A0A087XCM1_POEFO Loading...

Midnolin

AlphaFold DB , UniProt , Accession A0A087XCM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 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
1M34.2Very low40.3Very low232 Ų232150 Ų150100%1.14383%0.831SS**  01120-73-178.7174.500109.6
2D37.2Very low40.5Very low125 Ų125145.3 Ų145.367%0.66882%0.816SS**  cis-169.8150.6-45.5-113.5-108000108.1
3Q39.3Very low41.2Very low170 Ų170153.2 Ų153.279%0.79483%0.826SS**  trans41.6117.5152.3-63.4169.569.200119.7
4H34.9Very low40.9Very low192 Ų192147.4 Ų147.489%0.88982%0.819SS**  trans-119.4120.7150-145.7-70.5000109.8
5P54.7Low41.3Very low95 Ų95147.5 Ų147.562%0.61783%0.826SS**  trans-102.1-177.5-176.639.3-35.8000113.3
6S37.5Very low41.5Very low121 Ų121145.3 Ų145.385%0.84682%0.823SS**  trans71.1149.2166.4-730000117.2
7A36.3Very low41.8Very low98 Ų98143.2 Ų143.281%0.8182%0.819SS**  cis-156.1177.2-11.500000111.2
8R45.8Very low41.7Very low246 Ų246141.9 Ų141.993%0.92882%0.819SS**  trans-74.7144.3179.1-55.4165175.2165.8-4.7112.3
9S35.3Very low41.7Very low121 Ų121143.7 Ų143.785%0.84682%0.819SS**  -172.1180110.3-142.40000112.8
10C48.3Very low42.1Very low108 Ų108141.1 Ų141.173%0.7382%0.816SS**  trans-121.4150.3-161.460.50000115.2
11T39.6Very low42.6Very low142 Ų142140.4 Ų140.487%0.87181%0.814SS**  trans169.1152.2151.733.30000108.2
12S42.4Very low43.7Very low93 Ų93134.6 Ų134.665%0.6579%0.794SS**  cis-163166.3-22.969.90000109.4
13R49.5Very low44.8Very low249 Ų249133.3 Ų133.394%0.9480%0.8SS**  trans57.7112.5163.4-65.5180168.2-147.1-4.5117.9
14G36.8Very low46.3Very low71 Ų71131.9 Ų131.973%0.73279%0.794SS**  trans-177.752.7173.700000113.2S16G14-S16 PolarHBondContact O-N 3.24Å
15T47Very low48.6Very low150 Ų150125.9 Ų125.992%0.9277%0.772SS**  trans-75.787.9-179.248.50000111.5
16S45.7Very low50.1Low111 Ų111124.8 Ų124.878%0.77677%0.766SS**  trans-76.5120.416242.80000109.6G14 C18G14-S16 PolarHBondContact O-N 3.24Å; S16-C18 PolarHBondContact O-N 3.04Å; S16-C18 VanDerWaalsContact O-N 3.12Å
17S45.2Very low52.8Low110 Ų110119.2 Ų119.277%0.76973%0.727SS**  trans-67.1108.1174.3-172.70000109.6E19S17-E19 PolarHBondContact O-N 3.12Å
18C40.3Very low55.5Low121 Ų121116.8 Ų116.882%0.81870%0.7SS**  trans-79.495.6163.542.30000108.2S16 A20S16-C18 PolarHBondContact O-N 3.04Å; S16-C18 VanDerWaalsContact O-N 3.12Å; C18-A20 PolarHBondContact O-N 3.21Å
19E43.1Very low57.8Low175 Ų175105.1 Ų105.182%0.81866%0.656SS**  trans-62.8103.3178.1-163.8162.8121.800109.6S17 V21S17-E19 PolarHBondContact O-N 3.12Å; E19-V21 PolarHBondContact O-N 2.92Å
20A49.2Very low60.7Low92 Ų92104 Ų10476%0.7663%0.634SS**  trans-73.690.8-17500000109.7C18C18-A20 PolarHBondContact O-N 3.21Å
21V53.2Low62.9Low127 Ų12798.9 Ų98.977%0.7760%0.6SS**  trans-46.7123.9167.2179.70000107.9E19 A23E19-V21 PolarHBondContact O-N 2.92Å; V21-A23 PolarHBondContact O-N 2.95Å
22P56.1Low65.5Low110 Ų11093.8 Ų93.871%0.71457%0.566SS**  trans-58.7127.8-178.323.6-33.2000109.1E24P22-E24 PolarHBondContact O-N 2.92Å
23A61Low67.8Low98 Ų9890 Ų9081%0.8154%0.539SS*.  trans-67.799.9178.800000109.1V21V21-A23 PolarHBondContact O-N 2.95Å
24E69.7Low69.5Low140 Ų14082.5 Ų82.565%0.65452%0.521SS*.  trans-43.8122.8173.3-93.5-69.8127.700110.1P22 S26P22-E24 PolarHBondContact O-N 2.92Å; E24-S26 PolarHBondContact O-N 3.43Å; E24-S26 VanDerWaalsContact O-N 3.14Å
25P83.1Confident71.6Confident65 Ų6583.4 Ų83.442%0.42251%0.513SS..  trans-64.5121.5-17325.9-33.6000109.5Q45P25-Q45 HydrophobicContact CB-CB 4.36Å; P25-Q45 HydrophobicContact CG-CB 4.22Å; P25-Q45 WeakPolarHBondContact O-CB 3.25Å; P25-Q45 PolarHBondContact O-N 3.11Å
26S87.9Confident73.3Confident72 Ų7279 Ų7950%0.50350%0.497SS..EExtended strand (participates in β ladder)trans-108149.6178.862.20000111.5E24 L43E24-S26 PolarHBondContact O-N 3.43Å; E24-S26 VanDerWaalsContact O-N 3.14Å; S26-L43 CarbonylContact C-O 3.59Å; S26-L43 WeakPolarHBondContact CA-O 3.46Å; S26-L43 WeakPolarHBondContact CB-O 3.41Å
27M92.9Very high75.2Confident4 Ų476.9 Ų76.92%0.0248%0.48CS..EExtended strand (participates in β ladder)trans-125.5145.7173.660.4167.6178.800110.3L29 S42 L43 L81 D88M27-L29 HydrophobicContact SD-CD2 4.17Å; M27-S42 WeakPolarHBondContact O-CA 3.26Å; M27-L43 HydrophobicContact CE-CB 4.48Å; M27-L43 HydrophobicContact CE-CD1 4.46Å; M27-L43 HydrophobicContact CG-CB 4.47Å; M27-L43 PolarHBondContact N-O 2.88Å; M27-L43 PolarHBondContact O-N 3.13Å; M27-L81 HydrophobicContact CE-CB 3.86Å; M27-L81 HydrophobicContact CE-CD1 3.55Å; M27-L81 HydrophobicContact CE-CG 4.35Å; M27-D88 HydrophobicContact CB-CB 3.9Å
28N93Very high77.4Confident48 Ų4880.7 Ų80.726%0.25748%0.477SS..EExtended strand (participates in β ladder)trans-110.9124.1-176.3-52.5-73.5000109.4E40 S42 D88 G89N28-E40 HydrophobicContact CB-CG 4.18Å; N28-S42 WeakPolarHBondContact OD1-CB 3.43Å; N28-S42 PolarHBondContact OD1-OG 3.13Å; N28-D88 PolarHBondContact N-OD1 3.4Å; N28-D88 PolarHBondContact ND2-OD1 2.86Å; N28-D88 VanDerWaalsContact ND2-OD1 3.12Å; N28-G89 PolarHBondContact O-N 3.46Å
29L95.3Very high79.9Confident0 Ų077.5 Ų77.50%045%0.45CS..EExtended strand (participates in β ladder)trans-112.1134.2-176.4-55.8-173000111.5M27 I31 E40 L41 L43 L52 L81 I86 S87 L92M27-L29 HydrophobicContact SD-CD2 4.17Å; L29-I31 HydrophobicContact CB-CD1 4.08Å; L29-I31 PolarHBondContact O-N 2.85Å; L29-E40 WeakPolarHBondContact O-CA 3.49Å; L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 2.96Å; L29-L43 HydrophobicContact CD1-CD1 3.49Å; L29-L43 VanDerWaalsContact CD1-CD1 3.49Å; L29-L43 HydrophobicContact CG-CD1 4.05Å; L29-L52 HydrophobicContact CD1-CD2 4.2Å; L29-L81 HydrophobicContact CD1-CD1 4.29Å; L29-I86 HydrophobicContact CD1-CG2 4.03Å; L29-I86 HydrophobicContact CD2-CG2 3.7Å; L29-S87 VanDerWaalsContact CD2-O 3.32Å; L29-S87 WeakPolarHBondContact CD2-O 3.39Å; L29-L92 HydrophobicContact CD1-CD1 3.9Å
30Y95.2Very high82.3Confident99 Ų9974.1 Ų74.139%0.38843%0.434SS..EExtended strand (participates in β ladder)trans-92.493.2-179.3-67.4-62.8000111.8H32 E40 S90 L92Y30-H32 PolarHBondContact O-ND1 2.67Å; Y30-E40 HydrophobicContact CD1-CB 4.19Å; Y30-E40 HydrophobicContact CD1-CG 4.16Å; Y30-E40 HydrophobicContact CE1-CB 4.04Å; Y30-E40 HydrophobicContact CE1-CG 3.71Å; Y30-E40 WeakPolarHBondContact CE1-OE1 3.42Å; Y30-E40 PolarHBondContact OH-OE1 3.19Å; Y30-S90 PolarHBondContact N-O 3.1Å; Y30-L92 PolarHBondContact O-N 3.03Å; Y30-L92 VanDerWaalsContact O-N 3.08Å
31I95.4Very high84.4Confident0 Ų070.5 Ų70.50%040%0.402CS..EExtended strand (participates in β ladder)trans-79.9124.2-177.2-46-58000110.2L29 R38 F39 L41 L52 L56 L92 L94L29-I31 HydrophobicContact CB-CD1 4.08Å; L29-I31 PolarHBondContact O-N 2.85Å; I31-R38 VanDerWaalsContact O-CA 3.31Å; I31-R38 WeakPolarHBondContact O-CA 3.16Å; I31-F39 HydrophobicContact CB-CD2 4.12Å; I31-F39 HydrophobicContact CB-CE1 4.28Å; I31-F39 HydrophobicContact CB-CE2 3.79Å; I31-F39 HydrophobicContact CB-CZ 3.88Å; I31-F39 WeakPolarHBondContact CB-O 3.29Å; I31-F39 HydrophobicContact CG1-CD2 4.19Å; I31-F39 HydrophobicContact CG1-CE2 3.8Å; I31-F39 HydrophobicContact CG1-CZ 4.31Å; I31-F39 HydrophobicContact CG2-CE1 4.07Å; I31-F39 HydrophobicContact CG2-CE2 4.05Å; I31-F39 HydrophobicContact CG2-CZ 3.65Å; I31-F39 PolarHBondContact N-O 2.75Å; I31-F39 PolarHBondContact O-N 3.22Å; I31-F39 VanDerWaalsContact O-N 3.1Å; I31-L41 HydrophobicContact CG1-CB 4.15Å; I31-L52 HydrophobicContact CD1-CD1 4.45Å; I31-L56 HydrophobicContact CG1-CD2 4.18Å; I31-L56 HydrophobicContact CG2-CD2 4.09Å; I31-L92 HydrophobicContact CD1-CB 4.1Å; I31-L92 HydrophobicContact CD1-CD1 4.12Å; I31-L94 HydrophobicContact CG2-CB 3.98Å; I31-L94 HydrophobicContact CG2-CD2 4.42Å
32H93.8Very high86.3Confident35 Ų3567.2 Ų67.216%0.16238%0.384CS..EExtended strand (participates in β ladder)trans-119.8102.7179.5-71.967.1000110Y30 K91 L92 T93 L94Y30-H32 PolarHBondContact O-ND1 2.67Å; H32-K91 PolarHBondContact CD2-NZ 3.12Å; H32-K91 VanDerWaalsContact CE1-CE 3.47Å; H32-K91 WeakPolarHBondContact CE1-CE 3.32Å; H32-K91 WeakPolarHBondContact NE2-CE 3.44Å; H32-K91 PolarHBondContact NE2-NZ 2.69Å; H32-L92 PolarHBondContact N-O 3.04Å; H32-T93 CarbonylContact O-C 3.47Å; H32-T93 WeakPolarHBondContact O-CA 3.31Å; H32-L94 PolarHBondContact O-N 2.86Å
33S90.6Very high88Confident13 Ų1362.1 Ų62.19%0.09135%0.351CS..EExtended strand (participates in β ladder)trans-73.3142.9174.7-1720000111.7T35 G36 T37 L94S33-T35 WeakPolarHBondContact CB-OG1 3.41Å; S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 PolarHBondContact OG-N 2.83Å; S33-T35 VanDerWaalsContact OG-N 3.1Å; S33-T35 PolarHBondContact OG-OG1 3.48Å; S33-G36 PolarHBondContact O-N 3.19Å; S33-T37 WeakPolarHBondContact CB-O 3.28Å; S33-T37 WeakPolarHBondContact CB-OG1 3.1Å; S33-T37 PolarHBondContact N-O 3.28Å; S33-L94 CarbonylContact C-O 3.53Å; S33-L94 WeakPolarHBondContact CA-O 3.43Å
34T85.4Confident89.5Confident91 Ų9159.8 Ų59.856%0.55833%0.327SS*.THydrogen-bonded Turntrans-64-16165.655.60000112.9G36 T93 L94 V95 P96T34-G36 PolarHBondContact O-N 2.89Å; T34-T93 HydrophobicContact CG2-CG2 4.19Å; T34-L94 PolarHBondContact N-O 3.41Å; T34-V95 HydrophobicContact CG2-CG2 3.84Å; T34-P96 VanDerWaalsContact OG1-CD 3.23Å; T34-P96 WeakPolarHBondContact OG1-CD 3.48Å
35T79.9Confident90.3Very high91 Ų9156.8 Ų56.856%0.55831%0.314SS*.THydrogen-bonded Turntrans-79.113.3168.970.40000113.3S33 T37 P96S33-T35 WeakPolarHBondContact CB-OG1 3.41Å; S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 PolarHBondContact OG-N 2.83Å; S33-T35 VanDerWaalsContact OG-N 3.1Å; S33-T35 PolarHBondContact OG-OG1 3.48Å; T35-T37 PolarHBondContact O-N 3.14Å; T35-T37 PolarHBondContact OG1-OG1 3.42Å; T35-P96 HydrophobicContact CG2-CG 3.86Å
36G82.3Confident90.5Very high58 Ų5858.9 Ų58.960%0.59832%0.318SS*.SBendtrans81.6-17.517700000115.6S33 T34S33-G36 PolarHBondContact O-N 3.19Å; T34-G36 PolarHBondContact O-N 2.89Å
37T86.8Confident90.8Very high66 Ų6656.3 Ų56.341%0.40530%0.298SS..  trans-67138177.654.40000111.3S33 T35S33-T37 WeakPolarHBondContact CB-O 3.28Å; S33-T37 WeakPolarHBondContact CB-OG1 3.1Å; S33-T37 PolarHBondContact N-O 3.28Å; T35-T37 PolarHBondContact O-N 3.14Å; T35-T37 PolarHBondContact OG1-OG1 3.42Å
38R90.7Very high90.9Very high189 Ų18958.6 Ų58.671%0.71331%0.312SS*.EExtended strand (participates in β ladder)trans-132.1137.4176.3-58.1-179.4-167.8174.34.4108.9I31I31-R38 VanDerWaalsContact O-CA 3.31Å; I31-R38 WeakPolarHBondContact O-CA 3.16Å
39F92.3Very high90.9Very high55 Ų5556.3 Ų56.324%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-157.9154.2176.355.2-86.5000110.5I31 L56 L60I31-F39 HydrophobicContact CB-CD2 4.12Å; I31-F39 HydrophobicContact CB-CE1 4.28Å; I31-F39 HydrophobicContact CB-CE2 3.79Å; I31-F39 HydrophobicContact CB-CZ 3.88Å; I31-F39 WeakPolarHBondContact CB-O 3.29Å; I31-F39 HydrophobicContact CG1-CD2 4.19Å; I31-F39 HydrophobicContact CG1-CE2 3.8Å; I31-F39 HydrophobicContact CG1-CZ 4.31Å; I31-F39 HydrophobicContact CG2-CE1 4.07Å; I31-F39 HydrophobicContact CG2-CE2 4.05Å; I31-F39 HydrophobicContact CG2-CZ 3.65Å; I31-F39 PolarHBondContact N-O 2.75Å; I31-F39 PolarHBondContact O-N 3.22Å; I31-F39 VanDerWaalsContact O-N 3.1Å; F39-L56 HydrophobicContact CE2-CD2 3.55Å; F39-L56 HydrophobicContact CZ-CD2 3.52Å; F39-L60 HydrophobicContact CE1-CD1 4.41Å; F39-L60 HydrophobicContact CE1-CD2 3.88Å; F39-L60 HydrophobicContact CZ-CD1 4.13Å; F39-L60 HydrophobicContact CZ-CD2 4.08Å; F39-L60 HydrophobicContact CZ-CG 4.28Å
40E94.4Very high90.8Very high103 Ų10360.5 Ų60.548%0.48132%0.319SS..EExtended strand (participates in β ladder)trans-91.1146.6175-172.4163.5-15300109.7N28 L29 Y30N28-E40 HydrophobicContact CB-CG 4.18Å; L29-E40 WeakPolarHBondContact O-CA 3.49Å; Y30-E40 HydrophobicContact CD1-CB 4.19Å; Y30-E40 HydrophobicContact CD1-CG 4.16Å; Y30-E40 HydrophobicContact CE1-CB 4.04Å; Y30-E40 HydrophobicContact CE1-CG 3.71Å; Y30-E40 WeakPolarHBondContact CE1-OE1 3.42Å; Y30-E40 PolarHBondContact OH-OE1 3.19Å
41L92.7Very high90.7Very high17 Ų1755.8 Ų55.89%0.08930%0.301CS..EExtended strand (participates in β ladder)trans-139110-178.1-171.166.6000110.5L29 I31 L43 L52 R55 L56L29-L41 PolarHBondContact N-O 3.37Å; L29-L41 PolarHBondContact O-N 2.96Å; I31-L41 HydrophobicContact CG1-CB 4.15Å; L41-L43 HydrophobicContact CD2-CD2 4.05Å; L41-L43 HydrophobicContact CG-CD2 3.99Å; L41-L43 HydrophobicContact CG-CG 4.27Å; L41-L52 HydrophobicContact CD2-CD1 3.59Å; L41-R55 HydrophobicContact CD1-CG 4.35Å; L41-L56 HydrophobicContact CD2-CD2 4.01Å; L41-L56 HydrophobicContact CD2-CG 4.2Å
42S93Very high90.7Very high58 Ų5855.8 Ų55.841%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-81134.5173.8-1600000111.2M27 N28M27-S42 WeakPolarHBondContact O-CA 3.26Å; N28-S42 WeakPolarHBondContact OD1-CB 3.43Å; N28-S42 PolarHBondContact OD1-OG 3.13Å
43L93Very high90.6Very high2 Ų255.6 Ų55.61%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-143.2153.2-172.2-58.6171.7000110.3S26 M27 L29 L41 E47 L52 R55 L81S26-L43 CarbonylContact C-O 3.59Å; S26-L43 WeakPolarHBondContact CA-O 3.46Å; S26-L43 WeakPolarHBondContact CB-O 3.41Å; M27-L43 HydrophobicContact CE-CB 4.48Å; M27-L43 HydrophobicContact CE-CD1 4.46Å; M27-L43 HydrophobicContact CG-CB 4.47Å; M27-L43 PolarHBondContact N-O 2.88Å; M27-L43 PolarHBondContact O-N 3.13Å; L29-L43 HydrophobicContact CD1-CD1 3.49Å; L29-L43 VanDerWaalsContact CD1-CD1 3.49Å; L29-L43 HydrophobicContact CG-CD1 4.05Å; L41-L43 HydrophobicContact CD2-CD2 4.05Å; L41-L43 HydrophobicContact CG-CD2 3.99Å; L41-L43 HydrophobicContact CG-CG 4.27Å; L43-E47 HydrophobicContact CB-CB 4.33Å; L43-E47 HydrophobicContact CD2-CG 4.38Å; L43-L52 HydrophobicContact CD1-CD1 4Å; L43-R55 VanDerWaalsContact CD2-CD 3.44Å; L43-L81 HydrophobicContact CD1-CD1 4.1Å
44P91.9Very high90.7Very high49 Ų4961 Ų6132%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-58.8145.5163.2-18.831.6000111.1E46 E47P44-E46 PolarHBondContact O-N 3.14Å; P44-E47 WeakPolarHBondContact O-CB 3.32Å; P44-E47 PolarHBondContact O-N 3.43Å; P44-E47 VanDerWaalsContact O-N 3.09Å
45Q87.4Confident91.1Very high78 Ų7860.7 Ų60.736%0.36431%0.306SS..THydrogen-bonded Turntrans-58.7-30177.3-156-173.6-36.200112.3P25 E47 Q82P25-Q45 HydrophobicContact CB-CB 4.36Å; P25-Q45 HydrophobicContact CG-CB 4.22Å; P25-Q45 WeakPolarHBondContact O-CB 3.25Å; P25-Q45 PolarHBondContact O-N 3.11Å; Q45-E47 PolarHBondContact O-N 2.76Å; Q45-Q82 HydrophobicContact CG-CG 4.36Å; Q45-Q82 PolarHBondContact O-NE2 2.96Å
46E86.5Confident91.7Very high109 Ų10956.4 Ų56.451%0.50928%0.28SS..THydrogen-bonded Turntrans-78.4-2.6177.9-73.7-80.897.100115.2P44 K80P44-E46 PolarHBondContact O-N 3.14Å; E46-K80 IonicContact OE1-NZ 2.66Å; E46-K80 PolarHBondContact OE1-NZ 2.85Å; E46-K80 WeakPolarHBondContact OE2-CE 3.43Å; E46-K80 IonicContact OE2-NZ 2.67Å; E46-K80 PolarHBondContact OE2-NZ 2.85Å
47E93.6Very high92.1Very high18 Ų1854.7 Ų54.78%0.08426%0.259CS..  trans-64.2142.6-174-174.4102.1-12700112.9L43 P44 Q45 G51 R54 R55 L81L43-E47 HydrophobicContact CB-CB 4.33Å; L43-E47 HydrophobicContact CD2-CG 4.38Å; P44-E47 WeakPolarHBondContact O-CB 3.32Å; P44-E47 PolarHBondContact O-N 3.43Å; P44-E47 VanDerWaalsContact O-N 3.09Å; Q45-E47 PolarHBondContact O-N 2.76Å; E47-G51 WeakPolarHBondContact OE1-CA 3.39Å; E47-R54 IonicContact OE1-NH2 3.44Å; E47-R54 PolarHBondContact OE1-NH2 2.89Å; E47-R55 IonicContact OE2-CZ 3.67Å; E47-R55 IonicContact OE2-NE 2.7Å; E47-R55 PolarHBondContact OE2-NE 3.17Å; E47-R55 IonicContact OE2-NH2 2.68Å; E47-R55 PolarHBondContact OE2-NH2 2.89Å; E47-L81 HydrophobicContact CB-CD1 4.19Å; E47-L81 HydrophobicContact CG-CD1 4.33Å; E47-L81 WeakPolarHBondContact O-CD1 3.28Å; E47-L81 VanDerWaalsContact O-CG 3.25Å; E47-L81 WeakPolarHBondContact O-CG 3.35Å; E47-L81 PolarHBondContact O-N 2.81Å
48T94.9Very high92.4Very high51 Ų5157.9 Ų57.931%0.31327%0.269SS..BIsolated β-bridgetrans-91.9166.2177.782.90000113.1E50 G51 L52 G79T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.95Å; T48-E50 PolarHBondContact OG1-N 2.68Å; T48-E50 PolarHBondContact OG1-OE2 2.91Å; T48-G51 WeakPolarHBondContact O-CA 3.48Å; T48-G51 PolarHBondContact O-N 2.9Å; T48-G51 VanDerWaalsContact O-N 3.08Å; T48-G51 PolarHBondContact OG1-N 2.68Å; T48-L52 PolarHBondContact O-N 2.9Å; T48-G79 CarbonylContact C-O 3.49Å; T48-G79 VanDerWaalsContact CA-O 3.26Å; T48-G79 WeakPolarHBondContact CA-O 3.31Å; T48-G79 VanDerWaalsContact CB-O 3.29Å; T48-G79 WeakPolarHBondContact CB-O 3.24Å
49V93.8Very high92.4Very high0 Ų058.3 Ų58.30%027%0.271CS..Hα-helixtrans-58.7-39.1173.3176.70000112.2G51 K53 L76 S77 G79 L81 L84V49-G51 VanDerWaalsContact C-N 3.33Å; V49-K53 HydrophobicContact CG1-CD 4.06Å; V49-K53 VanDerWaalsContact CG1-CE 3.48Å; V49-K53 WeakPolarHBondContact O-CB 3.39Å; V49-K53 VanDerWaalsContact O-CG 3.24Å; V49-K53 WeakPolarHBondContact O-CG 3.39Å; V49-K53 PolarHBondContact O-N 2.95Å; V49-L76 HydrophobicContact CG1-CB 3.76Å; V49-L76 HydrophobicContact CG2-CB 4.14Å; V49-S77 WeakPolarHBondContact CG1-O 3.43Å; V49-G79 PolarHBondContact N-O 2.8Å; V49-L81 HydrophobicContact CG2-CD2 3.86Å; V49-L84 HydrophobicContact CG2-CD1 3.53Å
50E92.6Very high92.2Very high89 Ų8958.4 Ų58.442%0.41627%0.274SS..Hα-helixtrans-66.1-37.7173.9-57.174.9-162.600111.5T48 K53 R54 S78T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.95Å; T48-E50 PolarHBondContact OG1-N 2.68Å; T48-E50 PolarHBondContact OG1-OE2 2.91Å; E50-K53 PolarHBondContact O-N 3.09Å; E50-R54 VanDerWaalsContact O-CB 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 PolarHBondContact O-N 2.85Å; E50-S78 WeakPolarHBondContact OE1-CA 3.35Å; E50-S78 WeakPolarHBondContact OE1-CB 3.48Å
51G93.8Very high92Very high0 Ų062.7 Ų62.70%029%0.291CS..Hα-helixtrans-66.7-44.1179.200000113.2E47 T48 V49 R54 R55E47-G51 WeakPolarHBondContact OE1-CA 3.39Å; T48-G51 WeakPolarHBondContact O-CA 3.48Å; T48-G51 PolarHBondContact O-N 2.9Å; T48-G51 VanDerWaalsContact O-N 3.08Å; T48-G51 PolarHBondContact OG1-N 2.68Å; V49-G51 VanDerWaalsContact C-N 3.33Å; G51-R54 WeakPolarHBondContact O-CB 3.42Å; G51-R54 PolarHBondContact O-N 3.45Å; G51-R55 PolarHBondContact O-N 3.27Å
52L94.2Very high91.8Very high0 Ų064.1 Ų64.10%030%0.3CS..Hα-helixtrans-59.1-50.3169169.857.6000111.7L29 I31 L41 L43 T48 R54 R55 L56 L69 L81 L92L29-L52 HydrophobicContact CD1-CD2 4.2Å; I31-L52 HydrophobicContact CD1-CD1 4.45Å; L41-L52 HydrophobicContact CD2-CD1 3.59Å; L43-L52 HydrophobicContact CD1-CD1 4Å; T48-L52 PolarHBondContact O-N 2.9Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 2.99Å; L52-R55 PolarHBondContact O-N 3.38Å; L52-L56 HydrophobicContact CD1-CD1 3.65Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 2.95Å; L52-L56 PolarHBondContact O-N 3.08Å; L52-L69 HydrophobicContact CD2-CD1 3.65Å; L52-L69 HydrophobicContact CG-CD1 3.71Å; L52-L81 HydrophobicContact CB-CD1 4.19Å; L52-L81 HydrophobicContact CD2-CD1 4.14Å; L52-L81 HydrophobicContact CD2-CD2 3.71Å; L52-L92 HydrophobicContact CD2-CD1 3.57Å
53K92.3Very high91.6Very high30 Ų3064.6 Ų64.613%0.1330%0.302CS..Hα-helixtrans-58.4-39.8176.4-73.7168.5-177.7168.30112.2V49 E50 S57 K64 L69 L76 S77V49-K53 HydrophobicContact CG1-CD 4.06Å; V49-K53 VanDerWaalsContact CG1-CE 3.48Å; V49-K53 WeakPolarHBondContact O-CB 3.39Å; V49-K53 VanDerWaalsContact O-CG 3.24Å; V49-K53 WeakPolarHBondContact O-CG 3.39Å; V49-K53 PolarHBondContact O-N 2.95Å; E50-K53 PolarHBondContact O-N 3.09Å; K53-S57 WeakPolarHBondContact O-CB 3.16Å; K53-S57 PolarHBondContact O-N 2.77Å; K53-S57 PolarHBondContact O-OG 3.21Å; K53-K64 HydrophobicContact CB-CB 4.3Å; K53-L69 HydrophobicContact CG-CD1 3.77Å; K53-L76 PolarHBondContact NZ-O 3.49Å; K53-S77 PolarHBondContact NZ-O 3.35Å
54R93.3Very high91.3Very high128 Ų12869.6 Ų69.648%0.48332%0.323SS..Hα-helixtrans-61.4-51.1174170.3-173.263-146.4-3.8111.2E47 E50 G51 L52 L56 S57 Q58E47-R54 IonicContact OE1-NH2 3.44Å; E47-R54 PolarHBondContact OE1-NH2 2.89Å; E50-R54 VanDerWaalsContact O-CB 3.24Å; E50-R54 WeakPolarHBondContact O-CB 3.17Å; E50-R54 PolarHBondContact O-N 2.85Å; G51-R54 WeakPolarHBondContact O-CB 3.42Å; G51-R54 PolarHBondContact O-N 3.45Å; L52-R54 VanDerWaalsContact C-N 3.3Å; L52-R54 PolarHBondContact O-N 2.99Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3Å; R54-S57 WeakPolarHBondContact CA-OG 3.32Å; R54-S57 PolarHBondContact O-N 2.98Å; R54-S57 VanDerWaalsContact O-N 3.14Å; R54-S57 PolarHBondContact O-OG 2.96Å; R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.7Å; R54-Q58 VanDerWaalsContact O-N 3.1Å
55R93.3Very high91Very high83 Ų8373.2 Ų73.231%0.31334%0.336SS..Hα-helixtrans-63.3-38.4-179.5-159.8-179.2-63.6-121.52.5111.8L41 L43 E47 G51 L52 R59L41-R55 HydrophobicContact CD1-CG 4.35Å; L43-R55 VanDerWaalsContact CD2-CD 3.44Å; E47-R55 IonicContact OE2-CZ 3.67Å; E47-R55 IonicContact OE2-NE 2.7Å; E47-R55 PolarHBondContact OE2-NE 3.17Å; E47-R55 IonicContact OE2-NH2 2.68Å; E47-R55 PolarHBondContact OE2-NH2 2.89Å; G51-R55 PolarHBondContact O-N 3.27Å; L52-R55 PolarHBondContact O-N 3.38Å; R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.2Å; R55-R59 VanDerWaalsContact O-N 3.11Å
56L92.3Very high91Very high1 Ų175 Ų751%0.00534%0.339CS..Hα-helixtrans-64.9-43.2171.9-70.4167.8000112.5I31 F39 L41 L52 R54 Q58 R59 L60 L67 L69I31-L56 HydrophobicContact CG1-CD2 4.18Å; I31-L56 HydrophobicContact CG2-CD2 4.09Å; F39-L56 HydrophobicContact CE2-CD2 3.55Å; F39-L56 HydrophobicContact CZ-CD2 3.52Å; L41-L56 HydrophobicContact CD2-CD2 4.01Å; L41-L56 HydrophobicContact CD2-CG 4.2Å; L52-L56 HydrophobicContact CD1-CD1 3.65Å; L52-L56 HydrophobicContact CD1-CG 3.94Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 2.95Å; L52-L56 PolarHBondContact O-N 3.08Å; R54-L56 VanDerWaalsContact C-N 3.32Å; R54-L56 PolarHBondContact O-N 3Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 2.72Å; L56-R59 PolarHBondContact O-N 3.33Å; L56-L60 WeakPolarHBondContact O-CB 3.19Å; L56-L60 PolarHBondContact O-N 3.39Å; L56-L67 HydrophobicContact CB-CD1 3.84Å; L56-L69 HydrophobicContact CD1-CD1 3.83Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 4.24Å
57S92.1Very high91.2Very high23 Ų2370 Ų7016%0.16132%0.316CS..Hα-helixtrans-60.9-39.1179.770.30000112.4K53 R54 K61 V62K53-S57 WeakPolarHBondContact O-CB 3.16Å; K53-S57 PolarHBondContact O-N 2.77Å; K53-S57 PolarHBondContact O-OG 3.21Å; R54-S57 WeakPolarHBondContact CA-OG 3.32Å; R54-S57 PolarHBondContact O-N 2.98Å; R54-S57 VanDerWaalsContact O-N 3.14Å; R54-S57 PolarHBondContact O-OG 2.96Å; S57-K61 VanDerWaalsContact O-CA 3.29Å; S57-K61 WeakPolarHBondContact O-CA 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å; S57-V62 WeakPolarHBondContact CA-O 3.5Å; S57-V62 WeakPolarHBondContact CB-O 3.07Å; S57-V62 PolarHBondContact O-N 2.91Å
58Q92.6Very high91.1Very high132 Ų13269.5 Ų69.562%0.61732%0.315SS*.Hα-helixtrans-67.4-43.9174.7-68.3168.2-22.600112R54 L56R54-Q58 WeakPolarHBondContact O-CG 3.45Å; R54-Q58 PolarHBondContact O-N 2.7Å; R54-Q58 VanDerWaalsContact O-N 3.1Å; L56-Q58 VanDerWaalsContact C-N 3.29Å; L56-Q58 PolarHBondContact O-N 2.72Å
59R89.9Confident91Very high198 Ų19867.1 Ų67.175%0.74730%0.3SS*.Hα-helixtrans-71.3-36.2-178.3-74.1-75.5168.6170.6-3.3113.4R55 L56R55-R59 WeakPolarHBondContact O-CG 3.32Å; R55-R59 PolarHBondContact O-N 3.2Å; R55-R59 VanDerWaalsContact O-N 3.11Å; L56-R59 PolarHBondContact O-N 3.33Å
60L88.8Confident91Very high57 Ų5769.2 Ų69.230%0.29831%0.312SS..Hα-helixtrans-96.4-10.4-177.4-62.2176.7000114F39 L56 V62 L94F39-L60 HydrophobicContact CE1-CD1 4.41Å; F39-L60 HydrophobicContact CE1-CD2 3.88Å; F39-L60 HydrophobicContact CZ-CD1 4.13Å; F39-L60 HydrophobicContact CZ-CD2 4.08Å; F39-L60 HydrophobicContact CZ-CG 4.28Å; L56-L60 WeakPolarHBondContact O-CB 3.19Å; L56-L60 PolarHBondContact O-N 3.39Å; L60-V62 HydrophobicContact CB-CB 4.5Å; L60-V62 HydrophobicContact CB-CG2 4.33Å; L60-V62 PolarHBondContact O-N 2.97Å; L60-L94 HydrophobicContact CD1-CD2 3.33Å
61K90.7Very high91.1Very high194 Ų19465.5 Ų65.584%0.84329%0.294SS*.THydrogen-bonded Turntrans5933.3-174.8-54.1169.3-177.3174.20112.8S57S57-K61 VanDerWaalsContact O-CA 3.29Å; S57-K61 WeakPolarHBondContact O-CA 3.42Å; S57-K61 PolarHBondContact O-N 3.36Å
62V88.3Confident90.9Very high46 Ų4673.3 Ų73.328%0.27933%0.328SS..SBendtrans-119129.1178.6174.80000108.3S57 L60 R66 L67S57-V62 WeakPolarHBondContact CA-O 3.5Å; S57-V62 WeakPolarHBondContact CB-O 3.07Å; S57-V62 PolarHBondContact O-N 2.91Å; L60-V62 HydrophobicContact CB-CB 4.5Å; L60-V62 HydrophobicContact CB-CG2 4.33Å; L60-V62 PolarHBondContact O-N 2.97Å; V62-R66 HydrophobicContact CG1-CB 3.8Å; V62-L67 HydrophobicContact CB-CD2 4.05Å; V62-L67 HydrophobicContact CG1-CD2 3.66Å; V62-L67 HydrophobicContact CG1-CG 4.24Å
63P87.6Confident90.4Very high68 Ų6882.1 Ų82.144%0.44237%0.369SS..  trans-51.4140.5179.6-27.834.7000113E65 R66P63-E65 VanDerWaalsContact CB-OE2 3.3Å; P63-E65 WeakPolarHBondContact CB-OE2 3.42Å; P63-E65 PolarHBondContact O-N 3.08Å; P63-E65 VanDerWaalsContact O-N 3.13Å; P63-R66 HydrophobicContact CB-CG 4.38Å; P63-R66 WeakPolarHBondContact O-CA 3.49Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.33Å
64K88.3Confident90.1Very high108 Ų10884.8 Ų84.847%0.4739%0.388SS..G310 helixtrans-60.8-25.3-175.663.1-180-179.4179.30113.1K53 R66 L67K53-K64 HydrophobicContact CB-CB 4.3Å; K64-R66 VanDerWaalsContact C-N 3.27Å; K64-L67 PolarHBondContact O-N 3.18Å
65E86Confident90Very high124 Ų12486.4 Ų86.458%0.57939%0.394SS*.G310 helixtrans-67.2-29.7174.3-58.870.7-154.600111.6P63 L67 T97P63-E65 VanDerWaalsContact CB-OE2 3.3Å; P63-E65 WeakPolarHBondContact CB-OE2 3.42Å; P63-E65 PolarHBondContact O-N 3.08Å; P63-E65 VanDerWaalsContact O-N 3.13Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.9Å; E65-T97 PolarHBondContact O-OG1 2.92Å; E65-T97 VanDerWaalsContact O-OG1 3.1Å
66R86.8Confident89.8Confident115 Ų11582.6 Ų82.643%0.43438%0.38SS..G310 helixtrans-90.714.9178.6-63.7-171.860.8-163.3-6.5113.2V62 P63 K64 P96 T97V62-R66 HydrophobicContact CG1-CB 3.8Å; P63-R66 HydrophobicContact CB-CG 4.38Å; P63-R66 WeakPolarHBondContact O-CA 3.49Å; P63-R66 WeakPolarHBondContact O-CB 3.16Å; P63-R66 PolarHBondContact O-N 3.33Å; K64-R66 VanDerWaalsContact C-N 3.27Å; R66-P96 CarbonylContact O-C 3.53Å; R66-P96 WeakPolarHBondContact O-CA 3.45Å; R66-T97 WeakPolarHBondContact CA-OG1 3.1Å; R66-T97 PolarHBondContact O-N 3.38Å; R66-T97 PolarHBondContact O-OG1 3.43Å
67L89.4Confident89.4Confident6 Ų686.4 Ų86.43%0.03141%0.407CS..EExtended strand (participates in β ladder)trans-121.9105.1179.6-57.8179.4000111.2L56 V62 K64 E65 L94 T97L56-L67 HydrophobicContact CB-CD1 3.84Å; V62-L67 HydrophobicContact CB-CD2 4.05Å; V62-L67 HydrophobicContact CG1-CD2 3.66Å; V62-L67 HydrophobicContact CG1-CG 4.24Å; K64-L67 PolarHBondContact O-N 3.18Å; E65-L67 VanDerWaalsContact C-N 3.3Å; E65-L67 PolarHBondContact O-N 2.9Å; L67-L94 HydrophobicContact CB-CD1 3.93Å; L67-L94 HydrophobicContact CD2-CD1 3.89Å; L67-L94 HydrophobicContact CD2-CD2 4.29Å; L67-L94 HydrophobicContact CG-CD1 4.4Å; L67-T97 PolarHBondContact N-OG1 2.9Å
68A91.8Very high89.1Confident7 Ų788.4 Ų88.46%0.05842%0.421CS..EExtended strand (participates in β ladder)trans-93.9130.1165.800000110V95 T97A68-V95 HydrophobicContact CB-CB 4.32Å; A68-V95 PolarHBondContact N-O 3.04Å; A68-V95 PolarHBondContact O-N 3.11Å; A68-T97 HydrophobicContact CB-CG2 3.95Å
69L93.8Very high89Confident0 Ų083.7 Ų83.70%041%0.407CS..EExtended strand (participates in β ladder)trans-109.8141.9175.7-70.7164.1000109.8L52 K53 L56 R75 L76 T93 L94L52-L69 HydrophobicContact CD2-CD1 3.65Å; L52-L69 HydrophobicContact CG-CD1 3.71Å; K53-L69 HydrophobicContact CG-CD1 3.77Å; L56-L69 HydrophobicContact CD1-CD1 3.83Å; L56-L69 HydrophobicContact CD1-CD2 3.73Å; L56-L69 HydrophobicContact CD1-CG 4.24Å; L69-R75 WeakPolarHBondContact O-CA 3.47Å; L69-L76 HydrophobicContact CB-CB 4.2Å; L69-L76 HydrophobicContact CB-CD1 3.88Å; L69-L76 HydrophobicContact CB-CG 4.16Å; L69-L76 PolarHBondContact O-N 3.36Å; L69-T93 CarbonylContact C-O 3.54Å; L69-T93 WeakPolarHBondContact CA-O 3.45Å; L69-L94 HydrophobicContact CD2-CB 4.1Å; L69-L94 HydrophobicContact CD2-CD1 3.73Å; L69-L94 HydrophobicContact CG-CD1 4.24Å
70L93.9Very high89.2Confident45 Ų4577.7 Ų77.724%0.23639%0.387CS..EExtended strand (participates in β ladder)trans-127.4135.7176.5-6282.8000111.1T74 L92 T93 V95L70-T74 CarbonylContact C-O 3.55Å; L70-T74 WeakPolarHBondContact CA-O 3.33Å; L70-L92 WeakPolarHBondContact O-CA 3.49Å; L70-T93 PolarHBondContact N-O 3.32Å; L70-T93 PolarHBondContact O-N 3.5Å; L70-V95 HydrophobicContact CD1-CB 4.2Å; L70-V95 HydrophobicContact CD1-CG2 3.54Å
71H94.2Very high89.4Confident10 Ų1075 Ų755%0.04637%0.373CS..EExtended strand (participates in β ladder)trans-121.4123.8170.6-178.3-140.1000108.4E73 T74 L76 L84 G85 I86 L92H71-E73 PolarHBondContact O-N 3.32Å; H71-T74 PolarHBondContact N-O 3.45Å; H71-T74 WeakPolarHBondContact O-CB 3.48Å; H71-T74 PolarHBondContact O-N 2.83Å; H71-T74 PolarHBondContact O-OG1 3.26Å; H71-L76 HydrophobicContact CB-CD2 3.9Å; H71-L84 PolarHBondContact ND1-O 2.78Å; H71-G85 PolarHBondContact CE1-O 3.1Å; H71-I86 HydrophobicContact CB-CD1 4.31Å; H71-I86 HydrophobicContact CB-CG1 4.24Å; H71-I86 WeakPolarHBondContact ND1-CG1 3.15Å; H71-L92 HydrophobicContact CB-CD2 3.57Å
72K90.1Very high89.5Confident165 Ų16569.1 Ų69.172%0.71735%0.348SS*.THydrogen-bonded Turntrans47.747.7-178-60.9167.1-175.6168.30111.7T74K72-T74 PolarHBondContact O-N 3.44Å
73E83.4Confident89.6Confident184 Ų18472.6 Ų72.686%0.8637%0.365SS*.THydrogen-bonded Turntrans64-10.2-174.2-50-166.9132.300116.9H71H71-E73 PolarHBondContact O-N 3.32Å
74T86.7Confident89.6Confident86 Ų8672.6 Ų72.653%0.52836%0.361SS..EExtended strand (participates in β ladder)trans-77.2135.717471.50000111.8L70 H71 K72L70-T74 CarbonylContact C-O 3.55Å; L70-T74 WeakPolarHBondContact CA-O 3.33Å; H71-T74 PolarHBondContact N-O 3.45Å; H71-T74 WeakPolarHBondContact O-CB 3.48Å; H71-T74 PolarHBondContact O-N 2.83Å; H71-T74 PolarHBondContact O-OG1 3.26Å; K72-T74 PolarHBondContact O-N 3.44Å
75R90Very high89.6Confident162 Ų16269.6 Ų69.661%0.61136%0.361SS*.EExtended strand (participates in β ladder)trans-82.9125.8179.2-174.3-173-176.8-150.43.5111.2L69 S77L69-R75 WeakPolarHBondContact O-CA 3.47Å; R75-S77 PolarHBondContact O-N 3.24Å
76L90.4Very high90Very high3 Ų363.8 Ų63.82%0.01633%0.334CS..  trans-77.3113.2177.7-49.2-176.5000111V49 K53 L69 H71 L81 L84 I86 L92V49-L76 HydrophobicContact CG1-CB 3.76Å; V49-L76 HydrophobicContact CG2-CB 4.14Å; K53-L76 PolarHBondContact NZ-O 3.49Å; L69-L76 HydrophobicContact CB-CB 4.2Å; L69-L76 HydrophobicContact CB-CD1 3.88Å; L69-L76 HydrophobicContact CB-CG 4.16Å; L69-L76 PolarHBondContact O-N 3.36Å; H71-L76 HydrophobicContact CB-CD2 3.9Å; L76-L81 HydrophobicContact CD1-CD2 4.48Å; L76-L84 HydrophobicContact CD2-CB 4.43Å; L76-L84 HydrophobicContact CD2-CD1 3.91Å; L76-I86 HydrophobicContact CD1-CD1 3.48Å; L76-I86 VanDerWaalsContact CD1-CD1 3.48Å; L76-I86 HydrophobicContact CD2-CD1 3.85Å; L76-I86 HydrophobicContact CG-CD1 4.34Å; L76-L92 HydrophobicContact CD1-CD1 4.3Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å
77S83.1Confident90.2Very high81 Ų8161.7 Ų61.757%0.56634%0.337SS*.  trans-83.6-73.517444.60000111.5V49 K53 R75V49-S77 WeakPolarHBondContact CG1-O 3.43Å; K53-S77 PolarHBondContact NZ-O 3.35Å; R75-S77 PolarHBondContact O-N 3.24Å
78S86.2Confident90.4Very high65 Ų6565.8 Ų65.846%0.45536%0.359SS..SBendtrans-156.5169.8-16750.90000110.6E50E50-S78 WeakPolarHBondContact OE1-CA 3.35Å; E50-S78 WeakPolarHBondContact OE1-CB 3.48Å
79G90.8Very high90.5Very high33 Ų3367.1 Ų67.134%0.3437%0.374SS..SBendtrans105.6177.5178.700000114.1T48 V49T48-G79 CarbonylContact C-O 3.49Å; T48-G79 VanDerWaalsContact CA-O 3.26Å; T48-G79 WeakPolarHBondContact CA-O 3.31Å; T48-G79 VanDerWaalsContact CB-O 3.29Å; T48-G79 WeakPolarHBondContact CB-O 3.24Å; V49-G79 PolarHBondContact N-O 2.8Å
80K93.4Very high90.5Very high72 Ų7267.8 Ų67.831%0.31338%0.378SS..BIsolated β-bridgetrans-70.2149.5172-70.1-176.2168.4-174.20109.7E46 D83E46-K80 IonicContact OE1-NZ 2.66Å; E46-K80 PolarHBondContact OE1-NZ 2.85Å; E46-K80 WeakPolarHBondContact OE2-CE 3.43Å; E46-K80 IonicContact OE2-NZ 2.67Å; E46-K80 PolarHBondContact OE2-NZ 2.85Å; K80-D83 WeakPolarHBondContact CB-OD2 3.48Å
81L93.1Very high90.6Very high0 Ų071.3 Ų71.30%039%0.392CS..THydrogen-bonded Turntrans-67.8-37.4-179.2-68.7167.3000112M27 L29 L43 E47 V49 L52 L76 D83 L84 I86M27-L81 HydrophobicContact CE-CB 3.86Å; M27-L81 HydrophobicContact CE-CD1 3.55Å; M27-L81 HydrophobicContact CE-CG 4.35Å; L29-L81 HydrophobicContact CD1-CD1 4.29Å; L43-L81 HydrophobicContact CD1-CD1 4.1Å; E47-L81 HydrophobicContact CB-CD1 4.19Å; E47-L81 HydrophobicContact CG-CD1 4.33Å; E47-L81 WeakPolarHBondContact O-CD1 3.28Å; E47-L81 VanDerWaalsContact O-CG 3.25Å; E47-L81 WeakPolarHBondContact O-CG 3.35Å; E47-L81 PolarHBondContact O-N 2.81Å; V49-L81 HydrophobicContact CG2-CD2 3.86Å; L52-L81 HydrophobicContact CB-CD1 4.19Å; L52-L81 HydrophobicContact CD2-CD1 4.14Å; L52-L81 HydrophobicContact CD2-CD2 3.71Å; L76-L81 HydrophobicContact CD1-CD2 4.48Å; L81-D83 PolarHBondContact O-N 3.36Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-L84 VanDerWaalsContact O-N 3.13Å; L81-I86 HydrophobicContact CB-CB 4.14Å; L81-I86 HydrophobicContact CB-CD1 4.39Å; L81-I86 HydrophobicContact CB-CG2 4.37Å; L81-I86 HydrophobicContact CD2-CD1 3.66Å; L81-I86 VanDerWaalsContact O-CB 3.28Å; L81-I86 WeakPolarHBondContact O-CB 3.35Å; L81-I86 PolarHBondContact O-N 2.83Å; L81-I86 VanDerWaalsContact O-N 3.11Å
82Q91.5Very high90.6Very high72 Ų7270.9 Ų70.934%0.33639%0.389SS..G310 helixtrans-59.3-42.6177.7-65.1-178.882.300112.8Q45 L84 G85Q45-Q82 HydrophobicContact CG-CG 4.36Å; Q45-Q82 PolarHBondContact O-NE2 2.96Å; Q82-L84 PolarHBondContact O-N 2.92Å; Q82-L84 VanDerWaalsContact O-N 3.13Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 2.84Å
83D90.8Very high90.8Very high119 Ų11965.6 Ų65.664%0.63637%0.371SS*.G310 helixtrans-57.9-28.3177.7-49.3-11.8000112.4K80 L81 G85K80-D83 WeakPolarHBondContact CB-OD2 3.48Å; L81-D83 PolarHBondContact O-N 3.36Å; D83-G85 VanDerWaalsContact C-N 3.28Å
84L87.6Confident91.3Very high68 Ų6857 Ų5736%0.35633%0.331SS..G310 helixtrans-92.814.7178.6-54.1178.7000112.4V49 H71 L76 L81 Q82 I86V49-L84 HydrophobicContact CG2-CD1 3.53Å; H71-L84 PolarHBondContact ND1-O 2.78Å; L76-L84 HydrophobicContact CD2-CB 4.43Å; L76-L84 HydrophobicContact CD2-CD1 3.91Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-L84 VanDerWaalsContact O-N 3.13Å; Q82-L84 PolarHBondContact O-N 2.92Å; Q82-L84 VanDerWaalsContact O-N 3.13Å; L84-I86 VanDerWaalsContact C-N 3.29Å; L84-I86 HydrophobicContact CB-CD1 4.15Å; L84-I86 HydrophobicContact CB-CG1 4.39Å; L84-I86 PolarHBondContact O-N 3.1Å
85G89.2Confident91.5Very high45 Ų4555 Ų5546%0.46432%0.319SS..THydrogen-bonded Turntrans68.522.6179.600000114.3H71 Q82 D83H71-G85 PolarHBondContact CE1-O 3.1Å; Q82-G85 WeakPolarHBondContact O-CA 3.45Å; Q82-G85 PolarHBondContact O-N 2.84Å; D83-G85 VanDerWaalsContact C-N 3.28Å
86I93.4Very high91.2Very high1 Ų149.3 Ų49.31%0.00530%0.303CS..  trans-94.7106179.6-55.7165.4000108.3L29 H71 L76 L81 L84 L92L29-I86 HydrophobicContact CD1-CG2 4.03Å; L29-I86 HydrophobicContact CD2-CG2 3.7Å; H71-I86 HydrophobicContact CB-CD1 4.31Å; H71-I86 HydrophobicContact CB-CG1 4.24Å; H71-I86 WeakPolarHBondContact ND1-CG1 3.15Å; L76-I86 HydrophobicContact CD1-CD1 3.48Å; L76-I86 VanDerWaalsContact CD1-CD1 3.48Å; L76-I86 HydrophobicContact CD2-CD1 3.85Å; L76-I86 HydrophobicContact CG-CD1 4.34Å; L81-I86 HydrophobicContact CB-CB 4.14Å; L81-I86 HydrophobicContact CB-CD1 4.39Å; L81-I86 HydrophobicContact CB-CG2 4.37Å; L81-I86 HydrophobicContact CD2-CD1 3.66Å; L81-I86 VanDerWaalsContact O-CB 3.28Å; L81-I86 WeakPolarHBondContact O-CB 3.35Å; L81-I86 PolarHBondContact O-N 2.83Å; L81-I86 VanDerWaalsContact O-N 3.11Å; L84-I86 VanDerWaalsContact C-N 3.29Å; L84-I86 HydrophobicContact CB-CD1 4.15Å; L84-I86 HydrophobicContact CB-CG1 4.39Å; L84-I86 PolarHBondContact O-N 3.1Å; I86-L92 HydrophobicContact CD1-CD2 4.1Å; I86-L92 HydrophobicContact CG1-CD2 4.33Å; I86-L92 HydrophobicContact CG2-CD2 4.47Å
87S92.1Very high90.8Very high71 Ų7150.6 Ų50.650%0.49731%0.311SS..  trans-102.5-180174.364.50000112L29 S90L29-S87 VanDerWaalsContact CD2-O 3.32Å; L29-S87 WeakPolarHBondContact CD2-O 3.39Å; S87-S90 PolarHBondContact N-OG 3.35Å; S87-S90 WeakPolarHBondContact O-CB 3.45Å; S87-S90 PolarHBondContact O-N 3.11Å; S87-S90 VanDerWaalsContact O-N 3.14Å; S87-S90 PolarHBondContact O-OG 2.64Å; S87-S90 PolarHBondContact OG-OG 3.41Å
88D93.8Very high89.9Confident92 Ų9251.3 Ų51.349%0.49231%0.312SS..THydrogen-bonded Turntrans-48.1146.1159-173.266.5000111.9M27 N28 S90M27-D88 HydrophobicContact CB-CB 3.9Å; N28-D88 PolarHBondContact N-OD1 3.4Å; N28-D88 PolarHBondContact ND2-OD1 2.86Å; N28-D88 VanDerWaalsContact ND2-OD1 3.12Å; D88-S90 PolarHBondContact O-N 2.91Å
89G92.2Very high88.5Confident36 Ų3654.8 Ų54.837%0.37132%0.32SS..THydrogen-bonded Turntrans71.8-3.2-174.100000115.3N28 K91N28-G89 PolarHBondContact O-N 3.46Å; G89-K91 PolarHBondContact O-N 3.21Å
90S94.8Very high86.4Confident13 Ų1356.7 Ų56.79%0.09133%0.333CS..  trans-68132.4-174.4-66.80000112.8Y30 S87 D88Y30-S90 PolarHBondContact N-O 3.1Å; S87-S90 PolarHBondContact N-OG 3.35Å; S87-S90 WeakPolarHBondContact O-CB 3.45Å; S87-S90 PolarHBondContact O-N 3.11Å; S87-S90 VanDerWaalsContact O-N 3.14Å; S87-S90 PolarHBondContact O-OG 2.64Å; S87-S90 PolarHBondContact OG-OG 3.41Å; D88-S90 PolarHBondContact O-N 2.91Å
91K94.9Very high84.2Confident120 Ų12056.6 Ų56.652%0.52235%0.352SS..EExtended strand (participates in β ladder)trans-91.4121.9179.2174.6162.7172.2157.80111.1H32 G89H32-K91 PolarHBondContact CD2-NZ 3.12Å; H32-K91 VanDerWaalsContact CE1-CE 3.47Å; H32-K91 WeakPolarHBondContact CE1-CE 3.32Å; H32-K91 WeakPolarHBondContact NE2-CE 3.44Å; H32-K91 PolarHBondContact NE2-NZ 2.69Å; G89-K91 PolarHBondContact O-N 3.21Å
92L95.7Very high82.1Confident0 Ų062.3 Ų62.30%038%0.382CS..EExtended strand (participates in β ladder)trans-115.4132.3178.2-60.1-175.6000110.8L29 Y30 I31 H32 L52 L70 H71 L76 I86L29-L92 HydrophobicContact CD1-CD1 3.9Å; Y30-L92 PolarHBondContact O-N 3.03Å; Y30-L92 VanDerWaalsContact O-N 3.08Å; I31-L92 HydrophobicContact CD1-CB 4.1Å; I31-L92 HydrophobicContact CD1-CD1 4.12Å; H32-L92 PolarHBondContact N-O 3.04Å; L52-L92 HydrophobicContact CD2-CD1 3.57Å; L70-L92 WeakPolarHBondContact O-CA 3.49Å; H71-L92 HydrophobicContact CB-CD2 3.57Å; L76-L92 HydrophobicContact CD1-CD1 4.3Å; L76-L92 HydrophobicContact CD1-CD2 4.18Å; I86-L92 HydrophobicContact CD1-CD2 4.1Å; I86-L92 HydrophobicContact CG1-CD2 4.33Å; I86-L92 HydrophobicContact CG2-CD2 4.47Å
93T93.6Very high80.1Confident55 Ų5566.4 Ų66.434%0.33740%0.403SS..EExtended strand (participates in β ladder)trans-89.3124.4170.2-61.10000109.1H32 T34 L69 L70 V95H32-T93 CarbonylContact O-C 3.47Å; H32-T93 WeakPolarHBondContact O-CA 3.31Å; T34-T93 HydrophobicContact CG2-CG2 4.19Å; L69-T93 CarbonylContact C-O 3.54Å; L69-T93 WeakPolarHBondContact CA-O 3.45Å; L70-T93 PolarHBondContact N-O 3.32Å; L70-T93 PolarHBondContact O-N 3.5Å; T93-V95 HydrophobicContact CG2-CG2 4.21Å
94L94.1Very high78Confident2 Ų263.2 Ų63.21%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-96.1124.8172.2175.867.7000109.7I31 H32 S33 T34 L60 L67 L69I31-L94 HydrophobicContact CG2-CB 3.98Å; I31-L94 HydrophobicContact CG2-CD2 4.42Å; H32-L94 PolarHBondContact O-N 2.86Å; S33-L94 CarbonylContact C-O 3.53Å; S33-L94 WeakPolarHBondContact CA-O 3.43Å; T34-L94 PolarHBondContact N-O 3.41Å; L60-L94 HydrophobicContact CD1-CD2 3.33Å; L67-L94 HydrophobicContact CB-CD1 3.93Å; L67-L94 HydrophobicContact CD2-CD1 3.89Å; L67-L94 HydrophobicContact CD2-CD2 4.29Å; L67-L94 HydrophobicContact CG-CD1 4.4Å; L69-L94 HydrophobicContact CD2-CB 4.1Å; L69-L94 HydrophobicContact CD2-CD1 3.73Å; L69-L94 HydrophobicContact CG-CD1 4.24Å
95V90.6Very high76.1Confident46 Ų4665.8 Ų65.828%0.27940%0.4SS..EExtended strand (participates in β ladder)trans-115.6118.9175.5179.10000108T34 A68 L70 T93 T97T34-V95 HydrophobicContact CG2-CG2 3.84Å; A68-V95 HydrophobicContact CB-CB 4.32Å; A68-V95 PolarHBondContact N-O 3.04Å; A68-V95 PolarHBondContact O-N 3.11Å; L70-V95 HydrophobicContact CD1-CB 4.2Å; L70-V95 HydrophobicContact CD1-CG2 3.54Å; T93-V95 HydrophobicContact CG2-CG2 4.21Å; V95-T97 PolarHBondContact O-N 3.09Å
96P83.8Confident74Confident41 Ų4165.8 Ų65.827%0.26640%0.396SS..EExtended strand (participates in β ladder)trans-63.7116.2169.3-19.431.9000109.9T34 T35 R66 V98T34-P96 VanDerWaalsContact OG1-CD 3.23Å; T34-P96 WeakPolarHBondContact OG1-CD 3.48Å; T35-P96 HydrophobicContact CG2-CG 3.86Å; R66-P96 CarbonylContact O-C 3.53Å; R66-P96 WeakPolarHBondContact O-CA 3.45Å; P96-V98 PolarHBondContact O-N 3.22Å
97T81.9Confident72.1Confident30 Ų3070.1 Ų70.118%0.18443%0.427CS..  trans-75.993.4165.9290000108.3E65 R66 L67 A68 V95E65-T97 PolarHBondContact O-OG1 2.92Å; E65-T97 VanDerWaalsContact O-OG1 3.1Å; R66-T97 WeakPolarHBondContact CA-OG1 3.1Å; R66-T97 PolarHBondContact O-N 3.38Å; R66-T97 PolarHBondContact O-OG1 3.43Å; L67-T97 PolarHBondContact N-OG1 2.9Å; A68-T97 HydrophobicContact CB-CG2 3.95Å; V95-T97 PolarHBondContact O-N 3.09Å
98V63.8Low70.6Confident97 Ų9773.2 Ų73.259%0.58843%0.428SS*.  trans-73.8125.1159.8-73.70000108.4P96 A100P96-V98 PolarHBondContact O-N 3.22Å; V98-A100 HydrophobicContact CG2-CB 4.49Å; V98-A100 PolarHBondContact O-N 3.06Å
99E56.9Low68.9Low137 Ų13770.6 Ų70.664%0.6442%0.416SS*.  trans-74.773.4165.8-75.9-150.2111.600109.9G101E99-G101 PolarHBondContact O-N 3.43Å
100A47.1Very low68Low74 Ų7474 Ų7461%0.61242%0.422SS*.  trans-75.254.1166.600000110.6V98 L102V98-A100 HydrophobicContact CG2-CB 4.49Å; V98-A100 PolarHBondContact O-N 3.06Å; A100-L102 PolarHBondContact O-N 2.79Å
101G48.3Very low67.2Low69 Ų6977.4 Ų77.471%0.71144%0.436SS*.SBendtrans61.7-6.1170.800000118.7E99E99-G101 PolarHBondContact O-N 3.43Å
102L47.4Very low66.5Low120 Ų12072.3 Ų72.363%0.62842%0.416SS*.SBendtrans-120.2-31.2-162.2-76.1161000115.6A100A100-L102 PolarHBondContact O-N 2.79Å
103M50.1Low66Low159 Ų15973 Ų7378%0.78342%0.42SS*.SBendtrans-137.969.5-163.4-54.3-166.591.600115.1
104S46.6Very low65.6Low52 Ų5274.8 Ų74.836%0.36443%0.426SS..SBendtrans-162.6-36.2153.1-84.90000114.8A106 S107S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.1Å; S104-S107 PolarHBondContact O-N 3.4Å; S104-S107 PolarHBondContact O-OG 3.43Å
105Q47.4Very low65.3Low121 Ų12179.4 Ų79.457%0.56545%0.447SS*.G310 helixtrans-59.2-20.8175.6-75.8-168.5-31.600114.4S107Q105-S107 PolarHBondContact O-N 3.2Å
106A45.9Very low65.2Low45 Ų4577.6 Ų77.637%0.37244%0.437SS..G310 helixtrans-67.73.8178.100000115.2S104S104-A106 PolarHBondContact O-N 2.96Å; S104-A106 VanDerWaalsContact O-N 3.1Å
107S52.3Low65.5Low93 Ų9376 Ų7665%0.6543%0.426SS*.G310 helixtrans-86.5-9.6-173.354.70000115.4S104 Q105S104-S107 PolarHBondContact O-N 3.4Å; S104-S107 PolarHBondContact O-OG 3.43Å; Q105-S107 PolarHBondContact O-N 3.2Å
108R60.8Low65.8Low136 Ų13681.6 Ų81.651%0.51345%0.45SS..  trans-140.2115.4175.9-75.4-178176.4-98.61.2111.9E110 Q111R108-E110 HydrophobicContact CB-CB 4.41Å; R108-E110 VanDerWaalsContact CD-OE2 3.32Å; R108-E110 WeakPolarHBondContact CD-OE2 3.23Å; R108-E110 IonicContact CZ-OE2 2.65Å; R108-E110 IonicContact NE-OE2 3.12Å; R108-E110 IonicContact NH1-OE1 3.89Å; R108-E110 IonicContact NH1-OE2 3.59Å; R108-E110 PolarHBondContact NH1-OE2 2.85Å; R108-E110 PolarHBondContact O-N 3.17Å; R108-Q111 HydrophobicContact CB-CB 4.3Å; R108-Q111 HydrophobicContact CB-CG 3.92Å; R108-Q111 WeakPolarHBondContact O-CB 3.32Å; R108-Q111 PolarHBondContact O-N 3.22Å
109P59.7Low67Low37 Ų3781.2 Ų81.224%0.2445%0.452CS..Hα-helixtrans-56.3-32.9170.9-22.631.9000112.6Q111 S112 V113 T399P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 3.19Å; P109-S112 PolarHBondContact O-N 2.86Å; P109-S112 VanDerWaalsContact O-N 3.1Å; P109-V113 PolarHBondContact O-N 3.23Å; P109-T399 HydrophobicContact CB-CG2 4.08Å; P109-T399 HydrophobicContact CG-CG2 3.55Å
110E71.3Confident68.6Low108 Ų10875.7 Ų75.751%0.50543%0.426SS..Hα-helixtrans-51.2-43.2173.3-56158.5149.500111.7R108 V113 M114R108-E110 HydrophobicContact CB-CB 4.41Å; R108-E110 VanDerWaalsContact CD-OE2 3.32Å; R108-E110 WeakPolarHBondContact CD-OE2 3.23Å; R108-E110 IonicContact CZ-OE2 2.65Å; R108-E110 IonicContact NE-OE2 3.12Å; R108-E110 IonicContact NH1-OE1 3.89Å; R108-E110 IonicContact NH1-OE2 3.59Å; R108-E110 PolarHBondContact NH1-OE2 2.85Å; R108-E110 PolarHBondContact O-N 3.17Å; E110-V113 PolarHBondContact O-N 3.49Å; E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 2.81Å
111Q78.6Confident70.9Confident84 Ų8475.5 Ų75.539%0.39342%0.418SS..Hα-helixtrans-68.2-37.6179.3-71.7179.7-22.800112R108 P109 M114 Q115R108-Q111 HydrophobicContact CB-CB 4.3Å; R108-Q111 HydrophobicContact CB-CG 3.92Å; R108-Q111 WeakPolarHBondContact O-CB 3.32Å; R108-Q111 PolarHBondContact O-N 3.22Å; P109-Q111 VanDerWaalsContact C-N 3.25Å; P109-Q111 PolarHBondContact O-N 3.19Å; Q111-M114 HydrophobicContact CG-CE 4.17Å; Q111-M114 PolarHBondContact O-N 2.72Å; Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.47Å
112S81.3Confident73Confident13 Ų1379.8 Ų79.89%0.09142%0.42CS..Hα-helixtrans-72.2-31.1175.4-176.50000113P109 A116 R140P109-S112 PolarHBondContact O-N 2.86Å; P109-S112 VanDerWaalsContact O-N 3.1Å; S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.3Å; S112-R140 VanDerWaalsContact CB-O 3.24Å; S112-R140 WeakPolarHBondContact CB-O 3.38Å; S112-R140 PolarHBondContact OG-N 2.93Å; S112-R140 PolarHBondContact OG-O 2.99Å
113V84.3Confident75.2Confident15 Ų1578.4 Ų78.49%0.09142%0.416CS..Hα-helixtrans-67.1-46.2173.1174.40000109.7P109 E110 A116 L117 L139 L372 L375P109-V113 PolarHBondContact O-N 3.23Å; E110-V113 PolarHBondContact O-N 3.49Å; V113-A116 PolarHBondContact O-N 3.38Å; V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 WeakPolarHBondContact O-CB 3.3Å; V113-L117 VanDerWaalsContact O-CG 3.25Å; V113-L117 WeakPolarHBondContact O-CG 3.03Å; V113-L117 PolarHBondContact O-N 2.92Å; V113-L139 HydrophobicContact CG2-CD1 4.39Å; V113-L139 HydrophobicContact CG2-CD2 4.1Å; V113-L372 HydrophobicContact CG1-CD1 3.82Å; V113-L375 HydrophobicContact CG1-CD1 4.04Å
114M86.1Confident77.3Confident92 Ų9275 Ų7545%0.45340%0.398SS..Hα-helixtrans-59.2-49.3174.3-68.6-175.6-5900111.7E110 Q111 A116 L117 E118E110-M114 WeakPolarHBondContact O-CG 3.49Å; E110-M114 PolarHBondContact O-N 2.81Å; Q111-M114 HydrophobicContact CG-CE 4.17Å; Q111-M114 PolarHBondContact O-N 2.72Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.93Å; M114-L117 CarbonylContact O-C 3.59Å; M114-L117 WeakPolarHBondContact O-CA 3.36Å; M114-L117 PolarHBondContact O-N 3.31Å; M114-E118 VanDerWaalsContact O-CG 3.3Å; M114-E118 WeakPolarHBondContact O-CG 3.1Å; M114-E118 PolarHBondContact O-N 3.32Å
115Q86.9Confident79.6Confident99 Ų9972.6 Ų72.646%0.46338%0.381SS..Hα-helixtrans-59.1-36.3178.3-174.1177.539.600113.5Q111Q111-Q115 VanDerWaalsContact O-CB 3.28Å; Q111-Q115 WeakPolarHBondContact O-CB 3.37Å; Q111-Q115 PolarHBondContact O-N 3.47Å
116A87.9Confident81.7Confident8 Ų868.5 Ų68.57%0.06637%0.366CS..Hα-helixtrans-70-38.8174.500000111.9S112 V113 M114 S119 L139S112-A116 WeakPolarHBondContact O-CB 3.45Å; S112-A116 PolarHBondContact O-N 3.3Å; V113-A116 PolarHBondContact O-N 3.38Å; M114-A116 VanDerWaalsContact C-N 3.3Å; M114-A116 PolarHBondContact O-N 2.93Å; A116-S119 PolarHBondContact O-N 2.77Å; A116-S119 PolarHBondContact O-OG 2.74Å; A116-L139 HydrophobicContact CB-CD2 3.63Å
117L90Very high84Confident7 Ų768.3 Ų68.34%0.03736%0.359CS..Hα-helixtrans-71.3-34.1176.9-67.8175.8000113V113 M114 S119 L120 I368 I371 L372 L375V113-L117 HydrophobicContact CG1-CD1 3.95Å; V113-L117 HydrophobicContact CG1-CG 4.46Å; V113-L117 WeakPolarHBondContact O-CB 3.3Å; V113-L117 VanDerWaalsContact O-CG 3.25Å; V113-L117 WeakPolarHBondContact O-CG 3.03Å; V113-L117 PolarHBondContact O-N 2.92Å; M114-L117 CarbonylContact O-C 3.59Å; M114-L117 WeakPolarHBondContact O-CA 3.36Å; M114-L117 PolarHBondContact O-N 3.31Å; L117-S119 PolarHBondContact O-N 2.7Å; L117-L120 HydrophobicContact CD2-CD1 3.71Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.1Å; L117-I368 HydrophobicContact CB-CG2 3.77Å; L117-I368 HydrophobicContact CD1-CG2 4.1Å; L117-I368 HydrophobicContact CD2-CG2 4.33Å; L117-I368 HydrophobicContact CG-CG2 4.28Å; L117-I371 HydrophobicContact CD2-CB 4.11Å; L117-I371 HydrophobicContact CD2-CG2 3.59Å; L117-L372 HydrophobicContact CD1-CB 3.95Å; L117-L372 HydrophobicContact CD1-CD1 3.78Å; L117-L372 HydrophobicContact CD1-CG 4.43Å; L117-L375 HydrophobicContact CD1-CD1 4.42Å; L117-L375 HydrophobicContact CD2-CD1 4.14Å
118E88.6Confident86Confident148 Ų14864 Ų6469%0.69233%0.328SS*.Hα-helixtrans-59.1-25.3172.1-75.6162.2-155.600112.7M114M114-E118 VanDerWaalsContact O-CG 3.3Å; M114-E118 WeakPolarHBondContact O-CG 3.1Å; M114-E118 PolarHBondContact O-N 3.32Å
119S88.3Confident87.5Confident89 Ų8958.4 Ų58.462%0.62231%0.309SS*.THydrogen-bonded Turntrans-83.8-6.1177.877.60000114.5A116 L117A116-S119 PolarHBondContact O-N 2.77Å; A116-S119 PolarHBondContact O-OG 2.74Å; L117-S119 PolarHBondContact O-N 2.7Å
120L92.6Very high89Confident20 Ų2059.2 Ų59.211%0.10532%0.315CS..  trans-86.1137.6-177.7-60-177.3000112.3L117 V125 L135 L137L117-L120 HydrophobicContact CD2-CD1 3.71Å; L117-L120 WeakPolarHBondContact O-CB 3.13Å; L117-L120 PolarHBondContact O-N 2.94Å; L117-L120 VanDerWaalsContact O-N 3.1Å; L120-V125 HydrophobicContact CB-CG2 4.17Å; L120-V125 HydrophobicContact CD1-CG2 4.22Å; L120-L135 HydrophobicContact CD1-CD1 4.02Å; L120-L135 HydrophobicContact CD1-CD2 4.28Å; L120-L135 HydrophobicContact CD2-CD1 3.76Å; L120-L137 HydrophobicContact CD1-CD2 4Å; L120-L137 HydrophobicContact CD2-CD2 3.88Å; L120-L137 HydrophobicContact CG-CD2 4.31Å
121T93.8Very high90Very high71 Ų7155.9 Ų55.944%0.43631%0.309SS..  trans-83.3153.8168.470.20000111.5T123 Q124 V125T121-T123 PolarHBondContact O-N 3.18Å; T121-Q124 PolarHBondContact O-N 2.93Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.29Å; T121-Q124 PolarHBondContact OG1-N 2.82Å; T121-V125 PolarHBondContact O-N 3.23Å; T121-V125 VanDerWaalsContact O-N 3.09Å
122E93Very high90.6Very high159 Ų15961 Ų6174%0.74333%0.325SS*.Hα-helixtrans-53.7-37.2171.8-172.3-176168.300111.7Q124 V125 S126E122-Q124 PolarHBondContact O-N 2.95Å; E122-V125 PolarHBondContact O-N 3.01Å; E122-S126 WeakPolarHBondContact O-CB 3Å; E122-S126 PolarHBondContact O-N 3.42Å
123T93.7Very high91.2Very high90 Ų9062.1 Ų62.155%0.55233%0.333SS*.Hα-helixtrans-58.6-47.5174.3-39.10000112T121 V125 S126 D127T121-T123 PolarHBondContact O-N 3.18Å; T123-V125 PolarHBondContact O-N 3.34Å; T123-S126 PolarHBondContact O-N 3.1Å; T123-D127 WeakPolarHBondContact O-CB 3.39Å; T123-D127 PolarHBondContact O-N 3.49Å
124Q93.8Very high91.8Very high87 Ų8764.2 Ų64.241%0.40735%0.347SS..Hα-helixtrans-64.3-40.8178.8-72.2168.2-34.100112.1T121 E122 F128T121-Q124 PolarHBondContact O-N 2.93Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.29Å; T121-Q124 PolarHBondContact OG1-N 2.82Å; E122-Q124 PolarHBondContact O-N 2.95Å; Q124-F128 WeakPolarHBondContact O-CB 3.18Å; Q124-F128 PolarHBondContact O-N 3.33Å
125V94.5Very high92.3Very high2 Ų260.2 Ų60.21%0.01233%0.327CS..Hα-helixtrans-63.4-44.5175.3172.80000110.9L120 T121 E122 T123 L129 I368 I371L120-V125 HydrophobicContact CB-CG2 4.17Å; L120-V125 HydrophobicContact CD1-CG2 4.22Å; T121-V125 PolarHBondContact O-N 3.23Å; T121-V125 VanDerWaalsContact O-N 3.09Å; E122-V125 PolarHBondContact O-N 3.01Å; T123-V125 PolarHBondContact O-N 3.34Å; V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 VanDerWaalsContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 WeakPolarHBondContact O-CG 3.26Å; V125-L129 PolarHBondContact O-N 2.83Å; V125-I368 HydrophobicContact CG2-CG1 3.97Å; V125-I371 HydrophobicContact CG1-CD1 4.23Å; V125-I371 HydrophobicContact CG1-CG1 4.03Å; V125-I371 HydrophobicContact CG2-CG1 4.3Å
126S91.8Very high92.6Very high35 Ų3559.4 Ų59.425%0.24533%0.329CS..Hα-helixtrans-69.6-42.5-179.1-170.60000112.9E122 T123 S130 R366E122-S126 WeakPolarHBondContact O-CB 3Å; E122-S126 PolarHBondContact O-N 3.42Å; T123-S126 PolarHBondContact O-N 3.1Å; S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.17Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 3.13Å; S126-R366 WeakPolarHBondContact OG-CD 3.34Å
127D94Very high92.9Very high41 Ų4159.2 Ų59.222%0.21933%0.327CS..Hα-helixtrans-70.1-36.5177.3-76.4-33000111.8T123 S130 G131 R132 S133T123-D127 WeakPolarHBondContact O-CB 3.39Å; T123-D127 PolarHBondContact O-N 3.49Å; D127-S130 WeakPolarHBondContact CA-OG 3.42Å; D127-S130 PolarHBondContact O-OG 3.38Å; D127-G131 PolarHBondContact O-N 3.14Å; D127-R132 HydrophobicContact CB-CB 4.13Å; D127-R132 WeakPolarHBondContact O-CB 3.38Å; D127-R132 PolarHBondContact O-N 3.19Å; D127-R132 WeakPolarHBondContact OD1-CD 3.34Å; D127-R132 IonicContact OD1-CZ 3.45Å; D127-R132 IonicContact OD1-NE 3.79Å; D127-R132 IonicContact OD1-NH1 2.9Å; D127-R132 PolarHBondContact OD1-NH1 3.36Å; D127-S133 WeakPolarHBondContact CB-OG 3.43Å; D127-S133 PolarHBondContact O-N 3.31Å
128F95Very high92.9Very high2 Ų261.1 Ų61.11%0.00934%0.344CS..Hα-helixtrans-65-50.6171171.3-105.1000111.9Q124 S130 G131 L135 L150 L152 I371 I374Q124-F128 WeakPolarHBondContact O-CB 3.18Å; Q124-F128 PolarHBondContact O-N 3.33Å; F128-S130 PolarHBondContact O-N 3.42Å; F128-G131 PolarHBondContact O-N 2.87Å; F128-L135 HydrophobicContact CB-CB 4.02Å; F128-L135 HydrophobicContact CD1-CB 4.27Å; F128-L135 HydrophobicContact CD1-CD2 4.02Å; F128-L135 HydrophobicContact CD2-CB 3.47Å; F128-L135 VanDerWaalsContact CD2-CB 3.47Å; F128-L135 HydrophobicContact CE1-CD2 4.35Å; F128-L135 HydrophobicContact CE2-CB 3.98Å; F128-L135 HydrophobicContact CG-CB 3.64Å; F128-L135 HydrophobicContact CG-CD2 4.18Å; F128-L150 HydrophobicContact CE2-CB 3.7Å; F128-L150 HydrophobicContact CZ-CB 3.79Å; F128-L150 HydrophobicContact CZ-CD1 4.27Å; F128-L152 HydrophobicContact CE1-CD2 4.27Å; F128-L152 HydrophobicContact CE1-CG 4.47Å; F128-L152 HydrophobicContact CE2-CD2 4.22Å; F128-L152 HydrophobicContact CE2-CG 4.02Å; F128-L152 HydrophobicContact CZ-CD2 3.75Å; F128-L152 HydrophobicContact CZ-CG 3.98Å; F128-L152 VanDerWaalsContact O-CD1 3.24Å; F128-L152 WeakPolarHBondContact O-CD1 3.37Å; F128-I371 HydrophobicContact CD1-CD1 3.53Å; F128-I371 HydrophobicContact CE1-CD1 3.81Å; F128-I374 HydrophobicContact CE1-CD1 4.27Å
129L92.8Very high92.9Very high20 Ų2054.7 Ų54.711%0.10531%0.314CS..Hα-helixtrans-71.8-9.4-178.9-69.4172.3000114.1V125 R365 T370 I371 I374V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 VanDerWaalsContact O-CB 3.32Å; V125-L129 WeakPolarHBondContact O-CB 3.19Å; V125-L129 WeakPolarHBondContact O-CG 3.26Å; V125-L129 PolarHBondContact O-N 2.83Å; L129-R365 WeakPolarHBondContact CD1-O 3.48Å; L129-T370 HydrophobicContact CD1-CG2 4.22Å; L129-T370 HydrophobicContact CD2-CG2 4.14Å; L129-I371 HydrophobicContact CD1-CD1 3.81Å; L129-I371 HydrophobicContact CD2-CD1 3.94Å; L129-I371 HydrophobicContact CG-CD1 3.77Å; L129-I374 HydrophobicContact CD2-CD1 4.04Å
130S91Very high92.6Very high54 Ų5454.4 Ų54.438%0.37830%0.299SS..THydrogen-bonded Turntrans-100.56.3166.858.70000113.7S126 D127 F128 R132S126-S130 VanDerWaalsContact O-CB 3.31Å; S126-S130 WeakPolarHBondContact O-CB 3.17Å; S126-S130 PolarHBondContact O-N 3.19Å; S126-S130 PolarHBondContact O-OG 3.13Å; D127-S130 WeakPolarHBondContact CA-OG 3.42Å; D127-S130 PolarHBondContact O-OG 3.38Å; F128-S130 PolarHBondContact O-N 3.42Å; S130-R132 VanDerWaalsContact C-N 3.28Å; S130-R132 PolarHBondContact O-N 2.73Å; S130-R132 WeakPolarHBondContact OG-CD 3.23Å
131G91.4Very high91.9Very high37 Ų3754.2 Ų54.238%0.38130%0.299SS..THydrogen-bonded Turntrans73.611.717600000115.2D127 F128D127-G131 PolarHBondContact O-N 3.14Å; F128-G131 PolarHBondContact O-N 2.87Å
132R92.4Very high91.1Very high193 Ų19351.2 Ų51.273%0.72828%0.283SS*.SBendtrans-79.9-28.2-177-66.6171.4167.9-176.8-4113.6D127 S130D127-R132 HydrophobicContact CB-CB 4.13Å; D127-R132 WeakPolarHBondContact O-CB 3.38Å; D127-R132 PolarHBondContact O-N 3.19Å; D127-R132 WeakPolarHBondContact OD1-CD 3.34Å; D127-R132 IonicContact OD1-CZ 3.45Å; D127-R132 IonicContact OD1-NE 3.79Å; D127-R132 IonicContact OD1-NH1 2.9Å; D127-R132 PolarHBondContact OD1-NH1 3.36Å; S130-R132 VanDerWaalsContact C-N 3.28Å; S130-R132 PolarHBondContact O-N 2.73Å; S130-R132 WeakPolarHBondContact OG-CD 3.23Å
133S93.9Very high90.3Very high36 Ų3649.9 Ų49.925%0.25228%0.28SS..SBendtrans-143.7151-177.160.20000112.7D127D127-S133 WeakPolarHBondContact CB-OG 3.43Å; D127-S133 PolarHBondContact O-N 3.31Å
134P95.5Very high89.4Confident59 Ų5952.1 Ų52.138%0.38328%0.284SS..  trans-72.8143.8165.728.8-32.7000110.8Q149 L150P134-Q149 HydrophobicContact CB-CG 4.16Å; P134-L150 CarbonylContact C-O 3.49Å; P134-L150 VanDerWaalsContact CA-O 3.3Å; P134-L150 WeakPolarHBondContact CA-O 3.49Å
135L96.3Very high89.1Confident8 Ų853 Ų534%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-99.9118.3174.6-179.662.7000109.7L120 F128 L137 Q149 L150 I371L120-L135 HydrophobicContact CD1-CD1 4.02Å; L120-L135 HydrophobicContact CD1-CD2 4.28Å; L120-L135 HydrophobicContact CD2-CD1 3.76Å; F128-L135 HydrophobicContact CB-CB 4.02Å; F128-L135 HydrophobicContact CD1-CB 4.27Å; F128-L135 HydrophobicContact CD1-CD2 4.02Å; F128-L135 HydrophobicContact CD2-CB 3.47Å; F128-L135 VanDerWaalsContact CD2-CB 3.47Å; F128-L135 HydrophobicContact CE1-CD2 4.35Å; F128-L135 HydrophobicContact CE2-CB 3.98Å; F128-L135 HydrophobicContact CG-CB 3.64Å; F128-L135 HydrophobicContact CG-CD2 4.18Å; L135-L137 HydrophobicContact CD1-CD2 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.29Å; L135-L137 HydrophobicContact CG-CD2 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L135-Q149 CarbonylContact O-C 3.58Å; L135-Q149 WeakPolarHBondContact O-CA 3.45Å; L135-L150 PolarHBondContact N-O 2.57Å; L135-L150 PolarHBondContact O-N 3.05Å; L135-I371 HydrophobicContact CD2-CD1 4.2Å; L135-I371 HydrophobicContact CD2-CG2 3.71Å
136T94.9Very high88.7Confident81 Ų8155.7 Ų55.750%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-110.4121.3178.2-56.20000110.5V148T136-V148 WeakPolarHBondContact CA-O 3.4Å
137L93.7Very high88.6Confident5 Ų560.8 Ų60.83%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-113.5141.6-178.9-53.6179000110.7L120 L135 F147 V148 L375L120-L137 HydrophobicContact CD1-CD2 4Å; L120-L137 HydrophobicContact CD2-CD2 3.88Å; L120-L137 HydrophobicContact CG-CD2 4.31Å; L135-L137 HydrophobicContact CD1-CD2 4.05Å; L135-L137 HydrophobicContact CD2-CD2 4.29Å; L135-L137 HydrophobicContact CG-CD2 3.96Å; L135-L137 HydrophobicContact CG-CG 4.28Å; L137-F147 WeakPolarHBondContact O-CA 3.2Å; L137-V148 PolarHBondContact N-O 3.04Å; L137-V148 PolarHBondContact O-N 3.36Å; L137-L375 HydrophobicContact CD1-CD1 3.68Å; L137-L375 HydrophobicContact CD1-CD2 4.02Å; L137-L375 HydrophobicContact CD1-CG 4.41Å
138A90.5Very high88.5Confident47 Ų4760.1 Ų60.139%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-105.3108.2171.600000109.3M145 F147A138-M145 HydrophobicContact CB-CE 4.07Å; A138-F147 HydrophobicContact CB-CD1 3.96Å; A138-F147 HydrophobicContact CB-CE1 3.69Å
139L87.6Confident88.5Confident12 Ų1266.3 Ų66.36%0.06335%0.347CS..EExtended strand (participates in β ladder)trans-105.5133.4-179.8-57.3-179.3000109.9V113 A116 M146 V148V113-L139 HydrophobicContact CG2-CD1 4.39Å; V113-L139 HydrophobicContact CG2-CD2 4.1Å; A116-L139 HydrophobicContact CB-CD2 3.63Å; L139-M146 HydrophobicContact CB-CB 4.41Å; L139-M146 PolarHBondContact N-O 3.08Å; L139-M146 PolarHBondContact O-N 3.14Å; L139-V148 HydrophobicContact CD1-CG2 3.75Å; L139-V148 HydrophobicContact CG-CG2 4.36Å
140R82.1Confident88.5Confident83 Ų8366.5 Ų66.531%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-100.2118.5174.3-172.9175.6-179.8178.51.7109.6S112 G142 H144 M145S112-R140 VanDerWaalsContact CB-O 3.24Å; S112-R140 WeakPolarHBondContact CB-O 3.38Å; S112-R140 PolarHBondContact OG-N 2.93Å; S112-R140 PolarHBondContact OG-O 2.99Å; R140-G142 WeakPolarHBondContact CG-O 3.47Å; R140-G142 PolarHBondContact NE-O 3.01Å; R140-H144 WeakPolarHBondContact CA-O 3.23Å; R140-M145 HydrophobicContact CB-SD 3.87Å; R140-M145 HydrophobicContact CG-SD 4Å
141V79.1Confident88.7Confident16 Ų1668.9 Ų68.910%0.09735%0.353CS..EExtended strand (participates in β ladder)trans-121.595.9178.3-174.10000107.2D143 H144 L395 Q398V141-D143 PolarHBondContact O-N 3.3Å; V141-H144 PolarHBondContact N-O 3.3Å; V141-H144 PolarHBondContact O-N 3.28Å; V141-H144 VanDerWaalsContact O-N 3.08Å; V141-L395 HydrophobicContact CG1-CD2 4.05Å; V141-L395 HydrophobicContact CG1-CG 4.12Å; V141-L395 HydrophobicContact CG2-CD2 4.25Å; V141-Q398 PolarHBondContact O-OE1 2.85Å
142G76.6Confident88.7Confident9 Ų969.7 Ų69.79%0.09335%0.348CS..THydrogen-bonded Turntrans65.2-124.4-170.500000111.6R140 H144 Q398R140-G142 WeakPolarHBondContact CG-O 3.47Å; R140-G142 PolarHBondContact NE-O 3.01Å; G142-H144 VanDerWaalsContact C-N 3.33Å; G142-Q398 VanDerWaalsContact CA-OE1 3.25Å
143D75.4Confident88.3Confident131 Ų13164.8 Ų64.870%0.70135%0.35SS*.THydrogen-bonded Turntrans-90.87.7175.9-59.3-45.5000113.1V141V141-D143 PolarHBondContact O-N 3.3Å
144H75.8Confident87.3Confident136 Ų13667.7 Ų67.763%0.6338%0.375SS*.EExtended strand (participates in β ladder)trans-109.7136.7-179.1-60.1-28.7000112R140 V141 G142R140-H144 WeakPolarHBondContact CA-O 3.23Å; V141-H144 PolarHBondContact N-O 3.3Å; V141-H144 PolarHBondContact O-N 3.28Å; V141-H144 VanDerWaalsContact O-N 3.08Å; G142-H144 VanDerWaalsContact C-N 3.33Å
145M86.1Confident85.6Confident105 Ų10572.9 Ų72.952%0.51740%0.395SS..EExtended strand (participates in β ladder)trans-95.2120.6169-65.9-60.7-62.100109.1A138 R140 F147A138-M145 HydrophobicContact CB-CE 4.07Å; R140-M145 HydrophobicContact CB-SD 3.87Å; R140-M145 HydrophobicContact CG-SD 4Å; M145-F147 HydrophobicContact CB-CE2 4.07Å; M145-F147 HydrophobicContact CB-CZ 4.42Å
146M86Confident83.3Confident59 Ų5981.6 Ų81.629%0.29144%0.435SS..EExtended strand (participates in β ladder)trans-104.8128.5172.7-179.5-175.7-169.100108.6L139 V148 L395L139-M146 HydrophobicContact CB-CB 4.41Å; L139-M146 PolarHBondContact N-O 3.08Å; L139-M146 PolarHBondContact O-N 3.14Å; M146-V148 HydrophobicContact CE-CG2 3.95Å; M146-V148 HydrophobicContact CG-CG2 4.04Å; M146-V148 HydrophobicContact SD-CG2 4.07Å; M146-L395 HydrophobicContact CE-CD1 4.22Å; M146-L395 HydrophobicContact SD-CD1 3.69Å
147F91Very high80.9Confident143 Ų14383 Ų8363%0.62745%0.448SS*.EExtended strand (participates in β ladder)trans-103.3124.3172.9-64.6-86.1000109L137 A138 M145L137-F147 WeakPolarHBondContact O-CA 3.2Å; A138-F147 HydrophobicContact CB-CD1 3.96Å; A138-F147 HydrophobicContact CB-CE1 3.69Å; M145-F147 HydrophobicContact CB-CE2 4.07Å; M145-F147 HydrophobicContact CB-CZ 4.42Å
148V91.4Very high78.3Confident26 Ų2686.7 Ų86.716%0.15849%0.487CS..EExtended strand (participates in β ladder)trans-114.4109-179-176.90000108.2T136 L137 L139 M146 L150T136-V148 WeakPolarHBondContact CA-O 3.4Å; L137-V148 PolarHBondContact N-O 3.04Å; L137-V148 PolarHBondContact O-N 3.36Å; L139-V148 HydrophobicContact CD1-CG2 3.75Å; L139-V148 HydrophobicContact CG-CG2 4.36Å; M146-V148 HydrophobicContact CE-CG2 3.95Å; M146-V148 HydrophobicContact CG-CG2 4.04Å; M146-V148 HydrophobicContact SD-CG2 4.07Å; V148-L150 HydrophobicContact CG1-CD2 3.86Å; V148-L150 HydrophobicContact CG1-CG 4.18Å
149Q94.3Very high76Confident133 Ų13387.2 Ų87.262%0.62150%0.497SS*.EExtended strand (participates in β ladder)trans-98.3115.8170.7-175.1175.1-10.500109.1P134 L135P134-Q149 HydrophobicContact CB-CG 4.16Å; L135-Q149 CarbonylContact O-C 3.58Å; L135-Q149 WeakPolarHBondContact O-CA 3.45Å
150L94.3Very high73.7Confident23 Ų2392.5 Ų92.512%0.1253%0.532CS..EExtended strand (participates in β ladder)trans-98.7142.2171-57.5-176.7000109.5F128 P134 L135 V148 I374 L375 L378F128-L150 HydrophobicContact CE2-CB 3.7Å; F128-L150 HydrophobicContact CZ-CB 3.79Å; F128-L150 HydrophobicContact CZ-CD1 4.27Å; P134-L150 CarbonylContact C-O 3.49Å; P134-L150 VanDerWaalsContact CA-O 3.3Å; P134-L150 WeakPolarHBondContact CA-O 3.49Å; L135-L150 PolarHBondContact N-O 2.57Å; L135-L150 PolarHBondContact O-N 3.05Å; V148-L150 HydrophobicContact CG1-CD2 3.86Å; V148-L150 HydrophobicContact CG1-CG 4.18Å; L150-I374 HydrophobicContact CD1-CG2 4.15Å; L150-L375 HydrophobicContact CD1-CD2 3.95Å; L150-L378 HydrophobicContact CD1-CD1 4.34Å; L150-L378 HydrophobicContact CD2-CD1 3.63Å
151Q94.2Very high71.7Confident104 Ų10496.2 Ų96.249%0.48655%0.553SS.*  trans-138.6125.6172175.558.864.100106.9
152L91.8Very high70.2Confident54 Ų54102.9 Ų102.928%0.28359%0.587SS.*  trans-67.7135.4167.5-62.6-171.4000108.5F128F128-L152 HydrophobicContact CE1-CD2 4.27Å; F128-L152 HydrophobicContact CE1-CG 4.47Å; F128-L152 HydrophobicContact CE2-CD2 4.22Å; F128-L152 HydrophobicContact CE2-CG 4.02Å; F128-L152 HydrophobicContact CZ-CD2 3.75Å; F128-L152 HydrophobicContact CZ-CG 3.98Å; F128-L152 VanDerWaalsContact O-CD1 3.24Å; F128-L152 WeakPolarHBondContact O-CD1 3.37Å
153A84.3Confident68.7Low91 Ų91109.8 Ų109.875%0.75262%0.617SS**  trans-56148.216300000108.9Q155A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 2.94Å
154A72.3Confident66.6Low96 Ų96111.6 Ų111.679%0.79362%0.621SS**  trans-6590.4-179.400000110.2Q156A154-Q156 PolarHBondContact O-N 3.01Å
155Q60.3Low64.9Low169 Ų169114.3 Ų114.379%0.7963%0.626SS**  trans-63.7104.1176.2-176.7175.51.200107.3A153 S157A153-Q155 VanDerWaalsContact C-N 3.3Å; A153-Q155 PolarHBondContact O-N 2.94Å; Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.97Å
156Q48.1Very low62.5Low191 Ų191117.8 Ų117.889%0.89364%0.64SS**  trans-66.291.8-179.6-62.9-178.830.200108.3A154 G158A154-Q156 PolarHBondContact O-N 3.01Å; Q156-G158 PolarHBondContact O-N 3.48Å; Q156-G158 VanDerWaalsContact O-N 3.17Å
157S43.4Very low60.3Low111 Ų111121.2 Ų121.278%0.77666%0.659SS**  trans-61.3117.2172.546.20000107.8Q155 G159Q155-S157 VanDerWaalsContact C-N 3.29Å; Q155-S157 PolarHBondContact O-N 2.97Å; S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.93Å
158G40.7Very low57.8Low82 Ų82122.4 Ų122.485%0.84567%0.67SS**  trans-66.582.3-176.400000112.6Q156Q156-G158 PolarHBondContact O-N 3.48Å; Q156-G158 VanDerWaalsContact O-N 3.17Å
159G40.8Very low54.9Low57 Ų57126.1 Ų126.159%0.58870%0.697SS**  trans-62.8152.9144.100000109.2S157 Q161S157-G159 VanDerWaalsContact C-N 3.28Å; S157-G159 PolarHBondContact O-N 2.93Å; G159-Q161 PolarHBondContact O-N 3.49Å
160P40.8Very low52Low123 Ų123131.6 Ų131.680%0.79971%0.712SS**  trans-58.8136.9-17924.3-33.7000111.2L162P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.08Å
161Q39.4Very low48.9Very low162 Ų162133.8 Ų133.876%0.75774%0.741SS**  trans-69.180.9-175.4-174.2-162.2-0.100111.9G159 Q163G159-Q161 PolarHBondContact O-N 3.49Å; Q161-Q163 HydrophobicContact CG-CG 4.13Å; Q161-Q163 PolarHBondContact O-N 3.36Å; Q161-Q163 VanDerWaalsContact O-N 3.17Å
162L46.7Very low46.1Very low156 Ų156136.4 Ų136.482%0.81776%0.758SS**  trans-71107.1162.9-73.4-179.7000109.1P160 H164P160-L162 VanDerWaalsContact C-N 3.34Å; P160-L162 PolarHBondContact O-N 3.08Å; L162-H164 PolarHBondContact O-N 3.39Å
163Q45.5Very low43.3Very low153 Ų153140.4 Ų140.472%0.71579%0.785SS**  trans-74.477.6-172.3-61.2-177.41600112.9Q161 R165Q161-Q163 HydrophobicContact CG-CG 4.13Å; Q161-Q163 PolarHBondContact O-N 3.36Å; Q161-Q163 VanDerWaalsContact O-N 3.17Å; Q163-R165 PolarHBondContact O-N 2.89Å
164H32.1Very low40.9Very low169 Ų169144.7 Ų144.778%0.78279%0.789SS**  trans-97.870.3163.8-82.2-72.9000112L162 H166L162-H164 PolarHBondContact O-N 3.39Å; H164-H166 PolarHBondContact O-N 3.22Å
165R40.8Very low38.9Very low193 Ų193145.1 Ų145.173%0.72879%0.793SS**  trans-64.4113.3160.9-175.7175.282.1100.2-9.7108.1Q163 L167Q163-R165 PolarHBondContact O-N 2.89Å; R165-L167 PolarHBondContact O-N 2.96Å
166H34.8Very low37.6Very low179 Ų179141.2 Ų141.283%0.82979%0.79SS**  trans-60.2109.6173-82.4-89.2000110.5H164H164-H166 PolarHBondContact O-N 3.22Å
167L39Very low36.9Very low130 Ų130137.5 Ų137.568%0.68179%0.792SS**  trans-99.6143.7152.6-80.4174.8000108.1R165R165-L167 PolarHBondContact O-N 2.96Å
168I39.3Very low36.4Very low168 Ų168136 Ų13686%0.86279%0.794SS**  trans-93.1146176.2-63.9169.3000108.8
169S29.9Very low36Very low104 Ų104141.1 Ų141.173%0.72780%0.796SS**  trans100.7129.2165.2-158.70000117.1
170R33.1Very low36.3Very low248 Ų248143.2 Ų143.294%0.93680%0.799SS**  trans61.3141.8178.2-66.3176.8164.2169.1-6.2116
171G30.8Very low35.9Very low70 Ų70144 Ų14472%0.72280%0.802SS**  cis161.487-5.500000113.3
172N33.8Very low35.6Very low158 Ų158142.1 Ų142.185%0.84580%0.801SS**  trans23.1104.1162.3-169.990.8000119.1
173T34.2Very low35.1Very low139 Ų139143.2 Ų143.285%0.85380%0.802SS**  trans-144.9144.9140.438.20000110.7
174E33.1Very low35Very low180 Ų180141.4 Ų141.484%0.84180%0.804SS**  trans-80.9159.5-177.7-161.2172.3112.700112.1
175A30.3Very low35.9Very low105 Ų105138.3 Ų138.387%0.86880%0.798SS**  trans-129.592.7175.800000110.9
176A33.4Very low35.5Very low88 Ų88140.7 Ų140.773%0.72781%0.807SS**  trans-111.3125.3170.400000109.5
177A33.3Very low35.4Very low113 Ų113138.6 Ų138.693%0.93481%0.807SS**  trans-89.2122.6178.400000110.6
178G31.9Very low35.9Very low79 Ų79136.7 Ų136.781%0.81480%0.802SS**  trans-169.4115.4178.500000113
179Q33.7Very low35.6Very low189 Ų189136.5 Ų136.588%0.88380%0.797SS**  trans-114.1170.4168.8-104.2-166.9-22.600108.7
180P46.3Very low35.6Very low101 Ų101137.3 Ų137.366%0.65679%0.792SS**  cis-137.4150.9-25.234.4-17.9000114.1
181T32.6Very low35.8Very low141 Ų141133.7 Ų133.787%0.86579%0.786SS**  trans-152103.9160.94.50000114.8
182V33.3Very low36.9Very low121 Ų121135.4 Ų135.473%0.73378%0.784SS**  trans31.5133.9130.8-176.90000121
183Q35.9Very low36.8Very low180 Ų180135.3 Ų135.384%0.84178%0.783SS**  trans85.1121.9158.6-86.317150.100121.3
184P42.8Very low36.9Very low115 Ų115133.6 Ų133.675%0.74778%0.777SS**  trans-107.6-161.215645.2-35.3000109.6
185P51.8Low38.1Very low104 Ų104129.7 Ų129.768%0.67577%0.767SS**  cis-127.4174.2-18.938.4-23.9000113.5
186R32Very low38.3Very low242 Ų242132 Ų13291%0.91376%0.759SS**  -179.8160.5123.8-97.5159.1-173.9168.53.2113.9
187V32.9Very low38.5Very low135 Ų135134.4 Ų134.482%0.81876%0.755SS**  trans-128.7178.2-177.7-121.80000107
188P50.7Low38.7Very low91 Ų91136.8 Ų136.859%0.59175%0.747SS**  cis-139.2-157.5-735-11.1000114.4
189H31.6Very low39.8Very low163 Ų163137.7 Ų137.776%0.75574%0.738SS**  trans79.5151.2148.4-74.93000119.8
190I31.1Very low39.7Very low121 Ų121137.1 Ų137.162%0.62174%0.736SS**  cis-156.8131-20.4-121.7169.6000112.7
191H35.6Very low39.1Very low172 Ų172140.4 Ų140.480%0.79674%0.742SS**  trans47.9-161143.9-59.7-140.4000120.2
192P55.8Low40.1Very low107 Ų107137.5 Ų137.570%0.69573%0.726SS**  -140.3-146-108.446.8-24.5000115.9
193L30.1Very low40.2Very low155 Ų155139 Ų13981%0.81273%0.725SS**  trans90.2130.4175.8-52.9169.9000114.2
194S36.8Very low39.9Very low104 Ų104135.6 Ų135.673%0.72771%0.712SS**  cis102.1164.529.2-55.40000112.2
195P59.3Low39.6Very low98 Ų98137.9 Ų137.964%0.63671%0.712SS**  -129.7-143.3-105.936.2-12.7000114.1
196H33.4Very low39.5Very low153 Ų153138.4 Ų138.471%0.70872%0.716SS**  trans86.6151.2174.3-48.7-61.2000116.5
197H36.8Very low39.7Very low139 Ų139132.3 Ų132.364%0.64471%0.71SS**  cis-164.2135.8-21.8-114.6-49.5000112.7
198H37.8Very low40.3Very low163 Ų163131.8 Ų131.876%0.75571%0.71SS**  trans57.1-179.4136.4-87.223.5000120.1
199P54.5Low39.5Very low98 Ų98136.2 Ų136.264%0.63672%0.722SS**  -134.9176.3-55.139.3-24.2000113.4
200Q31.6Very low40.2Very low176 Ų176133.5 Ų133.582%0.82272%0.719SS**  169.8159.1126-89.3-60.9-2.700111.7
201Q34.4Very low40.3Very low170 Ų170134.1 Ų134.179%0.79473%0.728SS**  trans-147.6-157.4-180-128.7-159-23.100107.3
202P53.5Low41.4Very low80 Ų80131.5 Ų131.552%0.51973%0.726SS.*  cis-133.4-165.2-11.416.911.9000114.4
203H35.8Very low40.1Very low154 Ų154132.2 Ų132.271%0.71373%0.734SS**  trans81.3142.5159.3-59.5-59.4000118.8
204N30.2Very low40.3Very low108 Ų108130.3 Ų130.358%0.57873%0.734SS**  cis-157.8139.32.9-119-3.1000116
205H36.3Very low40.1Very low162 Ų162131.5 Ų131.575%0.7574%0.742SS**  trans56.8168.9148.9-57.1-46.9000121.9
206P48.4Very low38.9Very low116 Ų116132.7 Ų132.775%0.75375%0.752SS**  -134.4179.7-57.540.8-25.6000114.4
207S36.9Very low38.8Very low113 Ų113131.4 Ų131.479%0.7976%0.761SS**  trans-110165.8166.4-45.20000111
208P45.8Very low38.8Very low125 Ų125130.4 Ų130.481%0.81277%0.769SS**  -156.6-170.787.440.5-19000116.6
209H34.5Very low38.5Very low184 Ų184128 Ų12885%0.85277%0.771SS**  trans-85.9-161.6158.8-47.1-101.6000110
210P45.5Very low37.5Very low105 Ų105129.5 Ų129.568%0.68278%0.784SS**  cis-144.7-171.3-11.242.9-22.6000116.7
211V33Very low37.4Very low135 Ų135125 Ų12582%0.81879%0.785SS**  trans61.2179153.1-47.70000119.4
212P58.5Low37.5Very low116 Ų116122.7 Ų122.775%0.75379%0.787SS**  trans-115-173.7-162.844.2-36000114.6
213S29.7Very low37.2Very low122 Ų122124.6 Ų124.685%0.85380%0.8SS**  trans-173.7168.6143.1-108.60000114.7
214S34.3Very low37.1Very low116 Ų116122.9 Ų122.981%0.81180%0.8SS**  trans-98.3158.2174.953.40000112.8
215S31.1Very low37.5Very low128 Ų128126.1 Ų126.190%0.89581%0.81SS**  trans-153.9150.5156.757.10000111.7
216S34.4Very low37.8Very low123 Ų123124.2 Ų124.286%0.8681%0.811SS**  trans-112.7152.1-176.853.30000111.6
217S31.9Very low37.2Very low126 Ų126124.8 Ų124.888%0.88181%0.807SS**  trans-138.6144.416458.10000110.8
218S36Very low37.4Very low118 Ų118125.6 Ų125.683%0.82581%0.81SS**  trans-140.5129.8-167.757.40000112.4
219S32.9Very low36.7Very low114 Ų114126.1 Ų126.180%0.79781%0.806SS**  trans-161115.1162.957.70000113.7
220S33.9Very low36.7Very low129 Ų129122.3 Ų122.390%0.90280%0.796SS**  28.9134128.4-44.50000121.8
221G29.1Very low36.1Very low82 Ų82125.1 Ų125.185%0.84580%0.799SS**  trans148.3114.9150.200000116.9
222S35.3Very low36.1Very low120 Ų120126.9 Ų126.984%0.83980%0.799SS**  trans-102.2159159.6-47.20000109
223P48Very low34.8Very low120 Ų120129 Ų12978%0.77980%0.798SS**  -158.1149.385.440.9-20.4000119.1
224T32.6Very low35.5Very low119 Ų119129 Ų12973%0.7380%0.795SS**  45108.2123.8-51.90000123.8
225F38.4Very low35.5Very low176 Ų176130.5 Ų130.577%0.77279%0.793SS**  trans65.6166.6137.2-82-93.2000119.4L227F225-L227 HydrophobicContact CD1-CD1 3.78Å; F225-L227 HydrophobicContact CE1-CD1 3.66Å
226P43.2Very low36.3Very low121 Ų121129.8 Ų129.879%0.78679%0.786SS**  cis-136.2-177.233.543.8-24.5000119.2
227L36.1Very low36.9Very low128 Ų128129 Ų12967%0.6778%0.778SS**  trans-93.3167.1168.8-81.572.8000111.7F225F225-L227 HydrophobicContact CD1-CD1 3.78Å; F225-L227 HydrophobicContact CE1-CD1 3.66Å
228P42.1Very low37Very low130 Ų130129 Ų12984%0.84477%0.765SS**  trans-122.1-177.9131.837.1-31.3000113.1
229N31.2Very low36.9Very low137 Ų137133.9 Ų133.973%0.73377%0.767SS**  trans-141.9149.5-150.6-165.734.3000115.2
230T33.3Very low36.9Very low103 Ų103135.4 Ų135.463%0.63276%0.761SS**  trans50.9139.8156.542.40000122.6
231H33.5Very low36.7Very low164 Ų164138.4 Ų138.476%0.75976%0.761SS**  -173.3115.4116.9-113.1-101.2000116
232H32.7Very low36.9Very low173 Ų173139.7 Ų139.780%0.80176%0.757SS**  trans63.3161.9140.2-72.5-105.7000126
233Q30.9Very low37.4Very low161 Ų161139.5 Ų139.575%0.75275%0.753SS**  trans-90.7-179.4-171.6-81.9-104.40.800113.3
234P43.7Very low36.7Very low120 Ų120139.1 Ų139.178%0.77975%0.753SS**  cis-144.9-176.22244.1-22.7000120.4
235L35.7Very low37.2Very low148 Ų148138.3 Ų138.378%0.77575%0.753SS**  trans-78-178.1163-73.9166.1000112.1
236P46.8Very low37.3Very low114 Ų114136 Ų13674%0.7476%0.755SS**  cis-139.9-142.81547.1-25.9000112.7
237P48.6Very low36.9Very low107 Ų107139 Ų13970%0.69576%0.759SS**  cis-130.2175.1-2540-23.6000115.9
238M32.6Very low36.6Very low124 Ų124139 Ų13961%0.61177%0.767SS**  trans37137148.3-63.1-63.6-79.500121.6
239Y34Very low36.5Very low221 Ų221137.8 Ų137.887%0.86776%0.762SS**  -160.1170.567.5-95.8-80.6000114.8
240H32.6Very low37.2Very low146 Ų146137.2 Ų137.268%0.67677%0.766SS**  trans-81.6149.4178.8-73.3-149.9000114.3
241Q30.4Very low37.7Very low193 Ų193138 Ų13890%0.90277%0.773SS**  -174.8151.5110.6-99.5154105.200114.2
242S34.4Very low38Very low109 Ų109136.9 Ų136.976%0.76278%0.778SS**  trans-108.3168.4165.4-47.40000108.8
243P44.1Very low39.1Very low116 Ų116134 Ų13475%0.75378%0.775SS**  -154.5160.18940.9-22.7000118.2
244S34.1Very low40Very low111 Ų111131.7 Ų131.778%0.77677%0.773SS**  trans44.3133.1143.762.70000124.1
245S42.5Very low40.5Very low103 Ų103130.5 Ų130.572%0.7277%0.766SS**  trans-67175.9160-39.10000113.8
246P40.8Very low40.4Very low128 Ų128132.1 Ų132.183%0.83177%0.769SS**  -131.1165.6114.637.9-32.2000114.9
247H34.3Very low40Very low184 Ų184132 Ų13285%0.85277%0.77SS**  trans-81.3164.4174.4-77.1-123000112.4
248C30.8Very low39.7Very low126 Ų126133.3 Ų133.385%0.85178%0.779SS**  trans-143.2153.5157.1-152.10000111.6
249S39.2Very low39.7Very low105 Ų105138.5 Ų138.573%0.73479%0.792SS**  trans-160.3160.9-177.6-77.70000109.8
250P45.9Very low40.7Very low126 Ų126132.2 Ų132.282%0.81878%0.778SS**  trans-87.8155.9-15533.6-37.2000115.9
251P45Very low40.7Very low119 Ų119130.6 Ų130.677%0.77378%0.783SS**  trans-109.2153.6178.839.5-33.5000115.7
252T38Very low40.7Very low140 Ų140130 Ų13086%0.85978%0.78SS**  trans-175.4159.5161.4-1.90000109.4
253P57.7Low41Very low114 Ų114132 Ų13274%0.7478%0.781SS**  cis-102.3-90.3-12.418.54.6000113.2
254P47.9Very low41.2Very low112 Ų112132.7 Ų132.773%0.72779%0.785SS**  cis-107.6-94.3-318.46000118.4
255P54.4Low41.2Very low95 Ų95131.2 Ų131.262%0.61779%0.787SS**  trans-130.4169.7-135.637.4-17.3000120.5
256H33.7Very low40.6Very low181 Ų181129.5 Ų129.584%0.83879%0.786SS**  trans122.1134.4152.2-67.8-72.5000117.7
257S38.2Very low40.6Very low111 Ų111130.5 Ų130.578%0.77678%0.784SS**  trans-122.7162.4166.9-48.30000108.6
258P42.7Very low40.6Very low135 Ų135130.7 Ų130.788%0.87778%0.782SS**  -142.5-167.5108.138.3-23.8000114.5
259R34Very low40.7Very low233 Ų233135.3 Ų135.388%0.87978%0.782SS**  trans-119.9-158.6-168.8-159.7-161163.8-153.8-2.7110
260P54.6Low40.6Very low90 Ų90136.1 Ų136.158%0.58479%0.788SS**  -105.4166.9-107.238.9-25.7000117.6
261S31.6Very low40.5Very low111 Ų111136 Ų13678%0.77679%0.787SS**  trans-148.9126.6150.546.50000108.1
262H31.2Very low40Very low181 Ų181134.8 Ų134.884%0.83878%0.781SS**  88.1144.866.2-80.9-73.3000114.2
263I40.7Very low39.9Very low151 Ų151135.6 Ų135.677%0.77478%0.775SS**  trans-98.6163-160-16.2177.7000111.8
264P47Very low38.8Very low131 Ų131136.2 Ų136.285%0.85177%0.767SS**  -139.1173.494.338-24.4000113.6
265G35.1Very low38.3Very low79 Ų79139.6 Ų139.681%0.81477%0.773SS**  trans-130.4174.9-170.300000116.6
266G30.8Very low37.4Very low67 Ų67143 Ų14369%0.69178%0.781SS**  trans-159.4127.2167.700000107.3
267L39.9Very low37.6Very low150 Ų150141.9 Ų141.979%0.78578%0.775SS**  72.6122.573-76.6174.5000113.5
268F34.5Very low37.9Very low188 Ų188144.8 Ų144.883%0.82578%0.776SS**  trans66.8154.6173.3-55.8-66.8000116.4
269R33.2Very low38.3Very low223 Ų223142 Ų14284%0.84276%0.758SS**  cis-169.5118.2-24.6173.5-177.4-170-166.84.6107.4P271R269-P271 WeakPolarHBondContact O-CD 3.49Å
270S36.5Very low38.5Very low122 Ų122139.8 Ų139.885%0.85376%0.757SS**PPolyproline II helixtrans-77.2130.3177-57.40000111.9
271P43.2Very low37.6Very low123 Ų123142.1 Ų142.180%0.79976%0.76SS**PPolyproline II helixtrans-93.3134167.5-5.525.8000112.3R269R269-P271 WeakPolarHBondContact O-CD 3.49Å
272S35.2Very low37.9Very low93 Ų93143.3 Ų143.365%0.6575%0.753SS**PPolyproline II helixtrans-61.4156.8161.4-520000110.6
273H36.8Very low38Very low158 Ų158143.6 Ų143.673%0.73175%0.754SS**  171.8166.581.7-80.1-81.4000107.2
274H34.4Very low37.7Very low126 Ų126145.9 Ų145.958%0.58376%0.755SS**  cis-153.4156.4-4.1-130.7-54.9000110.5
275H36.1Very low37Very low183 Ų183148.6 Ų148.685%0.84776%0.756SS**  trans-128156140.3-104.228.8000108.7
276H35.8Very low36.9Very low168 Ų168152.9 Ų152.978%0.77875%0.754SS**  trans-109.7150.5-169.1-133.467.8000112
277H38.6Very low38Very low157 Ų157154.3 Ų154.373%0.72775%0.752SS**  trans-78.2179.3175-72.7-87.9000110.1
278H43.8Very low37.4Very low171 Ų171153 Ų15379%0.79276%0.755SS**  cis-161.2-165.439.7-133.1-23.3000113.4
279P52.2Low37.4Very low77 Ų77149.5 Ų149.550%0.575%0.754SS.*  -123.9-169.9-128.145.8-29000115.3
280H37.8Very low37.3Very low186 Ų186144.7 Ų144.786%0.86175%0.754SS**  -162.9177.4120.1-107.5-75.6000111.5
281H35.7Very low37.2Very low140 Ų140147.3 Ų147.365%0.64875%0.753SS**  trans-124.3155.1-152.8-101.6-104.7000116.7
282H37Very low37.3Very low136 Ų136147.5 Ų147.563%0.6376%0.755SS**  trans49.9125.8149.1-64.8-43000122.2
283H33.4Very low37Very low186 Ų186147.6 Ų147.686%0.86176%0.755SS**  -153.1158.696-109.670.4000113.2
284Y34.6Very low37Very low200 Ų200149.6 Ų149.678%0.78476%0.764SS**  trans-110.9147172.7-94.1-100.8000109.4
285H32.3Very low36.8Very low187 Ų187150.3 Ų150.387%0.86677%0.773SS**  -173.2146.5122.7-111.4-72.5000115.1
286Q33.5Very low36.6Very low169 Ų169149 Ų14979%0.7977%0.77SS**  trans-151.1-178.3158.5-129.9-161.7-7.800105.1
287P52.8Low36.2Very low98 Ų98144 Ų14464%0.63677%0.765SS**  cis-121.3-175-30.240.8-27.8000111.2
288S29.3Very low35.9Very low123 Ų123145.4 Ų145.486%0.8677%0.772SS**  trans171.9172.9131-79.40000112.8
289S34.5Very low35.2Very low113 Ų113143.8 Ų143.879%0.7977%0.773SS**  trans-103.2161-168.252.10000114.7
290S30.8Very low34.3Very low122 Ų122145.3 Ų145.385%0.85379%0.786SS**  trans-169.6144.2132.622.80000112.6
291Q34.4Very low34.9Very low178 Ų178141.6 Ų141.683%0.83278%0.778SS**  trans-103.3158157.1-123.9177.6-18.500106.1
292P43.9Very low34.6Very low127 Ų127141.6 Ų141.683%0.82579%0.787SS**  -149.7-173.573.640-19.7000115.9
293S30.5Very low34.4Very low95 Ų95138.7 Ų138.766%0.66479%0.787SS**  trans-69.1165.9-179.1-36.60000115.2
294H35.1Very low34.9Very low199 Ų199135.6 Ų135.692%0.92178%0.783SS**  -157.7-177.7124.3-106.9-67.3000111.3
295D30.5Very low34.8Very low142 Ų142132.1 Ų132.176%0.75978%0.783SS**  trans-125.6-177-154.4179.9-135.4000113
296I31.5Very low34.5Very low154 Ų154131 Ų13179%0.7978%0.782SS**  trans95.9121.7160.1-54.7168.7000117.5
297G28.4Very low34.4Very low65 Ų65128.4 Ų128.467%0.6778%0.782SS**  114.679.3120.300000121.6
298Q32Very low34.2Very low186 Ų186129.3 Ų129.387%0.86979%0.788SS**  trans31.8167134.9-64.2-164.41.200125.2
299V29.2Very low34.2Very low137 Ų137131.9 Ų131.983%0.8379%0.786SS**  trans81.7137.1158.5-132.50000119.7
300S32.5Very low34Very low108 Ų108131.7 Ų131.776%0.75579%0.792SS**  trans-92.9-175.6166.7-131.60000109.3
301P50.7Low33.9Very low108 Ų108131.7 Ų131.770%0.70178%0.782SS**  cis-151.9-162.63544.1-21.1000117.3
302V29.7Very low33.4Very low140 Ų140129.7 Ų129.785%0.84879%0.786SS**  trans83.7146.3153.9164.70000119.3
303A32.3Very low32.8Very low75 Ų75128.2 Ų128.262%0.6278%0.779SS**  trans-119.7175.1-17900000111.7
304P44.9Very low32.6Very low121 Ų121130.9 Ų130.979%0.78679%0.791SS**  -134.714499.833.6-20.7000112.2
305V32.3Very low32.5Very low128 Ų128129.1 Ų129.178%0.77679%0.788SS**  64.8101.664.5-178.20000113.9
306L26.4Very low32.5Very low162 Ų162127.8 Ų127.885%0.84879%0.79SS**  trans-173.4130.8136.1-104.9161.5000112.1
307C31.2Very low33.2Very low115 Ų115126.9 Ų126.978%0.77780%0.795SS**  trans-141.1155.5166.4-64.10000107.6
308P48.3Very low33.2Very low118 Ų118127.4 Ų127.477%0.76680%0.8SS**  -131.4140.6100.76.915.8000112
309E29.5Very low33.2Very low176 Ų176124.9 Ų124.982%0.82280%0.803SS**  67.7119.880.8-74.4-152.788.900117.1
310A29Very low33.1Very low110 Ų110121.7 Ų121.791%0.90980%0.798SS**  trans-152.8115.9142.400000108.6
311N29.8Very low33.5Very low121 Ų121122.8 Ų122.865%0.64781%0.805SS**  trans-126.5137.5179.9175.913.1000109.7S313N311-S313 PolarHBondContact OD1-OG 3.39Å
312C24.3Very low32.5Very low136 Ų136122.8 Ų122.892%0.91981%0.808SS**  trans-124.7102.5169.8-72.60000109.3
313S29.8Very low33.1Very low96 Ų96122.3 Ų122.367%0.67181%0.808SS**  trans-122.2132.6176-66.70000110.1N311N311-S313 PolarHBondContact OD1-OG 3.39Å
314T26.3Very low33.1Very low151 Ų151124 Ų12493%0.92682%0.815SS**  trans-127.6130.8168.436.10000109.8
315N34.6Very low32.8Very low162 Ų162123 Ų12387%0.86682%0.817SS**  trans-124.2147.8-172.3-127.7-6.3000109.6
316S29.1Very low33.2Very low114 Ų114127.4 Ų127.480%0.79782%0.82SS**  trans-155138.9164.9-770000109.9
317P46.8Very low34.1Very low136 Ų136125.9 Ų125.988%0.88382%0.822SS**  trans-101.5158.4-164.638.4-35.8000114.4
318G27.9Very low35Very low76 Ų76129.3 Ų129.378%0.78482%0.819SS**  trans164.3105.5162.400000117
319S32.4Very low35.2Very low133 Ų133132.6 Ų132.693%0.9382%0.821SS**  trans37.3112.3148.5-179.20000120.5
320G26.8Very low36.6Very low70 Ų70130.1 Ų130.172%0.72282%0.82SS**  trans169.595.8159.100000114.6S322G320-S322 PolarHBondContact O-N 3.01Å
321S40.7Very low38.8Very low130 Ų130125.6 Ų125.691%0.90979%0.785SS**  trans-72.3113.6178.6570000112.1
322S30.6Very low41.5Very low109 Ų109120.9 Ų120.976%0.76276%0.763SS**  trans-121.5143.4165.1-74.80000110.1G320G320-S322 PolarHBondContact O-N 3.01Å
323P41.9Very low44.6Very low129 Ų129118.5 Ų118.584%0.83874%0.74SS**  trans-67.5136.8-17127.2-34.8000111.8A325P323-A325 PolarHBondContact O-N 3.38Å
324S32.3Very low47.4Very low111 Ų111114.8 Ų114.878%0.77671%0.712SS**  trans-50.6131.4-171.4-46.40000113.2R326S324-R326 PolarHBondContact O-N 3.15Å
325A39.5Very low50.4Low100 Ų100113.2 Ų113.283%0.82670%0.695SS**  trans-65.482.5166.400000109.9P323 S327P323-A325 PolarHBondContact O-N 3.38Å; A325-S327 PolarHBondContact O-N 3.25Å
326R40Very low52.9Low220 Ų220107.7 Ų107.783%0.8367%0.669SS**  trans-49.4125.9167-63.4-177.5-176.2-179.81107.5S324 R328S324-R326 PolarHBondContact O-N 3.15Å; R326-R328 VanDerWaalsContact O-CG 3.25Å; R326-R328 WeakPolarHBondContact O-CG 3.17Å; R326-R328 PolarHBondContact O-N 3Å
327S44.9Very low55.7Low130 Ų130104.2 Ų104.291%0.90964%0.639SS**  trans-42.3102.5-177.9-178.20000111.4A325A325-S327 PolarHBondContact O-N 3.25Å
328R50.4Low57.7Low188 Ų188101 Ų10171%0.70962%0.617SS**PPolyproline II helixtrans-89.5135.8176.5-60.5-164.3-175.4-175.33.1107.2R326R326-R328 VanDerWaalsContact O-CG 3.25Å; R326-R328 WeakPolarHBondContact O-CG 3.17Å; R326-R328 PolarHBondContact O-N 3Å
329K53.8Low60.6Low187 Ų187101.6 Ų101.681%0.81360%0.602SS**PPolyproline II helixtrans-60145.1175.8-68.5169.3177.8177.20109.4
330P58.7Low63.2Low123 Ų123101.1 Ų101.180%0.79959%0.585SS**SBendtrans-53.7140.9171.1-24.134000111.1
331G73.5Confident66Low16 Ų1699.7 Ų99.717%0.16557%0.567CS.*SBendtrans144.5-176.9-178.900000112.4
332A86.6Confident67.9Low22 Ų22100 Ų10018%0.18257%0.565CS.*  trans-72147.5179.800000113.2D377 L378 A381A332-D377 HydrophobicContact CB-CB 3.91Å; A332-L378 HydrophobicContact CB-CD2 4.4Å; A332-A381 HydrophobicContact CB-CB 4.41Å; A332-A381 VanDerWaalsContact O-CB 3.31Å; A332-A381 WeakPolarHBondContact O-CB 3.41Å
333I89.1Confident70.3Confident85 Ų8597.5 Ų97.544%0.43656%0.557SS.*EExtended strand (participates in β ladder)trans-116.7137.7172.9-58.8176.8000107.6F349 S350I333-F349 VanDerWaalsContact O-CA 3.26Å; I333-F349 WeakPolarHBondContact O-CA 3.33Å; I333-S350 PolarHBondContact N-O 3.1Å; I333-S350 PolarHBondContact O-N 3.3Å
334I89.3Confident72.5Confident19 Ų1995.2 Ų95.210%0.09754%0.54CS..EExtended strand (participates in β ladder)trans-80.9122.1172.1-41.7-164.4000108.5S336 F337 F349 A381 T382 Y385 M388I334-S336 WeakPolarHBondContact CG2-O 3.46Å; I334-F337 HydrophobicContact CG2-CB 4.04Å; I334-F349 HydrophobicContact CB-CD1 4.17Å; I334-F349 HydrophobicContact CB-CE1 4.24Å; I334-F349 HydrophobicContact CD1-CD1 4.33Å; I334-F349 HydrophobicContact CD1-CE1 3.69Å; I334-F349 HydrophobicContact CG1-CD1 3.74Å; I334-F349 HydrophobicContact CG1-CE1 3.62Å; I334-F349 HydrophobicContact CG2-CD1 4.18Å; I334-F349 HydrophobicContact CG2-CE1 3.98Å; I334-F349 HydrophobicContact CG2-CZ 4.45Å; I334-A381 HydrophobicContact CD1-CB 4.38Å; I334-A381 HydrophobicContact CG1-CB 3.85Å; I334-T382 HydrophobicContact CD1-CG2 4.09Å; I334-Y385 HydrophobicContact CB-CD2 4.02Å; I334-Y385 HydrophobicContact CB-CE2 4.37Å; I334-Y385 HydrophobicContact CD1-CD2 4.13Å; I334-Y385 HydrophobicContact CD1-CG 4.05Å; I334-Y385 HydrophobicContact CG1-CD2 4.36Å; I334-Y385 HydrophobicContact CG2-CD2 4.43Å; I334-Y385 HydrophobicContact CG2-CE2 4.45Å; I334-M388 HydrophobicContact CD1-CE 3.37Å
335E88.7Confident75.2Confident118 Ų11892.5 Ų92.555%0.55152%0.515SS*.EExtended strand (participates in β ladder)trans-93.9-42.3175.5-49.8168.1145.300110.6T348 S350E335-T348 PolarHBondContact N-O 3.02Å; E335-T348 VanDerWaalsContact OE2-CB 3.28Å; E335-T348 WeakPolarHBondContact OE2-CB 3.42Å; E335-T348 PolarHBondContact OE2-OG1 3.05Å; E335-S350 VanDerWaalsContact CD-OG 3.26Å; E335-S350 WeakPolarHBondContact OE1-CB 3.41Å; E335-S350 PolarHBondContact OE1-OG 3.28Å
336S87.8Confident77.7Confident46 Ų4690.3 Ų90.332%0.32249%0.493SS..EExtended strand (participates in β ladder)trans-137.7144.3178.669.10000110.7I334 G347 T348I334-S336 WeakPolarHBondContact CG2-O 3.46Å; S336-G347 CarbonylContact O-C 3.53Å; S336-G347 WeakPolarHBondContact O-CA 3.41Å; S336-T348 PolarHBondContact N-O 3Å; S336-T348 PolarHBondContact O-N 3.33Å; S336-T348 VanDerWaalsContact O-N 3.08Å; S336-T348 WeakPolarHBondContact OG-CB 3.26Å; S336-T348 PolarHBondContact OG-N 3.1Å; S336-T348 PolarHBondContact OG-OG1 3.1Å
337F88.6Confident80.1Confident40 Ų4081.3 Ų81.318%0.17547%0.469CS..EExtended strand (participates in β ladder)trans-149.1125.2174.5-170.1-95.1000110I334 F345 M388 P389 L392I334-F337 HydrophobicContact CG2-CB 4.04Å; F337-F345 HydrophobicContact CE1-CB 4.4Å; F337-F345 AromaticContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CG 4.36Å; F337-F345 HydrophobicContact CE2-CB 3.95Å; F337-F345 HydrophobicContact CZ-CB 3.57Å; F337-F345 AromaticContact CZ-CD1 3.7Å; F337-F345 HydrophobicContact CZ-CD1 3.7Å; F337-F345 AromaticContact CZ-CG 3.72Å; F337-F345 HydrophobicContact CZ-CG 3.72Å; F337-M388 HydrophobicContact CD1-CE 4.23Å; F337-M388 HydrophobicContact CD1-SD 4.07Å; F337-M388 HydrophobicContact CD2-CE 3.87Å; F337-M388 HydrophobicContact CE1-CE 4.29Å; F337-M388 HydrophobicContact CE1-SD 3.72Å; F337-M388 HydrophobicContact CE2-CE 3.93Å; F337-M388 HydrophobicContact CE2-SD 4.19Å; F337-M388 HydrophobicContact CG-CE 4.02Å; F337-M388 HydrophobicContact CG-SD 4.45Å; F337-M388 HydrophobicContact CZ-CE 4.14Å; F337-M388 HydrophobicContact CZ-SD 3.78Å; F337-P389 HydrophobicContact CE1-CG 4.26Å; F337-L392 HydrophobicContact CE1-CD1 4.4Å; F337-L392 HydrophobicContact CE2-CD1 4.13Å; F337-L392 HydrophobicContact CZ-CD1 3.54Å
338V88.3Confident82.3Confident70 Ų7078.3 Ų78.342%0.42445%0.445SS..EExtended strand (participates in β ladder)trans-128.9132.1-174.1-176.40000109.4F345 S346V338-F345 WeakPolarHBondContact O-CA 3.4Å; V338-S346 PolarHBondContact N-O 3.21Å; V338-S346 PolarHBondContact O-N 3.36Å
339N87.5Confident84.2Confident88 Ų8872.5 Ų72.547%0.47143%0.425SS..EExtended strand (participates in β ladder)trans-100.6116.4172.8175.98.9000108.4A341 F345N339-A341 PolarHBondContact OD1-N 3.43Å; N339-A341 PolarHBondContact OD1-O 3.02Å; N339-F345 HydrophobicContact CB-CD1 3.96Å; N339-F345 HydrophobicContact CB-CE1 3.94Å; N339-F345 WeakPolarHBondContact OD1-CE1 3.48Å
340H87.8Confident85.9Confident122 Ų12266.4 Ų66.457%0.56541%0.406SS*.EExtended strand (participates in β ladder)trans-95.5-32.6-178.5-63.4-81.3000112.6V344 S346H340-V344 HydrophobicContact CB-CG1 4.2Å; H340-V344 PolarHBondContact N-O 2.89Å; H340-S346 PolarHBondContact NE2-OG 3.42Å
341A85.6Confident87.3Confident41 Ų4163.2 Ų63.234%0.33940%0.396SS..EExtended strand (participates in β ladder)trans-162.6161.7179.500000109.4N339 G343 V344N339-A341 PolarHBondContact OD1-N 3.43Å; N339-A341 PolarHBondContact OD1-O 3.02Å; A341-G343 PolarHBondContact O-N 3.28Å; A341-V344 HydrophobicContact CB-CB 4.17Å; A341-V344 HydrophobicContact CB-CG2 4.17Å; A341-V344 PolarHBondContact O-N 2.98Å
342P80.9Confident88Confident136 Ų13667.4 Ų67.488%0.88342%0.418SS*.THydrogen-bonded Turntrans-52.1111.5173.6-26.835.8000112.1
343G81.3Confident87.9Confident56 Ų5668 Ų6858%0.57742%0.418SS*.THydrogen-bonded Turntrans92.7-2.4-176.800000116.1A341A341-G343 PolarHBondContact O-N 3.28Å
344V88.7Confident87.7Confident81 Ų8168.4 Ų68.449%0.49142%0.418SS..EExtended strand (participates in β ladder)trans-118.6112-176.9-174.70000110.8H340 A341H340-V344 HydrophobicContact CB-CG1 4.2Å; H340-V344 PolarHBondContact N-O 2.89Å; A341-V344 HydrophobicContact CB-CB 4.17Å; A341-V344 HydrophobicContact CB-CG2 4.17Å; A341-V344 PolarHBondContact O-N 2.98Å
345F88.3Confident87.5Confident55 Ų5571.7 Ų71.724%0.24144%0.441CS..EExtended strand (participates in β ladder)trans-130.1146.8-174.3-51.4-71.5000111.4F337 V338 N339 P389 S391 L392F337-F345 HydrophobicContact CE1-CB 4.4Å; F337-F345 AromaticContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CD1 3.86Å; F337-F345 HydrophobicContact CE1-CG 4.36Å; F337-F345 HydrophobicContact CE2-CB 3.95Å; F337-F345 HydrophobicContact CZ-CB 3.57Å; F337-F345 AromaticContact CZ-CD1 3.7Å; F337-F345 HydrophobicContact CZ-CD1 3.7Å; F337-F345 AromaticContact CZ-CG 3.72Å; F337-F345 HydrophobicContact CZ-CG 3.72Å; V338-F345 WeakPolarHBondContact O-CA 3.4Å; N339-F345 HydrophobicContact CB-CD1 3.96Å; N339-F345 HydrophobicContact CB-CE1 3.94Å; N339-F345 WeakPolarHBondContact OD1-CE1 3.48Å; F345-P389 HydrophobicContact CD1-CG 4.2Å; F345-P389 HydrophobicContact CE1-CB 4.43Å; F345-P389 HydrophobicContact CE1-CG 3.55Å; F345-P389 HydrophobicContact CZ-CG 4.07Å; F345-S391 WeakPolarHBondContact CZ-OG 3.38Å; F345-L392 HydrophobicContact CD2-CG 4.45Å; F345-L392 HydrophobicContact CE2-CG 4.4Å
346S90.6Very high87.4Confident54 Ų5471.8 Ų71.838%0.37845%0.445SS..EExtended strand (participates in β ladder)trans-140149.2171.666.20000110.4V338 H340V338-S346 PolarHBondContact N-O 3.21Å; V338-S346 PolarHBondContact O-N 3.36Å; H340-S346 PolarHBondContact NE2-OG 3.42Å
347G90.9Very high87.4Confident31 Ų3170.2 Ų70.232%0.3243%0.434SS..EExtended strand (participates in β ladder)trans-165.4164.9175.500000112.9S336 F349S336-G347 CarbonylContact O-C 3.53Å; S336-G347 WeakPolarHBondContact O-CA 3.41Å; G347-F349 WeakPolarHBondContact O-CE2 3.12Å
348T91.3Very high87.4Confident67 Ų6771.4 Ų71.441%0.41144%0.44SS..EExtended strand (participates in β ladder)trans-107142.9170.565.20000110.5E335 S336E335-T348 PolarHBondContact N-O 3.02Å; E335-T348 VanDerWaalsContact OE2-CB 3.28Å; E335-T348 WeakPolarHBondContact OE2-CB 3.42Å; E335-T348 PolarHBondContact OE2-OG1 3.05Å; S336-T348 PolarHBondContact N-O 3Å; S336-T348 PolarHBondContact O-N 3.33Å; S336-T348 VanDerWaalsContact O-N 3.08Å; S336-T348 WeakPolarHBondContact OG-CB 3.26Å; S336-T348 PolarHBondContact OG-N 3.1Å; S336-T348 PolarHBondContact OG-OG1 3.1Å
349F91.3Very high87.4Confident65 Ų6571.1 Ų71.129%0.28544%0.436SS..EExtended strand (participates in β ladder)trans-141.7134.1-171.4-55.8-105.9000108.9I333 I334 G347 L378 T382I333-F349 VanDerWaalsContact O-CA 3.26Å; I333-F349 WeakPolarHBondContact O-CA 3.33Å; I334-F349 HydrophobicContact CB-CD1 4.17Å; I334-F349 HydrophobicContact CB-CE1 4.24Å; I334-F349 HydrophobicContact CD1-CD1 4.33Å; I334-F349 HydrophobicContact CD1-CE1 3.69Å; I334-F349 HydrophobicContact CG1-CD1 3.74Å; I334-F349 HydrophobicContact CG1-CE1 3.62Å; I334-F349 HydrophobicContact CG2-CD1 4.18Å; I334-F349 HydrophobicContact CG2-CE1 3.98Å; I334-F349 HydrophobicContact CG2-CZ 4.45Å; G347-F349 WeakPolarHBondContact O-CE2 3.12Å; F349-L378 HydrophobicContact CB-CD2 3.38Å; F349-L378 HydrophobicContact CD1-CD2 3.4Å; F349-L378 HydrophobicContact CD2-CD2 3.76Å; F349-L378 HydrophobicContact CE1-CD2 4Å; F349-L378 HydrophobicContact CE2-CD2 4.34Å; F349-L378 HydrophobicContact CG-CD2 3.25Å; F349-L378 HydrophobicContact CZ-CD2 4.45Å; F349-T382 HydrophobicContact CE1-CG2 4.41Å
350S89.8Confident87.4Confident59 Ų5972.6 Ų72.641%0.41345%0.453SS..EExtended strand (participates in β ladder)trans-133.5143.6-178-73.70000110.6I333 E335I333-S350 PolarHBondContact N-O 3.1Å; I333-S350 PolarHBondContact O-N 3.3Å; E335-S350 VanDerWaalsContact CD-OG 3.26Å; E335-S350 WeakPolarHBondContact OE1-CB 3.41Å; E335-S350 PolarHBondContact OE1-OG 3.28Å
351G87.9Confident87.2Confident57 Ų5772.7 Ų72.759%0.58846%0.458SS*.  trans179.3174.2-178.400000112.3
352T86.9Confident87Confident103 Ų10373 Ų7363%0.63247%0.465SS*.  trans-105126.9179.653.70000110.9
353L86Confident87.2Confident36 Ų3674.4 Ų74.419%0.18845%0.453CS..  trans-63.2144.2173.5-65.9175.1000111.7C357 Q358 P364 T370 I374L353-C357 HydrophobicContact CB-CB 4.34Å; L353-Q358 PolarHBondContact O-NE2 2.9Å; L353-P364 HydrophobicContact CD1-CB 3.73Å; L353-P364 HydrophobicContact CD1-CG 3.81Å; L353-T370 HydrophobicContact CD1-CG2 3.88Å; L353-I374 HydrophobicContact CD2-CD1 4.32Å; L353-I374 HydrophobicContact CD2-CG1 3.67Å
354H83.6Confident87.5Confident93 Ų9374.1 Ų74.143%0.43144%0.441SS..  trans-58.4143.3172.7-170.3-96000111.4N356 C357H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact CE1-OD1 3.29Å; H354-N356 PolarHBondContact ND1-N 3.11Å; H354-N356 PolarHBondContact O-N 2.88Å; H354-N356 VanDerWaalsContact O-N 3.11Å; H354-C357 WeakPolarHBondContact O-CA 3.28Å; H354-C357 WeakPolarHBondContact O-CB 3.49Å; H354-C357 PolarHBondContact O-N 2.89Å
355P85.5Confident87.6Confident88 Ų8874.9 Ų74.957%0.57144%0.435SS*.G310 helixtrans-53.3-34.8-176.6-30.837.2000115.2C357 Q358P355-C357 PolarHBondContact O-N 3.14Å; P355-C357 VanDerWaalsContact O-N 3.14Å; P355-Q358 WeakPolarHBondContact O-CA 3.49Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 2.86Å
356N86.4Confident87.7Confident120 Ų12079.2 Ų79.264%0.64245%0.45SS*.G310 helixtrans-65.2-15.4177.2-55.314.8000113.8H354 R365H354-N356 VanDerWaalsContact C-N 3.25Å; H354-N356 PolarHBondContact CE1-OD1 3.29Å; H354-N356 PolarHBondContact ND1-N 3.11Å; H354-N356 PolarHBondContact O-N 2.88Å; H354-N356 VanDerWaalsContact O-N 3.11Å; N356-R365 PolarHBondContact O-NH1 3.24Å
357C87.9Confident87.8Confident12 Ų1278.7 Ų78.78%0.08144%0.443CS..G310 helixtrans-959.9172.5-58.80000112.1L353 H354 P355 P364 R365 T370L353-C357 HydrophobicContact CB-CB 4.34Å; H354-C357 WeakPolarHBondContact O-CA 3.28Å; H354-C357 WeakPolarHBondContact O-CB 3.49Å; H354-C357 PolarHBondContact O-N 2.89Å; P355-C357 PolarHBondContact O-N 3.14Å; P355-C357 VanDerWaalsContact O-N 3.14Å; C357-P364 WeakPolarHBondContact O-CA 3.28Å; C357-R365 PolarHBondContact O-N 3.2Å; C357-T370 HydrophobicContact CB-CG2 4.22Å
358Q89.5Confident87.9Confident66 Ų6680.7 Ų80.731%0.30845%0.445SS..BIsolated β-bridgetrans-117.4150.5178.5-54.5-178.421.800111.2L353 P355 R363 R365L353-Q358 PolarHBondContact O-NE2 2.9Å; P355-Q358 WeakPolarHBondContact O-CA 3.49Å; P355-Q358 WeakPolarHBondContact O-CB 3.45Å; P355-Q358 PolarHBondContact O-N 2.86Å; Q358-R363 CarbonylContact C-O 3.58Å; Q358-R363 WeakPolarHBondContact CA-O 3.48Å; Q358-R365 VanDerWaalsContact C-CG 3.46Å; Q358-R365 WeakPolarHBondContact O-CD 3.35Å
359D87.3Confident87.9Confident63 Ų6379.1 Ų79.134%0.33744%0.442SS..  trans-82.4178.2172.367.314.8000111.9N361 G362 R363 R365D359-N361 PolarHBondContact O-N 3.38Å; D359-N361 VanDerWaalsContact OD1-CA 3.27Å; D359-N361 WeakPolarHBondContact OD1-CA 3.46Å; D359-N361 WeakPolarHBondContact OD1-CB 3.24Å; D359-N361 PolarHBondContact OD1-N 3Å; D359-G362 PolarHBondContact O-N 3.02Å; D359-G362 PolarHBondContact OD1-N 2.83Å; D359-G362 VanDerWaalsContact OD1-N 3.09Å; D359-R363 PolarHBondContact N-O 3.07Å; D359-R363 PolarHBondContact OD1-N 2.96Å; D359-R365 HydrophobicContact CB-CG 4.37Å
360S87.3Confident87.9Confident120 Ų12076 Ų7684%0.83943%0.429SS*.THydrogen-bonded Turntrans-57.9-9.2174.645.50000114.7
361N83.8Confident88.1Confident124 Ų12473.2 Ų73.266%0.66341%0.409SS*.THydrogen-bonded Turntrans-114.511.6-176.6-57.583.2000111.5D359 R363D359-N361 PolarHBondContact O-N 3.38Å; D359-N361 VanDerWaalsContact OD1-CA 3.27Å; D359-N361 WeakPolarHBondContact OD1-CA 3.46Å; D359-N361 WeakPolarHBondContact OD1-CB 3.24Å; D359-N361 PolarHBondContact OD1-N 3Å; N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å
362G81.9Confident88.2Confident48 Ų4873.4 Ų73.450%0.49540%0.397SS..SBendtrans72.913.1177.600000114.7D359D359-G362 PolarHBondContact O-N 3.02Å; D359-G362 PolarHBondContact OD1-N 2.83Å; D359-G362 VanDerWaalsContact OD1-N 3.09Å
363R84.9Confident88.4Confident164 Ų16471.2 Ų71.262%0.61938%0.379SS*.PPolyproline II helixtrans-95.6150.8-178.9-58.8179.7171.2-167.5-4110.9Q358 D359 N361 R365Q358-R363 CarbonylContact C-O 3.58Å; Q358-R363 WeakPolarHBondContact CA-O 3.48Å; D359-R363 PolarHBondContact N-O 3.07Å; D359-R363 PolarHBondContact OD1-N 2.96Å; N361-R363 VanDerWaalsContact C-N 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å; R363-R365 PolarHBondContact O-N 3.4Å
364P87.2Confident88.7Confident50 Ų5070.9 Ų70.933%0.32538%0.377SS..BIsolated β-bridgetrans-54.8128.3175.5-23.132.4000112L353 C357 T370L353-P364 HydrophobicContact CD1-CB 3.73Å; L353-P364 HydrophobicContact CD1-CG 3.81Å; C357-P364 WeakPolarHBondContact O-CA 3.28Å; P364-T370 HydrophobicContact CB-CG2 4.25Å
365R91.4Very high89Confident98 Ų9866.8 Ų66.837%0.3736%0.358SS..PPolyproline II helixtrans-65.4133.7172.7-72.6175.160.5-97.4-18.8108.5L129 N356 C357 Q358 D359 R363 D367 T370L129-R365 WeakPolarHBondContact CD1-O 3.48Å; N356-R365 PolarHBondContact O-NH1 3.24Å; C357-R365 PolarHBondContact O-N 3.2Å; Q358-R365 VanDerWaalsContact C-CG 3.46Å; Q358-R365 WeakPolarHBondContact O-CD 3.35Å; D359-R365 HydrophobicContact CB-CG 4.37Å; R363-R365 PolarHBondContact O-N 3.4Å; R365-D367 IonicContact CZ-OD2 3.8Å; R365-D367 IonicContact NH1-OD1 2.76Å; R365-D367 IonicContact NH1-OD2 3.87Å; R365-D367 PolarHBondContact NH1-OD2 3.08Å; R365-D367 IonicContact NH2-OD2 2.9Å; R365-D367 PolarHBondContact NH2-OD2 3.45Å; R365-D367 PolarHBondContact O-N 2.94Å; R365-T370 VanDerWaalsContact O-CB 3.28Å; R365-T370 WeakPolarHBondContact O-CB 3.45Å; R365-T370 PolarHBondContact O-OG1 2.99Å; R365-T370 VanDerWaalsContact O-OG1 3.06Å
366R91.2Very high89.1Confident145 Ų14565.9 Ų65.955%0.54735%0.349SS..SBendtrans-81.751.8-176.7-58.8-164.7-16991.71.8112.3S126S126-R366 WeakPolarHBondContact OG-CD 3.34Å
367D91.9Very high89.2Confident44 Ų4461.3 Ų61.324%0.23532%0.324CS..SBendtrans-125.3160.6-175.875.8-18.2000113.3R365 G369 T370 I371R365-D367 IonicContact CZ-OD2 3.8Å; R365-D367 IonicContact NH1-OD1 2.76Å; R365-D367 IonicContact NH1-OD2 3.87Å; R365-D367 PolarHBondContact NH1-OD2 3.08Å; R365-D367 IonicContact NH2-OD2 2.9Å; R365-D367 PolarHBondContact NH2-OD2 3.45Å; R365-D367 PolarHBondContact O-N 2.94Å; D367-G369 PolarHBondContact O-N 2.94Å; D367-T370 PolarHBondContact O-N 2.78Å; D367-T370 VanDerWaalsContact O-N 3.1Å; D367-T370 WeakPolarHBondContact OD1-CB 3.25Å; D367-T370 PolarHBondContact OD1-N 3.39Å; D367-T370 PolarHBondContact OD1-OG1 2.8Å; D367-I371 PolarHBondContact O-N 2.98Å
368I92.1Very high89.2Confident72 Ų7262 Ų6237%0.36933%0.327SS..Hα-helixtrans-60.7-31178.8-64.4171.4000111.1L117 V125 T370 I371 L372L117-I368 HydrophobicContact CB-CG2 3.77Å; L117-I368 HydrophobicContact CD1-CG2 4.1Å; L117-I368 HydrophobicContact CD2-CG2 4.33Å; L117-I368 HydrophobicContact CG-CG2 4.28Å; V125-I368 HydrophobicContact CG2-CG1 3.97Å; I368-T370 VanDerWaalsContact C-N 3.29Å; I368-T370 PolarHBondContact O-N 2.75Å; I368-I371 WeakPolarHBondContact O-CB 3.49Å; I368-I371 PolarHBondContact O-N 2.65Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I368-L372 PolarHBondContact O-N 2.77Å
369G91.6Very high88.8Confident34 Ų3462.3 Ų62.335%0.35133%0.331SS..Hα-helixtrans-59.6-37.3174.900000113.2D367 L372 Q373D367-G369 PolarHBondContact O-N 2.94Å; G369-L372 PolarHBondContact O-N 2.86Å; G369-Q373 PolarHBondContact O-N 3.42Å
370T92.6Very high88.6Confident0 Ų061.7 Ų61.70%033%0.331CS..Hα-helixtrans-69.3-36.7175.2-60.30000112L129 L353 C357 P364 R365 D367 I368 Q373 I374L129-T370 HydrophobicContact CD1-CG2 4.22Å; L129-T370 HydrophobicContact CD2-CG2 4.14Å; L353-T370 HydrophobicContact CD1-CG2 3.88Å; C357-T370 HydrophobicContact CB-CG2 4.22Å; P364-T370 HydrophobicContact CB-CG2 4.25Å; R365-T370 VanDerWaalsContact O-CB 3.28Å; R365-T370 WeakPolarHBondContact O-CB 3.45Å; R365-T370 PolarHBondContact O-OG1 2.99Å; R365-T370 VanDerWaalsContact O-OG1 3.06Å; D367-T370 PolarHBondContact O-N 2.78Å; D367-T370 VanDerWaalsContact O-N 3.1Å; D367-T370 WeakPolarHBondContact OD1-CB 3.25Å; D367-T370 PolarHBondContact OD1-N 3.39Å; D367-T370 PolarHBondContact OD1-OG1 2.8Å; I368-T370 VanDerWaalsContact C-N 3.29Å; I368-T370 PolarHBondContact O-N 2.75Å; T370-Q373 PolarHBondContact O-N 2.79Å; T370-I374 HydrophobicContact CG2-CD1 4.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.3Å; T370-I374 PolarHBondContact O-N 3.38Å; T370-I374 VanDerWaalsContact O-N 3.15Å
371I92.6Very high88.5Confident0 Ų056.5 Ų56.50%030%0.296CS..Hα-helixtrans-64-44.1171.7-49.8-59.2000111.2L117 V125 F128 L129 L135 D367 I368 Q373 I374 L375L117-I371 HydrophobicContact CD2-CB 4.11Å; L117-I371 HydrophobicContact CD2-CG2 3.59Å; V125-I371 HydrophobicContact CG1-CD1 4.23Å; V125-I371 HydrophobicContact CG1-CG1 4.03Å; V125-I371 HydrophobicContact CG2-CG1 4.3Å; F128-I371 HydrophobicContact CD1-CD1 3.53Å; F128-I371 HydrophobicContact CE1-CD1 3.81Å; L129-I371 HydrophobicContact CD1-CD1 3.81Å; L129-I371 HydrophobicContact CD2-CD1 3.94Å; L129-I371 HydrophobicContact CG-CD1 3.77Å; L135-I371 HydrophobicContact CD2-CD1 4.2Å; L135-I371 HydrophobicContact CD2-CG2 3.71Å; D367-I371 PolarHBondContact O-N 2.98Å; I368-I371 WeakPolarHBondContact O-CB 3.49Å; I368-I371 PolarHBondContact O-N 2.65Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I371-Q373 VanDerWaalsContact C-N 3.32Å; I371-Q373 PolarHBondContact O-N 2.83Å; I371-I374 PolarHBondContact O-N 2.91Å; I371-L375 HydrophobicContact CG2-CD1 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å
372L91.2Very high88.1Confident62 Ų6252.3 Ų52.333%0.32527%0.274SS..Hα-helixtrans-59.9-41.3177.8-178.667.1000111.5V113 L117 I368 G369 L375 N376V113-L372 HydrophobicContact CG1-CD1 3.82Å; L117-L372 HydrophobicContact CD1-CB 3.95Å; L117-L372 HydrophobicContact CD1-CD1 3.78Å; L117-L372 HydrophobicContact CD1-CG 4.43Å; I368-L372 PolarHBondContact O-N 2.77Å; G369-L372 PolarHBondContact O-N 2.86Å; L372-L375 PolarHBondContact O-N 3.15Å; L372-N376 WeakPolarHBondContact O-CB 3.28Å; L372-N376 PolarHBondContact O-N 3.02Å; L372-N376 PolarHBondContact O-ND2 3.31Å
373Q90.6Very high87.4Confident57 Ų5754.1 Ų54.127%0.26627%0.266SS..Hα-helixtrans-64.1-44.6176-169.362.550.400111.9G369 T370 I371 L375 N376 D377G369-Q373 PolarHBondContact O-N 3.42Å; T370-Q373 PolarHBondContact O-N 2.79Å; I371-Q373 VanDerWaalsContact C-N 3.32Å; I371-Q373 PolarHBondContact O-N 2.83Å; Q373-L375 VanDerWaalsContact C-N 3.32Å; Q373-L375 PolarHBondContact O-N 2.87Å; Q373-N376 PolarHBondContact O-N 3.27Å; Q373-D377 PolarHBondContact NE2-OD1 3.34Å; Q373-D377 WeakPolarHBondContact O-CB 3.35Å; Q373-D377 PolarHBondContact O-N 2.79Å
374I91.3Very high86.4Confident28 Ų2853.5 Ų53.514%0.14427%0.27CS..Hα-helixtrans-56.3-47175.5-68164.2000110.5F128 L129 L150 L353 T370 I371 D377 L378F128-I374 HydrophobicContact CE1-CD1 4.27Å; L129-I374 HydrophobicContact CD2-CD1 4.04Å; L150-I374 HydrophobicContact CD1-CG2 4.15Å; L353-I374 HydrophobicContact CD2-CD1 4.32Å; L353-I374 HydrophobicContact CD2-CG1 3.67Å; T370-I374 HydrophobicContact CG2-CD1 4.48Å; T370-I374 WeakPolarHBondContact O-CG1 3.3Å; T370-I374 PolarHBondContact O-N 3.38Å; T370-I374 VanDerWaalsContact O-N 3.15Å; I371-I374 PolarHBondContact O-N 2.91Å; I374-D377 PolarHBondContact O-N 3.48Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.34Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.2Å; I374-L378 PolarHBondContact O-N 3.03Å
375L90Very high85.6Confident7 Ų755.7 Ų55.74%0.03727%0.272CS..Hα-helixtrans-63-43.2178.1-69.7168.2000112.5V113 L117 L137 L150 I371 L372 Q373 L378 L379V113-L375 HydrophobicContact CG1-CD1 4.04Å; L117-L375 HydrophobicContact CD1-CD1 4.42Å; L117-L375 HydrophobicContact CD2-CD1 4.14Å; L137-L375 HydrophobicContact CD1-CD1 3.68Å; L137-L375 HydrophobicContact CD1-CD2 4.02Å; L137-L375 HydrophobicContact CD1-CG 4.41Å; L150-L375 HydrophobicContact CD1-CD2 3.95Å; I371-L375 HydrophobicContact CG2-CD1 4.22Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å; L372-L375 PolarHBondContact O-N 3.15Å; Q373-L375 VanDerWaalsContact C-N 3.32Å; Q373-L375 PolarHBondContact O-N 2.87Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.38Å; L375-L379 PolarHBondContact O-N 2.91Å
376N87.6Confident84Confident70 Ų7060.9 Ų60.937%0.37430%0.301SS..Hα-helixtrans-64.2-39.7177.7-76.6-29.5000112.5L372 Q373 S380L372-N376 WeakPolarHBondContact O-CB 3.28Å; L372-N376 PolarHBondContact O-N 3.02Å; L372-N376 PolarHBondContact O-ND2 3.31Å; Q373-N376 PolarHBondContact O-N 3.27Å; N376-S380 VanDerWaalsContact O-CB 3.23Å; N376-S380 WeakPolarHBondContact O-CB 3.3Å; N376-S380 PolarHBondContact O-N 3.4Å; N376-S380 PolarHBondContact O-OG 3.09Å
377D89Confident82.5Confident24 Ų2456.6 Ų56.613%0.12830%0.302CS..Hα-helixtrans-67.6-45.6177.6-75.12.7000111.1A332 Q373 I374 S380 A381A332-D377 HydrophobicContact CB-CB 3.91Å; Q373-D377 PolarHBondContact NE2-OD1 3.34Å; Q373-D377 WeakPolarHBondContact O-CB 3.35Å; Q373-D377 PolarHBondContact O-N 2.79Å; I374-D377 PolarHBondContact O-N 3.48Å; D377-S380 PolarHBondContact O-N 3.02Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.04Å
378L87.4Confident81.1Confident26 Ų2655.9 Ų55.914%0.13630%0.298CS..Hα-helixtrans-60.7-49.5175.7-69.9171.1000111.7L150 A332 F349 I374 L375 S380 A381 T382L150-L378 HydrophobicContact CD1-CD1 4.34Å; L150-L378 HydrophobicContact CD2-CD1 3.63Å; A332-L378 HydrophobicContact CB-CD2 4.4Å; F349-L378 HydrophobicContact CB-CD2 3.38Å; F349-L378 HydrophobicContact CD1-CD2 3.4Å; F349-L378 HydrophobicContact CD2-CD2 3.76Å; F349-L378 HydrophobicContact CE1-CD2 4Å; F349-L378 HydrophobicContact CE2-CD2 4.34Å; F349-L378 HydrophobicContact CG-CD2 3.25Å; F349-L378 HydrophobicContact CZ-CD2 4.45Å; I374-L378 HydrophobicContact CG2-CD1 3.78Å; I374-L378 HydrophobicContact CG2-CG 4.34Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 WeakPolarHBondContact O-CG 3.2Å; I374-L378 PolarHBondContact O-N 3.03Å; L375-L378 PolarHBondContact O-N 2.87Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 2.87Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.89Å; L378-T382 WeakPolarHBondContact O-CG2 3.39Å; L378-T382 PolarHBondContact O-N 3.3Å; L378-T382 VanDerWaalsContact O-N 3.09Å
379L83.1Confident79.6Confident73 Ų7353.6 Ų53.638%0.38229%0.287SS..Hα-helixtrans-61.1-39.1177-71.7170.1000111.2L375 T382 R383L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.23Å; L375-L379 WeakPolarHBondContact O-CG 3.38Å; L375-L379 PolarHBondContact O-N 2.91Å; L379-T382 PolarHBondContact O-N 2.85Å; L379-T382 PolarHBondContact O-OG1 2.67Å; L379-R383 PolarHBondContact O-N 3.06Å
380S82.8Confident78Confident49 Ų4956.6 Ų56.634%0.34330%0.301SS..Hα-helixtrans-65.6-42.7175.2-62.90000112.4N376 D377 L378 T382 R383 H384N376-S380 VanDerWaalsContact O-CB 3.23Å; N376-S380 WeakPolarHBondContact O-CB 3.3Å; N376-S380 PolarHBondContact O-N 3.4Å; N376-S380 PolarHBondContact O-OG 3.09Å; D377-S380 PolarHBondContact O-N 3.02Å; L378-S380 VanDerWaalsContact C-N 3.28Å; L378-S380 PolarHBondContact O-N 2.87Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 2.84Å; S380-R383 PolarHBondContact O-N 2.99Å; S380-H384 PolarHBondContact O-CD2 3.26Å; S380-H384 VanDerWaalsContact O-CD2 3.26Å
381A83.5Confident76.3Confident12 Ų1258.7 Ų58.710%0.09932%0.316CS..Hα-helixtrans-57.1-43.9175.700000111.8A332 I334 D377 L378 R383 H384 Y385A332-A381 HydrophobicContact CB-CB 4.41Å; A332-A381 VanDerWaalsContact O-CB 3.31Å; A332-A381 WeakPolarHBondContact O-CB 3.41Å; I334-A381 HydrophobicContact CD1-CB 4.38Å; I334-A381 HydrophobicContact CG1-CB 3.85Å; D377-A381 WeakPolarHBondContact O-CB 3.42Å; D377-A381 PolarHBondContact O-N 3.04Å; L378-A381 WeakPolarHBondContact O-CB 3.44Å; L378-A381 PolarHBondContact O-N 2.89Å; A381-R383 PolarHBondContact O-N 2.95Å; A381-H384 PolarHBondContact O-N 3.38Å; A381-H384 VanDerWaalsContact O-N 3.1Å; A381-Y385 PolarHBondContact O-N 2.74Å
382T76.1Confident74.8Confident35 Ų3560 Ų6022%0.21532%0.323CS..Hα-helixtrans-63.1-25177.367.60000113.8I334 F349 L378 L379 S380 H384 M388I334-T382 HydrophobicContact CD1-CG2 4.09Å; F349-T382 HydrophobicContact CE1-CG2 4.41Å; L378-T382 WeakPolarHBondContact O-CG2 3.39Å; L378-T382 PolarHBondContact O-N 3.3Å; L378-T382 VanDerWaalsContact O-N 3.09Å; L379-T382 PolarHBondContact O-N 2.85Å; L379-T382 PolarHBondContact O-OG1 2.67Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 2.84Å; T382-H384 VanDerWaalsContact C-N 3.29Å; T382-H384 PolarHBondContact O-N 3.1Å; T382-M388 HydrophobicContact CG2-CE 3.94Å
383R67.1Low73.4Confident87 Ų8759.6 Ų59.633%0.32832%0.323SS..THydrogen-bonded Turntrans-77.4-11.4176.9-66.3-156.3-69.2-1460.9114.1L379 S380 A381 R396L379-R383 PolarHBondContact O-N 3.06Å; S380-R383 PolarHBondContact O-N 2.99Å; A381-R383 PolarHBondContact O-N 2.95Å; R383-R396 HydrophobicContact CG-CG 4.44Å; R383-R396 PolarHBondContact O-NH1 3.37Å
384H65.2Low71.9Confident150 Ų15063.4 Ų63.469%0.69434%0.34SS*.THydrogen-bonded Turntrans-111-10.2179.7-65.6-61.4000114.3S380 A381 T382 Q386S380-H384 PolarHBondContact O-CD2 3.26Å; S380-H384 VanDerWaalsContact O-CD2 3.26Å; A381-H384 PolarHBondContact O-N 3.38Å; A381-H384 VanDerWaalsContact O-N 3.1Å; T382-H384 VanDerWaalsContact C-N 3.29Å; T382-H384 PolarHBondContact O-N 3.1Å; H384-Q386 PolarHBondContact O-N 2.73Å
385Y69.9Low70.3Confident96 Ų9664 Ų6438%0.37634%0.344SS..  trans-77.7109.8177.3-168.4-94.5000111.2I334 A381 G387 M388I334-Y385 HydrophobicContact CB-CD2 4.02Å; I334-Y385 HydrophobicContact CB-CE2 4.37Å; I334-Y385 HydrophobicContact CD1-CD2 4.13Å; I334-Y385 HydrophobicContact CD1-CG 4.05Å; I334-Y385 HydrophobicContact CG1-CD2 4.36Å; I334-Y385 HydrophobicContact CG2-CD2 4.43Å; I334-Y385 HydrophobicContact CG2-CE2 4.45Å; A381-Y385 PolarHBondContact O-N 2.74Å; Y385-G387 PolarHBondContact O-N 2.83Å; Y385-G387 VanDerWaalsContact O-N 3.11Å; Y385-M388 HydrophobicContact CD1-CE 3.79Å; Y385-M388 HydrophobicContact CD1-CG 3.99Å; Y385-M388 HydrophobicContact CD1-SD 4.21Å; Y385-M388 HydrophobicContact CG-CE 3.98Å; Y385-M388 WeakPolarHBondContact O-CG 3.24Å; Y385-M388 PolarHBondContact O-N 2.76Å
386Q58.2Low68.7Low207 Ų20768.4 Ų68.497%0.96736%0.36SS*.THydrogen-bonded Turntrans-68.9-8-171.4-108.5177.2-29.200115.4H384H384-Q386 PolarHBondContact O-N 2.73Å
387G59.8Low66.9Low56 Ų5673.2 Ų73.258%0.57737%0.374SS*.THydrogen-bonded Turntrans-104.620.4179.200000115.5Y385Y385-G387 PolarHBondContact O-N 2.83Å; Y385-G387 VanDerWaalsContact O-N 3.11Å
388M62.3Low65Low29 Ų2976.8 Ų76.814%0.14339%0.39CS..  trans-72.6139-175.3-79.6-61.3171.400113.8I334 F337 T382 Y385 L392I334-M388 HydrophobicContact CD1-CE 3.37Å; F337-M388 HydrophobicContact CD1-CE 4.23Å; F337-M388 HydrophobicContact CD1-SD 4.07Å; F337-M388 HydrophobicContact CD2-CE 3.87Å; F337-M388 HydrophobicContact CE1-CE 4.29Å; F337-M388 HydrophobicContact CE1-SD 3.72Å; F337-M388 HydrophobicContact CE2-CE 3.93Å; F337-M388 HydrophobicContact CE2-SD 4.19Å; F337-M388 HydrophobicContact CG-CE 4.02Å; F337-M388 HydrophobicContact CG-SD 4.45Å; F337-M388 HydrophobicContact CZ-CE 4.14Å; F337-M388 HydrophobicContact CZ-SD 3.78Å; T382-M388 HydrophobicContact CG2-CE 3.94Å; Y385-M388 HydrophobicContact CD1-CE 3.79Å; Y385-M388 HydrophobicContact CD1-CG 3.99Å; Y385-M388 HydrophobicContact CD1-SD 4.21Å; Y385-M388 HydrophobicContact CG-CE 3.98Å; Y385-M388 WeakPolarHBondContact O-CG 3.24Å; Y385-M388 PolarHBondContact O-N 2.76Å; M388-L392 HydrophobicContact SD-CD1 3.62Å
389P59Low63Low23 Ų2377.9 Ų77.915%0.14940%0.398CS..  trans-71.9153.6178.928.7-33.7000112.5F337 F345 S391 L392 T393F337-P389 HydrophobicContact CE1-CG 4.26Å; F345-P389 HydrophobicContact CD1-CG 4.2Å; F345-P389 HydrophobicContact CE1-CB 4.43Å; F345-P389 HydrophobicContact CE1-CG 3.55Å; F345-P389 HydrophobicContact CZ-CG 4.07Å; P389-S391 PolarHBondContact O-N 3Å; P389-L392 PolarHBondContact O-N 3.25Å; P389-T393 PolarHBondContact O-N 2.95Å
390P58.4Low61.2Low98 Ų9879.2 Ų79.264%0.63640%0.402SS*.Hα-helixtrans-55.2-31.6-172.8-29.636.2000115.4L392 T393 Q394P390-L392 VanDerWaalsContact C-N 3.35Å; P390-L392 PolarHBondContact O-N 3.11Å; P390-T393 WeakPolarHBondContact CA-OG1 3.41Å; P390-T393 CarbonylContact O-C 3.5Å; P390-T393 WeakPolarHBondContact O-CA 3.38Å; P390-T393 PolarHBondContact O-N 2.83Å; P390-T393 PolarHBondContact O-OG1 2.87Å; P390-Q394 PolarHBondContact O-N 2.95Å
391S57.7Low58.8Low44 Ų4480.6 Ų80.631%0.30841%0.411SS..Hα-helixtrans-60.5-37.1177.249.20000113.8F345 P389 Q394 L395F345-S391 WeakPolarHBondContact CZ-OG 3.38Å; P389-S391 PolarHBondContact O-N 3Å; S391-Q394 PolarHBondContact O-N 2.81Å; S391-L395 PolarHBondContact O-N 2.89Å
392L60.8Low56.9Low28 Ų2883.6 Ų83.615%0.14744%0.443CS..Hα-helixtrans-76.4-26.6173-75.5-176.8000111.9F337 F345 M388 P389 P390 L395 R396F337-L392 HydrophobicContact CE1-CD1 4.4Å; F337-L392 HydrophobicContact CE2-CD1 4.13Å; F337-L392 HydrophobicContact CZ-CD1 3.54Å; F345-L392 HydrophobicContact CD2-CG 4.45Å; F345-L392 HydrophobicContact CE2-CG 4.4Å; M388-L392 HydrophobicContact SD-CD1 3.62Å; P389-L392 PolarHBondContact O-N 3.25Å; P390-L392 VanDerWaalsContact C-N 3.35Å; P390-L392 PolarHBondContact O-N 3.11Å; L392-L395 HydrophobicContact CD2-CD1 4.05Å; L392-L395 WeakPolarHBondContact O-CB 3.34Å; L392-L395 PolarHBondContact O-N 2.74Å; L392-R396 PolarHBondContact O-N 2.81Å
393T60.7Low54.9Low53 Ų5386.8 Ų86.833%0.32547%0.467SS..Hα-helixtrans-71.9-32170.868.90000112.7P389 P390 R396 Y397P389-T393 PolarHBondContact O-N 2.95Å; P390-T393 WeakPolarHBondContact CA-OG1 3.41Å; P390-T393 CarbonylContact O-C 3.5Å; P390-T393 WeakPolarHBondContact O-CA 3.38Å; P390-T393 PolarHBondContact O-N 2.83Å; P390-T393 PolarHBondContact O-OG1 2.87Å; T393-R396 CarbonylContact O-C 3.6Å; T393-R396 WeakPolarHBondContact O-CA 3.32Å; T393-R396 WeakPolarHBondContact O-CB 3.29Å; T393-R396 PolarHBondContact O-N 3.17Å; T393-Y397 WeakPolarHBondContact O-CD2 3.45Å; T393-Y397 PolarHBondContact O-N 3.23Å
394Q60.2Low53.5Low136 Ų13688 Ų8864%0.63649%0.486SS*.Hα-helixtrans-62.9-43.6170.1-73.8175.7-24.700111.3P390 S391 R396 Y397 Q398P390-Q394 PolarHBondContact O-N 2.95Å; S391-Q394 PolarHBondContact O-N 2.81Å; Q394-R396 VanDerWaalsContact C-N 3.28Å; Q394-R396 PolarHBondContact O-N 2.96Å; Q394-Y397 PolarHBondContact O-N 2.7Å; Q394-Q398 PolarHBondContact O-N 2.84Å; Q394-Q398 VanDerWaalsContact O-N 3.17Å
395L56.5Low52.4Low42 Ų4287.4 Ų87.422%0.2249%0.493CS..Hα-helixtrans-57.6-42.5172.6-145.8160000110.6V141 M146 S391 L392 Q398 T399V141-L395 HydrophobicContact CG1-CD2 4.05Å; V141-L395 HydrophobicContact CG1-CG 4.12Å; V141-L395 HydrophobicContact CG2-CD2 4.25Å; M146-L395 HydrophobicContact CE-CD1 4.22Å; M146-L395 HydrophobicContact SD-CD1 3.69Å; S391-L395 PolarHBondContact O-N 2.89Å; L392-L395 HydrophobicContact CD2-CD1 4.05Å; L392-L395 WeakPolarHBondContact O-CB 3.34Å; L392-L395 PolarHBondContact O-N 2.74Å; L395-Q398 PolarHBondContact O-N 3.01Å; L395-T399 HydrophobicContact CD2-CG2 4.25Å; L395-T399 WeakPolarHBondContact O-CG2 3.44Å; L395-T399 PolarHBondContact O-N 2.98Å
396R57.9Low50.5Low99 Ų9988.4 Ų88.437%0.37451%0.514SS..Hα-helixtrans-61.4-47.1172.4-177.6-175.2-173.5152.42.1113.3R383 L392 T393 Q394 Q398 T399 Q400R383-R396 HydrophobicContact CG-CG 4.44Å; R383-R396 PolarHBondContact O-NH1 3.37Å; L392-R396 PolarHBondContact O-N 2.81Å; T393-R396 CarbonylContact O-C 3.6Å; T393-R396 WeakPolarHBondContact O-CA 3.32Å; T393-R396 WeakPolarHBondContact O-CB 3.29Å; T393-R396 PolarHBondContact O-N 3.17Å; Q394-R396 VanDerWaalsContact C-N 3.28Å; Q394-R396 PolarHBondContact O-N 2.96Å; R396-Q398 VanDerWaalsContact C-N 3.26Å; R396-Q398 PolarHBondContact O-N 3.42Å; R396-T399 WeakPolarHBondContact CA-OG1 3.42Å; R396-T399 WeakPolarHBondContact O-CA 3.39Å; R396-T399 PolarHBondContact O-N 3.12Å; R396-T399 PolarHBondContact O-OG1 3.1Å; R396-Q400 HydrophobicContact CG-CG 4.47Å; R396-Q400 PolarHBondContact O-N 3.22Å
397Y48.5Very low49.6Very low170 Ų17084.4 Ų84.467%0.66751%0.506SS*.Hα-helixtrans-57.2-40.3179.6-87-72.7000112T393 Q394 T399 C401T393-Y397 WeakPolarHBondContact O-CD2 3.45Å; T393-Y397 PolarHBondContact O-N 3.23Å; Q394-Y397 PolarHBondContact O-N 2.7Å; Y397-T399 PolarHBondContact O-N 2.91Å; Y397-C401 PolarHBondContact O-N 3.27Å
398Q49.5Very low48.3Very low100 Ų10086.9 Ų86.947%0.46751%0.514SS..Hα-helixtrans-72.5-15.3176.6-144.9-179.388.700113.5V141 G142 Q394 L395 R396V141-Q398 PolarHBondContact O-OE1 2.85Å; G142-Q398 VanDerWaalsContact CA-OE1 3.25Å; Q394-Q398 PolarHBondContact O-N 2.84Å; Q394-Q398 VanDerWaalsContact O-N 3.17Å; L395-Q398 PolarHBondContact O-N 3.01Å; R396-Q398 VanDerWaalsContact C-N 3.26Å; R396-Q398 PolarHBondContact O-N 3.42Å
399T46Very low47.1Very low49 Ų4991 Ų9130%0.30154%0.543SS..Hα-helixtrans-94.9-11.2177.669.40000115.1P109 L395 R396 Y397P109-T399 HydrophobicContact CB-CG2 4.08Å; P109-T399 HydrophobicContact CG-CG2 3.55Å; L395-T399 HydrophobicContact CD2-CG2 4.25Å; L395-T399 WeakPolarHBondContact O-CG2 3.44Å; L395-T399 PolarHBondContact O-N 2.98Å; R396-T399 WeakPolarHBondContact CA-OG1 3.42Å; R396-T399 WeakPolarHBondContact O-CA 3.39Å; R396-T399 PolarHBondContact O-N 3.12Å; R396-T399 PolarHBondContact O-OG1 3.1Å; Y397-T399 PolarHBondContact O-N 2.91Å
400Q44.3Very low46.1Very low101 Ų10195 Ų9547%0.47257%0.572SS.*Hα-helixtrans-126.1-0.2-171.7-59.9-157.2-98.600114.9R396R396-Q400 HydrophobicContact CG-CG 4.47Å; R396-Q400 PolarHBondContact O-N 3.22Å
401C32.4Very low45.5Very low77 Ų7795.8 Ų95.852%0.5258%0.577SS.*  trans-129.9123.3-177.4-69.30000111.6Y397Y397-C401 PolarHBondContact O-N 3.27Å
402G44.9Very low44.9Very low76 Ų7699.3 Ų99.378%0.78460%0.599SS**SBendcis64.843.4-400000113.5P404G402-P404 WeakPolarHBondContact O-CD 3.34Å
403S33.2Very low44Very low102 Ų102103.8 Ų103.871%0.71363%0.63SS**PPolyproline II helixtrans-55.4137.5-170.854.50000114.5
404P37.4Very low43.2Very low113 Ų113106.7 Ų106.773%0.73465%0.652SS**PPolyproline II helix-97.5156.4124.732.4-32.6000110.9G402G402-P404 WeakPolarHBondContact O-CD 3.34Å
405T42.4Very low42.7Very low137 Ų137105.6 Ų105.684%0.8466%0.657SS**PPolyproline II helixtrans-75.3145.5175.539.90000112.1
406S30.6Very low41.9Very low116 Ų116109.4 Ų109.481%0.81168%0.684SS**  trans-157.6145.5157.5-80.90000109.5
407P39.9Very low41Very low123 Ų123112 Ų11280%0.79971%0.71SS**PPolyproline II helixtrans-75.7151.9-170.730.4-35.6000112.8
408S32.3Very low40.3Very low108 Ų108108.2 Ų108.276%0.75572%0.715SS**PPolyproline II helixtrans-66134.6168.2-175.40000110
409P36.5Very low39.4Very low115 Ų115107 Ų10775%0.74773%0.729SS**PPolyproline II helixtrans-62.4141.6163.428.4-33.2000109.5
410S37.1Very low38.8Very low107 Ų107114 Ų11475%0.74876%0.76SS**PPolyproline II helixtrans-75.7153.3173.2-51.40000110.9
411P46.7Very low38.3Very low116 Ų116116.3 Ų116.375%0.75378%0.782SS**PPolyproline II helixtrans-64.5148.8171.328.8-35000111
412P45.7Very low38.1Very low117 Ų117116 Ų11676%0.7679%0.791SS**PPolyproline II helixtrans-69.1148.9177.229.9-35.2000111.5
413P42.3Very low37.5Very low123 Ų123120.7 Ų120.780%0.79980%0.797SS**PPolyproline II helixtrans-71.1145.5173.330.6-34.5000111.4
414S43Very low37.5Very low114 Ų114121.3 Ų121.380%0.79780%0.802SS**PPolyproline II helixtrans-62.2145.2170.3-57.50000111.3
415P50.3Low37.2Very low113 Ų113120.4 Ų120.473%0.73480%0.804SS**PPolyproline II helixtrans-71.4149.5-177.729.9-35.8000112.4
416P38.5Very low36.5Very low121 Ų121123.2 Ų123.279%0.78680%0.804SS**PPolyproline II helixtrans-71.6133.7169.630.6-33.5000110.5
417V38.8Very low36.5Very low154 Ų154121.7 Ų121.793%0.93380%0.799SS**PPolyproline II helixtrans-82118.5167.9175.30000108.3
418A34.8Very low36Very low91 Ų91121.6 Ų121.675%0.75280%0.796SS**  trans-135123.2179.100000111.7
419G30.3Very low35.9Very low74 Ų74121.8 Ų121.876%0.76380%0.797SS**  trans77.594.5152.500000118.6
420M33.1Very low35.7Very low196 Ų196122.7 Ų122.797%0.96680%0.801SS**  trans-124.8150.8132.5-74.4-168.472.800108.9
421T33.3Very low36.6Very low150 Ų150123 Ų12392%0.9280%0.8SS**  trans-97150.9-159.348.30000113.9
422G28.9Very low35.8Very low70 Ų70122.6 Ų122.672%0.72281%0.806SS**  trans173.998.9167.400000118.3
423L33.5Very low35Very low174 Ų174120.8 Ų120.891%0.91181%0.809SS**  trans66100.5141.6-51.3-178.5000122.1
424S31.7Very low34.5Very low116 Ų116120.4 Ų120.481%0.81181%0.809SS**  84.6127.5117-152.50000123.2
425A31.8Very low35.1Very low93 Ų93120.4 Ų120.477%0.76981%0.807SS**  trans66156.7154.100000120.2
426K28.5Very low35.1Very low196 Ų196120.5 Ų120.585%0.85281%0.807SS**  cis-171.6143.4-33.5173.7174174.9-179.10107.9
427A29.2Very low35.7Very low84 Ų84120 Ų12069%0.69480%0.804SS**  trans66.4164.3167.600000116.7
428T30.1Very low35.3Very low121 Ų121119.4 Ų119.474%0.74280%0.801SS**  cis-167147.7-28-88.30000109.6
429S30.6Very low35.2Very low112 Ų112123.4 Ų123.478%0.78381%0.808SS**  trans63.9148.4159.466.50000123
430V32.7Very low35.4Very low135 Ų135128 Ų12882%0.81881%0.81SS**  trans-98.5179.4163.2-110.50000109.6
431P54.4Low36Very low114 Ų114124.7 Ų124.774%0.7480%0.803SS**  cis-138.8-175-5.736.1-14.9000116.8
432A30.7Very low36.2Very low107 Ų107124.7 Ų124.788%0.88480%0.797SS**  trans74.7145.8142.600000123.2
433G27.9Very low36.5Very low79 Ų79127.9 Ų127.981%0.81480%0.801SS**  trans153.8126.1164.400000116.3
434S33.3Very low36.7Very low114 Ų114128 Ų12880%0.79780%0.797SS**  trans-171.8172.4168.768.30000109.8
435P56Low37Very low115 Ų115128.3 Ų128.375%0.74780%0.798SS**  cis-118.9-125.8-12.932-8000108.5
436P49.6Very low37Very low114 Ų114132.4 Ų132.474%0.7480%0.801SS**  cis-120.7-99.2-2922.73.8000117.1
437P50.6Low37.9Very low111 Ų111128.6 Ų128.672%0.72180%0.799SS**  trans-139.9161.9-13643.1-22.4000120.5
438T30.3Very low38.3Very low141 Ų141131 Ų13187%0.86580%0.797SS**  trans-140.9100.9157.552.40000114
439L33.1Very low39.2Very low175 Ų175132.8 Ų132.892%0.91680%0.8SS**  trans28.7139.3147.8-59.3175.6000124.1
440H34.2Very low40Very low171 Ų171137.4 Ų137.479%0.79280%0.8SS**  trans-72.5166.9164.1-110.4-91.2000113.2
441P44.9Very low40.5Very low126 Ų126139 Ų13982%0.81880%0.801SS**  -113.3166.2112.3-13.331.1000114.7
442L38.2Very low40Very low151 Ų151139.8 Ų139.879%0.79181%0.807SS**  trans-121.1133.4-171.8170.7151.8000111.4
443V36.2Very low41.3Very low136 Ų136142 Ų14282%0.82480%0.797SS**  trans-14098162.8-176.10000110.8
444Q36.3Very low42.3Very low177 Ų177142 Ų14283%0.82778%0.783SS**  trans57.9138.3138.8-145.9160.71200121.9
445C38.3Very low43.5Very low122 Ų122142.1 Ų142.182%0.82478%0.781SS**  trans-75.1149.8-174.7-52.70000114.4
446Q32.6Very low43.4Very low179 Ų179138.4 Ų138.484%0.83676%0.763SS**  -144.7126.5129.5-138.6-173.3106.600111.8
447S47.9Very low43.7Very low116 Ų116135.3 Ų135.381%0.81174%0.741SS**  trans-84.5115.3178.851.40000110.9
448Q36.5Very low44.4Very low136 Ų136139 Ų13964%0.63674%0.74SS**  trans-134.7105.2171.9-161.4171.573.700112.1R450Q448-R450 PolarHBondContact O-N 3.32Å
449I50.3Low46Very low158 Ų158138 Ų13881%0.8173%0.728SS**  trans-69.494.7178.8-58.2166.8000109M451I449-M451 PolarHBondContact O-N 3.17Å; I449-M451 VanDerWaalsContact O-N 3.14Å
450R46.1Very low47.6Very low209 Ų209137.3 Ų137.379%0.78971%0.713SS**  trans-78.696.6167.9-69.7-164.5-171.1-1331.7109.5Q448 C452Q448-R450 PolarHBondContact O-N 3.32Å; R450-C452 PolarHBondContact O-N 2.84Å
451M42.9Very low49.3Very low169 Ų169135.9 Ų135.983%0.83371%0.707SS**  trans-41.1125170-71.9-75.3-80.800111.5I449 K453I449-M451 PolarHBondContact O-N 3.17Å; I449-M451 VanDerWaalsContact O-N 3.14Å; M451-K453 PolarHBondContact O-N 3.42Å
452C44.7Very low50.3Low130 Ų130134.5 Ų134.588%0.87870%0.696SS**  trans-67.9103.5178.5-74.10000110.6R450R450-C452 PolarHBondContact O-N 2.84Å
453K57.7Low51.6Low153 Ų153133.1 Ų133.167%0.66569%0.686SS**  trans-60.7126.8171.9-163.571158.8128.50108.6M451 D457M451-K453 PolarHBondContact O-N 3.42Å; K453-D457 WeakPolarHBondContact CE-OD2 3.44Å; K453-D457 HydrophobicContact CG-CB 4.15Å; K453-D457 IonicContact NZ-OD2 2.74Å; K453-D457 PolarHBondContact NZ-OD2 3.42Å
454P48.8Very low53.5Low79 Ų79131 Ų13151%0.51367%0.67SS.*  trans-62.1142.1-174.524.5-33.9000111.3G456 D457P454-G456 PolarHBondContact O-N 3.25Å; P454-D457 PolarHBondContact O-N 2.76Å
455P58.2Low55.6Low117 Ų117131.7 Ų131.776%0.7667%0.665SS**Hα-helixtrans-60.5-26.5-166.920-32.1000114.3D457 R458P455-D457 VanDerWaalsContact C-N 3.26Å; P455-D457 PolarHBondContact O-N 2.8Å; P455-R458 PolarHBondContact O-N 2.92Å
456G54Low57.7Low37 Ų37128.1 Ų128.138%0.38164%0.644SS.*Hα-helixtrans-60.2-28.517600000114.7P454 R458 I459 R460P454-G456 PolarHBondContact O-N 3.25Å; G456-R458 PolarHBondContact O-N 2.84Å; G456-I459 PolarHBondContact O-N 3.3Å; G456-R460 WeakPolarHBondContact O-CG 3.42Å; G456-R460 PolarHBondContact O-N 2.84Å; G456-R460 VanDerWaalsContact O-N 3.07Å
457D57Low60.4Low49 Ų49122.9 Ų122.926%0.26262%0.624SS.*Hα-helixtrans-66.6-37.4179.4-84.6-17.7000112K453 P454 P455 Q461K453-D457 WeakPolarHBondContact CE-OD2 3.44Å; K453-D457 HydrophobicContact CG-CB 4.15Å; K453-D457 IonicContact NZ-OD2 2.74Å; K453-D457 PolarHBondContact NZ-OD2 3.42Å; P454-D457 PolarHBondContact O-N 2.76Å; P455-D457 VanDerWaalsContact C-N 3.26Å; P455-D457 PolarHBondContact O-N 2.8Å; D457-Q461 VanDerWaalsContact O-CB 3.26Å; D457-Q461 WeakPolarHBondContact O-CB 3.38Å; D457-Q461 PolarHBondContact O-N 3.38Å
458R64.1Low62.3Low188 Ų188126.3 Ų126.371%0.70962%0.62SS**Hα-helixtrans-70.9-34.6179.1-56.6-157.880.4-165.44.8112P455 G456 T462P455-R458 PolarHBondContact O-N 2.92Å; G456-R458 PolarHBondContact O-N 2.84Å; R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 VanDerWaalsContact O-N 3.08Å; R458-T462 PolarHBondContact O-OG1 3.35Å
459I64.5Low64.9Low121 Ų121123 Ų12362%0.62161%0.611SS**Hα-helixtrans-66.4-48.6175.7-130.770.8000110.3G456 Q461 T462 E463G456-I459 PolarHBondContact O-N 3.3Å; I459-Q461 PolarHBondContact O-N 2.69Å; I459-T462 PolarHBondContact O-N 2.95Å; I459-E463 PolarHBondContact O-N 3.04Å
460R66.1Low67Low159 Ų159122.6 Ų122.660%0.660%0.603SS**Hα-helixtrans-64-37.3178.8-67175.578.5-148.76.6112.3G456 N464G456-R460 WeakPolarHBondContact O-CG 3.42Å; G456-R460 PolarHBondContact O-N 2.84Å; G456-R460 VanDerWaalsContact O-N 3.07Å; R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 3.03Å; R460-N464 PolarHBondContact O-ND2 3.23Å
461Q69.3Low69.4Low142 Ų142116 Ų11666%0.66459%0.586SS**Hα-helixtrans-68.7-36.6176.8-167174.529.100112.1D457 I459 R465D457-Q461 VanDerWaalsContact O-CB 3.26Å; D457-Q461 WeakPolarHBondContact O-CB 3.38Å; D457-Q461 PolarHBondContact O-N 3.38Å; I459-Q461 PolarHBondContact O-N 2.69Å; Q461-R465 PolarHBondContact O-N 2.84Å; Q461-R465 VanDerWaalsContact O-N 3.11Å
462T65.8Low71.8Confident96 Ų96114 Ų11459%0.58958%0.575SS**Hα-helixtrans-68.8-44.2175.9-55.70000111.3R458 I459 R465 A466R458-T462 WeakPolarHBondContact O-CB 3.31Å; R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 VanDerWaalsContact O-N 3.08Å; R458-T462 PolarHBondContact O-OG1 3.35Å; I459-T462 PolarHBondContact O-N 2.95Å; T462-R465 WeakPolarHBondContact O-CB 3.34Å; T462-R465 PolarHBondContact O-N 3.31Å; T462-A466 PolarHBondContact O-N 3.49Å
463E66.8Low74.2Confident123 Ų123116.6 Ų116.658%0.57557%0.566SS**Hα-helixtrans-59.4-46.8173.5-176.6-178-161.700111.8I459 R465 A466 T467I459-E463 PolarHBondContact O-N 3.04Å; E463-R465 VanDerWaalsContact C-N 3.29Å; E463-R465 PolarHBondContact O-N 3.09Å; E463-A466 PolarHBondContact O-N 3.22Å; E463-A466 VanDerWaalsContact O-N 3.12Å; E463-T467 PolarHBondContact O-N 3Å; E463-T467 PolarHBondContact O-OG1 3.5Å
464N76.3Confident76.1Confident90 Ų90114 Ų11448%0.48156%0.559SS.*Hα-helixtrans-59.6-37.6176.4-89.6-92.4000112.4R460 R468R460-N464 WeakPolarHBondContact O-CB 3.41Å; R460-N464 PolarHBondContact O-N 3.03Å; R460-N464 PolarHBondContact O-ND2 3.23Å; N464-R468 WeakPolarHBondContact O-CG 3.2Å; N464-R468 PolarHBondContact O-N 2.93Å
465R79.4Confident78.3Confident192 Ų192116.3 Ų116.373%0.72556%0.563SS**Hα-helixtrans-64.5-46.8173.2-170.7-177.7-177-162.81.7111.3Q461 T462 E463 T467 R468 C469Q461-R465 PolarHBondContact O-N 2.84Å; Q461-R465 VanDerWaalsContact O-N 3.11Å; T462-R465 WeakPolarHBondContact O-CB 3.34Å; T462-R465 PolarHBondContact O-N 3.31Å; E463-R465 VanDerWaalsContact C-N 3.29Å; E463-R465 PolarHBondContact O-N 3.09Å; R465-T467 VanDerWaalsContact C-N 3.31Å; R465-T467 PolarHBondContact O-N 3.14Å; R465-R468 PolarHBondContact O-N 2.94Å; R465-C469 PolarHBondContact O-N 3.1Å; R465-C469 VanDerWaalsContact O-N 3.1Å; R465-C469 PolarHBondContact O-SG 3.05Å
466A82.2Confident80.2Confident47 Ų47116 Ų11639%0.38855%0.554SS.*Hα-helixtrans-61.6-39.1177.700000112.2T462 E463 K470T462-A466 PolarHBondContact O-N 3.49Å; E463-A466 PolarHBondContact O-N 3.22Å; E463-A466 VanDerWaalsContact O-N 3.12Å; A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 VanDerWaalsContact O-CG 3.29Å; A466-K470 WeakPolarHBondContact O-CG 3.05Å; A466-K470 PolarHBondContact O-N 3.46Å
467T89.9Confident82.3Confident69 Ų69118.3 Ų118.342%0.42356%0.557SS.*Hα-helixtrans-66-42.2175.5-65.60000112E463 R465 K470 V471E463-T467 PolarHBondContact O-N 3Å; E463-T467 PolarHBondContact O-OG1 3.5Å; R465-T467 VanDerWaalsContact C-N 3.31Å; R465-T467 PolarHBondContact O-N 3.14Å; T467-K470 PolarHBondContact O-N 2.93Å; T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.91Å
468R87.8Confident84.1Confident189 Ų189121.6 Ų121.671%0.71357%0.573SS**Hα-helixtrans-57.8-51.3173.5-75177-178.6-168.6-0.9111.9N464 R465 K470 V471 E472N464-R468 WeakPolarHBondContact O-CG 3.2Å; N464-R468 PolarHBondContact O-N 2.93Å; R465-R468 PolarHBondContact O-N 2.94Å; R468-K470 VanDerWaalsContact C-N 3.29Å; R468-K470 PolarHBondContact O-N 3.44Å; R468-V471 PolarHBondContact O-N 2.9Å; R468-V471 VanDerWaalsContact O-N 3.14Å; R468-E472 WeakPolarHBondContact O-CB 3.41Å; R468-E472 PolarHBondContact O-N 3.33Å
469C91.4Very high85.6Confident66 Ų66118.3 Ų118.345%0.44657%0.565SS.*Hα-helixtrans-63.9-31.5178.3-61.30000113.1R465 R473R465-C469 PolarHBondContact O-N 3.1Å; R465-C469 VanDerWaalsContact O-N 3.1Å; R465-C469 PolarHBondContact O-SG 3.05Å; C469-R473 WeakPolarHBondContact O-CB 3.3Å; C469-R473 PolarHBondContact O-N 3.25Å
470K94.8Very high87.1Confident149 Ų149117.6 Ų117.665%0.64856%0.559SS**Hα-helixtrans-67.4-42.5172-77.4172.5179.6177.90112.2A466 T467 R468 L474A466-K470 WeakPolarHBondContact O-CB 3.32Å; A466-K470 VanDerWaalsContact O-CG 3.29Å; A466-K470 WeakPolarHBondContact O-CG 3.05Å; A466-K470 PolarHBondContact O-N 3.46Å; T467-K470 PolarHBondContact O-N 2.93Å; R468-K470 VanDerWaalsContact C-N 3.29Å; R468-K470 PolarHBondContact O-N 3.44Å; K470-L474 WeakPolarHBondContact O-CB 3.37Å; K470-L474 PolarHBondContact O-N 3.23Å
471V95.3Very high88.4Confident71 Ų71116 Ų11643%0.4356%0.556SS.*Hα-helixtrans-66-44.5177.5169.40000111.1T467 R468 L474 Q475T467-V471 WeakPolarHBondContact O-CG2 3.35Å; T467-V471 PolarHBondContact O-N 2.91Å; R468-V471 PolarHBondContact O-N 2.9Å; R468-V471 VanDerWaalsContact O-N 3.14Å; V471-L474 CarbonylContact O-C 3.6Å; V471-L474 WeakPolarHBondContact O-CB 3.5Å; V471-L474 PolarHBondContact O-N 3.22Å; V471-L474 VanDerWaalsContact O-N 3.14Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.04Å
472E94.2Very high89.7Confident128 Ų128118.3 Ų118.360%0.59856%0.559SS**Hα-helixtrans-58.7-48.8175.3-177.6175.4-150.900111.7R468 L474 Q475 L476R468-E472 WeakPolarHBondContact O-CB 3.41Å; R468-E472 PolarHBondContact O-N 3.33Å; E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.84Å; E472-Q475 PolarHBondContact O-N 3.03Å; E472-L476 PolarHBondContact O-N 2.82Å
473R94.9Very high91Very high184 Ų184118.8 Ų118.869%0.69456%0.557SS**Hα-helixtrans-60.5-37.2173.3-171.7-179.3-176.3-141.62.5112.4C469 L477C469-R473 WeakPolarHBondContact O-CB 3.3Å; C469-R473 PolarHBondContact O-N 3.25Å; R473-L477 HydrophobicContact CG-CD1 4.32Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.3Å; R473-L477 WeakPolarHBondContact O-CG 3.41Å; R473-L477 PolarHBondContact O-N 3.29Å
474L97.1Very high92.2Very high98 Ų98121.2 Ų121.251%0.51356%0.561SS.*Hα-helixtrans-68.3-41176.6179.561.5000111.8K470 V471 E472 L477 M478K470-L474 WeakPolarHBondContact O-CB 3.37Å; K470-L474 PolarHBondContact O-N 3.23Å; V471-L474 CarbonylContact O-C 3.6Å; V471-L474 WeakPolarHBondContact O-CB 3.5Å; V471-L474 PolarHBondContact O-N 3.22Å; V471-L474 VanDerWaalsContact O-N 3.14Å; E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.84Å; L474-L477 PolarHBondContact O-N 3.35Å; L474-M478 HydrophobicContact CD1-CG 4.32Å; L474-M478 WeakPolarHBondContact O-CB 3.47Å; L474-M478 WeakPolarHBondContact O-CG 3.37Å; L474-M478 PolarHBondContact O-N 3.14Å
475Q96.1Very high92.8Very high128 Ų128123.7 Ų123.760%0.59856%0.564SS**Hα-helixtrans-60.8-45.9175-73.9176.1-7.100111.1V471 E472 L477 M478 Q479V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.04Å; E472-Q475 PolarHBondContact O-N 3.03Å; Q475-L477 PolarHBondContact O-N 3.41Å; Q475-M478 PolarHBondContact O-N 2.88Å; Q475-Q479 WeakPolarHBondContact O-CB 3.18Å; Q475-Q479 PolarHBondContact O-N 3.32Å
476L97.3Very high93.2Very high111 Ų111119.8 Ų119.858%0.58155%0.552SS**Hα-helixtrans-58.3-46174.4-175.866.7000111.9E472 M478 Q479 Q480E472-L476 PolarHBondContact O-N 2.82Å; L476-M478 PolarHBondContact O-N 3.35Å; L476-Q479 PolarHBondContact O-N 2.83Å; L476-Q480 WeakPolarHBondContact O-CB 3.35Å; L476-Q480 PolarHBondContact O-N 2.84Å
477L97.5Very high93.2Very high85 Ų85119.7 Ų119.745%0.44555%0.552SS.*Hα-helixtrans-63.9-37.5175.7-73.5168.6000112.5R473 L474 Q475 K481R473-L477 HydrophobicContact CG-CD1 4.32Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.3Å; R473-L477 WeakPolarHBondContact O-CG 3.41Å; R473-L477 PolarHBondContact O-N 3.29Å; L474-L477 PolarHBondContact O-N 3.35Å; Q475-L477 PolarHBondContact O-N 3.41Å; L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 3.18Å
478M95.9Very high92.9Very high118 Ų118124.3 Ų124.358%0.58156%0.561SS**Hα-helixtrans-69.2-38175.3-74.6-166.875.200112.3L474 Q475 L476 K481 R482L474-M478 HydrophobicContact CD1-CG 4.32Å; L474-M478 WeakPolarHBondContact O-CB 3.47Å; L474-M478 WeakPolarHBondContact O-CG 3.37Å; L474-M478 PolarHBondContact O-N 3.14Å; Q475-M478 PolarHBondContact O-N 2.88Å; L476-M478 PolarHBondContact O-N 3.35Å; M478-K481 PolarHBondContact O-N 3.45Å; M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 2.87Å
479Q96.1Very high92.5Very high118 Ų118123.6 Ų123.655%0.55156%0.558SS**Hα-helixtrans-64.7-48.8173.7-167.8-172.438.100110.5Q475 L476 K481 R482 L483Q475-Q479 WeakPolarHBondContact O-CB 3.18Å; Q475-Q479 PolarHBondContact O-N 3.32Å; L476-Q479 PolarHBondContact O-N 2.83Å; Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.42Å; Q479-R482 CarbonylContact O-C 3.59Å; Q479-R482 WeakPolarHBondContact O-CA 3.37Å; Q479-R482 WeakPolarHBondContact O-CB 3.46Å; Q479-R482 PolarHBondContact O-N 2.83Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.2Å
480Q95.8Very high91.6Very high106 Ų106124.2 Ų124.250%0.49556%0.557SS.*Hα-helixtrans-60.1-38.6175.2-163.5-168.752.300111.8L476 L483 R484L476-Q480 WeakPolarHBondContact O-CB 3.35Å; L476-Q480 PolarHBondContact O-N 2.84Å; Q480-L483 PolarHBondContact O-N 3.47Å; Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.15Å
481K93.6Very high90.1Very high125 Ų125125.3 Ų125.354%0.54357%0.565SS.*Hα-helixtrans-69.8-29.8174.2-168172.7-174.6173.90112.7L477 M478 Q479 R485L477-K481 WeakPolarHBondContact O-CB 3.44Å; L477-K481 PolarHBondContact O-N 3.18Å; M478-K481 PolarHBondContact O-N 3.45Å; Q479-K481 VanDerWaalsContact C-N 3.3Å; Q479-K481 PolarHBondContact O-N 3.42Å; K481-R485 WeakPolarHBondContact O-CG 3.33Å; K481-R485 PolarHBondContact O-N 2.84Å
482R94.9Very high88.6Confident192 Ų192132.4 Ų132.473%0.72558%0.584SS**Hα-helixtrans-70.2-46.2171.4-170.8-176.7-73.3-167.7-2.2110.4M478 Q479 R485 K486M478-R482 WeakPolarHBondContact O-CB 3.42Å; M478-R482 PolarHBondContact O-N 2.87Å; Q479-R482 CarbonylContact O-C 3.59Å; Q479-R482 WeakPolarHBondContact O-CA 3.37Å; Q479-R482 WeakPolarHBondContact O-CB 3.46Å; Q479-R482 PolarHBondContact O-N 2.83Å; R482-R485 WeakPolarHBondContact O-CB 3.44Å; R482-R485 PolarHBondContact O-N 2.9Å; R482-R485 VanDerWaalsContact O-N 3.08Å; R482-K486 PolarHBondContact O-N 3.08Å
483L93.6Very high86.5Confident105 Ų105129 Ų12955%0.5558%0.578SS.*Hα-helixtrans-61.9-46.3174.5-67.4171.4000111.9Q479 Q480 R485 K486 A487Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 3.2Å; Q480-L483 PolarHBondContact O-N 3.47Å; L483-R485 PolarHBondContact O-N 3.44Å; L483-R485 VanDerWaalsContact O-N 3.15Å; L483-K486 PolarHBondContact O-N 2.85Å; L483-A487 PolarHBondContact O-N 3.47Å
484R91.7Very high84.7Confident175 Ų175125.9 Ų125.966%0.6658%0.581SS**Hα-helixtrans-63.9-13.8172.2-80-174.4166-155-3.2114.4Q480 R488Q480-R484 WeakPolarHBondContact O-CB 3.46Å; Q480-R484 PolarHBondContact O-N 3.15Å; R484-R488 PolarHBondContact O-NE 2.88Å; R484-R488 PolarHBondContact O-NH2 3.47Å
485R88.5Confident82.4Confident142 Ų142130.9 Ų130.954%0.53660%0.595SS.*Hα-helixtrans-89.7-38.7167.6-76.9172.6176.4141.3-16.1111.5K481 R482 L483 R489K481-R485 WeakPolarHBondContact O-CG 3.33Å; K481-R485 PolarHBondContact O-N 2.84Å; R482-R485 WeakPolarHBondContact O-CB 3.44Å; R482-R485 PolarHBondContact O-N 2.9Å; R482-R485 VanDerWaalsContact O-N 3.08Å; L483-R485 PolarHBondContact O-N 3.44Å; L483-R485 VanDerWaalsContact O-N 3.15Å; R485-R489 PolarHBondContact O-N 2.84Å
486K88.4Confident80.3Confident110 Ų110133 Ų13348%0.47860%0.604SS.*Hα-helixtrans-61.9-55.4174.7-169.8-177.8-177.8-69.20110.7R482 L483 R488 R489 D490R482-K486 PolarHBondContact O-N 3.08Å; L483-K486 PolarHBondContact O-N 2.85Å; K486-R488 VanDerWaalsContact C-N 3.26Å; K486-R488 PolarHBondContact O-N 3.14Å; K486-R488 VanDerWaalsContact O-N 3.14Å; K486-R489 WeakPolarHBondContact O-CA 3.41Å; K486-R489 WeakPolarHBondContact O-CB 3.44Å; K486-R489 PolarHBondContact O-N 2.88Å; K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 IonicContact NZ-OD1 3.73Å; K486-D490 IonicContact NZ-OD2 2.65Å; K486-D490 PolarHBondContact NZ-OD2 3.26Å; K486-D490 PolarHBondContact O-N 3.04Å
487A83.4Confident78.2Confident45 Ų45138.8 Ų138.837%0.37262%0.619SS.*Hα-helixtrans-54.4-37.7178.800000113.6L483 R489 D490 Q491L483-A487 PolarHBondContact O-N 3.47Å; A487-R489 VanDerWaalsContact C-N 3.32Å; A487-R489 PolarHBondContact O-N 3.04Å; A487-D490 PolarHBondContact O-N 2.84Å; A487-Q491 VanDerWaalsContact O-CB 3.28Å; A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 WeakPolarHBondContact O-CG 3.28Å; A487-Q491 PolarHBondContact O-N 3.25Å
488R83.4Confident76.2Confident165 Ų165140.3 Ų140.362%0.62363%0.627SS**Hα-helixtrans-75.8-12.8175.5-78-173.1-65.9160.1-0.2115.1R484 K486 R492R484-R488 PolarHBondContact O-NE 2.88Å; R484-R488 PolarHBondContact O-NH2 3.47Å; K486-R488 VanDerWaalsContact C-N 3.26Å; K486-R488 PolarHBondContact O-N 3.14Å; K486-R488 VanDerWaalsContact O-N 3.14Å; R488-R492 WeakPolarHBondContact O-CB 3.37Å
489R79.4Confident74.1Confident174 Ų174140.8 Ų140.866%0.65764%0.639SS**Hα-helixtrans-85.9-50.1166.6-173-173.9-65.6113.1-8.9109.3R485 K486 A487 Q491 R492R485-R489 PolarHBondContact O-N 2.84Å; K486-R489 WeakPolarHBondContact O-CA 3.41Å; K486-R489 WeakPolarHBondContact O-CB 3.44Å; K486-R489 PolarHBondContact O-N 2.88Å; A487-R489 VanDerWaalsContact C-N 3.32Å; A487-R489 PolarHBondContact O-N 3.04Å; R489-Q491 PolarHBondContact O-N 3.02Å; R489-R492 PolarHBondContact O-N 3.44Å
490D71.3Confident71.9Confident80 Ų80141.4 Ų141.443%0.42865%0.646SS.*Hα-helixtrans-59.8-44.4-177.7-56.72.1000111.7K486 A487 R492K486-D490 WeakPolarHBondContact CG-OD2 3.41Å; K486-D490 IonicContact NZ-OD1 3.73Å; K486-D490 IonicContact NZ-OD2 2.65Å; K486-D490 PolarHBondContact NZ-OD2 3.26Å; K486-D490 PolarHBondContact O-N 3.04Å; A487-D490 PolarHBondContact O-N 2.84Å; D490-R492 PolarHBondContact O-N 2.65Å
491Q63.1Low69.3Low171 Ų171147.2 Ų147.280%0.79966%0.663SS**THydrogen-bonded Turntrans-71.7-7.1175.4-73.6-176.1-30.800114.7A487 R489A487-Q491 VanDerWaalsContact O-CB 3.28Å; A487-Q491 WeakPolarHBondContact O-CB 3.36Å; A487-Q491 WeakPolarHBondContact O-CG 3.28Å; A487-Q491 PolarHBondContact O-N 3.25Å; R489-Q491 PolarHBondContact O-N 3.02Å
492R64.4Low67.4Low220 Ų220151.1 Ų151.183%0.8368%0.68SS**THydrogen-bonded Turntrans-113.922.5-174.6-153.7174.3-176175.51.5112.4R488 R489 D490R488-R492 WeakPolarHBondContact O-CB 3.37Å; R489-R492 PolarHBondContact O-N 3.44Å; D490-R492 PolarHBondContact O-N 2.65Å
493A51.1Low64.7Low57 Ų57146.7 Ų146.747%0.47168%0.684SS.*  trans-122.392-173.900000112.3Y495A493-Y495 PolarHBondContact O-N 3.41Å
494P55.9Low62.3Low119 Ų119145.1 Ų145.177%0.77369%0.694SS**SBendtrans-68.9-14.1162.3-1731.8000112.9
495Y48.3Very low59.7Low202 Ų202148.6 Ų148.679%0.79271%0.707SS**SBendtrans-130.9136.9179.1-67.4-74.9000111.3A493 W497A493-Y495 PolarHBondContact O-N 3.41Å; Y495-W497 PolarHBondContact O-N 3.17Å
496Q52Low57.4Low172 Ų172146.9 Ų146.980%0.80472%0.717SS**  trans-72.4112.4-176.4-172.3168.8-0.300110.9L498Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 HydrophobicContact CG-CD2 4.49Å; Q496-L498 PolarHBondContact O-N 2.92Å
497W54.3Low54.7Low234 Ų234149.3 Ų149.389%0.88674%0.735SS**  trans-76.581.7179.5-142.988.9000110.4Y495Y495-W497 PolarHBondContact O-N 3.17Å
498L54.5Low52.3Low116 Ų116152 Ų15261%0.60775%0.751SS**  trans-58122.6179.9-71.6168.9000110.6Q496 N500Q496-L498 VanDerWaalsContact C-N 3.3Å; Q496-L498 HydrophobicContact CG-CD2 4.49Å; Q496-L498 PolarHBondContact O-N 2.92Å; L498-N500 PolarHBondContact O-N 2.56Å
499P52.3Low49.8Very low128 Ų128151.9 Ų151.983%0.83176%0.763SS**SBendtrans-79.732.2-172.534.2-37.8000113.9
500N49.8Very low47.6Very low131 Ų131148.7 Ų148.770%0.70177%0.767SS**  trans-155.4102.9171.9-170.6-2.5000112.8L498L498-N500 PolarHBondContact O-N 2.56Å
501R42.6Very low45.9Very low229 Ų229149.3 Ų149.386%0.86478%0.778SS**  trans-145.6116.1145.9-73.9-161.1177.3-166.2-1.3109.7A503R501-A503 PolarHBondContact O-N 3.24Å
502K53.7Low44.4Very low207 Ų207148.7 Ų148.790%0.978%0.777SS**  trans-62110.9157.7-79.5-179174.11780107.9
503A37.8Very low42.9Very low98 Ų98143.8 Ų143.881%0.8178%0.776SS**  trans-102.879176.600000110.2R501R501-A503 PolarHBondContact O-N 3.24Å
504G43Very low42.2Very low73 Ų73145.9 Ų145.975%0.75379%0.787SS**  trans-83.8132.4172.400000111.7
505R36.9Very low41.2Very low248 Ų248149.6 Ų149.694%0.93679%0.794SS**  trans-138.5138.8155.9-65.1-167.476.3-172.32108.3
506S39.1Very low40.6Very low106 Ų106143.3 Ų143.374%0.74179%0.791SS**  trans-85.6171.6-162.8-440000114.4
507N31.9Very low39.7Very low160 Ų160141.1 Ų141.186%0.85680%0.795SS**  -167.3102.4117.3-92.8-4.1000113.7
508S33.6Very low38.9Very low101 Ų101137.7 Ų137.771%0.70679%0.793SS**  trans30.9105.3143.6-47.40000123.2
509N31.6Very low38.3Very low164 Ų164139 Ų13988%0.87780%0.801SS**  170.4146.8117.8-94.5-3.5000109.2
510S32.8Very low37.8Very low106 Ų106140.7 Ų140.774%0.74180%0.802SS**  cis-147.7170.5-1.254.40000110.6
511S35.3Very low37.4Very low94 Ų94140.7 Ų140.766%0.65780%0.802SS**  trans-67.2176.7172.5-38.10000112.2
512M31.1Very low37Very low158 Ų158139.5 Ų139.578%0.77880%0.803SS**  cis-162.2148.414.838.3-89.8137.300111.4
513S33.7Very low36.2Very low117 Ų117134.9 Ų134.982%0.81879%0.789SS**  trans61.9152.9155.6-60.10000119.3
514S36.5Very low36.2Very low100 Ų100137.7 Ų137.770%0.69979%0.79SS**  cis-166166-13.942.90000110.8
515E34.5Very low36.3Very low197 Ų197138 Ų13892%0.92178%0.78SS**  trans69160.2170.8-55.8-159.491.200119
516G35.1Very low36.4Very low71 Ų71131.4 Ų131.473%0.73277%0.768SS**  trans103.219.6158.700000119.9L518G516-L518 PolarHBondContact O-N 3.32Å
517S33.5Very low36.2Very low125 Ų125138.5 Ų138.587%0.87478%0.778SS**  trans-76.684.3177.3-170.90000112.7
518L38.3Very low36.7Very low163 Ų163138.5 Ų138.585%0.85377%0.771SS**  trans-78.3117167-65.9178.7000110G516G516-L518 PolarHBondContact O-N 3.32Å
519D41.5Very low37Very low144 Ų144139.3 Ų139.377%0.7777%0.773SS**  trans-73.2127.8177.2-165.553.4000110.3
520L40.7Very low37.3Very low162 Ų162137.6 Ų137.685%0.84876%0.764SS**  trans-13598.3173.2-78.6-179.6000109.3
521D41.7Very low37.7Very low131 Ų131138.6 Ų138.670%0.70177%0.766SS**  trans-51.3140.3175.3-159.3-53.6000112.3D523D521-D523 PolarHBondContact OD1-N 2.98Å; D521-D523 VanDerWaalsContact OD1-N 3.08Å
522F34.8Very low37.8Very low204 Ų204141.8 Ų141.890%0.89577%0.768SS**  trans-147.270.4168.2-142.2-81.2000111D524F522-D524 PolarHBondContact O-N 3.08Å
523D37.2Very low38.2Very low111 Ų111138.4 Ų138.459%0.59477%0.765SS**  trans-45.3115.6174.9-178.1-121000115.1D521 S525D521-D523 PolarHBondContact OD1-N 2.98Å; D521-D523 VanDerWaalsContact OD1-N 3.08Å; D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 3.42Å; D523-S525 WeakPolarHBondContact OD1-CB 3.5Å; D523-S525 PolarHBondContact OD1-OG 2.89Å
524D37.8Very low38.6Very low157 Ų157137.9 Ų137.984%0.8475%0.753SS**  trans-89.464.2171.4-169.8-123.9000110.3F522 V526F522-D524 PolarHBondContact O-N 3.08Å; D524-V526 PolarHBondContact O-N 3.2Å
525S44.3Very low39.2Very low79 Ų79140 Ų14055%0.55276%0.756SS**  trans-67.796-177.5-99.60000113.8D523D523-S525 VanDerWaalsContact C-N 3.32Å; D523-S525 PolarHBondContact O-N 3.42Å; D523-S525 WeakPolarHBondContact OD1-CB 3.5Å; D523-S525 PolarHBondContact OD1-OG 2.89Å
526V38.8Very low39.3Very low110 Ų110139.5 Ų139.567%0.66775%0.75SS**  trans37.395.4130.6-176.30000116.4D524 K528D524-V526 PolarHBondContact O-N 3.2Å; V526-K528 HydrophobicContact CG1-CB 4.13Å; V526-K528 HydrophobicContact CG1-CG 3.89Å; V526-K528 PolarHBondContact O-N 3.29Å; V526-K528 VanDerWaalsContact O-N 3.17Å
527W36.1Very low39.8Very low254 Ų254142.4 Ų142.496%0.96276%0.76SS**  trans-80.886.5155.2-82.884.4000111P529W527-P529 WeakPolarHBondContact O-CD 3.05Å
528K41.8Very low40.4Very low160 Ų160144.7 Ų144.770%0.69676%0.757SS**  trans-78.2125.3164.4-106.7-174.2174-172.60110.2V526V526-K528 HydrophobicContact CG1-CB 4.13Å; V526-K528 HydrophobicContact CG1-CG 3.89Å; V526-K528 PolarHBondContact O-N 3.29Å; V526-K528 VanDerWaalsContact O-N 3.17Å
529P41.2Very low40.5Very low118 Ų118146 Ų14677%0.76676%0.756SS**  trans-80.8111.9153.131.4-27.3000108.3W527 V531W527-P529 WeakPolarHBondContact O-CD 3.05Å; P529-V531 PolarHBondContact O-N 2.89Å
530D36Very low40.5Very low129 Ų129145.5 Ų145.569%0.6976%0.758SS**  trans-78.9116.8173.9-156.9-73.3000110.3
531V41.5Very low40.3Very low127 Ų127145.8 Ų145.877%0.7776%0.757SS**  trans-13591.4168.7-178.10000107.3P529 A533P529-V531 PolarHBondContact O-N 2.89Å; V531-A533 PolarHBondContact O-N 2.91Å
532K37.8Very low40.6Very low160 Ų160147.7 Ų147.770%0.69679%0.79SS**  trans-6589.3175.9-171.6-167.4172.7-1550111.4D534K532-D534 VanDerWaalsContact CE-OD2 3.27Å; K532-D534 WeakPolarHBondContact CE-OD2 3.27Å; K532-D534 IonicContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact O-N 3.17Å
533A40Very low40.8Very low87 Ų87144.9 Ų144.972%0.71979%0.785SS**  trans-7498163.500000109.3V531V531-A533 PolarHBondContact O-N 2.91Å
534D42Very low41Very low107 Ų107146.6 Ų146.657%0.57280%0.795SS**  trans-80.3144.8175.1-148.8-34.3000110.7K532K532-D534 VanDerWaalsContact CE-OD2 3.27Å; K532-D534 WeakPolarHBondContact CE-OD2 3.27Å; K532-D534 IonicContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact NZ-OD2 2.79Å; K532-D534 PolarHBondContact O-N 3.17Å
535L49.2Very low41.2Very low145 Ų145146.1 Ų146.176%0.75979%0.793SS**  trans-93.5124.1-177.8-94.669.3000110.8
536K36.9Very low41Very low185 Ų185150 Ų15080%0.80481%0.807SS**  trans-154.6123.7134.5-89.1113.6-156.11620109.9
537S44.8Very low41.2Very low132 Ų132152.5 Ų152.592%0.92382%0.815SS**  trans-99.3115.7154.8-61.80000106.4
538E45.9Very low41.5Very low174 Ų174145.7 Ų145.781%0.81381%0.806SS**  trans-119.4135.9171-170.4164.3-178.700108.7
539F40.4Very low41.5Very low191 Ų191144.7 Ų144.784%0.83881%0.813SS**  trans-103.9113.3-170.1-131-90.6000108.3
540V41.2Very low41.5Very low133 Ų133146.8 Ų146.881%0.80682%0.817SS**  trans-133137.4163-178.80000108.4
541M37.3Very low42Very low168 Ų168148.3 Ų148.383%0.82883%0.828SS**  trans-122.1117.7-177.1179.7-165.3-54.500108.5
542A47Very low42Very low170 Ų170150.2 Ų150.2100%1.40583%0.833SS**  trans-159.70166.200000108.5

Retrieved 542 of 542 residues in 738 ms (Link to these results)