A0A087Y0S9_POEFO Loading...

Transmembrane protein 200A

AlphaFold DB , UniProt , Accession A0A087Y0S9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 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
1M35.9Very low39.9Very low233 Ų233132.5 Ų132.5100%1.14887%0.872SS**  0136.40-73.2161.9134.300108.2
2T37.1Very low39.8Very low133 Ų133128.8 Ų128.882%0.81686%0.86SS**  trans37.7109.6155.643.60000119.4
3A37.9Very low40Very low100 Ų100133.2 Ų133.283%0.82686%0.856SS**  91.7150.392.100000112
4A44.2Very low39.5Very low91 Ų91137.1 Ų137.175%0.75287%0.865SS**  cis-145.5137.4-3.400000107.2
5A38.5Very low39.2Very low103 Ų103139.8 Ų139.885%0.85186%0.859SS**  56.7117.386.700000116.8
6G36.3Very low39Very low76 Ų76145.8 Ų145.878%0.78486%0.861SS**  trans97.1100.7141.800000119.3
7V39Very low38.9Very low153 Ų153147.2 Ų147.293%0.92786%0.857SS**  trans-129.382151.4-173.90000109
8L44.9Very low38.5Very low157 Ų157147 Ų14782%0.82285%0.852SS**  trans-135.7154.5168-83.2174.2000108.9
9T45.1Very low38.5Very low150 Ų150145.9 Ų145.992%0.9285%0.854SS**  trans74.6137177.677.60000115.8
10G41.2Very low38.2Very low75 Ų75144 Ų14477%0.77386%0.855SS**  trans163.7-9.1-173.400000116.1A12G10-A12 PolarHBondContact O-N 3.03Å
11L39.1Very low38Very low186 Ų186148.7 Ų148.797%0.97486%0.858SS**  trans-71.688.6169.1-84.3174.6000111
12A38.8Very low37.8Very low88 Ų88143 Ų14373%0.72784%0.842SS**  trans-156.9137.7162.500000113.5G10G10-A12 PolarHBondContact O-N 3.03Å
13K41.6Very low37.6Very low187 Ų187145 Ų14581%0.81384%0.842SS**  trans72.454.5138.8-154.2-177.2-172.7177.50118.8K15K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 HydrophobicContact CG-CB 4.46Å; K13-K15 PolarHBondContact O-N 2.98Å
14L33.8Very low37.2Very low187 Ų187149.6 Ų149.698%0.97985%0.846SS**  trans-78.179.8153.3-167.762.8000110.2
15K35.1Very low36.6Very low178 Ų178155.7 Ų155.777%0.77485%0.849SS**  trans-94.9138.2173-174.8175.2177.3-179.90109.2K13K13-K15 VanDerWaalsContact C-N 3.26Å; K13-K15 HydrophobicContact CG-CB 4.46Å; K13-K15 PolarHBondContact O-N 2.98Å
16R36Very low37Very low235 Ų235155.7 Ų155.789%0.88784%0.84SS**  trans-49.5144.6177.3-54.5173.8179.2-162.6-2.3112.7
17Q37.1Very low36.8Very low170 Ų170158.1 Ų158.179%0.79484%0.84SS**  -170.5121.5125.9-96-164.2-85.800108.6
18D32.4Very low37.1Very low144 Ų144155.9 Ų155.977%0.7783%0.828SS**  71114.6103.3-66.4-28.1000114.4
19S37Very low37Very low126 Ų126154.4 Ų154.488%0.88183%0.828SS**  trans-142.1103.2163.2-171.30000109.9
20A34.2Very low36.3Very low107 Ų107151.8 Ų151.888%0.88482%0.821SS**  trans-124105.5164.100000107.2
21R32.3Very low35.8Very low243 Ų243153.5 Ų153.592%0.91782%0.822SS**  trans-156.295.8173.4-164.9173.7-173.1173.72112.4
22S31.6Very low35.4Very low115 Ų115153.5 Ų153.580%0.80482%0.817SS**  trans-145.8117.415357.20000110.1
23Q33.6Very low34.9Very low175 Ų175152.8 Ų152.882%0.81882%0.818SS**  trans-161.2126.3169.6-96.4-66-20.800107
24H30.1Very low34.4Very low196 Ų196152.4 Ų152.491%0.90782%0.823SS**  trans-148152.4159.2-132.3-98000109.7
25R32Very low34.3Very low219 Ų219147.8 Ų147.883%0.82681%0.812SS**  trans-105.8-166-154.1-124.2-179.6165.2166-5112.1
26P45.9Very low34.4Very low102 Ų102146.6 Ų146.666%0.66282%0.815SS**  cis-128.3-174-21.226.8-1.1000111.9
27V33.1Very low34.6Very low128 Ų128140.8 Ų140.878%0.77681%0.807SS**  -163.1140.252.6164.40000110.9
28P45.3Very low34.2Very low105 Ų105136.3 Ų136.368%0.68281%0.807SS**  trans-85.7173.8177.239.9-39.8000112.5
29P41.8Very low34.1Very low127 Ų127135.5 Ų135.583%0.82581%0.813SS**  cis-117.7-172.131.345-33.1000114
30A30.6Very low34Very low94 Ų94138.8 Ų138.878%0.77781%0.814SS**  cis-145.7-173.813.100000111.5
31S31.6Very low33.9Very low111 Ų111137.2 Ų137.278%0.77681%0.808SS**  cis-145.2-835.750.30000114.5
32Q29.8Very low34.1Very low187 Ų187129.8 Ų129.887%0.87480%0.798SS**  trans-149.6141.8-166.6-63.4170.8-5.800109.3
33G29.1Very low34.5Very low72 Ų72129.9 Ų129.974%0.74280%0.796SS**  cis-176.1168-6.100000113.9
34L31.1Very low34.8Very low179 Ų179133.1 Ų133.194%0.93780%0.801SS**  trans63.3122.2153.5-13465.8000122.8
35A30.6Very low35.3Very low90 Ų90133.1 Ų133.174%0.74480%0.799SS**  trans73.674.4147.900000122
36N36.9Very low35.9Very low154 Ų154134.6 Ų134.682%0.82480%0.804SS**  21.1155.4102.9-135.433.1000119.7
37P39.8Very low35.4Very low112 Ų112138.7 Ų138.773%0.72781%0.811SS**  -130.7152.3-61.936.5-21.7000113.5
38G29.2Very low35.7Very low77 Ų77144 Ų14479%0.79482%0.818SS**  trans-139.2103.717200000112E40G38-E40 PolarHBondContact O-N 2.87Å
39S30.8Very low35.1Very low127 Ų127149.4 Ų149.489%0.88882%0.824SS**  trans-81.593.5179.458.90000111.4
40E34.1Very low35Very low195 Ų195149.4 Ų149.491%0.91182%0.822SS**PPolyproline II helixtrans-70.2134.1168.2-86.2-159.6104.300111.6G38 A42G38-E40 PolarHBondContact O-N 2.87Å; E40-A42 PolarHBondContact O-N 3.16Å
41G32.7Very low34.8Very low73 Ų73150.5 Ų150.575%0.75382%0.815SS**PPolyproline II helixtrans-75.2122.7-172.800000112.3
42A37.1Very low35Very low87 Ų87150.7 Ų150.772%0.71981%0.811SS**PPolyproline II helixtrans-52135.3170.200000111E40 R44E40-A42 PolarHBondContact O-N 3.16Å; A42-R44 PolarHBondContact O-N 3.26Å; A42-R44 VanDerWaalsContact O-N 3.13Å
43P40.1Very low35.1Very low117 Ų117145.9 Ų145.976%0.7680%0.795SS**PPolyproline II helixtrans-60122.9-176.423-33.1000109.7K45P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3Å
44R38.3Very low35.6Very low244 Ų244147.8 Ų147.892%0.92179%0.791SS**  trans-62.887.3178.2-76179.5168.5173.2-2.3109.6A42 R46A42-R44 PolarHBondContact O-N 3.26Å; A42-R44 VanDerWaalsContact O-N 3.13Å; R44-R46 PolarHBondContact O-N 3.21Å
45K40.8Very low35.7Very low196 Ų196144.5 Ų144.585%0.85278%0.778SS**  trans-48.6111.2162.2-70.9-172.3178.6-176.50106P43 K47P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3Å; K45-K47 PolarHBondContact O-N 3.03Å
46R44.6Very low36.3Very low250 Ų250150.1 Ų150.194%0.94378%0.78SS**  trans-64.684172.6-82.5-178.1169-178.4-3106.6R44 R48R44-R46 PolarHBondContact O-N 3.21Å; R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.81Å
47K36.1Very low36.8Very low188 Ų188145.3 Ų145.382%0.81777%0.767SS**  trans-48.6107.1164.3-178.4171.2-175.2173.50104.3K45 R49K45-K47 PolarHBondContact O-N 3.03Å; K47-R49 VanDerWaalsContact C-N 3.25Å; K47-R49 PolarHBondContact O-N 3.44Å
48R38.6Very low37.1Very low239 Ų239150.9 Ų150.990%0.90277%0.773SS**  trans-54.8104.3175.1-166.1-179.2-163.2-135.86.5103.1R46 T50R46-R48 VanDerWaalsContact C-N 3.35Å; R46-R48 PolarHBondContact O-N 2.81Å; R48-T50 PolarHBondContact O-N 3.48Å
49R33.6Very low38.2Very low218 Ų218149.9 Ų149.982%0.82375%0.75SS**  trans-57.5124.4175-68.3-174.7177.8-156-0.5102K47 D51K47-R49 VanDerWaalsContact C-N 3.25Å; K47-R49 PolarHBondContact O-N 3.44Å; R49-D51 PolarHBondContact O-N 2.89Å
50T39.6Very low39.4Very low127 Ų127154 Ų15478%0.77975%0.746SS**  trans-55.686.2135.248.90000102.9R48 V52R48-T50 PolarHBondContact O-N 3.48Å; T50-V52 PolarHBondContact O-N 3.13Å
51D27.4Very low40.3Very low118 Ų118149.5 Ų149.563%0.63173%0.727SS**  trans-55.5103.3152.7-163.60.5000100.6R49 V53R49-D51 PolarHBondContact O-N 2.89Å; D51-V53 HydrophobicContact CB-CG2 3.72Å; D51-V53 PolarHBondContact O-N 2.73Å; D51-V53 PolarHBondContact OD1-N 3.07Å
52V35.3Very low41.4Very low114 Ų114157.1 Ų157.169%0.69174%0.735SS**  trans-66.277.1151.6-173.40000101.6T50 V54T50-V52 PolarHBondContact O-N 3.13Å; V52-V54 HydrophobicContact CG1-CG2 3.91Å; V52-V54 PolarHBondContact O-N 3.42Å
53V32.4Very low42.9Very low87 Ų87155.4 Ų155.453%0.52772%0.718SS.*  trans-58.685.6148.1-151.10000100.7D51 V55D51-V53 HydrophobicContact CB-CG2 3.72Å; D51-V53 PolarHBondContact O-N 2.73Å; D51-V53 PolarHBondContact OD1-N 3.07Å; V53-V55 HydrophobicContact CB-CG2 3.77Å; V53-V55 HydrophobicContact CG1-CB 4.29Å; V53-V55 HydrophobicContact CG1-CG2 3.45Å; V53-V55 VanDerWaalsContact CG1-CG2 3.45Å; V53-V55 PolarHBondContact O-N 2.88Å
54V38.3Very low44.6Very low111 Ų111153.2 Ų153.267%0.67371%0.71SS**  trans-49.381.4130.1-173.80000102.8V52 R56V52-V54 HydrophobicContact CG1-CG2 3.91Å; V52-V54 PolarHBondContact O-N 3.42Å; V54-R56 HydrophobicContact CG1-CB 4.38Å; V54-R56 PolarHBondContact O-N 2.79Å
55V34.5Very low46.5Very low110 Ų110142.2 Ų142.267%0.66767%0.67SS**  trans-62.781.1158.4178.40000100.2V53 G57V53-V55 HydrophobicContact CB-CG2 3.77Å; V53-V55 HydrophobicContact CG1-CB 4.29Å; V53-V55 HydrophobicContact CG1-CG2 3.45Å; V53-V55 VanDerWaalsContact CG1-CG2 3.45Å; V53-V55 PolarHBondContact O-N 2.88Å; V55-G57 VanDerWaalsContact C-N 3.32Å; V55-G57 WeakPolarHBondContact O-CA 3.34Å; V55-G57 PolarHBondContact O-N 3.1Å
56R42.6Very low48.6Very low209 Ų209132.9 Ų132.979%0.78963%0.629SS**  trans-51.1107.2-172168.4-171.1172.8114.1-0.6102.9V54 R58V54-R56 HydrophobicContact CG1-CB 4.38Å; V54-R56 PolarHBondContact O-N 2.79Å; R56-R58 PolarHBondContact O-N 2.91Å
57G46.4Very low50.6Low52 Ų52126.6 Ų126.654%0.53661%0.609SS.*  trans-6387.1-155.600000109.6V55 L59V55-G57 VanDerWaalsContact C-N 3.32Å; V55-G57 WeakPolarHBondContact O-CA 3.34Å; V55-G57 PolarHBondContact O-N 3.1Å; G57-L59 PolarHBondContact O-N 3.45Å
58R46.2Very low53.1Low229 Ų229122.9 Ų122.986%0.86459%0.593SS**  trans-73.158.4160.8-79.1-172.2166.9-177.2-2.8105.9R56 R60R56-R58 PolarHBondContact O-N 2.91Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.36Å
59L52.4Low55.6Low57 Ų57112.2 Ų112.230%0.29855%0.554SS.*  trans-46.9114139.9-88.977.8000103.7G57 L61 L152G57-L59 PolarHBondContact O-N 3.45Å; L59-L61 HydrophobicContact CB-CD2 4.07Å; L59-L61 HydrophobicContact CB-CG 4.13Å; L59-L61 HydrophobicContact CD2-CD2 4.13Å; L59-L61 PolarHBondContact O-N 2.86Å; L59-L152 HydrophobicContact CD2-CD2 3.83Å
60R57.1Low58.3Low214 Ų214108 Ų10881%0.80854%0.542SS*.  trans-67.685.9162.6-74.8176.9160-174.8-7.4104.7R58 Y62 S63R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.36Å; R60-Y62 PolarHBondContact O-N 3.05Å; R60-S63 VanDerWaalsContact O-CB 3.3Å; R60-S63 WeakPolarHBondContact O-CB 3.5Å; R60-S63 PolarHBondContact O-N 3.4Å
61L51.4Low60.7Low99 Ų99104.8 Ų104.852%0.51852%0.52SS..THydrogen-bonded Turntrans-60.3-13.7177.2-68.3167.3000111.6L59 G66 F67L59-L61 HydrophobicContact CB-CD2 4.07Å; L59-L61 HydrophobicContact CB-CG 4.13Å; L59-L61 HydrophobicContact CD2-CD2 4.13Å; L59-L61 PolarHBondContact O-N 2.86Å; L61-G66 CarbonylContact O-C 3.19Å; L61-F67 PolarHBondContact O-N 3.2Å
62Y56.8Low63.9Low233 Ų23399.2 Ų99.291%0.91449%0.49SS*.THydrogen-bonded Turntrans-9010.7169.7-59.6-76.4000114.7R60R60-Y62 PolarHBondContact O-N 3.05Å
63S69.4Low66.6Low51 Ų5198.4 Ų98.436%0.35748%0.481SS..SBendtrans-75.6153.5161.2-1710000109.4R60 S65 G66 F67R60-S63 VanDerWaalsContact O-CB 3.3Å; R60-S63 WeakPolarHBondContact O-CB 3.5Å; R60-S63 PolarHBondContact O-N 3.4Å; S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S63-G66 WeakPolarHBondContact O-CA 3.4Å; S63-G66 PolarHBondContact O-N 3.01Å; S63-F67 PolarHBondContact O-N 3.3Å
64A75.8Confident69.5Low72 Ų7298 Ų9860%0.59548%0.475SS*.Hα-helixtrans-53.1-41.5-174.100000113.3F67 F68A64-F67 PolarHBondContact O-N 2.88Å; A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 3.46Å
65S78.2Confident72.1Confident12 Ų1294.9 Ų94.98%0.08445%0.454CS..Hα-helixtrans-70.7-31.4175.2500000114S63 F67 F68 L69S63-S65 VanDerWaalsContact C-N 3.28Å; S63-S65 PolarHBondContact O-N 3.03Å; S63-S65 VanDerWaalsContact O-N 3.17Å; S65-F67 VanDerWaalsContact C-N 3.34Å; S65-F68 PolarHBondContact O-N 3.44Å; S65-L69 PolarHBondContact O-N 3.5Å
66G84.6Confident75Confident0 Ų091.3 Ų91.30%043%0.431CS..Hα-helixtrans-67.3-34173.600000112.8L61 S63 L69 F70L61-G66 CarbonylContact O-C 3.19Å; S63-G66 WeakPolarHBondContact O-CA 3.4Å; S63-G66 PolarHBondContact O-N 3.01Å; G66-L69 PolarHBondContact O-N 3.42Å; G66-F70 PolarHBondContact O-N 2.82Å
67F86.6Confident77.3Confident118 Ų11884.1 Ų84.152%0.51842%0.416SS..Hα-helixtrans-63.8-44.2173.5179.1-97.9000111.9L61 S63 A64 S65 L69 F70 L71L61-F67 PolarHBondContact O-N 3.2Å; S63-F67 PolarHBondContact O-N 3.3Å; A64-F67 PolarHBondContact O-N 2.88Å; S65-F67 VanDerWaalsContact C-N 3.34Å; F67-L69 PolarHBondContact O-N 3.38Å; F67-F70 PolarHBondContact O-N 2.89Å; F67-L71 HydrophobicContact CE1-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.43Å; F67-L71 PolarHBondContact O-N 2.7Å
68F88.8Confident79.4Confident110 Ų11084.7 Ų84.748%0.48241%0.41SS..Hα-helixtrans-65-35.9176.6-69.6-67.6000113.1A64 S65 L71 G72 A148A64-F68 WeakPolarHBondContact O-CD2 3.48Å; A64-F68 PolarHBondContact O-N 3.46Å; S65-F68 PolarHBondContact O-N 3.44Å; F68-L71 PolarHBondContact O-N 2.86Å; F68-G72 PolarHBondContact O-N 2.76Å; F68-A148 HydrophobicContact CB-CB 3.67Å
69L89.9Confident81.5Confident16 Ų1673.8 Ų73.88%0.08437%0.368CS..Hα-helixtrans-61.1-46.6170.8-82.9175.6000112S65 G66 F67 G72 L73 F145 A148 N149 L152S65-L69 PolarHBondContact O-N 3.5Å; G66-L69 PolarHBondContact O-N 3.42Å; F67-L69 PolarHBondContact O-N 3.38Å; L69-G72 PolarHBondContact O-N 2.66Å; L69-L73 WeakPolarHBondContact O-CB 3.24Å; L69-L73 PolarHBondContact O-N 3.46Å; L69-F145 HydrophobicContact CD2-CD2 3.72Å; L69-F145 HydrophobicContact CD2-CE2 3.76Å; L69-F145 HydrophobicContact CD2-CG 4.43Å; L69-F145 HydrophobicContact CD2-CZ 4.49Å; L69-F145 WeakPolarHBondContact CD2-O 3.36Å; L69-A148 HydrophobicContact CB-CB 4.48Å; L69-A148 HydrophobicContact CD2-CB 3.91Å; L69-A148 HydrophobicContact CG-CB 3.85Å; L69-N149 HydrophobicContact CD2-CB 3.82Å; L69-L152 HydrophobicContact CD1-CB 3.97Å; L69-L152 HydrophobicContact CD1-CD1 3.88Å; L69-L152 HydrophobicContact CD1-CD2 3.9Å; L69-L152 HydrophobicContact CD1-CG 4.11Å
70F90.1Very high83.3Confident128 Ų12874.9 Ų74.956%0.56137%0.374SS*.Hα-helixtrans-64.3-40.3178.5-176.5-113.4000111.8G66 F67 L73 I74G66-F70 PolarHBondContact O-N 2.82Å; F67-F70 PolarHBondContact O-N 2.89Å; F70-L73 PolarHBondContact O-N 3.27Å; F70-I74 HydrophobicContact CD1-CD1 3.83Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CG-CD1 4.49Å; F70-I74 HydrophobicContact CZ-CD1 3.77Å; F70-I74 HydrophobicContact CZ-CG1 4.4Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.38Å
71L90.6Very high84.7Confident61 Ų6165.9 Ų65.932%0.31935%0.347SS..Hα-helixtrans-63.3-45.7175-176.862.4000111.9F67 F68 L73 I74 I75F67-L71 HydrophobicContact CE1-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.43Å; F67-L71 PolarHBondContact O-N 2.7Å; F68-L71 PolarHBondContact O-N 2.86Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.84Å; L71-I74 PolarHBondContact O-N 2.85Å; L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 2.9Å
72G93.8Very high86.3Confident0 Ų062.5 Ų62.50%033%0.329CS..Hα-helixtrans-59.6-39.7174.500000112.5F68 L69 I75 L76F68-G72 PolarHBondContact O-N 2.76Å; L69-G72 PolarHBondContact O-N 2.66Å; G72-I75 PolarHBondContact O-N 2.75Å; G72-L76 VanDerWaalsContact O-CB 3.26Å; G72-L76 WeakPolarHBondContact O-CB 3.49Å; G72-L76 PolarHBondContact O-N 3.03Å
73L92.7Very high87.7Confident98 Ų9853 Ų5351%0.51330%0.298SS..Hα-helixtrans-67.7-39.2176.7-147.3167.2000112L69 F70 L71 L76 A77L69-L73 WeakPolarHBondContact O-CB 3.24Å; L69-L73 PolarHBondContact O-N 3.46Å; F70-L73 PolarHBondContact O-N 3.27Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 2.84Å; L73-L76 PolarHBondContact O-N 2.69Å; L73-A77 WeakPolarHBondContact O-CB 3.1Å; L73-A77 PolarHBondContact O-N 3.39Å
74I93.9Very high88.4Confident78 Ų7854.4 Ų54.440%0.431%0.305SS..Hα-helixtrans-62.4-48.7172.1-72.6170.6000111F70 L71 L76 A77 V78F70-I74 HydrophobicContact CD1-CD1 3.83Å; F70-I74 HydrophobicContact CE1-CD1 3.43Å; F70-I74 VanDerWaalsContact CE1-CD1 3.43Å; F70-I74 HydrophobicContact CE1-CG1 4.42Å; F70-I74 HydrophobicContact CE2-CD1 4.42Å; F70-I74 HydrophobicContact CG-CD1 4.49Å; F70-I74 HydrophobicContact CZ-CD1 3.77Å; F70-I74 HydrophobicContact CZ-CG1 4.4Å; F70-I74 WeakPolarHBondContact O-CG1 3.35Å; F70-I74 PolarHBondContact O-N 3.38Å; L71-I74 PolarHBondContact O-N 2.85Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.23Å; I74-A77 PolarHBondContact O-N 2.91Å; I74-V78 WeakPolarHBondContact O-CG2 3.15Å; I74-V78 PolarHBondContact O-N 2.97Å
75I92.9Very high88.5Confident46 Ų4656.3 Ų56.324%0.23631%0.305CS..Hα-helixtrans-62.5-40.4-179.8-66.6166.5000110.4L71 G72 V78 G79 I140 I144L71-I75 HydrophobicContact CD1-CD1 4.22Å; L71-I75 HydrophobicContact CG-CD1 4.01Å; L71-I75 WeakPolarHBondContact O-CG1 3.31Å; L71-I75 PolarHBondContact O-N 2.9Å; G72-I75 PolarHBondContact O-N 2.75Å; I75-V78 PolarHBondContact O-N 3.2Å; I75-G79 PolarHBondContact O-N 3.33Å; I75-I140 HydrophobicContact CG2-CG2 4.49Å; I75-I144 HydrophobicContact CD1-CD1 3.82Å
76L94.5Very high88.5Confident35 Ų3556.5 Ų56.518%0.18331%0.309CS..Hα-helixtrans-62.1-45.2173.7178.555.2000112.1G72 L73 I74 V78 G79 I80 M138 I142G72-L76 VanDerWaalsContact O-CB 3.26Å; G72-L76 WeakPolarHBondContact O-CB 3.49Å; G72-L76 PolarHBondContact O-N 3.03Å; L73-L76 PolarHBondContact O-N 2.69Å; I74-L76 VanDerWaalsContact C-N 3.3Å; I74-L76 PolarHBondContact O-N 3.23Å; L76-V78 VanDerWaalsContact C-N 3.34Å; L76-V78 PolarHBondContact O-N 2.9Å; L76-G79 PolarHBondContact O-N 3.35Å; L76-I80 HydrophobicContact CD1-CD1 3.88Å; L76-I80 HydrophobicContact CD1-CG1 4.13Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.19Å; L76-I80 PolarHBondContact O-N 2.86Å; L76-M138 HydrophobicContact CD1-CB 4.49Å; L76-M138 HydrophobicContact CD1-CG 3.76Å; L76-I142 HydrophobicContact CD1-CD1 4.31Å; L76-I142 HydrophobicContact CD1-CG1 3.89Å; L76-I142 HydrophobicContact CD2-CG1 4.36Å
77A91.9Very high87.9Confident57 Ų5765.9 Ų65.947%0.47135%0.345SS..Hα-helixtrans-63-39.717700000112.1L73 I74 G81L73-A77 WeakPolarHBondContact O-CB 3.1Å; L73-A77 PolarHBondContact O-N 3.39Å; I74-A77 PolarHBondContact O-N 2.91Å; A77-G81 PolarHBondContact O-N 3.47Å
78V89.4Confident87.3Confident65 Ų6568.3 Ų68.339%0.39435%0.351SS..Hα-helixtrans-62.5-49.5171.5172.80000110.3I74 I75 L76 I80 G81 M82I74-V78 WeakPolarHBondContact O-CG2 3.15Å; I74-V78 PolarHBondContact O-N 2.97Å; I75-V78 PolarHBondContact O-N 3.2Å; L76-V78 VanDerWaalsContact C-N 3.34Å; L76-V78 PolarHBondContact O-N 2.9Å; V78-I80 VanDerWaalsContact C-N 3.33Å; V78-I80 PolarHBondContact O-N 2.79Å; V78-G81 CarbonylContact O-C 3.52Å; V78-G81 WeakPolarHBondContact O-CA 3.46Å; V78-G81 PolarHBondContact O-N 3.35Å; V78-M82 HydrophobicContact CG1-CG 4.11Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.45Å; V78-M82 PolarHBondContact O-N 3.02Å
79G90.8Very high85.9Confident0 Ų067.1 Ų67.10%036%0.355CS..Hα-helixtrans-59.5-38.9179.400000113.8I75 L76 M82 A83 T137I75-G79 PolarHBondContact O-N 3.33Å; L76-G79 PolarHBondContact O-N 3.35Å; G79-M82 PolarHBondContact O-N 3.47Å; G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 3.38Å; G79-T137 VanDerWaalsContact CA-OG1 3.32Å; G79-T137 WeakPolarHBondContact CA-OG1 3.31Å
80I89.7Confident84.2Confident80 Ų8074.1 Ų74.141%0.4139%0.387SS..Hα-helixtrans-65.6-41.8171.9-66.5163.1000110.9L76 V78 A83 T84L76-I80 HydrophobicContact CD1-CD1 3.88Å; L76-I80 HydrophobicContact CD1-CG1 4.13Å; L76-I80 HydrophobicContact CG-CD1 3.9Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.19Å; L76-I80 PolarHBondContact O-N 2.86Å; V78-I80 VanDerWaalsContact C-N 3.33Å; V78-I80 PolarHBondContact O-N 2.79Å; I80-A83 PolarHBondContact O-N 3.43Å; I80-T84 HydrophobicContact CG2-CG2 4.4Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 WeakPolarHBondContact O-CG2 3.42Å; I80-T84 PolarHBondContact O-N 2.85Å; I80-T84 PolarHBondContact O-OG1 2.88Å
81G87.5Confident82.1Confident24 Ų2474.3 Ų74.325%0.24739%0.394CS..Hα-helixtrans-60.5-44.1173.100000112.3A77 V78 T84 L85A77-G81 PolarHBondContact O-N 3.47Å; V78-G81 CarbonylContact O-C 3.52Å; V78-G81 WeakPolarHBondContact O-CA 3.46Å; V78-G81 PolarHBondContact O-N 3.35Å; G81-T84 WeakPolarHBondContact CA-OG1 3.29Å; G81-T84 PolarHBondContact O-N 3.08Å; G81-T84 PolarHBondContact O-OG1 3.11Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; G81-L85 VanDerWaalsContact O-CB 3.31Å; G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.24Å; G81-L85 WeakPolarHBondContact O-CG 3.45Å; G81-L85 PolarHBondContact O-N 2.89Å
82M83.9Confident80.1Confident28 Ų2880.8 Ų80.814%0.13842%0.419CS..Hα-helixtrans-67.9-39.3177.8-59.2-37-60.400112.2V78 G79 G86 L125V78-M82 HydrophobicContact CG1-CG 4.11Å; V78-M82 VanDerWaalsContact O-CG 3.29Å; V78-M82 WeakPolarHBondContact O-CG 3.45Å; V78-M82 PolarHBondContact O-N 3.02Å; G79-M82 PolarHBondContact O-N 3.47Å; M82-G86 PolarHBondContact O-N 2.86Å; M82-L125 HydrophobicContact CE-CD1 3.35Å; M82-L125 HydrophobicContact CE-CD2 3.5Å; M82-L125 HydrophobicContact CE-CG 4.09Å
83A85.9Confident77.8Confident33 Ų3385.3 Ų85.327%0.27346%0.456SS..Hα-helixtrans-66.2-43175.500000111.9G79 I80 Y87G79-A83 VanDerWaalsContact O-CB 3.31Å; G79-A83 WeakPolarHBondContact O-CB 3.41Å; G79-A83 PolarHBondContact O-N 3.38Å; I80-A83 PolarHBondContact O-N 3.43Å; A83-Y87 WeakPolarHBondContact O-CB 3.32Å; A83-Y87 PolarHBondContact O-N 3.2Å
84T84Confident75.5Confident81 Ų8186.6 Ų86.650%0.49747%0.468SS..Hα-helixtrans-71.2-39.6179.150.30000112.4I80 G81 Y87 W88I80-T84 HydrophobicContact CG2-CG2 4.4Å; I80-T84 WeakPolarHBondContact O-CB 3.35Å; I80-T84 WeakPolarHBondContact O-CG2 3.42Å; I80-T84 PolarHBondContact O-N 2.85Å; I80-T84 PolarHBondContact O-OG1 2.88Å; G81-T84 WeakPolarHBondContact CA-OG1 3.29Å; G81-T84 PolarHBondContact O-N 3.08Å; G81-T84 PolarHBondContact O-OG1 3.11Å; G81-T84 VanDerWaalsContact O-OG1 3.1Å; T84-Y87 CarbonylContact O-C 3.56Å; T84-Y87 PolarHBondContact O-N 2.69Å; T84-W88 WeakPolarHBondContact O-CA 3.3Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 2.98Å
85L79.3Confident73.8Confident113 Ų11388.4 Ų88.459%0.59249%0.485SS*.Hα-helixtrans-68.6-40.6173.4-69.7168.4000112.4G81 Y87 W88G81-L85 VanDerWaalsContact O-CB 3.31Å; G81-L85 WeakPolarHBondContact O-CB 3.39Å; G81-L85 VanDerWaalsContact O-CG 3.24Å; G81-L85 WeakPolarHBondContact O-CG 3.45Å; G81-L85 PolarHBondContact O-N 2.89Å; L85-Y87 VanDerWaalsContact C-N 3.25Å; L85-Y87 PolarHBondContact O-N 2.81Å; L85-W88 WeakPolarHBondContact O-CB 3.01Å; L85-W88 PolarHBondContact O-N 2.92Å
86G77.6Confident71.1Confident16 Ų1692.9 Ų92.917%0.16552%0.515CS..Hα-helixtrans-69.3-19.7177.100000114.4M82 K131M82-G86 PolarHBondContact O-N 2.86Å; G86-K131 WeakPolarHBondContact O-CE 3.21Å; G86-K131 WeakPolarHBondContact O-CG 3.4Å
87Y71.1Confident68.4Low196 Ų19695 Ų9577%0.76955%0.545SS*.THydrogen-bonded Turntrans-105.5-0.9172.5-144.9-93.2000113.1A83 T84 L85 P89A83-Y87 WeakPolarHBondContact O-CB 3.32Å; A83-Y87 PolarHBondContact O-N 3.2Å; T84-Y87 CarbonylContact O-C 3.56Å; T84-Y87 PolarHBondContact O-N 2.69Å; L85-Y87 VanDerWaalsContact C-N 3.25Å; L85-Y87 PolarHBondContact O-N 2.81Å; Y87-P89 WeakPolarHBondContact O-CD 3.25Å
88W75.6Confident65.7Low169 Ų16996.1 Ų96.164%0.6456%0.562SS**SBendtrans-66.4117.5178.9-168.2-93.3000108.8T84 L85 H90T84-W88 WeakPolarHBondContact O-CA 3.3Å; T84-W88 WeakPolarHBondContact O-CB 3.38Å; T84-W88 PolarHBondContact O-N 2.98Å; L85-W88 WeakPolarHBondContact O-CB 3.01Å; L85-W88 PolarHBondContact O-N 2.92Å; W88-H90 PolarHBondContact O-N 2.72Å; W88-H90 PolarHBondContact O-ND1 2.77Å; W88-H90 VanDerWaalsContact O-ND1 3.07Å
89P58.5Low63.4Low86 Ų8696.2 Ų96.256%0.55858%0.576SS**  trans-61.8117.9179.225.7-32.3000107.7Y87 N91Y87-P89 WeakPolarHBondContact O-CD 3.25Å; P89-N91 PolarHBondContact O-N 2.61Å
90H54.4Low60.9Low163 Ų163103.9 Ų103.976%0.75562%0.617SS**  trans-69.689.8172.3-74.548.9000107W88 K92W88-H90 PolarHBondContact O-N 2.72Å; W88-H90 PolarHBondContact O-ND1 2.77Å; W88-H90 VanDerWaalsContact O-ND1 3.07Å; H90-K92 PolarHBondContact O-N 2.81Å
91N46.2Very low58.6Low132 Ų132108.7 Ų108.771%0.70664%0.638SS**  trans-51.9112.9173.2-69.3-26.6000107.2P89 A93P89-N91 PolarHBondContact O-N 2.61Å; N91-A93 PolarHBondContact O-N 2.94Å
92K48.1Very low56.2Low196 Ų196113.7 Ų113.785%0.85266%0.663SS**  trans-63.7100.4-170.1-65.6-177.6-180-178.90109.8H90 V94H90-K92 PolarHBondContact O-N 2.81Å; K92-V94 PolarHBondContact O-N 3.32Å; K92-V94 VanDerWaalsContact O-N 3.16Å
93A46.7Very low53.7Low95 Ų95121.2 Ų121.279%0.78570%0.695SS**  trans-61.6111.9151.100000106.5N91N91-A93 PolarHBondContact O-N 2.94Å
94V43.9Very low51.6Low125 Ų125128.1 Ų128.176%0.75872%0.724SS**  trans-65.3133.6174.4174.40000107.6K92K92-V94 PolarHBondContact O-N 3.32Å; K92-V94 VanDerWaalsContact O-N 3.16Å
95P56.8Low49Very low116 Ų116127.9 Ų127.975%0.75374%0.738SS**  trans-74.4143.7-173.430.6-35.8000111.3
96T36.5Very low47.1Very low140 Ų140130.5 Ų130.586%0.85974%0.744SS**  trans-134.5120.6158.5-63.50000106.3
97G38Very low44.9Very low79 Ų79137.9 Ų137.981%0.81478%0.78SS**  trans-79.7166-172.600000112.9
98G36.1Very low43.3Very low82 Ų82133 Ų13385%0.84578%0.775SS**  trans125.6100.4166.400000114.4
99G41.1Very low41.3Very low66 Ų66130.5 Ų130.568%0.6878%0.783SS**  trans83.9124.1141.300000119.2
100N37.6Very low40.2Very low161 Ų161131.7 Ų131.786%0.86179%0.794SS**  trans79.299.7139.1-51.2-6.3000118.3
101E42.6Very low39.6Very low182 Ų182132 Ų13285%0.8579%0.792SS**  4127.4125.1-174.1-177.417500117.2
102V35.3Very low39.5Very low128 Ų128137.3 Ų137.378%0.77680%0.803SS**  trans-165.7126.6131.9137.60000112.3
103K32Very low39.5Very low187 Ų187133.8 Ų133.881%0.81380%0.798SS**  trans50.9104.8155-66.3178.1177.7174.80121.1G105K103-G105 PolarHBondContact O-N 2.86Å
104M41.5Very low39.6Very low177 Ų177130.8 Ų130.887%0.87278%0.776SS**  trans-34.9115.8133.1174.977.674.700112.4
105G30.6Very low40.4Very low77 Ų77126.3 Ų126.379%0.79476%0.755SS**  trans-117.9101.1168.200000109.9K103K103-G105 PolarHBondContact O-N 2.86Å
106K38.8Very low40.8Very low167 Ų167124 Ų12473%0.72675%0.746SS**  trans-97.9125.1-178.8165.7-167.3172.1-170.40108.9
107D32.3Very low41.9Very low171 Ų171123.1 Ų123.191%0.91474%0.735SS**  trans-135.7141.7153.4-91.4-46.1000112.1
108S36.9Very low42.9Very low95 Ų95125.1 Ų125.166%0.66473%0.725SS**  trans-120.6146.8-161.656.30000112.4
109S34.3Very low44.2Very low115 Ų115129.9 Ų129.980%0.80472%0.717SS**  -177.8113.6117.3-1720000111.9
110S34.5Very low45.2Very low112 Ų112133.3 Ų133.378%0.78371%0.714SS**SBendtrans161-27.3153.447.60000114.1
111K41.2Very low46.3Very low168 Ų168128.7 Ų128.773%0.7369%0.689SS**  trans-108.745.7-165.2-66.2-177.1178.6177.30116.4G114 G115K111-G114 PolarHBondContact O-N 3.03Å; K111-G115 PolarHBondContact O-N 3.32Å
112R44.3Very low47.3Very low244 Ų244125 Ų12592%0.92167%0.671SS**Hα-helixtrans-61.4-43.7173.6-82-169.8179.5-176.31.6112.4
113T48Very low48.6Very low123 Ų123126 Ų12676%0.75567%0.667SS**Hα-helixtrans-71.4-37.1175.9-37.60000112.4G115 A116T113-G115 VanDerWaalsContact C-N 3.32Å; T113-G115 PolarHBondContact O-N 2.75Å; T113-A116 PolarHBondContact O-N 3.4Å
114G50Low49.8Very low32 Ų32122.6 Ų122.633%0.3366%0.655SS.*Hα-helixtrans-65.7-31.6178.700000113.6K111 A116 M118K111-G114 PolarHBondContact O-N 3.03Å; G114-A116 PolarHBondContact O-N 3.01Å; G114-M118 WeakPolarHBondContact O-CB 3.32Å; G114-M118 PolarHBondContact O-N 3.41Å
115G60Low50.6Low30 Ų30115 Ų11531%0.30962%0.618SS.*Hα-helixtrans-65.9-31.8-179.900000114.5K111 T113 R119K111-G115 PolarHBondContact O-N 3.32Å; T113-G115 VanDerWaalsContact C-N 3.32Å; T113-G115 PolarHBondContact O-N 2.75Å; G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.27Å; G115-R119 PolarHBondContact O-N 3.42Å
116A64.6Low51.7Low68 Ų68119.2 Ų119.256%0.56262%0.616SS**Hα-helixtrans-72.2-48.8177.200000111.5T113 G114 M118 R119 F120T113-A116 PolarHBondContact O-N 3.4Å; G114-A116 PolarHBondContact O-N 3.01Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 2.88Å; A116-R119 PolarHBondContact O-N 3.26Å; A116-F120 WeakPolarHBondContact O-CB 3.31Å; A116-F120 PolarHBondContact O-N 3.25Å
117L59.7Low52.7Low121 Ų121115.7 Ų115.763%0.63461%0.612SS**Hα-helixtrans-61.6-40.7174.2-78.3169.9000111.9F120 L121L117-F120 PolarHBondContact O-N 3.49Å; L117-L121 WeakPolarHBondContact O-CB 3.44Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.87Å
118M58.7Low54Low121 Ų121116.1 Ų116.160%0.59661%0.609SS**Hα-helixtrans-62.6-43.8176.4-175.9170.4168.900111.4G114 A116 L121 E122G114-M118 WeakPolarHBondContact O-CB 3.32Å; G114-M118 PolarHBondContact O-N 3.41Å; A116-M118 VanDerWaalsContact C-N 3.33Å; A116-M118 PolarHBondContact O-N 2.88Å; M118-L121 PolarHBondContact O-N 3.41Å; M118-E122 WeakPolarHBondContact O-CB 3.24Å; M118-E122 PolarHBondContact O-N 2.94Å
119R64.3Low55.1Low182 Ų182120.9 Ų120.969%0.68761%0.612SS**Hα-helixtrans-66-36.8174.4-77.1177.9176.4-168.5-2.7113.5G115 A116 E122 Q123G115-R119 WeakPolarHBondContact O-CB 3.33Å; G115-R119 VanDerWaalsContact O-CG 3.31Å; G115-R119 WeakPolarHBondContact O-CG 3.27Å; G115-R119 PolarHBondContact O-N 3.42Å; A116-R119 PolarHBondContact O-N 3.26Å; R119-E122 PolarHBondContact O-N 3.5Å; R119-Q123 WeakPolarHBondContact O-CB 3.1Å; R119-Q123 VanDerWaalsContact O-CG 3.3Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.14Å
120F61.9Low56.4Low139 Ų139119 Ų11961%0.6159%0.591SS**Hα-helixtrans-70-40.2177.8-151.4-85.3000111.4A116 L117 H124A116-F120 WeakPolarHBondContact O-CB 3.31Å; A116-F120 PolarHBondContact O-N 3.25Å; L117-F120 PolarHBondContact O-N 3.49Å; F120-H124 WeakPolarHBondContact O-CB 3.21Å; F120-H124 PolarHBondContact O-N 2.89Å
121L61.7Low58.2Low64 Ų64120.1 Ų120.134%0.33558%0.582SS.*Hα-helixtrans-59.4-52.2168.2-74.2164.6000109.8L117 M118 Q123 H124 L125L117-L121 WeakPolarHBondContact O-CB 3.44Å; L117-L121 VanDerWaalsContact O-CG 3.28Å; L117-L121 WeakPolarHBondContact O-CG 3.35Å; L117-L121 PolarHBondContact O-N 2.87Å; M118-L121 PolarHBondContact O-N 3.41Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 2.71Å; L121-H124 CarbonylContact O-C 3.34Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 2.91Å; L121-L125 HydrophobicContact CB-CD1 4.01Å; L121-L125 VanDerWaalsContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 WeakPolarHBondContact O-CD1 3.33Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.39Å
122E62.3Low59.8Low104 Ų104119 Ų11949%0.48658%0.582SS.*Hα-helixtrans-57.1-39.3-178.9-165.7154.3-146.800112.8M118 R119 L125 H126M118-E122 WeakPolarHBondContact O-CB 3.24Å; M118-E122 PolarHBondContact O-N 2.94Å; R119-E122 PolarHBondContact O-N 3.5Å; E122-L125 PolarHBondContact O-N 2.86Å; E122-H126 PolarHBondContact O-N 2.87Å
123Q64.1Low61.6Low148 Ų148108.6 Ų108.669%0.69254%0.544SS*.Hα-helixtrans-63.5-40.1169.2-74.7171.8-23.200112.9R119 L121 L125R119-Q123 WeakPolarHBondContact O-CB 3.1Å; R119-Q123 VanDerWaalsContact O-CG 3.3Å; R119-Q123 WeakPolarHBondContact O-CG 3.49Å; R119-Q123 PolarHBondContact O-N 3.14Å; L121-Q123 VanDerWaalsContact C-N 3.3Å; L121-Q123 PolarHBondContact O-N 2.71Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.35Å
124H56.2Low63.3Low117 Ų117102.8 Ų102.854%0.54251%0.508SS..Hα-helixtrans-80.2-4.3178.9-147.1-65000114.1F120 L121F120-H124 WeakPolarHBondContact O-CB 3.21Å; F120-H124 PolarHBondContact O-N 2.89Å; L121-H124 CarbonylContact O-C 3.34Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 2.91Å
125L57.7Low65.2Low18 Ų18105 Ų1059%0.09452%0.517CS..Hα-helixtrans-108.9-16.9-175.7-73167.9000113.6M82 L121 E122 Q123 S127 M130 L133M82-L125 HydrophobicContact CE-CD1 3.35Å; M82-L125 HydrophobicContact CE-CD2 3.5Å; M82-L125 HydrophobicContact CE-CG 4.09Å; L121-L125 HydrophobicContact CB-CD1 4.01Å; L121-L125 VanDerWaalsContact O-CB 3.25Å; L121-L125 WeakPolarHBondContact O-CB 3.45Å; L121-L125 WeakPolarHBondContact O-CD1 3.33Å; L121-L125 WeakPolarHBondContact O-CG 3.26Å; L121-L125 PolarHBondContact O-N 3.39Å; E122-L125 PolarHBondContact O-N 2.86Å; Q123-L125 VanDerWaalsContact C-N 3.27Å; Q123-L125 PolarHBondContact O-N 3.35Å; L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.43Å; L125-S127 VanDerWaalsContact O-N 3.08Å; L125-M130 HydrophobicContact CB-CE 3.79Å; L125-M130 HydrophobicContact CB-SD 3.76Å; L125-M130 HydrophobicContact CD2-SD 3.45Å; L125-M130 WeakPolarHBondContact CD2-SD 3.3Å; L125-M130 HydrophobicContact CG-SD 4.08Å; L125-M130 VanDerWaalsContact O-CG 3.24Å; L125-M130 WeakPolarHBondContact O-CG 3.41Å; L125-L133 HydrophobicContact CD2-CD2 3.63Å; L125-L133 HydrophobicContact CG-CD2 4.43Å
126H55.1Low66.5Low164 Ų164109.8 Ų109.876%0.75953%0.529SS*.SBendtrans-75.1-2.2-160.9-143.2-35.8000116.8E122E122-H126 PolarHBondContact O-N 2.87Å
127S58.3Low67.7Low93 Ų93107.9 Ų107.965%0.6551%0.511SS*.SBendtrans-145.3103.2179.6-172.90000112.5L125 R129L125-S127 VanDerWaalsContact C-N 3.28Å; L125-S127 PolarHBondContact O-N 3.43Å; L125-S127 VanDerWaalsContact O-N 3.08Å; S127-R129 PolarHBondContact O-N 3.17Å
128E61.2Low69.3Low181 Ų181105.8 Ų105.885%0.84650%0.499SS*.SBendtrans52.9-28169.5-59-164.8136.800119.7M130E128-M130 PolarHBondContact O-N 2.81Å
129R59.8Low70.9Confident195 Ų195101.8 Ų101.874%0.73649%0.489SS*.THydrogen-bonded Turntrans-73.8-6.8-177.3-61.1-168.6178.1-165.5-0.2113.9S127 K131 M132 L133S127-R129 PolarHBondContact O-N 3.17Å; R129-K131 PolarHBondContact O-N 3.05Å; R129-K131 VanDerWaalsContact O-N 3.11Å; R129-M132 PolarHBondContact O-N 3.35Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.01Å
130M61.6Low72.3Confident74 Ų7496.3 Ų96.337%0.36547%0.472SS..Hα-helixtrans-34.7-50.4167-77.9-76.6-155.500113.6L125 E128 G134L125-M130 HydrophobicContact CB-CE 3.79Å; L125-M130 HydrophobicContact CB-SD 3.76Å; L125-M130 HydrophobicContact CD2-SD 3.45Å; L125-M130 WeakPolarHBondContact CD2-SD 3.3Å; L125-M130 HydrophobicContact CG-SD 4.08Å; L125-M130 VanDerWaalsContact O-CG 3.24Å; L125-M130 WeakPolarHBondContact O-CG 3.41Å; E128-M130 PolarHBondContact O-N 2.81Å; M130-G134 PolarHBondContact O-N 3.23Å
131K70.9Confident73.8Confident136 Ų13689.7 Ų89.759%0.59144%0.443SS*.Hα-helixtrans-75.5-25.3-174.2-72.6175.7175.3172.60113.8G86 R129 P135G86-K131 WeakPolarHBondContact O-CE 3.21Å; G86-K131 WeakPolarHBondContact O-CG 3.4Å; R129-K131 PolarHBondContact O-N 3.05Å; R129-K131 VanDerWaalsContact O-N 3.11Å; K131-P135 WeakPolarHBondContact O-CD 3.3Å
132M75.4Confident75.3Confident146 Ų14689.6 Ų89.672%0.71944%0.442SS*.Hα-helixtrans-89-29176.2-61.1-58.8-72.400111.7R129 F136R129-M132 PolarHBondContact O-N 3.35Å; M132-F136 VanDerWaalsContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 3.2Å
133L81.8Confident76.9Confident25 Ų2591.3 Ų91.313%0.13145%0.448CS..Hα-helixtrans-71.4-33.7-178.4-159.474.7000112.7L125 R129 F136 T137L125-L133 HydrophobicContact CD2-CD2 3.63Å; L125-L133 HydrophobicContact CG-CD2 4.43Å; R129-L133 WeakPolarHBondContact O-CB 3.5Å; R129-L133 PolarHBondContact O-N 3.01Å; L133-F136 HydrophobicContact CD1-CD1 4.15Å; L133-F136 PolarHBondContact O-N 3.04Å; L133-T137 HydrophobicContact CG-CG2 4.15Å; L133-T137 WeakPolarHBondContact O-CB 3.47Å; L133-T137 WeakPolarHBondContact O-CG2 3.17Å; L133-T137 PolarHBondContact O-N 3.42Å; L133-T137 PolarHBondContact O-OG1 3.46Å
134G84.9Confident78.3Confident0 Ų086.4 Ų86.40%043%0.427CS..Hα-helixtrans-57-60.3174.100000112.8M130 F136 T137 M138M130-G134 PolarHBondContact O-N 3.23Å; G134-F136 VanDerWaalsContact C-N 3.31Å; G134-F136 PolarHBondContact O-N 3.42Å; G134-T137 PolarHBondContact O-N 3.43Å; G134-T137 PolarHBondContact O-OG1 2.87Å; G134-M138 WeakPolarHBondContact O-CB 3.3Å; G134-M138 PolarHBondContact O-N 2.91Å
135P88.3Confident79.9Confident78 Ų7884.4 Ų84.451%0.50642%0.416SS..Hα-helixtrans-58.1-37.3174.6-26.635.6000114K131 G139K131-P135 WeakPolarHBondContact O-CD 3.3Å; P135-G139 PolarHBondContact O-N 3.37Å
136F88.7Confident81.6Confident132 Ų13288.3 Ų88.358%0.57944%0.437SS*.Hα-helixtrans-65.3-49.4177.7178.2-106.3000112.6M132 L133 G134 G139 I140M132-F136 VanDerWaalsContact O-CB 3.3Å; M132-F136 WeakPolarHBondContact O-CB 3.39Å; M132-F136 PolarHBondContact O-N 3.2Å; L133-F136 HydrophobicContact CD1-CD1 4.15Å; L133-F136 PolarHBondContact O-N 3.04Å; G134-F136 VanDerWaalsContact C-N 3.31Å; G134-F136 PolarHBondContact O-N 3.42Å; F136-G139 PolarHBondContact O-N 3.46Å; F136-I140 HydrophobicContact CD1-CD1 3.89Å; F136-I140 HydrophobicContact CD2-CD1 4.47Å; F136-I140 HydrophobicContact CE1-CD1 3.47Å; F136-I140 VanDerWaalsContact CE1-CD1 3.47Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CG-CD1 4.38Å; F136-I140 HydrophobicContact CZ-CD1 3.59Å; F136-I140 WeakPolarHBondContact O-CG1 3.17Å; F136-I140 PolarHBondContact O-N 3.21Å
137T89.3Confident83.3Confident28 Ų2882.9 Ų82.917%0.17242%0.416CS..Hα-helixtrans-69.8-33.3177.652.20000112.3G79 L133 G134 I140 G141G79-T137 VanDerWaalsContact CA-OG1 3.32Å; G79-T137 WeakPolarHBondContact CA-OG1 3.31Å; L133-T137 HydrophobicContact CG-CG2 4.15Å; L133-T137 WeakPolarHBondContact O-CB 3.47Å; L133-T137 WeakPolarHBondContact O-CG2 3.17Å; L133-T137 PolarHBondContact O-N 3.42Å; L133-T137 PolarHBondContact O-OG1 3.46Å; G134-T137 PolarHBondContact O-N 3.43Å; G134-T137 PolarHBondContact O-OG1 2.87Å; T137-I140 PolarHBondContact O-N 3.41Å; T137-G141 PolarHBondContact O-N 2.86Å
138M91.9Very high84.8Confident76 Ų7678.7 Ų78.737%0.37439%0.387SS..Hα-helixtrans-60.3-46.8168.3178.1178.3-179.700111.5L76 G134 G141 I142L76-M138 HydrophobicContact CD1-CB 4.49Å; L76-M138 HydrophobicContact CD1-CG 3.76Å; G134-M138 WeakPolarHBondContact O-CB 3.3Å; G134-M138 PolarHBondContact O-N 2.91Å; M138-G141 PolarHBondContact O-N 3.49Å; M138-I142 HydrophobicContact CE-CD1 3.89Å; M138-I142 HydrophobicContact CG-CD1 3.82Å; M138-I142 VanDerWaalsContact O-CG1 3.3Å; M138-I142 WeakPolarHBondContact O-CG1 3.32Å; M138-I142 PolarHBondContact O-N 3.42Å
139G93.1Very high86Confident38 Ų3872.5 Ų72.539%0.39236%0.36SS..Hα-helixtrans-60.6-44.2177.300000112.8P135 F136 I142 F143P135-G139 PolarHBondContact O-N 3.37Å; F136-G139 PolarHBondContact O-N 3.46Å; G139-I142 PolarHBondContact O-N 3.28Å; G139-F143 WeakPolarHBondContact O-CB 3.32Å; G139-F143 PolarHBondContact O-N 3.28Å
140I93.4Very high87.4Confident66 Ų6666.1 Ų66.134%0.33835%0.349SS..Hα-helixtrans-63-44.2174.1-69.1165.6000111.2I75 F136 T137 I142 F143 I144I75-I140 HydrophobicContact CG2-CG2 4.49Å; F136-I140 HydrophobicContact CD1-CD1 3.89Å; F136-I140 HydrophobicContact CD2-CD1 4.47Å; F136-I140 HydrophobicContact CE1-CD1 3.47Å; F136-I140 VanDerWaalsContact CE1-CD1 3.47Å; F136-I140 HydrophobicContact CE2-CD1 4.09Å; F136-I140 HydrophobicContact CG-CD1 4.38Å; F136-I140 HydrophobicContact CZ-CD1 3.59Å; F136-I140 WeakPolarHBondContact O-CG1 3.17Å; F136-I140 PolarHBondContact O-N 3.21Å; T137-I140 PolarHBondContact O-N 3.41Å; I140-I142 PolarHBondContact O-N 2.84Å; I140-F143 PolarHBondContact O-N 2.93Å; I140-I144 HydrophobicContact CG2-CD1 3.75Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.39Å
141G93.7Very high88.5Confident0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-60.9-43.3176.900000112.8T137 M138 F145T137-G141 PolarHBondContact O-N 2.86Å; M138-G141 PolarHBondContact O-N 3.49Å; G141-F145 VanDerWaalsContact O-CB 3.23Å; G141-F145 WeakPolarHBondContact O-CB 3.38Å; G141-F145 PolarHBondContact O-N 2.9Å
142I93.9Very high88.8Confident62 Ų6261.4 Ų61.432%0.31833%0.331SS..Hα-helixtrans-65.4-44.2175.5-68.7166.8000111.1L76 M138 G139 I140 F145 I146L76-I142 HydrophobicContact CD1-CD1 4.31Å; L76-I142 HydrophobicContact CD1-CG1 3.89Å; L76-I142 HydrophobicContact CD2-CG1 4.36Å; M138-I142 HydrophobicContact CE-CD1 3.89Å; M138-I142 HydrophobicContact CG-CD1 3.82Å; M138-I142 VanDerWaalsContact O-CG1 3.3Å; M138-I142 WeakPolarHBondContact O-CG1 3.32Å; M138-I142 PolarHBondContact O-N 3.42Å; G139-I142 PolarHBondContact O-N 3.28Å; I140-I142 PolarHBondContact O-N 2.84Å; I142-F145 PolarHBondContact O-N 3.33Å; I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.49Å
143F95.3Very high88.7Confident140 Ų14059.6 Ų59.661%0.61432%0.32SS*.Hα-helixtrans-59.1-51.3177.4175.8-102.9000111.5G139 I140 F145 I146 C147G139-F143 WeakPolarHBondContact O-CB 3.32Å; G139-F143 PolarHBondContact O-N 3.28Å; I140-F143 PolarHBondContact O-N 2.93Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 3.42Å; F143-I146 PolarHBondContact O-N 3.01Å; F143-C147 WeakPolarHBondContact O-CB 3.49Å; F143-C147 PolarHBondContact O-N 3.25Å; F143-C147 PolarHBondContact O-SG 2.88Å; F143-C147 VanDerWaalsContact O-SG 3.37Å
144I92.7Very high88.5Confident45 Ų4563.2 Ų63.223%0.23134%0.337CS..Hα-helixtrans-59.6-43.5176.4-66.3168000110.7I75 I140 A148I75-I144 HydrophobicContact CD1-CD1 3.82Å; I140-I144 HydrophobicContact CG2-CD1 3.75Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.39Å; I140-I144 PolarHBondContact O-N 3.39Å; I144-A148 WeakPolarHBondContact O-CB 3.45Å; I144-A148 PolarHBondContact O-N 2.95Å
145F90.8Very high87.7Confident75 Ų7566.6 Ų66.633%0.32936%0.355SS..Hα-helixtrans-61.8-45.4177.9179.4-98.9000112.2L69 G141 I142 F143 N149L69-F145 HydrophobicContact CD2-CD2 3.72Å; L69-F145 HydrophobicContact CD2-CE2 3.76Å; L69-F145 HydrophobicContact CD2-CG 4.43Å; L69-F145 HydrophobicContact CD2-CZ 4.49Å; L69-F145 WeakPolarHBondContact CD2-O 3.36Å; G141-F145 VanDerWaalsContact O-CB 3.23Å; G141-F145 WeakPolarHBondContact O-CB 3.38Å; G141-F145 PolarHBondContact O-N 2.9Å; I142-F145 PolarHBondContact O-N 3.33Å; F143-F145 VanDerWaalsContact C-N 3.32Å; F143-F145 PolarHBondContact O-N 3.42Å; F145-N149 WeakPolarHBondContact O-CB 3.09Å; F145-N149 PolarHBondContact O-N 3.17Å
146I92.9Very high86.7Confident101 Ų10167.2 Ų67.252%0.51835%0.347SS..Hα-helixtrans-67.2-45.3178.9-67.6170.8000110.9I142 F143 N149 A150I142-I146 HydrophobicContact CG2-CD1 3.6Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 WeakPolarHBondContact O-CG1 3.23Å; I142-I146 PolarHBondContact O-N 3.49Å; F143-I146 PolarHBondContact O-N 3.01Å; I146-N149 PolarHBondContact O-N 3.03Å; I146-A150 WeakPolarHBondContact O-CB 3.35Å; I146-A150 PolarHBondContact O-N 3.14Å
147C91.1Very high85.1Confident49 Ų4964.3 Ų64.333%0.33134%0.337SS..Hα-helixtrans-61.7-46.2177-70.20000111.8F143 N149 A150 I151F143-C147 WeakPolarHBondContact O-CB 3.49Å; F143-C147 PolarHBondContact O-N 3.25Å; F143-C147 PolarHBondContact O-SG 2.88Å; F143-C147 VanDerWaalsContact O-SG 3.37Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 2.99Å; C147-A150 PolarHBondContact O-N 2.82Å; C147-I151 WeakPolarHBondContact O-CG1 2.99Å; C147-I151 PolarHBondContact O-N 2.84Å
148A89Confident83.6Confident5 Ų569.6 Ų69.64%0.04135%0.354CS..Hα-helixtrans-66.3-3317600000112.2F68 L69 I144 L152F68-A148 HydrophobicContact CB-CB 3.67Å; L69-A148 HydrophobicContact CB-CB 4.48Å; L69-A148 HydrophobicContact CD2-CB 3.91Å; L69-A148 HydrophobicContact CG-CB 3.85Å; I144-A148 WeakPolarHBondContact O-CB 3.45Å; I144-A148 PolarHBondContact O-N 2.95Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.48Å; A148-L152 PolarHBondContact O-N 3.48Å
149N87.2Confident81.8Confident51 Ų5170.8 Ų70.827%0.27336%0.359SS..Hα-helixtrans-69.9-40.9174.7-162.246.8000111.5L69 F145 I146 C147 L152 H153L69-N149 HydrophobicContact CD2-CB 3.82Å; F145-N149 WeakPolarHBondContact O-CB 3.09Å; F145-N149 PolarHBondContact O-N 3.17Å; I146-N149 PolarHBondContact O-N 3.03Å; C147-N149 VanDerWaalsContact C-N 3.31Å; C147-N149 PolarHBondContact O-N 2.99Å; N149-L152 CarbonylContact O-C 3.53Å; N149-L152 PolarHBondContact O-N 3.42Å; N149-H153 PolarHBondContact ND2-CD2 3.26Å; N149-H153 PolarHBondContact ND2-NE2 3.45Å; N149-H153 WeakPolarHBondContact O-CB 3.36Å; N149-H153 PolarHBondContact O-CD2 3.43Å; N149-H153 PolarHBondContact O-N 2.77Å; N149-H153 PolarHBondContact OD1-CD2 2.87Å
150A88.5Confident79.8Confident61 Ų6172.5 Ų72.550%0.50436%0.362SS..Hα-helixtrans-60.3-48.2174.500000111.2I146 C147 L152 H153 E154I146-A150 WeakPolarHBondContact O-CB 3.35Å; I146-A150 PolarHBondContact O-N 3.14Å; C147-A150 PolarHBondContact O-N 2.82Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.79Å; A150-H153 PolarHBondContact O-N 3.49Å; A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.43Å
151I84.8Confident77.7Confident91 Ų9175.2 Ų75.247%0.46737%0.371SS..Hα-helixtrans-61.6-40.3174.9-65.5164.4000111.1C147 E154 N155C147-I151 WeakPolarHBondContact O-CG1 2.99Å; C147-I151 PolarHBondContact O-N 2.84Å; I151-E154 PolarHBondContact O-N 3.27Å; I151-N155 WeakPolarHBondContact O-CB 3.47Å; I151-N155 PolarHBondContact O-N 3.23Å
152L78.1Confident75.7Confident20 Ų2080.3 Ų80.311%0.10540%0.397CS..Hα-helixtrans-68.4-38176.4-169.6112.3000111.7L59 L69 A148 N149 A150 N155 R156L59-L152 HydrophobicContact CD2-CD2 3.83Å; L69-L152 HydrophobicContact CD1-CB 3.97Å; L69-L152 HydrophobicContact CD1-CD1 3.88Å; L69-L152 HydrophobicContact CD1-CD2 3.9Å; L69-L152 HydrophobicContact CD1-CG 4.11Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.48Å; A148-L152 PolarHBondContact O-N 3.48Å; N149-L152 CarbonylContact O-C 3.53Å; N149-L152 PolarHBondContact O-N 3.42Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 2.79Å; L152-N155 PolarHBondContact O-N 3.21Å; L152-R156 WeakPolarHBondContact O-CA 3.44Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 PolarHBondContact O-N 2.83Å
153H72.7Confident73.9Confident108 Ų10883 Ų8350%0.541%0.411SS..Hα-helixtrans-67.3-39.2174.8-88.3-79.8000112N149 A150 R156 D157N149-H153 PolarHBondContact ND2-CD2 3.26Å; N149-H153 PolarHBondContact ND2-NE2 3.45Å; N149-H153 WeakPolarHBondContact O-CB 3.36Å; N149-H153 PolarHBondContact O-CD2 3.43Å; N149-H153 PolarHBondContact O-N 2.77Å; N149-H153 PolarHBondContact OD1-CD2 2.87Å; A150-H153 PolarHBondContact O-N 3.49Å; H153-R156 PolarHBondContact O-N 3.03Å; H153-D157 WeakPolarHBondContact O-CB 3.28Å; H153-D157 PolarHBondContact O-N 3.33Å
154E77.7Confident71.8Confident102 Ų10282.8 Ų82.848%0.47741%0.412SS..Hα-helixtrans-61.6-50.3172.6-168.9-162.2159.100111.2A150 I151 R156 D157 R158A150-E154 WeakPolarHBondContact O-CB 3.39Å; A150-E154 PolarHBondContact O-N 3.43Å; I151-E154 PolarHBondContact O-N 3.27Å; E154-R156 VanDerWaalsContact C-N 3.3Å; E154-R156 PolarHBondContact O-N 2.85Å; E154-D157 PolarHBondContact O-N 2.83Å; E154-R158 WeakPolarHBondContact O-CG 3.34Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 IonicContact OE1-CZ 2.67Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.23Å; E154-R158 IonicContact OE1-NH2 3.46Å; E154-R158 PolarHBondContact OE1-NH2 2.73Å
155N68.4Low70.1Confident71 Ų7184.9 Ų84.938%0.3842%0.422SS..Hα-helixtrans-70.8-29.4-178.2-142.67.8000111.9I151 L152 R158 E159I151-N155 WeakPolarHBondContact O-CB 3.47Å; I151-N155 PolarHBondContact O-N 3.23Å; L152-N155 PolarHBondContact O-N 3.21Å; N155-R158 WeakPolarHBondContact O-CB 3.21Å; N155-R158 PolarHBondContact O-N 3.46Å; N155-E159 WeakPolarHBondContact O-CG 3.45Å; N155-E159 PolarHBondContact O-N 3.49Å
156R66.6Low68.6Low90 Ų9090.4 Ų90.434%0.3444%0.44SS..Hα-helixtrans-74.1-33.8173.5-169.1174.5-160.873.43.1112.2L152 H153 E154 R158 E159 T160L152-R156 WeakPolarHBondContact O-CA 3.44Å; L152-R156 WeakPolarHBondContact O-CB 3.37Å; L152-R156 PolarHBondContact O-N 2.83Å; H153-R156 PolarHBondContact O-N 3.03Å; E154-R156 VanDerWaalsContact C-N 3.3Å; E154-R156 PolarHBondContact O-N 2.85Å; R156-R158 VanDerWaalsContact C-N 3.33Å; R156-E159 PolarHBondContact O-N 2.86Å; R156-T160 PolarHBondContact O-N 2.8Å; R156-T160 PolarHBondContact O-OG1 2.87Å
157D56.3Low66.7Low71 Ų7190.5 Ų90.538%0.3844%0.442SS..Hα-helixtrans-64.9-39.3170.1-177.854.9000110.9H153 E154 T160 K161H153-D157 WeakPolarHBondContact O-CB 3.28Å; H153-D157 PolarHBondContact O-N 3.33Å; E154-D157 PolarHBondContact O-N 2.83Å; D157-T160 WeakPolarHBondContact CA-OG1 3.39Å; D157-T160 PolarHBondContact O-N 2.94Å; D157-T160 PolarHBondContact O-OG1 3.42Å; D157-K161 VanDerWaalsContact O-CB 3.3Å; D157-K161 WeakPolarHBondContact O-CB 3.5Å; D157-K161 WeakPolarHBondContact O-CG 3.28Å; D157-K161 PolarHBondContact O-N 2.81Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.91Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å
158R57.6Low65.2Low139 Ų13993.3 Ų93.353%0.52545%0.451SS..Hα-helixtrans-60.1-48.1168.8-63.6174.1-171.2-1393.5111.3E154 N155 R156 T160 K161 I162E154-R158 WeakPolarHBondContact O-CG 3.34Å; E154-R158 PolarHBondContact O-N 3.37Å; E154-R158 IonicContact OE1-CZ 2.67Å; E154-R158 IonicContact OE1-NE 3.43Å; E154-R158 PolarHBondContact OE1-NE 3.23Å; E154-R158 IonicContact OE1-NH2 3.46Å; E154-R158 PolarHBondContact OE1-NH2 2.73Å; N155-R158 WeakPolarHBondContact O-CB 3.21Å; N155-R158 PolarHBondContact O-N 3.46Å; R156-R158 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.24Å; R158-K161 PolarHBondContact O-N 3.41Å; R158-I162 WeakPolarHBondContact O-CD1 3.48Å; R158-I162 WeakPolarHBondContact O-CG1 3.04Å; R158-I162 PolarHBondContact O-N 3.37Å
159E53.5Low63.6Low102 Ų10299.4 Ų99.448%0.47747%0.474SS..Hα-helixtrans-61.9-40.7176.4-74.9-178.317600113.1N155 R156 I162 I163N155-E159 WeakPolarHBondContact O-CG 3.45Å; N155-E159 PolarHBondContact O-N 3.49Å; R156-E159 PolarHBondContact O-N 2.86Å; E159-I162 PolarHBondContact O-N 2.93Å; E159-I163 WeakPolarHBondContact O-CG1 3.41Å; E159-I163 PolarHBondContact O-N 3.44Å
160T50.9Low62.4Low74 Ų74100.1 Ų100.145%0.45448%0.483SS..Hα-helixtrans-71.1-34.5175.547.30000112.6R156 D157 R158 I163 H164R156-T160 PolarHBondContact O-N 2.8Å; R156-T160 PolarHBondContact O-OG1 2.87Å; D157-T160 WeakPolarHBondContact CA-OG1 3.39Å; D157-T160 PolarHBondContact O-N 2.94Å; D157-T160 PolarHBondContact O-OG1 3.42Å; R158-T160 PolarHBondContact O-N 3.24Å; T160-I163 PolarHBondContact O-N 3.39Å; T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.21Å; T160-H164 PolarHBondContact O-N 3.27Å
161K49.7Very low61.4Low122 Ų122100.6 Ų100.653%0.5348%0.48SS..Hα-helixtrans-61.9-44168-82.9168.1176.3154.50111.2D157 R158 I163 H164 M165D157-K161 VanDerWaalsContact O-CB 3.3Å; D157-K161 WeakPolarHBondContact O-CB 3.5Å; D157-K161 WeakPolarHBondContact O-CG 3.28Å; D157-K161 PolarHBondContact O-N 2.81Å; D157-K161 WeakPolarHBondContact OD2-CE 3.44Å; D157-K161 IonicContact OD2-NZ 3.91Å; D157-K161 PolarHBondContact OD2-NZ 2.92Å; R158-K161 PolarHBondContact O-N 3.41Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 2.87Å; K161-H164 PolarHBondContact O-N 2.96Å; K161-M165 WeakPolarHBondContact O-CB 3.35Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.43Å
162I52.3Low60.5Low108 Ų10899.3 Ų99.355%0.55448%0.476SS*.Hα-helixtrans-62.8-40.6177.9-66.9158000110.9R158 E159 R166R158-I162 WeakPolarHBondContact O-CD1 3.48Å; R158-I162 WeakPolarHBondContact O-CG1 3.04Å; R158-I162 PolarHBondContact O-N 3.37Å; E159-I162 PolarHBondContact O-N 2.93Å; I162-R166 WeakPolarHBondContact O-CB 3.42Å; I162-R166 PolarHBondContact O-N 3.42Å
163I55.8Low60.1Low118 Ų118102.8 Ų102.861%0.60549%0.494SS*.Hα-helixtrans-68.1-46.4175.6-66.4166.2000111.2E159 T160 K161 R166 D167E159-I163 WeakPolarHBondContact O-CG1 3.41Å; E159-I163 PolarHBondContact O-N 3.44Å; T160-I163 PolarHBondContact O-N 3.39Å; K161-I163 VanDerWaalsContact C-N 3.34Å; K161-I163 PolarHBondContact O-N 2.87Å; I163-R166 PolarHBondContact O-N 2.97Å; I163-D167 WeakPolarHBondContact O-CB 3.43Å; I163-D167 PolarHBondContact O-N 3.32Å
164H50.2Low59.9Low136 Ų136101.6 Ų101.663%0.6349%0.491SS*.Hα-helixtrans-64.7-42.5180-173.7-95.5000112.5T160 K161 D167 M168T160-H164 VanDerWaalsContact O-CB 3.23Å; T160-H164 WeakPolarHBondContact O-CB 3.21Å; T160-H164 PolarHBondContact O-N 3.27Å; K161-H164 PolarHBondContact O-N 2.96Å; H164-D167 PolarHBondContact O-N 2.84Å; H164-M168 WeakPolarHBondContact O-CB 3.44Å; H164-M168 PolarHBondContact O-N 2.91Å
165M57Low59.8Low89 Ų89101.7 Ų101.744%0.43849%0.494SS..Hα-helixtrans-64.1-43.2173.2-68.3-72.4-87.800110.8K161 D167 M168 Y169K161-M165 WeakPolarHBondContact O-CB 3.35Å; K161-M165 WeakPolarHBondContact O-CG 3.36Å; K161-M165 PolarHBondContact O-N 3.43Å; M165-D167 VanDerWaalsContact C-N 3.33Å; M165-D167 PolarHBondContact O-N 3.28Å; M165-M168 PolarHBondContact O-N 3.3Å; M165-Y169 HydrophobicContact CB-CD2 4.49Å; M165-Y169 HydrophobicContact CB-CE2 4.42Å; M165-Y169 HydrophobicContact CE-CE2 3.93Å; M165-Y169 WeakPolarHBondContact O-CD2 3.11Å; M165-Y169 PolarHBondContact O-N 3.48Å; M165-Y169 HydrophobicContact SD-CE2 4.46Å
166R60.1Low59.9Low190 Ų190104.6 Ų104.672%0.71751%0.505SS*.Hα-helixtrans-64.3-36.3177-171.4176.4-166.5142.94.3112.3I162 I163 S170I162-R166 WeakPolarHBondContact O-CB 3.42Å; I162-R166 PolarHBondContact O-N 3.42Å; I163-R166 PolarHBondContact O-N 2.97Å; R166-S170 WeakPolarHBondContact O-CA 3.38Å; R166-S170 WeakPolarHBondContact O-CB 3.18Å; R166-S170 PolarHBondContact O-N 2.79Å
167D54.1Low60.2Low104 Ų104107.3 Ų107.356%0.55652%0.515SS*.Hα-helixtrans-72.5-39.8176.8-157.126.3000111.3I163 H164 M165 S170 T171I163-D167 WeakPolarHBondContact O-CB 3.43Å; I163-D167 PolarHBondContact O-N 3.32Å; H164-D167 PolarHBondContact O-N 2.84Å; M165-D167 VanDerWaalsContact C-N 3.33Å; M165-D167 PolarHBondContact O-N 3.28Å; D167-S170 PolarHBondContact O-N 3.34Å; D167-T171 WeakPolarHBondContact O-CB 3.43Å; D167-T171 WeakPolarHBondContact O-CG2 3.09Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.02Å
168M58.2Low60.7Low107 Ų107108.1 Ų108.153%0.52752%0.519SS..Hα-helixtrans-60.4-49.7171.5-173.2-173.5-176.700112H164 M165 T171 V172H164-M168 WeakPolarHBondContact O-CB 3.44Å; H164-M168 PolarHBondContact O-N 2.91Å; M165-M168 PolarHBondContact O-N 3.3Å; M168-T171 PolarHBondContact O-OG1 2.93Å; M168-V172 WeakPolarHBondContact O-CG2 3.38Å; M168-V172 PolarHBondContact O-N 3.49Å; M168-V172 VanDerWaalsContact O-N 3.12Å
169Y56.8Low61.1Low134 Ų134109.1 Ų109.153%0.52552%0.523SS..Hα-helixtrans-71.6-33.7177.6-68-61.5000112.5M165 V172 I173M165-Y169 HydrophobicContact CB-CD2 4.49Å; M165-Y169 HydrophobicContact CB-CE2 4.42Å; M165-Y169 HydrophobicContact CE-CE2 3.93Å; M165-Y169 WeakPolarHBondContact O-CD2 3.11Å; M165-Y169 PolarHBondContact O-N 3.48Å; M165-Y169 HydrophobicContact SD-CE2 4.46Å; Y169-V172 PolarHBondContact O-N 3.45Å; Y169-I173 WeakPolarHBondContact O-CB 3.3Å; Y169-I173 WeakPolarHBondContact O-CD1 3.46Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.4Å
170S62Low61.8Low66 Ų66108.8 Ų108.846%0.46252%0.521SS..Hα-helixtrans-67.8-38.7176.4-168.80000112R166 D167 I173 D174R166-S170 WeakPolarHBondContact O-CA 3.38Å; R166-S170 WeakPolarHBondContact O-CB 3.18Å; R166-S170 PolarHBondContact O-N 2.79Å; D167-S170 PolarHBondContact O-N 3.34Å; S170-I173 PolarHBondContact O-N 2.86Å; S170-D174 VanDerWaalsContact O-CB 3.28Å; S170-D174 WeakPolarHBondContact O-CB 3.35Å; S170-D174 PolarHBondContact O-N 2.82Å
171T66.7Low62.6Low71 Ų71112.6 Ų112.644%0.43653%0.527SS..Hα-helixtrans-66.9-40.817448.30000111.5D167 M168 D174 I175D167-T171 WeakPolarHBondContact O-CB 3.43Å; D167-T171 WeakPolarHBondContact O-CG2 3.09Å; D167-T171 PolarHBondContact O-N 3.44Å; D167-T171 PolarHBondContact O-OG1 3.02Å; M168-T171 PolarHBondContact O-OG1 2.93Å; T171-D174 PolarHBondContact O-N 3.31Å; T171-I175 WeakPolarHBondContact O-CB 3.23Å; T171-I175 WeakPolarHBondContact O-CD1 3.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3Å
172V65.7Low63.3Low64 Ų64110.4 Ų110.439%0.38852%0.519SS..Hα-helixtrans-63.2-45.1173.3171.30000112M168 Y169 D174 I175 H176M168-V172 WeakPolarHBondContact O-CG2 3.38Å; M168-V172 PolarHBondContact O-N 3.49Å; M168-V172 VanDerWaalsContact O-N 3.12Å; Y169-V172 PolarHBondContact O-N 3.45Å; V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 3.04Å; V172-I175 PolarHBondContact O-N 3.33Å; V172-H176 PolarHBondContact O-CD2 2.67Å; V172-H176 PolarHBondContact O-N 3.12Å
173I68.9Low63.7Low92 Ų92111 Ų11147%0.47252%0.52SS..Hα-helixtrans-63.1-38.2176-70.4163.5000110.8Y169 S170 H176 R177Y169-I173 WeakPolarHBondContact O-CB 3.3Å; Y169-I173 WeakPolarHBondContact O-CD1 3.46Å; Y169-I173 WeakPolarHBondContact O-CG1 3.41Å; Y169-I173 PolarHBondContact O-N 3.4Å; S170-I173 PolarHBondContact O-N 2.86Å; I173-H176 PolarHBondContact O-N 3.47Å; I173-R177 WeakPolarHBondContact O-CB 3.36Å; I173-R177 VanDerWaalsContact O-CG 3.29Å; I173-R177 WeakPolarHBondContact O-CG 3.32Å; I173-R177 PolarHBondContact O-N 3.03Å
174D70.1Confident64.1Low84 Ų84113 Ų11345%0.44952%0.519SS..Hα-helixtrans-73.1-36.6178.2-154.940000111.9S170 T171 V172 R177 L178S170-D174 VanDerWaalsContact O-CB 3.28Å; S170-D174 WeakPolarHBondContact O-CB 3.35Å; S170-D174 PolarHBondContact O-N 2.82Å; T171-D174 PolarHBondContact O-N 3.31Å; V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 3.04Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 PolarHBondContact O-N 3.32Å; D174-L178 WeakPolarHBondContact O-CB 3.26Å; D174-L178 PolarHBondContact O-N 2.72Å
175I75.8Confident64.6Low103 Ų103112.5 Ų112.553%0.52852%0.517SS..Hα-helixtrans-61.2-44.2170.3-70.9160000111T171 V172 L178 R179T171-I175 WeakPolarHBondContact O-CB 3.23Å; T171-I175 WeakPolarHBondContact O-CD1 3.35Å; T171-I175 WeakPolarHBondContact O-CG1 3.32Å; T171-I175 PolarHBondContact O-N 3Å; V172-I175 PolarHBondContact O-N 3.33Å; I175-L178 WeakPolarHBondContact O-CB 3.22Å; I175-L178 PolarHBondContact O-N 3.47Å; I175-R179 WeakPolarHBondContact O-CB 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.47Å; I175-R179 PolarHBondContact O-N 3.35Å
176H70.2Confident64.6Low132 Ų132116.1 Ų116.161%0.61153%0.527SS*.Hα-helixtrans-64.5-39.1174.5-87.9-78.5000112.1V172 I173 Q180V172-H176 PolarHBondContact O-CD2 2.67Å; V172-H176 PolarHBondContact O-N 3.12Å; I173-H176 PolarHBondContact O-N 3.47Å; H176-Q180 VanDerWaalsContact O-CB 3.25Å; H176-Q180 WeakPolarHBondContact O-CB 3.29Å; H176-Q180 PolarHBondContact O-N 2.94Å
177R71.4Confident64.5Low147 Ų147113.6 Ų113.656%0.55552%0.524SS*.Hα-helixtrans-66.5-35.1172.8-76.8174.5171.8-173-1.8112.5I173 D174 R181I173-R177 WeakPolarHBondContact O-CB 3.36Å; I173-R177 VanDerWaalsContact O-CG 3.29Å; I173-R177 WeakPolarHBondContact O-CG 3.32Å; I173-R177 PolarHBondContact O-N 3.03Å; D174-R177 CarbonylContact O-C 3.6Å; D174-R177 PolarHBondContact O-N 3.32Å; R177-R181 WeakPolarHBondContact O-CB 3.34Å; R177-R181 WeakPolarHBondContact O-CG 3.44Å; R177-R181 PolarHBondContact O-N 2.94Å
178L67.9Low64.7Low89 Ų89115.2 Ų115.247%0.46653%0.527SS..Hα-helixtrans-66.1-53.8175.9-149.591.4000109.7D174 I175 Q180 R181 E182D174-L178 WeakPolarHBondContact O-CB 3.26Å; D174-L178 PolarHBondContact O-N 2.72Å; I175-L178 WeakPolarHBondContact O-CB 3.22Å; I175-L178 PolarHBondContact O-N 3.47Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.3Å; L178-R181 CarbonylContact O-C 3.58Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 WeakPolarHBondContact O-CB 3.45Å; L178-R181 PolarHBondContact O-N 3.38Å; L178-E182 WeakPolarHBondContact O-CG 3.4Å; L178-E182 PolarHBondContact O-N 3.12Å
179R66.1Low64.5Low159 Ų159116.2 Ų116.260%0.653%0.531SS*.Hα-helixtrans-58.4-38.6176.9-72.8-81.7-80.6-164.6-6.5112.4I175 Q183I175-R179 WeakPolarHBondContact O-CB 3.47Å; I175-R179 WeakPolarHBondContact O-CG 3.47Å; I175-R179 PolarHBondContact O-N 3.35Å; R179-Q183 WeakPolarHBondContact O-CB 3.48Å; R179-Q183 WeakPolarHBondContact O-CG 3.25Å; R179-Q183 PolarHBondContact O-N 3.06Å
180Q67.2Low64.4Low95 Ų95116 Ų11644%0.44453%0.534SS..Hα-helixtrans-70.9-35175.3-165.6-177.938.300112.3H176 L178 R184H176-Q180 VanDerWaalsContact O-CB 3.25Å; H176-Q180 WeakPolarHBondContact O-CB 3.29Å; H176-Q180 PolarHBondContact O-N 2.94Å; L178-Q180 VanDerWaalsContact C-N 3.29Å; L178-Q180 PolarHBondContact O-N 3.3Å; Q180-R184 VanDerWaalsContact NE2-NH2 3.15Å; Q180-R184 WeakPolarHBondContact O-CB 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.33Å; Q180-R184 PolarHBondContact O-N 2.88Å; Q180-R184 VanDerWaalsContact O-N 3.08Å
181R67.6Low63.8Low154 Ų154119.6 Ų119.658%0.58154%0.543SS*.Hα-helixtrans-68.1-42.8173-78.2169.5174.8171.2-1.9111.5R177 L178 R184 Q185R177-R181 WeakPolarHBondContact O-CB 3.34Å; R177-R181 WeakPolarHBondContact O-CG 3.44Å; R177-R181 PolarHBondContact O-N 2.94Å; L178-R181 CarbonylContact O-C 3.58Å; L178-R181 WeakPolarHBondContact O-CA 3.42Å; L178-R181 WeakPolarHBondContact O-CB 3.45Å; L178-R181 PolarHBondContact O-N 3.38Å; R181-R184 PolarHBondContact O-N 3.49Å; R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 3.02Å
182E64.7Low63Low77 Ų77125.1 Ų125.136%0.3656%0.556SS.*Hα-helixtrans-58.2-52.5173.6-72171.4168.300110.7L178 R184 Q185 Y186L178-E182 WeakPolarHBondContact O-CG 3.4Å; L178-E182 PolarHBondContact O-N 3.12Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3.31Å; E182-Q185 PolarHBondContact O-N 2.87Å; E182-Y186 VanDerWaalsContact O-CD2 3.26Å; E182-Y186 WeakPolarHBondContact O-CD2 3.39Å; E182-Y186 PolarHBondContact O-N 3.29Å
183Q62.2Low62.1Low120 Ų120126 Ų12656%0.56157%0.565SS**Hα-helixtrans-56.3-40.6176.2-77.3176.9-23.800112.8R179 Y186 H187R179-Q183 WeakPolarHBondContact O-CB 3.48Å; R179-Q183 WeakPolarHBondContact O-CG 3.25Å; R179-Q183 PolarHBondContact O-N 3.06Å; Q183-Y186 PolarHBondContact O-N 3.27Å; Q183-H187 PolarHBondContact O-CD2 3.02Å; Q183-H187 PolarHBondContact O-N 2.81Å
184R64.1Low61.3Low159 Ų159126.2 Ų126.260%0.658%0.575SS**Hα-helixtrans-66.7-37.5174.7-72.1173.2-170.3-161.87.1112.4Q180 R181 E182 H188Q180-R184 VanDerWaalsContact NE2-NH2 3.15Å; Q180-R184 WeakPolarHBondContact O-CB 3.16Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.33Å; Q180-R184 PolarHBondContact O-N 2.88Å; Q180-R184 VanDerWaalsContact O-N 3.08Å; R181-R184 PolarHBondContact O-N 3.49Å; E182-R184 VanDerWaalsContact C-N 3.29Å; E182-R184 PolarHBondContact O-N 3.31Å; R184-H188 WeakPolarHBondContact O-CB 3.08Å; R184-H188 PolarHBondContact O-N 2.95Å
185Q60Low60.2Low126 Ų126126.6 Ų126.659%0.58958%0.584SS**Hα-helixtrans-67.6-41.5175.5-76177.3-60.400112R181 E182 H188 H189R181-Q185 WeakPolarHBondContact O-CG 3.32Å; R181-Q185 PolarHBondContact O-N 3.02Å; E182-Q185 PolarHBondContact O-N 2.87Å; Q185-H188 PolarHBondContact O-N 3.3Å; Q185-H189 PolarHBondContact O-CD2 2.9Å; Q185-H189 PolarHBondContact O-N 2.88Å
186Y57.8Low58.8Low166 Ų166126.5 Ų126.565%0.65159%0.593SS**Hα-helixtrans-58.7-50.1172.6-83.2-75.7000111.5E182 Q183 H188 H189 H190E182-Y186 VanDerWaalsContact O-CD2 3.26Å; E182-Y186 WeakPolarHBondContact O-CD2 3.39Å; E182-Y186 PolarHBondContact O-N 3.29Å; Q183-Y186 PolarHBondContact O-N 3.27Å; Y186-H188 VanDerWaalsContact C-N 3.33Å; Y186-H188 PolarHBondContact O-N 2.91Å; Y186-H189 PolarHBondContact O-N 3.25Å; Y186-H190 PolarHBondContact O-CD2 3.08Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 3.48Å; Y186-H190 VanDerWaalsContact O-N 3.12Å
187H57.5Low57.6Low137 Ų137124.9 Ų124.963%0.63460%0.596SS**Hα-helixtrans-61.9-37.7176.7-83.6-65.2000113.3Q183 H190 H191Q183-H187 PolarHBondContact O-CD2 3.02Å; Q183-H187 PolarHBondContact O-N 2.81Å; H187-H190 PolarHBondContact O-N 2.93Å; H187-H191 PolarHBondContact O-N 2.93Å
188H57.4Low56Low137 Ų137124 Ų12463%0.63461%0.606SS**Hα-helixtrans-71.5-35.2179.9-157.658.4000112.5R184 Q185 Y186 R192R184-H188 WeakPolarHBondContact O-CB 3.08Å; R184-H188 PolarHBondContact O-N 2.95Å; Q185-H188 PolarHBondContact O-N 3.3Å; Y186-H188 VanDerWaalsContact C-N 3.33Å; Y186-H188 PolarHBondContact O-N 2.91Å; H188-R192 WeakPolarHBondContact O-CB 3.2Å; H188-R192 PolarHBondContact O-N 3.35Å
189H55.1Low54.5Low129 Ų129126.1 Ų126.160%0.59763%0.628SS**Hα-helixtrans-65.1-42.1171.9-91.1-81000112.2Q185 Y186 R192 S193Q185-H189 PolarHBondContact O-CD2 2.9Å; Q185-H189 PolarHBondContact O-N 2.88Å; Y186-H189 PolarHBondContact O-N 3.25Å; H189-R192 PolarHBondContact O-N 2.84Å; H189-S193 PolarHBondContact O-N 3.32Å; H189-S193 VanDerWaalsContact O-N 3.12Å; H189-S193 PolarHBondContact O-OG 3.34Å
190H53.2Low52.9Low129 Ų129124.7 Ų124.760%0.59764%0.636SS**Hα-helixtrans-64-43.4175.5-81-74.7000112.8Y186 H187 R192 S193 S194Y186-H190 PolarHBondContact O-CD2 3.08Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 3.48Å; Y186-H190 VanDerWaalsContact O-N 3.12Å; H187-H190 PolarHBondContact O-N 2.93Å; H190-R192 PolarHBondContact O-N 3.44Å; H190-S193 PolarHBondContact O-N 2.84Å; H190-S194 PolarHBondContact O-N 3.42Å; H190-S194 PolarHBondContact O-OG 3.12Å
191H51.2Low51.6Low141 Ų141130.9 Ų130.965%0.65366%0.656SS**Hα-helixtrans-69.8-30.6179-106.9-76.4000114H187 S195H187-H191 PolarHBondContact O-N 2.93Å; H191-S195 PolarHBondContact O-N 2.89Å; H191-S195 PolarHBondContact O-OG 2.66Å
192R49.1Very low49.8Very low187 Ų187131 Ų13171%0.70667%0.668SS**Hα-helixtrans-74.3-28175.2-167.3173.4179.6-156.7-2.6112.6H188 H189 H190H188-R192 WeakPolarHBondContact O-CB 3.2Å; H188-R192 PolarHBondContact O-N 3.35Å; H189-R192 PolarHBondContact O-N 2.84Å; H190-R192 PolarHBondContact O-N 3.44Å
193S47.7Very low48.6Very low84 Ų84133.6 Ų133.659%0.58769%0.689SS**Hα-helixtrans-73.8-39.1173.7-60.30000112.8H189 H190 S195H189-S193 PolarHBondContact O-N 3.32Å; H189-S193 VanDerWaalsContact O-N 3.12Å; H189-S193 PolarHBondContact O-OG 3.34Å; H190-S193 PolarHBondContact O-N 2.84Å; S193-S195 PolarHBondContact O-N 3.46Å
194S50.5Low47.2Very low96 Ų96131.5 Ų131.567%0.67170%0.699SS**Hα-helixtrans-81.2-7.4-178.1-56.90000115.3H190H190-S194 PolarHBondContact O-N 3.42Å; H190-S194 PolarHBondContact O-OG 3.12Å
195S47.4Very low45.8Very low92 Ų92131.3 Ų131.364%0.64371%0.71SS**THydrogen-bonded Turntrans-101.52.8177.445.10000113.6H191 S193H191-S195 PolarHBondContact O-N 2.89Å; H191-S195 PolarHBondContact O-OG 2.66Å; S193-S195 PolarHBondContact O-N 3.46Å
196S45.8Very low44.6Very low101 Ų101132 Ų13271%0.70672%0.717SS**SBendtrans-94.67.8-175.9-169.30000114.6
197S46.2Very low43.4Very low97 Ų97135 Ų13568%0.67873%0.727SS**  trans-129.336.1-168.273.20000115.9
198V38.3Very low42Very low128 Ų128133.8 Ų133.878%0.77673%0.734SS**  trans-13888.7157.8-172.20000109.8
199C35.6Very low40.6Very low135 Ų135136.9 Ų136.991%0.91275%0.746SS**  trans-101.9103.2156.8-74.70000107.8
200V32.7Very low39.5Very low129 Ų129133.8 Ų133.878%0.78275%0.749SS**  trans-124101.6161.1-179.30000108.1
201R40.4Very low38.5Very low225 Ų225132 Ų13285%0.84976%0.756SS**  trans-9122.4154.2-175.6-179.581.3171.69.2115.3
202D29.8Very low37.7Very low156 Ų156132.1 Ų132.183%0.83476%0.762SS**  trans-140.5152.3135.6-153.98.3000111.8
203V38.1Very low37.4Very low132 Ų132129.1 Ų129.180%0.876%0.764SS**  trans-126.9109.8-177168.70000106.9
204G34.4Very low36.8Very low75 Ų75130.5 Ų130.577%0.77378%0.781SS**  trans-163.995.3-171.800000113.9
205D33.4Very low36Very low156 Ų156129.8 Ų129.883%0.83478%0.781SS**  trans-16.1155.1168.9-88-46.4000124
206L35.6Very low35.4Very low140 Ų140137 Ų13773%0.73379%0.794SS**  trans85.7109.9144.1-12370.5000122.7
207R32.3Very low34.8Very low229 Ų229141 Ų14186%0.86481%0.807SS**  trans42.9120.2138.3-65.9174.9-172.1-130.62.7120
208S28Very low34.1Very low111 Ų111140.6 Ų140.678%0.77681%0.809SS**  -168.3150.3120.6-165.90000112.1
209F28.6Very low33.7Very low202 Ų202139.6 Ų139.689%0.88681%0.808SS**  trans-25.2150.8168.7-63.5-103.2000117.2
210G30.4Very low33.7Very low64 Ų64140.7 Ų140.766%0.6681%0.805SS**  cis126.2121.210.800000110.9
211A32.1Very low33.6Very low92 Ų92140 Ų14076%0.7681%0.805SS**  trans59.3137.3-178.700000115
212D35.1Very low33.4Very low143 Ų143137.1 Ų137.177%0.76581%0.806SS**  -171.4152.865.2-108.1-35.8000114.3
213T43.4Very low33.5Very low124 Ų124137.8 Ų137.876%0.76181%0.809SS**  trans63.269.1152.261.90000120.7A215T213-A215 PolarHBondContact O-N 3.03Å
214A33.9Very low32.9Very low114 Ų114134.4 Ų134.494%0.94280%0.801SS**  trans-76.594.2150.200000110.7
215A34.2Very low32.6Very low81 Ų81140.3 Ų140.367%0.66981%0.805SS**  trans-152.7155.5171.400000112.6T213T213-A215 PolarHBondContact O-N 3.03Å
216R34.8Very low32.4Very low242 Ų242138.5 Ų138.591%0.91381%0.805SS**  trans80.374.7171.3-51-179.7179.6-155.2-1.5117.7
217L33.5Very low32Very low187 Ų187137.1 Ų137.198%0.97981%0.807SS**  trans-146.169.3139.9-111171.9000110.7
218A30.6Very low31.9Very low87 Ų87137.6 Ų137.672%0.71981%0.809SS**  trans-146.7141.3171.100000110.6
219S31.2Very low31.9Very low107 Ų107137.7 Ų137.775%0.74881%0.809SS**  trans63.2128.1177.769.10000118
220N35.8Very low31.9Very low159 Ų159131.5 Ų131.585%0.8580%0.803SS**  -159132.4109.5-95.9-27000111.3
221S31Very low31.7Very low113 Ų113134.1 Ų134.179%0.7981%0.811SS**  trans-143.1125165.6-81.50000108.5
222L35.2Very low31.4Very low166 Ų166141 Ų14187%0.86982%0.817SS**  trans69.5156166.1-72.8166.7000119.9
223L31.4Very low31.2Very low170 Ų170140.6 Ų140.689%0.8982%0.819SS**  trans72.2143.2-179.9-50.3170.9000114.5
224G26.4Very low30.5Very low61 Ų61138.1 Ų138.163%0.62982%0.819SS**  cis165.6147.6-7.500000112
225F28.6Very low30.1Very low199 Ų199137.6 Ų137.687%0.87381%0.808SS**  trans69.2103.9163-55.1-75.9000122.1
226S28.5Very low29.9Very low117 Ų117138.7 Ų138.782%0.81881%0.807SS**  59.3162.3108.8-146.60000123.8
227S27.4Very low29.7Very low112 Ų112134 Ų13478%0.78380%0.795SS**  trans87.8141.4173.880.50000117
228R30.9Very low29.5Very low238 Ų238133.2 Ų133.290%0.89879%0.787SS**  cis-170.2151.2-8.2151.9176.2175.8169.1-2.1113.4
229S28.3Very low29.6Very low113 Ų113136.6 Ų136.679%0.7979%0.788SS**  trans74.8128.3148.1-173.50000124.6
230G27.1Very low29.6Very low73 Ų73138.9 Ų138.975%0.75379%0.786SS**  trans175.2133.5139.200000108.9
231S26.9Very low29.2Very low118 Ų118136.8 Ų136.883%0.82578%0.779SS**  cis-162.4-179.1-0.3-171.20000110.2
232R26.5Very low29Very low236 Ų236139 Ų13989%0.89178%0.781SS**  trans87.5141.2164.8-149.5177.9-158.4170.55.9117.8
233V30.2Very low28.5Very low135 Ų135139.6 Ų139.682%0.81878%0.784SS**  cis-173.6148.7-45.4131.20000108.2
234G27.6Very low28.3Very low72 Ų72134.5 Ų134.574%0.74277%0.773SS**  trans97.7144.8173.600000113.6
235S25.9Very low28.5Very low103 Ų103139.1 Ų139.172%0.7278%0.783SS**  cis-159.5144.1-0.3-1570000109.2
236T31Very low28.6Very low105 Ų105138.1 Ų138.164%0.64478%0.781SS**  trans32141.7136.163.20000120.4
237E29.4Very low28.7Very low143 Ų143141.1 Ų141.167%0.66878%0.782SS**  cis-179.5156.2-7.4-114.4157.3-58.800105.6
238E30.4Very low28.5Very low171 Ų171144 Ų14480%0.79978%0.781SS**  trans44.1161.5162.362.4-130.8149.700121.4
239E33.1Very low28.4Very low158 Ų158141.7 Ų141.774%0.73878%0.778SS**  cis-156.7174.617.2-144.8-162.1166.800111.7
240E30.3Very low28.5Very low154 Ų154141.6 Ų141.672%0.7278%0.784SS**  trans27.4117.9156.9-72-155.2152.300122.8
241V26.6Very low28.5Very low116 Ų116140.8 Ų140.870%0.70378%0.776SS**  90.2106.672.5167.50000114.5
242L26.3Very low28.7Very low159 Ų159143.2 Ų143.283%0.83278%0.779SS**  trans32.7117.3148.9-75.2154.9000120.5
243L26.6Very low28.8Very low179 Ų179139.9 Ų139.994%0.93778%0.778SS**  -176.1142.7112.1-98.1166.9000111.3
244G26.5Very low28.9Very low63 Ų63137.3 Ų137.365%0.64977%0.77SS**  trans108.395.2157.400000118.3
245D30.1Very low29.7Very low158 Ų158140 Ų14085%0.84578%0.775SS**  trans62.3169144.9-58.7-21.8000122.1
246E31.7Very low29.9Very low178 Ų178143.6 Ų143.683%0.83279%0.785SS**  trans7576.3176.2-53.6-57.9123.900119.1
247E29.4Very low29.8Very low180 Ų180148.2 Ų148.284%0.84179%0.792SS**  trans-165.7109.7143.8-122.3179.7-148.800114.4
248F24.6Very low30Very low173 Ų173148.1 Ų148.176%0.75979%0.789SS**  173.7144.8122.7-112.3-137.2000114.9
249F27.9Very low29.8Very low188 Ų188145.8 Ų145.883%0.82578%0.783SS**  trans63.192.1163.1-90.6-106.8000119.9
250A29.7Very low29.5Very low111 Ų111141.5 Ų141.592%0.91778%0.78SS**  trans-102.6113.9145.400000109.6
251G27.4Very low30.1Very low57 Ų57139.9 Ų139.959%0.58878%0.783SS**  trans-106.2-173.4169.300000112.3
252L30.5Very low30.1Very low169 Ų169142.8 Ų142.889%0.88579%0.787SS**  trans76.4131.1173.1-48.3176.7000113.8
253L29.5Very low30.4Very low166 Ų166146 Ų14687%0.86979%0.79SS**  cis-145156.314.4-91.9117.1000112.7
254A33.2Very low30.5Very low80 Ų80141.3 Ų141.366%0.66178%0.784SS**  trans-88.4168.3154.200000110.2
255P43Very low30.7Very low130 Ų130143.5 Ų143.584%0.84480%0.796SS**  -148.4139.993.435.5-18.3000115.9
256L30.2Very low30.5Very low177 Ų177139.4 Ų139.493%0.92779%0.791SS**  trans-124.1139.9148.1-158.884.1000107.7
257Y30.1Very low30.5Very low203 Ų203139.8 Ų139.880%0.79680%0.798SS**  trans-85.7130.8-163.9-169.5-95.6000112.9
258K32.8Very low30.4Very low140 Ų140134.3 Ų134.361%0.60979%0.79SS**  trans18.3145.7141.9-85.1177.1139.5-83.10119.7
259D25.4Very low30.7Very low123 Ų123134 Ų13466%0.65880%0.796SS**  cis-152.7163.620.2-99.8-48.2000111.6
260G28.1Very low30.7Very low67 Ų67129.6 Ų129.669%0.69179%0.788SS**  trans-98.8-158.5167.600000112.9
261P41.8Very low30.5Very low121 Ų121132.4 Ų132.479%0.78678%0.782SS**  cis-143.8173.610.243.6-24.7000118.2
262F27.5Very low30.7Very low177 Ų177134 Ų13478%0.77679%0.785SS**  trans24.7124.7147.3-92.3-107.4000123.5
263Y32.9Very low30.6Very low226 Ų226133 Ų13389%0.88678%0.78SS**  167.2149.2105.5-97.8-73.7000111
264G28.5Very low30.7Very low80 Ų80129.7 Ų129.783%0.82577%0.771SS**  trans144.2118.6164.400000115.8
265A29.6Very low30.4Very low109 Ų109133.9 Ų133.990%0.90178%0.779SS**  trans-93.8171.4178.600000113
266G27.1Very low29.8Very low72 Ų72138.1 Ų138.174%0.74278%0.778SS**  trans-87.4176.8-17100000116.8
267L31.5Very low29.8Very low186 Ų186138 Ų13897%0.97477%0.772SS**  trans169.9147.6167.4-93.4156.2000105
268G27.8Very low29.6Very low66 Ų66136 Ų13668%0.6877%0.77SS**  cis-178.6124.1-1000000105.2
269L30.8Very low29.2Very low166 Ų166140.5 Ų140.587%0.86978%0.784SS**  69.4125.190.6-131.4155.8000115.9
270S27.1Very low29.4Very low96 Ų96138.4 Ų138.467%0.67178%0.779SS**  trans69.6157.5167.9-77.90000120.2
271Q26.6Very low29.6Very low169 Ų169141.1 Ų141.179%0.7978%0.781SS**  cis-169.6166.5-27.7-174.1159.1-1.200109.7
272S30.8Very low29.1Very low92 Ų92142.9 Ų142.964%0.64379%0.785SS**  trans-36.9174.4170.2-30.30000118.1
273D29Very low29.3Very low146 Ų146137.9 Ų137.978%0.78178%0.782SS**  cis-170.3-178.318.5-139.5-40.7000113.1
274S30Very low29.2Very low97 Ų97135.5 Ų135.568%0.67879%0.785SS**  trans71.8156.1150.8-98.40000120.9
275M28.3Very low29.3Very low169 Ų169134.6 Ų134.683%0.83378%0.776SS**  cis-153.6-168.3-4.9-141.8-178.2171.300113.2
276R30.3Very low29.4Very low218 Ų218136.6 Ų136.682%0.82377%0.767SS**  trans-94.6172.8-167.6-55.2171.4175.9-131.10.1115.1
277H29.7Very low29.7Very low175 Ų175141.6 Ų141.681%0.8177%0.768SS**  -177.1-172128.7-92.1-61.4000109.9
278Q26.8Very low29.6Very low160 Ų160136.3 Ų136.375%0.74876%0.759SS**  -171.1129.3-78.3169.9176.6-19.700112.5
279W23.8Very low29.8Very low235 Ų235136.7 Ų136.789%0.8976%0.763SS**  trans-163.8154.9158175-96.9000112.8
280S29.7Very low30Very low79 Ų79137.8 Ų137.855%0.55276%0.763SS**  trans-162.1156.7-17549.40000110.3
281V32.5Very low30.3Very low124 Ų124142.6 Ų142.675%0.75277%0.774SS**  trans159.8156.6145.7156.50000113.7
282D31.2Very low30.5Very low159 Ų159139.6 Ų139.685%0.8578%0.778SS**  trans-70.4-179.9-153.7-57.3-82.2000124.3
283G32.3Very low30.7Very low71 Ų71138.4 Ų138.473%0.73278%0.78SS**  trans142.189.2162.800000112.6
284D29.2Very low31.1Very low176 Ų176136.9 Ų136.994%0.94178%0.781SS**  62.3139.782.8-16330.4000117.1
285G30.3Very low31.6Very low61 Ų61140 Ų14063%0.62979%0.788SS**  trans133.179.2166.600000120.4
286E32.3Very low31.9Very low152 Ų152137.2 Ų137.271%0.7178%0.781SS**  trans50.2130.4141.4-69.8-100.788.100125.2
287K33.5Very low32Very low176 Ų176132.1 Ų132.177%0.76578%0.778SS**  trans37.4132.8140.9-65-173.2-172.4800123.2
288G29.5Very low32.4Very low76 Ų76129.4 Ų129.478%0.78478%0.779SS**  trans177.855157.900000115.8
289G32.9Very low33.1Very low74 Ų74127.2 Ų127.276%0.76378%0.781SS**  trans-88120.2-178.600000113.8
290H33.8Very low33.9Very low188 Ų188123.7 Ų123.787%0.8778%0.778SS**  trans-137.2114.5166.5-76.4-90.4000111.6
291H34.5Very low34.3Very low198 Ų198125.1 Ų125.192%0.91779%0.788SS**  trans-80.8136161.9-67.8-93.4000109.7
292A30.3Very low34.6Very low106 Ų106122.2 Ų122.288%0.87678%0.778SS**  trans-172.8150.7148.300000112.3
293G35.1Very low35Very low66 Ų66124.2 Ų124.268%0.6878%0.779SS**  trans93.867.2141.300000118.5I295G293-I295 PolarHBondContact O-N 3.02Å
294S36.6Very low35.5Very low114 Ų114126.6 Ų126.680%0.79778%0.779SS**  trans-61.3126.7149.2173.20000109.5
295I41.4Very low36.3Very low162 Ų162125.4 Ų125.483%0.83177%0.772SS**  trans-125.3129.8164.5-52.5-179.2000108.4G293G293-I295 PolarHBondContact O-N 3.02Å
296V33.6Very low36.8Very low112 Ų112128 Ų12868%0.67978%0.778SS**  trans-89.4151.8-174.4167.90000111.5
297S32.8Very low37.1Very low110 Ų110127.3 Ų127.377%0.76978%0.784SS**  trans63.2113.1165.5-750000117.3
298S38.9Very low38Very low119 Ų119125.5 Ų125.583%0.83278%0.781SS**  -168.4157.665.141.50000109.1
299S40.9Very low39Very low113 Ų113130.7 Ų130.779%0.7978%0.782SS**  cis-145.7142.525.348.30000112.6
300I41.2Very low40.3Very low161 Ų161134.1 Ų134.183%0.82678%0.782SS**  trans-78.1125169.3-99.1167.2000109.1A302I300-A302 HydrophobicContact CG2-CB 3.87Å; I300-A302 PolarHBondContact O-N 3.43Å
301S38.7Very low41Very low109 Ų109131.7 Ų131.776%0.76278%0.776SS**  trans-89.981.8170.8-173.70000109.2F303S301-F303 PolarHBondContact O-N 3.46Å
302A38.8Very low41.7Very low64 Ų64130.5 Ų130.553%0.52978%0.776SS.*  trans-81.8106.8177.400000110.6I300 T304I300-A302 HydrophobicContact CG2-CB 3.87Å; I300-A302 PolarHBondContact O-N 3.43Å; A302-T304 HydrophobicContact CB-CG2 4.3Å; A302-T304 PolarHBondContact O-N 3.18Å
303F38.3Very low42.3Very low201 Ų201130.5 Ų130.588%0.88277%0.769SS**  trans-78.669.1160.2-88.7-81.4000109.7S301 L305S301-F303 PolarHBondContact O-N 3.46Å; F303-L305 PolarHBondContact O-N 3.38Å
304T44.3Very low42.5Very low120 Ų120133.2 Ų133.274%0.73677%0.772SS**  trans-73.7111.1164.647.80000108.7A302A302-T304 HydrophobicContact CB-CG2 4.3Å; A302-T304 PolarHBondContact O-N 3.18Å
305L44.7Very low42.6Very low151 Ų151135.4 Ų135.479%0.79177%0.773SS**  trans-58143.2160.5-65.7173.1000108.7F303 V307F303-L305 PolarHBondContact O-N 3.38Å; L305-V307 PolarHBondContact O-N 3.44Å
306P40.2Very low42.4Very low116 Ų116134 Ų13475%0.75377%0.767SS**  trans-64.1111.8179.225.4-32.9000109.9I308P306-I308 PolarHBondContact O-N 3.06Å
307V40.5Very low42.8Very low137 Ų137136.8 Ų136.883%0.8377%0.773SS**  trans-68.1101.9173.4178.90000108.1L305 K309L305-V307 PolarHBondContact O-N 3.44Å; V307-K309 PolarHBondContact O-N 3.34Å
308I50.6Low43.3Very low139 Ų139137.7 Ų137.771%0.71378%0.776SS**  trans-68.1106.1170-61.7175.4000106.9P306 L310P306-I308 PolarHBondContact O-N 3.06Å; I308-L310 HydrophobicContact CG2-CD2 4Å; I308-L310 HydrophobicContact CG2-CG 4.41Å; I308-L310 PolarHBondContact O-N 3.07Å
309K51.8Low43Very low184 Ų184139.8 Ų139.880%0.877%0.773SS**  trans-72.990.9176.2-174.6174.8-178.91750109.3V307V307-K309 PolarHBondContact O-N 3.34Å
310L59.1Low42.9Very low146 Ų146143.4 Ų143.476%0.76478%0.779SS**  trans-70.5135.2167.1-62.3179.9000109.1I308I308-L310 HydrophobicContact CG2-CD2 4Å; I308-L310 HydrophobicContact CG2-CG 4.41Å; I308-L310 PolarHBondContact O-N 3.07Å
311N49.4Very low42.7Very low138 Ų138144.2 Ų144.274%0.73878%0.78SS**  trans-72.1131.9176-72.5-41.5000109.8C313N311-C313 PolarHBondContact O-N 2.99Å; N311-C313 VanDerWaalsContact O-N 3.13Å
312N47.9Very low42.6Very low173 Ų173143.6 Ų143.693%0.92578%0.781SS**SBendtrans17.978.2163.7-79-7.9000116.3
313C43.9Very low42.6Very low106 Ų106148.3 Ų148.372%0.71680%0.796SS**  trans-122.2124156.2-640000107.7N311 I315N311-C313 PolarHBondContact O-N 2.99Å; N311-C313 VanDerWaalsContact O-N 3.13Å; C313-I315 PolarHBondContact O-N 3.16Å
314V38.4Very low42.4Very low123 Ų123144.8 Ų144.875%0.74579%0.79SS**  trans-58.4131.4165169.30000107.2
315I39.3Very low42Very low160 Ų160143.6 Ų143.682%0.82179%0.793SS**  trans-99.193.5171.9-58.9175.8000105.7C313C313-I315 PolarHBondContact O-N 3.16Å
316D37.7Very low41.5Very low133 Ų133141.8 Ų141.871%0.71179%0.79SS**  trans-70.3153.5163.1-65.9-45.7000109.4
317E41.8Very low41.2Very low170 Ų170145.1 Ų145.179%0.79480%0.8SS**  trans-67.1143.8-172.2-61.8-173.8116.100112.7E319E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 3.16Å; E317-E319 VanDerWaalsContact O-N 3.1Å
318P43.7Very low40.7Very low128 Ų128143.8 Ų143.883%0.83180%0.797SS**  trans-78.587.816131.9-30.8000109.4M320P318-M320 PolarHBondContact O-N 3.48Å
319E31.4Very low39.6Very low164 Ų164142 Ų14277%0.76680%0.797SS**  trans-57.9131.7168.9-60.5-175.7-116.600110.4E317 E321E317-E319 VanDerWaalsContact C-N 3.34Å; E317-E319 PolarHBondContact O-N 3.16Å; E317-E319 VanDerWaalsContact O-N 3.1Å; E319-E321 PolarHBondContact O-N 3.44Å; E319-E321 VanDerWaalsContact O-N 3.16Å
320M39.7Very low38.9Very low188 Ų188141 Ų14193%0.92680%0.797SS**  trans-87.980.9-176.9-178.1170.856.400110.4P318 A322P318-M320 PolarHBondContact O-N 3.48Å; M320-A322 PolarHBondContact O-N 3.48Å
321E36.7Very low37.5Very low179 Ų179142 Ų14284%0.83680%0.798SS**PPolyproline II helixtrans-72.1128.8177-70.2-154.1155.900112.8E319E319-E321 PolarHBondContact O-N 3.44Å; E319-E321 VanDerWaalsContact O-N 3.16Å
322A35.6Very low36.5Very low95 Ų95139.4 Ų139.479%0.78579%0.791SS**PPolyproline II helixtrans-85.6155.6178.100000112.2M320 T324M320-A322 PolarHBondContact O-N 3.48Å; A322-T324 PolarHBondContact O-N 2.68Å
323I40.5Very low35.7Very low164 Ų164139.6 Ų139.684%0.84179%0.791SS**PPolyproline II helixtrans-50.9129.9177.5-57.2152.6000112
324T33Very low35Very low126 Ų126140.2 Ų140.277%0.77379%0.791SS**  trans-151.4123.2145.7-66.90000110.7A322A322-T324 PolarHBondContact O-N 2.68Å
325A35.9Very low34.7Very low95 Ų95139.9 Ų139.979%0.78579%0.789SS**  trans-102.4132.3163.200000109
326P33.9Very low35Very low113 Ų113138.1 Ų138.173%0.73479%0.788SS**  trans-115.7141.1164.734.9-25.2000112.7
327L35.3Very low34.6Very low186 Ų186137.7 Ų137.797%0.97479%0.79SS**  trans-83.4132.6164.3-73.1162.9000109.7
328S29.6Very low34Very low109 Ų109134.6 Ų134.676%0.76279%0.794SS**  trans-160.1117.5165.4173.40000105.7
329S27.6Very low33.4Very low102 Ų102133.7 Ų133.771%0.71379%0.79SS**  cis79.885.534.2-163.70000115.4
330M36.2Very low33.5Very low163 Ų163133 Ų13380%0.80380%0.797SS**  trans54.4123.9150.9-53.6-110.170.900118.6
331E30Very low33.1Very low167 Ų167128.1 Ų128.178%0.7879%0.786SS**  168.9142.4100.8-171.275.2161.900111.3
332S28.3Very low32.8Very low83 Ų83129 Ų12958%0.5879%0.787SS**  trans2.6130.3158-167.50000121.5
333L31.6Very low32.6Very low178 Ų178129.3 Ų129.393%0.93279%0.79SS**  -142.2142.6126-89.5-176.9000110.1
334V28.8Very low32.3Very low119 Ų119127.3 Ų127.372%0.72179%0.79SS**  trans-146.6159.4-166.481.10000111.4
335V32.5Very low32.5Very low116 Ų116130.6 Ų130.670%0.70379%0.794SS**  trans71.2156.3168.7168.60000113.8V337V335-V337 HydrophobicContact CG1-CG2 4.23Å
336P44.8Very low33.6Very low122 Ų122131 Ų13179%0.79279%0.788SS**  cis-118.2-167.64.411.915.2000114.7
337V29.1Very low34.1Very low124 Ų124131.8 Ų131.875%0.75279%0.794SS**  cis-170.6139-43.41430000107.7V335V335-V337 HydrophobicContact CG1-CG2 4.23Å
338A30.6Very low33.9Very low106 Ų106126 Ų12688%0.87678%0.778SS**  trans-153.5142.1154.400000110.4
339S30.2Very low34.1Very low108 Ų108128.7 Ų128.776%0.75578%0.784SS**  trans-133.2162.4-170.561.10000112.5
340V33.5Very low34.1Very low150 Ų150132 Ų13291%0.90979%0.788SS**  trans-172.3154.4142.5139.50000110.4
341A32Very low34Very low85 Ų85135.9 Ų135.970%0.70279%0.794SS**  trans-79.1-176.9-170.800000114
342K30.5Very low34Very low198 Ų198131.6 Ų131.686%0.86178%0.782SS**  cis-172.3152.628.9-156.8175-173.2176.20112.7
343A30Very low34.2Very low101 Ų101134.7 Ų134.784%0.83579%0.792SS**  trans63.9148.5160.800000119
344S34.7Very low34.2Very low122 Ų122131.2 Ų131.285%0.85378%0.783SS**  cis-139.8-171.82.1590000112.1
345K36.8Very low34.3Very low195 Ų195129.9 Ų129.985%0.84878%0.784SS**  trans-126.5-174.1-159.6-131.3-166175.2174.70114.1
346P58.7Low34.3Very low103 Ų103129.4 Ų129.467%0.66979%0.786SS**  -117.7-165.2-126.644.4-24.4000113.6
347P46.1Very low33.5Very low131 Ų131128.6 Ų128.685%0.85178%0.783SS**  -142.4-176.778.130.3-8000113
348G31.4Very low33.6Very low63 Ų63127.6 Ų127.665%0.64978%0.782SS**  cis152.9144.1-6.300000112.1
349L32.2Very low33.7Very low167 Ų167127.5 Ų127.587%0.87478%0.775SS**  trans63.5124175.3-67.8113.8000117.2
350Q28.2Very low33.8Very low172 Ų172133.6 Ų133.680%0.80478%0.781SS**  57.111456.8-74.5-155.6-4.900116.2
351R33.7Very low33.5Very low243 Ų243132.3 Ų132.392%0.91778%0.777SS**  -155.8142.1119-144.2167.4-172-94.13.6112.5
352S31.3Very low33.5Very low77 Ų77133.3 Ų133.354%0.53878%0.78SS.*  trans-107.3178.5-177.3-450000111.7
353N32.2Very low33.7Very low149 Ų149129.1 Ų129.180%0.79778%0.775SS**  trans78.3151.3159.9-53-7.7000116.8
354S31.6Very low33.8Very low104 Ų104133.3 Ų133.373%0.72778%0.775SS**  cis-171.4151.1-21.9-93.50000109.9
355A31.2Very low33.7Very low92 Ų92131.2 Ų131.276%0.7676%0.76SS**  trans63.5129.614200000123.3
356S30.6Very low33.5Very low106 Ų106126.5 Ų126.574%0.74175%0.752SS**  trans82.599.9133.9-60.50000123
357S29.4Very low32.2Very low105 Ų105127.6 Ų127.673%0.73476%0.761SS**  30128.5120.261.50000119.9
358S31.5Very low31.4Very low102 Ų102125.8 Ų125.871%0.71375%0.751SS**  172161.168.352.30000114
359S32.9Very low31.4Very low105 Ų105130.7 Ų130.773%0.73476%0.761SS**  trans66.3136.4162.776.10000117.7
360R31.1Very low31.3Very low235 Ų235127.8 Ų127.889%0.88776%0.755SS**  -163160.766.4-80.8171.2168.7-177.7-7112.7
361C27.3Very low32.5Very low123 Ų123125.6 Ų125.683%0.83176%0.756SS**  trans-70177.1164.8-39.80000110.5
362S32.7Very low32.4Very low107 Ų107118.3 Ų118.375%0.74875%0.747SS**  cis-173.8152.116.137.30000109.8
363S34.8Very low33.3Very low110 Ų110120 Ų12077%0.76976%0.756SS**  trans171.7127.9145.4-78.90000108.3
364F31.3Very low33.3Very low189 Ų189118 Ų11883%0.82975%0.754SS**  51.4131.183.9174.7-76.4000112.1
365S33.3Very low33.5Very low78 Ų78118.1 Ų118.155%0.54576%0.755SS.*  cis-177178.8-8.8-1010000107.8
366S32.1Very low33.7Very low95 Ų95119.5 Ų119.566%0.66475%0.754SS**  cis-179.4160.2-32.2-81.30000106.9
367C30.7Very low34Very low127 Ų127119.5 Ų119.586%0.85875%0.754SS**  trans66.1158.7175.6-640000115.3
368S29.8Very low34.1Very low92 Ų92117.8 Ų117.864%0.64375%0.753SS**  cis-174.8155.9-18.952.10000111.1
369L32.3Very low34.3Very low166 Ų166118.1 Ų118.187%0.86975%0.754SS**  trans78.2147.5150.4-69.2157.1000121.5
370S29.6Very low34.3Very low106 Ų106123 Ų12374%0.74176%0.757SS**  trans-80.7-160.7-175.5-31.10000112.5
371P52.7Low34.5Very low127 Ų127119 Ų11983%0.82575%0.752SS**  cis-139-162.93.636.5-11.8000116.6
372A32Very low35.3Very low89 Ų89118.8 Ų118.874%0.73675%0.752SS**  trans-70.2-162.6-177.500000114.5
373P51.4Low35.9Very low112 Ų112120 Ų12073%0.72776%0.757SS**  cis-150.6-167.530.541.4-16.6000119
374S31.8Very low35.6Very low107 Ų107118.3 Ų118.375%0.74876%0.757SS**  trans85.7142.7154.9-56.30000118.3
375S35Very low36Very low107 Ų107114.5 Ų114.575%0.74876%0.761SS**  cis-163.3176.42.3-128.40000114.6
376T36Very low35.9Very low121 Ų121115 Ų11574%0.74277%0.77SS**  trans82.3131.3154-153.50000122.7
377S36.9Very low36.2Very low106 Ų106122.1 Ų122.174%0.74178%0.782SS**  trans39.5130.5148.557.10000119.8
378G32Very low36.3Very low70 Ų70121.5 Ų121.572%0.72278%0.779SS**  cis143.1108.417.300000110
379C35.4Very low36.8Very low108 Ų108124.2 Ų124.273%0.7379%0.786SS**  trans61.6155144.9-141.90000121.8
380W31.6Very low36.9Very low209 Ų209125.9 Ų125.979%0.79279%0.787SS**  trans84.694.7167.2-53105.6000119.9
381L36.2Very low37.1Very low149 Ų149123.5 Ų123.578%0.7878%0.779SS**  41.4137.3125.2-56.6-177.4000121.9
382S44.8Very low36.7Very low120 Ų120122.3 Ų122.384%0.83977%0.774SS**  trans-64.1147.6172.2-44.50000115.1
383P44.7Very low37.5Very low132 Ų132125.3 Ų125.386%0.85778%0.778SS**  trans-122.3170131.412.49.1000109.4
384G28.7Very low36.8Very low74 Ų74125.5 Ų125.576%0.76378%0.782SS**  cis165.8168.611.700000107.9
385A39.2Very low37.4Very low110 Ų110124.7 Ų124.791%0.90978%0.776SS**  trans-78.9148.6-166.800000116.8
386A31.5Very low37.5Very low89 Ų89126.6 Ų126.674%0.73678%0.777SS**  trans-172.9136.7146.500000107.4
387R37.9Very low37.5Very low243 Ų243127.3 Ų127.392%0.91777%0.772SS**  cis55.188.343.7-68.7-162.274.7-131.10.7115
388S32.5Very low37.3Very low114 Ų114129.1 Ų129.180%0.79777%0.77SS**  trans-170.8130.1130.9-166.10000111
389D41.2Very low37.7Very low149 Ų149132.1 Ų132.180%0.79777%0.769SS**  trans-69.3156.3158.4-51.9-84.5000110.2
390F34.4Very low37.7Very low201 Ų201133 Ų13388%0.88277%0.766SS**  trans-152.3112.5146.5-138-89.3000109.6
391G33.8Very low37.7Very low56 Ų56126.9 Ų126.958%0.57776%0.756SS**  trans-108.1153.1172.200000111.1
392S44.1Very low37.6Very low103 Ų103128 Ų12872%0.7276%0.756SS**  trans-174.1153.9153.3-82.20000110.2
393N48.9Very low37Very low151 Ų151127 Ų12781%0.80775%0.75SS**  cis177.6124.8-34-96.3-19.1000106.4
394S37.3Very low36.6Very low117 Ų117129.3 Ų129.382%0.81875%0.749SS**  trans176.4143.7157.5-179.30000111
395S43.5Very low36.9Very low89 Ų89129.3 Ų129.362%0.62274%0.737SS**  cis-171.6-176.1-36.153.80000107.9
396L36.6Very low36.7Very low148 Ų148133.8 Ų133.878%0.77574%0.736SS**  trans79.9129.7179.3-44.6-169.9000114.8
397H35.3Very low36.7Very low136 Ų136134.9 Ų134.963%0.6374%0.739SS**  cis-153.9137.6-2.4-133-80.6000110.8
398M33Very low36.5Very low144 Ų144130.8 Ų130.871%0.70973%0.734SS**  trans31.5147.8143.5-65.7-169.8-20.900122.1
399L41.4Very low36.7Very low132 Ų132132 Ų13269%0.69173%0.732SS**  cis-171.1167.5-2.1-96.2164.2000104.3
400N34.7Very low36.5Very low126 Ų126132 Ų13267%0.67473%0.731SS**  cis-156.3159.97.9-142.7-12.5000110.9
401S31Very low36.4Very low82 Ų82129 Ų12957%0.57372%0.719SS**  trans16149.114454.80000122.4
402H36Very low36.2Very low171 Ų171136.2 Ų136.279%0.79273%0.729SS**  cis-169.4165.214.4-130.349000112.1
403S32.1Very low35.7Very low101 Ų101134.6 Ų134.671%0.70673%0.729SS**  trans26.8148.8144.962.50000122.7
404H36.4Very low35.6Very low179 Ų179133.7 Ų133.783%0.82973%0.731SS**  cis-171.5-173.9-3.6176.5-103.9000109.3
405S33.2Very low35.3Very low74 Ų74133.5 Ų133.552%0.51773%0.73SS.*  trans-76.8156.5-162.8-42.50000119.8
406K35.5Very low34.6Very low204 Ų204135.1 Ų135.189%0.88774%0.736SS**  trans54.4127.2140.3-73.1176176.7176.90122.3
407S32.2Very low34.3Very low113 Ų113136 Ų13679%0.7974%0.74SS**  -167.9152126.948.30000114.4
408L33.9Very low34.1Very low157 Ų157135.3 Ų135.382%0.82275%0.751SS**  trans11.8130.6152.2-62.3163.4000119.3
409D36.4Very low33.9Very low139 Ų139134.9 Ų134.974%0.74376%0.756SS**  75.6152.363.9-166.332.4000114.4
410L37.2Very low33.1Very low150 Ų150138.6 Ų138.679%0.78576%0.761SS**  trans92.598.7-177-55.3179.3000118.2
411E31.3Very low32.9Very low136 Ų136137.8 Ų137.864%0.63677%0.765SS**  51.9138.7117.7-119.3-149.6179.500123.4
412R30Very low32.9Very low208 Ų208142.6 Ų142.679%0.78578%0.778SS**  trans64.5103.6133.3-175.2175.4-86.8147.6-5.7119.3
413G34.6Very low32.6Very low69 Ų69139.7 Ų139.771%0.71177%0.765SS**  115.3165.7123.300000117.8
414P46.7Very low32.5Very low133 Ų133147.1 Ų147.186%0.86478%0.778SS**  trans-108.3141.8-164.238.1-29.8000114.7
415S29.9Very low32.3Very low113 Ų113146.2 Ų146.279%0.7977%0.772SS**  trans-167.9109158-164.50000110.5
416V29.9Very low32.3Very low122 Ų122151.3 Ų151.374%0.73979%0.787SS**  68.6109.695.6-175.60000116.3
417L29.5Very low32.7Very low166 Ų166147 Ų14787%0.86978%0.779SS**  trans52.3121.3151.7-67.4165.7000122
418S31.6Very low33Very low123 Ų123145.8 Ų145.886%0.8677%0.771SS**  -155170.8126.969.90000113.2
419V27.5Very low33Very low135 Ų135150 Ų15082%0.81878%0.776SS**  trans-79.6126.1-150172.70000116.5
420R26Very low33.1Very low210 Ų210149.5 Ų149.579%0.79278%0.781SS**  trans19.1126135.2-175-175.7-174.5131.50.3120.4
421S29.9Very low32.8Very low108 Ų108153.7 Ų153.776%0.75579%0.786SS**  trans-146.2161.913862.20000111.7
422E30Very low32.9Very low183 Ų183155.4 Ų155.486%0.85580%0.799SS**  trans64148174.4-128.754.3-128.100120.6
423Q30.3Very low33Very low110 Ų110153 Ų15351%0.51480%0.801SS.*  trans-143.5111.8-156.2178.5-177.4-89.400112.3K425Q423-K425 VanDerWaalsContact CD-CE 3.48Å; Q423-K425 HydrophobicContact CG-CD 4.34Å; Q423-K425 HydrophobicContact CG-CG 4.01Å
424R29.7Very low32.8Very low258 Ų258160.3 Ų160.397%0.97481%0.808SS**  trans-123.1119.2159.1-75.9-165.1177.1-153.70.5110.4
425K32Very low32Very low160 Ų160159 Ų15970%0.69680%0.801SS**  trans-99125.6-169.1-73.5171.9171169.80112.3Q423Q423-K425 VanDerWaalsContact CD-CE 3.48Å; Q423-K425 HydrophobicContact CG-CD 4.34Å; Q423-K425 HydrophobicContact CG-CG 4.01Å
426H34.8Very low32.1Very low180 Ų180161 Ų16183%0.83380%0.803SS**  -98.6176.7127.7-42.4-68.2000106.5
427P42.5Very low32.2Very low113 Ų113160.3 Ų160.373%0.73480%0.804SS**  cis-138.8-166-2.134.1-10.3000114.2
428S38.5Very low32.2Very low89 Ų89157.3 Ų157.362%0.62280%0.797SS**  trans72.4119.4138.259.30000124.3
429W34.3Very low32.4Very low245 Ų245163.4 Ų163.493%0.92880%0.801SS**  trans55.6125.4138.7-64.369.5000120.8
430P39.1Very low32.7Very low128 Ų128162.2 Ų162.283%0.83180%0.798SS**PPolyproline II helixtrans-82.4118169.932.1-29.5000111.7
431R30.2Very low33Very low238 Ų238161.3 Ų161.390%0.89880%0.803SS**PPolyproline II helixtrans-83136160.1-93.3-179.2154.785.8-2.2109.3D433R431-D433 PolarHBondContact O-N 3.37Å
432L34.4Very low33.2Very low172 Ų172162.2 Ų162.290%0.90181%0.809SS**PPolyproline II helixtrans-75.4116.1171.6-177.975.6000108.5
433D31.8Very low33.3Very low157 Ų157156.9 Ų156.984%0.8480%0.804SS**  trans-125.9151167.1-118-41.2000111.6R431R431-D433 PolarHBondContact O-N 3.37Å
434R30.9Very low33.4Very low224 Ų224158.9 Ų158.985%0.84582%0.818SS**  trans-118.1142.6-153.9-155.2-176.6-165.1-139.58.1110.8
435S30Very low33.7Very low104 Ų104158 Ų15873%0.72781%0.814SS**  trans108.2121148.2-41.40000118.8
436N31Very low33.8Very low155 Ų155154.1 Ų154.183%0.82982%0.82SS**  trans80.2105.6131.4-164.424.2000120.5
437S31.6Very low33.9Very low108 Ų108151.5 Ų151.576%0.75582%0.822SS**  trans-141.7126.4134.252.10000112.8
438S31Very low33.7Very low103 Ų103151.3 Ų151.372%0.7282%0.823SS**  trans53.6114.4148.453.40000121.7
439R35Very low33.9Very low252 Ų252156.7 Ų156.795%0.95184%0.835SS**  trans-74.4139.3156.7-65.8168165.9175.1-6.3111.9
440S34.1Very low33.9Very low109 Ų109148.6 Ų148.676%0.76283%0.828SS**  trans-163.9106.3146.546.30000108.8
441H30.9Very low33.6Very low191 Ų191154 Ų15488%0.88483%0.833SS**  87.2142.587.7-122.469.8000114.7
442S34.9Very low34Very low127 Ų127148.9 Ų148.989%0.88883%0.828SS**  trans68.9146.6-166.680.40000115.5
443G31.7Very low34.1Very low72 Ų72150.3 Ų150.374%0.74282%0.822SS**  cis-176.3117.5-700000113.4
444N32.8Very low34.5Very low152 Ų152150.6 Ų150.681%0.81382%0.823SS**  trans8.5114.3155-167.725.5000121
445R36.7Very low35Very low239 Ų239146.1 Ų146.190%0.90281%0.811SS**  -178.8133.9123.6-103.1177.1-175.5-127.20.4111.1
446G33Very low35.4Very low79 Ų79149 Ų14981%0.81482%0.818SS**  trans-96.717317600000113.4
447S37.6Very low36Very low124 Ų124151.3 Ų151.387%0.86782%0.816SS**  trans-160.2133.9145.9-166.50000110.8
448S38.8Very low36.8Very low109 Ų109155 Ų15576%0.76282%0.821SS**  trans-75.4137.7174.250.80000112
449K41.6Very low37.4Very low203 Ų203159.8 Ų159.888%0.88383%0.832SS**  trans-149.8118.1151.1-121170.2-177.8177.90110.2
450G35.4Very low37.6Very low74 Ų74155 Ų15576%0.76382%0.821SS**  trans-80.8160.5178.800000112
451Y32.5Very low37.9Very low241 Ų241154 Ų15495%0.94582%0.818SS**  trans-98.6111.2170.5-78.6-89.7000109.8
452T39.1Very low38.3Very low131 Ų131154 Ų15480%0.80482%0.819SS**  trans-78.7128.9167.341.20000110.1
453R36Very low38.7Very low203 Ų203159.2 Ų159.277%0.76682%0.819SS**  trans-69.1131.8172177.8178.8176.8163.90.1109.6E455R453-E455 IonicContact CZ-OE2 3.18Å; R453-E455 IonicContact NE-OE1 2.72Å; R453-E455 IonicContact NE-OE2 2.76Å; R453-E455 PolarHBondContact NE-OE2 3.13Å; R453-E455 IonicContact NH2-OE1 2.68Å; R453-E455 PolarHBondContact NH2-OE1 3.1Å; R453-E455 IonicContact NH2-OE2 2.66Å; R453-E455 PolarHBondContact NH2-OE2 3.45Å
454L39.9Very low38.9Very low163 Ų163163.6 Ų163.685%0.85383%0.825SS**  trans-119.7114.7169.6-83.4167.3000108.4
455E41.2Very low39.1Very low129 Ų129165 Ų16560%0.60383%0.831SS**  trans-125.1162.3162.5-74.9168.4147.900106.7R453R453-E455 IonicContact CZ-OE2 3.18Å; R453-E455 IonicContact NE-OE1 2.72Å; R453-E455 IonicContact NE-OE2 2.76Å; R453-E455 PolarHBondContact NE-OE2 3.13Å; R453-E455 IonicContact NH2-OE1 2.68Å; R453-E455 PolarHBondContact NH2-OE1 3.1Å; R453-E455 IonicContact NH2-OE2 2.66Å; R453-E455 PolarHBondContact NH2-OE2 3.45Å
456D38Very low39.1Very low164 Ų164161.1 Ų161.188%0.87783%0.828SS**  trans65.284.8177.2-60.1-16.4000118.9
457R44.3Very low39.4Very low205 Ų205166 Ų16677%0.77483%0.829SS**  trans-162.260.4146.7-159177.4147.4853.1115.1
458E49.3Very low39.3Very low185 Ų185166.1 Ų166.186%0.86483%0.831SS**  trans-120.9-8.4170.9-72.6-170.6157.500115.7Q460E458-Q460 VanDerWaalsContact C-N 3.25Å; E458-Q460 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact O-N 3.16Å
459E43.4Very low39Very low203 Ų203165.9 Ų165.995%0.94984%0.835SS**THydrogen-bonded Turntrans-82.620.7178-66.4-165.1144.600115.3
460Q38Very low38.6Very low153 Ų153161 Ų16172%0.71583%0.827SS**THydrogen-bonded Turntrans-136.526.5-174.8-149.2168.87000114.7E458E458-Q460 VanDerWaalsContact C-N 3.25Å; E458-Q460 PolarHBondContact O-N 2.86Å; E458-Q460 VanDerWaalsContact O-N 3.16Å
461A41.7Very low38.7Very low86 Ų86163.9 Ų163.971%0.71183%0.832SS**SBendtrans-107.1-14.5175.300000114.6R463A461-R463 PolarHBondContact O-N 3.25Å
462E39.5Very low38.9Very low192 Ų192158.4 Ų158.490%0.89782%0.824SS**THydrogen-bonded Turntrans-95.626.6-173.8-61.4-161.8146.800115.1
463R41.9Very low39Very low237 Ų237157.4 Ų157.489%0.89481%0.813SS**THydrogen-bonded Turntrans-131.614.3-178-79.4-169.9178.5153.73.2116.4A461A461-R463 PolarHBondContact O-N 3.25Å
464L36.7Very low39.5Very low164 Ų164159 Ų15986%0.85982%0.82SS**SBendtrans-136.627.9-176.9-76.4176.1000114.9
465L37.4Very low40.4Very low181 Ų181158.8 Ų158.895%0.94881%0.807SS**SBendtrans-136.638.6170.5-72.8178.2000112.4
466D34.9Very low40.7Very low158 Ų158160.5 Ų160.585%0.84582%0.82SS**  trans-126.668.4175.2-150.215.5000109.3
467E39.5Very low42.3Very low180 Ų180157.4 Ų157.484%0.84180%0.797SS**SBendtrans-162.772.4168.7-169.577.2145.800110.6
468S36.9Very low43.9Very low128 Ų128151.2 Ų151.290%0.89579%0.785SS**  trans168.767.9154.642.10000114.1
469A31.8Very low45.1Very low103 Ų103151.2 Ų151.285%0.85178%0.782SS**  trans-147.2139.7159.900000111.5
470S32.3Very low46.4Very low102 Ų102151.1 Ų151.171%0.71377%0.774SS**  trans-71.1157.4-177.546.20000112.9T472S470-T472 PolarHBondContact O-N 3.08Å; S470-T472 VanDerWaalsContact O-N 3.17Å
471P38.6Very low48Very low134 Ų134148 Ų14887%0.8776%0.759SS**  trans-73.3114.1-169.129-35000111.6
472T36.5Very low49.7Very low125 Ų125149.2 Ų149.277%0.76775%0.748SS**  trans-112.4127.4161.947.60000109.9S470 R474S470-T472 PolarHBondContact O-N 3.08Å; S470-T472 VanDerWaalsContact O-N 3.17Å; T472-R474 PolarHBondContact O-N 3.3Å
473D41.8Very low51Low110 Ų110145.8 Ų145.859%0.58874%0.735SS**  trans-46101-173.8-174.210.9000113.6R475D473-R475 VanDerWaalsContact C-N 3.32Å; D473-R475 PolarHBondContact O-N 3.01Å; D473-R475 IonicContact OD2-CZ 3.37Å; D473-R475 IonicContact OD2-NE 2.74Å; D473-R475 PolarHBondContact OD2-NE 3.18Å; D473-R475 IonicContact OD2-NH2 3.11Å; D473-R475 PolarHBondContact OD2-NH2 3.44Å
474R45.2Very low52.2Low238 Ų238139.4 Ų139.490%0.89872%0.719SS**  trans-74.182.8174.7-85.5-169173.61632.5110.3T472T472-R474 PolarHBondContact O-N 3.3Å
475R59.3Low53.9Low158 Ų158136.9 Ų136.960%0.59670%0.703SS**  trans-76.1126.8170.4-64.2-174.3-170167.710.2111.5D473 Y477D473-R475 VanDerWaalsContact C-N 3.32Å; D473-R475 PolarHBondContact O-N 3.01Å; D473-R475 IonicContact OD2-CZ 3.37Å; D473-R475 IonicContact OD2-NE 2.74Å; D473-R475 PolarHBondContact OD2-NE 3.18Å; D473-R475 IonicContact OD2-NH2 3.11Å; D473-R475 PolarHBondContact OD2-NH2 3.44Å; R475-Y477 HydrophobicContact CB-CD1 4.46Å; R475-Y477 HydrophobicContact CB-CE1 4.06Å; R475-Y477 PolarHBondContact O-N 3.45Å
476D48.4Very low55.1Low164 Ų164132.8 Ų132.888%0.87768%0.682SS**  trans-73.186.2172.8-83.4-46.2000111.6S478D476-S478 PolarHBondContact O-N 3.4Å
477Y71.5Confident56Low100 Ų100129.4 Ų129.439%0.39267%0.67SS.*  trans-63.8127.9177-61.4-57.9000112.2R475 E481 K482 M485R475-Y477 HydrophobicContact CB-CD1 4.46Å; R475-Y477 HydrophobicContact CB-CE1 4.06Å; R475-Y477 PolarHBondContact O-N 3.45Å; Y477-E481 HydrophobicContact CD1-CG 4.09Å; Y477-E481 WeakPolarHBondContact CD1-OE1 3.33Å; Y477-E481 WeakPolarHBondContact CD1-OE2 3.44Å; Y477-K482 WeakPolarHBondContact O-CE 3.45Å; Y477-M485 HydrophobicContact CD2-SD 4.36Å
478S77.1Confident56.7Low75 Ų75130.9 Ų130.952%0.52467%0.668SS.*  trans-63155.4-179.6178.50000111.8D476 R480 E481 K482D476-S478 PolarHBondContact O-N 3.4Å; S478-R480 PolarHBondContact O-N 3.26Å; S478-R480 VanDerWaalsContact O-N 3.08Å; S478-E481 PolarHBondContact N-OE2 2.98Å; S478-E481 WeakPolarHBondContact O-CA 3.48Å; S478-E481 WeakPolarHBondContact O-CB 3.47Å; S478-E481 PolarHBondContact O-N 3.16Å; S478-K482 PolarHBondContact O-N 3.39Å
479K73.8Confident57.5Low184 Ų184128.3 Ų128.380%0.865%0.65SS**Hα-helixtrans-54.4-32177.6-73.6-179.3178.6174.40112.9L483K479-L483 PolarHBondContact O-N 3.13Å
480R71.9Confident58.5Low202 Ų202130.3 Ų130.376%0.76264%0.641SS**Hα-helixtrans-69.3-32.4175.4-173.8177.4-179.3-175.1-0.5112.8S478 L484S478-R480 PolarHBondContact O-N 3.26Å; S478-R480 VanDerWaalsContact O-N 3.08Å; R480-L484 PolarHBondContact O-N 3.45Å
481E71.7Confident59.3Low86 Ų86131.6 Ų131.640%0.40264%0.64SS.*Hα-helixtrans-82.2-40.1-177.6-170169.1-162.800111.5Y477 S478 L483 L484 M485Y477-E481 HydrophobicContact CD1-CG 4.09Å; Y477-E481 WeakPolarHBondContact CD1-OE1 3.33Å; Y477-E481 WeakPolarHBondContact CD1-OE2 3.44Å; S478-E481 PolarHBondContact N-OE2 2.98Å; S478-E481 WeakPolarHBondContact O-CA 3.48Å; S478-E481 WeakPolarHBondContact O-CB 3.47Å; S478-E481 PolarHBondContact O-N 3.16Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.96Å; E481-L484 WeakPolarHBondContact O-CA 3.19Å; E481-L484 WeakPolarHBondContact O-CB 3.42Å; E481-L484 PolarHBondContact O-N 3.38Å; E481-M485 PolarHBondContact O-N 3.28Å
482K76.9Confident59.5Low112 Ų112132.3 Ų132.349%0.48764%0.637SS.*Hα-helixtrans-57.5-39169.2-68.3179.4175.41720111.8Y477 S478 M485 I486Y477-K482 WeakPolarHBondContact O-CE 3.45Å; S478-K482 PolarHBondContact O-N 3.39Å; K482-M485 PolarHBondContact O-N 2.74Å; K482-I486 WeakPolarHBondContact O-CD1 3.46Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.98Å
483L67.6Low59.9Low121 Ų121135 Ų13563%0.63465%0.646SS**Hα-helixtrans-64.2-37.6171.8-90.3160.5000113.3K479 E481 S487K479-L483 PolarHBondContact O-N 3.13Å; E481-L483 VanDerWaalsContact C-N 3.26Å; E481-L483 PolarHBondContact O-N 2.96Å; L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 2.76Å
484L66.6Low60Low103 Ų103133.6 Ų133.654%0.53965%0.645SS.*Hα-helixtrans-70.4-35.3176.3-79.4163.1000112.7R480 E481 S487 R488R480-L484 PolarHBondContact O-N 3.45Å; E481-L484 WeakPolarHBondContact O-CA 3.19Å; E481-L484 WeakPolarHBondContact O-CB 3.42Å; E481-L484 PolarHBondContact O-N 3.38Å; L484-S487 PolarHBondContact O-N 2.72Å; L484-R488 PolarHBondContact O-N 3.41Å
485M71.4Confident59.9Low110 Ų110131.9 Ų131.954%0.54264%0.644SS.*Hα-helixtrans-62.3-47.2172.8-70.417463.700111.3Y477 E481 K482 S487 R488 S489Y477-M485 HydrophobicContact CD2-SD 4.36Å; E481-M485 PolarHBondContact O-N 3.28Å; K482-M485 PolarHBondContact O-N 2.74Å; M485-S487 VanDerWaalsContact C-N 3.33Å; M485-S487 PolarHBondContact O-N 2.94Å; M485-R488 PolarHBondContact O-N 3.34Å; M485-R488 VanDerWaalsContact O-N 3.13Å; M485-S489 PolarHBondContact O-N 2.91Å
486I62.5Low59.2Low96 Ų96133.7 Ų133.749%0.49266%0.659SS.*Hα-helixtrans-63.3-39.5176.6-62.6162.5000110.9K482 R488 S489 H490K482-I486 WeakPolarHBondContact O-CD1 3.46Å; K482-I486 WeakPolarHBondContact O-CG1 3.36Å; K482-I486 PolarHBondContact O-N 2.98Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.16Å; I486-S489 PolarHBondContact O-N 2.95Å; I486-S489 PolarHBondContact O-OG 3.16Å; I486-H490 PolarHBondContact O-CD2 3.46Å
487S54.8Low58.9Low86 Ų86134.9 Ų134.960%0.60166%0.657SS**THydrogen-bonded Turntrans-67.6-12.2177.3-167.90000114.2L483 L484 M485L483-S487 WeakPolarHBondContact O-CB 3.38Å; L483-S487 PolarHBondContact O-N 2.76Å; L484-S487 PolarHBondContact O-N 2.72Å; M485-S487 VanDerWaalsContact C-N 3.33Å; M485-S487 PolarHBondContact O-N 2.94Å
488R54.4Low57.7Low211 Ų211138 Ų13880%0.79668%0.68SS**THydrogen-bonded Turntrans-98.1-17175.7-78.7-178.6170.4172.9-3114L484 M485 I486 H490L484-R488 PolarHBondContact O-N 3.41Å; M485-R488 PolarHBondContact O-N 3.34Å; M485-R488 VanDerWaalsContact O-N 3.13Å; I486-R488 PolarHBondContact O-N 3.06Å; I486-R488 VanDerWaalsContact O-N 3.16Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.39Å
489S53.4Low56.1Low74 Ų74143.4 Ų143.452%0.51770%0.697SS.*SBendtrans-82.2-2.3-178.751.60000115.2M485 I486M485-S489 PolarHBondContact O-N 2.91Å; I486-S489 PolarHBondContact O-N 2.95Å; I486-S489 PolarHBondContact O-OG 3.16Å
490H53.3Low54.6Low145 Ų145144.3 Ų144.367%0.67170%0.701SS**SBendtrans-112.737.4-174.8-59.7-59.3000113.8I486 R488I486-H490 PolarHBondContact O-CD2 3.46Å; R488-H490 VanDerWaalsContact C-N 3.33Å; R488-H490 PolarHBondContact O-N 3.39Å
491N49.6Very low53.1Low129 Ų129143 Ų14369%0.6971%0.709SS**  trans-140.932.9-178-106.6-25.3000114.5
492N41.4Very low51.5Low150 Ų150144.5 Ų144.580%0.80273%0.73SS**  trans-117.947.3174.8-76.7-43.1000112.5
493L45.6Very low49.6Very low181 Ų181144.4 Ų144.495%0.94874%0.743SS**SBendtrans-140.446.5169.6-83.5-179.2000111.9
494S43Very low48.2Very low81 Ų81145.4 Ų145.457%0.56675%0.754SS**SBendtrans-152.4140.5165.558.10000109.8
495F44.2Very low47Very low202 Ų202149.3 Ų149.389%0.88678%0.775SS**  trans77.975.3-178.2-58.8-81.3000116.8
496E43.6Very low45.6Very low195 Ų195153.7 Ų153.791%0.91179%0.791SS**  trans-133.378.9143.3-158.7-175.8135.400109.5
497K43.1Very low44.4Very low190 Ų190161.1 Ų161.183%0.82681%0.813SS**SBendtrans-177.483.4165.6-111.7172.1-177.3170.20109
498D45.8Very low43.6Very low166 Ų166160.3 Ų160.389%0.88882%0.817SS**SBendtrans173.463.8149.9-91.6-19.4000110.5
499E44.5Very low42.8Very low188 Ų188156 Ų15688%0.87982%0.82SS**  trans-157.556.9169.9-131.2167.7-143.700113.9
500F41.1Very low42.4Very low203 Ų203158.1 Ų158.189%0.8984%0.835SS**SBendtrans-15457.3164.2-125.7-75.8000114
501N40Very low41.6Very low173 Ų173160 Ų16093%0.92584%0.844SS**  trans-156.655.8170.1-104.9-40.1000113.8
502S38.4Very low41.6Very low119 Ų119160.6 Ų160.683%0.83285%0.852SS**  trans-151.359.5174.3660000115.5
503S36.5Very low41.4Very low110 Ų110163.9 Ų163.977%0.76985%0.853SS**  trans-175.6110.5149.650.40000108.2
504T38.2Very low40.9Very low141 Ų141168.8 Ų168.887%0.86587%0.867SS**  -162.187.889.227.30000110.4K506T504-K506 PolarHBondContact O-N 3.17Å
505L41.3Very low40.8Very low185 Ų185173.2 Ų173.297%0.96988%0.882SS**  trans-76.5115.6165.8-77.9171.3000109.4
506K43.3Very low40.6Very low202 Ų202171.6 Ų171.688%0.87888%0.882SS**  trans-143.7135.9168.8-155.3175.9-175.2175.80108.2T504T504-K506 PolarHBondContact O-N 3.17Å
507R37.5Very low40.5Very low253 Ų253170.3 Ų170.396%0.95588%0.881SS**  trans78.4124.7-169-169.6-174.6-78.7170.2-8.3112.7
508G37.1Very low40.3Very low68 Ų68169.2 Ų169.270%0.70188%0.884SS**  cis174.1151.7-7.200000112.1
509S38.6Very low39.9Very low121 Ų121169.4 Ų169.485%0.84688%0.884SS**  trans23123164.7-54.20000120.9
510S44.3Very low39.6Very low119 Ų119168.1 Ų168.183%0.83288%0.884SS**  -175.9111.694.742.20000112.9
511E35.8Very low39.5Very low184 Ų184165.6 Ų165.686%0.8688%0.884SS**  trans-134.2120.8150.6-174.8172.3-175.600107.2
512T49.2Very low39.5Very low141 Ų141165.1 Ų165.187%0.86588%0.88SS**  trans-134.1110.3172.348.90000107.9
513R37.6Very low39.6Very low219 Ų219168.9 Ų168.983%0.82688%0.884SS**  trans-135.892.6165.7-175.6-178.9-169.9146.74.4108.7
514F35.8Very low39.9Very low284 Ų284174.3 Ų174.3100%1.24690%0.895SS**  trans-160.50137.5-89.2-62.6000107.8

Retrieved 514 of 514 residues in 296.6 ms (Link to these results)