A0A096MHQ1_POEFO Loading...

RuvB-like helicase

Proposed core component of the chromatin remodeling Ino80 complex which exhibits DNA- and nucleosome-activated ATPase activity and catalyzes ATP-dependent nucleosome sliding.

AlphaFold DB , UniProt , Accession A0A096MHQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M36.9Very low31.4Very low243 Ų243165.6 Ų165.6100%1.19784%0.839SS**  0117.60-103.3166.4166.100107.5I3M1-I3 PolarHBondContact O-N 3.33Å
2K28Very low31.7Very low215 Ų215162.8 Ų162.894%0.93584%0.837SS**  trans-77.8115.3173.2-95.8179.1172.5-179.60107E4K2-E4 PolarHBondContact O-N 2.73Å
3I30.8Very low32.5Very low167 Ų167163.8 Ų163.886%0.85684%0.836SS**  trans-67.9113.8173.9-62.5164.4000106.3M1M1-I3 PolarHBondContact O-N 3.33Å
4E30.8Very low34.1Very low177 Ų177169.6 Ų169.683%0.82784%0.842SS**  trans-85119.6164.4-91.1-173.3161.200108.2K2 V6K2-E4 PolarHBondContact O-N 2.73Å; E4-V6 PolarHBondContact O-N 2.81Å
5E27Very low35.8Very low172 Ų172163.9 Ų163.980%0.80482%0.815SS**  trans-64.9110.2175.3-155.5178.4-151.600108.4K7E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 3.2Å
6V34.3Very low38.1Very low137 Ų137157.4 Ų157.483%0.8379%0.794SS**  trans-69.290.7172.7-177.20000107E4 S8E4-V6 PolarHBondContact O-N 2.81Å; V6-S8 PolarHBondContact O-N 3.42Å
7K30.1Very low40.2Very low170 Ų170153.1 Ų153.174%0.73978%0.782SS**  trans-52.9116.3168.1-78.6-178.6177.6176.90107.1E5 T9E5-K7 VanDerWaalsContact C-N 3.25Å; E5-K7 PolarHBondContact O-N 3.2Å; K7-T9 PolarHBondContact O-N 2.89Å
8S29.1Very low42.5Very low97 Ų97147.8 Ų147.868%0.67875%0.754SS**  trans-37.6111.7168.1-179.90000107.9V6 T10V6-S8 PolarHBondContact O-N 3.42Å; S8-T10 PolarHBondContact O-N 2.82Å; S8-T10 PolarHBondContact O-OG1 3.43Å
9T33Very low44.5Very low133 Ų133142.2 Ų142.282%0.81673%0.729SS**  trans-74.567.2170.440.60000106.7K7 K11K7-T9 PolarHBondContact O-N 2.89Å; T9-K11 VanDerWaalsContact C-N 3.27Å; T9-K11 PolarHBondContact O-N 2.9Å
10T32.9Very low46.6Very low110 Ų110136.6 Ų136.668%0.67570%0.699SS**  trans-43.8106.8149.220.60000104.7S8 T12S8-T10 PolarHBondContact O-N 2.82Å; S8-T10 PolarHBondContact O-OG1 3.43Å; T10-T12 VanDerWaalsContact C-N 3.29Å; T10-T12 PolarHBondContact O-N 2.96Å
11K32.4Very low48.7Very low201 Ų201130.2 Ų130.287%0.87467%0.667SS**  trans-47.4104.6173.3-83.6178.1175.8172.10105.2T9 Q13T9-K11 VanDerWaalsContact C-N 3.27Å; T9-K11 PolarHBondContact O-N 2.9Å; K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.03Å
12T35.6Very low51.2Low132 Ų132125.5 Ų125.581%0.8164%0.64SS**  trans-61.4103.6177.623.10000104.7T10 R14T10-T12 VanDerWaalsContact C-N 3.29Å; T10-T12 PolarHBondContact O-N 2.96Å; T12-R14 PolarHBondContact O-N 3.43Å
13Q41.6Very low54.3Low176 Ų176115.3 Ų115.382%0.82260%0.596SS**  trans-54.6122176.3-76.7-175.2-6.100106K11 I15K11-Q13 VanDerWaalsContact C-N 3.31Å; K11-Q13 PolarHBondContact O-N 3.03Å; Q13-I15 PolarHBondContact O-N 2.86Å
14R54.4Low57.4Low245 Ų245107.3 Ų107.393%0.92556%0.555SS**  trans-52.5122175.1-73.6-178.2177.8175.9-1107.2T12 A16T12-R14 PolarHBondContact O-N 3.43Å; R14-A16 PolarHBondContact O-N 3.32Å
15I60.6Low60.5Low84 Ų8499.2 Ų99.243%0.43152%0.519SS..  trans-70.499.3-176-60.4174.8000107.6Q13 S19 T381 E382Q13-I15 PolarHBondContact O-N 2.86Å; I15-S19 WeakPolarHBondContact CG2-OG 3.49Å; I15-T381 VanDerWaalsContact CD1-O 3.31Å; I15-T381 WeakPolarHBondContact CD1-O 2.9Å; I15-T381 HydrophobicContact CG2-CG2 3.87Å; I15-E382 HydrophobicContact CD1-CB 4.43Å; I15-E382 HydrophobicContact CD1-CG 4.18Å; I15-E382 HydrophobicContact CG2-CG 4.01Å
16A72.6Confident63.8Low59 Ų5993.1 Ų93.149%0.48849%0.491SS..  trans-67.5157.4174.100000110.8R14 H18 S19 R378R14-A16 PolarHBondContact O-N 3.32Å; A16-H18 PolarHBondContact O-N 2.81Å; A16-S19 PolarHBondContact O-N 2.79Å; A16-S19 PolarHBondContact O-OG 2.85Å; A16-S19 VanDerWaalsContact O-OG 3.05Å; A16-R378 PolarHBondContact O-NH1 3.31Å; A16-R378 VanDerWaalsContact O-NH1 3.14Å
17S72.6Confident66.7Low84 Ų8489.3 Ų89.359%0.58747%0.467SS*.THydrogen-bonded Turntrans-58.4-19.3-179-51.90000113.9H20 R378S17-H20 PolarHBondContact O-CE1 2.88Å; S17-H20 PolarHBondContact O-ND1 2.96Å; S17-R378 PolarHBondContact O-NH1 3.36Å
18H81.6Confident69.6Low59 Ų5991.2 Ų91.227%0.27348%0.478SS..THydrogen-bonded Turntrans-122.914-178.9-59.2-63.8000114.4A16 H20 V21 L81A16-H18 PolarHBondContact O-N 2.81Å; H18-H20 PolarHBondContact O-N 2.91Å; H18-H20 VanDerWaalsContact O-N 3.11Å; H18-V21 HydrophobicContact CB-CG2 4.37Å; H18-V21 WeakPolarHBondContact O-CB 3.25Å; H18-V21 PolarHBondContact O-N 2.8Å; H18-L81 HydrophobicContact CB-CD2 3.55Å
19S81.5Confident72.6Confident41 Ų4190.5 Ų90.529%0.28748%0.478SS..THydrogen-bonded Turntrans-58.7-25.4180570000114.8I15 A16 V21 K22I15-S19 WeakPolarHBondContact CG2-OG 3.49Å; A16-S19 PolarHBondContact O-N 2.79Å; A16-S19 PolarHBondContact O-OG 2.85Å; A16-S19 VanDerWaalsContact O-OG 3.05Å; S19-V21 VanDerWaalsContact C-N 3.32Å; S19-K22 WeakPolarHBondContact O-CE 3.22Å; S19-K22 PolarHBondContact O-NZ 2.81Å
20H86.3Confident75.5Confident29 Ų2985.7 Ų85.713%0.13445%0.454CS..THydrogen-bonded Turntrans-73.4-19.817962.7-73.2000113.6S17 H18 G38 I377 R378 T381S17-H20 PolarHBondContact O-CE1 2.88Å; S17-H20 PolarHBondContact O-ND1 2.96Å; H18-H20 PolarHBondContact O-N 2.91Å; H18-H20 VanDerWaalsContact O-N 3.11Å; H20-G38 PolarHBondContact CD2-O 2.9Å; H20-G38 VanDerWaalsContact CD2-O 3.3Å; H20-G38 WeakPolarHBondContact O-CA 3.42Å; H20-I377 HydrophobicContact CB-CG2 4.17Å; H20-R378 PolarHBondContact ND1-NH1 3.45Å; H20-T381 HydrophobicContact CB-CG2 4.24Å; H20-T381 WeakPolarHBondContact CB-OG1 3.21Å
21V90.2Very high78.5Confident4 Ų484.3 Ų84.32%0.02444%0.443CS..  trans-79.5124-178.7-1780000109.5H18 S19 L39 A78 L81 A82H18-V21 HydrophobicContact CB-CG2 4.37Å; H18-V21 WeakPolarHBondContact O-CB 3.25Å; H18-V21 PolarHBondContact O-N 2.8Å; S19-V21 VanDerWaalsContact C-N 3.32Å; V21-L39 HydrophobicContact CG1-CD2 4.21Å; V21-L39 HydrophobicContact CG1-CG 4.38Å; V21-L39 HydrophobicContact CG2-CD2 4.11Å; V21-A78 HydrophobicContact CG2-CB 4.06Å; V21-L81 HydrophobicContact CB-CD2 4.33Å; V21-A82 HydrophobicContact CG1-CB 3.67Å
22K90.2Very high81.6Confident143 Ų14375.2 Ų75.262%0.62241%0.406SS*.  trans-121.2-3.5-176.8-58.7-59-179.1-161.80114.4S19 C37S19-K22 WeakPolarHBondContact O-CE 3.22Å; S19-K22 PolarHBondContact O-NZ 2.81Å; K22-C37 HydrophobicContact CB-CB 4.44Å; K22-C37 PolarHBondContact N-O 3.31Å
23G93.6Very high84.4Confident1 Ų174.6 Ų74.61%0.0139%0.391CS..SBendtrans160.5-179-177.800000111.3G25 C37 L39G23-G25 VanDerWaalsContact C-N 3.33Å; G23-C37 WeakPolarHBondContact O-CB 3.2Å; G23-L39 WeakPolarHBondContact O-CD1 3.4Å
24L95.6Very high86.8Confident0 Ų070.3 Ų70.30%037%0.372CS..  trans-78.1-19.2-178.8-72.1170.7000113L26 R46 C49 V53 A82 M83 E86L24-L26 HydrophobicContact CB-CD1 4.18Å; L24-L26 HydrophobicContact CB-CD2 4.48Å; L24-L26 HydrophobicContact CB-CG 3.9Å; L24-L26 HydrophobicContact CD1-CD1 4.34Å; L24-R46 VanDerWaalsContact O-CZ 3.24Å; L24-R46 PolarHBondContact O-NE 2.85Å; L24-R46 PolarHBondContact O-NH2 3.32Å; L24-C49 HydrophobicContact CD1-CB 3.93Å; L24-C49 HydrophobicContact CD2-CB 3.64Å; L24-C49 HydrophobicContact CG-CB 4.49Å; L24-V53 HydrophobicContact CD1-CG2 3.92Å; L24-A82 HydrophobicContact CD2-CB 3.65Å; L24-A82 HydrophobicContact CG-CB 4.09Å; L24-M83 HydrophobicContact CD1-CG 4.34Å; L24-M83 HydrophobicContact CD2-CG 4.28Å; L24-E86 HydrophobicContact CD1-CB 4.29Å; L24-E86 HydrophobicContact CD1-CG 4.22Å; L24-E86 HydrophobicContact CG-CB 4.45Å; L24-E86 PolarHBondContact N-OE2 3.13Å
25G95.3Very high88.7Confident6 Ų661.8 Ų61.86%0.06235%0.347CS..  trans65.540.4177.400000113.2G23 K33 R46G23-G25 VanDerWaalsContact C-N 3.33Å; G25-K33 PolarHBondContact O-N 2.96Å; G25-R46 PolarHBondContact O-NH2 3.23Å
26L96.6Very high90.3Very high44 Ų4458.7 Ų58.723%0.2333%0.334CS..BIsolated β-bridgetrans-87.7156.7176-53179.9000110.3L24 N31 A32 R46 E47 G50L24-L26 HydrophobicContact CB-CD1 4.18Å; L24-L26 HydrophobicContact CB-CD2 4.48Å; L24-L26 HydrophobicContact CB-CG 3.9Å; L24-L26 HydrophobicContact CD1-CD1 4.34Å; L26-N31 CarbonylContact C-O 3.56Å; L26-N31 WeakPolarHBondContact CA-O 3.47Å; L26-A32 HydrophobicContact CD2-CB 3.79Å; L26-R46 HydrophobicContact CD2-CB 4.09Å; L26-E47 HydrophobicContact CD2-CG 4.47Å; L26-G50 VanDerWaalsContact CD1-CA 3.48Å
27D95.1Very high91.2Very high58 Ų5858.9 Ų58.931%0.3133%0.331SS..  trans-83.2179.5166.169.818.4000111.8A29 G30 N31D27-A29 PolarHBondContact O-N 3.13Å; D27-A29 WeakPolarHBondContact OD1-CA 3.3Å; D27-A29 WeakPolarHBondContact OD1-CB 3.36Å; D27-A29 PolarHBondContact OD1-N 3.42Å; D27-G30 PolarHBondContact O-N 2.94Å; D27-G30 PolarHBondContact OD1-N 3.31Å; D27-N31 PolarHBondContact N-O 2.92Å; D27-N31 PolarHBondContact OD1-N 3.31Å; D27-N31 PolarHBondContact OD1-ND2 3.38Å; D27-N31 PolarHBondContact OD2-ND2 3Å
28E91.1Very high92.1Very high210 Ų21055.9 Ų55.998%0.98131%0.313SS*.THydrogen-bonded Turntrans-64.7-22.5179.9-63.8179.9178.800113.3G30E28-G30 VanDerWaalsContact C-N 3.32Å
29A93Very high92.7Very high82 Ų8253.6 Ų53.668%0.67830%0.303SS*.THydrogen-bonded Turntrans-87.2-4.9175.700000112.5D27D27-A29 PolarHBondContact O-N 3.13Å; D27-A29 WeakPolarHBondContact OD1-CA 3.3Å; D27-A29 WeakPolarHBondContact OD1-CB 3.36Å; D27-A29 PolarHBondContact OD1-N 3.42Å
30G92.9Very high93.3Very high31 Ų3152 Ų5232%0.3229%0.291SS..SBendtrans88.46.4-179.700000114.6D27 E28 E47D27-G30 PolarHBondContact O-N 2.94Å; D27-G30 PolarHBondContact OD1-N 3.31Å; E28-G30 VanDerWaalsContact C-N 3.32Å; G30-E47 WeakPolarHBondContact O-CG 3.48Å
31N96.3Very high93.8Very high81 Ų8150.6 Ų50.643%0.43329%0.285SS..PPolyproline II helixtrans-80.9142.6178.3-48.2-63.8000110.8L26 D27L26-N31 CarbonylContact C-O 3.56Å; L26-N31 WeakPolarHBondContact CA-O 3.47Å; D27-N31 PolarHBondContact N-O 2.92Å; D27-N31 PolarHBondContact OD1-N 3.31Å; D27-N31 PolarHBondContact OD1-ND2 3.38Å; D27-N31 PolarHBondContact OD2-ND2 3Å
32A96.3Very high94.1Very high11 Ų1151.2 Ų51.29%0.09129%0.287CS..BIsolated β-bridgetrans-79129.8179.200000111.8L26 E43 R46 E47L26-A32 HydrophobicContact CD2-CB 3.79Å; A32-E43 HydrophobicContact CB-CB 3.87Å; A32-E43 HydrophobicContact CB-CG 4.13Å; A32-R46 HydrophobicContact CB-CB 3.98Å; A32-E47 HydrophobicContact CB-CG 3.9Å; A32-E47 PolarHBondContact N-OE1 2.86Å
33K95.3Very high94.4Very high118 Ų11848 Ų4851%0.51328%0.275SS..PPolyproline II helixtrans-79.3134.4169.1-64.7179.1-178175.70110G25 T35 A36 R46G25-K33 PolarHBondContact O-N 2.96Å; K33-T35 PolarHBondContact O-N 3.39Å; K33-A36 HydrophobicContact CB-CB 3.91Å; K33-A36 HydrophobicContact CD-CB 4.45Å; K33-R46 VanDerWaalsContact O-CZ 3.27Å; K33-R46 PolarHBondContact O-NH1 2.82Å; K33-R46 PolarHBondContact O-NH2 2.82Å
34Q92.5Very high94.5Very high87 Ų8752.5 Ų52.541%0.40730%0.302SS..SBendtrans-46.8-37-178.8-177.461.832.800114.2V40 G41 E43 E370Q34-V40 CarbonylContact O-C 3.55Å; Q34-V40 WeakPolarHBondContact O-CA 3.27Å; Q34-G41 PolarHBondContact O-N 2.81Å; Q34-E43 PolarHBondContact OE1-OE1 2.96Å; Q34-E370 PolarHBondContact NE2-OE1 2.81Å
35T94.4Very high94.6Very high65 Ų6552.6 Ų52.640%0.39930%0.302SS..EExtended strand (participates in β ladder)trans-140.1113.8171.5-60.40000110K33 L39 V40 Q373 I377K33-T35 PolarHBondContact O-N 3.39Å; T35-L39 WeakPolarHBondContact CA-O 3.34Å; T35-V40 HydrophobicContact CG2-CG2 4.23Å; T35-Q373 HydrophobicContact CG2-CG 4.45Å; T35-I377 HydrophobicContact CG2-CD1 4.23Å
36A93.7Very high94.7Very high20 Ų2052.3 Ų52.317%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-160.2148.9178.300000111.3K33 G38 L39K33-A36 HydrophobicContact CB-CB 3.91Å; K33-A36 HydrophobicContact CD-CB 4.45Å; A36-G38 PolarHBondContact O-N 2.89Å; A36-L39 PolarHBondContact N-O 3.31Å; A36-L39 PolarHBondContact O-N 2.99Å
37C90.8Very high94.8Very high63 Ų6353 Ų5343%0.42630%0.302SS..THydrogen-bonded Turntrans51.930.7175.1-60.70000114.8K22 G23 L39K22-C37 HydrophobicContact CB-CB 4.44Å; K22-C37 PolarHBondContact N-O 3.31Å; G23-C37 WeakPolarHBondContact O-CB 3.2Å; C37-L39 VanDerWaalsContact C-N 3.29Å; C37-L39 PolarHBondContact O-N 2.72Å
38G91.1Very high94.9Very high20 Ų2051.7 Ų51.721%0.20630%0.299CS..THydrogen-bonded Turntrans80.9-0.7-178.600000115.3H20 A36H20-G38 PolarHBondContact CD2-O 2.9Å; H20-G38 VanDerWaalsContact CD2-O 3.3Å; H20-G38 WeakPolarHBondContact O-CA 3.42Å; A36-G38 PolarHBondContact O-N 2.89Å
39L94.8Very high95.1Very high12 Ų1241.7 Ų41.76%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-98.2148.7171.5-64.3178.9000111V21 G23 T35 A36 C37 R46 A78 L79 A82V21-L39 HydrophobicContact CG1-CD2 4.21Å; V21-L39 HydrophobicContact CG1-CG 4.38Å; V21-L39 HydrophobicContact CG2-CD2 4.11Å; G23-L39 WeakPolarHBondContact O-CD1 3.4Å; T35-L39 WeakPolarHBondContact CA-O 3.34Å; A36-L39 PolarHBondContact N-O 3.31Å; A36-L39 PolarHBondContact O-N 2.99Å; C37-L39 VanDerWaalsContact C-N 3.29Å; C37-L39 PolarHBondContact O-N 2.72Å; L39-R46 HydrophobicContact CD1-CG 4.09Å; L39-A78 HydrophobicContact CD2-CB 4.08Å; L39-L79 HydrophobicContact CD1-CD2 4.31Å; L39-A82 HydrophobicContact CD1-CB 3.81Å
40V95.6Very high95.3Very high7 Ų738.4 Ų38.44%0.04223%0.226CC..EExtended strand (participates in β ladder)trans-131.3131.9178-174.80000108.4Q34 T35 Y366 E370 Q373 I374 I377Q34-V40 CarbonylContact O-C 3.55Å; Q34-V40 WeakPolarHBondContact O-CA 3.27Å; T35-V40 HydrophobicContact CG2-CG2 4.23Å; V40-Y366 WeakPolarHBondContact O-CE1 3.14Å; V40-E370 HydrophobicContact CG1-CB 4.1Å; V40-E370 HydrophobicContact CG1-CG 4.11Å; V40-Q373 HydrophobicContact CG1-CB 4.03Å; V40-Q373 HydrophobicContact CG1-CG 4.04Å; V40-Q373 HydrophobicContact CG2-CB 4.35Å; V40-Q373 HydrophobicContact CG2-CG 3.86Å; V40-I374 HydrophobicContact CB-CD1 4.32Å; V40-I374 HydrophobicContact CB-CG1 3.69Å; V40-I374 HydrophobicContact CG1-CG1 4.33Å; V40-I374 HydrophobicContact CG2-CG1 3.79Å; V40-I377 HydrophobicContact CG2-CD1 3.44Å; V40-I377 VanDerWaalsContact CG2-CD1 3.44Å
41G95.2Very high95.3Very high0 Ų042.1 Ų42.10%024%0.238CC..SBendtrans61-145.3179.800000112.5Q34 E43 R46 E370Q34-G41 PolarHBondContact O-N 2.81Å; G41-E43 PolarHBondContact O-N 2.85Å; G41-R46 WeakPolarHBondContact O-CD 3.42Å; G41-R46 PolarHBondContact O-NH1 2.8Å; G41-E370 VanDerWaalsContact CA-OE1 3.23Å; G41-E370 WeakPolarHBondContact CA-OE1 3.31Å
42Q96.4Very high95.2Very high16 Ų1638.6 Ų38.68%0.07522%0.219CC..  trans47.539.5-175.1-61.7-64.3-30.800112.7T44 A45 R46 M364 Y366Q42-T44 PolarHBondContact O-N 2.78Å; Q42-A45 HydrophobicContact CB-CB 4.32Å; Q42-A45 PolarHBondContact O-N 2.8Å; Q42-A45 VanDerWaalsContact O-N 3.16Å; Q42-R46 HydrophobicContact CB-CG 4.5Å; Q42-R46 VanDerWaalsContact O-CG 3.31Å; Q42-R46 WeakPolarHBondContact O-CG 3.37Å; Q42-R46 PolarHBondContact O-N 2.87Å; Q42-M364 PolarHBondContact NE2-O 2.79Å; Q42-Y366 HydrophobicContact CG-CE1 3.59Å
43E96.3Very high95Very high77 Ų7738.2 Ų38.236%0.3622%0.215SC..Hα-helixtrans-56.3-53.4-168.9-63.5-177154.200111.7A32 Q34 G41 A45 R46 E47A32-E43 HydrophobicContact CB-CB 3.87Å; A32-E43 HydrophobicContact CB-CG 4.13Å; Q34-E43 PolarHBondContact OE1-OE1 2.96Å; G41-E43 PolarHBondContact O-N 2.85Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 3.5Å; E43-R46 WeakPolarHBondContact O-CB 3.33Å; E43-R46 PolarHBondContact O-N 2.89Å; E43-E47 VanDerWaalsContact O-CG 3.28Å; E43-E47 WeakPolarHBondContact O-CG 3.21Å; E43-E47 PolarHBondContact O-N 2.79Å
44T96.5Very high94.9Very high95 Ų9537.2 Ų37.258%0.58321%0.212SC*.Hα-helixtrans-59.3-38.217955.70000113.4Q42 A48Q42-T44 PolarHBondContact O-N 2.78Å; T44-A48 VanDerWaalsContact O-CB 3.3Å; T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.11Å
45A97.5Very high94.7Very high1 Ų135.1 Ų35.11%0.00820%0.203CC..Hα-helixtrans-71.3-37177.800000111.5Q42 E43 C49 L79 I361 T363Q42-A45 HydrophobicContact CB-CB 4.32Å; Q42-A45 PolarHBondContact O-N 2.8Å; Q42-A45 VanDerWaalsContact O-N 3.16Å; E43-A45 VanDerWaalsContact C-N 3.3Å; E43-A45 PolarHBondContact O-N 3.5Å; A45-C49 WeakPolarHBondContact O-CB 3.44Å; A45-C49 PolarHBondContact O-N 2.99Å; A45-C49 PolarHBondContact O-SG 3.14Å; A45-L79 HydrophobicContact CB-CD1 3.78Å; A45-I361 HydrophobicContact CB-CG2 3.77Å; A45-T363 HydrophobicContact CB-CG2 4.4Å
46R97.7Very high94.4Very high1 Ų133 Ų330%0.00419%0.189CC..Hα-helixtrans-69.1-42.1176.9-71.1164.364.4-161.4-6.9111.8L24 G25 L26 A32 K33 L39 G41 Q42 E43 C49 G50 L79L24-R46 VanDerWaalsContact O-CZ 3.24Å; L24-R46 PolarHBondContact O-NE 2.85Å; L24-R46 PolarHBondContact O-NH2 3.32Å; G25-R46 PolarHBondContact O-NH2 3.23Å; L26-R46 HydrophobicContact CD2-CB 4.09Å; A32-R46 HydrophobicContact CB-CB 3.98Å; K33-R46 VanDerWaalsContact O-CZ 3.27Å; K33-R46 PolarHBondContact O-NH1 2.82Å; K33-R46 PolarHBondContact O-NH2 2.82Å; L39-R46 HydrophobicContact CD1-CG 4.09Å; G41-R46 WeakPolarHBondContact O-CD 3.42Å; G41-R46 PolarHBondContact O-NH1 2.8Å; Q42-R46 HydrophobicContact CB-CG 4.5Å; Q42-R46 VanDerWaalsContact O-CG 3.31Å; Q42-R46 WeakPolarHBondContact O-CG 3.37Å; Q42-R46 PolarHBondContact O-N 2.87Å; E43-R46 WeakPolarHBondContact O-CB 3.33Å; E43-R46 PolarHBondContact O-N 2.89Å; R46-C49 CarbonylContact O-C 3.58Å; R46-C49 WeakPolarHBondContact O-CB 3.46Å; R46-C49 PolarHBondContact O-N 3.17Å; R46-G50 PolarHBondContact O-N 3.31Å; R46-L79 HydrophobicContact CG-CD2 3.51Å
47E97.7Very high94Very high59 Ų5938.3 Ų38.328%0.27621%0.205SC..Hα-helixtrans-61.6-47.2174.2-69.6170.2178.700110.7L26 G30 A32 E43 C49 G50 I51L26-E47 HydrophobicContact CD2-CG 4.47Å; G30-E47 WeakPolarHBondContact O-CG 3.48Å; A32-E47 HydrophobicContact CB-CG 3.9Å; A32-E47 PolarHBondContact N-OE1 2.86Å; E43-E47 VanDerWaalsContact O-CG 3.28Å; E43-E47 WeakPolarHBondContact O-CG 3.21Å; E43-E47 PolarHBondContact O-N 2.79Å; E47-C49 VanDerWaalsContact C-N 3.34Å; E47-C49 PolarHBondContact O-N 2.87Å; E47-G50 WeakPolarHBondContact O-CA 3.41Å; E47-G50 PolarHBondContact O-N 3.14Å; E47-I51 WeakPolarHBondContact O-CG1 3.4Å; E47-I51 PolarHBondContact O-N 3.25Å
48A97.4Very high93.9Very high30 Ų3038 Ų3825%0.24820%0.203CC..Hα-helixtrans-58.8-45.4174.200000111.6T44 G50 I51 I52 I361T44-A48 VanDerWaalsContact O-CB 3.3Å; T44-A48 WeakPolarHBondContact O-CB 3.39Å; T44-A48 PolarHBondContact O-N 3.11Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.19Å; A48-I51 PolarHBondContact O-N 3.37Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.28Å; A48-I361 HydrophobicContact CB-CD1 3.82Å; A48-I361 HydrophobicContact CB-CG1 3.97Å; A48-I361 HydrophobicContact CB-CG2 4.03Å
49C96.6Very high93.4Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-59.5-36.3173.1-75.80000112.4L24 A45 R46 E47 I52 V53 M83L24-C49 HydrophobicContact CD1-CB 3.93Å; L24-C49 HydrophobicContact CD2-CB 3.64Å; L24-C49 HydrophobicContact CG-CB 4.49Å; A45-C49 WeakPolarHBondContact O-CB 3.44Å; A45-C49 PolarHBondContact O-N 2.99Å; A45-C49 PolarHBondContact O-SG 3.14Å; R46-C49 CarbonylContact O-C 3.58Å; R46-C49 WeakPolarHBondContact O-CB 3.46Å; R46-C49 PolarHBondContact O-N 3.17Å; E47-C49 VanDerWaalsContact C-N 3.34Å; E47-C49 PolarHBondContact O-N 2.87Å; C49-I52 WeakPolarHBondContact O-CB 2.92Å; C49-I52 PolarHBondContact O-N 3.31Å; C49-V53 WeakPolarHBondContact O-CG2 3.34Å; C49-V53 PolarHBondContact O-N 3.37Å; C49-M83 HydrophobicContact CB-CG 3.69Å; C49-M83 HydrophobicContact CB-SD 3.9Å; C49-M83 PolarHBondContact SG-SD 2.84Å
50G95.8Very high92.8Very high13 Ų1352.3 Ų52.313%0.13426%0.259CS..Hα-helixtrans-62.4-45174.500000112.5L26 R46 E47 A48 I52 V53 E54L26-G50 VanDerWaalsContact CD1-CA 3.48Å; R46-G50 PolarHBondContact O-N 3.31Å; E47-G50 WeakPolarHBondContact O-CA 3.41Å; E47-G50 PolarHBondContact O-N 3.14Å; A48-G50 VanDerWaalsContact C-N 3.27Å; A48-G50 PolarHBondContact O-N 3.19Å; G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.88Å; G50-V53 PolarHBondContact O-N 3.23Å; G50-E54 PolarHBondContact O-N 2.85Å
51I94.8Very high92Very high109 Ų10952.9 Ų52.956%0.55926%0.262SS*.Hα-helixtrans-60.3-42.6173.8-62.9168.8000110.2E47 A48 V53 E54 M55E47-I51 WeakPolarHBondContact O-CG1 3.4Å; E47-I51 PolarHBondContact O-N 3.25Å; A48-I51 PolarHBondContact O-N 3.37Å; I51-V53 PolarHBondContact O-N 3.3Å; I51-E54 PolarHBondContact O-N 3.23Å; I51-M55 HydrophobicContact CG2-CG 4.4Å; I51-M55 HydrophobicContact CG2-SD 4.23Å; I51-M55 VanDerWaalsContact O-CG 3.3Å; I51-M55 WeakPolarHBondContact O-CG 3.46Å; I51-M55 PolarHBondContact O-N 3.33Å
52I93.7Very high90.9Very high6 Ų657.2 Ų57.23%0.03130%0.297CS..Hα-helixtrans-59.6-48.1174.7-62.4-58.3000111A48 C49 G50 E54 M55 I56 M61 V66 M83 M359 I361A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 3.28Å; C49-I52 WeakPolarHBondContact O-CB 2.92Å; C49-I52 PolarHBondContact O-N 3.31Å; G50-I52 VanDerWaalsContact C-N 3.29Å; G50-I52 PolarHBondContact O-N 2.88Å; I52-E54 PolarHBondContact O-N 2.96Å; I52-M55 HydrophobicContact CD1-SD 4.38Å; I52-M55 WeakPolarHBondContact O-CB 3.35Å; I52-M55 PolarHBondContact O-N 3.09Å; I52-M55 VanDerWaalsContact O-N 3.13Å; I52-I56 HydrophobicContact CG2-CD1 3.72Å; I52-I56 HydrophobicContact CG2-CG1 4.25Å; I52-I56 WeakPolarHBondContact O-CD1 3.45Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 3.05Å; I52-M61 HydrophobicContact CD1-CE 4.48Å; I52-M61 HydrophobicContact CD1-SD 4.45Å; I52-M61 HydrophobicContact CG2-CE 3.94Å; I52-M61 HydrophobicContact CG2-SD 4.4Å; I52-V66 HydrophobicContact CD1-CG2 3.99Å; I52-V66 HydrophobicContact CG1-CG2 4.07Å; I52-V66 HydrophobicContact CG2-CG2 3.93Å; I52-M83 HydrophobicContact CB-CE 3.91Å; I52-M83 HydrophobicContact CG2-CE 3.39Å; I52-M359 HydrophobicContact CD1-CE 3.24Å; I52-M359 HydrophobicContact CD1-SD 3.79Å; I52-I361 HydrophobicContact CG1-CD1 4.16Å
53V92.6Very high89.7Confident4 Ų457.8 Ų57.82%0.02431%0.308CS..Hα-helixtrans-56.3-41.3177.6169.30000111L24 C49 G50 I51 I56 R57 M83 E86 L87L24-V53 HydrophobicContact CD1-CG2 3.92Å; C49-V53 WeakPolarHBondContact O-CG2 3.34Å; C49-V53 PolarHBondContact O-N 3.37Å; G50-V53 PolarHBondContact O-N 3.23Å; I51-V53 PolarHBondContact O-N 3.3Å; V53-I56 WeakPolarHBondContact O-CB 3.23Å; V53-I56 PolarHBondContact O-N 2.82Å; V53-R57 WeakPolarHBondContact O-CG 3.48Å; V53-R57 PolarHBondContact O-N 2.83Å; V53-M83 HydrophobicContact CG2-CB 4.1Å; V53-M83 HydrophobicContact CG2-CG 4.17Å; V53-E86 HydrophobicContact CG1-CB 4.17Å; V53-E86 HydrophobicContact CG1-CG 3.87Å; V53-E86 HydrophobicContact CG2-CB 4.12Å; V53-E86 HydrophobicContact CG2-CG 4.38Å; V53-L87 HydrophobicContact CG1-CD2 3.96Å; V53-L87 HydrophobicContact CG1-CG 4.42Å; V53-L87 HydrophobicContact CG2-CG 4.49Å
54E91.3Very high89.1Confident97 Ų9759.6 Ų59.645%0.45331%0.311SS..Hα-helixtrans-69.5-39.2177.1-169.749.5-133.600112.5G50 I51 I52 I56 R57 S58G50-E54 PolarHBondContact O-N 2.85Å; I51-E54 PolarHBondContact O-N 3.23Å; I52-E54 PolarHBondContact O-N 2.96Å; E54-I56 PolarHBondContact O-N 3.02Å; E54-R57 PolarHBondContact O-N 2.97Å; E54-S58 VanDerWaalsContact O-CB 3.23Å; E54-S58 WeakPolarHBondContact O-CB 3.16Å; E54-S58 PolarHBondContact O-N 3.25Å; E54-S58 PolarHBondContact O-OG 2.84Å; E54-S58 PolarHBondContact OE1-OG 2.92Å
55M89.2Confident88.9Confident42 Ų4255.1 Ų55.121%0.20728%0.284CS..Hα-helixtrans-60.3-36172.5-71.2178.964.600112I51 I52 K59 K60 M61 M359I51-M55 HydrophobicContact CG2-CG 4.4Å; I51-M55 HydrophobicContact CG2-SD 4.23Å; I51-M55 VanDerWaalsContact O-CG 3.3Å; I51-M55 WeakPolarHBondContact O-CG 3.46Å; I51-M55 PolarHBondContact O-N 3.33Å; I52-M55 HydrophobicContact CD1-SD 4.38Å; I52-M55 WeakPolarHBondContact O-CB 3.35Å; I52-M55 PolarHBondContact O-N 3.09Å; I52-M55 VanDerWaalsContact O-N 3.13Å; M55-K59 PolarHBondContact O-N 3.11Å; M55-K60 PolarHBondContact O-N 3.27Å; M55-M61 HydrophobicContact CB-CG 3.74Å; M55-M61 HydrophobicContact CB-SD 3.8Å; M55-M61 HydrophobicContact CE-SD 3.75Å; M55-M61 HydrophobicContact SD-SD 4.3Å; M55-M359 HydrophobicContact CE-CE 4.1Å; M55-M359 HydrophobicContact CE-SD 4.26Å; M55-M359 HydrophobicContact SD-CE 4.42Å; M55-M359 HydrophobicContact SD-SD 4.39Å
56I87.4Confident88.8Confident20 Ų2055.1 Ų55.110%0.10328%0.284CS..Hα-helixtrans-66.6-52.1175.2-65.6162.3000110.2I52 V53 E54 S58 K59 M61 L87 I326I52-I56 HydrophobicContact CG2-CD1 3.72Å; I52-I56 HydrophobicContact CG2-CG1 4.25Å; I52-I56 WeakPolarHBondContact O-CD1 3.45Å; I52-I56 WeakPolarHBondContact O-CG1 3.38Å; I52-I56 PolarHBondContact O-N 3.05Å; V53-I56 WeakPolarHBondContact O-CB 3.23Å; V53-I56 PolarHBondContact O-N 2.82Å; E54-I56 PolarHBondContact O-N 3.02Å; I56-S58 PolarHBondContact O-N 3.49Å; I56-K59 WeakPolarHBondContact O-CA 3.4Å; I56-K59 PolarHBondContact O-N 3.03Å; I56-M61 HydrophobicContact CB-CG 4.38Å; I56-M61 HydrophobicContact CG1-CB 4.35Å; I56-M61 HydrophobicContact CG1-CG 3.6Å; I56-L87 HydrophobicContact CB-CD2 3.89Å; I56-L87 HydrophobicContact CD1-CD1 4.03Å; I56-L87 HydrophobicContact CD1-CD2 4.14Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I56-L87 HydrophobicContact CG2-CD2 3.49Å; I56-L87 VanDerWaalsContact CG2-CD2 3.49Å; I56-I326 HydrophobicContact CB-CD1 4.4Å; I56-I326 HydrophobicContact CD1-CB 4.41Å; I56-I326 HydrophobicContact CD1-CD1 3.53Å; I56-I326 HydrophobicContact CD1-CG1 3.68Å; I56-I326 HydrophobicContact CD1-CG2 3.98Å; I56-I326 HydrophobicContact CG1-CD1 3.91Å; I56-I326 HydrophobicContact CG1-CG1 3.85Å; I56-I326 HydrophobicContact CG2-CD1 3.6Å; I56-I326 HydrophobicContact CG2-CG1 4.25Å
57R86.5Confident88.8Confident132 Ų13255 Ų5550%0.49828%0.284SS..Hα-helixtrans-57.9-38.9178.5-72.7176.1177.4177.31.4111.6V53 E54 K59 E86V53-R57 WeakPolarHBondContact O-CG 3.48Å; V53-R57 PolarHBondContact O-N 2.83Å; E54-R57 PolarHBondContact O-N 2.97Å; R57-K59 PolarHBondContact O-N 2.92Å; R57-E86 PolarHBondContact NH2-O 2.9Å
58S87.4Confident88.9Confident56 Ų5652.2 Ų52.239%0.39227%0.27SS..THydrogen-bonded Turntrans-75.60.4174.7-72.40000114.6E54 I56 K60E54-S58 VanDerWaalsContact O-CB 3.23Å; E54-S58 WeakPolarHBondContact O-CB 3.16Å; E54-S58 PolarHBondContact O-N 3.25Å; E54-S58 PolarHBondContact O-OG 2.84Å; E54-S58 PolarHBondContact OE1-OG 2.92Å; I56-S58 PolarHBondContact O-N 3.49Å; S58-K60 PolarHBondContact O-N 2.91Å
59K81.4Confident88.8Confident193 Ų19351.1 Ų51.184%0.83926%0.261SS*.THydrogen-bonded Turntrans56.830.1-178.2-54.8-176.4-179.8-179.10114.4M55 I56 R57M55-K59 PolarHBondContact O-N 3.11Å; I56-K59 WeakPolarHBondContact O-CA 3.4Å; I56-K59 PolarHBondContact O-N 3.03Å; R57-K59 PolarHBondContact O-N 2.92Å
60K81.4Confident88.7Confident141 Ų14152 Ų5261%0.61327%0.271SS*.  trans-101.616.8-179.1-67.6-179.8-176.8173.50113.7M55 S58 R64M55-K60 PolarHBondContact O-N 3.27Å; S58-K60 PolarHBondContact O-N 2.91Å; K60-R64 PolarHBondContact O-NH1 2.83Å
61M78.9Confident88.5Confident19 Ų1953.8 Ų53.89%0.09428%0.279CS..  trans-98.52.9-177.1-78.4-66.3-69.400115.3I52 M55 I56 G63 R64 V66 M359I52-M61 HydrophobicContact CD1-CE 4.48Å; I52-M61 HydrophobicContact CD1-SD 4.45Å; I52-M61 HydrophobicContact CG2-CE 3.94Å; I52-M61 HydrophobicContact CG2-SD 4.4Å; M55-M61 HydrophobicContact CB-CG 3.74Å; M55-M61 HydrophobicContact CB-SD 3.8Å; M55-M61 HydrophobicContact CE-SD 3.75Å; M55-M61 HydrophobicContact SD-SD 4.3Å; I56-M61 HydrophobicContact CB-CG 4.38Å; I56-M61 HydrophobicContact CG1-CB 4.35Å; I56-M61 HydrophobicContact CG1-CG 3.6Å; M61-G63 PolarHBondContact O-N 2.75Å; M61-R64 HydrophobicContact CE-CB 4.34Å; M61-R64 PolarHBondContact O-N 2.9Å; M61-R64 VanDerWaalsContact O-N 3.13Å; M61-V66 HydrophobicContact CE-CG2 4.15Å; M61-M359 HydrophobicContact CE-CE 3.65Å; M61-M359 HydrophobicContact SD-CE 3.5Å; M61-M359 WeakPolarHBondContact SD-CE 3.36Å
62A72.2Confident88.2Confident90 Ų9052 Ų5274%0.74428%0.275SS*.THydrogen-bonded Turntrans-53.7130.1-176.600000112.3R64A62-R64 PolarHBondContact O-N 2.73Å
63G70.9Confident88Confident29 Ų2952.8 Ų52.830%0.29929%0.285SS..THydrogen-bonded Turntrans72.18.3177.700000115.8M61 L319M61-G63 PolarHBondContact O-N 2.75Å; G63-L319 WeakPolarHBondContact CA-O 3.27Å
64R83.9Confident87.9Confident115 Ų11552.7 Ų52.743%0.43429%0.285SS..  trans-112.7145.5-178.8-62.9179.1179.4137.4-2.8111.4K60 M61 A62 M359K60-R64 PolarHBondContact O-NH1 2.83Å; M61-R64 HydrophobicContact CE-CB 4.34Å; M61-R64 PolarHBondContact O-N 2.9Å; M61-R64 VanDerWaalsContact O-N 3.13Å; A62-R64 PolarHBondContact O-N 2.73Å; R64-M359 HydrophobicContact CB-CE 4.26Å
65A92.8Very high88Confident1 Ų148.8 Ų48.81%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-120.2164.9169.300000110.2L319 V327 F329 R357 V358 M359A65-L319 HydrophobicContact CB-CD1 4.15Å; A65-L319 HydrophobicContact CB-CD2 4.33Å; A65-V327 WeakPolarHBondContact CA-O 3.49Å; A65-V327 HydrophobicContact CB-CB 4.22Å; A65-F329 HydrophobicContact CB-CD2 4.07Å; A65-F329 HydrophobicContact CB-CE2 3.63Å; A65-R357 PolarHBondContact N-O 3.05Å; A65-V358 HydrophobicContact CB-CG2 4.04Å; A65-V358 CarbonylContact O-C 3.52Å; A65-V358 WeakPolarHBondContact O-CA 3.3Å; A65-M359 PolarHBondContact O-N 2.83Å
66V96.3Very high88.3Confident0 Ų047.5 Ų47.50%026%0.264CS..EExtended strand (participates in β ladder)trans-112.3140.8175.4-179.30000108.7I52 M61 L68 V327 V328 F329 M359 I361I52-V66 HydrophobicContact CD1-CG2 3.99Å; I52-V66 HydrophobicContact CG1-CG2 4.07Å; I52-V66 HydrophobicContact CG2-CG2 3.93Å; M61-V66 HydrophobicContact CE-CG2 4.15Å; V66-L68 HydrophobicContact CG1-CD2 4.21Å; V66-V327 PolarHBondContact N-O 2.96Å; V66-V328 HydrophobicContact CB-CG1 4.41Å; V66-V328 HydrophobicContact CB-CG2 4.32Å; V66-V328 HydrophobicContact CG1-CG1 4.46Å; V66-V328 CarbonylContact O-C 3.47Å; V66-V328 WeakPolarHBondContact O-CA 3.35Å; V66-F329 PolarHBondContact O-N 3.14Å; V66-M359 CarbonylContact C-O 3.57Å; V66-M359 WeakPolarHBondContact CA-O 3.37Å; V66-I361 HydrophobicContact CG1-CD1 3.79Å; V66-I361 HydrophobicContact CG1-CG1 4.23Å
67L97.6Very high88.5Confident0 Ų048 Ų480%027%0.268CS..EExtended strand (participates in β ladder)trans-118.7118.5169.8171.566.8000110A69 V304 F329 H348 I350 L355 V358 M359 I360 I361L67-A69 HydrophobicContact CG-CB 4.31Å; L67-V304 HydrophobicContact CD1-CG1 4.36Å; L67-F329 CarbonylContact C-O 3.11Å; L67-F329 WeakPolarHBondContact CA-O 3.48Å; L67-F329 HydrophobicContact CB-CB 4.44Å; L67-F329 HydrophobicContact CD1-CB 3.69Å; L67-H348 HydrophobicContact CD2-CB 4.18Å; L67-I350 HydrophobicContact CD1-CD1 4.17Å; L67-I350 HydrophobicContact CD2-CD1 4Å; L67-L355 HydrophobicContact CD2-CD1 4.21Å; L67-V358 HydrophobicContact CB-CG1 3.29Å; L67-M359 PolarHBondContact N-O 2.9Å; L67-I360 HydrophobicContact CB-CG1 4.36Å; L67-I360 HydrophobicContact CD2-CD1 4.33Å; L67-I360 HydrophobicContact CD2-CG1 4.13Å; L67-I360 HydrophobicContact CD2-CG2 4.28Å; L67-I360 HydrophobicContact CG-CG2 4.47Å; L67-I360 CarbonylContact O-C 3.54Å; L67-I360 WeakPolarHBondContact O-CA 3.38Å; L67-I361 PolarHBondContact O-N 2.86Å
68L98.1Very high88.9Confident0 Ų042 Ų420%025%0.246CC..EExtended strand (participates in β ladder)trans-86.4110.2167.5-56-178000108.5V66 K76 L79 A80 V328 F329 A330 S331 I361V66-L68 HydrophobicContact CG1-CD2 4.21Å; L68-K76 HydrophobicContact CB-CB 4Å; L68-K76 HydrophobicContact CB-CD 4.06Å; L68-K76 HydrophobicContact CB-CG 3.92Å; L68-K76 HydrophobicContact CD1-CB 4.17Å; L68-K76 WeakPolarHBondContact CD1-O 3.3Å; L68-K76 WeakPolarHBondContact O-CD 3.47Å; L68-L79 HydrophobicContact CD1-CB 4.12Å; L68-A80 HydrophobicContact CD1-CB 4.2Å; L68-V328 HydrophobicContact CD1-CG1 3.84Å; L68-V328 HydrophobicContact CG-CG1 3.86Å; L68-F329 PolarHBondContact N-O 2.77Å; L68-A330 WeakPolarHBondContact O-CA 3.23Å; L68-S331 PolarHBondContact O-N 2.96Å; L68-I361 WeakPolarHBondContact CA-O 3.49Å; L68-I361 HydrophobicContact CD2-CB 3.86Å; L68-I361 HydrophobicContact CD2-CD1 4.19Å; L68-I361 HydrophobicContact CD2-CG2 4.25Å
69A97Very high89.3Confident7 Ų739.5 Ų39.56%0.05823%0.229CC..EExtended strand (participates in β ladder)trans-115.6124.4-176.200000111.3L67 I360 I361 R362 T363L67-A69 HydrophobicContact CG-CB 4.31Å; A69-I360 HydrophobicContact CB-CG2 3.96Å; A69-I361 PolarHBondContact N-O 2.97Å; A69-R362 CarbonylContact O-C 3.57Å; A69-R362 VanDerWaalsContact O-CA 3.27Å; A69-R362 WeakPolarHBondContact O-CA 3.45Å; A69-T363 PolarHBondContact O-N 3.22Å
70G94.6Very high89.9Confident19 Ų1930.3 Ų30.320%0.19619%0.189CC..SBendtrans167.3175.2173.100000113.9K76 S331 N332 T363G70-K76 PolarHBondContact O-NZ 3.19Å; G70-S331 PolarHBondContact N-O 3Å; G70-S331 VanDerWaalsContact N-O 3.12Å; G70-N332 VanDerWaalsContact O-CA 3.31Å; G70-N332 WeakPolarHBondContact O-CA 3.41Å; G70-T363 WeakPolarHBondContact CA-OG1 3.38Å
71P91.3Very high90.4Very high49 Ų4925 Ų2532%0.31817%0.167SC..  trans-53.4157.9-176.1-25.533000113.8T74 K76 L365P71-T74 HydrophobicContact CB-CG2 3.85Å; P71-T74 HydrophobicContact CG-CG2 4.23Å; P71-T74 WeakPolarHBondContact O-CG2 3.47Å; P71-T74 PolarHBondContact O-OG1 3.41Å; P71-K76 PolarHBondContact O-NZ 2.6Å; P71-L365 HydrophobicContact CB-CD2 3.75Å; P71-L365 HydrophobicContact CG-CD2 3.88Å; P71-L365 HydrophobicContact CG-CG 4.24Å
72P88.4Confident91.2Very high71 Ų7124.1 Ų24.146%0.46116%0.162SC..THydrogen-bonded Turntrans-60.3145172.827.1-34.1000110.9T74P72-T74 VanDerWaalsContact C-N 3.35Å; P72-T74 PolarHBondContact O-N 2.92Å
73G88.3Confident92.2Very high24 Ų2419.8 Ų19.825%0.24713%0.127CC..THydrogen-bonded Turntrans78.210.5178.100000115.8Y366G73-Y366 WeakPolarHBondContact O-CE2 3.44Å
74T92.1Very high93.1Very high2 Ų218.5 Ų18.51%0.01211%0.113CC..SBendtrans-91.811.4-180550000114.7P71 P72 T363 M364 L365 Y366P71-T74 HydrophobicContact CB-CG2 3.85Å; P71-T74 HydrophobicContact CG-CG2 4.23Å; P71-T74 WeakPolarHBondContact O-CG2 3.47Å; P71-T74 PolarHBondContact O-OG1 3.41Å; P72-T74 VanDerWaalsContact C-N 3.35Å; P72-T74 PolarHBondContact O-N 2.92Å; T74-T363 WeakPolarHBondContact CB-OG1 3.49Å; T74-T363 PolarHBondContact OG1-OG1 2.63Å; T74-M364 WeakPolarHBondContact CB-O 3.49Å; T74-M364 WeakPolarHBondContact CG2-O 3.42Å; T74-L365 HydrophobicContact CG2-CD2 4.13Å; T74-Y366 PolarHBondContact O-OH 3.15Å
75G92.6Very high93.5Very high15 Ų1515.9 Ų15.916%0.15511%0.106CC..SBendtrans86.214.8172.800000116.8T77 A78 L79G75-T77 PolarHBondContact O-N 3.12Å; G75-A78 CarbonylContact O-C 3.43Å; G75-A78 WeakPolarHBondContact O-CA 3.45Å; G75-A78 WeakPolarHBondContact O-CB 3.34Å; G75-A78 PolarHBondContact O-N 2.94Å; G75-L79 WeakPolarHBondContact O-CG 3.39Å; G75-L79 PolarHBondContact O-N 3.22Å
76K94.9Very high93.4Very high15 Ų1519.1 Ų19.17%0.06512%0.121CC..Hα-helixtrans-50.1-54.1177.5-63.4-174.1-71.3-73.20113.4L68 G70 P71 A78 L79 A80 A330 T363L68-K76 HydrophobicContact CB-CB 4Å; L68-K76 HydrophobicContact CB-CD 4.06Å; L68-K76 HydrophobicContact CB-CG 3.92Å; L68-K76 HydrophobicContact CD1-CB 4.17Å; L68-K76 WeakPolarHBondContact CD1-O 3.3Å; L68-K76 WeakPolarHBondContact O-CD 3.47Å; G70-K76 PolarHBondContact O-NZ 3.19Å; P71-K76 PolarHBondContact O-NZ 2.6Å; K76-A78 VanDerWaalsContact C-N 3.26Å; K76-A78 PolarHBondContact O-N 2.9Å; K76-L79 PolarHBondContact O-N 3.5Å; K76-A80 PolarHBondContact O-N 3.03Å; K76-A330 HydrophobicContact CB-CB 4.19Å; K76-A330 HydrophobicContact CD-CB 4.03Å; K76-T363 HydrophobicContact CG-CG2 4.05Å
77T92.9Very high93Very high31 Ų3120.7 Ų20.719%0.1913%0.129CC..Hα-helixtrans-61.7-35.1177.1-42.20000112.3G75 L81 F300G75-T77 PolarHBondContact O-N 3.12Å; T77-L81 WeakPolarHBondContact O-CB 3.23Å; T77-L81 PolarHBondContact O-N 3.25Å; T77-F300 HydrophobicContact CG2-CD1 4.26Å; T77-F300 HydrophobicContact CG2-CE1 3.66Å; T77-F300 HydrophobicContact CG2-CZ 4.18Å
78A94.1Very high92.5Very high6 Ų621.9 Ų21.95%0.0514%0.141CC..Hα-helixtrans-67.6-40.517700000111.8V21 L39 G75 K76 L81 A82V21-A78 HydrophobicContact CG2-CB 4.06Å; L39-A78 HydrophobicContact CD2-CB 4.08Å; G75-A78 CarbonylContact O-C 3.43Å; G75-A78 WeakPolarHBondContact O-CA 3.45Å; G75-A78 WeakPolarHBondContact O-CB 3.34Å; G75-A78 PolarHBondContact O-N 2.94Å; K76-A78 VanDerWaalsContact C-N 3.26Å; K76-A78 PolarHBondContact O-N 2.9Å; A78-L81 PolarHBondContact O-N 3Å; A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 3.4Å; A78-A82 PolarHBondContact O-N 3.02Å
79L96.2Very high91.4Very high3 Ų328.7 Ų28.72%0.01618%0.177CC..Hα-helixtrans-64.6-44.1175.1-69.8170.9000111.7L39 A45 R46 L68 G75 K76 L81 A82 M83 T363L39-L79 HydrophobicContact CD1-CD2 4.31Å; A45-L79 HydrophobicContact CB-CD1 3.78Å; R46-L79 HydrophobicContact CG-CD2 3.51Å; L68-L79 HydrophobicContact CD1-CB 4.12Å; G75-L79 WeakPolarHBondContact O-CG 3.39Å; G75-L79 PolarHBondContact O-N 3.22Å; K76-L79 PolarHBondContact O-N 3.5Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.37Å; L79-A82 WeakPolarHBondContact O-CB 3.24Å; L79-A82 PolarHBondContact O-N 3.4Å; L79-M83 WeakPolarHBondContact O-CG 3.44Å; L79-M83 PolarHBondContact O-N 2.85Å; L79-T363 HydrophobicContact CD1-CG2 3.65Å
80A94.1Very high90.6Very high0 Ų033.7 Ų33.70%020%0.198CC..Hα-helixtrans-61.9-41.9176.700000112.1L68 K76 M83 A84 F93 F300 V328L68-A80 HydrophobicContact CD1-CB 4.2Å; K76-A80 PolarHBondContact O-N 3.03Å; A80-M83 PolarHBondContact O-N 3.1Å; A80-A84 PolarHBondContact O-N 2.82Å; A80-F93 HydrophobicContact CB-CE2 4.21Å; A80-F93 HydrophobicContact CB-CZ 4.48Å; A80-F300 HydrophobicContact CB-CB 4.37Å; A80-F300 HydrophobicContact CB-CD2 3.31Å; A80-F300 HydrophobicContact CB-CE2 3.71Å; A80-F300 HydrophobicContact CB-CG 3.92Å; A80-V328 HydrophobicContact CB-CG1 4.1Å
81L92.1Very high90.1Very high29 Ų2934 Ų3415%0.15220%0.196CC..Hα-helixtrans-65.8-41.4174.3-176.664.8000111.5H18 V21 T77 A78 L79 M83 A84 Q85 F93H18-L81 HydrophobicContact CB-CD2 3.55Å; V21-L81 HydrophobicContact CB-CD2 4.33Å; T77-L81 WeakPolarHBondContact O-CB 3.23Å; T77-L81 PolarHBondContact O-N 3.25Å; A78-L81 PolarHBondContact O-N 3Å; L79-L81 VanDerWaalsContact C-N 3.34Å; L79-L81 PolarHBondContact O-N 3.37Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.12Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-A84 VanDerWaalsContact O-N 3.15Å; L81-Q85 WeakPolarHBondContact O-CG 3.43Å; L81-Q85 PolarHBondContact O-N 2.82Å; L81-F93 HydrophobicContact CB-CE1 4.48Å; L81-F93 HydrophobicContact CB-CZ 4.25Å; L81-F93 HydrophobicContact CD1-CD1 3.69Å; L81-F93 HydrophobicContact CD1-CD2 4.49Å; L81-F93 HydrophobicContact CD1-CE1 3.85Å; L81-F93 HydrophobicContact CD1-CG 4.03Å; L81-F93 HydrophobicContact CD1-CZ 4.32Å
82A94.1Very high90Very high0 Ų032.9 Ų32.90%019%0.189CC..Hα-helixtrans-60.6-42176.900000111.9V21 L24 L39 A78 L79 A84 Q85 E86V21-A82 HydrophobicContact CG1-CB 3.67Å; L24-A82 HydrophobicContact CD2-CB 3.65Å; L24-A82 HydrophobicContact CG-CB 4.09Å; L39-A82 HydrophobicContact CD1-CB 3.81Å; A78-A82 VanDerWaalsContact O-CB 3.29Å; A78-A82 WeakPolarHBondContact O-CB 3.4Å; A78-A82 PolarHBondContact O-N 3.02Å; L79-A82 WeakPolarHBondContact O-CB 3.24Å; L79-A82 PolarHBondContact O-N 3.4Å; A82-A84 VanDerWaalsContact C-N 3.33Å; A82-A84 PolarHBondContact O-N 3.46Å; A82-Q85 PolarHBondContact O-N 3.04Å; A82-E86 WeakPolarHBondContact O-CB 3.36Å; A82-E86 PolarHBondContact O-N 2.84Å
83M93.6Very high90.1Very high0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-58.3-44.3172.7-70.7171.962.900111.7L24 C49 I52 V53 L79 A80 L81 E86 L87 V328L24-M83 HydrophobicContact CD1-CG 4.34Å; L24-M83 HydrophobicContact CD2-CG 4.28Å; C49-M83 HydrophobicContact CB-CG 3.69Å; C49-M83 HydrophobicContact CB-SD 3.9Å; C49-M83 PolarHBondContact SG-SD 2.84Å; I52-M83 HydrophobicContact CB-CE 3.91Å; I52-M83 HydrophobicContact CG2-CE 3.39Å; V53-M83 HydrophobicContact CG2-CB 4.1Å; V53-M83 HydrophobicContact CG2-CG 4.17Å; L79-M83 WeakPolarHBondContact O-CG 3.44Å; L79-M83 PolarHBondContact O-N 2.85Å; A80-M83 PolarHBondContact O-N 3.1Å; L81-M83 VanDerWaalsContact C-N 3.33Å; L81-M83 PolarHBondContact O-N 3.12Å; M83-E86 PolarHBondContact O-N 3.18Å; M83-L87 VanDerWaalsContact O-CG 3.32Å; M83-L87 WeakPolarHBondContact O-CG 3.43Å; M83-L87 PolarHBondContact O-N 2.99Å; M83-V328 HydrophobicContact CE-CG2 4.33Å
84A90.8Very high90.3Very high1 Ų131.6 Ų31.61%0.00817%0.171CC..Hα-helixtrans-64.1-41.8178.100000112.4A80 L81 A82 E86 L87 G88 F93 V298A80-A84 PolarHBondContact O-N 2.82Å; L81-A84 WeakPolarHBondContact O-CB 3.36Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-A84 VanDerWaalsContact O-N 3.15Å; A82-A84 VanDerWaalsContact C-N 3.33Å; A82-A84 PolarHBondContact O-N 3.46Å; A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 3.4Å; A84-L87 PolarHBondContact O-N 2.89Å; A84-G88 PolarHBondContact O-N 3.02Å; A84-G88 VanDerWaalsContact O-N 3.15Å; A84-F93 HydrophobicContact CB-CB 3.98Å; A84-F93 HydrophobicContact CB-CD2 3.6Å; A84-F93 HydrophobicContact CB-CE2 4.45Å; A84-F93 HydrophobicContact CB-CG 4.09Å; A84-V298 HydrophobicContact CB-CB 4.33Å; A84-V298 HydrophobicContact CB-CG2 4.06Å
85Q91.1Very high90.3Very high61 Ų6135 Ų3529%0.28519%0.193SC..Hα-helixtrans-62.3-39.1174.1-66.1-60.2-44.500111.9L81 A82 L87 G88L81-Q85 WeakPolarHBondContact O-CG 3.43Å; L81-Q85 PolarHBondContact O-N 2.82Å; A82-Q85 PolarHBondContact O-N 3.04Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.88Å; Q85-G88 WeakPolarHBondContact O-CA 3.14Å; Q85-G88 PolarHBondContact O-N 3.15Å; Q85-G88 VanDerWaalsContact O-N 3.1Å
86E91.4Very high90.4Very high68 Ų6834.5 Ų34.532%0.31819%0.186SC..Hα-helixtrans-67.2-33.2177.7-156.367.6-13200112.4L24 V53 R57 A82 M83 A84 G88L24-E86 HydrophobicContact CD1-CB 4.29Å; L24-E86 HydrophobicContact CD1-CG 4.22Å; L24-E86 HydrophobicContact CG-CB 4.45Å; L24-E86 PolarHBondContact N-OE2 3.13Å; V53-E86 HydrophobicContact CG1-CB 4.17Å; V53-E86 HydrophobicContact CG1-CG 3.87Å; V53-E86 HydrophobicContact CG2-CB 4.12Å; V53-E86 HydrophobicContact CG2-CG 4.38Å; R57-E86 PolarHBondContact NH2-O 2.9Å; A82-E86 WeakPolarHBondContact O-CB 3.36Å; A82-E86 PolarHBondContact O-N 2.84Å; M83-E86 PolarHBondContact O-N 3.18Å; A84-E86 VanDerWaalsContact C-N 3.31Å; A84-E86 PolarHBondContact O-N 3.4Å; E86-G88 VanDerWaalsContact C-N 3.26Å
87L88.4Confident90.4Very high34 Ų3435.9 Ų35.918%0.17820%0.196CC..Hα-helixtrans-69.1-28.7172.3-67.1166.7000111.9V53 I56 M83 A84 Q85 V91 V298 I326V53-L87 HydrophobicContact CG1-CD2 3.96Å; V53-L87 HydrophobicContact CG1-CG 4.42Å; V53-L87 HydrophobicContact CG2-CG 4.49Å; I56-L87 HydrophobicContact CB-CD2 3.89Å; I56-L87 HydrophobicContact CD1-CD1 4.03Å; I56-L87 HydrophobicContact CD1-CD2 4.14Å; I56-L87 HydrophobicContact CG2-CD1 4.42Å; I56-L87 HydrophobicContact CG2-CD2 3.49Å; I56-L87 VanDerWaalsContact CG2-CD2 3.49Å; M83-L87 VanDerWaalsContact O-CG 3.32Å; M83-L87 WeakPolarHBondContact O-CG 3.43Å; M83-L87 PolarHBondContact O-N 2.99Å; A84-L87 PolarHBondContact O-N 2.89Å; Q85-L87 VanDerWaalsContact C-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.88Å; L87-V91 HydrophobicContact CB-CB 4.26Å; L87-V91 HydrophobicContact CB-CG1 4.12Å; L87-V91 HydrophobicContact CB-CG2 3.89Å; L87-V91 HydrophobicContact CD1-CG1 4.44Å; L87-V298 HydrophobicContact CD1-CG2 3.67Å; L87-I326 HydrophobicContact CD1-CD1 3.76Å
88G86.3Confident90.4Very high25 Ų2534.4 Ų34.426%0.25819%0.187SC..  trans141.2154166.900000113.4A84 Q85 E86 K90 V91A84-G88 PolarHBondContact O-N 3.02Å; A84-G88 VanDerWaalsContact O-N 3.15Å; Q85-G88 WeakPolarHBondContact O-CA 3.14Å; Q85-G88 PolarHBondContact O-N 3.15Å; Q85-G88 VanDerWaalsContact O-N 3.1Å; E86-G88 VanDerWaalsContact C-N 3.26Å; G88-K90 PolarHBondContact O-N 2.92Å; G88-V91 WeakPolarHBondContact O-CB 3.45Å; G88-V91 WeakPolarHBondContact O-CG2 3.26Å; G88-V91 PolarHBondContact O-N 2.81Å
89N75.1Confident90.3Very high142 Ų14236.4 Ų36.476%0.75920%0.201SC*.THydrogen-bonded Turntrans-59.7-15.5-175.7-61.4-14.4000115.3
90K79.4Confident90.1Very high113 Ų11340.9 Ų40.949%0.49122%0.222SC..THydrogen-bonded Turntrans-108.46.4-179.7-64.2-175.7161.8-145.80113.2G88 R123 D237G88-K90 PolarHBondContact O-N 2.92Å; K90-R123 VanDerWaalsContact CD-NH2 3.33Å; K90-D237 WeakPolarHBondContact CD-OD2 3.42Å; K90-D237 IonicContact NZ-OD2 3.31Å; K90-D237 PolarHBondContact NZ-OD2 3.3Å
91V85.9Confident90.1Very high25 Ų2540.9 Ų40.915%0.15222%0.222CC..SBendtrans-80.5126.2177.1176.90000108.3L87 G88 F93 V295L87-V91 HydrophobicContact CB-CB 4.26Å; L87-V91 HydrophobicContact CB-CG1 4.12Å; L87-V91 HydrophobicContact CB-CG2 3.89Å; L87-V91 HydrophobicContact CD1-CG1 4.44Å; G88-V91 WeakPolarHBondContact O-CB 3.45Å; G88-V91 WeakPolarHBondContact O-CG2 3.26Å; G88-V91 PolarHBondContact O-N 2.81Å; V91-F93 PolarHBondContact O-N 3.21Å; V91-V295 HydrophobicContact CG2-CG1 4.11Å
92P87.9Confident90.2Very high26 Ų2644.6 Ų44.617%0.16923%0.234CC..  trans-60.2131.3178.5-23.733.8000111.5G297 V298P92-G297 CarbonylContact O-C 3.57Å; P92-G297 WeakPolarHBondContact O-CA 3.49Å; P92-V298 PolarHBondContact O-N 2.89Å
93F90.4Very high90Very high56 Ų5646.9 Ų46.925%0.24625%0.25CC..EExtended strand (participates in β ladder)trans-116.8113.9169.9179.6-104.9000108.6A80 L81 A84 V91 P95 V298 F300A80-F93 HydrophobicContact CB-CE2 4.21Å; A80-F93 HydrophobicContact CB-CZ 4.48Å; L81-F93 HydrophobicContact CB-CE1 4.48Å; L81-F93 HydrophobicContact CB-CZ 4.25Å; L81-F93 HydrophobicContact CD1-CD1 3.69Å; L81-F93 HydrophobicContact CD1-CD2 4.49Å; L81-F93 HydrophobicContact CD1-CE1 3.85Å; L81-F93 HydrophobicContact CD1-CG 4.03Å; L81-F93 HydrophobicContact CD1-CZ 4.32Å; A84-F93 HydrophobicContact CB-CB 3.98Å; A84-F93 HydrophobicContact CB-CD2 3.6Å; A84-F93 HydrophobicContact CB-CE2 4.45Å; A84-F93 HydrophobicContact CB-CG 4.09Å; V91-F93 PolarHBondContact O-N 3.21Å; F93-P95 HydrophobicContact CD1-CG 4.22Å; F93-P95 HydrophobicContact CE1-CB 3.85Å; F93-P95 HydrophobicContact CE1-CG 3.91Å; F93-P95 HydrophobicContact CZ-CB 4.31Å; F93-P95 VanDerWaalsContact O-CD 3.31Å; F93-P95 WeakPolarHBondContact O-CD 3.28Å; F93-V298 HydrophobicContact CD2-CB 4.02Å; F93-V298 HydrophobicContact CD2-CG1 4.05Å; F93-V298 HydrophobicContact CE2-CG1 4.13Å; F93-F300 HydrophobicContact CE2-CB 3.77Å; F93-F300 HydrophobicContact CE2-CG 4.5Å; F93-F300 HydrophobicContact CZ-CB 3.8Å; F93-F300 HydrophobicContact CZ-CD1 4.4Å; F93-F300 HydrophobicContact CZ-CG 4.22Å
94C92.8Very high89.8Confident12 Ų1252.8 Ų52.88%0.08129%0.292CS..EExtended strand (participates in β ladder)trans-112.595.8-178.4-173.80000109.3N115 R118 A119 V298 L299 F300C94-N115 PolarHBondContact SG-OD1 3.27Å; C94-N115 VanDerWaalsContact SG-OD1 3.39Å; C94-R118 HydrophobicContact CB-CB 4.46Å; C94-A119 HydrophobicContact CB-CB 3.95Å; C94-V298 PolarHBondContact N-O 2.75Å; C94-L299 HydrophobicContact CB-CD1 4.21Å; C94-F300 PolarHBondContact O-N 3.23Å
95P93.1Very high89.7Confident74 Ų7457.5 Ų57.548%0.48131%0.313SS..EExtended strand (participates in β ladder)trans-80.5135.717132-31.5000110.2F93 F300F93-P95 HydrophobicContact CD1-CG 4.22Å; F93-P95 HydrophobicContact CE1-CB 3.85Å; F93-P95 HydrophobicContact CE1-CG 3.91Å; F93-P95 HydrophobicContact CZ-CB 4.31Å; F93-P95 VanDerWaalsContact O-CD 3.31Å; F93-P95 WeakPolarHBondContact O-CD 3.28Å; P95-F300 CarbonylContact C-O 3.56Å; P95-F300 WeakPolarHBondContact CA-O 3.22Å; P95-F300 HydrophobicContact CB-CD1 4.27Å
96M93.4Very high89.7Confident3 Ų354.9 Ų54.92%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-138.8148.4168.965.8173.8-70.800110V101 L112 N115 L299 F300 V301 D302M96-V101 HydrophobicContact CE-CG1 3.66Å; M96-L112 HydrophobicContact CE-CD2 3.83Å; M96-L112 HydrophobicContact SD-CD2 4.23Å; M96-N115 HydrophobicContact SD-CB 3.87Å; M96-L299 HydrophobicContact CG-CD1 4.11Å; M96-L299 HydrophobicContact SD-CD1 3.95Å; M96-F300 PolarHBondContact N-O 3.01Å; M96-V301 HydrophobicContact CG-CB 4.26Å; M96-V301 HydrophobicContact CG-CG1 4.3Å; M96-V301 HydrophobicContact CG-CG2 3.85Å; M96-V301 CarbonylContact O-C 3.49Å; M96-V301 WeakPolarHBondContact O-CA 3.46Å; M96-V301 HydrophobicContact SD-CG2 3.91Å; M96-D302 PolarHBondContact O-N 3.37Å
97V94.4Very high89.8Confident45 Ų4557.6 Ų57.627%0.27331%0.312SS..EExtended strand (participates in β ladder)trans-92.3140.9168.4-174.10000109.2S99 E100 E303V97-S99 PolarHBondContact O-N 3.3Å; V97-E100 HydrophobicContact CB-CG 4.15Å; V97-E100 PolarHBondContact N-OE1 3.09Å; V97-E100 VanDerWaalsContact O-CB 3.25Å; V97-E100 WeakPolarHBondContact O-CB 3.29Å; V97-E100 WeakPolarHBondContact O-CG 3.4Å; V97-E100 PolarHBondContact O-N 3.12Å; V97-E303 HydrophobicContact CG1-CB 4.23Å; V97-E303 HydrophobicContact CG1-CG 4.39Å
98G92.9Very high90Very high0 Ų057.9 Ų57.90%031%0.312CS..G310 helixtrans-54.6-30.4-177.500000113.8E100 V101 D302 L307G98-E100 VanDerWaalsContact C-N 3.29Å; G98-E100 PolarHBondContact O-N 3.09Å; G98-V101 VanDerWaalsContact O-CG2 3.27Å; G98-V101 WeakPolarHBondContact O-CG2 3.37Å; G98-D302 PolarHBondContact N-O 3.34Å; G98-L307 VanDerWaalsContact O-CD2 3.3Å; G98-L307 WeakPolarHBondContact O-CD2 3.42Å
99S93.3Very high90.3Very high48 Ų4858.9 Ų58.934%0.33631%0.313SS..G310 helixtrans-71.8-16.1175.556.40000114.8V97 V101 Y102V97-S99 PolarHBondContact O-N 3.3Å; S99-V101 PolarHBondContact O-N 2.92Å; S99-Y102 WeakPolarHBondContact O-CD2 3.45Å; S99-Y102 PolarHBondContact O-N 3.11Å
100E92.6Very high91.1Very high97 Ų9752.8 Ų52.845%0.45328%0.28SS..G310 helixtrans-67.5-17.6-179.2-69.1176.5-146.700113.2V97 G98 Y102V97-E100 HydrophobicContact CB-CG 4.15Å; V97-E100 PolarHBondContact N-OE1 3.09Å; V97-E100 VanDerWaalsContact O-CB 3.25Å; V97-E100 WeakPolarHBondContact O-CB 3.29Å; V97-E100 WeakPolarHBondContact O-CG 3.4Å; V97-E100 PolarHBondContact O-N 3.12Å; G98-E100 VanDerWaalsContact C-N 3.29Å; G98-E100 PolarHBondContact O-N 3.09Å; E100-Y102 PolarHBondContact O-N 3.48Å
101V93.4Very high91.7Very high0 Ų047.6 Ų47.60%026%0.258CS..G310 helixtrans-65-21.8176.6-560000112.8M96 G98 S99 S103 K108 L112 L307M96-V101 HydrophobicContact CE-CG1 3.66Å; G98-V101 VanDerWaalsContact O-CG2 3.27Å; G98-V101 WeakPolarHBondContact O-CG2 3.37Å; S99-V101 PolarHBondContact O-N 2.92Å; V101-S103 PolarHBondContact O-N 3.42Å; V101-K108 HydrophobicContact CB-CB 4.04Å; V101-K108 HydrophobicContact CG2-CB 4.32Å; V101-K108 VanDerWaalsContact O-CA 3.23Å; V101-K108 WeakPolarHBondContact O-CA 3.48Å; V101-K108 VanDerWaalsContact O-CB 3.28Å; V101-K108 WeakPolarHBondContact O-CB 3.43Å; V101-L112 HydrophobicContact CG1-CD2 3.73Å; V101-L112 HydrophobicContact CG1-CG 3.89Å; V101-L307 HydrophobicContact CB-CD2 4.29Å; V101-L307 HydrophobicContact CG1-CD2 3.52Å; V101-L307 HydrophobicContact CG2-CD2 3.82Å
102Y93.1Very high92.1Very high107 Ų10746.4 Ų46.442%0.4225%0.251SS..  trans-81.2103.3178.1-60.4-68.5000109.8S99 E100 M306 D308S99-Y102 WeakPolarHBondContact O-CD2 3.45Å; S99-Y102 PolarHBondContact O-N 3.11Å; E100-Y102 PolarHBondContact O-N 3.48Å; Y102-M306 PolarHBondContact OH-O 2.99Å; Y102-D308 PolarHBondContact OH-OD2 3.22Å
103S90.5Very high92.3Very high47 Ų4746.9 Ų46.933%0.32925%0.251SS..  trans-125.3145.2176.9-175.60000111V101 E105 I106V101-S103 PolarHBondContact O-N 3.42Å; S103-E105 PolarHBondContact OG-N 3.27Å; S103-I106 WeakPolarHBondContact CB-O 3.5Å
104S89.8Confident92.4Very high125 Ų12544.8 Ų44.887%0.87424%0.242SC*.SBendtrans-82.9-15.2171.458.40000113.2
105E87.8Confident92.4Very high100 Ų10044.6 Ų44.647%0.46724%0.24SC..SBendtrans-99.3-34.8-173.5-63.4-172.5167.100112.7S103 K268S103-E105 PolarHBondContact OG-N 3.27Å; E105-K268 HydrophobicContact CB-CB 4.19Å; E105-K268 VanDerWaalsContact OE2-CB 3.28Å; E105-K268 WeakPolarHBondContact OE2-CB 3.21Å; E105-K268 WeakPolarHBondContact OE2-CG 3.2Å; E105-K268 PolarHBondContact OE2-N 3.11Å
106I91.3Very high92.4Very high6 Ų641.5 Ų41.53%0.03122%0.219CC..SBendtrans-136.2153.5-17656.4170.1000110.7S103 E110 V111 K268 E270S103-I106 WeakPolarHBondContact CB-O 3.5Å; I106-E110 HydrophobicContact CB-CB 4.45Å; I106-E110 HydrophobicContact CB-CG 4.3Å; I106-E110 HydrophobicContact CD1-CG 4.23Å; I106-V111 HydrophobicContact CD1-CG2 3.55Å; I106-V111 HydrophobicContact CG1-CG2 3.74Å; I106-K268 HydrophobicContact CD1-CB 4.41Å; I106-K268 HydrophobicContact CD1-CD 3.9Å; I106-K268 HydrophobicContact CG1-CD 4.32Å; I106-K268 HydrophobicContact CG2-CB 3.81Å; I106-E270 HydrophobicContact CB-CG 4.11Å; I106-E270 HydrophobicContact CG2-CG 3.8Å
107K93.3Very high92.3Very high124 Ų12441.7 Ų41.754%0.53922%0.22SC..  trans-60.9150175.4-70.2158.8-164.1145.90112.2T109 E110 V111 E270K107-T109 VanDerWaalsContact C-N 3.29Å; K107-T109 PolarHBondContact O-N 2.87Å; K107-E110 HydrophobicContact CB-CB 4.36Å; K107-E110 WeakPolarHBondContact O-CA 3.46Å; K107-E110 VanDerWaalsContact O-CB 3.29Å; K107-E110 WeakPolarHBondContact O-CB 3.13Å; K107-E110 PolarHBondContact O-N 3.03Å; K107-V111 PolarHBondContact O-N 3.5Å; K107-V111 VanDerWaalsContact O-N 3.08Å; K107-E270 VanDerWaalsContact CD-OE1 3.28Å; K107-E270 WeakPolarHBondContact CD-OE1 3.32Å; K107-E270 WeakPolarHBondContact CE-OE1 3.37Å; K107-E270 WeakPolarHBondContact CG-OE1 3.29Å; K107-E270 PolarHBondContact N-OE1 3.25Å; K107-E270 IonicContact NZ-OE1 3.51Å; K107-E270 IonicContact NZ-OE2 2.73Å; K107-E270 PolarHBondContact NZ-OE2 2.86Å
108K93.4Very high92.2Very high40 Ų4044.3 Ų44.317%0.17423%0.225CC..Hα-helixtrans-57.5-37.2175.261.4-173.5174.9177.80114.3V101 E110 V111 L112 D308 E310V101-K108 HydrophobicContact CB-CB 4.04Å; V101-K108 HydrophobicContact CG2-CB 4.32Å; V101-K108 VanDerWaalsContact O-CA 3.23Å; V101-K108 WeakPolarHBondContact O-CA 3.48Å; V101-K108 VanDerWaalsContact O-CB 3.28Å; V101-K108 WeakPolarHBondContact O-CB 3.43Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.89Å; K108-V111 PolarHBondContact O-N 3.29Å; K108-L112 PolarHBondContact O-N 3.13Å; K108-L112 VanDerWaalsContact O-N 3.08Å; K108-D308 IonicContact NZ-OD1 2.74Å; K108-D308 PolarHBondContact NZ-OD1 3.12Å; K108-D308 IonicContact NZ-OD2 2.84Å; K108-D308 PolarHBondContact NZ-OD2 3.31Å; K108-E310 WeakPolarHBondContact CE-OE2 3.41Å; K108-E310 IonicContact NZ-OE1 3.34Å; K108-E310 IonicContact NZ-OE2 3.77Å; K108-E310 PolarHBondContact NZ-OE2 3.48Å
109T91.9Very high92.1Very high47 Ų4744.3 Ų44.329%0.28823%0.225SC..Hα-helixtrans-66.6-31.7175.251.30000112K107 L112 M113 Y314K107-T109 VanDerWaalsContact C-N 3.29Å; K107-T109 PolarHBondContact O-N 2.87Å; T109-L112 PolarHBondContact O-N 3.42Å; T109-M113 WeakPolarHBondContact O-CB 3.35Å; T109-M113 PolarHBondContact O-N 2.97Å; T109-Y314 HydrophobicContact CG2-CD2 3.94Å; T109-Y314 HydrophobicContact CG2-CG 4.07Å
110E92.2Very high92Very high13 Ų1342.3 Ų42.36%0.06121%0.21CC..Hα-helixtrans-71-42175.1-178.862.2-173.300111.2I106 K107 K108 L112 M113 E114 E270 I271 R276I106-E110 HydrophobicContact CB-CB 4.45Å; I106-E110 HydrophobicContact CB-CG 4.3Å; I106-E110 HydrophobicContact CD1-CG 4.23Å; K107-E110 HydrophobicContact CB-CB 4.36Å; K107-E110 WeakPolarHBondContact O-CA 3.46Å; K107-E110 VanDerWaalsContact O-CB 3.29Å; K107-E110 WeakPolarHBondContact O-CB 3.13Å; K107-E110 PolarHBondContact O-N 3.03Å; K108-E110 VanDerWaalsContact C-N 3.28Å; K108-E110 PolarHBondContact O-N 2.89Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 2.95Å; E110-M113 PolarHBondContact O-N 2.89Å; E110-M113 VanDerWaalsContact O-N 3.13Å; E110-E114 WeakPolarHBondContact O-CG 3.13Å; E110-E114 PolarHBondContact O-N 2.81Å; E110-E270 HydrophobicContact CG-CB 4.26Å; E110-E270 HydrophobicContact CG-CG 4.23Å; E110-I271 PolarHBondContact OE1-N 3.18Å; E110-R276 IonicContact OE1-CZ 3.1Å; E110-R276 IonicContact OE1-NH1 3.92Å; E110-R276 IonicContact OE1-NH2 3.73Å; E110-R276 PolarHBondContact OE1-NH2 3.39Å; E110-R276 IonicContact OE2-CZ 3.43Å; E110-R276 IonicContact OE2-NH1 2.78Å; E110-R276 PolarHBondContact OE2-NH1 2.84Å; E110-R276 IonicContact OE2-NH2 3.24Å; E110-R276 PolarHBondContact OE2-NH2 2.83Å
111V93.5Very high91.9Very high5 Ų538 Ų383%0.0319%0.191CC..Hα-helixtrans-58-43.5173.3-178.90000111I106 K107 K108 N115I106-V111 HydrophobicContact CD1-CG2 3.55Å; I106-V111 HydrophobicContact CG1-CG2 3.74Å; K107-V111 PolarHBondContact O-N 3.5Å; K107-V111 VanDerWaalsContact O-N 3.08Å; K108-V111 PolarHBondContact O-N 3.29Å; V111-N115 PolarHBondContact O-N 3.04Å; V111-N115 PolarHBondContact O-ND2 2.9Å
112L93.5Very high91.8Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-61.5-47.5174.9-72.4172.3000110.8M96 V101 K108 T109 E110 E114 N115 F116 C311 Y314 L315M96-L112 HydrophobicContact CE-CD2 3.83Å; M96-L112 HydrophobicContact SD-CD2 4.23Å; V101-L112 HydrophobicContact CG1-CD2 3.73Å; V101-L112 HydrophobicContact CG1-CG 3.89Å; K108-L112 PolarHBondContact O-N 3.13Å; K108-L112 VanDerWaalsContact O-N 3.08Å; T109-L112 PolarHBondContact O-N 3.42Å; E110-L112 VanDerWaalsContact C-N 3.29Å; E110-L112 PolarHBondContact O-N 2.95Å; L112-E114 PolarHBondContact O-N 2.72Å; L112-N115 PolarHBondContact O-N 3Å; L112-N115 VanDerWaalsContact O-N 3.16Å; L112-F116 VanDerWaalsContact O-CD2 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.4Å; L112-F116 PolarHBondContact O-N 2.93Å; L112-C311 HydrophobicContact CD1-CB 3.8Å; L112-Y314 HydrophobicContact CB-CD1 3.98Å; L112-Y314 HydrophobicContact CB-CE1 3.9Å; L112-Y314 HydrophobicContact CD1-CD1 3.92Å; L112-L315 HydrophobicContact CD1-CG 4.32Å; L112-L315 HydrophobicContact CD2-CD2 4.3Å
113M91.8Very high91.7Very high35 Ų3535.4 Ų35.417%0.17218%0.181CC..Hα-helixtrans-62.2-40.8-179.4-16848.1172.900113T109 E110 N115 F116 R117 R276 Y314T109-M113 WeakPolarHBondContact O-CB 3.35Å; T109-M113 PolarHBondContact O-N 2.97Å; E110-M113 PolarHBondContact O-N 2.89Å; E110-M113 VanDerWaalsContact O-N 3.13Å; M113-N115 VanDerWaalsContact C-N 3.32Å; M113-N115 PolarHBondContact O-N 3.26Å; M113-F116 WeakPolarHBondContact O-CB 3.41Å; M113-F116 PolarHBondContact O-N 3.46Å; M113-F116 HydrophobicContact SD-CB 4.37Å; M113-R117 HydrophobicContact CE-CG 4.25Å; M113-R117 WeakPolarHBondContact O-CB 3.46Å; M113-R117 VanDerWaalsContact O-CG 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.24Å; M113-R117 PolarHBondContact O-N 3.1Å; M113-R117 HydrophobicContact SD-CG 4.4Å; M113-R276 VanDerWaalsContact CG-NH1 3.33Å; M113-Y314 VanDerWaalsContact CB-OH 3.22Å; M113-Y314 WeakPolarHBondContact CB-OH 3.46Å; M113-Y314 WeakPolarHBondContact CG-OH 3.12Å; M113-Y314 PolarHBondContact SD-OH 3.24Å
114E92.2Very high91.6Very high12 Ų1234.5 Ų34.56%0.05617%0.172CC..Hα-helixtrans-57.2-46173.7-74.9-175.3168.900111.1E110 L112 R117 R118E110-E114 WeakPolarHBondContact O-CG 3.13Å; E110-E114 PolarHBondContact O-N 2.81Å; L112-E114 PolarHBondContact O-N 2.72Å; E114-R117 PolarHBondContact O-N 3.29Å; E114-R118 VanDerWaalsContact O-CG 3.3Å; E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 2.96Å
115N93.3Very high91.6Very high8 Ų834 Ų344%0.04315%0.154CC..Hα-helixtrans-68.9-35.9179-73.6-63.8000112.6C94 M96 V111 L112 M113 R117 R118 A119 L299C94-N115 PolarHBondContact SG-OD1 3.27Å; C94-N115 VanDerWaalsContact SG-OD1 3.39Å; M96-N115 HydrophobicContact SD-CB 3.87Å; V111-N115 PolarHBondContact O-N 3.04Å; V111-N115 PolarHBondContact O-ND2 2.9Å; L112-N115 PolarHBondContact O-N 3Å; L112-N115 VanDerWaalsContact O-N 3.16Å; M113-N115 VanDerWaalsContact C-N 3.32Å; M113-N115 PolarHBondContact O-N 3.26Å; N115-R117 VanDerWaalsContact C-N 3.34Å; N115-R117 PolarHBondContact O-N 3.48Å; N115-R118 PolarHBondContact O-N 2.97Å; N115-A119 WeakPolarHBondContact O-CB 2.9Å; N115-A119 PolarHBondContact O-N 3.33Å; N115-L299 HydrophobicContact CB-CD1 3.84Å
116F92.9Very high91.5Very high9 Ų933.9 Ų33.94%0.03915%0.154CC..Hα-helixtrans-58.6-46.9169.6-92.9-106.8000111.2L112 M113 R118 A119 I120 L299 L315 A318 P325 V327L112-F116 VanDerWaalsContact O-CD2 3.31Å; L112-F116 WeakPolarHBondContact O-CD2 3.4Å; L112-F116 PolarHBondContact O-N 2.93Å; M113-F116 WeakPolarHBondContact O-CB 3.41Å; M113-F116 PolarHBondContact O-N 3.46Å; M113-F116 HydrophobicContact SD-CB 4.37Å; F116-R118 VanDerWaalsContact C-N 3.35Å; F116-R118 PolarHBondContact O-N 2.93Å; F116-A119 PolarHBondContact O-N 2.94Å; F116-I120 WeakPolarHBondContact O-CD1 3.16Å; F116-I120 WeakPolarHBondContact O-CG1 3.32Å; F116-I120 PolarHBondContact O-N 3.15Å; F116-L299 HydrophobicContact CD2-CD2 3.42Å; F116-L299 VanDerWaalsContact CD2-CD2 3.42Å; F116-L299 HydrophobicContact CE2-CD2 3.33Å; F116-L299 HydrophobicContact CG-CD2 4.14Å; F116-L299 HydrophobicContact CZ-CD2 4Å; F116-L315 HydrophobicContact CE2-CD2 3.37Å; F116-L315 HydrophobicContact CZ-CD2 3.66Å; F116-A318 HydrophobicContact CD1-CB 4.27Å; F116-A318 HydrophobicContact CE1-CB 3.72Å; F116-A318 HydrophobicContact CE2-CB 4.5Å; F116-A318 HydrophobicContact CZ-CB 3.84Å; F116-P325 VanDerWaalsContact CD1-CD 3.44Å; F116-P325 HydrophobicContact CD1-CG 3.79Å; F116-P325 HydrophobicContact CE1-CG 4.16Å; F116-P325 HydrophobicContact CG-CG 4.33Å; F116-V327 HydrophobicContact CE1-CG2 4.11Å; F116-V327 HydrophobicContact CZ-CG2 3.81Å
117R91.8Very high91.3Very high7 Ų737.6 Ų37.63%0.02618%0.177CC..Hα-helixtrans-65.9-34.5179.6-71.9-79.4-179.3162.1-4.8112.8M113 E114 N115 A119 I120 L240 H241 D244 N280M113-R117 HydrophobicContact CE-CG 4.25Å; M113-R117 WeakPolarHBondContact O-CB 3.46Å; M113-R117 VanDerWaalsContact O-CG 3.26Å; M113-R117 WeakPolarHBondContact O-CG 3.24Å; M113-R117 PolarHBondContact O-N 3.1Å; M113-R117 HydrophobicContact SD-CG 4.4Å; E114-R117 PolarHBondContact O-N 3.29Å; N115-R117 VanDerWaalsContact C-N 3.34Å; N115-R117 PolarHBondContact O-N 3.48Å; R117-A119 VanDerWaalsContact C-N 3.34Å; R117-I120 PolarHBondContact O-N 3.37Å; R117-L240 HydrophobicContact CB-CB 4.31Å; R117-L240 PolarHBondContact O-N 2.86Å; R117-H241 HydrophobicContact CB-CB 3.83Å; R117-H241 PolarHBondContact O-N 3Å; R117-D244 VanDerWaalsContact CD-OD2 3.29Å; R117-D244 WeakPolarHBondContact CD-OD2 3.44Å; R117-D244 WeakPolarHBondContact CG-OD2 3.26Å; R117-D244 IonicContact CZ-OD2 3.63Å; R117-D244 IonicContact NE-OD2 2.79Å; R117-D244 IonicContact NH1-OD1 3.41Å; R117-D244 IonicContact NH1-OD2 3.52Å; R117-N280 VanDerWaalsContact CZ-OD1 3.25Å; R117-N280 PolarHBondContact NH1-OD1 2.93Å; R117-N280 VanDerWaalsContact NH2-CG 3.35Å; R117-N280 PolarHBondContact NH2-ND2 3.44Å; R117-N280 PolarHBondContact NH2-OD1 3.19Å
118R92.3Very high90.9Very high100 Ų10033.6 Ų33.638%0.37716%0.16SC..Hα-helixtrans-68.5-33.4173.2-73.8173.1-178-174.8-0.9112.7C94 E114 N115 F116 I120 T239 H241C94-R118 HydrophobicContact CB-CB 4.46Å; E114-R118 VanDerWaalsContact O-CG 3.3Å; E114-R118 WeakPolarHBondContact O-CG 3.37Å; E114-R118 PolarHBondContact O-N 2.96Å; N115-R118 PolarHBondContact O-N 2.97Å; F116-R118 VanDerWaalsContact C-N 3.35Å; F116-R118 PolarHBondContact O-N 2.93Å; R118-I120 PolarHBondContact O-N 3.19Å; R118-T239 WeakPolarHBondContact O-CG2 3.36Å; R118-H241 HydrophobicContact CB-CB 4.38Å; R118-H241 HydrophobicContact CG-CB 3.54Å; R118-H241 PolarHBondContact NE-CD2 3.26Å; R118-H241 PolarHBondContact NE-NE2 2.88Å; R118-H241 VanDerWaalsContact NE-NE2 3.15Å; R118-H241 PolarHBondContact NH2-NE2 3.25Å
119A91.3Very high90.7Very high0 Ų034.9 Ų34.90%017%0.166CC..THydrogen-bonded Turntrans-78.2-5.2177.400000113.2C94 N115 F116 R117 G297 L299 P325C94-A119 HydrophobicContact CB-CB 3.95Å; N115-A119 WeakPolarHBondContact O-CB 2.9Å; N115-A119 PolarHBondContact O-N 3.33Å; F116-A119 PolarHBondContact O-N 2.94Å; R117-A119 VanDerWaalsContact C-N 3.34Å; A119-G297 CarbonylContact O-C 3.56Å; A119-G297 WeakPolarHBondContact O-CA 3.37Å; A119-G297 PolarHBondContact O-N 3.08Å; A119-L299 HydrophobicContact CB-CB 3.91Å; A119-P325 HydrophobicContact CB-CB 3.63Å; A119-P325 HydrophobicContact CB-CG 3.85Å
120I90.6Very high90.7Very high7 Ų732.6 Ų32.64%0.03615%0.152CC..EExtended strand (participates in β ladder)trans-108.2114.6176.9-58.1160000109.1F116 R117 R118 T239 L240 L294 I323 P325F116-I120 WeakPolarHBondContact O-CD1 3.16Å; F116-I120 WeakPolarHBondContact O-CG1 3.32Å; F116-I120 PolarHBondContact O-N 3.15Å; R117-I120 PolarHBondContact O-N 3.37Å; R118-I120 PolarHBondContact O-N 3.19Å; I120-T239 WeakPolarHBondContact O-CA 3.43Å; I120-L240 HydrophobicContact CB-CD1 3.84Å; I120-L240 HydrophobicContact CB-CG 4.06Å; I120-L240 HydrophobicContact CD1-CD1 3.99Å; I120-L240 HydrophobicContact CG2-CD1 3.53Å; I120-L240 HydrophobicContact CG2-CG 3.83Å; I120-L240 PolarHBondContact O-N 3.05Å; I120-L294 HydrophobicContact CG2-CD1 3.56Å; I120-L294 HydrophobicContact CG2-CD2 4.42Å; I120-L294 HydrophobicContact CG2-CG 4.08Å; I120-I323 WeakPolarHBondContact CD1-O 3.45Å; I120-P325 HydrophobicContact CG1-CB 4.2Å; I120-P325 HydrophobicContact CG1-CG 4.34Å
121G91.1Very high90.8Very high5 Ų534.3 Ų34.35%0.05216%0.158CC..EExtended strand (participates in β ladder)trans-92.2151.9176.100000112.1V238 V295G121-V238 CarbonylContact C-O 3.58Å; G121-V295 WeakPolarHBondContact CA-O 3.5Å; G121-V295 PolarHBondContact N-O 3.15Å; G121-V295 PolarHBondContact O-N 3.39Å
122L90.3Very high90.8Very high2 Ų235.1 Ų35.11%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-126.7116.8170.8-172.970.3000107.6I124 V238 L243 V283 I287 A292 L294L122-I124 HydrophobicContact CD2-CD1 4.14Å; L122-I124 HydrophobicContact CD2-CG1 4.07Å; L122-I124 HydrophobicContact CG-CG1 4.11Å; L122-V238 HydrophobicContact CB-CG2 4.03Å; L122-V238 HydrophobicContact CD2-CG2 4.43Å; L122-V238 PolarHBondContact N-O 3.34Å; L122-V238 PolarHBondContact O-N 3.44Å; L122-L243 HydrophobicContact CD2-CD1 4.1Å; L122-V283 HydrophobicContact CD1-CG1 3.86Å; L122-V283 HydrophobicContact CD2-CG1 4.18Å; L122-V283 HydrophobicContact CD2-CG2 4.11Å; L122-I287 HydrophobicContact CD1-CD1 4.41Å; L122-I287 HydrophobicContact CD1-CG1 4.33Å; L122-A292 HydrophobicContact CD1-CB 3.69Å; L122-A292 HydrophobicContact CD2-CB 4.33Å; L122-A292 HydrophobicContact CG-CB 3.97Å; L122-L294 HydrophobicContact CD1-CD1 4.35Å
123R90.5Very high90.9Very high51 Ų5135.1 Ų35.119%0.19216%0.162CC..EExtended strand (participates in β ladder)trans-94.7108.2175175.5167-67.3145.417.6108.9K90 K125 V235 D237 A292 E293 V295K90-R123 VanDerWaalsContact CD-NH2 3.33Å; R123-K125 HydrophobicContact CG-CG 4.38Å; R123-V235 HydrophobicContact CG-CG1 3.63Å; R123-D237 IonicContact CZ-OD1 3.31Å; R123-D237 VanDerWaalsContact CZ-OD1 3.31Å; R123-D237 IonicContact NE-OD1 3.98Å; R123-D237 PolarHBondContact NE-OD1 3.36Å; R123-D237 IonicContact NH2-OD1 2.91Å; R123-D237 PolarHBondContact NH2-OD1 3.2Å; R123-D237 IonicContact NH2-OD2 2.96Å; R123-A292 CarbonylContact O-C 3.56Å; R123-A292 VanDerWaalsContact O-CA 3.24Å; R123-A292 WeakPolarHBondContact O-CA 3.42Å; R123-E293 HydrophobicContact CB-CB 4.46Å; R123-E293 PolarHBondContact N-O 2.81Å; R123-E293 PolarHBondContact O-N 2.73Å; R123-V295 HydrophobicContact CB-CG2 4.04Å
124I89.9Confident91Very high28 Ų2833.9 Ų33.914%0.14416%0.156CC..EExtended strand (participates in β ladder)trans-94.5125.6177.2-55174000107.6L122 V235 Q236 V238 V291 A292L122-I124 HydrophobicContact CD2-CD1 4.14Å; L122-I124 HydrophobicContact CD2-CG1 4.07Å; L122-I124 HydrophobicContact CG-CG1 4.11Å; I124-V235 WeakPolarHBondContact O-CA 3.25Å; I124-Q236 PolarHBondContact N-O 3.48Å; I124-Q236 PolarHBondContact O-N 2.93Å; I124-V238 HydrophobicContact CD1-CG2 4.08Å; I124-V291 HydrophobicContact CG2-CG1 4.25Å; I124-A292 HydrophobicContact CG1-CB 4.11Å
125K89.3Confident91.2Very high116 Ų11633.3 Ų33.350%0.50415%0.153SC..EExtended strand (participates in β ladder)trans-110.2111.4174.6-62.4-177.2-173166.60107.7R123 V235 V291 E293R123-K125 HydrophobicContact CG-CG 4.38Å; K125-V235 HydrophobicContact CG-CG2 4.3Å; K125-V291 PolarHBondContact N-O 3.38Å; K125-E293 IonicContact NZ-OE2 3.64Å
126E85Confident91.2Very high96 Ų9635.8 Ų35.845%0.44917%0.168SC..EExtended strand (participates in β ladder)trans-121.4131.7-179.2-154.5177.2-155.800109.3K128 I234E126-K128 WeakPolarHBondContact OE2-CE 3.5Å; E126-K128 IonicContact OE2-NZ 2.95Å; E126-I234 PolarHBondContact N-O 3.43Å; E126-I234 PolarHBondContact O-N 3.17Å
127T86.5Confident91.2Very high85 Ų8538.5 Ų38.552%0.52118%0.181SC..EExtended strand (participates in β ladder)trans-93114.4173.4-57.90000108.1K231T127-K231 HydrophobicContact CG2-CB 4.03Å; T127-K231 HydrophobicContact CG2-CD 4.46Å; T127-K231 HydrophobicContact CG2-CG 4.42Å
128K85.2Confident91.2Very high40 Ų4040.3 Ų40.317%0.17419%0.191CC..EExtended strand (participates in β ladder)trans-103.5136.7177.7-59.6-148.3176.4-161.50110.5E126 V130 E194 K232 I234E126-K128 WeakPolarHBondContact OE2-CE 3.5Å; E126-K128 IonicContact OE2-NZ 2.95Å; K128-V130 HydrophobicContact CB-CG1 4.02Å; K128-E194 HydrophobicContact CD-CG 4.19Å; K128-E194 VanDerWaalsContact CD-OE1 3.26Å; K128-E194 WeakPolarHBondContact CD-OE1 3.36Å; K128-E194 WeakPolarHBondContact CE-OE1 3.34Å; K128-E194 VanDerWaalsContact NZ-CD 3.27Å; K128-E194 IonicContact NZ-OE1 3.9Å; K128-E194 PolarHBondContact NZ-OE1 3.47Å; K128-E194 IonicContact NZ-OE2 2.75Å; K128-E194 PolarHBondContact NZ-OE2 3.07Å; K128-E194 VanDerWaalsContact NZ-OE2 3.14Å; K128-K232 PolarHBondContact N-O 3.37Å; K128-K232 PolarHBondContact O-N 2.9Å; K128-I234 HydrophobicContact CB-CD1 4.11Å; K128-I234 HydrophobicContact CB-CG1 4.48Å; K128-I234 HydrophobicContact CD-CD1 3.57Å; K128-I234 HydrophobicContact CG-CD1 3.74Å; K128-I234 HydrophobicContact CG-CG1 4.17Å
129E90.4Very high91Very high66 Ų6638.2 Ų38.231%0.30819%0.19SC..EExtended strand (participates in β ladder)trans-83.2124.5167.4-74.4-172.5170.300108.8A195 K231E129-A195 HydrophobicContact CB-CB 3.76Å; E129-A195 WeakPolarHBondContact O-CB 3.41Å; E129-A195 PolarHBondContact O-N 2.9Å; E129-K231 HydrophobicContact CG-CG 3.96Å; E129-K231 WeakPolarHBondContact OE1-CE 3.46Å; E129-K231 IonicContact OE1-NZ 3.33Å; E129-K231 PolarHBondContact OE1-NZ 3.06Å
130V91.9Very high90.8Very high0 Ų040.5 Ų40.50%021%0.205CC..EExtended strand (participates in β ladder)trans-131.3138.3-169.6-520000110.9K128 Y192 I193 K230 K232K128-V130 HydrophobicContact CB-CG1 4.02Å; V130-Y192 HydrophobicContact CB-CD2 3.66Å; V130-Y192 HydrophobicContact CB-CE2 3.31Å; V130-Y192 HydrophobicContact CG1-CD2 4Å; V130-Y192 HydrophobicContact CG1-CE2 3.18Å; V130-Y192 HydrophobicContact CG2-CD2 4.46Å; V130-Y192 HydrophobicContact CG2-CE2 4.4Å; V130-I193 WeakPolarHBondContact CA-O 3.49Å; V130-K230 HydrophobicContact CG2-CD 4.48Å; V130-K230 HydrophobicContact CG2-CG 3.55Å; V130-K230 WeakPolarHBondContact CG2-O 3.44Å; V130-K230 PolarHBondContact N-O 3.21Å; V130-K230 PolarHBondContact O-N 3.4Å; V130-K232 HydrophobicContact CG1-CB 4.05Å; V130-K232 HydrophobicContact CG2-CB 3.87Å; V130-K232 HydrophobicContact CG2-CD 4.5Å
131Y93.3Very high90.5Very high49 Ų4941.7 Ų41.719%0.19221%0.213CC..EExtended strand (participates in β ladder)trans-103.1119.6166.2-65.6-86.9000108.2L170 Y192 I193 A195 V228 H229Y131-L170 HydrophobicContact CD1-CD1 3.49Å; Y131-L170 VanDerWaalsContact CD1-CD1 3.49Å; Y131-L170 HydrophobicContact CD1-CD2 3.84Å; Y131-L170 HydrophobicContact CD1-CG 4.31Å; Y131-L170 HydrophobicContact CD2-CD1 4.44Å; Y131-L170 HydrophobicContact CE1-CD1 4.03Å; Y131-L170 HydrophobicContact CE1-CD2 3.53Å; Y131-L170 HydrophobicContact CE1-CG 4.45Å; Y131-L170 HydrophobicContact CG-CD1 3.71Å; Y131-Y192 CarbonylContact O-C 3.55Å; Y131-Y192 WeakPolarHBondContact O-CA 3.3Å; Y131-I193 PolarHBondContact N-O 2.95Å; Y131-I193 PolarHBondContact O-N 3.13Å; Y131-A195 HydrophobicContact CD2-CB 4.26Å; Y131-A195 HydrophobicContact CE2-CB 3.86Å; Y131-V228 CarbonylContact C-O 3.51Å; Y131-V228 VanDerWaalsContact CA-O 3.27Å; Y131-V228 WeakPolarHBondContact CA-O 3.34Å; Y131-V228 HydrophobicContact CD1-CG1 4.43Å; Y131-H229 HydrophobicContact CD1-CB 3.85Å; Y131-H229 AromaticContact CD1-CD2 3.91Å; Y131-H229 HydrophobicContact CE1-CB 3.59Å; Y131-H229 AromaticContact CE1-CD2 3.47Å; Y131-H229 VanDerWaalsContact CE1-CD2 3.47Å; Y131-H229 WeakPolarHBondContact CE1-CD2 3.35Å; Y131-H229 AromaticContact CE1-CG 3.63Å; Y131-H229 AromaticContact CE2-CD2 3.78Å; Y131-H229 AromaticContact CZ-CD2 3.38Å; Y131-H229 AromaticContact CZ-CG 3.91Å; Y131-H229 AromaticContact CZ-NE2 3.92Å
132E94.1Very high90.2Very high21 Ų2146.6 Ų46.610%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-131.8132.5-177.6-170.7-175138.900109.4T163 I191 P224 V228 K230E132-T163 WeakPolarHBondContact O-CG2 3.45Å; E132-I191 WeakPolarHBondContact CA-O 3.5Å; E132-P224 HydrophobicContact CG-CB 4.24Å; E132-P224 HydrophobicContact CG-CG 4.06Å; E132-P224 WeakPolarHBondContact OE1-CB 3.27Å; E132-V228 PolarHBondContact N-O 3.46Å; E132-K230 IonicContact OE1-NZ 2.72Å; E132-K230 PolarHBondContact OE1-NZ 2.85Å; E132-K230 WeakPolarHBondContact OE2-CE 3.41Å; E132-K230 IonicContact OE2-NZ 2.81Å; E132-K230 PolarHBondContact OE2-NZ 2.88Å
133G94.9Very high89.6Confident0 Ų049.7 Ų49.70%025%0.253CS..EExtended strand (participates in β ladder)trans173.4167.4179.600000113.1K162 I191G133-K162 CarbonylContact C-O 3.58Å; G133-K162 WeakPolarHBondContact CA-O 3.45Å; G133-I191 PolarHBondContact N-O 3.02Å; G133-I191 VanDerWaalsContact N-O 3.14Å; G133-I191 PolarHBondContact O-N 3.13Å
134E94.9Very high88.8Confident10 Ų1055.7 Ų55.75%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-67.7130.7165.5178.3-157.1144.300109.4T136 L161 K162 D189 V190 C206 F209 L223E134-T136 PolarHBondContact O-N 2.81Å; E134-L161 CarbonylContact O-C 3.53Å; E134-L161 WeakPolarHBondContact O-CA 3.36Å; E134-K162 HydrophobicContact CB-CB 4.37Å; E134-K162 PolarHBondContact N-O 3.4Å; E134-K162 PolarHBondContact O-N 2.92Å; E134-D189 CarbonylContact C-O 3.58Å; E134-D189 VanDerWaalsContact CA-O 3.3Å; E134-D189 WeakPolarHBondContact CA-O 3.2Å; E134-V190 HydrophobicContact CB-CG2 4.46Å; E134-C206 HydrophobicContact CG-CB 4.02Å; E134-F209 HydrophobicContact CG-CE2 4.5Å; E134-F209 WeakPolarHBondContact OE1-CE2 3.37Å; E134-L223 HydrophobicContact CB-CD1 3.55Å; E134-L223 HydrophobicContact CG-CD1 4.42Å; E134-L223 VanDerWaalsContact OE2-CD1 3.23Å; E134-L223 WeakPolarHBondContact OE2-CD1 3.44Å
135V95.2Very high87.7Confident0 Ų057.3 Ų57.30%029%0.293CS..EExtended strand (participates in β ladder)trans-73113.9175-178.50000109.1L138 I159 G160 L161 V185 V187 G188 D189 I191V135-L138 HydrophobicContact CG1-CB 4.26Å; V135-I159 HydrophobicContact CG1-CD1 4.31Å; V135-I159 HydrophobicContact CG1-CG1 4.14Å; V135-I159 HydrophobicContact CG2-CD1 4.17Å; V135-G160 CarbonylContact C-O 3.55Å; V135-G160 WeakPolarHBondContact CA-O 3.48Å; V135-L161 HydrophobicContact CG2-CD2 4.05Å; V135-V185 HydrophobicContact CG2-CG1 3.87Å; V135-V187 HydrophobicContact CG1-CG2 4.46Å; V135-V187 WeakPolarHBondContact O-CG1 3.4Å; V135-G188 PolarHBondContact O-N 2.82Å; V135-D189 PolarHBondContact N-O 2.93Å; V135-I191 HydrophobicContact CG2-CB 4.46Å; V135-I191 HydrophobicContact CG2-CD1 3.54Å; V135-I191 HydrophobicContact CG2-CG1 3.69Å; V135-I191 HydrophobicContact CG2-CG2 3.99Å
136T94.4Very high86.5Confident59 Ų5957.7 Ų57.736%0.36231%0.307SS..EExtended strand (participates in β ladder)trans-96.6-26.4176.459.90000112.9E134 G160 K162E134-T136 PolarHBondContact O-N 2.81Å; T136-G160 PolarHBondContact N-O 3.47Å; T136-G160 VanDerWaalsContact OG1-C 3.3Å; T136-G160 WeakPolarHBondContact OG1-CA 3.43Å; T136-G160 PolarHBondContact OG1-O 2.79Å; T136-K162 HydrophobicContact CG2-CB 3.49Å; T136-K162 VanDerWaalsContact CG2-CB 3.49Å; T136-K162 HydrophobicContact CG2-CD 3.98Å; T136-K162 HydrophobicContact CG2-CG 4.41Å
137E93.1Very high85.5Confident66 Ų6662 Ų6231%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-149.9138.8-177-176.1-179.2-175.600108.7T139 I159 G160 Q169E137-T139 WeakPolarHBondContact CG-OG1 3.46Å; E137-T139 PolarHBondContact OE1-OG1 3.17Å; E137-T139 VanDerWaalsContact OE1-OG1 3.13Å; E137-I159 CarbonylContact O-C 3.43Å; E137-I159 VanDerWaalsContact O-CA 3.27Å; E137-I159 WeakPolarHBondContact O-CA 3.34Å; E137-I159 WeakPolarHBondContact O-CG1 3.37Å; E137-G160 PolarHBondContact O-N 3.03Å; E137-Q169 PolarHBondContact OE2-NE2 3.01Å
138L90.6Very high84.2Confident45 Ų4561.6 Ų61.624%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-141.396.4173.9-179.566.4000108.9V135 V157 I159 L180V135-L138 HydrophobicContact CG1-CB 4.26Å; L138-V157 HydrophobicContact CD1-CG1 3.65Å; L138-I159 HydrophobicContact CD1-CB 4.5Å; L138-I159 HydrophobicContact CD1-CD1 4.24Å; L138-I159 HydrophobicContact CD1-CG1 4.26Å; L138-L180 HydrophobicContact CD1-CD1 3.9Å
139T89.1Confident83.1Confident57 Ų5761.7 Ų61.735%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-122.9107.6-172.5-53.10000110.2E137 I158E137-T139 WeakPolarHBondContact CG-OG1 3.46Å; E137-T139 PolarHBondContact OE1-OG1 3.17Å; E137-T139 VanDerWaalsContact OE1-OG1 3.13Å; T139-I158 PolarHBondContact N-O 3.32Å; T139-I158 PolarHBondContact O-N 2.76Å
140P86.9Confident81.4Confident48 Ų4870.6 Ų70.631%0.31239%0.387SS..EExtended strand (participates in β ladder)trans-75.1135.217329.9-32.3000111.1I154 V157 Y177P140-I154 HydrophobicContact CB-CD1 4.39Å; P140-I154 HydrophobicContact CB-CG2 4.42Å; P140-V157 HydrophobicContact CB-CG2 4.28Å; P140-Y177 HydrophobicContact CB-CE2 4.08Å; P140-Y177 HydrophobicContact CG-CE2 4.25Å
141C84.4Confident79.9Confident32 Ų3272.8 Ų72.822%0.21641%0.41CS..EExtended strand (participates in β ladder)trans-105.7111.6178.5-63.60000110.8S155 H156C141-S155 PolarHBondContact O-N 3.38Å; C141-S155 PolarHBondContact O-OG 3.14Å; C141-H156 VanDerWaalsContact CB-CE1 3.49Å; C141-H156 WeakPolarHBondContact CB-CE1 3.49Å; C141-H156 WeakPolarHBondContact CB-O 3.44Å; C141-H156 PolarHBondContact N-O 2.93Å
142E84.3Confident78.8Confident108 Ų10877.6 Ų77.651%0.50543%0.432SS..EExtended strand (participates in β ladder)trans-87.7142.1-178.9-64.4177.2161.800112.2K152 T153E142-K152 HydrophobicContact CB-CB 4.18Å; E142-K152 HydrophobicContact CB-CD 4.21Å; E142-K152 HydrophobicContact CG-CB 4.42Å; E142-K152 WeakPolarHBondContact OE2-CD 3.33Å; E142-K152 IonicContact OE2-NZ 2.71Å; E142-K152 PolarHBondContact OE2-NZ 2.84Å; E142-K152 VanDerWaalsContact OE2-NZ 3.13Å; E142-T153 CarbonylContact C-O 3.52Å; E142-T153 WeakPolarHBondContact CA-O 3.42Å
143T78.6Confident77.9Confident66 Ų6678.9 Ų78.941%0.40544%0.441SS..EExtended strand (participates in β ladder)trans-126.8156.8170.750.90000110.7T153 S155T143-T153 PolarHBondContact N-O 3.43Å; T143-T153 PolarHBondContact O-N 3.32Å; T143-T153 PolarHBondContact O-OG1 3.17Å; T143-T153 PolarHBondContact OG1-O 3.32Å; T143-S155 WeakPolarHBondContact OG1-CB 3.32Å
144E72.7Confident77Confident177 Ų17781.5 Ų81.583%0.82746%0.455SS*.EExtended strand (participates in β ladder)trans-68.7138.7173.3-68.6-174.5167.300110.8P146E144-P146 WeakPolarHBondContact O-CD 3.28Å
145N66.4Low76.4Confident63 Ų6383 Ų8334%0.33747%0.466SS..  trans-72.5118.6-169.2-146.8-3.7000111.1M147 G148 G151 T153N145-M147 PolarHBondContact O-N 2.96Å; N145-M147 VanDerWaalsContact O-N 3.12Å; N145-G148 PolarHBondContact O-N 2.9Å; N145-G151 WeakPolarHBondContact CB-O 3.5Å; N145-T153 HydrophobicContact CB-CG2 4.37Å; N145-T153 VanDerWaalsContact CG-CG2 3.48Å; N145-T153 WeakPolarHBondContact OD1-CG2 3.36Å; N145-T153 PolarHBondContact OD1-OG1 3.31Å
146P63.9Low75.8Confident123 Ų12384.8 Ų84.880%0.79947%0.474SS*.THydrogen-bonded Turntrans-64.8-19.7-175.7-21.432.1000114.4E144E144-P146 WeakPolarHBondContact O-CD 3.28Å
147M63.7Low75.5Confident186 Ų18682 Ų8292%0.91646%0.457SS*.THydrogen-bonded Turntrans-93.715.2-177.6-75.3-163.4131.600114.8N145 G149N145-M147 PolarHBondContact O-N 2.96Å; N145-M147 VanDerWaalsContact O-N 3.12Å; M147-G149 PolarHBondContact O-N 2.73Å
148G60.5Low75.4Confident77 Ų7781.3 Ų81.379%0.79446%0.455SS*.  trans7126.1164.900000116.2N145N145-G148 PolarHBondContact O-N 2.9Å
149G61.5Low75.5Confident42 Ų4279.2 Ų79.243%0.43344%0.444SS..  trans-101.8146.2169.700000112M147 G151M147-G149 PolarHBondContact O-N 2.73Å; G149-G151 PolarHBondContact O-N 3.31Å
150Y54.2Low75.8Confident253 Ų25376.5 Ų76.599%0.99243%0.428SS*.SBendtrans-61.3109.1171.6-78.6-86.7000110.2
151G60.7Low76.2Confident46 Ų4674.2 Ų74.247%0.47441%0.413SS..SBendtrans160.8142.8174.100000111.4N145 G149N145-G151 WeakPolarHBondContact CB-O 3.5Å; G149-G151 PolarHBondContact O-N 3.31Å
152K69.9Low76.7Confident150 Ų15076.4 Ų76.465%0.65242%0.419SS*.EExtended strand (participates in β ladder)trans-83.8134.6167.9-64.7-175.3-179.1178.70108.5E142E142-K152 HydrophobicContact CB-CB 4.18Å; E142-K152 HydrophobicContact CB-CD 4.21Å; E142-K152 HydrophobicContact CG-CB 4.42Å; E142-K152 WeakPolarHBondContact OE2-CD 3.33Å; E142-K152 IonicContact OE2-NZ 2.71Å; E142-K152 PolarHBondContact OE2-NZ 2.84Å; E142-K152 VanDerWaalsContact OE2-NZ 3.13Å
153T75Confident77.2Confident49 Ų4971.5 Ų71.530%0.30140%0.396SS..EExtended strand (participates in β ladder)trans-107.6141.7175.840.50000110.2E142 T143 N145 S155E142-T153 CarbonylContact C-O 3.52Å; E142-T153 WeakPolarHBondContact CA-O 3.42Å; T143-T153 PolarHBondContact N-O 3.43Å; T143-T153 PolarHBondContact O-N 3.32Å; T143-T153 PolarHBondContact O-OG1 3.17Å; T143-T153 PolarHBondContact OG1-O 3.32Å; N145-T153 HydrophobicContact CB-CG2 4.37Å; N145-T153 VanDerWaalsContact CG-CG2 3.48Å; N145-T153 WeakPolarHBondContact OD1-CG2 3.36Å; N145-T153 PolarHBondContact OD1-OG1 3.31Å; T153-S155 PolarHBondContact O-N 3.13Å
154I76.2Confident77.9Confident55 Ų5571.6 Ų71.628%0.28240%0.404SS..EExtended strand (participates in β ladder)trans-74.3121.6177.4-60.3176000107.7P140 V157 P174 Y177P140-I154 HydrophobicContact CB-CD1 4.39Å; P140-I154 HydrophobicContact CB-CG2 4.42Å; I154-V157 HydrophobicContact CG2-CG2 4.15Å; I154-P174 HydrophobicContact CB-CB 4.48Å; I154-P174 HydrophobicContact CG2-CB 4.26Å; I154-P174 HydrophobicContact CG2-CG 4.46Å; I154-P174 WeakPolarHBondContact O-CG 3.38Å; I154-Y177 HydrophobicContact CD1-CD1 3.27Å; I154-Y177 HydrophobicContact CD1-CE1 3.26Å; I154-Y177 HydrophobicContact CD1-CG 4.24Å
155S83.1Confident78.8Confident40 Ų4069.7 Ų69.728%0.2839%0.393SS..EExtended strand (participates in β ladder)trans-88-36.1179.564.90000112.8C141 T143 T153 P174C141-S155 PolarHBondContact O-N 3.38Å; C141-S155 PolarHBondContact O-OG 3.14Å; T143-S155 WeakPolarHBondContact OG1-CB 3.32Å; T153-S155 PolarHBondContact O-N 3.13Å; S155-P174 VanDerWaalsContact C-CG 3.45Å; S155-P174 WeakPolarHBondContact O-CD 3.32Å; S155-P174 VanDerWaalsContact O-CG 3.23Å; S155-P174 WeakPolarHBondContact O-CG 3.47Å
156H83.3Confident80Confident39 Ų3968.2 Ų68.218%0.18139%0.392CS..EExtended strand (participates in β ladder)trans-168.1166.7176.857.1-80000109.5C141 K171 L172C141-H156 VanDerWaalsContact CB-CE1 3.49Å; C141-H156 WeakPolarHBondContact CB-CE1 3.49Å; C141-H156 WeakPolarHBondContact CB-O 3.44Å; C141-H156 PolarHBondContact N-O 2.93Å; H156-K171 HydrophobicContact CB-CG 4.06Å; H156-K171 WeakPolarHBondContact CD2-CE 3.23Å; H156-K171 WeakPolarHBondContact NE2-CE 3.33Å; H156-L172 WeakPolarHBondContact CA-O 3.49Å; H156-L172 WeakPolarHBondContact CB-O 3.27Å
157V87.3Confident81.4Confident0 Ų067.3 Ų67.30%039%0.385CS..EExtended strand (participates in β ladder)trans-119.1134.3172.7179.20000109.7L138 P140 I154 L172 Y177L138-V157 HydrophobicContact CD1-CG1 3.65Å; P140-V157 HydrophobicContact CB-CG2 4.28Å; I154-V157 HydrophobicContact CG2-CG2 4.15Å; V157-L172 PolarHBondContact N-O 3.2Å; V157-L172 PolarHBondContact O-N 3.07Å; V157-Y177 HydrophobicContact CG1-CD2 4.28Å; V157-Y177 HydrophobicContact CG2-CD2 3.56Å; V157-Y177 HydrophobicContact CG2-CE2 4.48Å; V157-Y177 HydrophobicContact CG2-CG 3.68Å
158I91.3Very high82.9Confident52 Ų5262.7 Ų62.727%0.26736%0.359SS..EExtended strand (participates in β ladder)trans-95.4121.4170.4-59.4177.8000107.4T139 L170T139-I158 PolarHBondContact N-O 3.32Å; T139-I158 PolarHBondContact O-N 2.76Å; I158-L170 WeakPolarHBondContact CA-O 3.41Å
159I93.1Very high84.5Confident0 Ų065.4 Ų65.40%035%0.351CS..EExtended strand (participates in β ladder)trans-119.2132.4174.2-163.8172000110.1V135 E137 L138 L161 Q169 L170 L172 L180 I191 I193V135-I159 HydrophobicContact CG1-CD1 4.31Å; V135-I159 HydrophobicContact CG1-CG1 4.14Å; V135-I159 HydrophobicContact CG2-CD1 4.17Å; E137-I159 CarbonylContact O-C 3.43Å; E137-I159 VanDerWaalsContact O-CA 3.27Å; E137-I159 WeakPolarHBondContact O-CA 3.34Å; E137-I159 WeakPolarHBondContact O-CG1 3.37Å; L138-I159 HydrophobicContact CD1-CB 4.5Å; L138-I159 HydrophobicContact CD1-CD1 4.24Å; L138-I159 HydrophobicContact CD1-CG1 4.26Å; I159-L161 HydrophobicContact CD1-CD2 4.12Å; I159-L161 HydrophobicContact CG1-CD2 4.28Å; I159-Q169 CarbonylContact O-C 3.56Å; I159-Q169 WeakPolarHBondContact O-CA 2.84Å; I159-L170 HydrophobicContact CG2-CB 3.77Å; I159-L170 HydrophobicContact CG2-CD1 4.28Å; I159-L170 HydrophobicContact CG2-CG 4.45Å; I159-L170 PolarHBondContact N-O 2.91Å; I159-L170 PolarHBondContact O-N 2.87Å; I159-L172 HydrophobicContact CB-CD1 4.18Å; I159-L172 HydrophobicContact CG2-CD1 3.42Å; I159-L172 VanDerWaalsContact CG2-CD1 3.42Å; I159-L172 HydrophobicContact CG2-CG 3.89Å; I159-L180 HydrophobicContact CD1-CD1 4.45Å; I159-L180 HydrophobicContact CD1-CD2 4.26Å; I159-I191 HydrophobicContact CD1-CD1 3.65Å; I159-I193 HydrophobicContact CD1-CD1 4.29Å
160G94.8Very high85.9Confident1 Ų164.2 Ų64.21%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-96.1125.4169.300000109.6V135 T136 E137V135-G160 CarbonylContact C-O 3.55Å; V135-G160 WeakPolarHBondContact CA-O 3.48Å; T136-G160 PolarHBondContact N-O 3.47Å; T136-G160 VanDerWaalsContact OG1-C 3.3Å; T136-G160 WeakPolarHBondContact OG1-CA 3.43Å; T136-G160 PolarHBondContact OG1-O 2.79Å; E137-G160 PolarHBondContact O-N 3.03Å
161L95.6Very high87.6Confident0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-116.6135.3175-67.3-177.7000110.8E134 V135 I159 T167 K168 L170 I191 I193 V228E134-L161 CarbonylContact O-C 3.53Å; E134-L161 WeakPolarHBondContact O-CA 3.36Å; V135-L161 HydrophobicContact CG2-CD2 4.05Å; I159-L161 HydrophobicContact CD1-CD2 4.12Å; I159-L161 HydrophobicContact CG1-CD2 4.28Å; L161-T167 CarbonylContact O-C 3.59Å; L161-T167 VanDerWaalsContact O-CA 3.3Å; L161-T167 WeakPolarHBondContact O-CA 3.23Å; L161-K168 PolarHBondContact N-O 3.4Å; L161-K168 PolarHBondContact O-N 3.25Å; L161-L170 HydrophobicContact CD1-CD1 3.69Å; L161-L170 HydrophobicContact CG-CD1 4.36Å; L161-I191 HydrophobicContact CD2-CD1 4.09Å; L161-I191 HydrophobicContact CD2-CG1 3.94Å; L161-I193 HydrophobicContact CD1-CD1 4.5Å; L161-V228 HydrophobicContact CB-CG1 3.59Å; L161-V228 HydrophobicContact CD1-CG1 4Å; L161-V228 HydrophobicContact CG-CG1 4.46Å
162K94.8Very high88.9Confident78 Ų7858.1 Ų58.134%0.33930%0.301SS..EExtended strand (participates in β ladder)trans-121.9139.6-179.8-179.8176.6174.4-159.60111.7G133 E134 T136 T167G133-K162 CarbonylContact C-O 3.58Å; G133-K162 WeakPolarHBondContact CA-O 3.45Å; E134-K162 HydrophobicContact CB-CB 4.37Å; E134-K162 PolarHBondContact N-O 3.4Å; E134-K162 PolarHBondContact O-N 2.92Å; T136-K162 HydrophobicContact CG2-CB 3.49Å; T136-K162 VanDerWaalsContact CG2-CB 3.49Å; T136-K162 HydrophobicContact CG2-CD 3.98Å; T136-K162 HydrophobicContact CG2-CG 4.41Å; K162-T167 HydrophobicContact CB-CG2 3.82Å; K162-T167 HydrophobicContact CD-CG2 4.1Å; K162-T167 HydrophobicContact CG-CG2 3.66Å
163T94.8Very high89.7Confident5 Ų555.4 Ų55.43%0.03129%0.294CS..  trans-129.6174.1171.457.10000109.2E132 K165 G166 P224 G226 V228E132-T163 WeakPolarHBondContact O-CG2 3.45Å; T163-K165 PolarHBondContact O-N 2.98Å; T163-G166 PolarHBondContact N-O 2.91Å; T163-G166 PolarHBondContact O-N 3.37Å; T163-G166 PolarHBondContact OG1-N 2.9Å; T163-G166 PolarHBondContact OG1-O 3.18Å; T163-P224 WeakPolarHBondContact CB-O 3.34Å; T163-P224 HydrophobicContact CG2-CB 4.21Å; T163-G226 WeakPolarHBondContact CB-O 3.41Å; T163-G226 PolarHBondContact OG1-O 3.17Å; T163-V228 HydrophobicContact CG2-CB 4.3Å; T163-V228 HydrophobicContact CG2-CG2 3.77Å
164A92.3Very high90.1Very high68 Ų6854.7 Ų54.756%0.56229%0.29SS*.SBendtrans-61.7-23.7175.300000113.4L223 P224A164-L223 HydrophobicContact CB-CD2 4.26Å; A164-P224 PolarHBondContact N-O 3.49Å
165K92.3Very high90.5Very high137 Ų13755.2 Ų55.260%0.59630%0.299SS*.SBendtrans-93.9-26.4-177.2-166176167.5-159.50113.2T163 G226 D227T163-K165 PolarHBondContact O-N 2.98Å; K165-G226 WeakPolarHBondContact CB-O 3.47Å; K165-D227 VanDerWaalsContact CD-OD1 3.25Å; K165-D227 WeakPolarHBondContact CD-OD1 3.47Å; K165-D227 WeakPolarHBondContact CE-OD1 3.17Å; K165-D227 IonicContact NZ-OD1 2.73Å; K165-D227 PolarHBondContact NZ-OD1 3.23Å; K165-D227 IonicContact NZ-OD2 3.76Å; K165-D227 PolarHBondContact NZ-OD2 2.92Å
166G91.1Very high90.6Very high32 Ų3254.2 Ų54.233%0.3329%0.29SS..  trans174.8176.5-179.500000114.1T163 V228T163-G166 PolarHBondContact N-O 2.91Å; T163-G166 PolarHBondContact O-N 3.37Å; T163-G166 PolarHBondContact OG1-N 2.9Å; T163-G166 PolarHBondContact OG1-O 3.18Å; G166-V228 WeakPolarHBondContact O-CG2 3.45Å
167T94.4Very high90.7Very high104 Ų10454.3 Ų54.364%0.63829%0.289SS*.EExtended strand (participates in β ladder)trans-113150.6178.3530000110.7L161 K162L161-T167 CarbonylContact O-C 3.59Å; L161-T167 VanDerWaalsContact O-CA 3.3Å; L161-T167 WeakPolarHBondContact O-CA 3.23Å; K162-T167 HydrophobicContact CB-CG2 3.82Å; K162-T167 HydrophobicContact CD-CG2 4.1Å; K162-T167 HydrophobicContact CG-CG2 3.66Å
168K94.3Very high90.5Very high89 Ų8961 Ų6139%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-146.3129.8175-164.8170.6-177.21790109.9L161 L170 V228L161-K168 PolarHBondContact N-O 3.4Å; L161-K168 PolarHBondContact O-N 3.25Å; K168-L170 HydrophobicContact CD-CD2 4.07Å; K168-L170 HydrophobicContact CG-CD2 4.08Å; K168-V228 HydrophobicContact CB-CB 4.07Å; K168-V228 HydrophobicContact CB-CG1 4.01Å; K168-V228 HydrophobicContact CB-CG2 4.06Å
169Q93.7Very high90.3Very high133 Ų13360.6 Ų60.662%0.62132%0.322SS*.EExtended strand (participates in β ladder)trans-90.1136.8168.5-78.3179.5-18.500109.7E137 I159E137-Q169 PolarHBondContact OE2-NE2 3.01Å; I159-Q169 CarbonylContact O-C 3.56Å; I159-Q169 WeakPolarHBondContact O-CA 2.84Å
170L91.1Very high90Very high17 Ų1760.7 Ų60.79%0.08932%0.323CS..EExtended strand (participates in β ladder)trans-124.4139.6-178.5-55.8171.6000109.2Y131 I158 I159 L161 K168 L172Y131-L170 HydrophobicContact CD1-CD1 3.49Å; Y131-L170 VanDerWaalsContact CD1-CD1 3.49Å; Y131-L170 HydrophobicContact CD1-CD2 3.84Å; Y131-L170 HydrophobicContact CD1-CG 4.31Å; Y131-L170 HydrophobicContact CD2-CD1 4.44Å; Y131-L170 HydrophobicContact CE1-CD1 4.03Å; Y131-L170 HydrophobicContact CE1-CD2 3.53Å; Y131-L170 HydrophobicContact CE1-CG 4.45Å; Y131-L170 HydrophobicContact CG-CD1 3.71Å; I158-L170 WeakPolarHBondContact CA-O 3.41Å; I159-L170 HydrophobicContact CG2-CB 3.77Å; I159-L170 HydrophobicContact CG2-CD1 4.28Å; I159-L170 HydrophobicContact CG2-CG 4.45Å; I159-L170 PolarHBondContact N-O 2.91Å; I159-L170 PolarHBondContact O-N 2.87Å; L161-L170 HydrophobicContact CD1-CD1 3.69Å; L161-L170 HydrophobicContact CG-CD1 4.36Å; K168-L170 HydrophobicContact CD-CD2 4.07Å; K168-L170 HydrophobicContact CG-CD2 4.08Å; L170-L172 HydrophobicContact CB-CD2 4.27Å; L170-L172 HydrophobicContact CB-CG 4.45Å
171K90.4Very high89.6Confident151 Ų15166 Ų6666%0.65735%0.347SS*.EExtended strand (participates in β ladder)trans-99.2114.5169.3-172.6-178.8-174.1-179.60107.8H156H156-K171 HydrophobicContact CB-CG 4.06Å; H156-K171 WeakPolarHBondContact CD2-CE 3.23Å; H156-K171 WeakPolarHBondContact NE2-CE 3.33Å
172L87.8Confident89.3Confident20 Ų2074.5 Ų74.511%0.10538%0.384CS..EExtended strand (participates in β ladder)trans-108.1152.5-175-62.2-179.7000111.5H156 V157 I159 L170 I176 L180 I193H156-L172 WeakPolarHBondContact CA-O 3.49Å; H156-L172 WeakPolarHBondContact CB-O 3.27Å; V157-L172 PolarHBondContact N-O 3.2Å; V157-L172 PolarHBondContact O-N 3.07Å; I159-L172 HydrophobicContact CB-CD1 4.18Å; I159-L172 HydrophobicContact CG2-CD1 3.42Å; I159-L172 VanDerWaalsContact CG2-CD1 3.42Å; I159-L172 HydrophobicContact CG2-CG 3.89Å; L170-L172 HydrophobicContact CB-CD2 4.27Å; L170-L172 HydrophobicContact CB-CG 4.45Å; L172-I176 HydrophobicContact CB-CB 4.3Å; L172-I176 HydrophobicContact CB-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG2 3.9Å; L172-I176 HydrophobicContact CD2-CD1 3.98Å; L172-I176 HydrophobicContact CG-CD1 4.45Å; L172-L180 HydrophobicContact CD1-CD1 4.45Å; L172-I193 HydrophobicContact CD1-CD1 3.9Å
173D86.8Confident88.9Confident93 Ų9374.5 Ų74.550%0.49739%0.385SS..  trans-66.5147.5174.6-173.8-92.5000111.4S175 I176D173-S175 PolarHBondContact O-N 2.9Å; D173-S175 VanDerWaalsContact O-N 3.15Å; D173-S175 VanDerWaalsContact OD1-CB 3.29Å; D173-S175 WeakPolarHBondContact OD1-CB 3.31Å; D173-S175 PolarHBondContact OD1-N 3.16Å; D173-S175 PolarHBondContact OD1-OG 3.27Å; D173-I176 HydrophobicContact CB-CD1 4.46Å; D173-I176 HydrophobicContact CB-CG1 4.44Å; D173-I176 WeakPolarHBondContact O-CB 3.49Å; D173-I176 PolarHBondContact O-N 3.49Å
174P84.3Confident88.7Confident35 Ų3583.8 Ų83.823%0.22742%0.42CS..Hα-helixtrans-52.4-33177-2937.1000114.6I154 S155 I176 Y177I154-P174 HydrophobicContact CB-CB 4.48Å; I154-P174 HydrophobicContact CG2-CB 4.26Å; I154-P174 HydrophobicContact CG2-CG 4.46Å; I154-P174 WeakPolarHBondContact O-CG 3.38Å; S155-P174 VanDerWaalsContact C-CG 3.45Å; S155-P174 WeakPolarHBondContact O-CD 3.32Å; S155-P174 VanDerWaalsContact O-CG 3.23Å; S155-P174 WeakPolarHBondContact O-CG 3.47Å; P174-I176 PolarHBondContact O-N 3.3Å; P174-Y177 WeakPolarHBondContact O-CB 3.45Å; P174-Y177 PolarHBondContact O-N 3.44Å
175S84.3Confident88.6Confident66 Ų6681.1 Ų81.146%0.46240%0.396SS..Hα-helixtrans-61.7-28.4177.558.70000113.4D173 Y177 E178 S179D173-S175 PolarHBondContact O-N 2.9Å; D173-S175 VanDerWaalsContact O-N 3.15Å; D173-S175 VanDerWaalsContact OD1-CB 3.29Å; D173-S175 WeakPolarHBondContact OD1-CB 3.31Å; D173-S175 PolarHBondContact OD1-N 3.16Å; D173-S175 PolarHBondContact OD1-OG 3.27Å; S175-Y177 VanDerWaalsContact C-N 3.3Å; S175-E178 PolarHBondContact O-N 3.38Å; S175-S179 PolarHBondContact O-N 3.29Å
176I85.5Confident88.5Confident18 Ų1879.7 Ų79.79%0.09239%0.392CS..Hα-helixtrans-73.9-28177.5-54178.7000110.3L172 D173 P174 E178 S179 L180 V200L172-I176 HydrophobicContact CB-CB 4.3Å; L172-I176 HydrophobicContact CB-CD1 4.09Å; L172-I176 HydrophobicContact CD1-CG2 3.9Å; L172-I176 HydrophobicContact CD2-CD1 3.98Å; L172-I176 HydrophobicContact CG-CD1 4.45Å; D173-I176 HydrophobicContact CB-CD1 4.46Å; D173-I176 HydrophobicContact CB-CG1 4.44Å; D173-I176 WeakPolarHBondContact O-CB 3.49Å; D173-I176 PolarHBondContact O-N 3.49Å; P174-I176 PolarHBondContact O-N 3.3Å; I176-E178 PolarHBondContact O-N 2.86Å; I176-S179 WeakPolarHBondContact O-CB 3.3Å; I176-S179 PolarHBondContact O-N 2.81Å; I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 3Å; I176-V200 HydrophobicContact CG2-CG2 3.56Å
177Y85Confident88.6Confident42 Ų4281.6 Ų81.617%0.16540%0.397CS..Hα-helixtrans-61.4-43.8174.1-170.2-120.9000112.4P140 I154 V157 P174 S175 S179 L180 Q181P140-Y177 HydrophobicContact CB-CE2 4.08Å; P140-Y177 HydrophobicContact CG-CE2 4.25Å; I154-Y177 HydrophobicContact CD1-CD1 3.27Å; I154-Y177 HydrophobicContact CD1-CE1 3.26Å; I154-Y177 HydrophobicContact CD1-CG 4.24Å; V157-Y177 HydrophobicContact CG1-CD2 4.28Å; V157-Y177 HydrophobicContact CG2-CD2 3.56Å; V157-Y177 HydrophobicContact CG2-CE2 4.48Å; V157-Y177 HydrophobicContact CG2-CG 3.68Å; P174-Y177 WeakPolarHBondContact O-CB 3.45Å; P174-Y177 PolarHBondContact O-N 3.44Å; S175-Y177 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 3.32Å; Y177-L180 WeakPolarHBondContact O-CB 3.2Å; Y177-L180 PolarHBondContact O-N 2.78Å; Y177-Q181 HydrophobicContact CD1-CG 4.43Å; Y177-Q181 HydrophobicContact CE1-CG 4.13Å; Y177-Q181 HydrophobicContact CE2-CG 4.37Å; Y177-Q181 VanDerWaalsContact CZ-NE2 3.26Å; Y177-Q181 WeakPolarHBondContact O-CG 3.49Å; Y177-Q181 PolarHBondContact O-N 3.46Å; Y177-Q181 PolarHBondContact OH-NE2 3.45Å; Y177-Q181 VanDerWaalsContact OH-NE2 3.13Å
178E83.8Confident88.3Confident140 Ų14076.6 Ų76.665%0.65437%0.367SS*.Hα-helixtrans-61-38.5176.9-62.3-176.9173.900110.9S175 I176 Q181 K182S175-E178 PolarHBondContact O-N 3.38Å; I176-E178 PolarHBondContact O-N 2.86Å; E178-Q181 PolarHBondContact O-N 3.37Å; E178-K182 WeakPolarHBondContact O-CB 3.39Å; E178-K182 PolarHBondContact O-N 3.16Å
179S85.3Confident88.3Confident43 Ų4372.4 Ų72.430%0.30135%0.348SS..Hα-helixtrans-66.5-42.2175.6-62.10000112.2S175 I176 Y177 K182 E183S175-S179 PolarHBondContact O-N 3.29Å; I176-S179 WeakPolarHBondContact O-CB 3.3Å; I176-S179 PolarHBondContact O-N 2.81Å; Y177-S179 PolarHBondContact O-N 3.32Å; S179-K182 PolarHBondContact O-N 3.41Å; S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 3.41Å
180L87.9Confident88.3Confident2 Ų266 Ų661%0.0132%0.319CS..Hα-helixtrans-61.3-42.3174.5-73.4158.9000111.7L138 I159 L172 I176 Y177 R184 V185 I191 V200L138-L180 HydrophobicContact CD1-CD1 3.9Å; I159-L180 HydrophobicContact CD1-CD1 4.45Å; I159-L180 HydrophobicContact CD1-CD2 4.26Å; L172-L180 HydrophobicContact CD1-CD1 4.45Å; I176-L180 HydrophobicContact CG2-CD1 4.18Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 3Å; Y177-L180 WeakPolarHBondContact O-CB 3.2Å; Y177-L180 PolarHBondContact O-N 2.78Å; L180-R184 PolarHBondContact O-N 3.19Å; L180-R184 VanDerWaalsContact O-N 3.13Å; L180-V185 HydrophobicContact CB-CB 4.48Å; L180-V185 HydrophobicContact CD2-CB 3.87Å; L180-V185 HydrophobicContact CD2-CG1 3.84Å; L180-V185 HydrophobicContact CD2-CG2 3.96Å; L180-V185 PolarHBondContact O-N 2.8Å; L180-I191 HydrophobicContact CD2-CD1 3.91Å; L180-V200 HydrophobicContact CD2-CG1 3.71Å; L180-V200 HydrophobicContact CD2-CG2 4.33Å; L180-V200 HydrophobicContact CG-CG1 4.35Å; L180-V200 HydrophobicContact CG-CG2 4.18Å
181Q87.2Confident88.4Confident112 Ų11265.2 Ų65.252%0.52331%0.314SS..Hα-helixtrans-66.2-41.8176-74.6-169.6-22.900112.3Y177 E178 E183 R184Y177-Q181 HydrophobicContact CD1-CG 4.43Å; Y177-Q181 HydrophobicContact CE1-CG 4.13Å; Y177-Q181 HydrophobicContact CE2-CG 4.37Å; Y177-Q181 VanDerWaalsContact CZ-NE2 3.26Å; Y177-Q181 WeakPolarHBondContact O-CG 3.49Å; Y177-Q181 PolarHBondContact O-N 3.46Å; Y177-Q181 PolarHBondContact OH-NE2 3.45Å; Y177-Q181 VanDerWaalsContact OH-NE2 3.13Å; E178-Q181 PolarHBondContact O-N 3.37Å; Q181-E183 VanDerWaalsContact C-N 3.31Å; Q181-E183 PolarHBondContact O-N 2.89Å; Q181-R184 PolarHBondContact O-N 3.46Å
182K88Confident88.5Confident179 Ų17959.9 Ų59.978%0.77829%0.29SS*.Hα-helixtrans-62.4-39.2178.5-172.7-179.6179.1-176.50112.1E178 S179 R184E178-K182 WeakPolarHBondContact O-CB 3.39Å; E178-K182 PolarHBondContact O-N 3.16Å; S179-K182 PolarHBondContact O-N 3.41Å; K182-R184 PolarHBondContact O-N 3.21Å
183E86.1Confident88.6Confident79 Ų7959 Ų5937%0.36929%0.286SS..THydrogen-bonded Turntrans-81.2-1.5176-69.4-72.5135.300113.2S179 Q181 V185S179-E183 WeakPolarHBondContact O-CG 3.33Å; S179-E183 PolarHBondContact O-N 3.41Å; Q181-E183 VanDerWaalsContact C-N 3.31Å; Q181-E183 PolarHBondContact O-N 2.89Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 HydrophobicContact CB-CG2 3.92Å; E183-V185 PolarHBondContact O-N 3.3Å
184R90.4Very high88.7Confident199 Ų19955.9 Ų55.975%0.75127%0.268SS*.THydrogen-bonded Turntrans51.649.2-177.9-57.7-178.5-179.6-177.5-1.4112.5L180 Q181 K182L180-R184 PolarHBondContact O-N 3.19Å; L180-R184 VanDerWaalsContact O-N 3.13Å; Q181-R184 PolarHBondContact O-N 3.46Å; K182-R184 PolarHBondContact O-N 3.21Å
185V90.8Very high88.7Confident12 Ų1256.2 Ų56.27%0.07327%0.274CS..  trans-76.6129.7179.8174.70000110.5V135 L180 E183 D189 I191 V200 R202V135-V185 HydrophobicContact CG2-CG1 3.87Å; L180-V185 HydrophobicContact CB-CB 4.48Å; L180-V185 HydrophobicContact CD2-CB 3.87Å; L180-V185 HydrophobicContact CD2-CG1 3.84Å; L180-V185 HydrophobicContact CD2-CG2 3.96Å; L180-V185 PolarHBondContact O-N 2.8Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 HydrophobicContact CB-CG2 3.92Å; E183-V185 PolarHBondContact O-N 3.3Å; V185-D189 HydrophobicContact CG1-CB 4.49Å; V185-I191 HydrophobicContact CB-CG2 4.43Å; V185-I191 HydrophobicContact CG1-CD1 4.3Å; V185-I191 HydrophobicContact CG1-CG2 3.64Å; V185-I191 HydrophobicContact CG2-CG2 3.88Å; V185-V200 HydrophobicContact CG2-CG1 4.41Å; V185-R202 HydrophobicContact CG2-CB 4.28Å
186E90.8Very high88.6Confident107 Ų10759.4 Ų59.450%0.529%0.285SS..  trans-121.1166.5177.2-63.2-173.3172.900112.1G188 D189E186-G188 PolarHBondContact O-N 2.86Å; E186-D189 PolarHBondContact N-OD2 3.15Å; E186-D189 WeakPolarHBondContact O-CB 3.36Å; E186-D189 PolarHBondContact O-N 2.95Å
187V92.3Very high88.4Confident72 Ų7261.7 Ų61.744%0.43630%0.303SS..THydrogen-bonded Turntrans-64.9129.5172.1177.70000108.9V135V135-V187 HydrophobicContact CG1-CG2 4.46Å; V135-V187 WeakPolarHBondContact O-CG1 3.4Å
188G89.4Confident88.3Confident0 Ų060.3 Ų60.30%030%0.302CS..THydrogen-bonded Turntrans98.8-7-173.500000114.3V135 E186 C206V135-G188 PolarHBondContact O-N 2.82Å; E186-G188 PolarHBondContact O-N 2.86Å; G188-C206 WeakPolarHBondContact O-CB 3.43Å; G188-C206 PolarHBondContact O-N 3.06Å
189D92.9Very high88.3Confident0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-79.5144.5172.7-72.7-29000112.2E134 V135 V185 E186 I191 R202E134-D189 CarbonylContact C-O 3.58Å; E134-D189 VanDerWaalsContact CA-O 3.3Å; E134-D189 WeakPolarHBondContact CA-O 3.2Å; V135-D189 PolarHBondContact N-O 2.93Å; V185-D189 HydrophobicContact CG1-CB 4.49Å; E186-D189 PolarHBondContact N-OD2 3.15Å; E186-D189 WeakPolarHBondContact O-CB 3.36Å; E186-D189 PolarHBondContact O-N 2.95Å; D189-I191 HydrophobicContact CB-CG2 4.21Å; D189-R202 HydrophobicContact CB-CG 4.43Å; D189-R202 IonicContact OD1-CZ 2.82Å; D189-R202 IonicContact OD1-NE 2.81Å; D189-R202 PolarHBondContact OD1-NE 3.03Å; D189-R202 VanDerWaalsContact OD1-NE 3.17Å; D189-R202 IonicContact OD1-NH2 2.96Å; D189-R202 PolarHBondContact OD1-NH2 3.42Å; D189-R202 IonicContact OD2-CZ 3.95Å; D189-R202 IonicContact OD2-NE 3.57Å; D189-R202 PolarHBondContact OD2-NE 2.86Å; D189-R202 IonicContact OD2-NH2 3.13Å
190V93.6Very high88.5Confident0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-88.4122.8166.3-179.70000108.8E134 Q203 G204 C206 V221 P224E134-V190 HydrophobicContact CB-CG2 4.46Å; V190-Q203 HydrophobicContact CB-CB 4.48Å; V190-Q203 HydrophobicContact CG1-CB 4.38Å; V190-Q203 WeakPolarHBondContact O-CB 3.46Å; V190-Q203 PolarHBondContact O-N 3.36Å; V190-G204 PolarHBondContact N-O 3.17Å; V190-C206 HydrophobicContact CG2-CB 3.9Å; V190-V221 HydrophobicContact CB-CG2 3.63Å; V190-V221 HydrophobicContact CG1-CG2 4.4Å; V190-V221 HydrophobicContact CG2-CG2 3.69Å; V190-P224 HydrophobicContact CG1-CG 3.53Å
191I94.3Very high88.6Confident0 Ų060.8 Ų60.80%031%0.306CS..EExtended strand (participates in β ladder)trans-125.9161.4-179.969.5171000111.7E132 G133 V135 I159 L161 L180 V185 D189 I193 V200 K201E132-I191 WeakPolarHBondContact CA-O 3.5Å; G133-I191 PolarHBondContact N-O 3.02Å; G133-I191 VanDerWaalsContact N-O 3.14Å; G133-I191 PolarHBondContact O-N 3.13Å; V135-I191 HydrophobicContact CG2-CB 4.46Å; V135-I191 HydrophobicContact CG2-CD1 3.54Å; V135-I191 HydrophobicContact CG2-CG1 3.69Å; V135-I191 HydrophobicContact CG2-CG2 3.99Å; I159-I191 HydrophobicContact CD1-CD1 3.65Å; L161-I191 HydrophobicContact CD2-CD1 4.09Å; L161-I191 HydrophobicContact CD2-CG1 3.94Å; L180-I191 HydrophobicContact CD2-CD1 3.91Å; V185-I191 HydrophobicContact CB-CG2 4.43Å; V185-I191 HydrophobicContact CG1-CD1 4.3Å; V185-I191 HydrophobicContact CG1-CG2 3.64Å; V185-I191 HydrophobicContact CG2-CG2 3.88Å; D189-I191 HydrophobicContact CB-CG2 4.21Å; I191-I193 HydrophobicContact CD1-CD1 3.86Å; I191-I193 HydrophobicContact CD1-CG1 3.97Å; I191-I193 HydrophobicContact CG1-CG1 4.47Å; I191-V200 HydrophobicContact CD1-CG1 4.28Å; I191-K201 WeakPolarHBondContact CA-O 3.5Å
192Y91.8Very high88.8Confident38 Ų3858.7 Ų58.715%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-126130169.4148.3-107.8000109.1V130 Y131 E194 V200 K201V130-Y192 HydrophobicContact CB-CD2 3.66Å; V130-Y192 HydrophobicContact CB-CE2 3.31Å; V130-Y192 HydrophobicContact CG1-CD2 4Å; V130-Y192 HydrophobicContact CG1-CE2 3.18Å; V130-Y192 HydrophobicContact CG2-CD2 4.46Å; V130-Y192 HydrophobicContact CG2-CE2 4.4Å; Y131-Y192 CarbonylContact O-C 3.55Å; Y131-Y192 WeakPolarHBondContact O-CA 3.3Å; Y192-E194 HydrophobicContact CE2-CB 4.38Å; Y192-E194 WeakPolarHBondContact OH-CB 3.44Å; Y192-V200 WeakPolarHBondContact O-CA 3.31Å; Y192-K201 HydrophobicContact CD1-CB 4.25Å; Y192-K201 PolarHBondContact N-O 3.46Å; Y192-K201 PolarHBondContact O-N 2.96Å
193I90.8Very high88.9Confident3 Ų353.5 Ų53.52%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-118.9127.2176.9-52.6173.8000108.8V130 Y131 I159 L161 L172 I191 A199 V200V130-I193 WeakPolarHBondContact CA-O 3.49Å; Y131-I193 PolarHBondContact N-O 2.95Å; Y131-I193 PolarHBondContact O-N 3.13Å; I159-I193 HydrophobicContact CD1-CD1 4.29Å; L161-I193 HydrophobicContact CD1-CD1 4.5Å; L172-I193 HydrophobicContact CD1-CD1 3.9Å; I191-I193 HydrophobicContact CD1-CD1 3.86Å; I191-I193 HydrophobicContact CD1-CG1 3.97Å; I191-I193 HydrophobicContact CG1-CG1 4.47Å; I193-A199 WeakPolarHBondContact CA-O 3.05Å; I193-V200 HydrophobicContact CG1-CG1 4.24Å; I193-V200 HydrophobicContact CG1-CG2 4.09Å; I193-V200 HydrophobicContact CG2-CG2 4.36Å
194E88.2Confident89.1Confident27 Ų2750.1 Ų50.113%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-80.7125.2172.7-170.1176.1165.100110.6K128 Y192 N196 S197 G198 A199K128-E194 HydrophobicContact CD-CG 4.19Å; K128-E194 VanDerWaalsContact CD-OE1 3.26Å; K128-E194 WeakPolarHBondContact CD-OE1 3.36Å; K128-E194 WeakPolarHBondContact CE-OE1 3.34Å; K128-E194 VanDerWaalsContact NZ-CD 3.27Å; K128-E194 IonicContact NZ-OE1 3.9Å; K128-E194 PolarHBondContact NZ-OE1 3.47Å; K128-E194 IonicContact NZ-OE2 2.75Å; K128-E194 PolarHBondContact NZ-OE2 3.07Å; K128-E194 VanDerWaalsContact NZ-OE2 3.14Å; Y192-E194 HydrophobicContact CE2-CB 4.38Å; Y192-E194 WeakPolarHBondContact OH-CB 3.44Å; E194-N196 VanDerWaalsContact C-N 3.31Å; E194-N196 PolarHBondContact O-N 2.97Å; E194-S197 VanDerWaalsContact CB-OG 3.29Å; E194-S197 WeakPolarHBondContact CB-OG 2.98Å; E194-S197 WeakPolarHBondContact CG-OG 3.19Å; E194-S197 PolarHBondContact OE2-OG 2.87Å; E194-G198 WeakPolarHBondContact O-CA 3.34Å; E194-G198 PolarHBondContact O-N 2.89Å; E194-A199 PolarHBondContact N-O 2.91Å
195A85.1Confident89Confident41 Ų4142.9 Ų42.934%0.33923%0.23SC..THydrogen-bonded Turntrans-64.2-33.3-173.800000113.6E129 Y131E129-A195 HydrophobicContact CB-CB 3.76Å; E129-A195 WeakPolarHBondContact O-CB 3.41Å; E129-A195 PolarHBondContact O-N 2.9Å; Y131-A195 HydrophobicContact CD2-CB 4.26Å; Y131-A195 HydrophobicContact CE2-CB 3.86Å
196N81.3Confident88.8Confident133 Ų13342.3 Ų42.371%0.71123%0.227SC*.THydrogen-bonded Turntrans-87.5-41.5-175.2-67-23.9000113.2E194E194-N196 VanDerWaalsContact C-N 3.31Å; E194-N196 PolarHBondContact O-N 2.97Å
197S81.1Confident88.5Confident67 Ų6740.7 Ų40.747%0.46922%0.222SC..THydrogen-bonded Turntrans-93.4-17.2-175.267.30000113.1E194 A199E194-S197 VanDerWaalsContact CB-OG 3.29Å; E194-S197 WeakPolarHBondContact CB-OG 2.98Å; E194-S197 WeakPolarHBondContact CG-OG 3.19Å; E194-S197 PolarHBondContact OE2-OG 2.87Å; S197-A199 PolarHBondContact O-N 2.98Å; S197-A199 VanDerWaalsContact OG-CB 3.28Å; S197-A199 WeakPolarHBondContact OG-CB 3.34Å; S197-A199 PolarHBondContact OG-N 2.73Å
198G82.4Confident87.7Confident13 Ų1342.2 Ų42.213%0.13423%0.231CC..  trans67.66.9-17100000113.5E194 V200E194-G198 WeakPolarHBondContact O-CA 3.34Å; E194-G198 PolarHBondContact O-N 2.89Å; G198-V200 WeakPolarHBondContact O-CG2 3.41Å; G198-V200 PolarHBondContact O-N 3.06Å
199A84.7Confident86.9Confident45 Ų4546.1 Ų46.137%0.37225%0.248SC..  trans-66.5129.8179.300000110.3I193 E194 S197I193-A199 WeakPolarHBondContact CA-O 3.05Å; E194-A199 PolarHBondContact N-O 2.91Å; S197-A199 PolarHBondContact O-N 2.98Å; S197-A199 VanDerWaalsContact OG-CB 3.28Å; S197-A199 WeakPolarHBondContact OG-CB 3.34Å; S197-A199 PolarHBondContact OG-N 2.73Å
200V89.4Confident85.7Confident14 Ų1448.7 Ų48.79%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-110.8141.4-179.6-173.70000109.4I176 L180 V185 I191 Y192 I193 G198I176-V200 HydrophobicContact CG2-CG2 3.56Å; L180-V200 HydrophobicContact CD2-CG1 3.71Å; L180-V200 HydrophobicContact CD2-CG2 4.33Å; L180-V200 HydrophobicContact CG-CG1 4.35Å; L180-V200 HydrophobicContact CG-CG2 4.18Å; V185-V200 HydrophobicContact CG2-CG1 4.41Å; I191-V200 HydrophobicContact CD1-CG1 4.28Å; Y192-V200 WeakPolarHBondContact O-CA 3.31Å; I193-V200 HydrophobicContact CG1-CG1 4.24Å; I193-V200 HydrophobicContact CG1-CG2 4.09Å; I193-V200 HydrophobicContact CG2-CG2 4.36Å; G198-V200 WeakPolarHBondContact O-CG2 3.41Å; G198-V200 PolarHBondContact O-N 3.06Å
201K90.3Very high84.3Confident135 Ų13553 Ų5359%0.58730%0.296SS*.EExtended strand (participates in β ladder)trans-136.3126.5172-166.5174.7-176.9179.70110.7I191 Y192I191-K201 WeakPolarHBondContact CA-O 3.5Å; Y192-K201 HydrophobicContact CD1-CB 4.25Å; Y192-K201 PolarHBondContact N-O 3.46Å; Y192-K201 PolarHBondContact O-N 2.96Å
202R92.2Very high82.4Confident68 Ų6862 Ų6226%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-76.3125.8171.8-170.1-178.1-179.3-135.1-4.8109.4V185 D189 E218V185-R202 HydrophobicContact CG2-CB 4.28Å; D189-R202 HydrophobicContact CB-CG 4.43Å; D189-R202 IonicContact OD1-CZ 2.82Å; D189-R202 IonicContact OD1-NE 2.81Å; D189-R202 PolarHBondContact OD1-NE 3.03Å; D189-R202 VanDerWaalsContact OD1-NE 3.17Å; D189-R202 IonicContact OD1-NH2 2.96Å; D189-R202 PolarHBondContact OD1-NH2 3.42Å; D189-R202 IonicContact OD2-CZ 3.95Å; D189-R202 IonicContact OD2-NE 3.57Å; D189-R202 PolarHBondContact OD2-NE 2.86Å; D189-R202 IonicContact OD2-NH2 3.13Å; R202-E218 IonicContact CZ-OE1 3.78Å; R202-E218 IonicContact NH1-OE1 3.61Å; R202-E218 PolarHBondContact NH1-OE1 2.96Å; R202-E218 IonicContact NH2-OE1 3.14Å; R202-E218 PolarHBondContact NH2-OE1 3.49Å; R202-E218 IonicContact NH2-OE2 2.77Å
203Q89.5Confident80.5Confident71 Ų7168.7 Ų68.733%0.33237%0.368SS..EExtended strand (participates in β ladder)trans-92.1-29.8176.9-64.2-172.2-4.600112.4V190 V221V190-Q203 HydrophobicContact CB-CB 4.48Å; V190-Q203 HydrophobicContact CG1-CB 4.38Å; V190-Q203 WeakPolarHBondContact O-CB 3.46Å; V190-Q203 PolarHBondContact O-N 3.36Å; Q203-V221 HydrophobicContact CB-CG2 4.44Å
204G89.3Confident78.8Confident7 Ų771.3 Ų71.37%0.07238%0.382CS..EExtended strand (participates in β ladder)trans150.6-178.9-17800000111.1V190 E219V190-G204 PolarHBondContact N-O 3.17Å; G204-E219 CarbonylContact C-O 3.46Å; G204-E219 WeakPolarHBondContact CA-O 3.43Å
205R89.3Confident77.4Confident47 Ų4778.6 Ų78.618%0.17742%0.421CS..EExtended strand (participates in β ladder)trans-82.4142176.7-166.2143.9-168.3150.57110.5F209 E218 E219 Y220 V221R205-F209 HydrophobicContact CG-CB 4.36Å; R205-E218 WeakPolarHBondContact CD-OE2 3.47Å; R205-E218 IonicContact CZ-OE2 2.68Å; R205-E218 IonicContact NE-OE2 2.72Å; R205-E218 IonicContact NH1-OE2 3.86Å; R205-E218 PolarHBondContact NH1-OE2 3.33Å; R205-E219 PolarHBondContact N-O 3.06Å; R205-Y220 HydrophobicContact CB-CD1 4.11Å; R205-Y220 HydrophobicContact CB-CE1 4.09Å; R205-Y220 HydrophobicContact CG-CD1 4.45Å; R205-Y220 HydrophobicContact CG-CE1 4.06Å; R205-Y220 CarbonylContact O-C 3.58Å; R205-Y220 WeakPolarHBondContact O-CA 3.29Å; R205-V221 PolarHBondContact O-N 3.39Å
206C86.1Confident76.3Confident0 Ų082.6 Ų82.60%043%0.433CS..EExtended strand (participates in β ladder)trans-70.9135.1-179.5-168.70000111.6E134 G188 V190 T208 F209 V221E134-C206 HydrophobicContact CG-CB 4.02Å; G188-C206 WeakPolarHBondContact O-CB 3.43Å; G188-C206 PolarHBondContact O-N 3.06Å; V190-C206 HydrophobicContact CG2-CB 3.9Å; C206-T208 PolarHBondContact O-N 3.17Å; C206-T208 PolarHBondContact SG-OG1 3.21Å; C206-F209 HydrophobicContact CB-CD2 4.1Å; C206-F209 PolarHBondContact O-N 3.44Å; C206-V221 WeakPolarHBondContact CA-O 3.42Å
207D83.9Confident75.4Confident74 Ų7481.7 Ų81.740%0.39644%0.444SS..G310 helixtrans-52.3-27.2179.2-63.9-8.3000113.6F209 A210 Y220 V221 P222D207-F209 PolarHBondContact O-N 3.45Å; D207-F209 VanDerWaalsContact O-N 3.15Å; D207-A210 VanDerWaalsContact O-CB 3.25Å; D207-A210 WeakPolarHBondContact O-CB 3.44Å; D207-A210 PolarHBondContact O-N 2.92Å; D207-Y220 VanDerWaalsContact OD1-C 3.31Å; D207-Y220 WeakPolarHBondContact OD1-CB 3.49Å; D207-V221 PolarHBondContact N-O 3.49Å; D207-V221 VanDerWaalsContact N-O 3.1Å; D207-V221 PolarHBondContact OD1-N 2.99Å; D207-V221 VanDerWaalsContact OD1-N 3.12Å; D207-P222 VanDerWaalsContact OD2-CA 3.24Å; D207-P222 WeakPolarHBondContact OD2-CA 3.49Å; D207-P222 WeakPolarHBondContact OD2-CB 3.12Å
208T76.1Confident74.9Confident104 Ų10480.6 Ų80.664%0.63843%0.431SS*.G310 helixtrans-62.3-19.4176.3-3.90000113.7C206C206-T208 PolarHBondContact O-N 3.17Å; C206-T208 PolarHBondContact SG-OG1 3.21Å
209F71.9Confident74.7Confident82 Ų8287.2 Ų87.236%0.3646%0.459SS..G310 helixtrans-101.31.9176.7-64.9-91.2000112.9E134 R205 C206 D207 T211E134-F209 HydrophobicContact CG-CE2 4.5Å; E134-F209 WeakPolarHBondContact OE1-CE2 3.37Å; R205-F209 HydrophobicContact CG-CB 4.36Å; C206-F209 HydrophobicContact CB-CD2 4.1Å; C206-F209 PolarHBondContact O-N 3.44Å; D207-F209 PolarHBondContact O-N 3.45Å; D207-F209 VanDerWaalsContact O-N 3.15Å; F209-T211 PolarHBondContact O-N 3.33Å
210A68.8Low74.7Confident53 Ų5388.3 Ų88.344%0.43845%0.454SS..  trans-66.897.4172.100000108.9D207 Y220D207-A210 VanDerWaalsContact O-CB 3.25Å; D207-A210 WeakPolarHBondContact O-CB 3.44Å; D207-A210 PolarHBondContact O-N 2.92Å; A210-Y220 VanDerWaalsContact CA-CE1 3.48Å; A210-Y220 HydrophobicContact CB-CD1 3.79Å; A210-Y220 HydrophobicContact CB-CE1 3.59Å; A210-Y220 HydrophobicContact CB-CG 4.43Å
211T64.6Low74.7Confident91 Ų9188.7 Ų88.756%0.55846%0.456SS*.  trans-84.8147.1169.565.20000109.3F209 F213 D214F209-T211 PolarHBondContact O-N 3.33Å; T211-F213 PolarHBondContact O-N 3.38Å; T211-D214 PolarHBondContact O-N 3.1Å
212E53Low74.8Confident189 Ų18986.5 Ų86.588%0.88346%0.456SS*.THydrogen-bonded Turntrans-62.2-3.4179.5-66.3-176.4163.700114.2
213F52.1Low74.7Confident179 Ų17985.5 Ų85.579%0.78546%0.455SS*.THydrogen-bonded Turntrans-118.56.8-174-62.6-76.7000114.3T211 L215T211-F213 PolarHBondContact O-N 3.38Å; F213-L215 PolarHBondContact O-N 3.18Å
214D55.9Low74.8Confident58 Ų5882.6 Ų82.631%0.3144%0.442SS..  trans-75.7111.8-179.3-157.1-3.2000110.9T211 E216 Y220T211-D214 PolarHBondContact O-N 3.1Å; D214-E216 VanDerWaalsContact C-N 3.25Å; D214-E216 WeakPolarHBondContact OD1-CB 3.49Å; D214-E216 PolarHBondContact OD1-N 2.78Å; D214-Y220 PolarHBondContact OD2-OH 3.46Å
215L57.7Low74.8Confident179 Ų17991 Ų9194%0.93748%0.477SS*.  trans-83.6-4.3177.1-72.1165.5000111.6F213F213-L215 PolarHBondContact O-N 3.18Å
216E62.1Low74.8Confident125 Ų12590.3 Ų90.358%0.58448%0.484SS*.SBendtrans-82.4131.5179.2-60.2-169.7168.200111.1D214 E218D214-E216 VanDerWaalsContact C-N 3.25Å; D214-E216 WeakPolarHBondContact OD1-CB 3.49Å; D214-E216 PolarHBondContact OD1-N 2.78Å; E216-E218 HydrophobicContact CB-CG 4.31Å; E216-E218 PolarHBondContact O-N 3.44Å
217A63.1Low75.1Confident114 Ų11494.1 Ų94.194%0.94251%0.505SS*.  trans-79.655.3178.900000111.2
218E70.9Confident75.6Confident45 Ų4591 Ų9121%0.2149%0.488CS..  trans-79142.5173.6-63.9-148.9111.600110.9R202 R205 E216 Y220R202-E218 IonicContact CZ-OE1 3.78Å; R202-E218 IonicContact NH1-OE1 3.61Å; R202-E218 PolarHBondContact NH1-OE1 2.96Å; R202-E218 IonicContact NH2-OE1 3.14Å; R202-E218 PolarHBondContact NH2-OE1 3.49Å; R202-E218 IonicContact NH2-OE2 2.77Å; R205-E218 WeakPolarHBondContact CD-OE2 3.47Å; R205-E218 IonicContact CZ-OE2 2.68Å; R205-E218 IonicContact NE-OE2 2.72Å; R205-E218 IonicContact NH1-OE2 3.86Å; R205-E218 PolarHBondContact NH1-OE2 3.33Å; E216-E218 HydrophobicContact CB-CG 4.31Å; E216-E218 PolarHBondContact O-N 3.44Å; E218-Y220 HydrophobicContact CB-CE2 4.34Å; E218-Y220 VanDerWaalsContact O-CD2 3.23Å; E218-Y220 WeakPolarHBondContact O-CD2 3.5Å; E218-Y220 PolarHBondContact O-N 3.21Å
219E78.9Confident76.4Confident152 Ų15288.9 Ų88.971%0.7147%0.471SS*.  trans-78.9110.3174.4-169.9171.5-178.700108.5G204 R205G204-E219 CarbonylContact C-O 3.46Å; G204-E219 WeakPolarHBondContact CA-O 3.43Å; R205-E219 PolarHBondContact N-O 3.06Å
220Y84Confident77.3Confident67 Ų6787.5 Ų87.526%0.26347%0.465SS..EExtended strand (participates in β ladder)trans-85.1130.4-179.9-75.9-84.7000111R205 D207 A210 D214 E218R205-Y220 HydrophobicContact CB-CD1 4.11Å; R205-Y220 HydrophobicContact CB-CE1 4.09Å; R205-Y220 HydrophobicContact CG-CD1 4.45Å; R205-Y220 HydrophobicContact CG-CE1 4.06Å; R205-Y220 CarbonylContact O-C 3.58Å; R205-Y220 WeakPolarHBondContact O-CA 3.29Å; D207-Y220 VanDerWaalsContact OD1-C 3.31Å; D207-Y220 WeakPolarHBondContact OD1-CB 3.49Å; A210-Y220 VanDerWaalsContact CA-CE1 3.48Å; A210-Y220 HydrophobicContact CB-CD1 3.79Å; A210-Y220 HydrophobicContact CB-CE1 3.59Å; A210-Y220 HydrophobicContact CB-CG 4.43Å; D214-Y220 PolarHBondContact OD2-OH 3.46Å; E218-Y220 HydrophobicContact CB-CE2 4.34Å; E218-Y220 VanDerWaalsContact O-CD2 3.23Å; E218-Y220 WeakPolarHBondContact O-CD2 3.5Å; E218-Y220 PolarHBondContact O-N 3.21Å
221V89.6Confident78.3Confident22 Ų2292 Ų9213%0.13348%0.475CS..EExtended strand (participates in β ladder)trans-127.1139.6-178.4-66.80000111.4V190 Q203 R205 C206 D207V190-V221 HydrophobicContact CB-CG2 3.63Å; V190-V221 HydrophobicContact CG1-CG2 4.4Å; V190-V221 HydrophobicContact CG2-CG2 3.69Å; Q203-V221 HydrophobicContact CB-CG2 4.44Å; R205-V221 PolarHBondContact O-N 3.39Å; C206-V221 WeakPolarHBondContact CA-O 3.42Å; D207-V221 PolarHBondContact N-O 3.49Å; D207-V221 VanDerWaalsContact N-O 3.1Å; D207-V221 PolarHBondContact OD1-N 2.99Å; D207-V221 VanDerWaalsContact OD1-N 3.12Å
222P90.9Very high79.2Confident90 Ų9092.2 Ų92.258%0.58447%0.468SS*.PPolyproline II helixtrans-70.2153.6-178.728.3-35.4000111.5D207D207-P222 VanDerWaalsContact OD2-CA 3.24Å; D207-P222 WeakPolarHBondContact OD2-CA 3.49Å; D207-P222 WeakPolarHBondContact OD2-CB 3.12Å
223L91.2Very high80.7Confident46 Ų4690.7 Ų90.724%0.24146%0.461CS..PPolyproline II helixtrans-55.7127.9175-169.370.2000110.7E134 A164 K225E134-L223 HydrophobicContact CB-CD1 3.55Å; E134-L223 HydrophobicContact CG-CD1 4.42Å; E134-L223 VanDerWaalsContact OE2-CD1 3.23Å; E134-L223 WeakPolarHBondContact OE2-CD1 3.44Å; A164-L223 HydrophobicContact CB-CD2 4.26Å; L223-K225 PolarHBondContact O-N 2.89Å
224P91.8Very high82.2Confident10 Ų1084.9 Ų84.97%0.06544%0.437CS..PPolyproline II helixtrans-59.2137.7-178.1-2735.2000112.8E132 T163 A164 V190E132-P224 HydrophobicContact CG-CB 4.24Å; E132-P224 HydrophobicContact CG-CG 4.06Å; E132-P224 WeakPolarHBondContact OE1-CB 3.27Å; T163-P224 WeakPolarHBondContact CB-O 3.34Å; T163-P224 HydrophobicContact CG2-CB 4.21Å; A164-P224 PolarHBondContact N-O 3.49Å; V190-P224 HydrophobicContact CG1-CG 3.53Å
225K88.9Confident83.7Confident185 Ų18585 Ų8580%0.80444%0.44SS*.PPolyproline II helixtrans-86.6144.5174-60.4-178.7-176.6178.30110.1L223L223-K225 PolarHBondContact O-N 2.89Å
226G90.2Very high85.1Confident32 Ų3281.9 Ų81.933%0.3342%0.42SS..SBendtrans95.6-167.8179.800000113.3T163 K165T163-G226 WeakPolarHBondContact CB-O 3.41Å; T163-G226 PolarHBondContact OG1-O 3.17Å; K165-G226 WeakPolarHBondContact CB-O 3.47Å
227D92.6Very high86.3Confident79 Ų7979.2 Ų79.242%0.42241%0.41SS..  trans-74.7149.4-178.4-62.9-64.7000112.2K165 H229K165-D227 VanDerWaalsContact CD-OD1 3.25Å; K165-D227 WeakPolarHBondContact CD-OD1 3.47Å; K165-D227 WeakPolarHBondContact CE-OD1 3.17Å; K165-D227 IonicContact NZ-OD1 2.73Å; K165-D227 PolarHBondContact NZ-OD1 3.23Å; K165-D227 IonicContact NZ-OD2 3.76Å; K165-D227 PolarHBondContact NZ-OD2 2.92Å; D227-H229 VanDerWaalsContact C-N 3.3Å; D227-H229 WeakPolarHBondContact CB-O 3.41Å; D227-H229 PolarHBondContact O-N 3.33Å
228V92.4Very high87.7Confident9 Ų974.7 Ų74.76%0.05537%0.371CS..SBendtrans-58-43.9174.1178.30000111Y131 E132 L161 T163 G166 K168Y131-V228 CarbonylContact C-O 3.51Å; Y131-V228 VanDerWaalsContact CA-O 3.27Å; Y131-V228 WeakPolarHBondContact CA-O 3.34Å; Y131-V228 HydrophobicContact CD1-CG1 4.43Å; E132-V228 PolarHBondContact N-O 3.46Å; L161-V228 HydrophobicContact CB-CG1 3.59Å; L161-V228 HydrophobicContact CD1-CG1 4Å; L161-V228 HydrophobicContact CG-CG1 4.46Å; T163-V228 HydrophobicContact CG2-CB 4.3Å; T163-V228 HydrophobicContact CG2-CG2 3.77Å; G166-V228 WeakPolarHBondContact O-CG2 3.45Å; K168-V228 HydrophobicContact CB-CB 4.07Å; K168-V228 HydrophobicContact CB-CG1 4.01Å; K168-V228 HydrophobicContact CB-CG2 4.06Å
229H93.5Very high88.7Confident60 Ų6073.7 Ų73.728%0.27837%0.368SS..EExtended strand (participates in β ladder)trans-101.1120.5175.7-178.8-127.5000109.3Y131 D227Y131-H229 HydrophobicContact CD1-CB 3.85Å; Y131-H229 AromaticContact CD1-CD2 3.91Å; Y131-H229 HydrophobicContact CE1-CB 3.59Å; Y131-H229 AromaticContact CE1-CD2 3.47Å; Y131-H229 VanDerWaalsContact CE1-CD2 3.47Å; Y131-H229 WeakPolarHBondContact CE1-CD2 3.35Å; Y131-H229 AromaticContact CE1-CG 3.63Å; Y131-H229 AromaticContact CE2-CD2 3.78Å; Y131-H229 AromaticContact CZ-CD2 3.38Å; Y131-H229 AromaticContact CZ-CG 3.91Å; Y131-H229 AromaticContact CZ-NE2 3.92Å; D227-H229 VanDerWaalsContact C-N 3.3Å; D227-H229 WeakPolarHBondContact CB-O 3.41Å; D227-H229 PolarHBondContact O-N 3.33Å
230K90.7Very high89.3Confident53 Ų5366.6 Ų66.623%0.2334%0.335CS..EExtended strand (participates in β ladder)trans-144.8156.7-179.461.1-167174.3-1690111.5V130 E132V130-K230 HydrophobicContact CG2-CD 4.48Å; V130-K230 HydrophobicContact CG2-CG 3.55Å; V130-K230 WeakPolarHBondContact CG2-O 3.44Å; V130-K230 PolarHBondContact N-O 3.21Å; V130-K230 PolarHBondContact O-N 3.4Å; E132-K230 IonicContact OE1-NZ 2.72Å; E132-K230 PolarHBondContact OE1-NZ 2.85Å; E132-K230 WeakPolarHBondContact OE2-CE 3.41Å; E132-K230 IonicContact OE2-NZ 2.81Å; E132-K230 PolarHBondContact OE2-NZ 2.88Å
231K89.9Confident89.6Confident148 Ų14864.1 Ų64.164%0.64333%0.326SS*.EExtended strand (participates in β ladder)trans-89.7123168.5-72.4-178.6176.5-168.60108.2T127 E129T127-K231 HydrophobicContact CG2-CB 4.03Å; T127-K231 HydrophobicContact CG2-CD 4.46Å; T127-K231 HydrophobicContact CG2-CG 4.42Å; E129-K231 HydrophobicContact CG-CG 3.96Å; E129-K231 WeakPolarHBondContact OE1-CE 3.46Å; E129-K231 IonicContact OE1-NZ 3.33Å; E129-K231 PolarHBondContact OE1-NZ 3.06Å
232K84.7Confident89.7Confident94 Ų9467.1 Ų67.141%0.40934%0.341SS..EExtended strand (participates in β ladder)trans-114.9120178.5-168.2172-174.8172.90108.8K128 V130 I234K128-K232 PolarHBondContact N-O 3.37Å; K128-K232 PolarHBondContact O-N 2.9Å; V130-K232 HydrophobicContact CG1-CB 4.05Å; V130-K232 HydrophobicContact CG2-CB 3.87Å; V130-K232 HydrophobicContact CG2-CD 4.5Å; K232-I234 PolarHBondContact O-N 3.47Å
233E84.1Confident89.6Confident157 Ų15764.9 Ų64.973%0.73432%0.324SS*.EExtended strand (participates in β ladder)trans-74118.6169.1-68.1-176.4-176.900108.8
234I82.9Confident89.6Confident57 Ų5762.7 Ų62.729%0.29231%0.313SS..EExtended strand (participates in β ladder)trans-104.6119.4174.3-55.6-172.1000107E126 K128 K232E126-I234 PolarHBondContact N-O 3.43Å; E126-I234 PolarHBondContact O-N 3.17Å; K128-I234 HydrophobicContact CB-CD1 4.11Å; K128-I234 HydrophobicContact CB-CG1 4.48Å; K128-I234 HydrophobicContact CD-CD1 3.57Å; K128-I234 HydrophobicContact CG-CD1 3.74Å; K128-I234 HydrophobicContact CG-CG1 4.17Å; K232-I234 PolarHBondContact O-N 3.47Å
235V86.8Confident89.3Confident62 Ų6265 Ų6538%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-102.1115.4172.9-175.10000107.6R123 I124 K125R123-V235 HydrophobicContact CG-CG1 3.63Å; I124-V235 WeakPolarHBondContact O-CA 3.25Å; K125-V235 HydrophobicContact CG-CG2 4.3Å
236Q87.3Confident89.1Confident112 Ų11259 Ų5952%0.52331%0.311SS..EExtended strand (participates in β ladder)trans-111.4124.1175.9-166.6179.1-1200109.4I124 V238I124-Q236 PolarHBondContact N-O 3.48Å; I124-Q236 PolarHBondContact O-N 2.93Å; Q236-V238 HydrophobicContact CG-CG1 3.97Å
237D88.8Confident88.7Confident69 Ų6962 Ų6237%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-99.1117.2174.2-62.5-66.5000107.4K90 R123K90-D237 WeakPolarHBondContact CD-OD2 3.42Å; K90-D237 IonicContact NZ-OD2 3.31Å; K90-D237 PolarHBondContact NZ-OD2 3.3Å; R123-D237 IonicContact CZ-OD1 3.31Å; R123-D237 VanDerWaalsContact CZ-OD1 3.31Å; R123-D237 IonicContact NE-OD1 3.98Å; R123-D237 PolarHBondContact NE-OD1 3.36Å; R123-D237 IonicContact NH2-OD1 2.91Å; R123-D237 PolarHBondContact NH2-OD1 3.2Å; R123-D237 IonicContact NH2-OD2 2.96Å
238V91.1Very high88.2Confident20 Ų2060.3 Ų60.312%0.12132%0.317CS..EExtended strand (participates in β ladder)trans-126.6149.3176.7-63.20000110.2G121 L122 I124 Q236 L243G121-V238 CarbonylContact C-O 3.58Å; L122-V238 HydrophobicContact CB-CG2 4.03Å; L122-V238 HydrophobicContact CD2-CG2 4.43Å; L122-V238 PolarHBondContact N-O 3.34Å; L122-V238 PolarHBondContact O-N 3.44Å; I124-V238 HydrophobicContact CD1-CG2 4.08Å; Q236-V238 HydrophobicContact CG-CG1 3.97Å; V238-L243 HydrophobicContact CG2-CD1 4.4Å; V238-L243 HydrophobicContact CG2-CD2 4.37Å; V238-L243 HydrophobicContact CG2-CG 4.35Å
239T92.1Very high87.2Confident24 Ų2464 Ų6415%0.14733%0.329CS..EExtended strand (participates in β ladder)trans-89.4158.4171.470.90000111R118 I120 H241 D242 L243R118-T239 WeakPolarHBondContact O-CG2 3.36Å; I120-T239 WeakPolarHBondContact O-CA 3.43Å; T239-H241 PolarHBondContact O-N 3.17Å; T239-H241 PolarHBondContact OG1-N 2.91Å; T239-D242 WeakPolarHBondContact CB-OD2 3.31Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 2.88Å; T239-D242 VanDerWaalsContact O-N 3.16Å; T239-D242 PolarHBondContact OG1-N 3.49Å; T239-D242 VanDerWaalsContact OG1-N 3.16Å; T239-D242 PolarHBondContact OG1-OD1 2.75Å; T239-D242 PolarHBondContact OG1-OD2 2.93Å; T239-L243 PolarHBondContact O-N 2.79Å
240L91.3Very high85.7Confident2 Ų266 Ų661%0.0135%0.348CS..Hα-helixtrans-62-30.1172.8-64.9-174.5000111.8R117 I120 L243 D244 V283R117-L240 HydrophobicContact CB-CB 4.31Å; R117-L240 PolarHBondContact O-N 2.86Å; I120-L240 HydrophobicContact CB-CD1 3.84Å; I120-L240 HydrophobicContact CB-CG 4.06Å; I120-L240 HydrophobicContact CD1-CD1 3.99Å; I120-L240 HydrophobicContact CG2-CD1 3.53Å; I120-L240 HydrophobicContact CG2-CG 3.83Å; I120-L240 PolarHBondContact O-N 3.05Å; L240-L243 HydrophobicContact CD2-CD1 4.36Å; L240-L243 PolarHBondContact O-N 3.47Å; L240-D244 PolarHBondContact O-N 2.81Å; L240-V283 HydrophobicContact CD2-CG1 4.21Å; L240-V283 HydrophobicContact CD2-CG2 3.89Å
241H92Very high84Confident15 Ų1572.2 Ų72.27%0.06938%0.378CS..Hα-helixtrans-66.5-39175.2-179.770.6000112.3R117 R118 T239 L243 D244 V245R117-H241 HydrophobicContact CB-CB 3.83Å; R117-H241 PolarHBondContact O-N 3Å; R118-H241 HydrophobicContact CB-CB 4.38Å; R118-H241 HydrophobicContact CG-CB 3.54Å; R118-H241 PolarHBondContact NE-CD2 3.26Å; R118-H241 PolarHBondContact NE-NE2 2.88Å; R118-H241 VanDerWaalsContact NE-NE2 3.15Å; R118-H241 PolarHBondContact NH2-NE2 3.25Å; T239-H241 PolarHBondContact O-N 3.17Å; T239-H241 PolarHBondContact OG1-N 2.91Å; H241-L243 VanDerWaalsContact C-N 3.27Å; H241-L243 PolarHBondContact O-N 3.32Å; H241-D244 PolarHBondContact O-N 2.88Å; H241-V245 WeakPolarHBondContact O-CG2 3.5Å; H241-V245 PolarHBondContact O-N 3.01Å
242D90.5Very high82.2Confident85 Ų8567.9 Ų67.946%0.45538%0.376SS..Hα-helixtrans-62.2-39.6177.3-58.2-41.7000110.9T239 A246T239-D242 WeakPolarHBondContact CB-OD2 3.31Å; T239-D242 PolarHBondContact N-OD2 3.34Å; T239-D242 PolarHBondContact O-N 2.88Å; T239-D242 VanDerWaalsContact O-N 3.16Å; T239-D242 PolarHBondContact OG1-N 3.49Å; T239-D242 VanDerWaalsContact OG1-N 3.16Å; T239-D242 PolarHBondContact OG1-OD1 2.75Å; T239-D242 PolarHBondContact OG1-OD2 2.93Å; D242-A246 WeakPolarHBondContact O-CB 3.29Å; D242-A246 PolarHBondContact O-N 3.2Å
243L89.3Confident80.5Confident44 Ų4464.9 Ų64.923%0.2337%0.371CS..Hα-helixtrans-65.6-44.6173.1-62.8178.1000111.7L122 V238 T239 L240 H241 V245 A246 N247 I279 V283L122-L243 HydrophobicContact CD2-CD1 4.1Å; V238-L243 HydrophobicContact CG2-CD1 4.4Å; V238-L243 HydrophobicContact CG2-CD2 4.37Å; V238-L243 HydrophobicContact CG2-CG 4.35Å; T239-L243 PolarHBondContact O-N 2.79Å; L240-L243 HydrophobicContact CD2-CD1 4.36Å; L240-L243 PolarHBondContact O-N 3.47Å; H241-L243 VanDerWaalsContact C-N 3.27Å; H241-L243 PolarHBondContact O-N 3.32Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 3.37Å; L243-A246 PolarHBondContact O-N 3.3Å; L243-N247 PolarHBondContact O-N 2.91Å; L243-N247 VanDerWaalsContact O-N 3.12Å; L243-N247 PolarHBondContact O-ND2 3.29Å; L243-I279 HydrophobicContact CB-CG2 4.18Å; L243-V283 HydrophobicContact CD1-CG2 4Å
244D90.1Very high79.1Confident0 Ų066.3 Ų66.30%038%0.378CS..Hα-helixtrans-58-47.1177.2-69.2-18.3000111R117 L240 H241 A248 I271 R276 I279R117-D244 VanDerWaalsContact CD-OD2 3.29Å; R117-D244 WeakPolarHBondContact CD-OD2 3.44Å; R117-D244 WeakPolarHBondContact CG-OD2 3.26Å; R117-D244 IonicContact CZ-OD2 3.63Å; R117-D244 IonicContact NE-OD2 2.79Å; R117-D244 IonicContact NH1-OD1 3.41Å; R117-D244 IonicContact NH1-OD2 3.52Å; L240-D244 PolarHBondContact O-N 2.81Å; H241-D244 PolarHBondContact O-N 2.88Å; D244-A248 WeakPolarHBondContact O-CB 3.43Å; D244-A248 PolarHBondContact O-N 2.86Å; D244-I271 HydrophobicContact CB-CD1 3.6Å; D244-I271 HydrophobicContact CB-CG2 4.46Å; D244-R276 IonicContact OD2-NE 3.69Å; D244-I279 HydrophobicContact CB-CD1 4.32Å; D244-I279 WeakPolarHBondContact OD1-CD1 3.23Å
245V86.5Confident77.9Confident59 Ų5969.4 Ų69.436%0.35840%0.395SS..Hα-helixtrans-69-43.7-179.7173.20000111.8H241 L243 N247 A248 R249 I271H241-V245 WeakPolarHBondContact O-CG2 3.5Å; H241-V245 PolarHBondContact O-N 3.01Å; L243-V245 VanDerWaalsContact C-N 3.35Å; L243-V245 PolarHBondContact O-N 3.37Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 2.9Å; V245-A248 PolarHBondContact O-N 3.16Å; V245-R249 PolarHBondContact O-N 3.5Å; V245-I271 HydrophobicContact CG2-CD1 4.42Å
246A83.7Confident76.5Confident59 Ų5973 Ų7349%0.48841%0.411SS..Hα-helixtrans-61.5-35.7-179.900000112.5D242 L243 R249D242-A246 WeakPolarHBondContact O-CB 3.29Å; D242-A246 PolarHBondContact O-N 3.2Å; L243-A246 PolarHBondContact O-N 3.3Å; A246-R249 CarbonylContact O-C 3.5Å
247N83.6Confident75.2Confident95 Ų9574.5 Ų74.551%0.50842%0.422SS..Hα-helixtrans-83.2-33.6177.2-72.4-80.4000112.9L243 V245 R249 L275 I279L243-N247 PolarHBondContact O-N 2.91Å; L243-N247 VanDerWaalsContact O-N 3.12Å; L243-N247 PolarHBondContact O-ND2 3.29Å; V245-N247 VanDerWaalsContact C-N 3.27Å; V245-N247 PolarHBondContact O-N 2.9Å; N247-R249 VanDerWaalsContact C-N 3.34Å; N247-L275 HydrophobicContact CB-CD1 4.19Å; N247-L275 HydrophobicContact CB-CD2 4.38Å; N247-I279 HydrophobicContact CB-CD1 4.18Å
248A81Confident74Confident43 Ų4372.9 Ų72.936%0.35542%0.416SS..Hα-helixtrans-72-29.1176.500000112.7D244 V245 I271 L275D244-A248 WeakPolarHBondContact O-CB 3.43Å; D244-A248 PolarHBondContact O-N 2.86Å; V245-A248 PolarHBondContact O-N 3.16Å; A248-I271 HydrophobicContact CB-CD1 4.46Å; A248-I271 HydrophobicContact CB-CG1 4.46Å; A248-L275 HydrophobicContact CB-CD2 3.84Å
249R71.7Confident72.5Confident85 Ų8577.2 Ų77.232%0.32144%0.436SS..SBendtrans-133.888.9176.9-66.6-176.7-175.6-174.1-0.7109.7V245 A246 N247 Q251 K267 T269V245-R249 PolarHBondContact O-N 3.5Å; A246-R249 CarbonylContact O-C 3.5Å; N247-R249 VanDerWaalsContact C-N 3.34Å; R249-Q251 PolarHBondContact O-N 2.67Å; R249-K267 PolarHBondContact NH1-O 3.3Å; R249-K267 PolarHBondContact NH2-O 3.07Å; R249-T269 PolarHBondContact NE-OG1 3.19Å; R249-T269 PolarHBondContact NH2-OG1 2.97Å
250P62.5Low71Confident104 Ų10481.2 Ų81.268%0.67545%0.454SS*.  trans-59.9110.9175-4.912.2000109.2G252P250-G252 PolarHBondContact O-N 2.93Å
251Q54.8Low69.6Low182 Ų18283.4 Ų83.485%0.8548%0.478SS*.THydrogen-bonded Turntrans-77.2119169.9-70.2-165-5.100108.1R249R249-Q251 PolarHBondContact O-N 2.67Å
252G51.7Low68.2Low58 Ų5888.3 Ų88.360%0.59850%0.5SS*.THydrogen-bonded Turntrans119.114.9174.600000116.6P250 Q254P250-G252 PolarHBondContact O-N 2.93Å; G252-Q254 PolarHBondContact O-N 3.47Å
253G49.8Very low66.7Low31 Ų3191.9 Ų91.932%0.3252%0.519SS..  trans-61.1126.9165.200000110.6D255 S258G253-D255 PolarHBondContact O-N 3.46Å; G253-S258 WeakPolarHBondContact CA-OG 3.42Å; G253-S258 PolarHBondContact O-OG 3.45Å
254Q53.7Low65.7Low187 Ų18795.9 Ų95.987%0.87454%0.538SS*.  trans-72-1.8173.7-74.8-175.3-2000113.1G252G252-Q254 PolarHBondContact O-N 3.47Å
255D57.9Low64.5Low121 Ų121105.1 Ų105.165%0.64758%0.578SS**SBendtrans-76.1143.7-178-67.8-29.2000112G253 L257 S258 M259G253-D255 PolarHBondContact O-N 3.46Å; D255-L257 PolarHBondContact O-N 2.94Å; D255-S258 PolarHBondContact N-OG 2.93Å; D255-S258 PolarHBondContact O-N 3.12Å; D255-S258 PolarHBondContact O-OG 3.32Å; D255-M259 PolarHBondContact O-N 2.87Å
256I58Low63.5Low138 Ų138106.9 Ų106.971%0.70859%0.59SS**Hα-helixtrans-53.3-34.3179.3-64.8165.8000111.1M259 M260I256-M259 PolarHBondContact O-N 3.35Å; I256-M260 HydrophobicContact CG2-SD 4.46Å; I256-M260 WeakPolarHBondContact O-CB 3.19Å; I256-M260 WeakPolarHBondContact O-CG 3.07Å; I256-M260 PolarHBondContact O-N 3.03Å
257L58.8Low62.9Low144 Ų144111.4 Ų111.475%0.75460%0.599SS**Hα-helixtrans-70.4-38.4178.9-167.966.2000112.8D255 M260 G261D255-L257 PolarHBondContact O-N 2.94Å; L257-M260 PolarHBondContact O-N 3.19Å; L257-G261 PolarHBondContact O-N 2.87Å
258S63.7Low62.3Low35 Ų35111.7 Ų111.725%0.24560%0.596CS.*Hα-helixtrans-72.6-33174.939.90000112.1G253 D255 G261 Q262G253-S258 WeakPolarHBondContact CA-OG 3.42Å; G253-S258 PolarHBondContact O-OG 3.45Å; D255-S258 PolarHBondContact N-OG 2.93Å; D255-S258 PolarHBondContact O-N 3.12Å; D255-S258 PolarHBondContact O-OG 3.32Å; S258-G261 PolarHBondContact O-N 3.22Å; S258-Q262 WeakPolarHBondContact O-CG 3.3Å; S258-Q262 PolarHBondContact O-N 3.46Å
259M60Low62.2Low110 Ų110113 Ų11354%0.54260%0.599SS.*Hα-helixtrans-67.4-41.3171.7-64.6-17210800111.9D255 I256 Q262 L263D255-M259 PolarHBondContact O-N 2.87Å; I256-M259 PolarHBondContact O-N 3.35Å; M259-Q262 PolarHBondContact O-N 3.44Å; M259-L263 PolarHBondContact O-N 3.07Å
260M61Low62.9Low109 Ų109112.8 Ų112.854%0.53760%0.602SS.*Hα-helixtrans-66.8-37.7173.5-75.4-17484.300112.2I256 L257 Q262 L263 M264I256-M260 HydrophobicContact CG2-SD 4.46Å; I256-M260 WeakPolarHBondContact O-CB 3.19Å; I256-M260 WeakPolarHBondContact O-CG 3.07Å; I256-M260 PolarHBondContact O-N 3.03Å; L257-M260 PolarHBondContact O-N 3.19Å; M260-Q262 VanDerWaalsContact C-N 3.26Å; M260-Q262 PolarHBondContact O-N 3.04Å; M260-L263 PolarHBondContact O-N 2.96Å; M260-L263 VanDerWaalsContact O-N 3.14Å; M260-M264 PolarHBondContact O-N 3.21Å
261G61.6Low64Low48 Ų48108.4 Ų108.450%0.49557%0.573SS.*Hα-helixtrans-62.8-30.3174.800000113.5L257 S258L257-G261 PolarHBondContact O-N 2.87Å; S258-G261 PolarHBondContact O-N 3.22Å
262Q61.7Low65.6Low117 Ų117104 Ų10455%0.54756%0.559SS.*Hα-helixtrans-75.8-29172.6-74.4176.1-14.600113.1S258 M259 M260S258-Q262 WeakPolarHBondContact O-CG 3.3Å; S258-Q262 PolarHBondContact O-N 3.46Å; M259-Q262 PolarHBondContact O-N 3.44Å; M260-Q262 VanDerWaalsContact C-N 3.26Å; M260-Q262 PolarHBondContact O-N 3.04Å
263L61Low67.4Low161 Ų161107.3 Ų107.384%0.84356%0.562SS**Hα-helixtrans-77.3-27.4173.7-102.199.1000113.2M259 M260M259-L263 PolarHBondContact O-N 3.07Å; M260-L263 PolarHBondContact O-N 2.96Å; M260-L263 VanDerWaalsContact O-N 3.14Å
264M66.9Low69.3Low128 Ų128113.9 Ų113.963%0.63158%0.582SS**SBendtrans-82.5146.8177.2-69.2-146179.900111.9M260 P266M260-M264 PolarHBondContact O-N 3.21Å; M264-P266 WeakPolarHBondContact O-CD 3.39Å; M264-P266 VanDerWaalsContact O-N 3.17Å
265K65.5Low71Confident194 Ų194106.6 Ų106.684%0.84355%0.549SS*.  trans-57.7122.7176.5-168.8179.1-178.2-176.90109.1K267K265-K267 PolarHBondContact O-N 3.34Å
266P64.9Low72.6Confident95 Ų95101.2 Ų101.262%0.61752%0.52SS*.  trans-66.1112.1-178.923.7-31.2000109.3M264M264-P266 WeakPolarHBondContact O-CD 3.39Å; M264-P266 VanDerWaalsContact O-N 3.17Å
267K70.8Confident74.2Confident155 Ų15596.8 Ų96.867%0.67450%0.504SS*.  trans-63.5156.1166.4-69.9-172.9175.2-1770109.3R249 K265R249-K267 PolarHBondContact NH1-O 3.3Å; R249-K267 PolarHBondContact NH2-O 3.07Å; K265-K267 PolarHBondContact O-N 3.34Å
268K71.9Confident75.8Confident101 Ų10195.5 Ų95.544%0.43949%0.494SS..  trans-73.6138163-64.5-171.7178.2-1700109.2E105 I106E105-K268 HydrophobicContact CB-CB 4.19Å; E105-K268 VanDerWaalsContact OE2-CB 3.28Å; E105-K268 WeakPolarHBondContact OE2-CB 3.21Å; E105-K268 WeakPolarHBondContact OE2-CG 3.2Å; E105-K268 PolarHBondContact OE2-N 3.11Å; I106-K268 HydrophobicContact CD1-CB 4.41Å; I106-K268 HydrophobicContact CD1-CD 3.9Å; I106-K268 HydrophobicContact CG1-CD 4.32Å; I106-K268 HydrophobicContact CG2-CB 3.81Å
269T78.4Confident77.1Confident69 Ų6994.4 Ų94.442%0.42349%0.485SS..  trans-126.6133.1176.347.70000108.7R249R249-T269 PolarHBondContact NE-OG1 3.19Å; R249-T269 PolarHBondContact NH2-OG1 2.97Å
270E85.9Confident78.6Confident82 Ų8291 Ų9138%0.38347%0.469SS..PPolyproline II helixtrans-60.8136.6175.8-55.3-170.1161.700110.5I106 K107 E110I106-E270 HydrophobicContact CB-CG 4.11Å; I106-E270 HydrophobicContact CG2-CG 3.8Å; K107-E270 VanDerWaalsContact CD-OE1 3.28Å; K107-E270 WeakPolarHBondContact CD-OE1 3.32Å; K107-E270 WeakPolarHBondContact CE-OE1 3.37Å; K107-E270 WeakPolarHBondContact CG-OE1 3.29Å; K107-E270 PolarHBondContact N-OE1 3.25Å; K107-E270 IonicContact NZ-OE1 3.51Å; K107-E270 IonicContact NZ-OE2 2.73Å; K107-E270 PolarHBondContact NZ-OE2 2.86Å; E110-E270 HydrophobicContact CG-CB 4.26Å; E110-E270 HydrophobicContact CG-CG 4.23Å
271I87.1Confident80.1Confident11 Ų1192.7 Ų92.76%0.05647%0.474CS..PPolyproline II helixtrans-93.8124.1176.4-56-173.3000108.6E110 D244 V245 A248 L275 R276E110-I271 PolarHBondContact OE1-N 3.18Å; D244-I271 HydrophobicContact CB-CD1 3.6Å; D244-I271 HydrophobicContact CB-CG2 4.46Å; V245-I271 HydrophobicContact CG2-CD1 4.42Å; A248-I271 HydrophobicContact CB-CD1 4.46Å; A248-I271 HydrophobicContact CB-CG1 4.46Å; I271-L275 HydrophobicContact CG2-CB 4.4Å; I271-L275 HydrophobicContact CG2-CD2 3.93Å; I271-R276 HydrophobicContact CG2-CG 4.1Å; I271-R276 PolarHBondContact O-NH1 3.14Å
272T88.5Confident81.5Confident91 Ų9193.4 Ų93.456%0.55847%0.468SS*.PPolyproline II helixtrans-66.4145.9-177.1710000112.1K274 L275 R276T272-K274 PolarHBondContact O-N 3.34Å; T272-L275 PolarHBondContact O-N 2.74Å; T272-L275 PolarHBondContact OG1-N 2.92Å; T272-R276 PolarHBondContact O-N 3.14Å
273D87.9Confident82.9Confident126 Ų12688.1 Ų88.167%0.67444%0.444SS*.Hα-helixtrans-61.2-28.3176.2-69.6-32.3000112.8R276 A277D273-R276 PolarHBondContact O-N 3.47Å; D273-A277 WeakPolarHBondContact O-CB 3.49Å; D273-A277 PolarHBondContact O-N 2.73Å
274K90.5Very high84.4Confident169 Ų16984.2 Ų84.274%0.73542%0.424SS*.Hα-helixtrans-62.7-49.2174.7-70.8-174.6179.3-179.30111.4T272 R276 A277 E278T272-K274 PolarHBondContact O-N 3.34Å; K274-R276 VanDerWaalsContact C-N 3.33Å; K274-R276 PolarHBondContact O-N 3.46Å; K274-A277 WeakPolarHBondContact O-CB 3.44Å; K274-A277 PolarHBondContact O-N 2.81Å; K274-E278 WeakPolarHBondContact O-CG 3.31Å; K274-E278 PolarHBondContact O-N 2.78Å
275L89.8Confident85.6Confident35 Ų3584.9 Ų84.918%0.18342%0.419CS..Hα-helixtrans-60.9-44.5178-176.664.2000110.9N247 A248 I271 T272 A277 E278 I279N247-L275 HydrophobicContact CB-CD1 4.19Å; N247-L275 HydrophobicContact CB-CD2 4.38Å; A248-L275 HydrophobicContact CB-CD2 3.84Å; I271-L275 HydrophobicContact CG2-CB 4.4Å; I271-L275 HydrophobicContact CG2-CD2 3.93Å; T272-L275 PolarHBondContact O-N 2.74Å; T272-L275 PolarHBondContact OG1-N 2.92Å; L275-A277 VanDerWaalsContact C-N 3.3Å; L275-A277 PolarHBondContact O-N 3.32Å; L275-E278 PolarHBondContact O-N 2.91Å; L275-I279 HydrophobicContact CD1-CD1 4.28Å; L275-I279 HydrophobicContact CD2-CD1 4.47Å; L275-I279 HydrophobicContact CG-CD1 3.9Å; L275-I279 WeakPolarHBondContact O-CG1 3.5Å; L275-I279 PolarHBondContact O-N 3.02Å
276R90.7Very high86.9Confident8 Ų880.1 Ų80.13%0.0340%0.397CS..Hα-helixtrans-60.2-38.9175.7-77.5177.4172.1143.54.5113E110 M113 D244 I271 T272 D273 K274 N280E110-R276 IonicContact OE1-CZ 3.1Å; E110-R276 IonicContact OE1-NH1 3.92Å; E110-R276 IonicContact OE1-NH2 3.73Å; E110-R276 PolarHBondContact OE1-NH2 3.39Å; E110-R276 IonicContact OE2-CZ 3.43Å; E110-R276 IonicContact OE2-NH1 2.78Å; E110-R276 PolarHBondContact OE2-NH1 2.84Å; E110-R276 IonicContact OE2-NH2 3.24Å; E110-R276 PolarHBondContact OE2-NH2 2.83Å; M113-R276 VanDerWaalsContact CG-NH1 3.33Å; D244-R276 IonicContact OD2-NE 3.69Å; I271-R276 HydrophobicContact CG2-CG 4.1Å; I271-R276 PolarHBondContact O-NH1 3.14Å; T272-R276 PolarHBondContact O-N 3.14Å; D273-R276 PolarHBondContact O-N 3.47Å; K274-R276 VanDerWaalsContact C-N 3.33Å; K274-R276 PolarHBondContact O-N 3.46Å; R276-N280 VanDerWaalsContact O-CB 3.31Å; R276-N280 WeakPolarHBondContact O-CB 3.23Å; R276-N280 PolarHBondContact O-N 2.83Å; R276-N280 PolarHBondContact O-ND2 2.94Å; R276-N280 PolarHBondContact O-OD1 3.44Å
277A91.2Very high88.1Confident45 Ų4578.2 Ų78.237%0.37238%0.381SS..Hα-helixtrans-67.4-38.5176.700000111.7D273 K274 L275 K281D273-A277 WeakPolarHBondContact O-CB 3.49Å; D273-A277 PolarHBondContact O-N 2.73Å; K274-A277 WeakPolarHBondContact O-CB 3.44Å; K274-A277 PolarHBondContact O-N 2.81Å; L275-A277 VanDerWaalsContact C-N 3.3Å; L275-A277 PolarHBondContact O-N 3.32Å; A277-K281 WeakPolarHBondContact O-CG 3.49Å; A277-K281 PolarHBondContact O-N 2.88Å; A277-K281 VanDerWaalsContact O-N 3.09Å
278E92.6Very high89.2Confident117 Ų11777.5 Ų77.555%0.54738%0.384SS..Hα-helixtrans-65.2-47.7174.2-72.4175.9-18000111.8K274 L275 N280 K281 V282K274-E278 WeakPolarHBondContact O-CG 3.31Å; K274-E278 PolarHBondContact O-N 2.78Å; L275-E278 PolarHBondContact O-N 2.91Å; E278-N280 VanDerWaalsContact C-N 3.32Å; E278-N280 PolarHBondContact O-N 3.17Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.21Å; E278-K281 VanDerWaalsContact O-N 3.11Å; E278-V282 PolarHBondContact O-N 3.37Å; E278-V282 VanDerWaalsContact O-N 3.12Å
279I91.6Very high90.1Very high12 Ų1278.5 Ų78.56%0.06239%0.39CS..Hα-helixtrans-58.9-45.6176.1-68.2169.9000110.2L243 D244 N247 L275 K281 V282 V283L243-I279 HydrophobicContact CB-CG2 4.18Å; D244-I279 HydrophobicContact CB-CD1 4.32Å; D244-I279 WeakPolarHBondContact OD1-CD1 3.23Å; N247-I279 HydrophobicContact CB-CD1 4.18Å; L275-I279 HydrophobicContact CD1-CD1 4.28Å; L275-I279 HydrophobicContact CD2-CD1 4.47Å; L275-I279 HydrophobicContact CG-CD1 3.9Å; L275-I279 WeakPolarHBondContact O-CG1 3.5Å; L275-I279 PolarHBondContact O-N 3.02Å; I279-K281 VanDerWaalsContact C-N 3.28Å; I279-K281 PolarHBondContact O-N 2.9Å; I279-V282 PolarHBondContact O-N 3.03Å; I279-V282 VanDerWaalsContact O-N 3.09Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CG2 3.48Å; I279-V283 PolarHBondContact O-N 3.3Å
280N91.4Very high90.7Very high39 Ų3978.3 Ų78.321%0.20940%0.402CS..Hα-helixtrans-59-38176.7-75-3.9000112.7R117 R276 E278 V283 N284R117-N280 VanDerWaalsContact CZ-OD1 3.25Å; R117-N280 PolarHBondContact NH1-OD1 2.93Å; R117-N280 VanDerWaalsContact NH2-CG 3.35Å; R117-N280 PolarHBondContact NH2-ND2 3.44Å; R117-N280 PolarHBondContact NH2-OD1 3.19Å; R276-N280 VanDerWaalsContact O-CB 3.31Å; R276-N280 WeakPolarHBondContact O-CB 3.23Å; R276-N280 PolarHBondContact O-N 2.83Å; R276-N280 PolarHBondContact O-ND2 2.94Å; R276-N280 PolarHBondContact O-OD1 3.44Å; E278-N280 VanDerWaalsContact C-N 3.32Å; E278-N280 PolarHBondContact O-N 3.17Å; N280-V283 PolarHBondContact O-N 3.35Å; N280-N284 WeakPolarHBondContact O-CB 3.34Å; N280-N284 PolarHBondContact O-N 3.15Å; N280-N284 PolarHBondContact O-ND2 3.06Å
281K92.2Very high90.9Very high144 Ų14476.8 Ų76.863%0.62640%0.398SS*.Hα-helixtrans-63.8-40.9175.3-72.9171.5-175.9178.20111.9A277 E278 I279 R285A277-K281 WeakPolarHBondContact O-CG 3.49Å; A277-K281 PolarHBondContact O-N 2.88Å; A277-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 WeakPolarHBondContact O-CB 3.45Å; E278-K281 PolarHBondContact O-N 3.21Å; E278-K281 VanDerWaalsContact O-N 3.11Å; I279-K281 VanDerWaalsContact C-N 3.28Å; I279-K281 PolarHBondContact O-N 2.9Å; K281-R285 PolarHBondContact O-N 2.9Å; K281-R285 VanDerWaalsContact O-N 3.11Å
282V91.5Very high91.1Very high62 Ų6276.6 Ų76.638%0.37640%0.399SS..Hα-helixtrans-67.6-45.4177.5177.90000110.8E278 I279 N284 R285 Y286E278-V282 PolarHBondContact O-N 3.37Å; E278-V282 VanDerWaalsContact O-N 3.12Å; I279-V282 PolarHBondContact O-N 3.03Å; I279-V282 VanDerWaalsContact O-N 3.09Å; V282-N284 PolarHBondContact O-N 3.5Å; V282-R285 WeakPolarHBondContact O-CB 3.47Å; V282-R285 PolarHBondContact O-N 2.97Å; V282-Y286 HydrophobicContact CG1-CE1 4.2Å; V282-Y286 PolarHBondContact O-N 2.86Å
283V91.6Very high91.2Very high7 Ų777 Ų774%0.04239%0.394CS..Hα-helixtrans-59.8-47.5177.7171.10000111L122 L240 L243 I279 N280 R285 Y286 I287L122-V283 HydrophobicContact CD1-CG1 3.86Å; L122-V283 HydrophobicContact CD2-CG1 4.18Å; L122-V283 HydrophobicContact CD2-CG2 4.11Å; L240-V283 HydrophobicContact CD2-CG1 4.21Å; L240-V283 HydrophobicContact CD2-CG2 3.89Å; L243-V283 HydrophobicContact CD1-CG2 4Å; I279-V283 HydrophobicContact CG2-CG2 4.15Å; I279-V283 WeakPolarHBondContact O-CG2 3.48Å; I279-V283 PolarHBondContact O-N 3.3Å; N280-V283 PolarHBondContact O-N 3.35Å; V283-R285 VanDerWaalsContact C-N 3.29Å; V283-R285 PolarHBondContact O-N 2.79Å; V283-Y286 PolarHBondContact O-N 2.87Å; V283-Y286 VanDerWaalsContact O-N 3.11Å; V283-I287 HydrophobicContact CG1-CD1 3.85Å; V283-I287 WeakPolarHBondContact O-CG1 2.94Å; V283-I287 PolarHBondContact O-N 3.19Å
284N91.8Very high91.2Very high78 Ų7873.1 Ų73.142%0.41737%0.373SS..Hα-helixtrans-59.6-41.4176.9-72.4-20.2000111.5N280 V282 Y286 I287 D288N280-N284 WeakPolarHBondContact O-CB 3.34Å; N280-N284 PolarHBondContact O-N 3.15Å; N280-N284 PolarHBondContact O-ND2 3.06Å; V282-N284 PolarHBondContact O-N 3.5Å; N284-Y286 VanDerWaalsContact C-N 3.32Å; N284-Y286 PolarHBondContact O-N 2.96Å; N284-I287 PolarHBondContact O-N 2.73Å; N284-I287 VanDerWaalsContact O-N 3.17Å; N284-D288 WeakPolarHBondContact O-CB 3.47Å; N284-D288 PolarHBondContact O-N 3.39Å
285R92.8Very high91.1Very high142 Ų14265.9 Ų65.954%0.53634%0.343SS..Hα-helixtrans-59.3-41.3175.2-171.6-172.7-60.4160.21.2112.3K281 V282 V283 I287 D288 Q289K281-R285 PolarHBondContact O-N 2.9Å; K281-R285 VanDerWaalsContact O-N 3.11Å; V282-R285 WeakPolarHBondContact O-CB 3.47Å; V282-R285 PolarHBondContact O-N 2.97Å; V283-R285 VanDerWaalsContact C-N 3.29Å; V283-R285 PolarHBondContact O-N 2.79Å; R285-I287 VanDerWaalsContact C-N 3.32Å; R285-D288 PolarHBondContact O-N 3.13Å; R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 WeakPolarHBondContact O-CG 3.4Å; R285-Q289 PolarHBondContact O-N 2.83Å
286Y91.4Very high90.9Very high94 Ų9467 Ų6737%0.36935%0.353SS..Hα-helixtrans-68.3-34178.2-75.99.8000112.3V282 V283 N284 G290 V291 A292V282-Y286 HydrophobicContact CG1-CE1 4.2Å; V282-Y286 PolarHBondContact O-N 2.86Å; V283-Y286 PolarHBondContact O-N 2.87Å; V283-Y286 VanDerWaalsContact O-N 3.11Å; N284-Y286 VanDerWaalsContact C-N 3.32Å; N284-Y286 PolarHBondContact O-N 2.96Å; Y286-G290 PolarHBondContact O-N 2.96Å; Y286-V291 PolarHBondContact O-N 3.45Å; Y286-A292 PolarHBondContact O-N 3.16Å; Y286-A292 VanDerWaalsContact O-N 3.09Å
287I91.1Very high90.8Very high56 Ų5666.7 Ų66.729%0.28735%0.351SS..Hα-helixtrans-67.8-47.3173.6-64.3165.6000110.2L122 V283 N284 R285 Q289 G290 A292 L294L122-I287 HydrophobicContact CD1-CD1 4.41Å; L122-I287 HydrophobicContact CD1-CG1 4.33Å; V283-I287 HydrophobicContact CG1-CD1 3.85Å; V283-I287 WeakPolarHBondContact O-CG1 2.94Å; V283-I287 PolarHBondContact O-N 3.19Å; N284-I287 PolarHBondContact O-N 2.73Å; N284-I287 VanDerWaalsContact O-N 3.17Å; R285-I287 VanDerWaalsContact C-N 3.32Å; I287-Q289 VanDerWaalsContact C-N 3.25Å; I287-Q289 PolarHBondContact O-N 3.42Å; I287-G290 PolarHBondContact O-N 2.84Å; I287-A292 WeakPolarHBondContact CA-O 3.46Å; I287-L294 HydrophobicContact CD1-CB 4.09Å; I287-L294 HydrophobicContact CD1-CD1 4.47Å
288D93Very high90.8Very high139 Ų13964.5 Ų64.574%0.74333%0.334SS*.Hα-helixtrans-62.7-32.8179.7-65.8-23.5000112.2N284 R285 G290N284-D288 WeakPolarHBondContact O-CB 3.47Å; N284-D288 PolarHBondContact O-N 3.39Å; R285-D288 PolarHBondContact O-N 3.13Å; D288-G290 VanDerWaalsContact C-N 3.28Å
289Q91.9Very high90.9Very high122 Ų12259 Ų5957%0.5731%0.308SS*.THydrogen-bonded Turntrans-78.4-8.2174.4-70.8173.8-8.200113.5R285 I287 V291R285-Q289 WeakPolarHBondContact O-CB 3.49Å; R285-Q289 WeakPolarHBondContact O-CG 3.4Å; R285-Q289 PolarHBondContact O-N 2.83Å; I287-Q289 VanDerWaalsContact C-N 3.25Å; I287-Q289 PolarHBondContact O-N 3.42Å; Q289-V291 HydrophobicContact CB-CG2 3.92Å; Q289-V291 PolarHBondContact O-N 2.7Å
290G89.4Confident91.1Very high65 Ų6558.5 Ų58.567%0.6731%0.305SS*.THydrogen-bonded Turntrans72.212.9-176.500000114.7Y286 I287 D288Y286-G290 PolarHBondContact O-N 2.96Å; I287-G290 PolarHBondContact O-N 2.84Å; D288-G290 VanDerWaalsContact C-N 3.28Å
291V90.6Very high91.4Very high50 Ų5056.7 Ų56.730%0.30330%0.295SS..SBendtrans-81.6-28.5178.5-177.60000110.9I124 K125 Y286 Q289I124-V291 HydrophobicContact CG2-CG1 4.25Å; K125-V291 PolarHBondContact N-O 3.38Å; Y286-V291 PolarHBondContact O-N 3.45Å; Q289-V291 HydrophobicContact CB-CG2 3.92Å; Q289-V291 PolarHBondContact O-N 2.7Å
292A91.9Very high91.5Very high8 Ų851.5 Ų51.57%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-130.6150.9179.700000113L122 R123 I124 Y286 I287L122-A292 HydrophobicContact CD1-CB 3.69Å; L122-A292 HydrophobicContact CD2-CB 4.33Å; L122-A292 HydrophobicContact CG-CB 3.97Å; R123-A292 CarbonylContact O-C 3.56Å; R123-A292 VanDerWaalsContact O-CA 3.24Å; R123-A292 WeakPolarHBondContact O-CA 3.42Å; I124-A292 HydrophobicContact CG1-CB 4.11Å; Y286-A292 PolarHBondContact O-N 3.16Å; Y286-A292 VanDerWaalsContact O-N 3.09Å; I287-A292 WeakPolarHBondContact CA-O 3.46Å
293E90.4Very high91.7Very high99 Ų9951.8 Ų51.846%0.46327%0.272SS..EExtended strand (participates in β ladder)trans-122.2129.3175.8-176.4-178.9178.600109.3R123 K125R123-E293 HydrophobicContact CB-CB 4.46Å; R123-E293 PolarHBondContact N-O 2.81Å; R123-E293 PolarHBondContact O-N 2.73Å; K125-E293 IonicContact NZ-OE2 3.64Å
294L87.8Confident91.9Very high45 Ų4551.5 Ų51.524%0.23627%0.27CS..EExtended strand (participates in β ladder)trans-76.2126.8175-163.676.4000109.8I120 L122 I287 P296 I323I120-L294 HydrophobicContact CG2-CD1 3.56Å; I120-L294 HydrophobicContact CG2-CD2 4.42Å; I120-L294 HydrophobicContact CG2-CG 4.08Å; L122-L294 HydrophobicContact CD1-CD1 4.35Å; I287-L294 HydrophobicContact CD1-CB 4.09Å; I287-L294 HydrophobicContact CD1-CD1 4.47Å; L294-P296 WeakPolarHBondContact O-CD 3.29Å; L294-I323 HydrophobicContact CD2-CB 3.99Å; L294-I323 HydrophobicContact CD2-CG2 3.75Å
295V87.6Confident92Very high17 Ų1748.1 Ų48.110%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-112.498.3177.8-176.40000108V91 G121 R123 G297V91-V295 HydrophobicContact CG2-CG1 4.11Å; G121-V295 WeakPolarHBondContact CA-O 3.5Å; G121-V295 PolarHBondContact N-O 3.15Å; G121-V295 PolarHBondContact O-N 3.39Å; R123-V295 HydrophobicContact CB-CG2 4.04Å; V295-G297 PolarHBondContact O-N 3.23Å
296P85.6Confident92.2Very high59 Ų5942.8 Ų42.838%0.38323%0.233SC..EExtended strand (participates in β ladder)trans-67.1120.9175.627.5-32.2000109.2L294L294-P296 WeakPolarHBondContact O-CD 3.29Å
297G89.9Confident92.4Very high0 Ų038.3 Ų38.30%022%0.216CC..  trans-92.9-168.4174.700000113P92 A119 V295 P325 I326P92-G297 CarbonylContact O-C 3.57Å; P92-G297 WeakPolarHBondContact O-CA 3.49Å; A119-G297 CarbonylContact O-C 3.56Å; A119-G297 WeakPolarHBondContact O-CA 3.37Å; A119-G297 PolarHBondContact O-N 3.08Å; V295-G297 PolarHBondContact O-N 3.23Å; G297-P325 WeakPolarHBondContact O-CB 3.39Å; G297-I326 PolarHBondContact O-N 3.43Å
298V91.4Very high92.6Very high0 Ų036.3 Ų36.30%021%0.205CC..EExtended strand (participates in β ladder)trans-112.5119.6-178.5179.10000109.2A84 L87 P92 F93 C94 I326 V328A84-V298 HydrophobicContact CB-CB 4.33Å; A84-V298 HydrophobicContact CB-CG2 4.06Å; L87-V298 HydrophobicContact CD1-CG2 3.67Å; P92-V298 PolarHBondContact O-N 2.89Å; F93-V298 HydrophobicContact CD2-CB 4.02Å; F93-V298 HydrophobicContact CD2-CG1 4.05Å; F93-V298 HydrophobicContact CE2-CG1 4.13Å; C94-V298 PolarHBondContact N-O 2.75Å; V298-I326 CarbonylContact C-O 3.5Å; V298-I326 WeakPolarHBondContact CA-O 3.45Å; V298-I326 HydrophobicContact CG2-CB 4.34Å; V298-I326 HydrophobicContact CG2-CD1 4.13Å; V298-V328 HydrophobicContact CG1-CG2 3.88Å
299L94.6Very high92.7Very high0 Ų032.3 Ų32.30%018%0.183CC..EExtended strand (participates in β ladder)trans-92.8109.3166.5176.860.8000108.5C94 M96 N115 F116 A119 V301 P325 I326 V327 V328C94-L299 HydrophobicContact CB-CD1 4.21Å; M96-L299 HydrophobicContact CG-CD1 4.11Å; M96-L299 HydrophobicContact SD-CD1 3.95Å; N115-L299 HydrophobicContact CB-CD1 3.84Å; F116-L299 HydrophobicContact CD2-CD2 3.42Å; F116-L299 VanDerWaalsContact CD2-CD2 3.42Å; F116-L299 HydrophobicContact CE2-CD2 3.33Å; F116-L299 HydrophobicContact CG-CD2 4.14Å; F116-L299 HydrophobicContact CZ-CD2 4Å; A119-L299 HydrophobicContact CB-CB 3.91Å; L299-V301 HydrophobicContact CD2-CG2 4.4Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; L299-P325 HydrophobicContact CB-CG 4.19Å; L299-I326 PolarHBondContact N-O 2.84Å; L299-V327 HydrophobicContact CB-CG2 4.46Å; L299-V327 HydrophobicContact CD2-CG2 4.33Å; L299-V327 WeakPolarHBondContact O-CA 3Å; L299-V328 PolarHBondContact O-N 3.25Å
300F95.9Very high92.8Very high3 Ų332.2 Ų32.21%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-98.7118.4176.2175.8-107.4000110T77 A80 F93 C94 P95 M96 D302 V328 A330T77-F300 HydrophobicContact CG2-CD1 4.26Å; T77-F300 HydrophobicContact CG2-CE1 3.66Å; T77-F300 HydrophobicContact CG2-CZ 4.18Å; A80-F300 HydrophobicContact CB-CB 4.37Å; A80-F300 HydrophobicContact CB-CD2 3.31Å; A80-F300 HydrophobicContact CB-CE2 3.71Å; A80-F300 HydrophobicContact CB-CG 3.92Å; F93-F300 HydrophobicContact CE2-CB 3.77Å; F93-F300 HydrophobicContact CE2-CG 4.5Å; F93-F300 HydrophobicContact CZ-CB 3.8Å; F93-F300 HydrophobicContact CZ-CD1 4.4Å; F93-F300 HydrophobicContact CZ-CG 4.22Å; C94-F300 PolarHBondContact O-N 3.23Å; P95-F300 CarbonylContact C-O 3.56Å; P95-F300 WeakPolarHBondContact CA-O 3.22Å; P95-F300 HydrophobicContact CB-CD1 4.27Å; M96-F300 PolarHBondContact N-O 3.01Å; F300-D302 HydrophobicContact CD1-CB 4.47Å; F300-D302 HydrophobicContact CE1-CB 3.64Å; F300-D302 HydrophobicContact CZ-CB 4.03Å; F300-V328 CarbonylContact C-O 3.56Å; F300-V328 WeakPolarHBondContact CA-O 3.33Å; F300-V328 HydrophobicContact CD2-CB 4.15Å; F300-V328 HydrophobicContact CD2-CG1 3.99Å; F300-V328 WeakPolarHBondContact CD2-O 3.42Å; F300-V328 HydrophobicContact CE2-CG1 4.4Å; F300-A330 HydrophobicContact CE2-CB 3.63Å; F300-A330 HydrophobicContact CZ-CB 3.62Å
301V96.3Very high93.1Very high0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-109.5100.9178.3-174.40000109M96 L299 L307 V328 F329 A330M96-V301 HydrophobicContact CG-CB 4.26Å; M96-V301 HydrophobicContact CG-CG1 4.3Å; M96-V301 HydrophobicContact CG-CG2 3.85Å; M96-V301 CarbonylContact O-C 3.49Å; M96-V301 WeakPolarHBondContact O-CA 3.46Å; M96-V301 HydrophobicContact SD-CG2 3.91Å; L299-V301 HydrophobicContact CD2-CG2 4.4Å; L299-V301 HydrophobicContact CG-CG2 4.07Å; V301-L307 HydrophobicContact CG1-CD1 4.18Å; V301-V328 PolarHBondContact N-O 3.41Å; V301-F329 HydrophobicContact CB-CD1 3.88Å; V301-F329 HydrophobicContact CB-CE1 4.3Å; V301-F329 HydrophobicContact CG1-CD1 4.39Å; V301-F329 HydrophobicContact CG2-CD1 4.23Å; V301-F329 HydrophobicContact CG2-CE1 4.19Å; V301-F329 CarbonylContact O-C 3.41Å; V301-A330 PolarHBondContact O-N 2.96Å
302D95.1Very high93.3Very high35 Ų3526.9 Ų26.919%0.18714%0.137CC..EExtended strand (participates in β ladder)trans-76.9154173.9-150.1-6.9000111.2M96 G98 F300 V304M96-D302 PolarHBondContact O-N 3.37Å; G98-D302 PolarHBondContact N-O 3.34Å; F300-D302 HydrophobicContact CD1-CB 4.47Å; F300-D302 HydrophobicContact CE1-CB 3.64Å; F300-D302 HydrophobicContact CZ-CB 4.03Å; D302-V304 VanDerWaalsContact C-N 3.29Å; D302-V304 PolarHBondContact O-N 3.47Å
303E94.7Very high93.3Very high69 Ų6931 Ų3132%0.32216%0.162SC..THydrogen-bonded Turntrans49.147.9-179.2-55.2-164.4152.200113.3V97 H305 M306 A330V97-E303 HydrophobicContact CG1-CB 4.23Å; V97-E303 HydrophobicContact CG1-CG 4.39Å; E303-H305 PolarHBondContact O-N 3.34Å; E303-M306 HydrophobicContact CB-CG 3.96Å; E303-M306 VanDerWaalsContact O-CB 3.25Å; E303-M306 WeakPolarHBondContact O-CB 3.27Å; E303-M306 WeakPolarHBondContact O-CG 3.19Å; E303-M306 PolarHBondContact O-N 3.28Å; E303-A330 PolarHBondContact N-O 3.05Å
304V96.3Very high93.4Very high0 Ų027.9 Ų27.90%015%0.146CC..G310 helixtrans-53.4-28.7-175.568.80000113.9L67 D302 M306 L307 F312 F329 A330 I350L67-V304 HydrophobicContact CD1-CG1 4.36Å; D302-V304 VanDerWaalsContact C-N 3.29Å; D302-V304 PolarHBondContact O-N 3.47Å; V304-M306 PolarHBondContact O-N 2.79Å; V304-L307 HydrophobicContact CG2-CD1 4.07Å; V304-L307 WeakPolarHBondContact O-CB 3.36Å; V304-L307 PolarHBondContact O-N 2.76Å; V304-F312 HydrophobicContact CG2-CE1 3.8Å; V304-F312 HydrophobicContact CG2-CZ 4.06Å; V304-F329 HydrophobicContact CB-CB 4.15Å; V304-F329 HydrophobicContact CB-CD1 4.1Å; V304-F329 HydrophobicContact CB-CG 4.44Å; V304-F329 HydrophobicContact CG1-CB 4.26Å; V304-F329 HydrophobicContact CG2-CB 4.13Å; V304-F329 HydrophobicContact CG2-CD1 3.38Å; V304-F329 HydrophobicContact CG2-CE1 3.98Å; V304-F329 HydrophobicContact CG2-CG 3.89Å; V304-A330 WeakPolarHBondContact CG1-O 3.46Å; V304-A330 PolarHBondContact N-O 3.05Å; V304-I350 HydrophobicContact CG1-CD1 3.88Å; V304-I350 HydrophobicContact CG1-CG1 4.12Å; V304-I350 HydrophobicContact CG2-CD1 4.36Å; V304-I350 HydrophobicContact CG2-CG1 4.42Å
305H95Very high93.6Very high8 Ų825.8 Ų25.84%0.03714%0.135CC..G310 helixtrans-62.3-10.1175.263.5-91.4000114.3E303 N332 R333 H348E303-H305 PolarHBondContact O-N 3.34Å; H305-N332 PolarHBondContact CE1-OD1 3.26Å; H305-R333 VanDerWaalsContact CD2-CD 3.4Å; H305-R333 WeakPolarHBondContact CD2-CD 3.31Å; H305-R333 PolarHBondContact CD2-NE 2.84Å; H305-R333 PolarHBondContact NE2-NE 3.48Å; H305-H348 WeakPolarHBondContact CB-O 3.3Å
306M95.3Very high93.7Very high30 Ų3026.7 Ų26.715%0.14814%0.138CC..G310 helixtrans-84-12.8174-64.8-65.9-72.900112.9Y102 E303 V304 R339Y102-M306 PolarHBondContact OH-O 2.99Å; E303-M306 HydrophobicContact CB-CG 3.96Å; E303-M306 VanDerWaalsContact O-CB 3.25Å; E303-M306 WeakPolarHBondContact O-CB 3.27Å; E303-M306 WeakPolarHBondContact O-CG 3.19Å; E303-M306 PolarHBondContact O-N 3.28Å; V304-M306 PolarHBondContact O-N 2.79Å; M306-R339 VanDerWaalsContact CE-CZ 3.49Å; M306-R339 VanDerWaalsContact O-CD 3.24Å; M306-R339 WeakPolarHBondContact O-CD 3.34Å; M306-R339 VanDerWaalsContact SD-CZ 3.51Å; M306-R339 PolarHBondContact SD-NH2 3.45Å
307L96.3Very high93.8Very high0 Ų032 Ų320%015%0.15CC..SBendtrans-74.1148.4172.1-63.1179.3000110.9G98 V101 V301 V304 C311 F312 L315G98-L307 VanDerWaalsContact O-CD2 3.3Å; G98-L307 WeakPolarHBondContact O-CD2 3.42Å; V101-L307 HydrophobicContact CB-CD2 4.29Å; V101-L307 HydrophobicContact CG1-CD2 3.52Å; V101-L307 HydrophobicContact CG2-CD2 3.82Å; V301-L307 HydrophobicContact CG1-CD1 4.18Å; V304-L307 HydrophobicContact CG2-CD1 4.07Å; V304-L307 WeakPolarHBondContact O-CB 3.36Å; V304-L307 PolarHBondContact O-N 2.76Å; L307-C311 HydrophobicContact CB-CB 4.04Å; L307-C311 HydrophobicContact CD2-CB 4.12Å; L307-C311 HydrophobicContact CG-CB 4.49Å; L307-F312 HydrophobicContact CB-CD2 4.49Å; L307-F312 HydrophobicContact CB-CE1 4.31Å; L307-F312 HydrophobicContact CB-CE2 3.92Å; L307-F312 HydrophobicContact CB-CZ 3.83Å; L307-F312 HydrophobicContact CD1-CE1 4.24Å; L307-F312 WeakPolarHBondContact O-CE2 3.47Å; L307-L315 HydrophobicContact CD1-CD1 3.67Å
308D95.3Very high93.7Very high13 Ų1332.7 Ų32.77%0.0716%0.156CC..BIsolated β-bridgetrans-95.2171.31746441000113Y102 K108 E310 C311 F312 R339Y102-D308 PolarHBondContact OH-OD2 3.22Å; K108-D308 IonicContact NZ-OD1 2.74Å; K108-D308 PolarHBondContact NZ-OD1 3.12Å; K108-D308 IonicContact NZ-OD2 2.84Å; K108-D308 PolarHBondContact NZ-OD2 3.31Å; D308-E310 VanDerWaalsContact C-N 3.26Å; D308-E310 PolarHBondContact O-N 3.07Å; D308-E310 PolarHBondContact OD1-N 2.96Å; D308-C311 WeakPolarHBondContact O-CB 3.36Å; D308-C311 PolarHBondContact O-N 2.83Å; D308-C311 VanDerWaalsContact O-N 3.14Å; D308-C311 PolarHBondContact OD1-N 3.43Å; D308-F312 WeakPolarHBondContact O-CD2 3.43Å; D308-F312 PolarHBondContact O-N 2.89Å; D308-F312 VanDerWaalsContact O-N 3.11Å; D308-R339 CarbonylContact C-O 3.5Å; D308-R339 WeakPolarHBondContact CA-O 3.3Å; D308-R339 HydrophobicContact CB-CB 3.95Å; D308-R339 VanDerWaalsContact CB-O 3.26Å; D308-R339 WeakPolarHBondContact CB-O 3.45Å
309I94.6Very high93.5Very high55 Ų5533 Ų3328%0.28216%0.158SC..Hα-helixtrans-57.4-35.4-177.2-169.562.3000113.3F312 T313 I338 R339 T341 P351I309-F312 PolarHBondContact O-N 3.38Å; I309-T313 PolarHBondContact O-N 3.19Å; I309-T313 PolarHBondContact O-OG1 3.44Å; I309-I338 HydrophobicContact CB-CG2 4.3Å; I309-I338 HydrophobicContact CD1-CG2 4.35Å; I309-R339 PolarHBondContact N-O 2.91Å; I309-T341 HydrophobicContact CB-CG2 4.07Å; I309-T341 HydrophobicContact CG1-CG2 4.39Å; I309-T341 HydrophobicContact CG2-CG2 4.3Å; I309-P351 HydrophobicContact CD1-CB 4.44Å; I309-P351 HydrophobicContact CD1-CG 3.66Å
310E94.1Very high93Very high120 Ų12038.3 Ų38.356%0.56118%0.183SC*.Hα-helixtrans-70.4-37.5179-62.2174.8-162.100111.6K108 D308 F312 T313 Y314K108-E310 WeakPolarHBondContact CE-OE2 3.41Å; K108-E310 IonicContact NZ-OE1 3.34Å; K108-E310 IonicContact NZ-OE2 3.77Å; K108-E310 PolarHBondContact NZ-OE2 3.48Å; D308-E310 VanDerWaalsContact C-N 3.26Å; D308-E310 PolarHBondContact O-N 3.07Å; D308-E310 PolarHBondContact OD1-N 2.96Å; E310-F312 VanDerWaalsContact C-N 3.32Å; E310-T313 PolarHBondContact O-N 3.08Å; E310-Y314 PolarHBondContact O-N 3.42Å
311C95.9Very high92.4Very high0 Ų040.7 Ų40.70%020%0.2CC..Hα-helixtrans-59.6-43.5170.8-74.30000111.3L112 L307 D308 Y314 L315L112-C311 HydrophobicContact CD1-CB 3.8Å; L307-C311 HydrophobicContact CB-CB 4.04Å; L307-C311 HydrophobicContact CD2-CB 4.12Å; L307-C311 HydrophobicContact CG-CB 4.49Å; D308-C311 WeakPolarHBondContact O-CB 3.36Å; D308-C311 PolarHBondContact O-N 2.83Å; D308-C311 VanDerWaalsContact O-N 3.14Å; D308-C311 PolarHBondContact OD1-N 3.43Å; C311-Y314 WeakPolarHBondContact O-CB 3.45Å; C311-Y314 PolarHBondContact O-N 2.9Å; C311-L315 WeakPolarHBondContact O-CB 3.42Å; C311-L315 VanDerWaalsContact O-CG 3.29Å; C311-L315 WeakPolarHBondContact O-CG 3.4Å; C311-L315 PolarHBondContact O-N 2.86Å
312F95.1Very high91.2Very high3 Ų346.6 Ų46.61%0.01324%0.241CC..Hα-helixtrans-66.2-41.5178-71.3-61.8000113V304 L307 D308 I309 E310 Y314 L315 H316 I338 G349 I350 P351 L354V304-F312 HydrophobicContact CG2-CE1 3.8Å; V304-F312 HydrophobicContact CG2-CZ 4.06Å; L307-F312 HydrophobicContact CB-CD2 4.49Å; L307-F312 HydrophobicContact CB-CE1 4.31Å; L307-F312 HydrophobicContact CB-CE2 3.92Å; L307-F312 HydrophobicContact CB-CZ 3.83Å; L307-F312 HydrophobicContact CD1-CE1 4.24Å; L307-F312 WeakPolarHBondContact O-CE2 3.47Å; D308-F312 WeakPolarHBondContact O-CD2 3.43Å; D308-F312 PolarHBondContact O-N 2.89Å; D308-F312 VanDerWaalsContact O-N 3.11Å; I309-F312 PolarHBondContact O-N 3.38Å; E310-F312 VanDerWaalsContact C-N 3.32Å; F312-Y314 VanDerWaalsContact C-N 3.26Å; F312-Y314 PolarHBondContact O-N 3.22Å; F312-L315 HydrophobicContact CD1-CD1 4.22Å; F312-L315 PolarHBondContact O-N 3.43Å; F312-H316 WeakPolarHBondContact O-CB 3.47Å; F312-H316 PolarHBondContact O-N 3.27Å; F312-I338 HydrophobicContact CD2-CG2 4.25Å; F312-I338 HydrophobicContact CE2-CG2 4.24Å; F312-G349 WeakPolarHBondContact CE2-O 3.35Å; F312-G349 WeakPolarHBondContact CZ-O 3.31Å; F312-I350 HydrophobicContact CE1-CG1 4.22Å; F312-I350 HydrophobicContact CE1-CG2 4.23Å; F312-I350 HydrophobicContact CZ-CG1 4.2Å; F312-P351 HydrophobicContact CB-CG 3.69Å; F312-P351 VanDerWaalsContact CD2-CD 3.42Å; F312-P351 HydrophobicContact CD2-CG 3.79Å; F312-P351 VanDerWaalsContact CG-CD 3.46Å; F312-P351 HydrophobicContact CG-CG 3.77Å; F312-L354 HydrophobicContact CD1-CD2 3.58Å; F312-L354 HydrophobicContact CE1-CD2 4.21Å; F312-L354 HydrophobicContact CG-CD2 4.49Å
313T92.9Very high90.3Very high95 Ų9547.1 Ų47.158%0.58324%0.244SC*.Hα-helixtrans-58.3-41.3173.5-58.50000111.3I309 E310 R317I309-T313 PolarHBondContact O-N 3.19Å; I309-T313 PolarHBondContact O-OG1 3.44Å; E310-T313 PolarHBondContact O-N 3.08Å; T313-R317 PolarHBondContact O-N 2.96Å
314Y92.3Very high89.9Confident34 Ų3445 Ų4513%0.13324%0.238CC..Hα-helixtrans-65.1-47.1175179.8-90.2000112.3T109 L112 M113 E310 C311 F312 H316 R317 A318T109-Y314 HydrophobicContact CG2-CD2 3.94Å; T109-Y314 HydrophobicContact CG2-CG 4.07Å; L112-Y314 HydrophobicContact CB-CD1 3.98Å; L112-Y314 HydrophobicContact CB-CE1 3.9Å; L112-Y314 HydrophobicContact CD1-CD1 3.92Å; M113-Y314 VanDerWaalsContact CB-OH 3.22Å; M113-Y314 WeakPolarHBondContact CB-OH 3.46Å; M113-Y314 WeakPolarHBondContact CG-OH 3.12Å; M113-Y314 PolarHBondContact SD-OH 3.24Å; E310-Y314 PolarHBondContact O-N 3.42Å; C311-Y314 WeakPolarHBondContact O-CB 3.45Å; C311-Y314 PolarHBondContact O-N 2.9Å; F312-Y314 VanDerWaalsContact C-N 3.26Å; F312-Y314 PolarHBondContact O-N 3.22Å; Y314-H316 VanDerWaalsContact C-N 3.32Å; Y314-H316 PolarHBondContact O-N 3.41Å; Y314-R317 PolarHBondContact O-N 3.11Å; Y314-A318 HydrophobicContact CE1-CB 4.21Å; Y314-A318 WeakPolarHBondContact O-CB 3.36Å; Y314-A318 PolarHBondContact O-N 3.02Å
315L91.9Very high89.6Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-60.1-41.7179.1-76172.1000112.2L112 F116 L307 C311 F312 R317 A318 L319 F329L112-L315 HydrophobicContact CD1-CG 4.32Å; L112-L315 HydrophobicContact CD2-CD2 4.3Å; F116-L315 HydrophobicContact CE2-CD2 3.37Å; F116-L315 HydrophobicContact CZ-CD2 3.66Å; L307-L315 HydrophobicContact CD1-CD1 3.67Å; C311-L315 WeakPolarHBondContact O-CB 3.42Å; C311-L315 VanDerWaalsContact O-CG 3.29Å; C311-L315 WeakPolarHBondContact O-CG 3.4Å; C311-L315 PolarHBondContact O-N 2.86Å; F312-L315 HydrophobicContact CD1-CD1 4.22Å; F312-L315 PolarHBondContact O-N 3.43Å; L315-R317 PolarHBondContact O-N 2.95Å; L315-A318 PolarHBondContact O-N 3.06Å; L315-A318 VanDerWaalsContact O-N 3.17Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.34Å; L315-L319 PolarHBondContact O-N 3.14Å; L315-F329 HydrophobicContact CD1-CE1 3.98Å; L315-F329 HydrophobicContact CD1-CZ 4.12Å
316H88.3Confident89.4Confident37 Ų3745.5 Ų45.517%0.17124%0.241CC..Hα-helixtrans-57.9-48178.6-173.1-82000111.3F312 Y314 L319 E320 D353 R357F312-H316 WeakPolarHBondContact O-CB 3.47Å; F312-H316 PolarHBondContact O-N 3.27Å; Y314-H316 VanDerWaalsContact C-N 3.32Å; Y314-H316 PolarHBondContact O-N 3.41Å; H316-L319 PolarHBondContact O-N 3.4Å; H316-E320 IonicContact CE1-OE1 2.96Å; H316-E320 IonicContact ND1-OE1 4Å; H316-D353 IonicContact CD2-OD2 3.72Å; H316-D353 IonicContact NE2-OD2 3.75Å; H316-R357 PolarHBondContact CE1-NH1 2.98Å; H316-R357 PolarHBondContact CE1-NH2 2.95Å; H316-R357 VanDerWaalsContact CE1-NH2 3.33Å; H316-R357 PolarHBondContact NE2-NE 3.23Å; H316-R357 PolarHBondContact NE2-NH1 3.27Å
317R88.6Confident89.4Confident169 Ų16944 Ų4464%0.63823%0.234SC*.Hα-helixtrans-65.2-39.8174.1-169.2-177.271.9169.43.6112.6T313 Y314 L315 L319 E320T313-R317 PolarHBondContact O-N 2.96Å; Y314-R317 PolarHBondContact O-N 3.11Å; L315-R317 PolarHBondContact O-N 2.95Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 3.05Å; R317-E320 PolarHBondContact O-N 2.98Å
318A87.9Confident89.4Confident15 Ų1544 Ų4412%0.12423%0.234CC..Hα-helixtrans-66.6-35.6-178.500000112.3F116 Y314 L315 E320 S321F116-A318 HydrophobicContact CD1-CB 4.27Å; F116-A318 HydrophobicContact CE1-CB 3.72Å; F116-A318 HydrophobicContact CE2-CB 4.5Å; F116-A318 HydrophobicContact CZ-CB 3.84Å; Y314-A318 HydrophobicContact CE1-CB 4.21Å; Y314-A318 WeakPolarHBondContact O-CB 3.36Å; Y314-A318 PolarHBondContact O-N 3.02Å; L315-A318 PolarHBondContact O-N 3.06Å; L315-A318 VanDerWaalsContact O-N 3.17Å; A318-E320 VanDerWaalsContact C-N 3.25Å; A318-E320 PolarHBondContact O-N 2.91Å; A318-S321 VanDerWaalsContact O-CB 3.23Å; A318-S321 WeakPolarHBondContact O-CB 3.49Å; A318-S321 PolarHBondContact O-N 3.05Å
319L87.4Confident89.5Confident6 Ų643.4 Ų43.43%0.03123%0.23CC..Hα-helixtrans-67-22.6176.6-75.2169.6000113.6G63 A65 L315 H316 R317 S321 V327 L354G63-L319 WeakPolarHBondContact CA-O 3.27Å; A65-L319 HydrophobicContact CB-CD1 4.15Å; A65-L319 HydrophobicContact CB-CD2 4.33Å; L315-L319 WeakPolarHBondContact O-CB 3.43Å; L315-L319 VanDerWaalsContact O-CG 3.27Å; L315-L319 WeakPolarHBondContact O-CG 3.34Å; L315-L319 PolarHBondContact O-N 3.14Å; H316-L319 PolarHBondContact O-N 3.4Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 3.05Å; L319-S321 PolarHBondContact O-N 2.71Å; L319-V327 HydrophobicContact CD2-CB 3.88Å; L319-V327 HydrophobicContact CD2-CG2 3.47Å; L319-V327 VanDerWaalsContact CD2-CG2 3.47Å; L319-L354 HydrophobicContact CD1-CD1 3.74Å
320E83.9Confident89.6Confident112 Ų11240.8 Ų40.852%0.52322%0.217SC..THydrogen-bonded Turntrans-75.3-12.1175.2-66.6-179168.700112.7H316 R317 A318 R357H316-E320 IonicContact CE1-OE1 2.96Å; H316-E320 IonicContact ND1-OE1 4Å; R317-E320 PolarHBondContact O-N 2.98Å; A318-E320 VanDerWaalsContact C-N 3.25Å; A318-E320 PolarHBondContact O-N 2.91Å; E320-R357 IonicContact OE1-CZ 2.79Å; E320-R357 IonicContact OE1-NH1 3.73Å; E320-R357 PolarHBondContact OE1-NH1 2.67Å; E320-R357 IonicContact OE1-NH2 3.17Å; E320-R357 PolarHBondContact OE1-NH2 2.79Å; E320-R357 VanDerWaalsContact OE1-NH2 3.1Å
321S82.3Confident89.7Confident54 Ų5435.1 Ų35.138%0.37819%0.191SC..SBendtrans-68.7136.3177-169.60000111.7A318 L319 I323 A324A318-S321 VanDerWaalsContact O-CB 3.23Å; A318-S321 WeakPolarHBondContact O-CB 3.49Å; A318-S321 PolarHBondContact O-N 3.05Å; L319-S321 PolarHBondContact O-N 2.71Å; S321-I323 PolarHBondContact O-N 2.92Å; S321-I323 WeakPolarHBondContact OG-CG1 3.29Å; S321-A324 VanDerWaalsContact O-CB 3.27Å; S321-A324 WeakPolarHBondContact O-CB 3.21Å; S321-A324 PolarHBondContact O-N 2.98Å; S321-A324 VanDerWaalsContact O-N 3.14Å
322S72.6Confident89.5Confident123 Ų12338.2 Ų38.286%0.8621%0.207SC*.THydrogen-bonded Turntrans-65.4-19.9177.359.70000114
323I76.5Confident89.4Confident47 Ų4744.1 Ų44.124%0.24123%0.229CC..THydrogen-bonded Turntrans-102.59.7178.761.4167.1000112.5I120 L294 S321I120-I323 WeakPolarHBondContact CD1-O 3.45Å; L294-I323 HydrophobicContact CD2-CB 3.99Å; L294-I323 HydrophobicContact CD2-CG2 3.75Å; S321-I323 PolarHBondContact O-N 2.92Å; S321-I323 WeakPolarHBondContact OG-CG1 3.29Å
324A84.9Confident89.3Confident24 Ų2442 Ų4220%0.19823%0.226CC..PPolyproline II helixtrans-61.1137.5-179.400000111S321S321-A324 VanDerWaalsContact O-CB 3.27Å; S321-A324 WeakPolarHBondContact O-CB 3.21Å; S321-A324 PolarHBondContact O-N 2.98Å; S321-A324 VanDerWaalsContact O-N 3.14Å
325P90.2Very high89.3Confident6 Ų648 Ų484%0.03925%0.253CS..PPolyproline II helixtrans-68.1168.517133.7-35.6000109.8F116 A119 I120 G297 L299 V327F116-P325 VanDerWaalsContact CD1-CD 3.44Å; F116-P325 HydrophobicContact CD1-CG 3.79Å; F116-P325 HydrophobicContact CE1-CG 4.16Å; F116-P325 HydrophobicContact CG-CG 4.33Å; A119-P325 HydrophobicContact CB-CB 3.63Å; A119-P325 HydrophobicContact CB-CG 3.85Å; I120-P325 HydrophobicContact CG1-CB 4.2Å; I120-P325 HydrophobicContact CG1-CG 4.34Å; G297-P325 WeakPolarHBondContact O-CB 3.39Å; L299-P325 HydrophobicContact CB-CG 4.19Å; P325-V327 PolarHBondContact O-N 3.36Å
326I91.1Very high89.4Confident12 Ų1248.8 Ų48.86%0.06226%0.259CS..EExtended strand (participates in β ladder)trans-71.3118.7171.2-59.2128.7000108I56 L87 G297 V298 L299 V328I56-I326 HydrophobicContact CB-CD1 4.4Å; I56-I326 HydrophobicContact CD1-CB 4.41Å; I56-I326 HydrophobicContact CD1-CD1 3.53Å; I56-I326 HydrophobicContact CD1-CG1 3.68Å; I56-I326 HydrophobicContact CD1-CG2 3.98Å; I56-I326 HydrophobicContact CG1-CD1 3.91Å; I56-I326 HydrophobicContact CG1-CG1 3.85Å; I56-I326 HydrophobicContact CG2-CD1 3.6Å; I56-I326 HydrophobicContact CG2-CG1 4.25Å; L87-I326 HydrophobicContact CD1-CD1 3.76Å; G297-I326 PolarHBondContact O-N 3.43Å; V298-I326 CarbonylContact C-O 3.5Å; V298-I326 WeakPolarHBondContact CA-O 3.45Å; V298-I326 HydrophobicContact CG2-CB 4.34Å; V298-I326 HydrophobicContact CG2-CD1 4.13Å; L299-I326 PolarHBondContact N-O 2.84Å; I326-V328 HydrophobicContact CG2-CG2 4.08Å
327V94.6Very high89.8Confident0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-96.6120.3177.4-174.10000109.8A65 V66 F116 L299 L319 P325 F329A65-V327 WeakPolarHBondContact CA-O 3.49Å; A65-V327 HydrophobicContact CB-CB 4.22Å; V66-V327 PolarHBondContact N-O 2.96Å; F116-V327 HydrophobicContact CE1-CG2 4.11Å; F116-V327 HydrophobicContact CZ-CG2 3.81Å; L299-V327 HydrophobicContact CB-CG2 4.46Å; L299-V327 HydrophobicContact CD2-CG2 4.33Å; L299-V327 WeakPolarHBondContact O-CA 3Å; L319-V327 HydrophobicContact CD2-CB 3.88Å; L319-V327 HydrophobicContact CD2-CG2 3.47Å; L319-V327 VanDerWaalsContact CD2-CG2 3.47Å; P325-V327 PolarHBondContact O-N 3.36Å; V327-F329 HydrophobicContact CG1-CD1 4.11Å; V327-F329 HydrophobicContact CG1-CD2 4.42Å; V327-F329 HydrophobicContact CG1-CE1 3.53Å; V327-F329 HydrophobicContact CG1-CE2 3.91Å; V327-F329 HydrophobicContact CG1-CZ 3.42Å; V327-F329 VanDerWaalsContact CG1-CZ 3.42Å
328V96.3Very high90.1Very high0 Ų043.1 Ų43.10%024%0.242CC..EExtended strand (participates in β ladder)trans-115.5107.2176.1-175.70000108.5V66 L68 A80 M83 V298 L299 F300 V301 I326V66-V328 HydrophobicContact CB-CG1 4.41Å; V66-V328 HydrophobicContact CB-CG2 4.32Å; V66-V328 HydrophobicContact CG1-CG1 4.46Å; V66-V328 CarbonylContact O-C 3.47Å; V66-V328 WeakPolarHBondContact O-CA 3.35Å; L68-V328 HydrophobicContact CD1-CG1 3.84Å; L68-V328 HydrophobicContact CG-CG1 3.86Å; A80-V328 HydrophobicContact CB-CG1 4.1Å; M83-V328 HydrophobicContact CE-CG2 4.33Å; V298-V328 HydrophobicContact CG1-CG2 3.88Å; L299-V328 PolarHBondContact O-N 3.25Å; F300-V328 CarbonylContact C-O 3.56Å; F300-V328 WeakPolarHBondContact CA-O 3.33Å; F300-V328 HydrophobicContact CD2-CB 4.15Å; F300-V328 HydrophobicContact CD2-CG1 3.99Å; F300-V328 WeakPolarHBondContact CD2-O 3.42Å; F300-V328 HydrophobicContact CE2-CG1 4.4Å; V301-V328 PolarHBondContact N-O 3.41Å; I326-V328 HydrophobicContact CG2-CG2 4.08Å
329F97.4Very high90.3Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-81.9147.9172.2-59.7-61.1000110.6A65 V66 L67 L68 V301 V304 L315 V327 L354 V358A65-F329 HydrophobicContact CB-CD2 4.07Å; A65-F329 HydrophobicContact CB-CE2 3.63Å; V66-F329 PolarHBondContact O-N 3.14Å; L67-F329 CarbonylContact C-O 3.11Å; L67-F329 WeakPolarHBondContact CA-O 3.48Å; L67-F329 HydrophobicContact CB-CB 4.44Å; L67-F329 HydrophobicContact CD1-CB 3.69Å; L68-F329 PolarHBondContact N-O 2.77Å; V301-F329 HydrophobicContact CB-CD1 3.88Å; V301-F329 HydrophobicContact CB-CE1 4.3Å; V301-F329 HydrophobicContact CG1-CD1 4.39Å; V301-F329 HydrophobicContact CG2-CD1 4.23Å; V301-F329 HydrophobicContact CG2-CE1 4.19Å; V301-F329 CarbonylContact O-C 3.41Å; V304-F329 HydrophobicContact CB-CB 4.15Å; V304-F329 HydrophobicContact CB-CD1 4.1Å; V304-F329 HydrophobicContact CB-CG 4.44Å; V304-F329 HydrophobicContact CG1-CB 4.26Å; V304-F329 HydrophobicContact CG2-CB 4.13Å; V304-F329 HydrophobicContact CG2-CD1 3.38Å; V304-F329 HydrophobicContact CG2-CE1 3.98Å; V304-F329 HydrophobicContact CG2-CG 3.89Å; L315-F329 HydrophobicContact CD1-CE1 3.98Å; L315-F329 HydrophobicContact CD1-CZ 4.12Å; V327-F329 HydrophobicContact CG1-CD1 4.11Å; V327-F329 HydrophobicContact CG1-CD2 4.42Å; V327-F329 HydrophobicContact CG1-CE1 3.53Å; V327-F329 HydrophobicContact CG1-CE2 3.91Å; V327-F329 HydrophobicContact CG1-CZ 3.42Å; V327-F329 VanDerWaalsContact CG1-CZ 3.42Å; F329-L354 HydrophobicContact CE2-CD2 4.45Å; F329-L354 HydrophobicContact CZ-CD2 4.45Å; F329-V358 HydrophobicContact CD2-CG2 4.4Å; F329-V358 HydrophobicContact CE2-CG2 4.36Å
330A96.9Very high90.5Very high0 Ų050.4 Ų50.40%029%0.288CS..EExtended strand (participates in β ladder)trans-125135165.600000111.4L68 K76 F300 V301 E303 V304L68-A330 WeakPolarHBondContact O-CA 3.23Å; K76-A330 HydrophobicContact CB-CB 4.19Å; K76-A330 HydrophobicContact CD-CB 4.03Å; F300-A330 HydrophobicContact CE2-CB 3.63Å; F300-A330 HydrophobicContact CZ-CB 3.62Å; V301-A330 PolarHBondContact O-N 2.96Å; E303-A330 PolarHBondContact N-O 3.05Å; V304-A330 WeakPolarHBondContact CG1-O 3.46Å; V304-A330 PolarHBondContact N-O 3.05Å
331S95.9Very high91Very high1 Ų146.1 Ų46.11%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-134.9139.7172.8-165.50000111.4L68 G70 R333L68-S331 PolarHBondContact O-N 2.96Å; G70-S331 PolarHBondContact N-O 3Å; G70-S331 VanDerWaalsContact N-O 3.12Å; S331-R333 PolarHBondContact OG-N 2.81Å
332N93Very high91.3Very high65 Ų6551.9 Ų51.935%0.34829%0.291SS..  trans-108.22.4169.462.2-12.6000112.3G70 H305G70-N332 VanDerWaalsContact O-CA 3.31Å; G70-N332 WeakPolarHBondContact O-CA 3.41Å; H305-N332 PolarHBondContact CE1-OD1 3.26Å
333R91.6Very high92Very high126 Ų12652.8 Ų52.848%0.47529%0.286SS..  trans-99.4143.9179.3-63.4-159.7-176.6-152.2-0.3111.1H305 S331 H348H305-R333 VanDerWaalsContact CD2-CD 3.4Å; H305-R333 WeakPolarHBondContact CD2-CD 3.31Å; H305-R333 PolarHBondContact CD2-NE 2.84Å; H305-R333 PolarHBondContact NE2-NE 3.48Å; S331-R333 PolarHBondContact OG-N 2.81Å; R333-H348 PolarHBondContact O-ND1 2.97Å
334G91.1Very high92.8Very high51 Ų5155.4 Ų55.453%0.52630%0.299SS..SBendtrans-76.7-117167.600000110H348G334-H348 VanDerWaalsContact O-CA 3.3Å; G334-H348 WeakPolarHBondContact O-CA 3.47Å; G334-H348 PolarHBondContact O-N 3.03Å
335K93.3Very high93.2Very high159 Ų15956.9 Ų56.969%0.69131%0.308SS*.EExtended strand (participates in β ladder)trans-83.9129174-170.6173.5-179.1177.60110.5S345K335-S345 WeakPolarHBondContact CE-O 3.29Å; K335-S345 VanDerWaalsContact CE-OG 3.31Å; K335-S345 WeakPolarHBondContact CE-OG 3.17Å; K335-S345 WeakPolarHBondContact CG-OG 3.18Å
336C94.3Very high93.4Very high18 Ų1856.9 Ų56.912%0.12231%0.308CS..EExtended strand (participates in β ladder)trans-149.1162.7174.359.60000112S346 G349C336-S346 PolarHBondContact N-O 3.14Å; C336-S346 VanDerWaalsContact N-O 3.11Å; C336-S346 PolarHBondContact O-N 3.11Å; C336-S346 VanDerWaalsContact O-O 3.12Å; C336-G349 WeakPolarHBondContact SG-CA 3.34Å; C336-G349 PolarHBondContact SG-N 3.35Å
337L95.3Very high93.7Very high83 Ų8358.9 Ų58.944%0.43532%0.322SS..EExtended strand (participates in β ladder)trans-63.9135.1176.1-172.672.4000110.3R339 E342L337-R339 PolarHBondContact O-N 3.24Å; L337-E342 WeakPolarHBondContact CD1-O 3.49Å
338I95.3Very high93.7Very high4 Ų460.5 Ų60.52%0.02133%0.33CS..PPolyproline II helixtrans-74.1123.1169.6-56.3176000107.5I309 F312 T341 I344 P351I309-I338 HydrophobicContact CB-CG2 4.3Å; I309-I338 HydrophobicContact CD1-CG2 4.35Å; F312-I338 HydrophobicContact CD2-CG2 4.25Å; F312-I338 HydrophobicContact CE2-CG2 4.24Å; I338-T341 HydrophobicContact CB-CG2 4.12Å; I338-T341 HydrophobicContact CG2-CG2 4.19Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.01Å; I338-T341 VanDerWaalsContact O-N 3.14Å; I338-T341 PolarHBondContact O-OG1 3.04Å; I338-I344 HydrophobicContact CD1-CG2 3.8Å; I338-I344 HydrophobicContact CG1-CG2 4.49Å; I338-I344 PolarHBondContact N-O 3.17Å; I338-P351 HydrophobicContact CD1-CB 4.41Å; I338-P351 HydrophobicContact CD1-CG 4.05Å
339R93Very high93.6Very high101 Ų10160.5 Ų60.538%0.38133%0.33SS..BIsolated β-bridgetrans-61.5144.4-179.2-70.8-179.7168.2-133.9-6.9110.9M306 D308 I309 L337 T341M306-R339 VanDerWaalsContact CE-CZ 3.49Å; M306-R339 VanDerWaalsContact O-CD 3.24Å; M306-R339 WeakPolarHBondContact O-CD 3.34Å; M306-R339 VanDerWaalsContact SD-CZ 3.51Å; M306-R339 PolarHBondContact SD-NH2 3.45Å; D308-R339 CarbonylContact C-O 3.5Å; D308-R339 WeakPolarHBondContact CA-O 3.3Å; D308-R339 HydrophobicContact CB-CB 3.95Å; D308-R339 VanDerWaalsContact CB-O 3.26Å; D308-R339 WeakPolarHBondContact CB-O 3.45Å; I309-R339 PolarHBondContact N-O 2.91Å; L337-R339 PolarHBondContact O-N 3.24Å; R339-T341 PolarHBondContact O-N 3.28Å
340G92Very high93.5Very high72 Ų7260.5 Ų60.574%0.74233%0.33SS*.THydrogen-bonded Turntrans79.52.3-173.800000114.3
341T92.6Very high93.4Very high23 Ų2361 Ų6114%0.14133%0.333CS..  trans-114.5150.4168.975.30000109.1I309 I338 R339 I344I309-T341 HydrophobicContact CB-CG2 4.07Å; I309-T341 HydrophobicContact CG1-CG2 4.39Å; I309-T341 HydrophobicContact CG2-CG2 4.3Å; I338-T341 HydrophobicContact CB-CG2 4.12Å; I338-T341 HydrophobicContact CG2-CG2 4.19Å; I338-T341 WeakPolarHBondContact O-CB 3.4Å; I338-T341 PolarHBondContact O-N 3.01Å; I338-T341 VanDerWaalsContact O-N 3.14Å; I338-T341 PolarHBondContact O-OG1 3.04Å; R339-T341 PolarHBondContact O-N 3.28Å; T341-I344 HydrophobicContact CG2-CB 4.18Å; T341-I344 HydrophobicContact CG2-CD1 3.99Å; T341-I344 HydrophobicContact CG2-CG1 4.28Å; T341-I344 WeakPolarHBondContact OG1-CB 3.35Å; T341-I344 PolarHBondContact OG1-N 2.58Å
342E88.6Confident93.3Very high174 Ų17466.2 Ų66.281%0.81336%0.36SS*.SBendtrans-80.9-44.1-179.8-63.7-175.9170.400111L337L337-E342 WeakPolarHBondContact CD1-O 3.49Å
343D89Confident93.1Very high143 Ų14367.4 Ų67.477%0.76537%0.366SS*.SBendtrans-130.83.5-169.4-62.1-39.1000115S345D343-S345 PolarHBondContact O-N 3.26Å; D343-S345 VanDerWaalsContact O-N 3.09Å
344I91.6Very high93.1Very high101 Ų10161.4 Ų61.452%0.51834%0.344SS..  trans-84.296.8-175.1-51.4-178.5000110.1I338 T341I338-I344 HydrophobicContact CD1-CG2 3.8Å; I338-I344 HydrophobicContact CG1-CG2 4.49Å; I338-I344 PolarHBondContact N-O 3.17Å; T341-I344 HydrophobicContact CG2-CB 4.18Å; T341-I344 HydrophobicContact CG2-CD1 3.99Å; T341-I344 HydrophobicContact CG2-CG1 4.28Å; T341-I344 WeakPolarHBondContact OG1-CB 3.35Å; T341-I344 PolarHBondContact OG1-N 2.58Å
345S93.6Very high93.2Very high56 Ų5660.1 Ų60.139%0.39233%0.325SS..EExtended strand (participates in β ladder)trans-96.5120.3175.8-168.40000111.5K335 D343K335-S345 WeakPolarHBondContact CE-O 3.29Å; K335-S345 VanDerWaalsContact CE-OG 3.31Å; K335-S345 WeakPolarHBondContact CE-OG 3.17Å; K335-S345 WeakPolarHBondContact CG-OG 3.18Å; D343-S345 PolarHBondContact O-N 3.26Å; D343-S345 VanDerWaalsContact O-N 3.09Å
346S95.5Very high92.9Very high5 Ų559.3 Ų59.34%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-130.8154.3-174-167.60000112C336 H348 G349 I350C336-S346 PolarHBondContact N-O 3.14Å; C336-S346 VanDerWaalsContact N-O 3.11Å; C336-S346 PolarHBondContact O-N 3.11Å; C336-S346 VanDerWaalsContact O-O 3.12Å; S346-H348 PolarHBondContact O-N 3.43Å; S346-G349 PolarHBondContact O-N 2.95Å; S346-I350 WeakPolarHBondContact CB-O 3.46Å; S346-I350 PolarHBondContact OG-O 3.27Å
347P95.9Very high92.6Very high55 Ų5562.7 Ų62.736%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-53.3132.5169-25.535.9000111.4G349 I350 L355P347-G349 PolarHBondContact O-N 2.81Å; P347-I350 PolarHBondContact O-N 2.7Å; P347-I350 VanDerWaalsContact O-N 3.17Å; P347-L355 HydrophobicContact CB-CD2 4.03Å; P347-L355 HydrophobicContact CG-CD2 4.32Å
348H95.7Very high92.5Very high34 Ų3459.4 Ų59.416%0.15732%0.321CS..THydrogen-bonded Turntrans59.38.1-179.6-49-58.9000115.5L67 H305 R333 G334 S346 I350L67-H348 HydrophobicContact CD2-CB 4.18Å; H305-H348 WeakPolarHBondContact CB-O 3.3Å; R333-H348 PolarHBondContact O-ND1 2.97Å; G334-H348 VanDerWaalsContact O-CA 3.3Å; G334-H348 WeakPolarHBondContact O-CA 3.47Å; G334-H348 PolarHBondContact O-N 3.03Å; S346-H348 PolarHBondContact O-N 3.43Å; H348-I350 VanDerWaalsContact C-N 3.27Å; H348-I350 HydrophobicContact CB-CD1 4.16Å; H348-I350 HydrophobicContact CB-CG1 4.19Å
349G94.2Very high92.5Very high0 Ų061.9 Ų61.90%033%0.334CS..THydrogen-bonded Turntrans7023.4-173.900000113.3F312 C336 S346 P347F312-G349 WeakPolarHBondContact CE2-O 3.35Å; F312-G349 WeakPolarHBondContact CZ-O 3.31Å; C336-G349 WeakPolarHBondContact SG-CA 3.34Å; C336-G349 PolarHBondContact SG-N 3.35Å; S346-G349 PolarHBondContact O-N 2.95Å; P347-G349 PolarHBondContact O-N 2.81Å
350I95.4Very high92.6Very high0 Ų060.9 Ų60.90%034%0.335CS..  trans-108.8136.2-178.9-57.7178.3000109L67 V304 F312 S346 P347 H348 L354 L355L67-I350 HydrophobicContact CD1-CD1 4.17Å; L67-I350 HydrophobicContact CD2-CD1 4Å; V304-I350 HydrophobicContact CG1-CD1 3.88Å; V304-I350 HydrophobicContact CG1-CG1 4.12Å; V304-I350 HydrophobicContact CG2-CD1 4.36Å; V304-I350 HydrophobicContact CG2-CG1 4.42Å; F312-I350 HydrophobicContact CE1-CG1 4.22Å; F312-I350 HydrophobicContact CE1-CG2 4.23Å; F312-I350 HydrophobicContact CZ-CG1 4.2Å; S346-I350 WeakPolarHBondContact CB-O 3.46Å; S346-I350 PolarHBondContact OG-O 3.27Å; P347-I350 PolarHBondContact O-N 2.7Å; P347-I350 VanDerWaalsContact O-N 3.17Å; H348-I350 VanDerWaalsContact C-N 3.27Å; H348-I350 HydrophobicContact CB-CD1 4.16Å; H348-I350 HydrophobicContact CB-CG1 4.19Å; I350-L354 HydrophobicContact CG2-CB 4.03Å; I350-L354 HydrophobicContact CG2-CD2 3.97Å; I350-L354 HydrophobicContact CG2-CG 4.1Å; I350-L355 HydrophobicContact CG2-CB 4.46Å
351P95Very high92.9Very high10 Ų1058.1 Ų58.17%0.06530%0.303CS..  trans-53.6141.3171.1-27.936.8000113.1I309 F312 I338 D353 L354 L355I309-P351 HydrophobicContact CD1-CB 4.44Å; I309-P351 HydrophobicContact CD1-CG 3.66Å; F312-P351 HydrophobicContact CB-CG 3.69Å; F312-P351 VanDerWaalsContact CD2-CD 3.42Å; F312-P351 HydrophobicContact CD2-CG 3.79Å; F312-P351 VanDerWaalsContact CG-CD 3.46Å; F312-P351 HydrophobicContact CG-CG 3.77Å; I338-P351 HydrophobicContact CD1-CB 4.41Å; I338-P351 HydrophobicContact CD1-CG 4.05Å; P351-D353 VanDerWaalsContact C-N 3.31Å; P351-D353 WeakPolarHBondContact CB-OD1 3.47Å; P351-D353 PolarHBondContact O-N 3.08Å; P351-L354 PolarHBondContact O-N 3.34Å; P351-L355 WeakPolarHBondContact O-CB 3.28Å; P351-L355 PolarHBondContact O-N 3.45Å
352L92.5Very high93.1Very high110 Ų11065.3 Ų65.358%0.57633%0.328SS*.Hα-helixtrans-61.9-37.4-174.1-67.2176000112.8L354 L355 D356L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.99Å; L352-L355 HydrophobicContact CD2-CD2 4.38Å; L352-L355 WeakPolarHBondContact O-CB 3.25Å; L352-L355 PolarHBondContact O-N 3.05Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L352-D356 PolarHBondContact O-N 3.29Å
353D90.2Very high93.4Very high90 Ų9057.1 Ų57.148%0.48129%0.29SS..Hα-helixtrans-62.1-36.5176.862.3-43.2000113.2H316 P351H316-D353 IonicContact CD2-OD2 3.72Å; H316-D353 IonicContact NE2-OD2 3.75Å; P351-D353 VanDerWaalsContact C-N 3.31Å; P351-D353 WeakPolarHBondContact CB-OD1 3.47Å; P351-D353 PolarHBondContact O-N 3.08Å
354L91.6Very high93.7Very high1 Ų155.3 Ų55.31%0.00528%0.278CS..Hα-helixtrans-76.6-39.2171.7-176.860.5000110.9F312 L319 F329 I350 P351 L352 D356 R357 V358F312-L354 HydrophobicContact CD1-CD2 3.58Å; F312-L354 HydrophobicContact CE1-CD2 4.21Å; F312-L354 HydrophobicContact CG-CD2 4.49Å; L319-L354 HydrophobicContact CD1-CD1 3.74Å; F329-L354 HydrophobicContact CE2-CD2 4.45Å; F329-L354 HydrophobicContact CZ-CD2 4.45Å; I350-L354 HydrophobicContact CG2-CB 4.03Å; I350-L354 HydrophobicContact CG2-CD2 3.97Å; I350-L354 HydrophobicContact CG2-CG 4.1Å; P351-L354 PolarHBondContact O-N 3.34Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.99Å; L354-D356 VanDerWaalsContact C-N 3.27Å; L354-D356 PolarHBondContact O-N 3.12Å; L354-R357 WeakPolarHBondContact O-CB 3.38Å; L354-R357 PolarHBondContact O-N 3.27Å; L354-V358 HydrophobicContact CG-CG2 4.31Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.78Å
355L91.7Very high93.8Very high23 Ų2356.3 Ų56.312%0.1228%0.283CS..Hα-helixtrans-60-36.7-179.9-166.365000112.2L67 P347 I350 P351 L352 R357 V358 I360L67-L355 HydrophobicContact CD2-CD1 4.21Å; P347-L355 HydrophobicContact CB-CD2 4.03Å; P347-L355 HydrophobicContact CG-CD2 4.32Å; I350-L355 HydrophobicContact CG2-CB 4.46Å; P351-L355 WeakPolarHBondContact O-CB 3.28Å; P351-L355 PolarHBondContact O-N 3.45Å; L352-L355 HydrophobicContact CD2-CD2 4.38Å; L352-L355 WeakPolarHBondContact O-CB 3.25Å; L352-L355 PolarHBondContact O-N 3.05Å; L352-L355 VanDerWaalsContact O-N 3.15Å; L355-R357 PolarHBondContact O-N 2.98Å; L355-V358 PolarHBondContact O-N 3.08Å; L355-I360 HydrophobicContact CD1-CD1 3.86Å; L355-I360 HydrophobicContact CG-CD1 4.42Å
356D88.5Confident93.8Very high142 Ų14254.9 Ų54.976%0.75927%0.27SS*.THydrogen-bonded Turntrans-63-21.1175.2-72.7-19.1000113.4L352 L354L352-D356 PolarHBondContact O-N 3.29Å; L354-D356 VanDerWaalsContact C-N 3.27Å; L354-D356 PolarHBondContact O-N 3.12Å
357R87.9Confident93.8Very high89 Ų8957.9 Ų57.934%0.33629%0.288SS..THydrogen-bonded Turntrans-95.70.4177.5-61.5-178.2175.2-165.4-1.4113.1A65 H316 E320 L354 L355A65-R357 PolarHBondContact N-O 3.05Å; H316-R357 PolarHBondContact CE1-NH1 2.98Å; H316-R357 PolarHBondContact CE1-NH2 2.95Å; H316-R357 VanDerWaalsContact CE1-NH2 3.33Å; H316-R357 PolarHBondContact NE2-NE 3.23Å; H316-R357 PolarHBondContact NE2-NH1 3.27Å; E320-R357 IonicContact OE1-CZ 2.79Å; E320-R357 IonicContact OE1-NH1 3.73Å; E320-R357 PolarHBondContact OE1-NH1 2.67Å; E320-R357 IonicContact OE1-NH2 3.17Å; E320-R357 PolarHBondContact OE1-NH2 2.79Å; E320-R357 VanDerWaalsContact OE1-NH2 3.1Å; L354-R357 WeakPolarHBondContact O-CB 3.38Å; L354-R357 PolarHBondContact O-N 3.27Å; L355-R357 PolarHBondContact O-N 2.98Å
358V92.6Very high93.6Very high14 Ų1458.7 Ų58.79%0.08529%0.293CS..EExtended strand (participates in β ladder)trans-109.1129.3-171.3176.60000110.8A65 L67 F329 L354 L355 I360A65-V358 HydrophobicContact CB-CG2 4.04Å; A65-V358 CarbonylContact O-C 3.52Å; A65-V358 WeakPolarHBondContact O-CA 3.3Å; L67-V358 HydrophobicContact CB-CG1 3.29Å; F329-V358 HydrophobicContact CD2-CG2 4.4Å; F329-V358 HydrophobicContact CE2-CG2 4.36Å; L354-V358 HydrophobicContact CG-CG2 4.31Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.78Å; L355-V358 PolarHBondContact O-N 3.08Å; V358-I360 HydrophobicContact CG1-CG1 4.48Å
359M94.7Very high93.6Very high56 Ų5664.1 Ų64.128%0.27632%0.319SS..EExtended strand (participates in β ladder)trans-84.2114.5171.2-67.9-176.9-7400109.9I52 M55 M61 R64 A65 V66 L67I52-M359 HydrophobicContact CD1-CE 3.24Å; I52-M359 HydrophobicContact CD1-SD 3.79Å; M55-M359 HydrophobicContact CE-CE 4.1Å; M55-M359 HydrophobicContact CE-SD 4.26Å; M55-M359 HydrophobicContact SD-CE 4.42Å; M55-M359 HydrophobicContact SD-SD 4.39Å; M61-M359 HydrophobicContact CE-CE 3.65Å; M61-M359 HydrophobicContact SD-CE 3.5Å; M61-M359 WeakPolarHBondContact SD-CE 3.36Å; R64-M359 HydrophobicContact CB-CE 4.26Å; A65-M359 PolarHBondContact O-N 2.83Å; V66-M359 CarbonylContact C-O 3.57Å; V66-M359 WeakPolarHBondContact CA-O 3.37Å; L67-M359 PolarHBondContact N-O 2.9Å
360I96.3Very high93.6Very high80 Ų8065.5 Ų65.541%0.4133%0.325SS..EExtended strand (participates in β ladder)trans-91.8116.7-175-51.4178.6000110.1L67 A69 L355 V358L67-I360 HydrophobicContact CB-CG1 4.36Å; L67-I360 HydrophobicContact CD2-CD1 4.33Å; L67-I360 HydrophobicContact CD2-CG1 4.13Å; L67-I360 HydrophobicContact CD2-CG2 4.28Å; L67-I360 HydrophobicContact CG-CG2 4.47Å; L67-I360 CarbonylContact O-C 3.54Å; L67-I360 WeakPolarHBondContact O-CA 3.38Å; A69-I360 HydrophobicContact CB-CG2 3.96Å; L355-I360 HydrophobicContact CD1-CD1 3.86Å; L355-I360 HydrophobicContact CG-CD1 4.42Å; V358-I360 HydrophobicContact CG1-CG1 4.48Å
361I97.8Very high93.5Very high14 Ų1466.1 Ų66.17%0.07233%0.328CS..EExtended strand (participates in β ladder)trans-105.1124.1172.5-56.6174.8000108A45 A48 I52 V66 L67 L68 A69A45-I361 HydrophobicContact CB-CG2 3.77Å; A48-I361 HydrophobicContact CB-CD1 3.82Å; A48-I361 HydrophobicContact CB-CG1 3.97Å; A48-I361 HydrophobicContact CB-CG2 4.03Å; I52-I361 HydrophobicContact CG1-CD1 4.16Å; V66-I361 HydrophobicContact CG1-CD1 3.79Å; V66-I361 HydrophobicContact CG1-CG1 4.23Å; L67-I361 PolarHBondContact O-N 2.86Å; L68-I361 WeakPolarHBondContact CA-O 3.49Å; L68-I361 HydrophobicContact CD2-CB 3.86Å; L68-I361 HydrophobicContact CD2-CD1 4.19Å; L68-I361 HydrophobicContact CD2-CG2 4.25Å; A69-I361 PolarHBondContact N-O 2.97Å
362R96.8Very high93.6Very high174 Ų17467.6 Ų67.666%0.65733%0.334SS*.EExtended strand (participates in β ladder)trans-90.9134.4-179.1-67.5179.160.9-170.8-3.3110.9A69A69-R362 CarbonylContact O-C 3.57Å; A69-R362 VanDerWaalsContact O-CA 3.27Å; A69-R362 WeakPolarHBondContact O-CA 3.45Å
363T95.9Very high93.7Very high3 Ų365.7 Ų65.72%0.01832%0.322CS..  trans-104141.9169.259.80000110.6A45 A69 G70 T74 K76 L79A45-T363 HydrophobicContact CB-CG2 4.4Å; A69-T363 PolarHBondContact O-N 3.22Å; G70-T363 WeakPolarHBondContact CA-OG1 3.38Å; T74-T363 WeakPolarHBondContact CB-OG1 3.49Å; T74-T363 PolarHBondContact OG1-OG1 2.63Å; K76-T363 HydrophobicContact CG-CG2 4.05Å; L79-T363 HydrophobicContact CD1-CG2 3.65Å
364M94.3Very high93.9Very high105 Ų10562.2 Ų62.252%0.51730%0.303SS..  trans-106.1165.8-175.9-61.7-60.2-74.800111.4Q42 T74Q42-M364 PolarHBondContact NE2-O 2.79Å; T74-M364 WeakPolarHBondContact CB-O 3.49Å; T74-M364 WeakPolarHBondContact CG2-O 3.42Å
365L93.3Very high94.1Very high121 Ų12162.2 Ų62.263%0.63430%0.303SS*.PPolyproline II helixtrans-68.9142.6170-66.1174.7000109.8P71 T74P71-L365 HydrophobicContact CB-CD2 3.75Å; P71-L365 HydrophobicContact CG-CD2 3.88Å; P71-L365 HydrophobicContact CG-CG 4.24Å; T74-L365 HydrophobicContact CG2-CD2 4.13Å
366Y94.4Very high94.3Very high26 Ų2664 Ų6410%0.10231%0.31CS..PPolyproline II helixtrans-72.8146.2175.1-66.9-71.2000111.3V40 Q42 G73 T74 E370 M371 I374 L403V40-Y366 WeakPolarHBondContact O-CE1 3.14Å; Q42-Y366 HydrophobicContact CG-CE1 3.59Å; G73-Y366 WeakPolarHBondContact O-CE2 3.44Å; T74-Y366 PolarHBondContact O-OH 3.15Å; Y366-E370 WeakPolarHBondContact CA-OE2 3.35Å; Y366-E370 HydrophobicContact CD1-CB 4.02Å; Y366-M371 VanDerWaalsContact O-CE 3.3Å; Y366-M371 WeakPolarHBondContact O-CE 3.26Å; Y366-I374 HydrophobicContact CD1-CD1 3.69Å; Y366-I374 HydrophobicContact CD2-CD1 3.99Å; Y366-I374 HydrophobicContact CE1-CD1 3.6Å; Y366-I374 HydrophobicContact CE2-CD1 3.93Å; Y366-I374 HydrophobicContact CG-CD1 3.87Å; Y366-L403 HydrophobicContact CD2-CD2 3.98Å; Y366-L403 HydrophobicContact CE2-CD2 3.8Å
367T94.3Very high94.6Very high69 Ų6958.3 Ų58.342%0.42328%0.279SS..PPolyproline II helixtrans-72.2158.8167.465.20000110.8Q369 E370 M371T367-Q369 PolarHBondContact O-N 3.5Å; T367-E370 PolarHBondContact N-OE2 3.45Å; T367-E370 PolarHBondContact O-N 3.47Å; T367-E370 VanDerWaalsContact O-N 3.12Å; T367-E370 VanDerWaalsContact OG1-CG 3.23Å; T367-E370 WeakPolarHBondContact OG1-CG 3.43Å; T367-E370 PolarHBondContact OG1-N 2.89Å; T367-E370 PolarHBondContact OG1-OE2 2.98Å; T367-E370 VanDerWaalsContact OG1-OE2 3.07Å; T367-M371 WeakPolarHBondContact O-CG 3.37Å; T367-M371 PolarHBondContact O-N 3.43Å
368P93.3Very high94.8Very high72 Ų7254.7 Ų54.747%0.46827%0.265SS..Hα-helixtrans-56.6-35.4176.8-27.235.5000113.5M371 K372 T399P368-M371 PolarHBondContact O-N 3.5Å; P368-K372 WeakPolarHBondContact O-CB 3.4Å; P368-K372 PolarHBondContact O-N 3.07Å; P368-T399 HydrophobicContact CG-CG2 4.47Å
369Q93.9Very high94.9Very high147 Ų14754 Ų5469%0.68726%0.262SS*.Hα-helixtrans-66.5-43.6176.8-64.7-62.9-21.700111.7T367 K372 Q373T367-Q369 PolarHBondContact O-N 3.5Å; Q369-K372 PolarHBondContact O-N 3.32Å; Q369-Q373 PolarHBondContact O-N 3.19Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å
370E94.9Very high94.8Very high29 Ų2957.5 Ų57.514%0.13628%0.277CS..Hα-helixtrans-64.9-42.6174.5-69.7168.2147.500111.5Q34 V40 G41 Y366 T367 K372 Q373 I374Q34-E370 PolarHBondContact NE2-OE1 2.81Å; V40-E370 HydrophobicContact CG1-CB 4.1Å; V40-E370 HydrophobicContact CG1-CG 4.11Å; G41-E370 VanDerWaalsContact CA-OE1 3.23Å; G41-E370 WeakPolarHBondContact CA-OE1 3.31Å; Y366-E370 WeakPolarHBondContact CA-OE2 3.35Å; Y366-E370 HydrophobicContact CD1-CB 4.02Å; T367-E370 PolarHBondContact N-OE2 3.45Å; T367-E370 PolarHBondContact O-N 3.47Å; T367-E370 VanDerWaalsContact O-N 3.12Å; T367-E370 VanDerWaalsContact OG1-CG 3.23Å; T367-E370 WeakPolarHBondContact OG1-CG 3.43Å; T367-E370 PolarHBondContact OG1-N 2.89Å; T367-E370 PolarHBondContact OG1-OE2 2.98Å; T367-E370 VanDerWaalsContact OG1-OE2 3.07Å; E370-K372 VanDerWaalsContact C-N 3.34Å; E370-K372 PolarHBondContact O-N 3.06Å; E370-Q373 PolarHBondContact O-N 3.04Å; E370-I374 WeakPolarHBondContact O-CD1 3.28Å; E370-I374 WeakPolarHBondContact O-CG1 3.4Å; E370-I374 PolarHBondContact O-N 3.03Å
371M94.4Very high94.5Very high14 Ų1456 Ų567%0.06927%0.272CS..Hα-helixtrans-58.8-46.3176.1-68.8-161-158.800111.4Y366 T367 P368 Q373 I374 V375 A395 T399Y366-M371 VanDerWaalsContact O-CE 3.3Å; Y366-M371 WeakPolarHBondContact O-CE 3.26Å; T367-M371 WeakPolarHBondContact O-CG 3.37Å; T367-M371 PolarHBondContact O-N 3.43Å; P368-M371 PolarHBondContact O-N 3.5Å; M371-Q373 VanDerWaalsContact C-N 3.29Å; M371-Q373 PolarHBondContact O-N 3.38Å; M371-I374 PolarHBondContact O-N 3.29Å; M371-V375 VanDerWaalsContact O-CG2 3.29Å; M371-V375 WeakPolarHBondContact O-CG2 3.17Å; M371-V375 PolarHBondContact O-N 3.21Å; M371-A395 HydrophobicContact CB-CB 4.16Å; M371-T399 PolarHBondContact SD-N 3.14Å; M371-T399 VanDerWaalsContact SD-N 3.45Å
372K96Very high94.1Very high40 Ų4057.6 Ų57.617%0.17428%0.279CS..Hα-helixtrans-55.4-47175.8-175.9176.7175.9172.70111.1P368 Q369 E370 V375 K376 E388 L391 T392 A395P368-K372 WeakPolarHBondContact O-CB 3.4Å; P368-K372 PolarHBondContact O-N 3.07Å; Q369-K372 PolarHBondContact O-N 3.32Å; E370-K372 VanDerWaalsContact C-N 3.34Å; E370-K372 PolarHBondContact O-N 3.06Å; K372-V375 PolarHBondContact O-N 2.73Å; K372-K376 WeakPolarHBondContact O-CB 2.82Å; K372-K376 PolarHBondContact O-N 3.38Å; K372-E388 WeakPolarHBondContact CE-OE2 3.44Å; K372-E388 IonicContact NZ-OE2 3.63Å; K372-E388 PolarHBondContact NZ-OE2 2.92Å; K372-L391 HydrophobicContact CG-CB 4.17Å; K372-T392 PolarHBondContact NZ-OG1 3.49Å; K372-A395 HydrophobicContact CB-CB 3.86Å
373Q95.5Very high93.9Very high71 Ų7152.1 Ų52.133%0.33228%0.277SS..Hα-helixtrans-66.4-39.3179.4-171.564.610.300112.6T35 V40 Q369 E370 M371 K376 I377T35-Q373 HydrophobicContact CG2-CG 4.45Å; V40-Q373 HydrophobicContact CG1-CB 4.03Å; V40-Q373 HydrophobicContact CG1-CG 4.04Å; V40-Q373 HydrophobicContact CG2-CB 4.35Å; V40-Q373 HydrophobicContact CG2-CG 3.86Å; Q369-Q373 PolarHBondContact O-N 3.19Å; Q369-Q373 VanDerWaalsContact O-N 3.08Å; E370-Q373 PolarHBondContact O-N 3.04Å; M371-Q373 VanDerWaalsContact C-N 3.29Å; M371-Q373 PolarHBondContact O-N 3.38Å; Q373-K376 WeakPolarHBondContact O-CB 3.28Å; Q373-K376 PolarHBondContact O-N 3.01Å; Q373-I377 HydrophobicContact CG-CD1 4.32Å; Q373-I377 WeakPolarHBondContact O-CG1 3.42Å; Q373-I377 PolarHBondContact O-N 3.28Å
374I94.6Very high93.8Very high17 Ų1752.7 Ų52.79%0.08728%0.28CS..Hα-helixtrans-64.3-46.6176.3-64.9161.2000110.6V40 Y366 E370 M371 K376 I377 R378 L403V40-I374 HydrophobicContact CB-CD1 4.32Å; V40-I374 HydrophobicContact CB-CG1 3.69Å; V40-I374 HydrophobicContact CG1-CG1 4.33Å; V40-I374 HydrophobicContact CG2-CG1 3.79Å; Y366-I374 HydrophobicContact CD1-CD1 3.69Å; Y366-I374 HydrophobicContact CD2-CD1 3.99Å; Y366-I374 HydrophobicContact CE1-CD1 3.6Å; Y366-I374 HydrophobicContact CE2-CD1 3.93Å; Y366-I374 HydrophobicContact CG-CD1 3.87Å; E370-I374 WeakPolarHBondContact O-CD1 3.28Å; E370-I374 WeakPolarHBondContact O-CG1 3.4Å; E370-I374 PolarHBondContact O-N 3.03Å; M371-I374 PolarHBondContact O-N 3.29Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 3.36Å; I374-I377 PolarHBondContact O-N 2.94Å; I374-R378 WeakPolarHBondContact O-CG 3.23Å; I374-R378 PolarHBondContact O-N 3.33Å; I374-L403 HydrophobicContact CB-CD1 4.33Å; I374-L403 HydrophobicContact CD1-CD2 4.01Å; I374-L403 HydrophobicContact CG2-CD1 4.02Å; I374-L403 HydrophobicContact CG2-CD2 3.95Å; I374-L403 HydrophobicContact CG2-CG 4.49Å
375V94.9Very high93.8Very high0 Ų050.7 Ų50.70%028%0.276CS..Hα-helixtrans-60.8-40.5176.8175.10000110.3M371 K372 R378 A379 L391 L394 L403 V407 L410M371-V375 VanDerWaalsContact O-CG2 3.29Å; M371-V375 WeakPolarHBondContact O-CG2 3.17Å; M371-V375 PolarHBondContact O-N 3.21Å; K372-V375 PolarHBondContact O-N 2.73Å; V375-R378 PolarHBondContact O-N 3.21Å; V375-A379 WeakPolarHBondContact O-CB 3.17Å; V375-A379 PolarHBondContact O-N 3.05Å; V375-L391 HydrophobicContact CB-CD2 4.3Å; V375-L391 HydrophobicContact CG1-CD2 3.77Å; V375-L394 HydrophobicContact CG1-CB 4.18Å; V375-L394 HydrophobicContact CG1-CD1 3.77Å; V375-L403 HydrophobicContact CG2-CD1 4.21Å; V375-V407 HydrophobicContact CG2-CG2 4.32Å; V375-L410 HydrophobicContact CG1-CD1 4.16Å; V375-L410 HydrophobicContact CG1-CD2 3.94Å; V375-L410 HydrophobicContact CG1-CG 4.32Å
376K95.6Very high94Very high61 Ų6146.1 Ų46.127%0.26525%0.252SS..Hα-helixtrans-59.9-47.7175.2-174.3169.8-173.3157.70112.5K372 Q373 I374 R378 A379 Q380 E388 L391K372-K376 WeakPolarHBondContact O-CB 2.82Å; K372-K376 PolarHBondContact O-N 3.38Å; Q373-K376 WeakPolarHBondContact O-CB 3.28Å; Q373-K376 PolarHBondContact O-N 3.01Å; I374-K376 VanDerWaalsContact C-N 3.28Å; I374-K376 PolarHBondContact O-N 3.36Å; K376-R378 VanDerWaalsContact C-N 3.3Å; K376-R378 PolarHBondContact O-N 3.37Å; K376-A379 PolarHBondContact O-N 3.47Å; K376-Q380 WeakPolarHBondContact O-CG 3.45Å; K376-Q380 PolarHBondContact O-N 3.22Å; K376-E388 IonicContact NZ-OE1 3.45Å; K376-E388 PolarHBondContact NZ-OE1 3.09Å; K376-L391 HydrophobicContact CB-CD1 4.17Å; K376-L391 HydrophobicContact CB-CD2 4.09Å; K376-L391 HydrophobicContact CD-CD1 4.14Å; K376-L391 HydrophobicContact CG-CD1 4.12Å
377I94.2Very high94.1Very high22 Ų2246.3 Ų46.311%0.11326%0.257CS..Hα-helixtrans-61.7-40.5176.6-68.4166.1000110.8H20 T35 V40 Q373 I374 Q380 T381H20-I377 HydrophobicContact CB-CG2 4.17Å; T35-I377 HydrophobicContact CG2-CD1 4.23Å; V40-I377 HydrophobicContact CG2-CD1 3.44Å; V40-I377 VanDerWaalsContact CG2-CD1 3.44Å; Q373-I377 HydrophobicContact CG-CD1 4.32Å; Q373-I377 WeakPolarHBondContact O-CG1 3.42Å; Q373-I377 PolarHBondContact O-N 3.28Å; I374-I377 PolarHBondContact O-N 2.94Å; I377-Q380 PolarHBondContact O-N 3.49Å; I377-T381 WeakPolarHBondContact O-CB 3.4Å; I377-T381 PolarHBondContact O-N 2.87Å; I377-T381 PolarHBondContact O-OG1 3.11Å
378R93.1Very high94.2Very high13 Ų1347.4 Ų47.45%0.04926%0.257CS..Hα-helixtrans-65.7-45.9177.1-71.1-61.4-61.4170.1-3.2112.2A16 S17 H20 I374 V375 K376 Q380 T381 E382 V407 L410A16-R378 PolarHBondContact O-NH1 3.31Å; A16-R378 VanDerWaalsContact O-NH1 3.14Å; S17-R378 PolarHBondContact O-NH1 3.36Å; H20-R378 PolarHBondContact ND1-NH1 3.45Å; I374-R378 WeakPolarHBondContact O-CG 3.23Å; I374-R378 PolarHBondContact O-N 3.33Å; V375-R378 PolarHBondContact O-N 3.21Å; K376-R378 VanDerWaalsContact C-N 3.3Å; K376-R378 PolarHBondContact O-N 3.37Å; R378-Q380 VanDerWaalsContact C-N 3.31Å; R378-Q380 PolarHBondContact O-N 2.88Å; R378-T381 WeakPolarHBondContact O-CB 3.25Å; R378-T381 PolarHBondContact O-N 3.41Å; R378-T381 VanDerWaalsContact O-N 3.14Å; R378-E382 IonicContact CZ-OE1 3.84Å; R378-E382 IonicContact NE-OE1 3.89Å; R378-E382 IonicContact NH2-OE1 4Å; R378-E382 PolarHBondContact NH2-OE1 3.34Å; R378-E382 PolarHBondContact O-N 3.2Å; R378-V407 HydrophobicContact CB-CG1 4.33Å; R378-V407 HydrophobicContact CG-CG1 4.23Å; R378-V407 HydrophobicContact CG-CG2 4.23Å; R378-L410 HydrophobicContact CB-CD1 4.05Å
379A93.9Very high94.4Very high1 Ų150.6 Ų50.61%0.00827%0.266CS..Hα-helixtrans-57.6-45.1175.300000111.3V375 K376 T381 E382 G383 I384 I386 L410V375-A379 WeakPolarHBondContact O-CB 3.17Å; V375-A379 PolarHBondContact O-N 3.05Å; K376-A379 PolarHBondContact O-N 3.47Å; A379-T381 PolarHBondContact O-N 3.09Å; A379-E382 CarbonylContact O-C 3.55Å; A379-E382 PolarHBondContact O-N 2.97Å; A379-G383 PolarHBondContact O-N 3.26Å; A379-I384 HydrophobicContact CB-CB 4.37Å; A379-I384 PolarHBondContact O-N 3.35Å; A379-I386 HydrophobicContact CB-CG2 3.82Å; A379-L410 HydrophobicContact CB-CD1 4.31Å; A379-L410 HydrophobicContact CB-CD2 4.18Å
380Q92.8Very high94.5Very high129 Ų12943.6 Ų43.660%0.60323%0.233SC*.Hα-helixtrans-61.9-42.2174.9-72.6175.5-15.500112.7K376 I377 R378 E382 G383K376-Q380 WeakPolarHBondContact O-CG 3.45Å; K376-Q380 PolarHBondContact O-N 3.22Å; I377-Q380 PolarHBondContact O-N 3.49Å; R378-Q380 VanDerWaalsContact C-N 3.31Å; R378-Q380 PolarHBondContact O-N 2.88Å; Q380-E382 VanDerWaalsContact C-N 3.26Å; Q380-E382 PolarHBondContact O-N 3.2Å; Q380-G383 PolarHBondContact O-N 2.91Å; Q380-G383 VanDerWaalsContact O-N 3.14Å
381T90.4Very high94.6Very high48 Ų4842.3 Ų42.329%0.29423%0.227SC..Hα-helixtrans-62.4-37.3177.9-54.80000111.3I15 H20 I377 R378 A379 G383I15-T381 VanDerWaalsContact CD1-O 3.31Å; I15-T381 WeakPolarHBondContact CD1-O 2.9Å; I15-T381 HydrophobicContact CG2-CG2 3.87Å; H20-T381 HydrophobicContact CB-CG2 4.24Å; H20-T381 WeakPolarHBondContact CB-OG1 3.21Å; I377-T381 WeakPolarHBondContact O-CB 3.4Å; I377-T381 PolarHBondContact O-N 2.87Å; I377-T381 PolarHBondContact O-OG1 3.11Å; R378-T381 WeakPolarHBondContact O-CB 3.25Å; R378-T381 PolarHBondContact O-N 3.41Å; R378-T381 VanDerWaalsContact O-N 3.14Å; A379-T381 PolarHBondContact O-N 3.09Å; T381-G383 VanDerWaalsContact C-N 3.31Å
382E90.3Very high94.7Very high47 Ų4744.3 Ų44.322%0.2224%0.24CC..THydrogen-bonded Turntrans-84.3-2.3178.5-68.2176.5-153.600113.5I15 R378 A379 Q380 I384 T411I15-E382 HydrophobicContact CD1-CB 4.43Å; I15-E382 HydrophobicContact CD1-CG 4.18Å; I15-E382 HydrophobicContact CG2-CG 4.01Å; R378-E382 IonicContact CZ-OE1 3.84Å; R378-E382 IonicContact NE-OE1 3.89Å; R378-E382 IonicContact NH2-OE1 4Å; R378-E382 PolarHBondContact NH2-OE1 3.34Å; R378-E382 PolarHBondContact O-N 3.2Å; A379-E382 CarbonylContact O-C 3.55Å; A379-E382 PolarHBondContact O-N 2.97Å; Q380-E382 VanDerWaalsContact C-N 3.26Å; Q380-E382 PolarHBondContact O-N 3.2Å; E382-I384 VanDerWaalsContact C-N 3.28Å; E382-I384 HydrophobicContact CB-CD1 3.86Å; E382-I384 HydrophobicContact CB-CG1 4.02Å; E382-I384 PolarHBondContact O-N 2.97Å; E382-T411 PolarHBondContact OE2-OG1 3.19Å
383G91.6Very high94.7Very high59 Ų5943.6 Ų43.661%0.60824%0.237SC*.THydrogen-bonded Turntrans67.427.5-178.100000113.5A379 Q380 T381A379-G383 PolarHBondContact O-N 3.26Å; Q380-G383 PolarHBondContact O-N 2.91Å; Q380-G383 VanDerWaalsContact O-N 3.14Å; T381-G383 VanDerWaalsContact C-N 3.31Å
384I94.4Very high94.7Very high16 Ų1640.3 Ų40.38%0.08222%0.222CC..  trans-94.7119-179.7-61171.9000109.1A379 E382 L410 V425A379-I384 HydrophobicContact CB-CB 4.37Å; A379-I384 PolarHBondContact O-N 3.35Å; E382-I384 VanDerWaalsContact C-N 3.28Å; E382-I384 HydrophobicContact CB-CD1 3.86Å; E382-I384 HydrophobicContact CB-CG1 4.02Å; E382-I384 PolarHBondContact O-N 2.97Å; I384-L410 HydrophobicContact CD1-CB 4.06Å; I384-V425 HydrophobicContact CG2-CG2 3.86Å
385S95Very high94.8Very high62 Ų6239.7 Ų39.743%0.43422%0.219SC..EExtended strand (participates in β ladder)trans-75.8128.1168.1-174.40000109.5T424 V425S385-T424 PolarHBondContact OG-OG1 2.91Å; S385-V425 PolarHBondContact O-N 3.11Å
386I96.4Very high94.8Very high26 Ų2644 Ų4413%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-140.4138.3-176.6-174.1166.1000110.6A379 A390 L391 L394 L410 V425A379-I386 HydrophobicContact CB-CG2 3.82Å; I386-A390 HydrophobicContact CD1-CB 3.95Å; I386-A390 HydrophobicContact CG1-CB 3.63Å; I386-L391 HydrophobicContact CB-CG 4.49Å; I386-L391 HydrophobicContact CD1-CD2 3.98Å; I386-L391 HydrophobicContact CD1-CG 4.1Å; I386-L391 HydrophobicContact CG1-CD2 4.39Å; I386-L391 HydrophobicContact CG1-CG 4.05Å; I386-L391 HydrophobicContact CG2-CD1 4Å; I386-L391 HydrophobicContact CG2-CD2 3.73Å; I386-L391 HydrophobicContact CG2-CG 3.71Å; I386-L394 HydrophobicContact CD1-CD1 3.48Å; I386-L394 VanDerWaalsContact CD1-CD1 3.48Å; I386-L410 HydrophobicContact CD1-CD2 3.8Å; I386-V425 HydrophobicContact CB-CB 4.28Å; I386-V425 HydrophobicContact CD1-CG1 4.35Å; I386-V425 HydrophobicContact CG1-CB 4.07Å; I386-V425 HydrophobicContact CG1-CG1 4.31Å
387S97Very high94.7Very high30 Ų3041.6 Ų41.621%0.2123%0.23CC..  trans-73.3155.5178.479.10000112.1E389 A390 L391 V425S387-E389 PolarHBondContact O-N 3.47Å; S387-A390 PolarHBondContact O-N 3.2Å; S387-A390 WeakPolarHBondContact OG-CB 3.4Å; S387-A390 PolarHBondContact OG-N 2.91Å; S387-L391 PolarHBondContact O-N 2.68Å; S387-V425 PolarHBondContact N-O 2.98Å
388E96.2Very high94.6Very high92 Ų9240.7 Ų40.743%0.4323%0.226SC..Hα-helixtrans-64.4-29.6178.5-77.5-68.4153.100112.7K372 K376 T392K372-E388 WeakPolarHBondContact CE-OE2 3.44Å; K372-E388 IonicContact NZ-OE2 3.63Å; K372-E388 PolarHBondContact NZ-OE2 2.92Å; K376-E388 IonicContact NZ-OE1 3.45Å; K376-E388 PolarHBondContact NZ-OE1 3.09Å; E388-T392 WeakPolarHBondContact O-CB 3.47Å; E388-T392 PolarHBondContact O-N 3.46Å; E388-T392 VanDerWaalsContact O-N 3.09Å; E388-T392 PolarHBondContact O-OG1 3.09Å
389E96.6Very high94.5Very high138 Ų13843.4 Ų43.465%0.64524%0.244SC*.Hα-helixtrans-68.9-46.2173.5-65.9-175.7178.500111.6S387 L391 T392 H393S387-E389 PolarHBondContact O-N 3.47Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.49Å; E389-T392 PolarHBondContact O-N 3.31Å; E389-H393 PolarHBondContact O-N 3.18Å
390A96.4Very high94.4Very high0 Ų050.6 Ų50.60%028%0.275CS..Hα-helixtrans-62.1-41176.400000111.8I386 S387 T392 H393 L394 V430I386-A390 HydrophobicContact CD1-CB 3.95Å; I386-A390 HydrophobicContact CG1-CB 3.63Å; S387-A390 PolarHBondContact O-N 3.2Å; S387-A390 WeakPolarHBondContact OG-CB 3.4Å; S387-A390 PolarHBondContact OG-N 2.91Å; A390-T392 VanDerWaalsContact C-N 3.35Å; A390-T392 PolarHBondContact O-N 3.03Å; A390-H393 PolarHBondContact O-N 2.86Å; A390-L394 WeakPolarHBondContact O-CB 3.46Å; A390-L394 WeakPolarHBondContact O-CG 3.27Å; A390-L394 PolarHBondContact O-N 2.72Å; A390-V430 HydrophobicContact CB-CG2 4.14Å
391L96.8Very high94.3Very high2 Ų245.5 Ų45.51%0.0125%0.253CS..Hα-helixtrans-60.2-43.2174.1-80.6173.5000112.6K372 V375 K376 I386 S387 E389 L394 A395K372-L391 HydrophobicContact CG-CB 4.17Å; V375-L391 HydrophobicContact CB-CD2 4.3Å; V375-L391 HydrophobicContact CG1-CD2 3.77Å; K376-L391 HydrophobicContact CB-CD1 4.17Å; K376-L391 HydrophobicContact CB-CD2 4.09Å; K376-L391 HydrophobicContact CD-CD1 4.14Å; K376-L391 HydrophobicContact CG-CD1 4.12Å; I386-L391 HydrophobicContact CB-CG 4.49Å; I386-L391 HydrophobicContact CD1-CD2 3.98Å; I386-L391 HydrophobicContact CD1-CG 4.1Å; I386-L391 HydrophobicContact CG1-CD2 4.39Å; I386-L391 HydrophobicContact CG1-CG 4.05Å; I386-L391 HydrophobicContact CG2-CD1 4Å; I386-L391 HydrophobicContact CG2-CD2 3.73Å; I386-L391 HydrophobicContact CG2-CG 3.71Å; S387-L391 PolarHBondContact O-N 2.68Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.49Å; L391-L394 PolarHBondContact O-N 2.79Å; L391-A395 PolarHBondContact O-N 3.06Å
392T96.9Very high94.3Very high56 Ų5645.6 Ų45.634%0.34425%0.253SS..Hα-helixtrans-65.5-43.4178.7-54.30000110.2K372 E388 E389 A390 A395 E396K372-T392 PolarHBondContact NZ-OG1 3.49Å; E388-T392 WeakPolarHBondContact O-CB 3.47Å; E388-T392 PolarHBondContact O-N 3.46Å; E388-T392 VanDerWaalsContact O-N 3.09Å; E388-T392 PolarHBondContact O-OG1 3.09Å; E389-T392 PolarHBondContact O-N 3.31Å; A390-T392 VanDerWaalsContact C-N 3.35Å; A390-T392 PolarHBondContact O-N 3.03Å; T392-A395 WeakPolarHBondContact O-CB 3.28Å; T392-A395 PolarHBondContact O-N 2.97Å; T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.4Å
393H96.3Very high94.4Very high26 Ų2644.4 Ų44.412%0.1225%0.248CC..Hα-helixtrans-63.7-43176.7-168.356.9000112.9E389 A390 A395 E396 I397 R427 E431E389-H393 PolarHBondContact O-N 3.18Å; A390-H393 PolarHBondContact O-N 2.86Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 3.24Å; H393-E396 IonicContact ND1-OE2 2.74Å; H393-E396 WeakPolarHBondContact O-CB 3.43Å; H393-E396 PolarHBondContact O-N 3.24Å; H393-I397 WeakPolarHBondContact O-CG1 3.44Å; H393-I397 PolarHBondContact O-N 3.26Å; H393-R427 HydrophobicContact CB-CG 4.43Å; H393-E431 WeakPolarHBondContact NE2-CG 3.48Å
394L96.3Very high94.3Very high1 Ų149.2 Ų49.21%0.00525%0.248CC..Hα-helixtrans-60.7-37.2173.7-77.3173.1000112.5V375 I386 A390 L391 I397 G398 A406 L409 L410 V430V375-L394 HydrophobicContact CG1-CB 4.18Å; V375-L394 HydrophobicContact CG1-CD1 3.77Å; I386-L394 HydrophobicContact CD1-CD1 3.48Å; I386-L394 VanDerWaalsContact CD1-CD1 3.48Å; A390-L394 WeakPolarHBondContact O-CB 3.46Å; A390-L394 WeakPolarHBondContact O-CG 3.27Å; A390-L394 PolarHBondContact O-N 2.72Å; L391-L394 PolarHBondContact O-N 2.79Å; L394-I397 PolarHBondContact O-N 3.22Å; L394-G398 PolarHBondContact O-N 2.83Å; L394-A406 WeakPolarHBondContact O-CB 3.5Å; L394-L409 HydrophobicContact CD2-CB 3.91Å; L394-L409 HydrophobicContact CD2-CD1 4.02Å; L394-L410 HydrophobicContact CD1-CD2 3.55Å; L394-L410 HydrophobicContact CD1-CG 4.34Å; L394-V430 HydrophobicContact CD1-CG2 4.37Å; L394-V430 HydrophobicContact CD2-CG1 3.48Å; L394-V430 VanDerWaalsContact CD2-CG1 3.48Å; L394-V430 HydrophobicContact CD2-CG2 4.35Å; L394-V430 HydrophobicContact CG-CG1 3.84Å; L394-V430 HydrophobicContact CG-CG2 4.17Å
395A95.4Very high94.3Very high4 Ų449.4 Ų49.43%0.03325%0.248CC..Hα-helixtrans-66.6-39175.700000112.2M371 K372 L391 T392 H393 G398 T399M371-A395 HydrophobicContact CB-CB 4.16Å; K372-A395 HydrophobicContact CB-CB 3.86Å; L391-A395 PolarHBondContact O-N 3.06Å; T392-A395 WeakPolarHBondContact O-CB 3.28Å; T392-A395 PolarHBondContact O-N 2.97Å; H393-A395 VanDerWaalsContact C-N 3.29Å; H393-A395 PolarHBondContact O-N 3.24Å; A395-G398 PolarHBondContact O-N 3.29Å; A395-T399 WeakPolarHBondContact O-CB 3.45Å; A395-T399 PolarHBondContact O-N 3.2Å; A395-T399 PolarHBondContact O-OG1 3.27Å
396E94.8Very high94.2Very high92 Ų9246.4 Ų46.443%0.4323%0.227SC..Hα-helixtrans-63.1-45.3172.8-68.9173.6-175.900111.9T392 H393 G398 T399 K400T392-E396 WeakPolarHBondContact O-CG 3.48Å; T392-E396 PolarHBondContact O-N 3.4Å; H393-E396 IonicContact ND1-OE2 2.74Å; H393-E396 WeakPolarHBondContact O-CB 3.43Å; H393-E396 PolarHBondContact O-N 3.24Å; E396-G398 VanDerWaalsContact C-N 3.34Å; E396-G398 PolarHBondContact O-N 3.05Å; E396-T399 PolarHBondContact O-N 3.11Å; E396-K400 WeakPolarHBondContact O-CG 3.28Å; E396-K400 PolarHBondContact O-N 2.96Å; E396-K400 VanDerWaalsContact O-N 3.11Å
397I93.9Very high94.1Very high10 Ų1046.4 Ų46.45%0.05123%0.228CC..Hα-helixtrans-57.7-48.6174.2-68.5169000109.8H393 L394 T399 K400 T401 Y405 L409 V430 N434H393-I397 WeakPolarHBondContact O-CG1 3.44Å; H393-I397 PolarHBondContact O-N 3.26Å; L394-I397 PolarHBondContact O-N 3.22Å; I397-T399 VanDerWaalsContact C-N 3.28Å; I397-T399 PolarHBondContact O-N 3.33Å; I397-K400 PolarHBondContact O-N 3.25Å; I397-T401 WeakPolarHBondContact O-CB 3.41Å; I397-T401 PolarHBondContact O-N 3.2Å; I397-T401 PolarHBondContact O-OG1 3.17Å; I397-Y405 HydrophobicContact CG2-CD1 3.78Å; I397-Y405 HydrophobicContact CG2-CE1 3.64Å; I397-L409 HydrophobicContact CD1-CD1 4.16Å; I397-L409 HydrophobicContact CG2-CD1 4.03Å; I397-V430 HydrophobicContact CD1-CG1 3.84Å; I397-N434 HydrophobicContact CD1-CB 4.26Å
398G92.5Very high93.9Very high3 Ų350.6 Ų50.63%0.03124%0.244CC..Hα-helixtrans-61.4-34.4179.700000113.5L394 A395 E396 T401 T402L394-G398 PolarHBondContact O-N 2.83Å; A395-G398 PolarHBondContact O-N 3.29Å; E396-G398 VanDerWaalsContact C-N 3.34Å; E396-G398 PolarHBondContact O-N 3.05Å; G398-T401 CarbonylContact O-C 3.52Å; G398-T402 CarbonylContact O-C 3.59Å; G398-T402 WeakPolarHBondContact O-CA 3.4Å; G398-T402 PolarHBondContact O-N 2.89Å
399T91.3Very high93.9Very high69 Ų6946.4 Ų46.442%0.42323%0.225SC..Hα-helixtrans-69-39.6176.6-57.20000111.8P368 M371 A395 E396 I397P368-T399 HydrophobicContact CG-CG2 4.47Å; M371-T399 PolarHBondContact SD-N 3.14Å; M371-T399 VanDerWaalsContact SD-N 3.45Å; A395-T399 WeakPolarHBondContact O-CB 3.45Å; A395-T399 PolarHBondContact O-N 3.2Å; A395-T399 PolarHBondContact O-OG1 3.27Å; E396-T399 PolarHBondContact O-N 3.11Å; I397-T399 VanDerWaalsContact C-N 3.28Å; I397-T399 PolarHBondContact O-N 3.33Å
400K90.4Very high93.8Very high152 Ų15239.9 Ų39.966%0.66119%0.194SC*.Hα-helixtrans-73.6-35.1176.5-66.1172-174.9171.10112.2E396 I397 K441E396-K400 WeakPolarHBondContact O-CG 3.28Å; E396-K400 PolarHBondContact O-N 2.96Å; E396-K400 VanDerWaalsContact O-N 3.11Å; I397-K400 PolarHBondContact O-N 3.25Å; K400-K441 PolarHBondContact O-NZ 3.25Å; K400-K441 VanDerWaalsContact O-NZ 3.11Å
401T91.1Very high93.6Very high23 Ų2343.2 Ų43.214%0.14122%0.215CC..SBendtrans-107.9-104.3-174.263.10000111.3I397 G398 Y405 D439I397-T401 WeakPolarHBondContact O-CB 3.41Å; I397-T401 PolarHBondContact O-N 3.2Å; I397-T401 PolarHBondContact O-OG1 3.17Å; G398-T401 CarbonylContact O-C 3.52Å; T401-Y405 HydrophobicContact CG2-CD1 4.15Å; T401-Y405 HydrophobicContact CG2-CE1 4.34Å; T401-Y405 VanDerWaalsContact OG1-CD1 3.28Å; T401-Y405 WeakPolarHBondContact OG1-CD1 3.44Å; T401-D439 HydrophobicContact CG2-CB 3.8Å; T401-D439 VanDerWaalsContact CG2-CG 3.47Å
402T90.6Very high93.6Very high49 Ų4944.7 Ų44.730%0.30123%0.225SC..  trans-149.1155.117367.90000110.2G398 R404 Y405 A406G398-T402 CarbonylContact O-C 3.59Å; G398-T402 WeakPolarHBondContact O-CA 3.4Å; G398-T402 PolarHBondContact O-N 2.89Å; T402-R404 PolarHBondContact O-N 3.48Å; T402-Y405 PolarHBondContact O-N 3.21Å; T402-Y405 WeakPolarHBondContact OG1-CB 2.98Å; T402-Y405 PolarHBondContact OG1-N 3.42Å; T402-A406 PolarHBondContact O-N 2.67Å; T402-A406 VanDerWaalsContact O-N 3.17Å
403L91.5Very high93.6Very high23 Ų2342.1 Ų42.112%0.1221%0.209CC..Hα-helixtrans-57.4-37.4172.4178.363.8000112.6Y366 I374 V375 Y405 A406 V407Y366-L403 HydrophobicContact CD2-CD2 3.98Å; Y366-L403 HydrophobicContact CE2-CD2 3.8Å; I374-L403 HydrophobicContact CB-CD1 4.33Å; I374-L403 HydrophobicContact CD1-CD2 4.01Å; I374-L403 HydrophobicContact CG2-CD1 4.02Å; I374-L403 HydrophobicContact CG2-CD2 3.95Å; I374-L403 HydrophobicContact CG2-CG 4.49Å; V375-L403 HydrophobicContact CG2-CD1 4.21Å; L403-Y405 VanDerWaalsContact C-N 3.31Å; L403-Y405 PolarHBondContact O-N 2.88Å; L403-A406 PolarHBondContact O-N 3.02Å; L403-V407 HydrophobicContact CD1-CG2 4.1Å; L403-V407 HydrophobicContact CG-CG2 4.4Å; L403-V407 WeakPolarHBondContact O-CG2 3.15Å; L403-V407 PolarHBondContact O-N 3.1Å
404R91.1Very high93.5Very high160 Ų16041.4 Ų41.460%0.60421%0.207SC*.Hα-helixtrans-59.6-44.6179.1-177.8-179.1-70174.6-3.1111.1T402 Q408T402-R404 PolarHBondContact O-N 3.48Å; R404-Q408 VanDerWaalsContact O-CG 3.28Å; R404-Q408 WeakPolarHBondContact O-CG 3.37Å; R404-Q408 PolarHBondContact O-N 3.02Å; R404-Q408 VanDerWaalsContact O-N 3.1Å
405Y93.1Very high93.5Very high19 Ų1946 Ų468%0.07523%0.231CC..Hα-helixtrans-65.2-48.6178.1178.7-104.5000111.4I397 T401 T402 L403 V407 Q408 L409 N434 F437 D439I397-Y405 HydrophobicContact CG2-CD1 3.78Å; I397-Y405 HydrophobicContact CG2-CE1 3.64Å; T401-Y405 HydrophobicContact CG2-CD1 4.15Å; T401-Y405 HydrophobicContact CG2-CE1 4.34Å; T401-Y405 VanDerWaalsContact OG1-CD1 3.28Å; T401-Y405 WeakPolarHBondContact OG1-CD1 3.44Å; T402-Y405 PolarHBondContact O-N 3.21Å; T402-Y405 WeakPolarHBondContact OG1-CB 2.98Å; T402-Y405 PolarHBondContact OG1-N 3.42Å; L403-Y405 VanDerWaalsContact C-N 3.31Å; L403-Y405 PolarHBondContact O-N 2.88Å; Y405-V407 VanDerWaalsContact C-N 3.31Å; Y405-V407 PolarHBondContact O-N 3.24Å; Y405-Q408 WeakPolarHBondContact O-CB 3.48Å; Y405-Q408 PolarHBondContact O-N 2.74Å; Y405-L409 HydrophobicContact CD1-CD1 4.29Å; Y405-L409 HydrophobicContact CE1-CD1 3.8Å; Y405-L409 HydrophobicContact CE1-CD2 4.41Å; Y405-L409 HydrophobicContact CE1-CG 4.34Å; Y405-L409 HydrophobicContact CE2-CD2 4.25Å; Y405-L409 PolarHBondContact O-N 3.42Å; Y405-N434 WeakPolarHBondContact CE1-OD1 3.26Å; Y405-N434 PolarHBondContact OH-OD1 3.16Å; Y405-F437 PolarHBondContact OH-O 2.94Å; Y405-D439 HydrophobicContact CD1-CB 4.02Å; Y405-D439 HydrophobicContact CD2-CB 3.89Å; Y405-D439 HydrophobicContact CE1-CB 3.91Å; Y405-D439 HydrophobicContact CE2-CB 3.78Å; Y405-D439 HydrophobicContact CG-CB 3.99Å
406A94.2Very high93.4Very high0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-57.3-41.5177.900000113.1L394 T402 L403 L409L394-A406 WeakPolarHBondContact O-CB 3.5Å; T402-A406 PolarHBondContact O-N 2.67Å; T402-A406 VanDerWaalsContact O-N 3.17Å; L403-A406 PolarHBondContact O-N 3.02Å; A406-L409 PolarHBondContact O-N 3.03Å
407V93.1Very high93.4Very high25 Ų2542.8 Ų42.815%0.15222%0.216CC..Hα-helixtrans-67.5-35.7176.3172.90000111.7V375 R378 L403 Y405 L409 L410V375-V407 HydrophobicContact CG2-CG2 4.32Å; R378-V407 HydrophobicContact CB-CG1 4.33Å; R378-V407 HydrophobicContact CG-CG1 4.23Å; R378-V407 HydrophobicContact CG-CG2 4.23Å; L403-V407 HydrophobicContact CD1-CG2 4.1Å; L403-V407 HydrophobicContact CG-CG2 4.4Å; L403-V407 WeakPolarHBondContact O-CG2 3.15Å; L403-V407 PolarHBondContact O-N 3.1Å; Y405-V407 VanDerWaalsContact C-N 3.31Å; Y405-V407 PolarHBondContact O-N 3.24Å; V407-L409 PolarHBondContact O-N 3.34Å; V407-L410 HydrophobicContact CG1-CD1 4.36Å; V407-L410 WeakPolarHBondContact O-CB 3.38Å; V407-L410 PolarHBondContact O-N 3.48Å
408Q93.3Very high93.3Very high118 Ų11850.2 Ų50.255%0.55124%0.244SC*.Hα-helixtrans-64.3-25.6176.8-77.3172.5-22.100113.2R404 Y405 L410 P412R404-Q408 VanDerWaalsContact O-CG 3.28Å; R404-Q408 WeakPolarHBondContact O-CG 3.37Å; R404-Q408 PolarHBondContact O-N 3.02Å; R404-Q408 VanDerWaalsContact O-N 3.1Å; Y405-Q408 WeakPolarHBondContact O-CB 3.48Å; Y405-Q408 PolarHBondContact O-N 2.74Å; Q408-L410 VanDerWaalsContact C-N 3.3Å; Q408-L410 PolarHBondContact O-N 3.1Å; Q408-P412 WeakPolarHBondContact O-CD 3.47Å
409L95.6Very high93.4Very high4 Ų456.2 Ų56.22%0.02128%0.279CS..THydrogen-bonded Turntrans-73.5-18.5177.1-59.7175.8000113.2L394 I397 Y405 A406 V407 P412 A413 I433 N434L394-L409 HydrophobicContact CD2-CB 3.91Å; L394-L409 HydrophobicContact CD2-CD1 4.02Å; I397-L409 HydrophobicContact CD1-CD1 4.16Å; I397-L409 HydrophobicContact CG2-CD1 4.03Å; Y405-L409 HydrophobicContact CD1-CD1 4.29Å; Y405-L409 HydrophobicContact CE1-CD1 3.8Å; Y405-L409 HydrophobicContact CE1-CD2 4.41Å; Y405-L409 HydrophobicContact CE1-CG 4.34Å; Y405-L409 HydrophobicContact CE2-CD2 4.25Å; Y405-L409 PolarHBondContact O-N 3.42Å; A406-L409 PolarHBondContact O-N 3.03Å; V407-L409 PolarHBondContact O-N 3.34Å; L409-P412 WeakPolarHBondContact O-CD 3.49Å; L409-A413 WeakPolarHBondContact O-CB 3.36Å; L409-A413 PolarHBondContact O-N 2.95Å; L409-I433 HydrophobicContact CB-CG2 4.45Å; L409-I433 HydrophobicContact CD2-CG2 3.75Å; L409-N434 HydrophobicContact CD1-CB 4.37Å
410L94.9Very high93.5Very high2 Ų256.8 Ų56.81%0.0128%0.277CS..Hα-helixtrans-59.9-49.8-178.6-73.7172.2000112.4V375 R378 A379 I384 I386 L394 V407 Q408 A413 S414V375-L410 HydrophobicContact CG1-CD1 4.16Å; V375-L410 HydrophobicContact CG1-CD2 3.94Å; V375-L410 HydrophobicContact CG1-CG 4.32Å; R378-L410 HydrophobicContact CB-CD1 4.05Å; A379-L410 HydrophobicContact CB-CD1 4.31Å; A379-L410 HydrophobicContact CB-CD2 4.18Å; I384-L410 HydrophobicContact CD1-CB 4.06Å; I386-L410 HydrophobicContact CD1-CD2 3.8Å; L394-L410 HydrophobicContact CD1-CD2 3.55Å; L394-L410 HydrophobicContact CD1-CG 4.34Å; V407-L410 HydrophobicContact CG1-CD1 4.36Å; V407-L410 WeakPolarHBondContact O-CB 3.38Å; V407-L410 PolarHBondContact O-N 3.48Å; Q408-L410 VanDerWaalsContact C-N 3.3Å; Q408-L410 PolarHBondContact O-N 3.1Å; L410-A413 PolarHBondContact O-N 3.3Å; L410-S414 WeakPolarHBondContact O-CB 3.24Å; L410-S414 PolarHBondContact O-N 2.99Å
411T93.5Very high93.6Very high69 Ų6952.8 Ų52.842%0.42328%0.279SS..Hα-helixtrans-66.6-49.5-176-440000112E382 A413 S414 L415E382-T411 PolarHBondContact OE2-OG1 3.19Å; T411-A413 VanDerWaalsContact C-N 3.35Å; T411-A413 PolarHBondContact O-N 3.48Å; T411-S414 PolarHBondContact O-N 3.36Å; T411-L415 HydrophobicContact CG2-CD1 4.4Å; T411-L415 WeakPolarHBondContact O-CG 3.41Å; T411-L415 PolarHBondContact O-N 3.39Å
412P95.9Very high93.6Very high34 Ų3454.7 Ų54.722%0.22129%0.285CS..Hα-helixtrans-61.5-39.7175.5-22.234.2000112.9Q408 L409 S414 L415 L416 I433 F437Q408-P412 WeakPolarHBondContact O-CD 3.47Å; L409-P412 WeakPolarHBondContact O-CD 3.49Å; P412-S414 VanDerWaalsContact C-N 3.34Å; P412-S414 PolarHBondContact O-N 3.39Å; P412-L415 PolarHBondContact O-N 2.93Å; P412-L416 WeakPolarHBondContact O-CB 3.49Å; P412-L416 PolarHBondContact O-N 3.47Å; P412-I433 HydrophobicContact CB-CD1 3.9Å; P412-I433 HydrophobicContact CB-CG1 4.23Å; P412-I433 HydrophobicContact CB-CG2 3.78Å; P412-I433 HydrophobicContact CG-CG2 4.5Å; P412-F437 HydrophobicContact CB-CE2 4.17Å
413A96.2Very high93.6Very high1 Ų161.1 Ų61.11%0.00831%0.312CS..Hα-helixtrans-64.9-38.3177.500000112.1L409 L410 T411 L416 G417 V425 Q429 V430 I433L409-A413 WeakPolarHBondContact O-CB 3.36Å; L409-A413 PolarHBondContact O-N 2.95Å; L410-A413 PolarHBondContact O-N 3.3Å; T411-A413 VanDerWaalsContact C-N 3.35Å; T411-A413 PolarHBondContact O-N 3.48Å; A413-L416 PolarHBondContact O-N 3.45Å; A413-G417 PolarHBondContact O-N 2.86Å; A413-V425 HydrophobicContact CB-CG1 3.78Å; A413-Q429 HydrophobicContact CB-CB 4.45Å; A413-V430 HydrophobicContact CB-CG2 4.26Å; A413-I433 HydrophobicContact CB-CG1 4.26Å
414S95.3Very high93.8Very high12 Ų1262.4 Ų62.48%0.08432%0.321CS..Hα-helixtrans-64.8-41173.1-174.60000112.6L410 T411 P412 G417 R418L410-S414 WeakPolarHBondContact O-CB 3.24Å; L410-S414 PolarHBondContact O-N 2.99Å; T411-S414 PolarHBondContact O-N 3.36Å; P412-S414 VanDerWaalsContact C-N 3.34Å; P412-S414 PolarHBondContact O-N 3.39Å; S414-G417 PolarHBondContact O-N 3.41Å; S414-R418 WeakPolarHBondContact O-CG 3.46Å; S414-R418 PolarHBondContact O-N 3.29Å
415L95Very high94Very high96 Ų9654.9 Ų54.950%0.50329%0.293SS..Hα-helixtrans-65.5-43.8176.5-70173000111.7T411 P412 R418 V419T411-L415 HydrophobicContact CG2-CD1 4.4Å; T411-L415 WeakPolarHBondContact O-CG 3.41Å; T411-L415 PolarHBondContact O-N 3.39Å; P412-L415 PolarHBondContact O-N 2.93Å; L415-R418 PolarHBondContact O-N 3.46Å; L415-V419 WeakPolarHBondContact O-CG2 3.45Å; L415-V419 PolarHBondContact O-N 2.94Å
416L95.1Very high94.2Very high28 Ų2857.8 Ų57.815%0.14731%0.307CS..Hα-helixtrans-60.7-45.6175.7179.963.5000111.5P412 A413 R418 V419 Q420 Q429 E432 I433P412-L416 WeakPolarHBondContact O-CB 3.49Å; P412-L416 PolarHBondContact O-N 3.47Å; A413-L416 PolarHBondContact O-N 3.45Å; L416-R418 VanDerWaalsContact C-N 3.32Å; L416-R418 PolarHBondContact O-N 3.06Å; L416-V419 PolarHBondContact O-N 3.48Å; L416-V419 VanDerWaalsContact O-N 3.16Å; L416-Q420 HydrophobicContact CD1-CG 4.43Å; L416-Q420 WeakPolarHBondContact O-CG 3.47Å; L416-Q420 PolarHBondContact O-N 2.74Å; L416-Q429 HydrophobicContact CD2-CB 4.05Å; L416-Q429 HydrophobicContact CD2-CG 4.2Å; L416-Q429 HydrophobicContact CG-CB 4.49Å; L416-Q429 HydrophobicContact CG-CG 4.21Å; L416-E432 HydrophobicContact CD2-CB 3.94Å; L416-E432 HydrophobicContact CD2-CG 3.99Å; L416-E432 WeakPolarHBondContact CD2-OE2 3.24Å; L416-I433 HydrophobicContact CB-CD1 4.1Å; L416-I433 HydrophobicContact CB-CG1 4.32Å; L416-I433 HydrophobicContact CD2-CD1 3.86Å; L416-I433 HydrophobicContact CD2-CG1 3.78Å
417G93.3Very high94.3Very high1 Ų163.3 Ų63.31%0.0133%0.327CS..Hα-helixtrans-54.6-47.4174.200000112A413 S414 V419 Q420 G421 K422A413-G417 PolarHBondContact O-N 2.86Å; S414-G417 PolarHBondContact O-N 3.41Å; G417-V419 PolarHBondContact O-N 2.79Å; G417-Q420 CarbonylContact O-C 3.6Å; G417-Q420 WeakPolarHBondContact O-CA 3.42Å; G417-Q420 PolarHBondContact O-N 3.46Å; G417-Q420 VanDerWaalsContact O-N 3.1Å; G417-G421 PolarHBondContact O-N 3.37Å; G417-G421 VanDerWaalsContact O-N 3.09Å; G417-K422 CarbonylContact C-O 3.52Å; G417-K422 WeakPolarHBondContact O-CA 3.36Å; G417-K422 PolarHBondContact O-N 3.41Å; G417-K422 VanDerWaalsContact O-O 3.09Å
418R92.9Very high94.4Very high167 Ų16767.5 Ų67.563%0.6335%0.345SS*.Hα-helixtrans-61.3-40.5177.1-72.1177-177.4-179.92.8113S414 L415 L416 Q420 G421 K422S414-R418 WeakPolarHBondContact O-CG 3.46Å; S414-R418 PolarHBondContact O-N 3.29Å; L415-R418 PolarHBondContact O-N 3.46Å; L416-R418 VanDerWaalsContact C-N 3.32Å; L416-R418 PolarHBondContact O-N 3.06Å; R418-Q420 VanDerWaalsContact C-N 3.27Å; R418-Q420 PolarHBondContact O-N 3.1Å; R418-G421 PolarHBondContact O-N 3.47Å; R418-G421 VanDerWaalsContact O-N 3.1Å; R418-K422 PolarHBondContact N-O 2.69Å
419V93.9Very high94.5Very high128 Ų12861.9 Ų61.978%0.77632%0.319SS*.Hα-helixtrans-63.5-36.8175.5171.30000111L415 L416 G417 G421L415-V419 WeakPolarHBondContact O-CG2 3.45Å; L415-V419 PolarHBondContact O-N 2.94Å; L416-V419 PolarHBondContact O-N 3.48Å; L416-V419 VanDerWaalsContact O-N 3.16Å; G417-V419 PolarHBondContact O-N 2.79Å; V419-G421 PolarHBondContact O-N 3.1Å
420Q93.2Very high94.6Very high82 Ų8261.7 Ų61.738%0.38332%0.318SS..THydrogen-bonded Turntrans-79.42.2175.3-65.7175.1-5.400113.4L416 G417 R418 K422 E432L416-Q420 HydrophobicContact CD1-CG 4.43Å; L416-Q420 WeakPolarHBondContact O-CG 3.47Å; L416-Q420 PolarHBondContact O-N 2.74Å; G417-Q420 CarbonylContact O-C 3.6Å; G417-Q420 WeakPolarHBondContact O-CA 3.42Å; G417-Q420 PolarHBondContact O-N 3.46Å; G417-Q420 VanDerWaalsContact O-N 3.1Å; R418-Q420 VanDerWaalsContact C-N 3.27Å; R418-Q420 PolarHBondContact O-N 3.1Å; Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; Q420-E432 PolarHBondContact NE2-OE2 3.09Å; Q420-E432 VanDerWaalsContact NE2-OE2 3.14Å
421G92.3Very high94.6Very high67 Ų6764.8 Ų64.869%0.69133%0.333SS*.THydrogen-bonded Turntrans74.613.5-177.900000114.8G417 R418 V419G417-G421 PolarHBondContact O-N 3.37Å; G417-G421 VanDerWaalsContact O-N 3.09Å; R418-G421 PolarHBondContact O-N 3.47Å; R418-G421 VanDerWaalsContact O-N 3.1Å; V419-G421 PolarHBondContact O-N 3.1Å
422K91.4Very high94.7Very high64 Ų6465.5 Ų65.528%0.27833%0.331SS..  trans-94.1130.3175-65-174.2177.8-170.80110.5G417 R418 Q420 E426 E428G417-K422 CarbonylContact C-O 3.52Å; G417-K422 WeakPolarHBondContact O-CA 3.36Å; G417-K422 PolarHBondContact O-N 3.41Å; G417-K422 VanDerWaalsContact O-O 3.09Å; R418-K422 PolarHBondContact N-O 2.69Å; Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; K422-E426 IonicContact NZ-OE2 2.86Å; K422-E426 PolarHBondContact NZ-OE2 2.85Å; K422-E428 IonicContact NZ-OE2 2.7Å; K422-E428 PolarHBondContact NZ-OE2 3.14Å
423E90.8Very high94.7Very high183 Ų18364.3 Ų64.386%0.85532%0.323SS*.SBendtrans-83.6-25.4175.2-66.3-170.216200113.1
424T95.1Very high94.6Very high51 Ų5166.6 Ų66.631%0.31334%0.335SS..EExtended strand (participates in β ladder)trans-109134.3-179.7-62.80000109.9S385 E426S385-T424 PolarHBondContact OG-OG1 2.91Å; T424-E426 PolarHBondContact O-N 3.24Å
425V96.3Very high94.5Very high2 Ų272.9 Ų72.91%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-73.5119.2174.3179.40000109.1I384 S385 I386 S387 A413 Q429 V430I384-V425 HydrophobicContact CG2-CG2 3.86Å; S385-V425 PolarHBondContact O-N 3.11Å; I386-V425 HydrophobicContact CB-CB 4.28Å; I386-V425 HydrophobicContact CD1-CG1 4.35Å; I386-V425 HydrophobicContact CG1-CB 4.07Å; I386-V425 HydrophobicContact CG1-CG1 4.31Å; S387-V425 PolarHBondContact N-O 2.98Å; A413-V425 HydrophobicContact CB-CG1 3.78Å; V425-Q429 HydrophobicContact CG1-CB 4.47Å; V425-V430 HydrophobicContact CG1-CG2 3.84Å
426E96.6Very high94.5Very high80 Ų8073.7 Ų73.737%0.37437%0.367SS..  trans-103.9175.3174-59.5179164.100110.5K422 T424 E428 Q429 V430K422-E426 IonicContact NZ-OE2 2.86Å; K422-E426 PolarHBondContact NZ-OE2 2.85Å; T424-E426 PolarHBondContact O-N 3.24Å; E426-E428 VanDerWaalsContact C-N 3.28Å; E426-E428 PolarHBondContact O-N 3.18Å; E426-Q429 VanDerWaalsContact CB-OE1 3.3Å; E426-Q429 PolarHBondContact O-N 3.38Å; E426-Q429 PolarHBondContact O-OE1 2.84Å; E426-V430 PolarHBondContact O-N 2.85Å
427R96.1Very high94.5Very high115 Ų11577.5 Ų77.543%0.43438%0.383SS..Hα-helixtrans-60.1-39.3-176.5178177.3169.3171.4-3.3112.1H393 Q429 V430 E431H393-R427 HydrophobicContact CB-CG 4.43Å; R427-Q429 PolarHBondContact O-N 2.68Å; R427-V430 WeakPolarHBondContact O-CB 3.44Å; R427-V430 PolarHBondContact O-N 3.42Å; R427-V430 VanDerWaalsContact O-N 3.1Å; R427-E431 HydrophobicContact CG-CG 4.31Å; R427-E431 IonicContact CZ-OE1 3.63Å; R427-E431 VanDerWaalsContact CZ-OE1 3.24Å; R427-E431 IonicContact NE-OE1 3.06Å; R427-E431 PolarHBondContact NE-OE1 3.16Å; R427-E431 IonicContact NH2-OE1 2.85Å; R427-E431 PolarHBondContact NH2-OE1 2.97Å; R427-E431 PolarHBondContact O-N 2.95Å
428E95.7Very high94.5Very high113 Ų11384.2 Ų84.253%0.52841%0.409SS..Hα-helixtrans-55.6-46.7-179.8-61.9171.1166.900112.1K422 E426 V430 E431 E432K422-E428 IonicContact NZ-OE2 2.7Å; K422-E428 PolarHBondContact NZ-OE2 3.14Å; E426-E428 VanDerWaalsContact C-N 3.28Å; E426-E428 PolarHBondContact O-N 3.18Å; E428-V430 VanDerWaalsContact C-N 3.3Å; E428-V430 PolarHBondContact O-N 3.38Å; E428-E431 PolarHBondContact O-N 3.44Å; E428-E432 PolarHBondContact O-N 2.96Å
429Q95.8Very high94.5Very high0 Ų077 Ų770%038%0.383CS..Hα-helixtrans-66.4-35179.6-67.873.143.100111.4A413 L416 V425 E426 R427 I433A413-Q429 HydrophobicContact CB-CB 4.45Å; L416-Q429 HydrophobicContact CD2-CB 4.05Å; L416-Q429 HydrophobicContact CD2-CG 4.2Å; L416-Q429 HydrophobicContact CG-CB 4.49Å; L416-Q429 HydrophobicContact CG-CG 4.21Å; V425-Q429 HydrophobicContact CG1-CB 4.47Å; E426-Q429 VanDerWaalsContact CB-OE1 3.3Å; E426-Q429 PolarHBondContact O-N 3.38Å; E426-Q429 PolarHBondContact O-OE1 2.84Å; R427-Q429 PolarHBondContact O-N 2.68Å; Q429-I433 WeakPolarHBondContact O-CB 3.39Å; Q429-I433 WeakPolarHBondContact O-CG1 3.21Å; Q429-I433 PolarHBondContact O-N 3.4Å
430V96.4Very high94.3Very high0 Ų075 Ų750%038%0.379CS..Hα-helixtrans-67.5-43176.7178.30000110.8A390 L394 I397 A413 V425 E426 R427 E428 N434A390-V430 HydrophobicContact CB-CG2 4.14Å; L394-V430 HydrophobicContact CD1-CG2 4.37Å; L394-V430 HydrophobicContact CD2-CG1 3.48Å; L394-V430 VanDerWaalsContact CD2-CG1 3.48Å; L394-V430 HydrophobicContact CD2-CG2 4.35Å; L394-V430 HydrophobicContact CG-CG1 3.84Å; L394-V430 HydrophobicContact CG-CG2 4.17Å; I397-V430 HydrophobicContact CD1-CG1 3.84Å; A413-V430 HydrophobicContact CB-CG2 4.26Å; V425-V430 HydrophobicContact CG1-CG2 3.84Å; E426-V430 PolarHBondContact O-N 2.85Å; R427-V430 WeakPolarHBondContact O-CB 3.44Å; R427-V430 PolarHBondContact O-N 3.42Å; R427-V430 VanDerWaalsContact O-N 3.1Å; E428-V430 VanDerWaalsContact C-N 3.3Å; E428-V430 PolarHBondContact O-N 3.38Å; V430-N434 VanDerWaalsContact O-CB 3.24Å; V430-N434 WeakPolarHBondContact O-CB 3.36Å; V430-N434 PolarHBondContact O-N 3.24Å
431E95.7Very high94.2Very high68 Ų6877.3 Ų77.332%0.31839%0.388SS..Hα-helixtrans-62-49.2177.5-75178.1168.300110.9H393 R427 E428 I433 N434 E435H393-E431 WeakPolarHBondContact NE2-CG 3.48Å; R427-E431 HydrophobicContact CG-CG 4.31Å; R427-E431 IonicContact CZ-OE1 3.63Å; R427-E431 VanDerWaalsContact CZ-OE1 3.24Å; R427-E431 IonicContact NE-OE1 3.06Å; R427-E431 PolarHBondContact NE-OE1 3.16Å; R427-E431 IonicContact NH2-OE1 2.85Å; R427-E431 PolarHBondContact NH2-OE1 2.97Å; R427-E431 PolarHBondContact O-N 2.95Å; E428-E431 PolarHBondContact O-N 3.44Å; E431-I433 PolarHBondContact O-N 3.29Å; E431-N434 PolarHBondContact O-N 3.14Å; E431-N434 VanDerWaalsContact O-N 3.16Å; E431-E435 PolarHBondContact O-N 3.38Å; E431-E435 VanDerWaalsContact O-N 3.11Å
432E95.8Very high94.1Very high83 Ų8376.6 Ų76.639%0.38837%0.373SS..Hα-helixtrans-59.4-46.6178.5-171.1178.3164.900111.8L416 Q420 E428 N434 E435 L436L416-E432 HydrophobicContact CD2-CB 3.94Å; L416-E432 HydrophobicContact CD2-CG 3.99Å; L416-E432 WeakPolarHBondContact CD2-OE2 3.24Å; Q420-E432 PolarHBondContact NE2-OE2 3.09Å; Q420-E432 VanDerWaalsContact NE2-OE2 3.14Å; E428-E432 PolarHBondContact O-N 2.96Å; E432-N434 VanDerWaalsContact C-N 3.33Å; E432-N434 PolarHBondContact O-N 2.95Å; E432-E435 PolarHBondContact O-N 3.01Å; E432-L436 WeakPolarHBondContact O-CG 3.49Å; E432-L436 PolarHBondContact O-N 3.26Å
433I96.1Very high94.1Very high10 Ų1076.6 Ų76.65%0.05138%0.381CS..Hα-helixtrans-64.3-37.7177-70.5-59000111.8L409 P412 A413 L416 Q429 E431 E435 L436 F437L409-I433 HydrophobicContact CB-CG2 4.45Å; L409-I433 HydrophobicContact CD2-CG2 3.75Å; P412-I433 HydrophobicContact CB-CD1 3.9Å; P412-I433 HydrophobicContact CB-CG1 4.23Å; P412-I433 HydrophobicContact CB-CG2 3.78Å; P412-I433 HydrophobicContact CG-CG2 4.5Å; A413-I433 HydrophobicContact CB-CG1 4.26Å; L416-I433 HydrophobicContact CB-CD1 4.1Å; L416-I433 HydrophobicContact CB-CG1 4.32Å; L416-I433 HydrophobicContact CD2-CD1 3.86Å; L416-I433 HydrophobicContact CD2-CG1 3.78Å; Q429-I433 WeakPolarHBondContact O-CB 3.39Å; Q429-I433 WeakPolarHBondContact O-CG1 3.21Å; Q429-I433 PolarHBondContact O-N 3.4Å; E431-I433 PolarHBondContact O-N 3.29Å; I433-E435 PolarHBondContact O-N 3.06Å; I433-L436 HydrophobicContact CD1-CD1 4.38Å; I433-L436 PolarHBondContact O-N 3.48Å; I433-F437 HydrophobicContact CD1-CE2 4.25Å; I433-F437 HydrophobicContact CG2-CD2 3.79Å; I433-F437 HydrophobicContact CG2-CE2 4.28Å; I433-F437 WeakPolarHBondContact O-CD2 3.41Å; I433-F437 PolarHBondContact O-N 2.88Å
434N94.3Very high94.1Very high49 Ų4970.5 Ų70.526%0.26236%0.361SS..Hα-helixtrans-71-18.9179.4-174.666.7000113.2I397 Y405 L409 V430 E431 E432 F437I397-N434 HydrophobicContact CD1-CB 4.26Å; Y405-N434 WeakPolarHBondContact CE1-OD1 3.26Å; Y405-N434 PolarHBondContact OH-OD1 3.16Å; L409-N434 HydrophobicContact CD1-CB 4.37Å; V430-N434 VanDerWaalsContact O-CB 3.24Å; V430-N434 WeakPolarHBondContact O-CB 3.36Å; V430-N434 PolarHBondContact O-N 3.24Å; E431-N434 PolarHBondContact O-N 3.14Å; E431-N434 VanDerWaalsContact O-N 3.16Å; E432-N434 VanDerWaalsContact C-N 3.33Å; E432-N434 PolarHBondContact O-N 2.95Å; N434-F437 VanDerWaalsContact O-O 3.1Å
435E93.8Very high94Very high143 Ų14374.5 Ų74.567%0.66837%0.374SS*.Hα-helixtrans-79.4-32.2169.1-69.1-174.1171.100112.6E431 E432 I433 Y438E431-E435 PolarHBondContact O-N 3.38Å; E431-E435 VanDerWaalsContact O-N 3.11Å; E432-E435 PolarHBondContact O-N 3.01Å; I433-E435 PolarHBondContact O-N 3.06Å; E435-Y438 WeakPolarHBondContact O-CE2 3.49Å
436L94.7Very high93.7Very high113 Ų11377.5 Ų77.559%0.59239%0.39SS*.Hα-helixtrans-78.8-40.1-179.2-65.3176000112.7E432 I433E432-L436 WeakPolarHBondContact O-CG 3.49Å; E432-L436 PolarHBondContact O-N 3.26Å; I433-L436 HydrophobicContact CD1-CD1 4.38Å; I433-L436 PolarHBondContact O-N 3.48Å
437F95.3Very high93.5Very high108 Ų10877.9 Ų77.947%0.47439%0.394SS..SBendtrans-106.4123.8-179.9-62.8-82.1000109.2Y405 P412 I433 N434Y405-F437 PolarHBondContact OH-O 2.94Å; P412-F437 HydrophobicContact CB-CE2 4.17Å; I433-F437 HydrophobicContact CD1-CE2 4.25Å; I433-F437 HydrophobicContact CG2-CD2 3.79Å; I433-F437 HydrophobicContact CG2-CE2 4.28Å; I433-F437 WeakPolarHBondContact O-CD2 3.41Å; I433-F437 PolarHBondContact O-N 2.88Å; N434-F437 VanDerWaalsContact O-O 3.1Å
438Y92.5Very high93.3Very high143 Ų14379.2 Ų79.256%0.56141%0.405SS*.  trans-95.5141.2-179.7-71.4-97.6000111.3E435 I446E435-Y438 WeakPolarHBondContact O-CE2 3.49Å; Y438-I446 HydrophobicContact CD1-CD1 3.74Å; Y438-I446 HydrophobicContact CE1-CD1 3.54Å
439D93.4Very high93.2Very high16 Ų1679.1 Ų79.19%0.08641%0.408CS..  trans-73.9162.1166.78394.2000111.5T401 Y405 K441 S442 S443T401-D439 HydrophobicContact CG2-CB 3.8Å; T401-D439 VanDerWaalsContact CG2-CG 3.47Å; Y405-D439 HydrophobicContact CD1-CB 4.02Å; Y405-D439 HydrophobicContact CD2-CB 3.89Å; Y405-D439 HydrophobicContact CE1-CB 3.91Å; Y405-D439 HydrophobicContact CE2-CB 3.78Å; Y405-D439 HydrophobicContact CG-CB 3.99Å; D439-K441 VanDerWaalsContact C-N 3.29Å; D439-K441 PolarHBondContact O-N 2.57Å; D439-K441 WeakPolarHBondContact OD1-CA 3.46Å; D439-K441 VanDerWaalsContact OD1-CB 3.25Å; D439-K441 WeakPolarHBondContact OD1-CB 3.18Å; D439-K441 PolarHBondContact OD1-N 3Å; D439-S442 PolarHBondContact O-N 3.28Å; D439-S442 PolarHBondContact OD1-N 3.41Å; D439-S442 WeakPolarHBondContact OD2-CB 3.42Å; D439-S442 PolarHBondContact OD2-OG 3.24Å; D439-S443 WeakPolarHBondContact O-CB 3.25Å; D439-S443 PolarHBondContact O-N 3.11Å
440A89.9Confident93.1Very high84 Ų8482.6 Ų82.669%0.69442%0.424SS*.Hα-helixtrans-59.4-35.4-17600000113.7A444A440-A444 VanDerWaalsContact O-CB 3.26Å; A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 2.99Å
441K89.6Confident92.7Very high132 Ų13288.1 Ų88.157%0.57445%0.45SS*.Hα-helixtrans-71.3-45.5179.9-60.8177.2-175.8169.40110.6K400 D439 A444 K445K400-K441 PolarHBondContact O-NZ 3.25Å; K400-K441 VanDerWaalsContact O-NZ 3.11Å; D439-K441 VanDerWaalsContact C-N 3.29Å; D439-K441 PolarHBondContact O-N 2.57Å; D439-K441 WeakPolarHBondContact OD1-CA 3.46Å; D439-K441 VanDerWaalsContact OD1-CB 3.25Å; D439-K441 WeakPolarHBondContact OD1-CB 3.18Å; D439-K441 PolarHBondContact OD1-N 3Å; K441-A444 PolarHBondContact O-N 2.91Å; K441-K445 WeakPolarHBondContact O-CB 3.4Å; K441-K445 PolarHBondContact O-N 3.27Å
442S90.3Very high92.5Very high52 Ų5292.1 Ų92.136%0.36447%0.468SS..Hα-helixtrans-64.1-42.9178-60.20000111.5D439 K445 I446D439-S442 PolarHBondContact O-N 3.28Å; D439-S442 PolarHBondContact OD1-N 3.41Å; D439-S442 WeakPolarHBondContact OD2-CB 3.42Å; D439-S442 PolarHBondContact OD2-OG 3.24Å; S442-K445 PolarHBondContact O-N 3.38Å; S442-I446 WeakPolarHBondContact O-CG1 3.48Å; S442-I446 PolarHBondContact O-N 3.06Å
443S92.6Very high92.3Very high64 Ų6494.6 Ų94.645%0.44848%0.478SS..Hα-helixtrans-60.8-46.9174.8179.30000112.3D439 K445 I446 L447D439-S443 WeakPolarHBondContact O-CB 3.25Å; D439-S443 PolarHBondContact O-N 3.11Å; S443-K445 VanDerWaalsContact C-N 3.3Å; S443-K445 PolarHBondContact O-N 3.31Å; S443-I446 PolarHBondContact O-N 2.98Å; S443-L447 PolarHBondContact O-N 2.91Å
444A91.1Very high91.9Very high54 Ų5499.1 Ų99.145%0.44650%0.498SS..Hα-helixtrans-61.7-38.2177.600000112.4A440 K441 L447 Q448A440-A444 VanDerWaalsContact O-CB 3.26Å; A440-A444 WeakPolarHBondContact O-CB 3.46Å; A440-A444 PolarHBondContact O-N 2.99Å; K441-A444 PolarHBondContact O-N 2.91Å; A444-L447 PolarHBondContact O-N 3.18Å; A444-Q448 WeakPolarHBondContact O-CB 3.36Å; A444-Q448 PolarHBondContact O-N 3.41Å
445K91.8Very high91.5Very high136 Ų136106 Ų10659%0.59153%0.53SS*.Hα-helixtrans-63.2-46.4175.8-172.1-178.4177.6-174.50111.7K441 S442 S443 L447 Q448 D449K441-K445 WeakPolarHBondContact O-CB 3.4Å; K441-K445 PolarHBondContact O-N 3.27Å; S442-K445 PolarHBondContact O-N 3.38Å; S443-K445 VanDerWaalsContact C-N 3.3Å; S443-K445 PolarHBondContact O-N 3.31Å; K445-L447 VanDerWaalsContact C-N 3.3Å; K445-L447 PolarHBondContact O-N 2.95Å; K445-Q448 PolarHBondContact O-N 3.37Å; K445-D449 VanDerWaalsContact O-CG 3.3Å; K445-D449 PolarHBondContact O-N 3.27Å
446I91.1Very high90.7Very high64 Ų64111.1 Ų111.133%0.32855%0.55SS.*Hα-helixtrans-60.2-43.1176.5-65.9164.4000110.7Y438 S442 S443 Q448 D449 Q450Y438-I446 HydrophobicContact CD1-CD1 3.74Å; Y438-I446 HydrophobicContact CE1-CD1 3.54Å; S442-I446 WeakPolarHBondContact O-CG1 3.48Å; S442-I446 PolarHBondContact O-N 3.06Å; S443-I446 PolarHBondContact O-N 2.98Å; I446-Q448 VanDerWaalsContact C-N 3.31Å; I446-Q448 PolarHBondContact O-N 3.41Å; I446-D449 PolarHBondContact O-N 2.98Å; I446-Q450 WeakPolarHBondContact O-CB 3.38Å; I446-Q450 WeakPolarHBondContact O-CG 3.34Å; I446-Q450 PolarHBondContact O-N 2.92Å
447L91.9Very high90.5Very high88 Ų88111 Ų11146%0.46155%0.548SS..Hα-helixtrans-61.6-40.8177.5-171.374.5000111.6S443 A444 K445 Q450 Q451 F454S443-L447 PolarHBondContact O-N 2.91Å; A444-L447 PolarHBondContact O-N 3.18Å; K445-L447 VanDerWaalsContact C-N 3.3Å; K445-L447 PolarHBondContact O-N 2.95Å; L447-Q450 CarbonylContact O-C 3.58Å; L447-Q451 VanDerWaalsContact O-CA 3.25Å; L447-Q451 WeakPolarHBondContact O-CA 3.25Å; L447-Q451 PolarHBondContact O-N 3.37Å; L447-F454 HydrophobicContact CD1-CB 4.21Å; L447-F454 HydrophobicContact CD1-CD1 3.76Å; L447-F454 HydrophobicContact CD1-CD2 3.54Å; L447-F454 HydrophobicContact CD1-CE1 3.96Å; L447-F454 HydrophobicContact CD1-CE2 3.76Å; L447-F454 HydrophobicContact CD1-CG 3.55Å; L447-F454 HydrophobicContact CD1-CZ 3.96Å
448Q91.8Very high90.3Very high144 Ų144111.2 Ų111.267%0.67355%0.552SS**Hα-helixtrans-66.3-46.2176.8-173.51763.600111.7A444 K445 I446 Q450 Q451A444-Q448 WeakPolarHBondContact O-CB 3.36Å; A444-Q448 PolarHBondContact O-N 3.41Å; K445-Q448 PolarHBondContact O-N 3.37Å; I446-Q448 VanDerWaalsContact C-N 3.31Å; I446-Q448 PolarHBondContact O-N 3.41Å; Q448-Q450 VanDerWaalsContact C-N 3.27Å; Q448-Q450 PolarHBondContact O-N 3.38Å; Q448-Q451 WeakPolarHBondContact O-CB 3.49Å; Q448-Q451 PolarHBondContact O-N 3.45Å
449D93Very high90.2Very high110 Ų110109.4 Ų109.459%0.58855%0.552SS**Hα-helixtrans-66.3-31.1180-67.3-19.6000111.8K445 I446K445-D449 VanDerWaalsContact O-CG 3.3Å; K445-D449 PolarHBondContact O-N 3.27Å; I446-D449 PolarHBondContact O-N 2.98Å
450Q93.3Very high90Very high74 Ų74114.9 Ų114.935%0.34658%0.579SS.*THydrogen-bonded Turntrans-107.721.7-178.6-58.8-169.418.900113.5I446 L447 Q448 H452 K453 F454I446-Q450 WeakPolarHBondContact O-CB 3.38Å; I446-Q450 WeakPolarHBondContact O-CG 3.34Å; I446-Q450 PolarHBondContact O-N 2.92Å; L447-Q450 CarbonylContact O-C 3.58Å; Q448-Q450 VanDerWaalsContact C-N 3.27Å; Q448-Q450 PolarHBondContact O-N 3.38Å; Q450-H452 PolarHBondContact O-N 2.86Å; Q450-K453 HydrophobicContact CB-CD 4.39Å; Q450-K453 WeakPolarHBondContact O-CB 3.35Å; Q450-K453 PolarHBondContact O-N 2.96Å; Q450-F454 HydrophobicContact CB-CD2 4.49Å; Q450-F454 HydrophobicContact CB-CE2 3.97Å; Q450-F454 WeakPolarHBondContact O-CD2 3.46Å
451Q89.3Confident90Very high115 Ų115116.8 Ų116.854%0.53757%0.572SS.*G310 helixtrans-51.3-34.2-172.1-171-179.41700113.6L447 Q448 K453 F454L447-Q451 VanDerWaalsContact O-CA 3.25Å; L447-Q451 WeakPolarHBondContact O-CA 3.25Å; L447-Q451 PolarHBondContact O-N 3.37Å; Q448-Q451 WeakPolarHBondContact O-CB 3.49Å; Q448-Q451 PolarHBondContact O-N 3.45Å; Q451-K453 PolarHBondContact O-N 3.18Å; Q451-F454 PolarHBondContact O-N 3.2Å
452H90.8Very high90Very high152 Ų152115.8 Ų115.870%0.70457%0.572SS**G310 helixtrans-62.9-19178.365.2-83.3000114.7Q450Q450-H452 PolarHBondContact O-N 2.86Å
453K91.8Very high90Very high136 Ų136120.4 Ų120.459%0.59159%0.587SS**G310 helixtrans-90.5-12.6178.7-58-173.2-178173.40113.2Q450 Q451Q450-K453 HydrophobicContact CB-CD 4.39Å; Q450-K453 WeakPolarHBondContact O-CB 3.35Å; Q450-K453 PolarHBondContact O-N 2.96Å; Q451-K453 PolarHBondContact O-N 3.18Å
454F88.6Confident89.8Confident105 Ų105124.7 Ų124.746%0.46160%0.597SS.*SBendtrans-107.1141.7-175.7-65.5-85.7000110.6L447 Q450 Q451L447-F454 HydrophobicContact CD1-CB 4.21Å; L447-F454 HydrophobicContact CD1-CD1 3.76Å; L447-F454 HydrophobicContact CD1-CD2 3.54Å; L447-F454 HydrophobicContact CD1-CE1 3.96Å; L447-F454 HydrophobicContact CD1-CE2 3.76Å; L447-F454 HydrophobicContact CD1-CG 3.55Å; L447-F454 HydrophobicContact CD1-CZ 3.96Å; Q450-F454 HydrophobicContact CB-CD2 4.49Å; Q450-F454 HydrophobicContact CB-CE2 3.97Å; Q450-F454 WeakPolarHBondContact O-CD2 3.46Å; Q451-F454 PolarHBondContact O-N 3.2Å
455M85.9Confident89.7Confident192 Ų192130.6 Ų130.695%0.94661%0.61SS**  trans-67.8142.9171.7-69.5-171-79.200109.7
456K77.3Confident89.5Confident251 Ų251130.1 Ų130.1100%1.09161%0.611SS**  trans-81.90178-74.9-172.9176.9-179.50112

Retrieved 456 of 456 residues in 704.2 ms (Link to these results)

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