0.51SS..PPolyproline II helixtrans-49.9137.6175.5177.10000110A293 V297 M298 L299A293-S295 PolarHBondContact O-N 3.48Å; S295-V297 PolarHBondContact O-N 3.34Å; S295-M298 WeakPolarHBondContact O-CA 3.36Å; S295-M298 WeakPolarHBondContact O-CB 3.47Å; S295-M298 PolarHBondContact O-N 2.9Å; S295-L299 PolarHBondContact O-N 2.74Å
296P86.6Confident64.7Low31 Ų3192 Ų9220%0.20151%0.508CS..Hα-helixtrans-47.5-34.9177-32.535.3000114.3L299 L300 R363 A366 Q367 L370P296-L299 PolarHBondContact O-N 3.15Å; P296-L300 PolarHBondContact O-N 3.04Å; P296-R363 HydrophobicContact CB-CG 4.16Å; P296-R363 HydrophobicContact CG-CG 3.81Å; P296-A366 HydrophobicContact CB-CB 4.18Å; P296-Q367 HydrophobicContact CB-CB 4.13Å; P296-Q367 HydrophobicContact CG-CB 4.43Å; P296-L370 WeakPolarHBondContact O-CD1 3.38Å
297V88Confident67.3Low46 Ų4690.2 Ų90.228%0.27949%0.493SS..Hα-helixtrans-65.1-44.1175.1-171.60000112.1S295 L299 L300 H301 Q362 R363 A366S295-V297 PolarHBondContact O-N 3.34Å; V297-L299 VanDerWaalsContact C-N 3.33Å; V297-L300 PolarHBondContact O-N 2.93Å; V297-H301 PolarHBondContact O-N 3.08Å; V297-Q362 HydrophobicContact CG2-CB 4.47Å; V297-R363 HydrophobicContact CG2-CB 4.4Å; V297-A366 HydrophobicContact CB-CB 4.39Å; V297-A366 HydrophobicContact CG2-CB 3.98Å
298M86.4Confident69.9Low109 Ų10984.9 Ų84.954%0.53749%0.486SS..Hα-helixtrans-66.2-36.4175.9-70.3-62.1-57.700111.8S295 K302S295-M298 WeakPolarHBondContact O-CA 3.36Å; S295-M298 WeakPolarHBondContact O-CB 3.47Å; S295-M298 PolarHBondContact O-N 2.9Å; M298-K302 WeakPolarHBondContact O-CG 3.27Å; M298-K302 PolarHBondContact O-N 3.36Å; M298-K302 VanDerWaalsContact O-N 3.12Å
299L87.2Confident72.5Confident67 Ų6778.4 Ų78.435%0.35146%0.455SS..Hα-helixtrans-69.5-41.5177.3-176.859.5000111.1S295 P296 V297 K302 V303 L370S295-L299 PolarHBondContact O-N 2.74Å; P296-L299 PolarHBondContact O-N 3.15Å; V297-L299 VanDerWaalsContact C-N 3.33Å; L299-K302 PolarHBondContact O-N 2.84Å; L299-V303 WeakPolarHBondContact O-CG2 3.34Å; L299-V303 PolarHBondContact O-N 3.31Å; L299-L370 HydrophobicContact CB-CD1 3.95Å; L299-L370 HydrophobicContact CD2-CD1 3.9Å; L299-L370 HydrophobicContact CG-CD1 3.89Å; L299-L370 HydrophobicContact CG-CD2 4.15Å
300L85.9Confident75Confident0 Ų072.1 Ų72.10%044%0.435CS..Hα-helixtrans-61.6-44.3173.5-176.464.4000111.6P296 V297 K302 V303 C304 P312 Y314 A366 L369 L370 M373P296-L300 PolarHBondContact O-N 3.04Å; V297-L300 PolarHBondContact O-N 2.93Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 3.13Å; L300-V303 PolarHBondContact O-N 3.29Å; L300-C304 PolarHBondContact O-N 2.65Å; L300-C304 PolarHBondContact O-SG 2.83Å; L300-P312 HydrophobicContact CD2-CB 4.42Å; L300-P312 HydrophobicContact CD2-CG 4.33Å; L300-P312 HydrophobicContact CG-CG 4.5Å; L300-Y314 WeakPolarHBondContact CD2-OH 3.14Å; L300-A366 HydrophobicContact CB-CB 4.27Å; L300-A366 HydrophobicContact CD2-CB 4.08Å; L300-L369 HydrophobicContact CD1-CB 4.24Å; L300-L369 HydrophobicContact CD2-CB 4.05Å; L300-L369 HydrophobicContact CD2-CD1 3.66Å; L300-L370 HydrophobicContact CB-CD1 4.32Å; L300-L370 HydrophobicContact CB-CD2 4.21Å; L300-L370 HydrophobicContact CB-CG 4.05Å; L300-L370 HydrophobicContact CD1-CD2 4.05Å; L300-L370 HydrophobicContact CD1-CG 4.1Å; L300-M373 HydrophobicContact CD1-SD 3.64Å
301H86.2Confident77.4Confident69 Ų6969.3 Ų69.332%0.31942%0.42SS..Hα-helixtrans-55.6-49.7175.4-169.1-77.8000111.7V297 V303 C304 E305V297-H301 PolarHBondContact O-N 3.08Å; H301-V303 VanDerWaalsContact C-N 3.33Å; H301-V303 PolarHBondContact O-N 3.45Å; H301-C304 PolarHBondContact O-N 3.1Å; H301-E305 IonicContact CE1-OE2 2.64Å; H301-E305 IonicContact ND1-OE2 2.63Å; H301-E305 PolarHBondContact ND1-OE2 2.87Å; H301-E305 VanDerWaalsContact O-CB 3.27Å; H301-E305 WeakPolarHBondContact O-CB 3.2Å; H301-E305 PolarHBondContact O-N 3.16Å
302K84.8Confident80Confident125 Ų12564 Ų6454%0.54339%0.388SS..Hα-helixtrans-61.1-38.4178-74.7-175.1176.3-1670113.1M298 L299 L300 A306M298-K302 WeakPolarHBondContact O-CG 3.27Å; M298-K302 PolarHBondContact O-N 3.36Å; M298-K302 VanDerWaalsContact O-N 3.12Å; L299-K302 PolarHBondContact O-N 2.84Å; L300-K302 VanDerWaalsContact C-N 3.35Å; L300-K302 PolarHBondContact O-N 3.13Å; K302-A306 WeakPolarHBondContact O-CB 3.36Å; K302-A306 PolarHBondContact O-N 2.85Å
303V86.2Confident82.4Confident20 Ų2064.6 Ų64.612%0.12138%0.378CS..Hα-helixtrans-66.7-44.1176.2169.90000110.7L299 L300 H301 N307 L370 M373 F374L299-V303 WeakPolarHBondContact O-CG2 3.34Å; L299-V303 PolarHBondContact O-N 3.31Å; L300-V303 PolarHBondContact O-N 3.29Å; H301-V303 VanDerWaalsContact C-N 3.33Å; H301-V303 PolarHBondContact O-N 3.45Å; V303-N307 PolarHBondContact O-N 3.49Å; V303-N307 PolarHBondContact O-ND2 3.35Å; V303-L370 HydrophobicContact CB-CD2 4.27Å; V303-L370 HydrophobicContact CG2-CD2 3.86Å; V303-M373 HydrophobicContact CG1-CE 3.77Å; V303-F374 HydrophobicContact CG2-CZ 4.14Å
304C84.7Confident84.3Confident1 Ų163 Ų631%0.00735%0.354CS..Hα-helixtrans-64.9-42.6177.1-63.20000112.1L300 H301 N307 G308 F309 G310L300-C304 PolarHBondContact O-N 2.65Å; L300-C304 PolarHBondContact O-SG 2.83Å; H301-C304 PolarHBondContact O-N 3.1Å; C304-N307 PolarHBondContact O-N 2.94Å; C304-G308 PolarHBondContact O-N 3.32Å; C304-G308 VanDerWaalsContact O-N 3.15Å; C304-F309 HydrophobicContact CB-CB 4.22Å; C304-F309 PolarHBondContact O-N 2.92Å; C304-G310 VanDerWaalsContact CB-O 3.26Å; C304-G310 WeakPolarHBondContact CB-O 3.41Å
305E85.9Confident85.3Confident128 Ų12864.9 Ų64.960%0.59836%0.357SS*.Hα-helixtrans-62.9-48.9177.1-175.4175.4-171.700112.1H301 N307 G308H301-E305 IonicContact CE1-OE2 2.64Å; H301-E305 IonicContact ND1-OE2 2.63Å; H301-E305 PolarHBondContact ND1-OE2 2.87Å; H301-E305 VanDerWaalsContact O-CB 3.27Å; H301-E305 WeakPolarHBondContact O-CB 3.2Å; H301-E305 PolarHBondContact O-N 3.16Å; E305-N307 PolarHBondContact O-N 2.87Å; E305-G308 PolarHBondContact O-N 2.85Å
306A84.1Confident85.6Confident86 Ų8664.5 Ų64.571%0.71135%0.351SS*.Hα-helixtrans-64.3-23.5-179.700000114.3K302K302-A306 WeakPolarHBondContact O-CB 3.36Å; K302-A306 PolarHBondContact O-N 2.85Å
307N82.6Confident85.6Confident71 Ų7168.8 Ų68.838%0.3837%0.368SS..THydrogen-bonded Turntrans-101.64.6176.1-67.1-88.2000113.1V303 C304 E305 F309V303-N307 PolarHBondContact O-N 3.49Å; V303-N307 PolarHBondContact O-ND2 3.35Å; C304-N307 PolarHBondContact O-N 2.94Å; E305-N307 PolarHBondContact O-N 2.87Å; N307-F309 VanDerWaalsContact C-N 3.25Å; N307-F309 HydrophobicContact CB-CD1 4.04Å; N307-F309 HydrophobicContact CB-CD2 3.61Å; N307-F309 HydrophobicContact CB-CE1 3.81Å; N307-F309 HydrophobicContact CB-CE2 3.36Å; N307-F309 HydrophobicContact CB-CG 3.94Å; N307-F309 HydrophobicContact CB-CZ 3.47Å; N307-F309 VanDerWaalsContact CB-CZ 3.47Å; N307-F309 WeakPolarHBondContact O-CD1 3.47Å; N307-F309 PolarHBondContact O-N 2.8Å
308G83.8Confident85.4Confident64 Ų6472 Ų7266%0.6638%0.376SS*.THydrogen-bonded Turntrans69.416.1-178.700000115C304 E305 G310C304-G308 PolarHBondContact O-N 3.32Å; C304-G308 VanDerWaalsContact O-N 3.15Å; E305-G308 PolarHBondContact O-N 2.85Å; G308-G310 VanDerWaalsContact C-N 3.26Å; G308-G310 PolarHBondContact O-N 3.2Å
309F84.3Confident84.7Confident50 Ų5069.6 Ų69.622%0.21937%0.37CS..  trans-76.1-6.6-175.8-58.3-33.5000114.7C304 N307 I335 P336 G337 I338 M373C304-F309 HydrophobicContact CB-CB 4.22Å; C304-F309 PolarHBondContact O-N 2.92Å; N307-F309 VanDerWaalsContact C-N 3.25Å; N307-F309 HydrophobicContact CB-CD1 4.04Å; N307-F309 HydrophobicContact CB-CD2 3.61Å; N307-F309 HydrophobicContact CB-CE1 3.81Å; N307-F309 HydrophobicContact CB-CE2 3.36Å; N307-F309 HydrophobicContact CB-CG 3.94Å; N307-F309 HydrophobicContact CB-CZ 3.47Å; N307-F309 VanDerWaalsContact CB-CZ 3.47Å; N307-F309 WeakPolarHBondContact O-CD1 3.47Å; N307-F309 PolarHBondContact O-N 2.8Å; F309-I335 HydrophobicContact CB-CG2 3.65Å; F309-P336 WeakPolarHBondContact O-CD 3.34Å; F309-G337 PolarHBondContact O-N 2.9Å; F309-I338 HydrophobicContact CB-CG1 4.22Å; F309-I338 HydrophobicContact CD1-CG1 4.06Å; F309-I338 HydrophobicContact CD2-CD1 3.77Å; F309-I338 HydrophobicContact CD2-CG1 3.95Å; F309-I338 HydrophobicContact CE1-CG1 4.38Å; F309-I338 HydrophobicContact CE2-CD1 4.03Å; F309-I338 HydrophobicContact CE2-CG1 4.28Å; F309-I338 HydrophobicContact CG-CD1 4.17Å; F309-I338 HydrophobicContact CG-CG1 3.85Å; F309-I338 HydrophobicContact CZ-CG1 4.48Å; F309-M373 HydrophobicContact CD2-CE 3.84Å; F309-M373 HydrophobicContact CE2-CE 3.73Å
310G83.1Confident83.6Confident36 Ų3674.1 Ų74.137%0.37139%0.394SS..  trans73.7178.4-176.600000113.8C304 G308C304-G310 VanDerWaalsContact CB-O 3.26Å; C304-G310 WeakPolarHBondContact CB-O 3.41Å; G308-G310 VanDerWaalsContact C-N 3.26Å; G308-G310 PolarHBondContact O-N 3.2Å
311Q81.8Confident82.4Confident120 Ų12076.6 Ų76.656%0.56141%0.414SS*.PPolyproline II helixtrans-75.2134.8-173.5-169.7174.9-4.100111.8F313 P336Q311-F313 VanDerWaalsContact O-CD2 3.26Å; Q311-F313 WeakPolarHBondContact O-CD2 3.41Å; Q311-F313 WeakPolarHBondContact O-CE2 3.45Å; Q311-F313 PolarHBondContact O-N 3.24Å; Q311-P336 WeakPolarHBondContact O-CD 3.27Å
312P86.1Confident81.4Confident12 Ų1277.9 Ų77.98%0.07842%0.416CS..PPolyproline II helixtrans-69.9126.817427-34.3000112L300 Y314 V333 L334 I335L300-P312 HydrophobicContact CD2-CB 4.42Å; L300-P312 HydrophobicContact CD2-CG 4.33Å; L300-P312 HydrophobicContact CG-CG 4.5Å; P312-Y314 HydrophobicContact CB-CE2 4.01Å; P312-Y314 HydrophobicContact CG-CE2 4.08Å; P312-V333 HydrophobicContact CB-CG1 4.11Å; P312-L334 WeakPolarHBondContact CA-O 3.11Å; P312-I335 HydrophobicContact CB-CD1 4.46Å; P312-I335 HydrophobicContact CB-CG1 4.03Å
313F86.1Confident80.2Confident122 Ų12278.8 Ų78.854%0.53544%0.435SS..EExtended strand (participates in β ladder)trans-98.3129.5173.1-65.4-87.3000110.1Q311 V333 L334 P336Q311-F313 VanDerWaalsContact O-CD2 3.26Å; Q311-F313 WeakPolarHBondContact O-CD2 3.41Å; Q311-F313 WeakPolarHBondContact O-CE2 3.45Å; Q311-F313 PolarHBondContact O-N 3.24Å; F313-V333 VanDerWaalsContact O-CA 3.27Å; F313-V333 WeakPolarHBondContact O-CA 3.33Å; F313-V333 WeakPolarHBondContact O-CG1 3.45Å; F313-L334 HydrophobicContact CB-CB 4.46Å; F313-L334 PolarHBondContact N-O 2.78Å; F313-L334 PolarHBondContact O-N 3.33Å; F313-P336 HydrophobicContact CD2-CG 4.2Å; F313-P336 HydrophobicContact CE2-CG 3.84Å
314Y87.8Confident79.4Confident52 Ų5281.2 Ų81.220%0.20445%0.447CS..EExtended strand (participates in β ladder)trans-110.4120-176.7-65.1-104.5000111.1L300 P312 V333 Q362 I365L300-Y314 WeakPolarHBondContact CD2-OH 3.14Å; P312-Y314 HydrophobicContact CB-CE2 4.01Å; P312-Y314 HydrophobicContact CG-CE2 4.08Å; Y314-V333 HydrophobicContact CD1-CG1 4.47Å; Y314-V333 HydrophobicContact CD1-CG2 3.47Å; Y314-V333 VanDerWaalsContact CD1-CG2 3.47Å; Y314-V333 HydrophobicContact CE1-CG1 4.49Å; Y314-V333 HydrophobicContact CE1-CG2 3.91Å; Y314-V333 HydrophobicContact CG-CG2 4.09Å; Y314-Q362 HydrophobicContact CD1-CG 4.26Å; Y314-I365 HydrophobicContact CD1-CG2 4.26Å; Y314-I365 HydrophobicContact CE1-CB 4.41Å; Y314-I365 HydrophobicContact CE1-CG2 3.94Å
315E87.8Confident78.9Confident113 Ų11383 Ų8353%0.52847%0.465SS..EExtended strand (participates in β ladder)trans-106.5124.7167.5-169.8171.3179.700109.3H317 Y331 E332E315-H317 IonicContact OE1-CE1 2.73Å; E315-H317 PolarHBondContact OE1-CE1 3.43Å; E315-Y331 WeakPolarHBondContact O-CA 3.26Å; E315-E332 HydrophobicContact CB-CB 4.43Å; E315-E332 PolarHBondContact N-O 3.06Å; E315-E332 PolarHBondContact O-N 3.33Å
316L89.2Confident78.6Confident33 Ų3379.4 Ų79.417%0.17345%0.448CS..EExtended strand (participates in β ladder)trans-134.7112.5-163.7-71.4166.4000111.1F329 L358 Q362 I365L316-F329 HydrophobicContact CB-CD1 4.47Å; L316-F329 HydrophobicContact CD2-CD1 4.45Å; L316-L358 HydrophobicContact CB-CD1 4.03Å; L316-L358 HydrophobicContact CD1-CD1 3.54Å; L316-L358 HydrophobicContact CD1-CG 4.19Å; L316-L358 HydrophobicContact CG-CD1 4.38Å; L316-Q362 HydrophobicContact CD1-CG 3.7Å; L316-I365 HydrophobicContact CD2-CD1 3.37Å
317H85.9Confident78.5Confident121 Ų12175.7 Ų75.756%0.5642%0.416SS*.EExtended strand (participates in β ladder)trans-111.8126.1177.4-6998000109.7E315 F329 T330E315-H317 IonicContact OE1-CE1 2.73Å; E315-H317 PolarHBondContact OE1-CE1 3.43Å; H317-F329 CarbonylContact O-C 3.57Å; H317-F329 WeakPolarHBondContact O-CA 3.47Å; H317-T330 PolarHBondContact N-O 2.92Å; H317-T330 PolarHBondContact O-N 3.43Å
318Y83.3Confident78.7Confident113 Ų11375.4 Ų75.444%0.44341%0.412SS..EExtended strand (participates in β ladder)trans-125.4146.6177.268.5-87.7000112.2V327 K328 F329 V354Y318-V327 HydrophobicContact CD2-CG1 4.02Å; Y318-V327 HydrophobicContact CG-CG1 4.38Å; Y318-K328 WeakPolarHBondContact CA-O 3.47Å; Y318-F329 HydrophobicContact CD1-CD1 4.31Å; Y318-F329 AromaticContact CD1-CE1 3.65Å; Y318-F329 HydrophobicContact CD1-CE1 3.65Å; Y318-F329 HydrophobicContact CD1-CZ 4.04Å; Y318-F329 HydrophobicContact CG-CD1 4.39Å; Y318-F329 AromaticContact CG-CE1 3.89Å; Y318-F329 HydrophobicContact CG-CE1 3.89Å; Y318-F329 AromaticContact CG-CZ 3.96Å; Y318-F329 HydrophobicContact CG-CZ 3.96Å; Y318-V354 HydrophobicContact CE1-CG1 4.23Å; Y318-V354 WeakPolarHBondContact OH-CG1 3.09Å
319S72.4Confident79.1Confident58 Ų5872.3 Ų72.341%0.40638%0.38SS..PPolyproline II helixtrans-98.1160.3170.663.90000110.7K328S319-K328 PolarHBondContact N-O 3.36Å
320L63.8Low79.3Confident163 Ų16372.8 Ų72.885%0.85339%0.387SS*.SBendtrans-54.5152.6172-163.567.1000111R322L320-R322 PolarHBondContact O-N 2.96Å
321A61.5Low79.7Confident52 Ų5271.3 Ų71.343%0.4337%0.37SS..PPolyproline II helixtrans-51.3131-175.200000111.9V327A321-V327 HydrophobicContact CB-CG2 4.34Å
322R64.3Low80.1Confident96 Ų9668 Ų6836%0.36236%0.355SS..PPolyproline II helixtrans-75.3165.8176.3-78.1-162.8-51.3-173.2-0.3110.5L320 D324 G325 F326 M347L320-R322 PolarHBondContact O-N 2.96Å; R322-D324 WeakPolarHBondContact CB-OD1 3.4Å; R322-D324 IonicContact CZ-OD2 3.14Å; R322-D324 IonicContact NE-OD1 2.97Å; R322-D324 IonicContact NE-OD2 3.28Å; R322-D324 PolarHBondContact NE-OD2 3.43Å; R322-D324 IonicContact NH2-OD2 2.69Å; R322-D324 PolarHBondContact NH2-OD2 3.47Å; R322-D324 PolarHBondContact O-N 3.29Å; R322-G325 PolarHBondContact O-N 3.3Å; R322-F326 PolarHBondContact N-O 3.49Å; R322-F326 VanDerWaalsContact N-O 3.09Å; R322-M347 PolarHBondContact NH2-SD 2.88Å
323P59.8Low80.4Confident144 Ų14467.5 Ų67.594%0.93535%0.351SS*.THydrogen-bonded Turntrans-59.3-13.7175-24.735.2000115.1G325P323-G325 VanDerWaalsContact C-N 3.27Å
324D68.4Low80.5Confident71 Ų7165.8 Ų65.838%0.3835%0.347SS..THydrogen-bonded Turntrans-77.2-7.9173.461.412.1000113.7R322 F326R322-D324 WeakPolarHBondContact CB-OD1 3.4Å; R322-D324 IonicContact CZ-OD2 3.14Å; R322-D324 IonicContact NE-OD1 2.97Å; R322-D324 IonicContact NE-OD2 3.28Å; R322-D324 PolarHBondContact NE-OD2 3.43Å; R322-D324 IonicContact NH2-OD2 2.69Å; R322-D324 PolarHBondContact NH2-OD2 3.47Å; R322-D324 PolarHBondContact O-N 3.29Å; D324-F326 HydrophobicContact CB-CD2 4.27Å; D324-F326 WeakPolarHBondContact O-CD2 3.31Å; D324-F326 PolarHBondContact OD1-N 3.39Å
325G75.1Confident80.5Confident37 Ų3763.3 Ų63.338%0.38134%0.338SS..SBendtrans80.911.9-177.600000115R322 P323 P350R322-G325 PolarHBondContact O-N 3.3Å; P323-G325 VanDerWaalsContact C-N 3.27Å; G325-P350 WeakPolarHBondContact O-CD 3.39Å; G325-P350 WeakPolarHBondContact O-CG 3.18Å
326F79.3Confident80.3Confident53 Ų5361.7 Ų61.723%0.23234%0.337CS..  trans-108.9150.2177.1-69-94.9000112.5R322 D324 M347 L349R322-F326 PolarHBondContact N-O 3.49Å; R322-F326 VanDerWaalsContact N-O 3.09Å; D324-F326 HydrophobicContact CB-CD2 4.27Å; D324-F326 WeakPolarHBondContact O-CD2 3.31Å; D324-F326 PolarHBondContact OD1-N 3.39Å; F326-M347 HydrophobicContact CB-CB 4.37Å; F326-M347 HydrophobicContact CD1-CB 4.29Å; F326-L349 HydrophobicContact CD1-CD2 3.89Å; F326-L349 HydrophobicContact CD1-CG 4.32Å; F326-L349 HydrophobicContact CE1-CD2 3.44Å; F326-L349 VanDerWaalsContact CE1-CD2 3.44Å; F326-L349 HydrophobicContact CE1-CG 3.89Å; F326-L349 HydrophobicContact CE2-CD2 4.49Å; F326-L349 HydrophobicContact CZ-CD2 3.79Å
327V83.1Confident79.8Confident8 Ų862.1 Ų62.15%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-96.6122.3168.5-176.10000108.4Y318 A321 F329 V348 P350 M357Y318-V327 HydrophobicContact CD2-CG1 4.02Å; Y318-V327 HydrophobicContact CG-CG1 4.38Å; A321-V327 HydrophobicContact CB-CG2 4.34Å; V327-F329 HydrophobicContact CB-CE2 4.07Å; V327-F329 HydrophobicContact CG1-CD2 4Å; V327-F329 HydrophobicContact CG1-CE2 3.47Å; V327-F329 VanDerWaalsContact CG1-CE2 3.47Å; V327-F329 HydrophobicContact CG1-CZ 4.2Å; V327-V348 HydrophobicContact CB-CG2 4.34Å; V327-V348 PolarHBondContact N-O 3.06Å; V327-V348 PolarHBondContact O-N 3.06Å; V327-P350 HydrophobicContact CG2-CB 4.18Å; V327-M357 HydrophobicContact CB-SD 4.45Å; V327-M357 HydrophobicContact CG2-SD 3.8Å
328K86.6Confident79.6Confident65 Ų6557.9 Ų57.928%0.28333%0.33SS..EExtended strand (participates in β ladder)trans-93.5115.9-179.6-177.6-178.6-179178.20109.7Y318 S319Y318-K328 WeakPolarHBondContact CA-O 3.47Å; S319-K328 PolarHBondContact N-O 3.36Å
329F90.9Very high78.9Confident0 Ų059 Ų590%036%0.355CS..EExtended strand (participates in β ladder)trans-97.4130.5170.4-72.8-105.3000109L316 H317 Y318 V327 K345 V346 V348 M357 L358 A361L316-F329 HydrophobicContact CB-CD1 4.47Å; L316-F329 HydrophobicContact CD2-CD1 4.45Å; H317-F329 CarbonylContact O-C 3.57Å; H317-F329 WeakPolarHBondContact O-CA 3.47Å; Y318-F329 HydrophobicContact CD1-CD1 4.31Å; Y318-F329 AromaticContact CD1-CE1 3.65Å; Y318-F329 HydrophobicContact CD1-CE1 3.65Å; Y318-F329 HydrophobicContact CD1-CZ 4.04Å; Y318-F329 HydrophobicContact CG-CD1 4.39Å; Y318-F329 AromaticContact CG-CE1 3.89Å; Y318-F329 HydrophobicContact CG-CE1 3.89Å; Y318-F329 AromaticContact CG-CZ 3.96Å; Y318-F329 HydrophobicContact CG-CZ 3.96Å; V327-F329 HydrophobicContact CB-CE2 4.07Å; V327-F329 HydrophobicContact CG1-CD2 4Å; V327-F329 HydrophobicContact CG1-CE2 3.47Å; V327-F329 VanDerWaalsContact CG1-CE2 3.47Å; V327-F329 HydrophobicContact CG1-CZ 4.2Å; F329-K345 CarbonylContact O-C 3.54Å; F329-K345 VanDerWaalsContact O-CA 3.27Å; F329-K345 WeakPolarHBondContact O-CA 3.31Å; F329-V346 HydrophobicContact CB-CG1 3.74Å; F329-V346 PolarHBondContact N-O 2.9Å; F329-V346 PolarHBondContact O-N 2.94Å; F329-V348 HydrophobicContact CD2-CG2 3.71Å; F329-V348 HydrophobicContact CE2-CG2 3.38Å; F329-V348 HydrophobicContact CZ-CG2 4.44Å; F329-M357 HydrophobicContact CE2-CB 4.39Å; F329-M357 HydrophobicContact CZ-CB 4.12Å; F329-L358 HydrophobicContact CE1-CD1 3.83Å; F329-A361 HydrophobicContact CB-CB 4.4Å; F329-A361 HydrophobicContact CD1-CB 3.86Å; F329-A361 HydrophobicContact CD2-CB 3.96Å; F329-A361 HydrophobicContact CE1-CB 4.09Å; F329-A361 HydrophobicContact CE2-CB 4.2Å; F329-A361 HydrophobicContact CG-CB 3.8Å; F329-A361 HydrophobicContact CZ-CB 4.26Å
330T89.3Confident78.9Confident59 Ų5959.5 Ų59.536%0.36236%0.358SS..EExtended strand (participates in β ladder)trans-100.9132.1162.1-53.80000106.8H317 K345H317-T330 PolarHBondContact N-O 2.92Å; H317-T330 PolarHBondContact O-N 3.43Å; T330-K345 HydrophobicContact CG2-CG 4.13Å
331Y91.9Very high79.9Confident5 Ų554.4 Ų54.42%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-125.7150-172.870.1-102.6000112.2E315 V333 R343 G344 I365 Q368E315-Y331 WeakPolarHBondContact O-CA 3.26Å; Y331-V333 HydrophobicContact CD2-CG2 4.06Å; Y331-R343 WeakPolarHBondContact O-CA 3.46Å; Y331-G344 WeakPolarHBondContact CD1-O 3.42Å; Y331-G344 VanDerWaalsContact CZ-CA 3.48Å; Y331-G344 PolarHBondContact N-O 2.82Å; Y331-G344 PolarHBondContact O-N 2.85Å; Y331-I365 HydrophobicContact CD1-CD1 3.58Å; Y331-I365 HydrophobicContact CD1-CG1 3.49Å; Y331-I365 VanDerWaalsContact CD1-CG1 3.49Å; Y331-I365 HydrophobicContact CD1-CG2 4.31Å; Y331-I365 HydrophobicContact CD2-CG2 3.88Å; Y331-I365 HydrophobicContact CE1-CD1 4.35Å; Y331-I365 HydrophobicContact CE1-CG1 3.74Å; Y331-I365 HydrophobicContact CE1-CG2 4.3Å; Y331-I365 HydrophobicContact CE2-CG2 3.9Å; Y331-I365 HydrophobicContact CG-CD1 3.66Å; Y331-I365 HydrophobicContact CG-CG1 3.9Å; Y331-I365 HydrophobicContact CG-CG2 4.08Å; Y331-Q368 PolarHBondContact OH-OE1 2.79Å
332E90.7Very high81.1Confident52 Ų5252.9 Ų52.924%0.24332%0.318CS..EExtended strand (participates in β ladder)trans-130.4126.9164.1-177.6151.6-169.400107.9E315 T341 F342 R343E315-E332 HydrophobicContact CB-CB 4.43Å; E315-E332 PolarHBondContact N-O 3.06Å; E315-E332 PolarHBondContact O-N 3.33Å; E332-T341 HydrophobicContact CG-CG2 3.49Å; E332-T341 VanDerWaalsContact CG-CG2 3.49Å; E332-T341 VanDerWaalsContact OE1-CG2 3.25Å; E332-T341 WeakPolarHBondContact OE1-CG2 3.26Å; E332-F342 WeakPolarHBondContact CA-O 3.44Å; E332-R343 HydrophobicContact CB-CG 4.25Å; E332-R343 HydrophobicContact CG-CG 3.95Å; E332-R343 IonicContact OE1-CZ 2.67Å; E332-R343 IonicContact OE1-NE 2.84Å; E332-R343 PolarHBondContact OE1-NE 3.23Å; E332-R343 IonicContact OE1-NH2 3.28Å; E332-R343 PolarHBondContact OE1-NH2 3.11Å; E332-R343 IonicContact OE2-CZ 3.74Å; E332-R343 VanDerWaalsContact OE2-CZ 3.28Å; E332-R343 IonicContact OE2-NE 3.35Å; E332-R343 PolarHBondContact OE2-NE 3.48Å; E332-R343 IonicContact OE2-NH2 3.37Å; E332-R343 PolarHBondContact OE2-NH2 2.81Å
333V90.6Very high82.4Confident0 Ų056 Ų560%033%0.33CS..EExtended strand (participates in β ladder)trans-123.4118.6179.2-179.30000109.9P312 F313 Y314 Y331 I335 T341 F342 I365 L369P312-V333 HydrophobicContact CB-CG1 4.11Å; F313-V333 VanDerWaalsContact O-CA 3.27Å; F313-V333 WeakPolarHBondContact O-CA 3.33Å; F313-V333 WeakPolarHBondContact O-CG1 3.45Å; Y314-V333 HydrophobicContact CD1-CG1 4.47Å; Y314-V333 HydrophobicContact CD1-CG2 3.47Å; Y314-V333 VanDerWaalsContact CD1-CG2 3.47Å; Y314-V333 HydrophobicContact CE1-CG1 4.49Å; Y314-V333 HydrophobicContact CE1-CG2 3.91Å; Y314-V333 HydrophobicContact CG-CG2 4.09Å; Y331-V333 HydrophobicContact CD2-CG2 4.06Å; V333-I335 HydrophobicContact CG1-CG1 4.27Å; V333-T341 WeakPolarHBondContact O-CG2 3.49Å; V333-F342 HydrophobicContact CB-CB 4.45Å; V333-F342 PolarHBondContact N-O 3.4Å; V333-F342 PolarHBondContact O-N 2.63Å; V333-I365 HydrophobicContact CG2-CG2 3.85Å; V333-L369 HydrophobicContact CB-CD1 3.94Å; V333-L369 HydrophobicContact CG1-CD1 3.7Å; V333-L369 HydrophobicContact CG2-CD1 3.99Å
334L88.2Confident83.7Confident86 Ų8650.1 Ų50.145%0.4530%0.295SS..EExtended strand (participates in β ladder)trans-98.2129.4176.3-174.671.6000109.3P312 F313 T341P312-L334 WeakPolarHBondContact CA-O 3.11Å; F313-L334 HydrophobicContact CB-CB 4.46Å; F313-L334 PolarHBondContact N-O 2.78Å; F313-L334 PolarHBondContact O-N 3.33Å; L334-T341 HydrophobicContact CB-CG2 4.07Å; L334-T341 HydrophobicContact CD1-CG2 3.94Å
335I88.2Confident84.7Confident0 Ų053 Ų530%030%0.304CS..  trans-120.5110.4174.4-56.8-177.9000106.1F309 P312 V333 G337 I338 F342 M373F309-I335 HydrophobicContact CB-CG2 3.65Å; P312-I335 HydrophobicContact CB-CD1 4.46Å; P312-I335 HydrophobicContact CB-CG1 4.03Å; V333-I335 HydrophobicContact CG1-CG1 4.27Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.37Å; I335-G337 VanDerWaalsContact O-N 3.12Å; I335-I338 HydrophobicContact CB-CB 4.23Å; I335-I338 HydrophobicContact CB-CD1 4.04Å; I335-I338 HydrophobicContact CB-CG1 4.18Å; I335-I338 HydrophobicContact CD1-CD1 4.02Å; I335-I338 HydrophobicContact CG2-CB 4.47Å; I335-I338 HydrophobicContact CG2-CD1 3.84Å; I335-I338 HydrophobicContact CG2-CG1 3.93Å; I335-I338 PolarHBondContact O-N 3.37Å; I335-I338 VanDerWaalsContact O-O 3.08Å; I335-F342 HydrophobicContact CD1-CD2 4.2Å; I335-F342 HydrophobicContact CD1-CE2 3.92Å; I335-F342 HydrophobicContact CG1-CD2 4.49Å; I335-F342 HydrophobicContact CG1-CE2 4.43Å; I335-M373 HydrophobicContact CD1-SD 4.29Å
336P83.4Confident85.4Confident80 Ų8051.8 Ų51.852%0.51929%0.289SS..THydrogen-bonded Turntrans-53.7-37-164.7-31.535.9000116.6F309 Q311 F313 I338F309-P336 WeakPolarHBondContact O-CD 3.34Å; Q311-P336 WeakPolarHBondContact O-CD 3.27Å; F313-P336 HydrophobicContact CD2-CG 4.2Å; F313-P336 HydrophobicContact CE2-CG 3.84Å; P336-I338 VanDerWaalsContact C-N 3.34Å
337G79.3Confident85.9Confident42 Ų4254.5 Ų54.543%0.43330%0.304SS..THydrogen-bonded Turntrans-89.811.7177.600000114.9F309 I335F309-G337 PolarHBondContact O-N 2.9Å; I335-G337 VanDerWaalsContact C-N 3.31Å; I335-G337 PolarHBondContact O-N 3.37Å; I335-G337 VanDerWaalsContact O-N 3.12Å
338I81.8Confident86.1Confident31 Ų3154.6 Ų54.616%0.15931%0.305CS..SBendtrans-118.9117.3171.2-55.8-179.9000107.7F309 I335 P336 S340 F342 M373F309-I338 HydrophobicContact CB-CG1 4.22Å; F309-I338 HydrophobicContact CD1-CG1 4.06Å; F309-I338 HydrophobicContact CD2-CD1 3.77Å; F309-I338 HydrophobicContact CD2-CG1 3.95Å; F309-I338 HydrophobicContact CE1-CG1 4.38Å; F309-I338 HydrophobicContact CE2-CD1 4.03Å; F309-I338 HydrophobicContact CE2-CG1 4.28Å; F309-I338 HydrophobicContact CG-CD1 4.17Å; F309-I338 HydrophobicContact CG-CG1 3.85Å; F309-I338 HydrophobicContact CZ-CG1 4.48Å; I335-I338 HydrophobicContact CB-CB 4.23Å; I335-I338 HydrophobicContact CB-CD1 4.04Å; I335-I338 HydrophobicContact CB-CG1 4.18Å; I335-I338 HydrophobicContact CD1-CD1 4.02Å; I335-I338 HydrophobicContact CG2-CB 4.47Å; I335-I338 HydrophobicContact CG2-CD1 3.84Å; I335-I338 HydrophobicContact CG2-CG1 3.93Å; I335-I338 PolarHBondContact O-N 3.37Å; I335-I338 VanDerWaalsContact O-O 3.08Å; P336-I338 VanDerWaalsContact C-N 3.34Å; I338-S340 WeakPolarHBondContact CG2-OG 3.46Å; I338-S340 PolarHBondContact O-N 3.33Å; I338-F342 HydrophobicContact CD1-CE2 4.09Å; I338-F342 HydrophobicContact CD1-CZ 4.3Å; I338-F342 HydrophobicContact CG2-CE2 4.02Å; I338-F342 HydrophobicContact CG2-CZ 4.19Å; I338-M373 HydrophobicContact CD1-CE 3.83Å; I338-M373 HydrophobicContact CD1-SD 4.41Å
339S69.4Low85.8Confident138 Ų13856 Ų5697%0.96532%0.315SS*.SBendtrans-674.2-175.2-44.30000115.3
340S72.4Confident85.3Confident67 Ų6759.4 Ų59.447%0.46934%0.337SS..SBendtrans-125.2127.9-178.653.60000111.6I338I338-S340 WeakPolarHBondContact CG2-OG 3.46Å; I338-S340 PolarHBondContact O-N 3.33Å
341T84.8Confident84.6Confident56 Ų5657.8 Ų57.834%0.34433%0.332SS..  trans-83.1129.5176.6-29.90000110.5E332 V333 L334 R343E332-T341 HydrophobicContact CG-CG2 3.49Å; E332-T341 VanDerWaalsContact CG-CG2 3.49Å; E332-T341 VanDerWaalsContact OE1-CG2 3.25Å; E332-T341 WeakPolarHBondContact OE1-CG2 3.26Å; V333-T341 WeakPolarHBondContact O-CG2 3.49Å; L334-T341 HydrophobicContact CB-CG2 4.07Å; L334-T341 HydrophobicContact CD1-CG2 3.94Å; T341-R343 PolarHBondContact O-N 2.86Å
342F86.6Confident83.8Confident21 Ų2163.8 Ų63.89%0.09237%0.372CS..EExtended strand (participates in β ladder)trans-88109-176.7-63.8-93.3000110.9E332 V333 I335 I338 L369 M373E332-F342 WeakPolarHBondContact CA-O 3.44Å; V333-F342 HydrophobicContact CB-CB 4.45Å; V333-F342 PolarHBondContact N-O 3.4Å; V333-F342 PolarHBondContact O-N 2.63Å; I335-F342 HydrophobicContact CD1-CD2 4.2Å; I335-F342 HydrophobicContact CD1-CE2 3.92Å; I335-F342 HydrophobicContact CG1-CD2 4.49Å; I335-F342 HydrophobicContact CG1-CE2 4.43Å; I338-F342 HydrophobicContact CD1-CE2 4.09Å; I338-F342 HydrophobicContact CD1-CZ 4.3Å; I338-F342 HydrophobicContact CG2-CE2 4.02Å; I338-F342 HydrophobicContact CG2-CZ 4.19Å; F342-L369 HydrophobicContact CB-CD2 3.25Å; F342-L369 HydrophobicContact CD1-CD2 3.64Å; F342-L369 HydrophobicContact CD2-CD2 4.05Å; F342-L369 HydrophobicContact CE1-CD2 4.47Å; F342-L369 HydrophobicContact CG-CD2 3.38Å; F342-M373 HydrophobicContact CZ-CG 4.39Å
343R90.4Very high83.3Confident162 Ų16263.7 Ų63.761%0.61138%0.377SS*.EExtended strand (participates in β ladder)trans-102.6151.4176-60.9178.4-174-174.7-6.7111.4Y331 E332 T341 R372Y331-R343 WeakPolarHBondContact O-CA 3.46Å; E332-R343 HydrophobicContact CB-CG 4.25Å; E332-R343 HydrophobicContact CG-CG 3.95Å; E332-R343 IonicContact OE1-CZ 2.67Å; E332-R343 IonicContact OE1-NE 2.84Å; E332-R343 PolarHBondContact OE1-NE 3.23Å; E332-R343 IonicContact OE1-NH2 3.28Å; E332-R343 PolarHBondContact OE1-NH2 3.11Å; E332-R343 IonicContact OE2-CZ 3.74Å; E332-R343 VanDerWaalsContact OE2-CZ 3.28Å; E332-R343 IonicContact OE2-NE 3.35Å; E332-R343 PolarHBondContact OE2-NE 3.48Å; E332-R343 IonicContact OE2-NH2 3.37Å; E332-R343 PolarHBondContact OE2-NH2 2.81Å; T341-R343 PolarHBondContact O-N 2.86Å; R343-R372 PolarHBondContact O-NH1 3.16Å; R343-R372 VanDerWaalsContact O-NH1 3.13Å
344G87.9Confident82.8Confident20 Ų2067.2 Ų67.221%0.20640%0.398CS..EExtended strand (participates in β ladder)trans178.3-170.2177.200000114.2Y331Y331-G344 WeakPolarHBondContact CD1-O 3.42Å; Y331-G344 VanDerWaalsContact CZ-CA 3.48Å; Y331-G344 PolarHBondContact N-O 2.82Å; Y331-G344 PolarHBondContact O-N 2.85Å
345K89.2Confident82.4Confident130 Ų13071.7 Ų71.757%0.56541%0.409SS*.EExtended strand (participates in β ladder)trans-136.3143.5179.3-72.3160.1-176.5161.40108.9F329 T330F329-K345 CarbonylContact O-C 3.54Å; F329-K345 VanDerWaalsContact O-CA 3.27Å; F329-K345 WeakPolarHBondContact O-CA 3.31Å; T330-K345 HydrophobicContact CG2-CG 4.13Å
346V89.8Confident82Confident12 Ų1274.1 Ų74.17%0.07342%0.424CS..EExtended strand (participates in β ladder)trans-137.3149.217470.30000109.7F329 A361 A364 I365F329-V346 HydrophobicContact CB-CG1 3.74Å; F329-V346 PolarHBondContact N-O 2.9Å; F329-V346 PolarHBondContact O-N 2.94Å; V346-A361 HydrophobicContact CG1-CB 4.24Å; V346-A364 HydrophobicContact CG2-CB 3.62Å; V346-I365 HydrophobicContact CB-CG1 4.29Å; V346-I365 HydrophobicContact CG1-CD1 3.91Å; V346-I365 HydrophobicContact CG1-CG1 3.81Å
347M88.7Confident82.2Confident110 Ų11071.4 Ų71.454%0.54240%0.404SS..EExtended strand (participates in β ladder)trans-113.7129.2175.8-61.2-174.6-62.500108.1R322 F326R322-M347 PolarHBondContact NH2-SD 2.88Å; F326-M347 HydrophobicContact CB-CB 4.37Å; F326-M347 HydrophobicContact CD1-CB 4.29Å
348V87.3Confident82.5Confident11 Ų1172.2 Ų72.27%0.06740%0.398CS..EExtended strand (participates in β ladder)trans-126152.9175.2-590000109.8V327 F329 M357 E360 A361V327-V348 HydrophobicContact CB-CG2 4.34Å; V327-V348 PolarHBondContact N-O 3.06Å; V327-V348 PolarHBondContact O-N 3.06Å; F329-V348 HydrophobicContact CD2-CG2 3.71Å; F329-V348 HydrophobicContact CE2-CG2 3.38Å; F329-V348 HydrophobicContact CZ-CG2 4.44Å; V348-M357 HydrophobicContact CG2-CB 4.48Å; V348-E360 HydrophobicContact CB-CB 4.43Å; V348-E360 HydrophobicContact CG1-CB 4.19Å; V348-A361 HydrophobicContact CG1-CB 4.11Å
349L81.5Confident82.7Confident93 Ų9374 Ų7449%0.48741%0.406SS..  trans-69.6144.7173.5-70.7169.5000109.9F88 F326 G351F88-L349 HydrophobicContact CD1-CD1 4.35Å; F326-L349 HydrophobicContact CD1-CD2 3.89Å; F326-L349 HydrophobicContact CD1-CG 4.32Å; F326-L349 HydrophobicContact CE1-CD2 3.44Å; F326-L349 VanDerWaalsContact CE1-CD2 3.44Å; F326-L349 HydrophobicContact CE1-CG 3.89Å; F326-L349 HydrophobicContact CE2-CD2 4.49Å; F326-L349 HydrophobicContact CZ-CD2 3.79Å; L349-G351 PolarHBondContact O-N 3.46Å; L349-G351 VanDerWaalsContact O-N 3.11Å
350P80.3Confident83.7Confident72 Ų7271.6 Ų71.647%0.46838%0.38SS..  trans-61.8114.9173.224.1-32.6000110G325 V327 M357G325-P350 WeakPolarHBondContact O-CD 3.39Å; G325-P350 WeakPolarHBondContact O-CG 3.18Å; V327-P350 HydrophobicContact CG2-CB 4.18Å; P350-M357 HydrophobicContact CB-SD 4.3Å
351G74.6Confident84.5Confident26 Ų2668.4 Ų68.427%0.26836%0.358SS..  trans-86.7170176.500000112.2L349 S353L349-G351 PolarHBondContact O-N 3.46Å; L349-G351 VanDerWaalsContact O-N 3.11Å; G351-S353 PolarHBondContact O-N 3.28Å; G351-S353 VanDerWaalsContact O-N 3.1Å
352P75.4Confident84.7Confident130 Ų13068.4 Ų68.484%0.84435%0.353SS*.SBendtrans-67.3-8.9179.529.3-36.5000113.9
353S80.5Confident84.9Confident51 Ų5171.2 Ų71.236%0.35736%0.363SS..SBendtrans-153158.6171.671.10000111.5G351 R355 V356 M357G351-S353 PolarHBondContact O-N 3.28Å; G351-S353 VanDerWaalsContact O-N 3.1Å; S353-R355 PolarHBondContact O-N 3.48Å; S353-V356 PolarHBondContact O-N 2.98Å; S353-V356 PolarHBondContact OG-N 2.82Å; S353-M357 PolarHBondContact O-N 2.94Å
354V78.8Confident84.9Confident73 Ų7365 Ų6544%0.44235%0.347SS..Hα-helixtrans-57.4-37.5175.2-179.70000111.6Y318 V356 M357 L358Y318-V354 HydrophobicContact CE1-CG1 4.23Å; Y318-V354 WeakPolarHBondContact OH-CG1 3.09Å; V354-V356 PolarHBondContact O-N 3.02Å; V354-M357 HydrophobicContact CB-CE 4.32Å; V354-M357 HydrophobicContact CG2-CE 4.03Å; V354-M357 PolarHBondContact O-N 3.26Å; V354-L358 WeakPolarHBondContact O-CB 3.42Å; V354-L358 PolarHBondContact O-N 2.85Å
355R80.8Confident85.1Confident181 Ų18164.1 Ų64.168%0.68334%0.337SS*.Hα-helixtrans-59.4-47.5177180179.1167.5180-1.9112.1S353 M357 L358 E359S353-R355 PolarHBondContact O-N 3.48Å; R355-M357 VanDerWaalsContact C-N 3.33Å; R355-M357 PolarHBondContact O-N 3.34Å; R355-L358 PolarHBondContact O-N 2.9Å; R355-E359 IonicContact CZ-OE1 2.8Å; R355-E359 IonicContact NE-OE1 2.88Å; R355-E359 PolarHBondContact NE-OE1 2.97Å; R355-E359 IonicContact NH2-OE1 2.64Å; R355-E359 PolarHBondContact NH2-OE1 3.36Å; R355-E359 VanDerWaalsContact NH2-OE1 3.1Å; R355-E359 WeakPolarHBondContact O-CG 3.36Å; R355-E359 PolarHBondContact O-N 2.73Å
356V80.4Confident85.1Confident51 Ų5157.9 Ų57.931%0.30931%0.311SS..Hα-helixtrans-64-40.4178.4174.30000110.8S353 V354 L358 E359 E360S353-V356 PolarHBondContact O-N 2.98Å; S353-V356 PolarHBondContact OG-N 2.82Å; V354-V356 PolarHBondContact O-N 3.02Å; V356-L358 VanDerWaalsContact C-N 3.33Å; V356-L358 PolarHBondContact O-N 3.08Å; V356-E359 PolarHBondContact O-N 2.91Å; V356-E360 WeakPolarHBondContact O-CG 3.46Å; V356-E360 PolarHBondContact O-N 2.99Å
357M86.1Confident85.1Confident22 Ų2262 Ų6211%0.10833%0.329CS..Hα-helixtrans-62-39.5174.8-65.3-171.1-68.200112.7V327 F329 V348 P350 S353 V354 R355 A361V327-M357 HydrophobicContact CB-SD 4.45Å; V327-M357 HydrophobicContact CG2-SD 3.8Å; F329-M357 HydrophobicContact CE2-CB 4.39Å; F329-M357 HydrophobicContact CZ-CB 4.12Å; V348-M357 HydrophobicContact CG2-CB 4.48Å; P350-M357 HydrophobicContact CB-SD 4.3Å; S353-M357 PolarHBondContact O-N 2.94Å; V354-M357 HydrophobicContact CB-CE 4.32Å; V354-M357 HydrophobicContact CG2-CE 4.03Å; V354-M357 PolarHBondContact O-N 3.26Å; R355-M357 VanDerWaalsContact C-N 3.33Å; R355-M357 PolarHBondContact O-N 3.34Å; M357-A361 WeakPolarHBondContact O-CB 3.41Å; M357-A361 PolarHBondContact O-N 2.91Å
358L86.1Confident85.1Confident59 Ų5959.6 Ų59.631%0.30932%0.316SS..Hα-helixtrans-68.9-41.3178.5-163.772.7000111.8L316 F329 V354 R355 V356 A361 Q362L316-L358 HydrophobicContact CB-CD1 4.03Å; L316-L358 HydrophobicContact CD1-CD1 3.54Å; L316-L358 HydrophobicContact CD1-CG 4.19Å; L316-L358 HydrophobicContact CG-CD1 4.38Å; F329-L358 HydrophobicContact CE1-CD1 3.83Å; V354-L358 WeakPolarHBondContact O-CB 3.42Å; V354-L358 PolarHBondContact O-N 2.85Å; R355-L358 PolarHBondContact O-N 2.9Å; V356-L358 VanDerWaalsContact C-N 3.33Å; V356-L358 PolarHBondContact O-N 3.08Å; L358-A361 PolarHBondContact O-N 2.05Å; L358-Q362 WeakPolarHBondContact O-CB 3.06Å; L358-Q362 WeakPolarHBondContact O-CG 3.41Å; L358-Q362 PolarHBondContact O-N 3.44Å
359E86.9Confident85.1Confident70 Ų7059 Ų5933%0.32731%0.313SS..Hα-helixtrans-64-40.4175.4-72.5174.6-172.500111.6R355 V356 R363R355-E359 IonicContact CZ-OE1 2.8Å; R355-E359 IonicContact NE-OE1 2.88Å; R355-E359 PolarHBondContact NE-OE1 2.97Å; R355-E359 IonicContact NH2-OE1 2.64Å; R355-E359 PolarHBondContact NH2-OE1 3.36Å; R355-E359 VanDerWaalsContact NH2-OE1 3.1Å; R355-E359 WeakPolarHBondContact O-CG 3.36Å; R355-E359 PolarHBondContact O-N 2.73Å; V356-E359 PolarHBondContact O-N 2.91Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 3.49Å
360E88.5Confident85.4Confident87 Ų8755.2 Ų55.241%0.40729%0.293SS..Hα-helixtrans-65-43.6171.6-70.5-53.1142.400112.4V348 V356 R363 A364V348-E360 HydrophobicContact CB-CB 4.43Å; V348-E360 HydrophobicContact CG1-CB 4.19Å; V356-E360 WeakPolarHBondContact O-CG 3.46Å; V356-E360 PolarHBondContact O-N 2.99Å; E360-R363 PolarHBondContact O-N 2.93Å; E360-R363 IonicContact OE1-CZ 3.94Å; E360-R363 IonicContact OE1-NH1 3.6Å; E360-R363 PolarHBondContact OE1-NH1 3.13Å; E360-R363 IonicContact OE2-NH1 3.05Å; E360-R363 PolarHBondContact OE2-NH1 3Å; E360-A364 PolarHBondContact O-N 3.26Å
361A89.8Confident85.5Confident0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-61.7-48.1178.500000110.9F329 V346 V348 M357 L358 R363 A364 I365F329-A361 HydrophobicContact CB-CB 4.4Å; F329-A361 HydrophobicContact CD1-CB 3.86Å; F329-A361 HydrophobicContact CD2-CB 3.96Å; F329-A361 HydrophobicContact CE1-CB 4.09Å; F329-A361 HydrophobicContact CE2-CB 4.2Å; F329-A361 HydrophobicContact CG-CB 3.8Å; F329-A361 HydrophobicContact CZ-CB 4.26Å; V346-A361 HydrophobicContact CG1-CB 4.24Å; V348-A361 HydrophobicContact CG1-CB 4.11Å; M357-A361 WeakPolarHBondContact O-CB 3.41Å; M357-A361 PolarHBondContact O-N 2.91Å; L358-A361 PolarHBondContact O-N 2.05Å; A361-R363 VanDerWaalsContact C-N 3.31Å; A361-R363 PolarHBondContact O-N 3.08Å; A361-A364 PolarHBondContact O-N 2.76Å; A361-I365 WeakPolarHBondContact O-CB 3.27Å; A361-I365 WeakPolarHBondContact O-CD1 3.48Å; A361-I365 WeakPolarHBondContact O-CG1 3.22Å; A361-I365 PolarHBondContact O-N 2.69Å
362Q89.7Confident85.9Confident55 Ų5558.7 Ų58.726%0.25729%0.291SS..Hα-helixtrans-58.4-40.7175-76.1177.9-13.100112.2V297 Y314 L316 L358 I365 A366V297-Q362 HydrophobicContact CG2-CB 4.47Å; Y314-Q362 HydrophobicContact CD1-CG 4.26Å; L316-Q362 HydrophobicContact CD1-CG 3.7Å; L358-Q362 WeakPolarHBondContact O-CB 3.06Å; L358-Q362 WeakPolarHBondContact O-CG 3.41Å; L358-Q362 PolarHBondContact O-N 3.44Å; Q362-I365 PolarHBondContact O-N 3.27Å; Q362-A366 VanDerWaalsContact O-CB 3.3Å; Q362-A366 WeakPolarHBondContact O-CB 3.42Å; Q362-A366 PolarHBondContact O-N 3.03Å
363R90.6Very high86.1Confident80 Ų8053.4 Ų53.430%0.30226%0.256SS..Hα-helixtrans-62.8-46.9177.3-170.1178.9-60.9111.40.9112.2P296 V297 E359 E360 A361 A366 Q367P296-R363 HydrophobicContact CB-CG 4.16Å; P296-R363 HydrophobicContact CG-CG 3.81Å; V297-R363 HydrophobicContact CG2-CB 4.4Å; E359-R363 WeakPolarHBondContact O-CB 3.41Å; E359-R363 PolarHBondContact O-N 3.49Å; E360-R363 PolarHBondContact O-N 2.93Å; E360-R363 IonicContact OE1-CZ 3.94Å; E360-R363 IonicContact OE1-NH1 3.6Å; E360-R363 PolarHBondContact OE1-NH1 3.13Å; E360-R363 IonicContact OE2-NH1 3.05Å; E360-R363 PolarHBondContact OE2-NH1 3Å; A361-R363 VanDerWaalsContact C-N 3.31Å; A361-R363 PolarHBondContact O-N 3.08Å; R363-A366 PolarHBondContact O-N 2.95Å; R363-Q367 PolarHBondContact O-N 2.9Å; R363-Q367 VanDerWaalsContact O-N 3.1Å
364A90Very high85.8Confident33 Ų3355.4 Ų55.427%0.27326%0.258SS..Hα-helixtrans-68.3-35.3179.200000112.3V346 E360 A361 Q367 Q368V346-A364 HydrophobicContact CG2-CB 3.62Å; E360-A364 PolarHBondContact O-N 3.26Å; A361-A364 PolarHBondContact O-N 2.76Å; A364-Q367 PolarHBondContact O-N 3.08Å; A364-Q368 PolarHBondContact O-N 2.69Å; A364-Q368 VanDerWaalsContact O-N 3.1Å
365I92.2Very high85.2Confident0 Ų057.9 Ų57.90%027%0.265CS..Hα-helixtrans-67-48.2174-67.1163.6000110.7Y314 L316 Y331 V333 V346 A361 Q362 Q367 Q368 L369Y314-I365 HydrophobicContact CD1-CG2 4.26Å; Y314-I365 HydrophobicContact CE1-CB 4.41Å; Y314-I365 HydrophobicContact CE1-CG2 3.94Å; L316-I365 HydrophobicContact CD2-CD1 3.37Å; Y331-I365 HydrophobicContact CD1-CD1 3.58Å; Y331-I365 HydrophobicContact CD1-CG1 3.49Å; Y331-I365 VanDerWaalsContact CD1-CG1 3.49Å; Y331-I365 HydrophobicContact CD1-CG2 4.31Å; Y331-I365 HydrophobicContact CD2-CG2 3.88Å; Y331-I365 HydrophobicContact CE1-CD1 4.35Å; Y331-I365 HydrophobicContact CE1-CG1 3.74Å; Y331-I365 HydrophobicContact CE1-CG2 4.3Å; Y331-I365 HydrophobicContact CE2-CG2 3.9Å; Y331-I365 HydrophobicContact CG-CD1 3.66Å; Y331-I365 HydrophobicContact CG-CG1 3.9Å; Y331-I365 HydrophobicContact CG-CG2 4.08Å; V333-I365 HydrophobicContact CG2-CG2 3.85Å; V346-I365 HydrophobicContact CB-CG1 4.29Å; V346-I365 HydrophobicContact CG1-CD1 3.91Å; V346-I365 HydrophobicContact CG1-CG1 3.81Å; A361-I365 WeakPolarHBondContact O-CB 3.27Å; A361-I365 WeakPolarHBondContact O-CD1 3.48Å; A361-I365 WeakPolarHBondContact O-CG1 3.22Å; A361-I365 PolarHBondContact O-N 2.69Å; Q362-I365 PolarHBondContact O-N 3.27Å; I365-Q367 PolarHBondContact O-N 2.8Å; I365-Q368 WeakPolarHBondContact O-CB 3.36Å; I365-Q368 PolarHBondContact O-N 3.43Å; I365-L369 HydrophobicContact CG2-CD1 3.84Å; I365-L369 HydrophobicContact CG2-CG 4.17Å; I365-L369 WeakPolarHBondContact O-CG 3.41Å; I365-L369 PolarHBondContact O-N 3.25Å
366A90Very high84.1Confident0 Ų054.9 Ų54.90%026%0.262CS..Hα-helixtrans-57.4-36.9177.300000111.9P296 V297 L300 Q362 R363 L369 L370P296-A366 HydrophobicContact CB-CB 4.18Å; V297-A366 HydrophobicContact CB-CB 4.39Å; V297-A366 HydrophobicContact CG2-CB 3.98Å; L300-A366 HydrophobicContact CB-CB 4.27Å; L300-A366 HydrophobicContact CD2-CB 4.08Å; Q362-A366 VanDerWaalsContact O-CB 3.3Å; Q362-A366 WeakPolarHBondContact O-CB 3.42Å; Q362-A366 PolarHBondContact O-N 3.03Å; R363-A366 PolarHBondContact O-N 2.95Å; A366-L369 PolarHBondContact O-N 3.44Å; A366-L370 WeakPolarHBondContact O-CB 3.28Å; A366-L370 VanDerWaalsContact O-CG 3.28Å; A366-L370 WeakPolarHBondContact O-CG 3.35Å; A366-L370 PolarHBondContact O-N 3.08Å
367Q89.1Confident82.9Confident98 Ų9857.6 Ų57.646%0.45827%0.271SS..Hα-helixtrans-64.8-43.4173-174.3174.6-2100112.9P296 R363 A364 I365 Q371P296-Q367 HydrophobicContact CB-CB 4.13Å; P296-Q367 HydrophobicContact CG-CB 4.43Å; R363-Q367 PolarHBondContact O-N 2.9Å; R363-Q367 VanDerWaalsContact O-N 3.1Å; A364-Q367 PolarHBondContact O-N 3.08Å; I365-Q367 PolarHBondContact O-N 2.8Å; Q367-Q371 VanDerWaalsContact O-CG 3.29Å; Q367-Q371 WeakPolarHBondContact O-CG 3.31Å; Q367-Q371 PolarHBondContact O-N 3.08Å; Q367-Q371 VanDerWaalsContact O-N 3.09Å
368Q87.8Confident81Confident59 Ų5964.5 Ų64.528%0.27630%0.303SS..Hα-helixtrans-63.8-39174.5-71.8-177100112.4Y331 A364 I365 Q371 R372Y331-Q368 PolarHBondContact OH-OE1 2.79Å; A364-Q368 PolarHBondContact O-N 2.69Å; A364-Q368 VanDerWaalsContact O-N 3.1Å; I365-Q368 WeakPolarHBondContact O-CB 3.36Å; I365-Q368 PolarHBondContact O-N 3.43Å; Q368-Q371 PolarHBondContact O-N 3.34Å; Q368-R372 WeakPolarHBondContact O-CG 3.4Å; Q368-R372 PolarHBondContact O-N 3.46Å
369L88.2Confident78.9Confident0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-67.2-48.1178.8-66.5173.7000111.6L300 V333 F342 I365 A366 Q371 R372 M373L300-L369 HydrophobicContact CD1-CB 4.24Å; L300-L369 HydrophobicContact CD2-CB 4.05Å; L300-L369 HydrophobicContact CD2-CD1 3.66Å; V333-L369 HydrophobicContact CB-CD1 3.94Å; V333-L369 HydrophobicContact CG1-CD1 3.7Å; V333-L369 HydrophobicContact CG2-CD1 3.99Å; F342-L369 HydrophobicContact CB-CD2 3.25Å; F342-L369 HydrophobicContact CD1-CD2 3.64Å; F342-L369 HydrophobicContact CD2-CD2 4.05Å; F342-L369 HydrophobicContact CE1-CD2 4.47Å; F342-L369 HydrophobicContact CG-CD2 3.38Å; I365-L369 HydrophobicContact CG2-CD1 3.84Å; I365-L369 HydrophobicContact CG2-CG 4.17Å; I365-L369 WeakPolarHBondContact O-CG 3.41Å; I365-L369 PolarHBondContact O-N 3.25Å; A366-L369 PolarHBondContact O-N 3.44Å; L369-Q371 VanDerWaalsContact C-N 3.29Å; L369-Q371 PolarHBondContact O-N 3.45Å; L369-R372 PolarHBondContact O-N 3.5Å; L369-R372 VanDerWaalsContact O-N 3.14Å; L369-M373 WeakPolarHBondContact O-CG 3.41Å; L369-M373 PolarHBondContact O-N 3.03Å
370L87Confident76.5Confident13 Ų1369.6 Ų69.67%0.06837%0.366CS..Hα-helixtrans-54.1-46.6173.5-78.1167.7000111.3P296 L299 L300 V303 A366 R372 M373 F374P296-L370 WeakPolarHBondContact O-CD1 3.38Å; L299-L370 HydrophobicContact CB-CD1 3.95Å; L299-L370 HydrophobicContact CD2-CD1 3.9Å; L299-L370 HydrophobicContact CG-CD1 3.89Å; L299-L370 HydrophobicContact CG-CD2 4.15Å; L300-L370 HydrophobicContact CB-CD1 4.32Å; L300-L370 HydrophobicContact CB-CD2 4.21Å; L300-L370 HydrophobicContact CB-CG 4.05Å; L300-L370 HydrophobicContact CD1-CD2 4.05Å; L300-L370 HydrophobicContact CD1-CG 4.1Å; V303-L370 HydrophobicContact CB-CD2 4.27Å; V303-L370 HydrophobicContact CG2-CD2 3.86Å; A366-L370 WeakPolarHBondContact O-CB 3.28Å; A366-L370 VanDerWaalsContact O-CG 3.28Å; A366-L370 WeakPolarHBondContact O-CG 3.35Å; A366-L370 PolarHBondContact O-N 3.08Å; L370-R372 PolarHBondContact O-N 2.82Å; L370-M373 PolarHBondContact O-N 3.01Å; L370-F374 HydrophobicContact CB-CD2 4.48Å; L370-F374 HydrophobicContact CB-CE2 4.4Å; L370-F374 HydrophobicContact CD2-CE2 3.99Å; L370-F374 WeakPolarHBondContact O-CD2 3.3Å; L370-F374 PolarHBondContact O-N 2.82Å
371Q83.7Confident75.9Confident62 Ų6268.8 Ų68.829%0.2936%0.364SS..Hα-helixtrans-57.5-49.7175.8-74.6170.4-11.300111.6Q367 Q368 L369 M373 F374 H375Q367-Q371 VanDerWaalsContact O-CG 3.29Å; Q367-Q371 WeakPolarHBondContact O-CG 3.31Å; Q367-Q371 PolarHBondContact O-N 3.08Å; Q367-Q371 VanDerWaalsContact O-N 3.09Å; Q368-Q371 PolarHBondContact O-N 3.34Å; L369-Q371 VanDerWaalsContact C-N 3.29Å; L369-Q371 PolarHBondContact O-N 3.45Å; Q371-M373 PolarHBondContact O-N 2.76Å; Q371-F374 PolarHBondContact O-N 2.59Å; Q371-H375 PolarHBondContact O-N 3.11Å; Q371-H375 VanDerWaalsContact O-N 3.08Å; Q371-H375 PolarHBondContact O-ND1 2.89Å
372R83.1Confident75.2Confident108 Ų10872.4 Ų72.441%0.40838%0.383SS..Hα-helixtrans-61.1-43177.9-72.9178.3178.7174.50.2112.8R343 Q368 L369 L370 H375 N376R343-R372 PolarHBondContact O-NH1 3.16Å; R343-R372 VanDerWaalsContact O-NH1 3.13Å; Q368-R372 WeakPolarHBondContact O-CG 3.4Å; Q368-R372 PolarHBondContact O-N 3.46Å; L369-R372 PolarHBondContact O-N 3.5Å; L369-R372 VanDerWaalsContact O-N 3.14Å; L370-R372 PolarHBondContact O-N 2.82Å; R372-H375 PolarHBondContact O-N 2.85Å; R372-N376 PolarHBondContact O-N 3.23Å; R372-N376 VanDerWaalsContact O-N 3.14Å
373M78.5Confident74.4Confident19 Ų1973.3 Ų73.39%0.09439%0.39CS..Hα-helixtrans-64.5-42.4179.8-69.7176.370.400112.1L300 V303 F309 I335 I338 F342 L369 L370 Q371 N376 Q377L300-M373 HydrophobicContact CD1-SD 3.64Å; V303-M373 HydrophobicContact CG1-CE 3.77Å; F309-M373 HydrophobicContact CD2-CE 3.84Å; F309-M373 HydrophobicContact CE2-CE 3.73Å; I335-M373 HydrophobicContact CD1-SD 4.29Å; I338-M373 HydrophobicContact CD1-CE 3.83Å; I338-M373 HydrophobicContact CD1-SD 4.41Å; F342-M373 HydrophobicContact CZ-CG 4.39Å; L369-M373 WeakPolarHBondContact O-CG 3.41Å; L369-M373 PolarHBondContact O-N 3.03Å; L370-M373 PolarHBondContact O-N 3.01Å; Q371-M373 PolarHBondContact O-N 2.76Å; M373-N376 PolarHBondContact O-N 3.47Å; M373-Q377 PolarHBondContact O-N 3.23Å
374F73.8Confident73.5Confident94 Ų9472.9 Ų72.941%0.41240%0.395SS..Hα-helixtrans-70.5-31.3177.1-73.8-57.5000113.8V303 L370 Q371V303-F374 HydrophobicContact CG2-CZ 4.14Å; L370-F374 HydrophobicContact CB-CD2 4.48Å; L370-F374 HydrophobicContact CB-CE2 4.4Å; L370-F374 HydrophobicContact CD2-CE2 3.99Å; L370-F374 WeakPolarHBondContact O-CD2 3.3Å; L370-F374 PolarHBondContact O-N 2.82Å; Q371-F374 PolarHBondContact O-N 2.59Å
375H66.6Low72.4Confident125 Ų12575.4 Ų75.458%0.57940%0.403SS*.Hα-helixtrans-68.8-40.3174.2-76.472.6000111.6Q371 R372 Q377 Q378Q371-H375 PolarHBondContact O-N 3.11Å; Q371-H375 VanDerWaalsContact O-N 3.08Å; Q371-H375 PolarHBondContact O-ND1 2.89Å; R372-H375 PolarHBondContact O-N 2.85Å; H375-Q377 VanDerWaalsContact C-N 3.29Å; H375-Q377 PolarHBondContact O-N 3.37Å; H375-Q378 PolarHBondContact O-N 3.41Å; H375-Q378 VanDerWaalsContact O-N 3.14Å
376N58.8Low71.1Confident117 Ų11780.5 Ų80.563%0.62643%0.43SS*.Hα-helixtrans-67.1-28.6177.8-73.22.7000112.9R372 M373 Q378R372-N376 PolarHBondContact O-N 3.23Å; R372-N376 VanDerWaalsContact O-N 3.14Å; M373-N376 PolarHBondContact O-N 3.47Å; N376-Q378 VanDerWaalsContact C-N 3.28Å; N376-Q378 PolarHBondContact O-N 2.79Å
377Q54.8Low69.8Low108 Ų10886.2 Ų86.251%0.50546%0.461SS..THydrogen-bonded Turntrans-76.3-6.3173.6-80.9-172.5-22.800114.7M373 H375M373-Q377 PolarHBondContact O-N 3.23Å; H375-Q377 VanDerWaalsContact C-N 3.29Å; H375-Q377 PolarHBondContact O-N 3.37Å
378Q46.4Very low68.3Low168 Ų16885.3 Ų85.379%0.78546%0.461SS*.THydrogen-bonded Turntrans-103.2-2.7174.2-68-178.54.600113.1H375 N376H375-Q378 PolarHBondContact O-N 3.41Å; H375-Q378 VanDerWaalsContact O-N 3.14Å; N376-Q378 VanDerWaalsContact C-N 3.28Å; N376-Q378 PolarHBondContact O-N 2.79Å
379A42.5Very low66.6Low90 Ų9087.5 Ų87.574%0.74448%0.476SS*.  trans-112.18.2-17700000113.5
380A36.4Very low64.7Low146 Ų14695.5 Ų95.5100%1.20752%0.52SS*.  trans-131.9017700000109.4

Retrieved 380 of 380 residues in 661 ms (Link to these results)

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