G4VKK2_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 19

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession G4VKK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MED19, Length 513 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
1M43.1Very low47Very low249 Ų249140.1 Ų140.1100%1.22786%0.856SS**  0145.80-77.4163.1152.700108.2
2N43.5Very low46.3Very low159 Ų159134.3 Ų134.385%0.8585%0.845SS**  trans-54.5168.8-168.2-94.1-8.4000117.3
3P54.1Low45.8Very low114 Ų114135.6 Ų135.674%0.7485%0.851SS**  cis-139.7171.5-24.935.5-17000115.5
4S42.7Very low45.1Very low110 Ų110131.9 Ų131.977%0.76985%0.853SS**PPolyproline II helixtrans-73.1159.8167.8-53.90000113.4
5P63.1Low44.9Very low122 Ų122131.3 Ų131.379%0.79285%0.853SS**PPolyproline II helixtrans-74.5135.3176.330.3-34.6000112.5
6A50.2Low44.4Very low96 Ų96133.1 Ų133.179%0.79385%0.853SS**PPolyproline II helixtrans-84.9135.7173.900000111.5
7F48.4Very low44.3Very low210 Ų210134.2 Ų134.292%0.92185%0.85SS**PPolyproline II helixtrans-82.9122.2166.7-88-91.5000110.1A9F7-A9 PolarHBondContact O-N 3.34Å
8S45.6Very low44Very low127 Ų127135.8 Ų135.889%0.88885%0.845SS**  trans-78.2110.8173-62.90000110.9
9A39Very low43.7Very low102 Ų102135.5 Ų135.584%0.84384%0.842SS**  trans-104.1119.6160.800000108.8F7F7-A9 PolarHBondContact O-N 3.34Å
10A44.8Very low43.1Very low82 Ų82132.8 Ų132.868%0.67884%0.842SS**  trans-157.3120.7169.800000111.2
11N42.6Very low42.8Very low170 Ų170132.9 Ų132.991%0.90984%0.837SS**  trans51.4132.6150.8-52.3-15.6000119.5
12G38.2Very low42.8Very low71 Ų71128.3 Ų128.373%0.73282%0.823SS**  cis131.9114.92.200000111.6
13T40.7Very low42.7Very low151 Ų151125.3 Ų125.393%0.92681%0.81SS**  trans-155116.4159.12.90000107.7
14G35.9Very low42.3Very low84 Ų84124.1 Ų124.187%0.86681%0.805SS**  trans-94.3140.3-176.500000112.5
15S41.5Very low42.5Very low123 Ų123123.9 Ų123.986%0.8681%0.809SS**  trans-139.789.5152.758.60000107.8
16N37.2Very low41.9Very low160 Ų160123 Ų12386%0.85680%0.802SS**  trans-94.2114.2170.6177-1.1000107.5
17L42.7Very low42.1Very low151 Ų151122.7 Ų122.779%0.79178%0.78SS**  trans-163.9137.4163.1-106.9155.7000109.9
18Q37.9Very low42.5Very low163 Ų163119.9 Ų119.976%0.76277%0.773SS**  trans66.295.8171.7-64.5173-30.200115.9
19T38.2Very low43Very low130 Ų130119.4 Ų119.480%0.79876%0.76SS**  56118.675.471.10000113.2
20G32.3Very low43.8Very low82 Ų82118.2 Ų118.285%0.84574%0.736SS**  trans-62.4146.8-170.500000114.4
21N37.9Very low44.5Very low135 Ų135120.2 Ų120.272%0.72274%0.735SS**  trans-14582.5166.3-146.812.9000109.6V23N21-V23 PolarHBondContact O-N 2.87Å
22T41.9Very low45.5Very low152 Ų152118.3 Ų118.393%0.93372%0.718SS**  trans-73.953.9170.227.70000110.8
23V42.8Very low46.8Very low96 Ų96120.7 Ų120.758%0.58271%0.713SS**SBendtrans-144.3130.3-180-155.70000111.2N21N21-V23 PolarHBondContact O-N 2.87Å
24S44.1Very low47.9Very low90 Ų90117 Ų11763%0.62969%0.69SS**  trans55.769.7155.155.40000118T26S24-T26 VanDerWaalsContact CB-OG1 3.27Å; S24-T26 WeakPolarHBondContact CB-OG1 3.34Å; S24-T26 PolarHBondContact O-N 3.12Å
25A46.8Very low49.2Very low105 Ų105114.8 Ų114.887%0.86867%0.668SS**  trans-7344.7148.400000111.5W27A25-W27 PolarHBondContact O-N 3.22Å
26T52Low50.2Low103 Ų103120.5 Ų120.563%0.63267%0.671SS**  trans-76.382.6172.1-0.20000108.3S24 I28S24-T26 VanDerWaalsContact CB-OG1 3.27Å; S24-T26 WeakPolarHBondContact CB-OG1 3.34Å; S24-T26 PolarHBondContact O-N 3.12Å; T26-I28 PolarHBondContact O-N 3.12Å
27W52.9Low51.7Low90 Ų90115.6 Ų115.634%0.34166%0.657SS.*  trans-16.9116.6163.248.7-81.1000114.2A25 N29 K30 P47 M51A25-W27 PolarHBondContact O-N 3.22Å; W27-N29 HydrophobicContact CE3-CB 4Å; W27-N29 HydrophobicContact CZ3-CB 4.36Å; W27-N29 PolarHBondContact O-N 3.35Å; W27-K30 HydrophobicContact CD2-CG 4.46Å; W27-K30 HydrophobicContact CE3-CG 3.89Å; W27-K30 HydrophobicContact CH2-CD 4.09Å; W27-K30 HydrophobicContact CH2-CG 3.73Å; W27-K30 HydrophobicContact CZ2-CD 4.32Å; W27-K30 HydrophobicContact CZ2-CG 4.27Å; W27-K30 HydrophobicContact CZ3-CD 4.35Å; W27-K30 HydrophobicContact CZ3-CG 3.49Å; W27-K30 VanDerWaalsContact CZ3-CG 3.49Å; W27-P47 HydrophobicContact CH2-CG 4.4Å; W27-M51 HydrophobicContact CH2-CE 4.25Å; W27-M51 HydrophobicContact CZ3-CE 3.75Å
28I56.9Low53Low151 Ų151116.9 Ų116.977%0.77466%0.659SS**G310 helixtrans-62.8-5.3-170-80.6167.4000114.5T26 K30T26-I28 PolarHBondContact O-N 3.12Å; I28-K30 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact O-N 3.1Å
29N55.9Low53.8Low116 Ų116115.7 Ų115.762%0.6266%0.658SS**G310 helixtrans-78.310.3-173.8-52.2-27.7000115.3W27W27-N29 HydrophobicContact CE3-CB 4Å; W27-N29 HydrophobicContact CZ3-CB 4.36Å; W27-N29 PolarHBondContact O-N 3.35Å
30K57.7Low55.1Low78 Ų78118.2 Ų118.234%0.33965%0.653SS.*G310 helixtrans-95.9-6.8-179.9-78.7-146.7178-168.10116W27 I28 P44 C45W27-K30 HydrophobicContact CD2-CG 4.46Å; W27-K30 HydrophobicContact CE3-CG 3.89Å; W27-K30 HydrophobicContact CH2-CD 4.09Å; W27-K30 HydrophobicContact CH2-CG 3.73Å; W27-K30 HydrophobicContact CZ2-CD 4.32Å; W27-K30 HydrophobicContact CZ2-CG 4.27Å; W27-K30 HydrophobicContact CZ3-CD 4.35Å; W27-K30 HydrophobicContact CZ3-CG 3.49Å; W27-K30 VanDerWaalsContact CZ3-CG 3.49Å; I28-K30 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact O-N 3.1Å; K30-P44 WeakPolarHBondContact O-CA 2.96Å; K30-C45 PolarHBondContact O-N 2.83Å
31L59.6Low56.6Low124 Ų124117.2 Ų117.265%0.64964%0.637SS**EExtended strand (participates in β ladder)trans-102.9100.8-170.1-51.4-173.4000111.7V42L31-V42 HydrophobicContact CB-CG1 3.72Å; L31-V42 HydrophobicContact CD1-CG1 4.3Å; L31-V42 HydrophobicContact CD2-CG1 3.6Å; L31-V42 HydrophobicContact CG-CG1 4.04Å
32K62.8Low57.7Low129 Ų129114.8 Ų114.856%0.56163%0.627SS**EExtended strand (participates in β ladder)trans-98.1120.1163.5-172.2177.9-178.8175.40108.9V34 A43 C45K32-V34 HydrophobicContact CB-CG2 4.24Å; K32-V34 HydrophobicContact CD-CG2 3.91Å; K32-V34 HydrophobicContact CG-CG2 3.75Å; K32-V34 PolarHBondContact O-N 3.26Å; K32-A43 PolarHBondContact N-O 3.33Å; K32-A43 PolarHBondContact O-N 3.01Å; K32-C45 VanDerWaalsContact CB-SG 3.51Å
33I64.5Low58.7Low121 Ų121109.3 Ų109.362%0.62160%0.597SS**EExtended strand (participates in β ladder)trans-70.3114168.5-57.7172.4000106.9W40I33-W40 HydrophobicContact CG2-CB 4.11Å; I33-W40 HydrophobicContact CG2-CG 4.39Å
34V64.1Low59.6Low73 Ų73110 Ų11044%0.44260%0.604SS.*EExtended strand (participates in β ladder)trans-121.7114.7177.8-176.40000108.1K32 A41 A43K32-V34 HydrophobicContact CB-CG2 4.24Å; K32-V34 HydrophobicContact CD-CG2 3.91Å; K32-V34 HydrophobicContact CG-CG2 3.75Å; K32-V34 PolarHBondContact O-N 3.26Å; V34-A41 PolarHBondContact N-O 3.06Å; V34-A41 PolarHBondContact O-N 3.2Å; V34-A41 VanDerWaalsContact O-N 3.12Å; V34-A43 HydrophobicContact CG2-CB 4.11Å
35G63.7Low60.6Low39 Ų39108 Ų10840%0.40259%0.589SS.*  trans173.6158.5179.800000111.8N39G35-N39 WeakPolarHBondContact CA-O 3.46Å
36R62.3Low61.6Low243 Ų243111 Ų11192%0.91759%0.585SS**SBendtrans-133.3142.2164.8-64.5-171-173.9-1315.5107.6
37G69.2Low62.3Low56 Ų56107.2 Ų107.258%0.57756%0.562SS**THydrogen-bonded Turntrans77.4-155.1-170.200000112.5N39G37-N39 PolarHBondContact O-N 3.42Å
38Q69.8Low63.2Low178 Ų178109.5 Ų109.583%0.83258%0.575SS**THydrogen-bonded Turntrans-75.1-7.2-175.6-74.8152.7-46.900114.6W40Q38-W40 PolarHBondContact O-N 3.03Å
39N54.5Low63.8Low138 Ų138112.7 Ų112.774%0.73858%0.579SS**  trans-96.573.4179.9-64.8-51.2000110.8G35 G37 A41G35-N39 WeakPolarHBondContact CA-O 3.46Å; G37-N39 PolarHBondContact O-N 3.42Å; N39-A41 PolarHBondContact O-N 2.95Å
40W64.6Low64.6Low184 Ų184115.9 Ų115.970%0.69760%0.595SS**  trans-80.5104.4168.8-60.1-68.1000109.7I33 Q38I33-W40 HydrophobicContact CG2-CB 4.11Å; I33-W40 HydrophobicContact CG2-CG 4.39Å; Q38-W40 PolarHBondContact O-N 3.03Å
41A65.5Low65.3Low60 Ų60114.3 Ų114.350%0.49659%0.589SS.*EExtended strand (participates in β ladder)trans-94.3143171.800000110.3V34 N39V34-A41 PolarHBondContact N-O 3.06Å; V34-A41 PolarHBondContact O-N 3.2Å; V34-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact O-N 2.95Å
42V60.6Low65.9Low84 Ų84111.1 Ų111.151%0.50959%0.586SS.*EExtended strand (participates in β ladder)trans-97.1102.5172.7-175.80000108L31L31-V42 HydrophobicContact CB-CG1 3.72Å; L31-V42 HydrophobicContact CD1-CG1 4.3Å; L31-V42 HydrophobicContact CD2-CG1 3.6Å; L31-V42 HydrophobicContact CG-CG1 4.04Å
43A61.9Low66.3Low37 Ų37109.9 Ų109.931%0.30659%0.589SS.*EExtended strand (participates in β ladder)trans-86.2132.3179.100000109.9K32 V34 C45K32-A43 PolarHBondContact N-O 3.33Å; K32-A43 PolarHBondContact O-N 3.01Å; V34-A43 HydrophobicContact CG2-CB 4.11Å; A43-C45 PolarHBondContact O-N 3.45Å; A43-C45 VanDerWaalsContact O-N 3.16Å
44P63.1Low66.8Low112 Ų112110.4 Ų110.473%0.72759%0.589SS**EExtended strand (participates in β ladder)trans-62.1115.4167.8-18.731.4000109.4K30K30-P44 WeakPolarHBondContact O-CA 2.96Å
45C63.3Low67.1Low48 Ų48111.5 Ų111.532%0.32460%0.598SS.*PPolyproline II helixtrans-74.2132.3170-94.80000110.5K30 K32 A43K30-C45 PolarHBondContact O-N 2.83Å; K32-C45 VanDerWaalsContact CB-SG 3.51Å; A43-C45 PolarHBondContact O-N 3.45Å; A43-C45 VanDerWaalsContact O-N 3.16Å
46E68.2Low67.6Low167 Ų167115.5 Ų115.578%0.7862%0.617SS**PPolyproline II helixtrans-48140.6155.4-84.2-83.4104.700109.4
47P67.8Low68.1Low24 Ų24107.3 Ų107.316%0.15660%0.601CS.*PPolyproline II helixtrans-55.7144.7170.2-14.326.6000109.6W27 Y49 M51 T53W27-P47 HydrophobicContact CH2-CG 4.4Å; P47-Y49 PolarHBondContact O-N 3.23Å; P47-M51 HydrophobicContact CB-CB 4.14Å; P47-M51 HydrophobicContact CB-CE 3.93Å; P47-T53 HydrophobicContact CG-CG2 3.64Å
48F71.2Confident68.1Low137 Ų137110.2 Ų110.260%0.60161%0.61SS**PPolyproline II helixtrans-60.9140.2168.558.1-102000109.2L50 M51F48-L50 PolarHBondContact O-N 3.26Å; F48-M51 HydrophobicContact CD1-CB 4.21Å; F48-M51 HydrophobicContact CD1-CE 3.6Å; F48-M51 HydrophobicContact CD1-SD 3.93Å; F48-M51 HydrophobicContact CD2-CB 3.75Å; F48-M51 HydrophobicContact CE1-CB 4.05Å; F48-M51 HydrophobicContact CE1-CE 3.58Å; F48-M51 HydrophobicContact CE1-CG 4.11Å; F48-M51 HydrophobicContact CE1-SD 3.25Å; F48-M51 WeakPolarHBondContact CE1-SD 3.46Å; F48-M51 HydrophobicContact CE2-CB 3.56Å; F48-M51 HydrophobicContact CE2-CG 4.19Å; F48-M51 HydrophobicContact CE2-SD 4.38Å; F48-M51 HydrophobicContact CG-CB 4.07Å; F48-M51 HydrophobicContact CG-CE 4.34Å; F48-M51 HydrophobicContact CZ-CB 3.72Å; F48-M51 HydrophobicContact CZ-CE 4.3Å; F48-M51 HydrophobicContact CZ-CG 3.84Å; F48-M51 HydrophobicContact CZ-SD 3.52Å; F48-M51 VanDerWaalsContact CZ-SD 3.52Å; F48-M51 WeakPolarHBondContact O-CB 3.08Å; F48-M51 PolarHBondContact O-N 3.04Å
49Y70.1Confident67.9Low219 Ų219108.6 Ų108.686%0.85961%0.607SS**THydrogen-bonded Turntrans-48.8129.2174.9-57.9-83.6000109.6P47P47-Y49 PolarHBondContact O-N 3.23Å
50L72.9Confident68.9Low182 Ų182105.5 Ų105.595%0.95360%0.6SS**THydrogen-bonded Turntrans88.5-11.1-169.4-55.1147.1000116.9F48 G52F48-L50 PolarHBondContact O-N 3.26Å; L50-G52 PolarHBondContact O-N 2.95Å
51M71.5Confident69.6Low46 Ų46101 Ų10123%0.22760%0.602CS.*  trans-83.1107.9169.4-158.416647.500110W27 P47 F48 T53W27-M51 HydrophobicContact CH2-CE 4.25Å; W27-M51 HydrophobicContact CZ3-CE 3.75Å; P47-M51 HydrophobicContact CB-CB 4.14Å; P47-M51 HydrophobicContact CB-CE 3.93Å; F48-M51 HydrophobicContact CD1-CB 4.21Å; F48-M51 HydrophobicContact CD1-CE 3.6Å; F48-M51 HydrophobicContact CD1-SD 3.93Å; F48-M51 HydrophobicContact CD2-CB 3.75Å; F48-M51 HydrophobicContact CE1-CB 4.05Å; F48-M51 HydrophobicContact CE1-CE 3.58Å; F48-M51 HydrophobicContact CE1-CG 4.11Å; F48-M51 HydrophobicContact CE1-SD 3.25Å; F48-M51 WeakPolarHBondContact CE1-SD 3.46Å; F48-M51 HydrophobicContact CE2-CB 3.56Å; F48-M51 HydrophobicContact CE2-CG 4.19Å; F48-M51 HydrophobicContact CE2-SD 4.38Å; F48-M51 HydrophobicContact CG-CB 4.07Å; F48-M51 HydrophobicContact CG-CE 4.34Å; F48-M51 HydrophobicContact CZ-CB 3.72Å; F48-M51 HydrophobicContact CZ-CE 4.3Å; F48-M51 HydrophobicContact CZ-CG 3.84Å; F48-M51 HydrophobicContact CZ-SD 3.52Å; F48-M51 VanDerWaalsContact CZ-SD 3.52Å; F48-M51 WeakPolarHBondContact O-CB 3.08Å; F48-M51 PolarHBondContact O-N 3.04Å; M51-T53 PolarHBondContact O-N 2.81Å
52G71.8Confident70.7Confident56 Ų56101.3 Ų101.358%0.57760%0.595SS**  trans-56.3137.2171.100000111.1L50 E54L50-G52 PolarHBondContact O-N 2.95Å; G52-E54 VanDerWaalsContact C-N 3.3Å
53T71.3Confident71.9Confident103 Ų103100.5 Ų100.563%0.63259%0.591SS**SBendtrans-76.8-21.9172.8460000112.4P47 M51P47-T53 HydrophobicContact CG-CG2 3.64Å; M51-T53 PolarHBondContact O-N 2.81Å
54E74.8Confident73.2Confident133 Ų133103.2 Ų103.262%0.62162%0.622SS**SBendtrans-70.3133.9167.6-161.4-155.6173.400109.4G52G52-E54 VanDerWaalsContact C-N 3.3Å
55P71.4Confident74.5Confident95 Ų95102.5 Ų102.562%0.61763%0.626SS**PPolyproline II helixtrans-56.8150.4160.827.7-35.2000109.5A57P55-A57 PolarHBondContact O-N 3.39Å; P55-A57 VanDerWaalsContact O-N 3.08Å
56P72.9Confident76Confident124 Ų124104.1 Ų104.181%0.80563%0.627SS**SBendtrans-50.8123.5173-23.933.2000109.5
57A72.9Confident77.2Confident70 Ų7099.4 Ų99.458%0.57961%0.607SS**PPolyproline II helixtrans-46124.4-172.200000110.3P55 D59P55-A57 PolarHBondContact O-N 3.39Å; P55-A57 VanDerWaalsContact O-N 3.08Å; A57-D59 PolarHBondContact O-N 2.97Å; A57-D59 VanDerWaalsContact O-N 3.12Å
58P69.7Low78.5Confident118 Ų118102.4 Ų102.477%0.76662%0.622SS**SBendtrans-60.7119.9-162.521.9-33.4000110.7
59D65.2Low79.6Confident144 Ų14498.3 Ų98.377%0.7761%0.605SS**  trans29.994.1171.8-60-28.9000115.3A57 A61A57-D59 PolarHBondContact O-N 2.97Å; A57-D59 VanDerWaalsContact O-N 3.12Å; D59-A61 PolarHBondContact O-N 3.49Å
60A77.3Confident80.8Confident73 Ų7394 Ų9460%0.60359%0.593SS**  trans-46.5111.4163.900000109.1L62 T63A60-L62 CarbonylContact O-C 3.42Å; A60-L62 VanDerWaalsContact O-C 3.25Å; A60-L62 PolarHBondContact O-N 3.14Å; A60-T63 VanDerWaalsContact O-CG2 3.26Å; A60-T63 WeakPolarHBondContact O-CG2 3.27Å; A60-T63 PolarHBondContact O-N 2.99Å
61A78.6Confident81.9Confident90 Ų9089.2 Ų89.274%0.74457%0.566SS**SBendtrans-57-15.5-163.500000114.8D59 K66D59-A61 PolarHBondContact O-N 3.49Å; A61-K66 PolarHBondContact O-NZ 3.05Å
62L87.4Confident83Confident66 Ų6693.8 Ų93.835%0.34658%0.581SS.*SBendtrans-118.990.3167.4-162.962.5000109.9A60 K66 L68 H71 Y72A60-L62 CarbonylContact O-C 3.42Å; A60-L62 VanDerWaalsContact O-C 3.25Å; A60-L62 PolarHBondContact O-N 3.14Å; L62-K66 HydrophobicContact CD1-CB 4.37Å; L62-K66 HydrophobicContact CD1-CD 3.58Å; L62-K66 HydrophobicContact CD1-CG 4.48Å; L62-L68 HydrophobicContact CD1-CD2 3.37Å; L62-L68 HydrophobicContact CD2-CD2 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.68Å; L62-H71 WeakPolarHBondContact CD1-ND1 3.3Å; L62-Y72 HydrophobicContact CD2-CE2 4.16Å; L62-Y72 WeakPolarHBondContact CD2-OH 3.28Å
63T86.6Confident84.2Confident67 Ų6793.7 Ų93.741%0.41158%0.58SS.*  trans-82.4156.6171.3680000110.7A60 A65 K66A60-T63 VanDerWaalsContact O-CG2 3.26Å; A60-T63 WeakPolarHBondContact O-CG2 3.27Å; A60-T63 PolarHBondContact O-N 2.99Å; T63-A65 PolarHBondContact O-N 3.49Å; T63-K66 WeakPolarHBondContact O-CB 3.32Å; T63-K66 PolarHBondContact O-N 3.4Å
64G89.8Confident85.4Confident93 Ų9393.1 Ų93.196%0.95957%0.573SS**THydrogen-bonded Turntrans-64.4-7.5174.900000115
65A90.7Very high86.4Confident98 Ų9889.9 Ų89.981%0.8156%0.558SS**THydrogen-bonded Turntrans-86.7-12.9173.700000113.3T63T63-A65 PolarHBondContact O-N 3.49Å
66K93.2Very high87.5Confident82 Ų8290.7 Ų90.736%0.35756%0.557SS.*SBendtrans-81.1131.7-179.7-155.1-177.4-151.1175.30109.9A61 L62 T63 L68 H71A61-K66 PolarHBondContact O-NZ 3.05Å; L62-K66 HydrophobicContact CD1-CB 4.37Å; L62-K66 HydrophobicContact CD1-CD 3.58Å; L62-K66 HydrophobicContact CD1-CG 4.48Å; T63-K66 WeakPolarHBondContact O-CB 3.32Å; T63-K66 PolarHBondContact O-N 3.4Å; K66-L68 PolarHBondContact O-N 3.06Å; K66-H71 HydrophobicContact CD-CB 4.32Å; K66-H71 WeakPolarHBondContact CE-CD2 3.44Å; K66-H71 PolarHBondContact NZ-CD2 3.05Å; K66-H71 PolarHBondContact NZ-NE2 2.89Å
67N94.3Very high88.4Confident67 Ų6786.7 Ų86.736%0.35853%0.534SS..  trans-66.3107.5171.6-175.3-6000109.6I69 E70 H71N67-I69 VanDerWaalsContact C-N 3.27Å; N67-I69 PolarHBondContact O-N 2.71Å; N67-I69 WeakPolarHBondContact OD1-CB 3.49Å; N67-I69 PolarHBondContact OD1-N 3.17Å; N67-E70 HydrophobicContact CB-CB 4.18Å; N67-E70 HydrophobicContact CB-CG 4.3Å; N67-E70 WeakPolarHBondContact ND2-CG 3.34Å; N67-E70 PolarHBondContact ND2-OE1 2.98Å; N67-E70 PolarHBondContact O-N 3Å; N67-H71 VanDerWaalsContact O-CB 3.3Å; N67-H71 WeakPolarHBondContact O-CB 3.15Å; N67-H71 PolarHBondContact O-N 3.21Å
68L95.1Very high89.5Confident88 Ų8889.1 Ų89.146%0.46153%0.53SS..Hα-helixtrans-67.2-28.3-178.4-55.4-173.7000112.5L62 K66 Y72L62-L68 HydrophobicContact CD1-CD2 3.37Å; L62-L68 HydrophobicContact CD2-CD2 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.68Å; K66-L68 PolarHBondContact O-N 3.06Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.45Å; L68-Y72 PolarHBondContact O-N 2.76Å; L68-Y72 VanDerWaalsContact O-N 3.17Å
69I95.1Very high90.6Very high50 Ų5089 Ų8926%0.25652%0.519SS..Hα-helixtrans-67.1-48.5178.6-59.5176.1000109.6N67 G73 L74 E75 Y78N67-I69 VanDerWaalsContact C-N 3.27Å; N67-I69 PolarHBondContact O-N 2.71Å; N67-I69 WeakPolarHBondContact OD1-CB 3.49Å; N67-I69 PolarHBondContact OD1-N 3.17Å; I69-G73 PolarHBondContact O-N 3.35Å; I69-L74 HydrophobicContact CG2-CB 4.11Å; I69-L74 PolarHBondContact O-N 3Å; I69-E75 HydrophobicContact CG2-CB 4.32Å; I69-E75 WeakPolarHBondContact CG2-OE2 3.3Å; I69-Y78 HydrophobicContact CD1-CD1 4.44Å; I69-Y78 HydrophobicContact CD1-CD2 4.06Å; I69-Y78 HydrophobicContact CD1-CE2 4.3Å; I69-Y78 HydrophobicContact CD1-CG 4.14Å; I69-Y78 HydrophobicContact CG2-CG 4.46Å
70E95.1Very high91.8Very high129 Ų12989 Ų8960%0.60351%0.512SS*.Hα-helixtrans-65-45.7174.3-73.1166.2-144.400111.6N67 Y72 G73N67-E70 HydrophobicContact CB-CB 4.18Å; N67-E70 HydrophobicContact CB-CG 4.3Å; N67-E70 WeakPolarHBondContact ND2-CG 3.34Å; N67-E70 PolarHBondContact ND2-OE1 2.98Å; N67-E70 PolarHBondContact O-N 3Å; E70-Y72 VanDerWaalsContact C-N 3.28Å; E70-Y72 PolarHBondContact O-N 2.94Å; E70-G73 PolarHBondContact O-N 3.3Å
71H94.7Very high92.3Very high82 Ų8291.7 Ų91.738%0.3851%0.51SS..Hα-helixtrans-56.9-38.5-176.9-177.1-110.5000113.8L62 K66 N67L62-H71 WeakPolarHBondContact CD1-ND1 3.3Å; K66-H71 HydrophobicContact CD-CB 4.32Å; K66-H71 WeakPolarHBondContact CE-CD2 3.44Å; K66-H71 PolarHBondContact NZ-CD2 3.05Å; K66-H71 PolarHBondContact NZ-NE2 2.89Å; N67-H71 VanDerWaalsContact O-CB 3.3Å; N67-H71 WeakPolarHBondContact O-CB 3.15Å; N67-H71 PolarHBondContact O-N 3.21Å
72Y95.7Very high92.7Very high141 Ų14191.4 Ų91.455%0.55350%0.502SS*.THydrogen-bonded Turntrans-9710.9178.2-66.9-66.5000113.3L62 L68 E70 L74L62-Y72 HydrophobicContact CD2-CE2 4.16Å; L62-Y72 WeakPolarHBondContact CD2-OH 3.28Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.45Å; L68-Y72 PolarHBondContact O-N 2.76Å; L68-Y72 VanDerWaalsContact O-N 3.17Å; E70-Y72 VanDerWaalsContact C-N 3.28Å; E70-Y72 PolarHBondContact O-N 2.94Å; Y72-L74 PolarHBondContact O-N 2.92Å
73G96.1Very high92.5Very high54 Ų5491.4 Ų91.456%0.55752%0.517SS*.THydrogen-bonded Turntrans6618.4179.200000114.6I69 E70 E75I69-G73 PolarHBondContact O-N 3.35Å; E70-G73 PolarHBondContact O-N 3.3Å; G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 3.36Å
74L96.9Very high92.4Very high91 Ų9195.9 Ų95.948%0.47653%0.531SS..THydrogen-bonded Turntrans-81.2-3-173.5-60.4178.4000113.6I69 Y72 N76 A77 Y78I69-L74 HydrophobicContact CG2-CB 4.11Å; I69-L74 PolarHBondContact O-N 3Å; Y72-L74 PolarHBondContact O-N 2.92Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.11Å; L74-A77 WeakPolarHBondContact O-CA 3.33Å; L74-A77 WeakPolarHBondContact O-CB 3.46Å; L74-A77 PolarHBondContact O-N 3.08Å; L74-Y78 PolarHBondContact O-N 3.08Å
75E95Very high92.1Very high65 Ų65103.4 Ų103.430%0.30453%0.531SS..Hα-helixtrans-51.7-46.3-178.7-173.753-138.800112.3I69 G73 A77 Y78 Q79I69-E75 HydrophobicContact CG2-CB 4.32Å; I69-E75 WeakPolarHBondContact CG2-OE2 3.3Å; G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 3.36Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.96Å; E75-Y78 PolarHBondContact O-N 2.96Å; E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 3.09Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.44Å; E75-Q79 PolarHBondContact OE1-NE2 2.95Å
76N94.3Very high91.8Very high112 Ų112103.4 Ų103.460%0.59952%0.516SS*.Hα-helixtrans-63.6-31176-77.2-37.9000113.6L74 K80L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.11Å; N76-K80 WeakPolarHBondContact O-CB 3.33Å; N76-K80 VanDerWaalsContact O-CD 3.29Å; N76-K80 WeakPolarHBondContact O-CD 3.43Å; N76-K80 WeakPolarHBondContact O-CG 3.45Å; N76-K80 PolarHBondContact O-N 3.34Å
77A93.6Very high91.4Very high40 Ų40107.8 Ų107.833%0.33153%0.531SS..Hα-helixtrans-77.5-44.5176.600000110.6L74 E75 Q79 K80 F81L74-A77 WeakPolarHBondContact O-CA 3.33Å; L74-A77 WeakPolarHBondContact O-CB 3.46Å; L74-A77 PolarHBondContact O-N 3.08Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.96Å; A77-Q79 PolarHBondContact O-N 2.91Å; A77-K80 PolarHBondContact O-N 2.77Å; A77-F81 HydrophobicContact CB-CD2 4.44Å; A77-F81 VanDerWaalsContact O-CD2 3.24Å; A77-F81 WeakPolarHBondContact O-CD2 2.97Å; A77-F81 PolarHBondContact O-N 2.92Å
78Y94.2Very high90.9Very high122 Ų122113.3 Ų113.348%0.47855%0.554SS.*Hα-helixtrans-56.3-50.3176-178.8-107.2000111.5I69 L74 E75 K80 F81 C82I69-Y78 HydrophobicContact CD1-CD1 4.44Å; I69-Y78 HydrophobicContact CD1-CD2 4.06Å; I69-Y78 HydrophobicContact CD1-CE2 4.3Å; I69-Y78 HydrophobicContact CD1-CG 4.14Å; I69-Y78 HydrophobicContact CG2-CG 4.46Å; L74-Y78 PolarHBondContact O-N 3.08Å; E75-Y78 PolarHBondContact O-N 2.96Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 2.84Å; Y78-F81 PolarHBondContact O-N 2.84Å; Y78-C82 HydrophobicContact CD2-CB 3.84Å; Y78-C82 VanDerWaalsContact CD2-SG 3.52Å; Y78-C82 HydrophobicContact CE2-CB 3.71Å; Y78-C82 HydrophobicContact CG-CB 4.47Å; Y78-C82 VanDerWaalsContact O-CB 3.25Å; Y78-C82 WeakPolarHBondContact O-CB 3.35Å; Y78-C82 PolarHBondContact O-N 2.71Å
79Q92.8Very high90.6Very high116 Ų116113.9 Ų113.954%0.54256%0.555SS.*Hα-helixtrans-60.8-39.5176.6-69-178.923.800113.1E75 A77E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 3.09Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.44Å; E75-Q79 PolarHBondContact OE1-NE2 2.95Å; A77-Q79 PolarHBondContact O-N 2.91Å
80K90.2Very high90.2Very high143 Ų143115.6 Ų115.662%0.62256%0.564SS**Hα-helixtrans-67.3-44.2-179.9-78.5172.4-173.5179.70113N76 A77 Y78N76-K80 WeakPolarHBondContact O-CB 3.33Å; N76-K80 VanDerWaalsContact O-CD 3.29Å; N76-K80 WeakPolarHBondContact O-CD 3.43Å; N76-K80 WeakPolarHBondContact O-CG 3.45Å; N76-K80 PolarHBondContact O-N 3.34Å; A77-K80 PolarHBondContact O-N 2.77Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 2.84Å
81F88Confident89.8Confident130 Ų130111.1 Ų111.157%0.5754%0.544SS*.Hα-helixtrans-101.9-31.6-168.7-63.6-66.5000114.3A77 Y78A77-F81 HydrophobicContact CB-CD2 4.44Å; A77-F81 VanDerWaalsContact O-CD2 3.24Å; A77-F81 WeakPolarHBondContact O-CD2 2.97Å; A77-F81 PolarHBondContact O-N 2.92Å; Y78-F81 PolarHBondContact O-N 2.84Å
82C88.5Confident89.5Confident84 Ų84108.8 Ų108.857%0.56854%0.539SS*.Hα-helixtrans-90.7-23.7179.8-58.10000113.1Y78 K84Y78-C82 HydrophobicContact CD2-CB 3.84Å; Y78-C82 VanDerWaalsContact CD2-SG 3.52Å; Y78-C82 HydrophobicContact CE2-CB 3.71Å; Y78-C82 HydrophobicContact CG-CB 4.47Å; Y78-C82 VanDerWaalsContact O-CB 3.25Å; Y78-C82 WeakPolarHBondContact O-CB 3.35Å; Y78-C82 PolarHBondContact O-N 2.71Å; C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 2.83Å
83G82.8Confident89.2Confident65 Ų65107.9 Ų107.967%0.6754%0.538SS*.SBendtrans-74.9-7.1-179.900000115.5
84K84.4Confident88.9Confident162 Ų162108.8 Ų108.870%0.70453%0.53SS*.SBendtrans-134.8150.4-175.5-65.4175.8-175.8172.30110.1C82 L86C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 2.83Å; K84-L86 PolarHBondContact O-N 3.47Å
85R82.6Confident88.4Confident250 Ų250108.9 Ų108.994%0.94354%0.536SS*.  trans-67.299.6167.4-68.7-173.167.6173.30.3108.5
86L84.2Confident88.1Confident98 Ų98114.6 Ų114.651%0.51356%0.562SS.*  trans-59.1142.5171.7-171.361.6000109.2K84 F93K84-L86 PolarHBondContact O-N 3.47Å; L86-F93 HydrophobicContact CD1-CZ 4.15Å
87R85.3Confident87.8Confident174 Ų174113.6 Ų113.666%0.65756%0.556SS**  trans-90.8125.2166.1-72.9-175.5175.1-178.4-2.5107.3A92 F93R87-A92 HydrophobicContact CB-CB 3.32Å; R87-A92 HydrophobicContact CG-CB 4.13Å; R87-F93 VanDerWaalsContact O-CE2 3.3Å; R87-F93 WeakPolarHBondContact O-CE2 3.44Å
88E85Confident87.3Confident183 Ų183116.6 Ų116.686%0.85558%0.575SS**  trans-85.4-16.7-178.7-65.1165.8-168.700112.1
89E88Confident86.6Confident101 Ų101111.1 Ų111.147%0.47256%0.555SS.*SBendtrans-62.1133.7175.6-64.9167.4174.100111.2N91 A92 F93E89-N91 HydrophobicContact CB-CB 4.48Å; E89-N91 PolarHBondContact O-N 3.48Å; E89-A92 VanDerWaalsContact O-CB 3.28Å; E89-A92 WeakPolarHBondContact O-CB 3.24Å; E89-A92 PolarHBondContact O-N 2.82Å; E89-F93 WeakPolarHBondContact O-CD2 3.15Å
90L87.5Confident86Confident85 Ų85108.9 Ų108.945%0.44555%0.547SS..G310 helixtrans-62.2-34.4176.6-176.762.8000111A92 F93 L94 I101 D102L90-A92 PolarHBondContact O-N 3.44Å; L90-A92 VanDerWaalsContact O-N 3.09Å; L90-F93 PolarHBondContact O-N 2.9Å; L90-L94 HydrophobicContact CD1-CD1 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.15Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.08Å; L90-I101 HydrophobicContact CD2-CB 4.42Å; L90-I101 HydrophobicContact CD2-CD1 4.3Å; L90-I101 HydrophobicContact CD2-CG1 4.4Å; L90-I101 HydrophobicContact CG-CD1 4.04Å; L90-I101 HydrophobicContact CG-CG1 4.4Å; L90-D102 WeakPolarHBondContact CA-OD1 3.3Å; L90-D102 WeakPolarHBondContact CB-OD1 3.4Å; L90-D102 PolarHBondContact N-OD1 2.86Å
91N86.9Confident85.8Confident36 Ų36103.9 Ų103.919%0.19353%0.527CS..G310 helixtrans-50.8-26.8168.9-94-41.8000114.4E89 I101 D102E89-N91 HydrophobicContact CB-CB 4.48Å; E89-N91 PolarHBondContact O-N 3.48Å; N91-I101 WeakPolarHBondContact OD1-CG1 3.39Å; N91-D102 WeakPolarHBondContact CB-OD2 3.28Å; N91-D102 PolarHBondContact N-OD1 3.06Å; N91-D102 VanDerWaalsContact ND2-CG 3.35Å; N91-D102 PolarHBondContact ND2-OD2 3.04Å
92A87.7Confident85.6Confident33 Ų33100.6 Ų100.627%0.27352%0.515SS..G310 helixtrans-78-23.9177.400000113.6R87 E89 L90R87-A92 HydrophobicContact CB-CB 3.32Å; R87-A92 HydrophobicContact CG-CB 4.13Å; E89-A92 VanDerWaalsContact O-CB 3.28Å; E89-A92 WeakPolarHBondContact O-CB 3.24Å; E89-A92 PolarHBondContact O-N 2.82Å; L90-A92 PolarHBondContact O-N 3.44Å; L90-A92 VanDerWaalsContact O-N 3.09Å
93F89Confident85.1Confident121 Ų121100.3 Ų100.353%0.53151%0.511SS..THydrogen-bonded Turntrans-92.3-23.1176.9-59.9-84.8000112.3L86 R87 E89 L90 P95L86-F93 HydrophobicContact CD1-CZ 4.15Å; R87-F93 VanDerWaalsContact O-CE2 3.3Å; R87-F93 WeakPolarHBondContact O-CE2 3.44Å; E89-F93 WeakPolarHBondContact O-CD2 3.15Å; L90-F93 PolarHBondContact O-N 2.9Å; F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.29Å
94L90.3Very high84.9Confident74 Ų74101.1 Ų101.139%0.38750%0.504SS..  trans-119.357.2179.3-60.3176.9000112.1L90 H96 L97 I101L90-L94 HydrophobicContact CD1-CD1 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.15Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.08Å; L94-H96 PolarHBondContact O-N 2.94Å; L94-L97 HydrophobicContact CB-CB 3.99Å; L94-L97 HydrophobicContact CB-CD2 4.41Å; L94-L97 HydrophobicContact CD1-CD2 3.88Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-I101 HydrophobicContact CB-CD1 3.8Å; L94-I101 HydrophobicContact CD1-CD1 3.99Å; L94-I101 HydrophobicContact CG-CD1 4.45Å
95P85.9Confident84.4Confident92 Ų9296.5 Ų96.560%0.59750%0.497SS*.THydrogen-bonded Turntrans-66.2-8.2-172.430.4-38.8000114.9F93F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.29Å
96H88.7Confident83.6Confident185 Ų18589.5 Ų89.586%0.85649%0.486SS*.THydrogen-bonded Turntrans-103.8-3.7177.7-56.2-53.7000113.1L94L94-H96 PolarHBondContact O-N 2.94Å
97L87.4Confident82.9Confident91 Ų9189.9 Ų89.948%0.47649%0.492SS..  trans-89.2118.4178.8-171.755.1000109.4L94 I101L94-L97 HydrophobicContact CB-CB 3.99Å; L94-L97 HydrophobicContact CB-CD2 4.41Å; L94-L97 HydrophobicContact CD1-CD2 3.88Å; L94-L97 PolarHBondContact O-N 3.47Å; L97-I101 HydrophobicContact CB-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 3.97Å; L97-I101 HydrophobicContact CD2-CG2 3.89Å; L97-I101 HydrophobicContact CG-CD1 4.41Å; L97-I101 HydrophobicContact CG-CG2 4.11Å
98S83Confident82.2Confident104 Ų10487.6 Ų87.673%0.72749%0.493SS*.  trans-78.5142.9178.556.30000112.1
99G81Confident81.6Confident6 Ų685.3 Ų85.36%0.06248%0.482CS..SBendtrans114.6-174174.900000112.4L152G99-L152 CarbonylContact C-O 3.54Å; G99-L152 WeakPolarHBondContact CA-O 3.4Å
100N80Confident80.9Confident70 Ų7084.9 Ų84.937%0.37449%0.49SS..  trans-97.490.2176.5-173.928000111V103 L152N100-V103 WeakPolarHBondContact O-CG2 3.4Å; N100-L152 PolarHBondContact N-O 3.06Å
101I84.7Confident80.7Confident37 Ų3781.7 Ų81.719%0.1948%0.478CS..  trans-93.7-5.6-177.265.1175000114.7L90 N91 L94 L97 V103L90-I101 HydrophobicContact CD2-CB 4.42Å; L90-I101 HydrophobicContact CD2-CD1 4.3Å; L90-I101 HydrophobicContact CD2-CG1 4.4Å; L90-I101 HydrophobicContact CG-CD1 4.04Å; L90-I101 HydrophobicContact CG-CG1 4.4Å; N91-I101 WeakPolarHBondContact OD1-CG1 3.39Å; L94-I101 HydrophobicContact CB-CD1 3.8Å; L94-I101 HydrophobicContact CD1-CD1 3.99Å; L94-I101 HydrophobicContact CG-CD1 4.45Å; L97-I101 HydrophobicContact CB-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 3.97Å; L97-I101 HydrophobicContact CD2-CG2 3.89Å; L97-I101 HydrophobicContact CG-CD1 4.41Å; L97-I101 HydrophobicContact CG-CG2 4.11Å; I101-V103 PolarHBondContact O-N 2.79Å; I101-V103 VanDerWaalsContact O-N 3.08Å
102D83.6Confident80.8Confident61 Ų6185.7 Ų85.733%0.32650%0.498SS..  trans-7920.9177.2-63-38.2000112.6L90 N91L90-D102 WeakPolarHBondContact CA-OD1 3.3Å; L90-D102 WeakPolarHBondContact CB-OD1 3.4Å; L90-D102 PolarHBondContact N-OD1 2.86Å; N91-D102 WeakPolarHBondContact CB-OD2 3.28Å; N91-D102 PolarHBondContact N-OD1 3.06Å; N91-D102 VanDerWaalsContact ND2-CG 3.35Å; N91-D102 PolarHBondContact ND2-OD2 3.04Å
103V80Confident80.8Confident78 Ų7889.8 Ų89.847%0.47351%0.513SS..  trans-80.6122.3178.6-1800000109.2N100 I101 A105N100-V103 WeakPolarHBondContact O-CG2 3.4Å; I101-V103 PolarHBondContact O-N 2.79Å; I101-V103 VanDerWaalsContact O-N 3.08Å; V103-A105 PolarHBondContact O-N 3.38Å
104P78.2Confident80.7Confident83 Ų8385.6 Ų85.654%0.53950%0.499SS..  trans-69.7131.5-17928.1-34.3000111.3S106P104-S106 PolarHBondContact O-N 2.8Å
105A72.6Confident80.6Confident65 Ų6586.6 Ų86.654%0.53750%0.504SS..THydrogen-bonded Turntrans-66.21.6-179.400000115.1V103 V107V103-A105 PolarHBondContact O-N 3.38Å; A105-V107 VanDerWaalsContact C-N 3.33Å; A105-V107 PolarHBondContact O-N 3.23Å
106S66.6Low80.8Confident103 Ų10387.3 Ų87.372%0.7250%0.502SS*.THydrogen-bonded Turntrans-82.1-2.6-174.760.60000114.7P104P104-S106 PolarHBondContact O-N 2.8Å
107V70.2Confident80.8Confident106 Ų10685.8 Ų85.864%0.64250%0.495SS*.SBendtrans-79.7-36.6-175.3-172.60000112A105A105-V107 VanDerWaalsContact C-N 3.33Å; A105-V107 PolarHBondContact O-N 3.23Å
108D70.4Confident80.8Confident125 Ų12589.4 Ų89.467%0.66850%0.503SS*.SBendtrans-119.113.5-165.1-54-35.9000114.6S110D108-S110 PolarHBondContact O-N 2.98Å
109E72.4Confident81Confident136 Ų13688 Ų8864%0.63649%0.491SS*.SBendtrans52.511.7-170.9-61.8-168.4-178.300115.3G111 S114 R118E109-G111 VanDerWaalsContact C-N 3.35Å; E109-G111 PolarHBondContact O-N 3.39Å; E109-S114 WeakPolarHBondContact O-CB 3.38Å; E109-S114 PolarHBondContact O-OG 2.86Å; E109-R118 IonicContact OE2-NH1 3.59Å
110S71.7Confident81Confident92 Ų9291.8 Ų91.864%0.64352%0.515SS*.  trans-88.13.2-171.360.30000114.6D108D108-S110 PolarHBondContact O-N 2.98Å
111G84.1Confident81Confident18 Ų1896.1 Ų96.119%0.18654%0.536CS..SBendtrans-72.5159.7-176.700000114.7E109 M113 S114 L115E109-G111 VanDerWaalsContact C-N 3.35Å; E109-G111 PolarHBondContact O-N 3.39Å; G111-M113 PolarHBondContact O-N 3.32Å; G111-M113 VanDerWaalsContact O-N 3.11Å; G111-S114 WeakPolarHBondContact O-CB 3.43Å; G111-S114 PolarHBondContact O-N 2.88Å; G111-L115 PolarHBondContact O-N 3.32Å
112L88.7Confident80.5Confident119 Ų119105 Ų10562%0.62357%0.567SS**Hα-helixtrans-53.8-33179-179.162.4000113.7L115 I116L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 3.44Å
113M87.7Confident79.9Confident119 Ų119105.6 Ų105.659%0.58659%0.588SS**Hα-helixtrans-63.8-42.7176.5-64.3-59.3105.600112G111 L115 I116 E117G111-M113 PolarHBondContact O-N 3.32Å; G111-M113 VanDerWaalsContact O-N 3.11Å; M113-L115 VanDerWaalsContact C-N 3.27Å; M113-L115 PolarHBondContact O-N 3.32Å; M113-I116 HydrophobicContact CE-CD1 3.7Å; M113-I116 PolarHBondContact O-N 2.99Å; M113-E117 WeakPolarHBondContact O-CG 3.33Å; M113-E117 PolarHBondContact O-N 3.37Å
114S87.7Confident79.7Confident33 Ų33110.6 Ų110.623%0.23160%0.603CS.*Hα-helixtrans-59.8-39.4175.4-177.70000111.4E109 G111 I116 E117 R118E109-S114 WeakPolarHBondContact O-CB 3.38Å; E109-S114 PolarHBondContact O-OG 2.86Å; G111-S114 WeakPolarHBondContact O-CB 3.43Å; G111-S114 PolarHBondContact O-N 2.88Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 3.25Å; S114-E117 PolarHBondContact O-N 3.19Å; S114-R118 WeakPolarHBondContact O-CB 3.25Å; S114-R118 PolarHBondContact O-N 3.47Å
115L88.3Confident79.8Confident95 Ų95115.3 Ų115.350%0.49762%0.618SS.*Hα-helixtrans-68.8-29.1175.5-165.871.5000113.5G111 L112 M113 R118 P119 P120G111-L115 PolarHBondContact O-N 3.32Å; L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.95Å; M113-L115 VanDerWaalsContact C-N 3.27Å; M113-L115 PolarHBondContact O-N 3.32Å; L115-R118 CarbonylContact O-C 3.57Å; L115-P119 VanDerWaalsContact O-CA 3.28Å; L115-P119 WeakPolarHBondContact O-CA 3.5Å; L115-P120 HydrophobicContact CD1-CG 3.58Å
116I89.2Confident80.4Confident108 Ų108120.2 Ų120.255%0.55463%0.634SS**Hα-helixtrans-77.2-43.2175-70.3166.3000110.7L112 M113 S114L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 3.44Å; M113-I116 HydrophobicContact CE-CD1 3.7Å; M113-I116 PolarHBondContact O-N 2.99Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 3.25Å
117E89.6Confident81.3Confident152 Ų152125.7 Ų125.771%0.7164%0.639SS**Hα-helixtrans-68-36.4177.3-71.4174.1-164.800112.2M113 S114M113-E117 WeakPolarHBondContact O-CG 3.33Å; M113-E117 PolarHBondContact O-N 3.37Å; S114-E117 PolarHBondContact O-N 3.19Å
118R87.9Confident82Confident168 Ų168126 Ų12663%0.63464%0.643SS**SBendtrans-124.674.2179-61.4178.7-178154.62.8109.6E109 S114 L115E109-R118 IonicContact OE2-NH1 3.59Å; S114-R118 WeakPolarHBondContact O-CB 3.25Å; S114-R118 PolarHBondContact O-N 3.47Å; L115-R118 CarbonylContact O-C 3.57Å
119P85.3Confident82.8Confident74 Ų74127 Ų12748%0.48164%0.642SS.*  trans-58.5137.1177.725-33.8000110L115 I121L115-P119 VanDerWaalsContact O-CA 3.28Å; L115-P119 WeakPolarHBondContact O-CA 3.5Å; P119-I121 PolarHBondContact O-N 2.87Å
120P82.5Confident83.7Confident86 Ų86122.6 Ų122.656%0.55863%0.629SS**  trans-53.3137.5178-27.335.2000111L115 R122L115-P120 HydrophobicContact CD1-CG 3.58Å; P120-R122 WeakPolarHBondContact O-CG 3.3Å; P120-R122 PolarHBondContact O-N 2.95Å
121I80.6Confident84.6Confident161 Ų161122.9 Ų122.983%0.82663%0.629SS**  trans-63.497.3-175.8-58174.6000109.1P119 G123P119-I121 PolarHBondContact O-N 2.87Å; I121-G123 PolarHBondContact O-N 3.33Å
122R73.2Confident84.9Confident223 Ų223125.3 Ų125.384%0.84264%0.642SS**THydrogen-bonded Turntrans-66.61.2-176.6-53.1-173-168.3166.63.6114.4P120 K124P120-R122 WeakPolarHBondContact O-CG 3.3Å; P120-R122 PolarHBondContact O-N 2.95Å; R122-K124 PolarHBondContact O-N 3.38Å
123G71.3Confident85Confident74 Ų74124.8 Ų124.876%0.76364%0.637SS**THydrogen-bonded Turntrans-69.3-7.5179.600000114.9I121I121-G123 PolarHBondContact O-N 3.33Å
124K75.2Confident85.2Confident182 Ų182122.5 Ų122.579%0.79163%0.627SS**SBendtrans-126.7122.3163.3-64.9-177.9-178.31790107.8R122R122-K124 PolarHBondContact O-N 3.38Å
125E81.2Confident85.4Confident183 Ų183125.7 Ų125.786%0.85564%0.641SS**  trans-57.5142.5170-173.8177.3-175.400109.6R127E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.39Å
126L83.7Confident85.4Confident167 Ų167128.1 Ų128.187%0.87465%0.65SS**  trans-70.685.9177.7-66.9179.2000109.6P128L126-P128 WeakPolarHBondContact O-CD 3.28Å
127R85.6Confident85.4Confident219 Ų219126.6 Ų126.683%0.82665%0.653SS**PPolyproline II helixtrans-60.8122.6176-176.7176.9179.91652.4109.3E125 F129E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.39Å; R127-F129 PolarHBondContact O-N 3.5Å
128P86.5Confident85.4Confident112 Ų112126.7 Ų126.773%0.72765%0.651SS**PPolyproline II helixtrans-62.6136.2174.525.3-33.1000110.2L126L126-P128 WeakPolarHBondContact O-CD 3.28Å
129F87.1Confident85.5Confident147 Ų147127.5 Ų127.565%0.64565%0.654SS**PPolyproline II helixtrans-67.2148.6174.1-66.8-78.1000110.7R127 L134R127-F129 PolarHBondContact O-N 3.5Å; F129-L134 HydrophobicContact CB-CD1 4.48Å; F129-L134 HydrophobicContact CB-CD2 3.85Å; F129-L134 HydrophobicContact CB-CG 4.05Å; F129-L134 HydrophobicContact CD2-CD2 4.17Å; F129-L134 HydrophobicContact CG-CD2 4.21Å
130A90.9Very high85.7Confident43 Ų43131.8 Ų131.836%0.35567%0.673SS.*PPolyproline II helixtrans-67.1141.5170.600000109.5S132 Q133A130-S132 PolarHBondContact O-N 3.41Å; A130-S132 VanDerWaalsContact O-N 3.12Å; A130-Q133 HydrophobicContact CB-CG 4.23Å; A130-Q133 WeakPolarHBondContact O-CB 3.3Å; A130-Q133 PolarHBondContact O-N 3.4Å
131P90Very high85.9Confident98 Ų98136.1 Ų136.164%0.63669%0.685SS**Hα-helixtrans-52.2-39.7-177-30.136000114Q133 L134 D135P131-Q133 PolarHBondContact O-N 2.97Å; P131-L134 WeakPolarHBondContact O-CB 3.47Å; P131-L134 PolarHBondContact O-N 3.24Å; P131-D135 PolarHBondContact O-N 3.44Å
132S91Very high86.4Confident68 Ų68134.8 Ų134.848%0.47669%0.687SS.*Hα-helixtrans-60-29.2176.253.60000114.3A130 H136A130-S132 PolarHBondContact O-N 3.41Å; A130-S132 VanDerWaalsContact O-N 3.12Å; S132-H136 PolarHBondContact O-CD2 2.98Å; S132-H136 PolarHBondContact O-N 3.35Å
133Q91.1Very high87.3Confident109 Ų109127.1 Ų127.151%0.50968%0.678SS.*Hα-helixtrans-71.5-37175.1-62.2178-5600111.2A130 P131 A137A130-Q133 HydrophobicContact CB-CG 4.23Å; A130-Q133 WeakPolarHBondContact O-CB 3.3Å; A130-Q133 PolarHBondContact O-N 3.4Å; P131-Q133 PolarHBondContact O-N 2.97Å; Q133-A137 VanDerWaalsContact O-CB 3.27Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.15Å
134L92.4Very high88.1Confident70 Ų70129.7 Ų129.737%0.36668%0.681SS.*Hα-helixtrans-71.2-44.5176.4-55.9173.5000110.4F129 P131 H136 A137 F138F129-L134 HydrophobicContact CB-CD1 4.48Å; F129-L134 HydrophobicContact CB-CD2 3.85Å; F129-L134 HydrophobicContact CB-CG 4.05Å; F129-L134 HydrophobicContact CD2-CD2 4.17Å; F129-L134 HydrophobicContact CG-CD2 4.21Å; P131-L134 WeakPolarHBondContact O-CB 3.47Å; P131-L134 PolarHBondContact O-N 3.24Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-N 3.39Å; L134-A137 PolarHBondContact O-N 3.17Å; L134-F138 HydrophobicContact CB-CD2 4.15Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE2 3.83Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.93Å
135D90.6Very high88.7Confident101 Ų101125.6 Ų125.654%0.5467%0.667SS.*Hα-helixtrans-55.8-40.7179.3-72.3-20.3000112.5P131 R139P131-D135 PolarHBondContact O-N 3.44Å; D135-R139 WeakPolarHBondContact O-CD 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å
136H88.3Confident89.1Confident145 Ų145120 Ų12067%0.67165%0.646SS**Hα-helixtrans-77.9-32.4176.1-70-62.4000113.2S132 L134S132-H136 PolarHBondContact O-CD2 2.98Å; S132-H136 PolarHBondContact O-N 3.35Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-N 3.39Å
137A88.9Confident89.4Confident76 Ų76120.5 Ų120.563%0.62864%0.644SS**Hα-helixtrans-74.7-32.9-17800000114.1Q133 L134Q133-A137 VanDerWaalsContact O-CB 3.27Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.15Å; L134-A137 PolarHBondContact O-N 3.17Å
138F90.4Very high89.3Confident154 Ų154116.1 Ų116.168%0.67563%0.633SS**SBendtrans-99.86.5-174.8-68.7-73.4000114.7L134 L140L134-F138 HydrophobicContact CB-CD2 4.15Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE2 3.83Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.93Å; F138-L140 PolarHBondContact O-N 2.72Å
139R90.3Very high89.2Confident185 Ų185116.4 Ų116.470%0.69862%0.621SS**  trans-76.690.9176.1-82.9166.386.1148.78.6111.5D135D135-R139 WeakPolarHBondContact O-CD 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å
140L88.1Confident89.1Confident165 Ų165111.5 Ų111.586%0.86461%0.607SS**PPolyproline II helixtrans-64136.2171-56.8-179.8000111F138F138-L140 PolarHBondContact O-N 2.72Å
141H88.5Confident88.7Confident177 Ų177112.9 Ų112.982%0.81961%0.614SS**PPolyproline II helixtrans-73.1143.8166.8-67.4-66.6000110.1G143H141-G143 PolarHBondContact O-N 2.76Å
142P90.1Very high88.2Confident132 Ų132111.7 Ų111.786%0.85760%0.602SS**SBendtrans-64.7127.3175.427.5-34.1000110.3
143G91.6Very high87.6Confident63 Ų63115.8 Ų115.865%0.64961%0.612SS**  trans-176.6166.7179.400000111.4H141H141-G143 PolarHBondContact O-N 2.76Å
144P89.5Confident86.7Confident128 Ų128113.4 Ų113.483%0.83161%0.61SS**PPolyproline II helixtrans-65.514117229.2-34000110.3
145L87.9Confident85.4Confident95 Ų95113.5 Ų113.550%0.49762%0.621SS.*PPolyproline II helixtrans-62.3133.9172.1-174.771.4000109.5A150 F153L145-A150 HydrophobicContact CD2-CB 4.46Å; L145-F153 HydrophobicContact CD2-CD2 3.71Å; L145-F153 HydrophobicContact CD2-CE2 4.08Å
146P89.6Confident83.9Confident65 Ų65110.9 Ų110.942%0.42261%0.614SS.*PPolyproline II helixtrans-55.6142.9176.2-25.233.8000112.2E148 Y149 A150P146-E148 HydrophobicContact CB-CG 4.14Å; P146-E148 PolarHBondContact O-N 3.42Å; P146-Y149 HydrophobicContact CB-CD2 3.87Å; P146-Y149 HydrophobicContact CB-CE2 4.24Å; P146-Y149 HydrophobicContact CG-CD2 4.03Å; P146-Y149 HydrophobicContact CG-CE2 4.3Å; P146-Y149 PolarHBondContact O-N 2.77Å; P146-A150 PolarHBondContact O-N 2.94Å
147Q88.3Confident82.4Confident179 Ų179109.7 Ų109.784%0.83662%0.619SS**Hα-helixtrans-60.9-31.2-169.3-1731743.900113.4A150Q147-A150 PolarHBondContact O-N 3Å
148E84.9Confident80.9Confident126 Ų126110.6 Ų110.659%0.58962%0.621SS**Hα-helixtrans-56.8-50.417359.9-157.3-161.700112P146 S151P146-E148 HydrophobicContact CB-CG 4.14Å; P146-E148 PolarHBondContact O-N 3.42Å; E148-S151 PolarHBondContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.05Å
149Y84.2Confident79.3Confident119 Ų119112.1 Ų112.147%0.46763%0.627SS.*Hα-helixtrans-75.6-28.2178.4-53.2-62.5000113.1P146 S151 L152 F153P146-Y149 HydrophobicContact CB-CD2 3.87Å; P146-Y149 HydrophobicContact CB-CE2 4.24Å; P146-Y149 HydrophobicContact CG-CD2 4.03Å; P146-Y149 HydrophobicContact CG-CE2 4.3Å; P146-Y149 PolarHBondContact O-N 2.77Å; Y149-S151 PolarHBondContact O-N 2.88Å; Y149-S151 VanDerWaalsContact O-N 3.14Å; Y149-L152 HydrophobicContact CD1-CD1 4.11Å; Y149-L152 WeakPolarHBondContact O-CB 3.14Å; Y149-L152 PolarHBondContact O-N 3.24Å; Y149-F153 VanDerWaalsContact O-CD2 3.3Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å
150A85.7Confident77.4Confident43 Ų43110.9 Ų110.936%0.35563%0.629SS.*Hα-helixtrans-56.5-30.6175.700000112.4L145 P146 Q147 L152 A154L145-A150 HydrophobicContact CD2-CB 4.46Å; P146-A150 PolarHBondContact O-N 2.94Å; Q147-A150 PolarHBondContact O-N 3Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.06Å; A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.48Å
151S81.6Confident75.6Confident73 Ų73109.9 Ų109.951%0.5162%0.623SS.*Hα-helixtrans-69-26176.175.40000114.6E148 Y149E148-S151 PolarHBondContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.05Å; Y149-S151 PolarHBondContact O-N 2.88Å; Y149-S151 VanDerWaalsContact O-N 3.14Å
152L78.8Confident73.5Confident72 Ų72109.6 Ų109.638%0.37762%0.622SS.*Hα-helixtrans-76.5-37.5179.5-62.5171.1000111.9G99 N100 Y149 A150G99-L152 CarbonylContact C-O 3.54Å; G99-L152 WeakPolarHBondContact CA-O 3.4Å; N100-L152 PolarHBondContact N-O 3.06Å; Y149-L152 HydrophobicContact CD1-CD1 4.11Å; Y149-L152 WeakPolarHBondContact O-CB 3.14Å; Y149-L152 PolarHBondContact O-N 3.24Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.06Å
153F78.7Confident71.4Confident155 Ų155114 Ų11468%0.6862%0.621SS**Hα-helixtrans-89.3-15.8179.5-60.8-74.7000113.6L145 Y149 A155L145-F153 HydrophobicContact CD2-CD2 3.71Å; L145-F153 HydrophobicContact CD2-CE2 4.08Å; Y149-F153 VanDerWaalsContact O-CD2 3.3Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å; F153-A155 PolarHBondContact O-N 3.05Å
154A73Confident69Low58 Ų58115 Ų11548%0.47962%0.618SS.*SBendtrans-57.6113.2166.500000108.5A150 A156A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.48Å; A154-A156 PolarHBondContact O-N 2.88Å
155A63.8Low67.1Low73 Ų73115.5 Ų115.560%0.60362%0.618SS**  trans-54.6128.4175.600000109F153F153-A155 PolarHBondContact O-N 3.05Å
156A59.5Low65.3Low46 Ų46119.1 Ų119.138%0.3863%0.633SS.*  trans-49128.4175.600000108.5A154 S158A154-A156 PolarHBondContact O-N 2.88Å; A156-S158 PolarHBondContact O-N 3Å
157P57.5Low63Low119 Ų119123.4 Ų123.477%0.77365%0.652SS**  trans-57111.6-164.920-32.7000109.4K159P157-K159 PolarHBondContact O-N 2.98Å
158S57.7Low61Low96 Ų96123.4 Ų123.467%0.67165%0.652SS**  trans-58.6110.3-171.4-176.90000108.8A156 H160A156-S158 PolarHBondContact O-N 3Å; S158-H160 PolarHBondContact O-N 3.1Å
159K56.1Low59.1Low186 Ų186126.8 Ų126.881%0.80967%0.668SS**  trans-7358.5170-64.3173.2-172.9162.40108P157 I161P157-K159 PolarHBondContact O-N 2.98Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.23Å
160H49.9Very low56.9Low158 Ų158129.7 Ų129.773%0.73169%0.686SS**  trans-70.592.2179.8-144.9-75.7000107.3S158 H162S158-H160 PolarHBondContact O-N 3.1Å; H160-H162 PolarHBondContact O-N 2.82Å
161I50.3Low54.6Low145 Ų145135.5 Ų135.574%0.74471%0.71SS**  trans-55.2108.9170.8-65173.3000105.6K159 R163K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.23Å; I161-R163 PolarHBondContact O-N 3.03Å
162H45.7Very low52.7Low171 Ų171141.3 Ų141.379%0.79273%0.731SS**  trans-71.380.9178.4-153.2-87.1000107.7H160 S164H160-H162 PolarHBondContact O-N 2.82Å; H162-S164 PolarHBondContact O-N 3.17Å
163R44.6Very low50.7Low225 Ų225142 Ų14285%0.84976%0.755SS**  trans-69.986.3175.5-152.2-179.8-155.6-93.44.1106.2I161 V165I161-R163 PolarHBondContact O-N 3.03Å; R163-V165 PolarHBondContact O-N 3.09Å
164S42.4Very low49Very low82 Ų82139.5 Ų139.557%0.57376%0.757SS**  trans-58.6103.8-17550.40000110.1H162 Q166H162-S164 PolarHBondContact O-N 3.17Å; S164-Q166 PolarHBondContact O-N 3.08Å
165V49.9Very low47.5Very low139 Ų139144.7 Ų144.784%0.84278%0.777SS**  trans-75.573.7164.9-174.70000107.1R163R163-V165 PolarHBondContact O-N 3.09Å
166Q48.8Very low46.4Very low171 Ų171144.8 Ų144.880%0.79979%0.785SS**  trans-133.849.7174.6-83.6-169.5-28.100109.8S164S164-Q166 PolarHBondContact O-N 3.08Å
167D42.2Very low45.6Very low155 Ų155149.7 Ų149.783%0.82981%0.81SS**SBendtrans-147.347169.8-95.1-36.4000110.3
168Q46.6Very low45Very low180 Ų180147.9 Ų147.984%0.84181%0.813SS**SBendtrans-153.448.4167.1-156.5171.899.800112
169Q43.3Very low44.3Very low196 Ų196149.8 Ų149.892%0.91682%0.821SS**  trans-158.852.3171.5-119164.887.200111.5
170Q38.7Very low43.7Very low181 Ų181152.3 Ų152.385%0.84683%0.826SS**  trans-122.881.1163.8-83.1-168.164.800108.9
171L38.5Very low43.8Very low165 Ų165151.4 Ų151.486%0.86483%0.831SS**SBendtrans-171.9135.8162.9-100.7156.4000106.1
172M40.3Very low43.8Very low195 Ų195150.3 Ų150.396%0.96183%0.833SS**  trans72.4105.9-176.1-47.1-166.174.400116.1
173G37.8Very low43.8Very low85 Ų85146.3 Ų146.388%0.87683%0.829SS**  trans174.487.4172.400000111.2
174S43.3Very low43.9Very low103 Ų103142.3 Ų142.372%0.7283%0.83SS**  trans-117.8144175.763.60000112.1
175N40.4Very low43.9Very low168 Ų168142.1 Ų142.190%0.89883%0.834SS**  trans65.1127.3156.1-56.6-10.6000119
176G40.9Very low43.9Very low75 Ų75141.9 Ų141.977%0.77383%0.832SS**  trans164.838.1175.500000116
177T43.5Very low43.7Very low148 Ų148139.4 Ų139.491%0.90883%0.831SS**  trans-23.9131.5161.748.90000117.6
178G43.3Very low43.5Very low81 Ų81135.4 Ų135.484%0.83583%0.827SS**  trans-175.6106.9166.400000113.9
179T43.6Very low43.4Very low136 Ų136135.7 Ų135.783%0.83483%0.833SS**  trans-110.2142.7-167.723.30000114.9
180R43.3Very low43.1Very low240 Ų240132 Ų13291%0.90683%0.829SS**  trans172.2103.6139.7-96.3164.4-170.5-113.12.9109.1
181V51.9Low43.4Very low139 Ų139128.8 Ų128.884%0.84283%0.826SS**  96.413875.4160.70000112
182P51.8Low43.7Very low122 Ų122126.5 Ų126.579%0.79282%0.824SS**  trans-126177.9-15141.7-25.9000116.3
183A44.5Very low43.7Very low86 Ų86119.6 Ų119.671%0.71180%0.803SS**  trans-148117.9159.400000109.7
184T46.1Very low43.8Very low142 Ų142120.5 Ų120.587%0.87180%0.796SS**  51.3131.192.432.80000115.9
185A42.3Very low44.3Very low78 Ų78124.7 Ų124.765%0.64580%0.802SS**  cis-169.2158.1-8.200000113.1
186V49.9Very low44.2Very low134 Ų134125 Ų12581%0.81280%0.798SS**  trans73.4142.9137.6169.60000119.3
187P45.6Very low44.7Very low118 Ų118132.5 Ų132.577%0.76680%0.802SS**  cis-142.9162.9-37.141.8-23.2000116.5
188G37.6Very low44.7Very low72 Ų72136.1 Ų136.174%0.74280%0.799SS**  trans82.1105.1132.600000122
189L45.7Very low45Very low185 Ų185144.5 Ų144.597%0.96981%0.806SS**  -153.3125.7116-150.774.1000110.2
190S36.1Very low45.4Very low120 Ų120148 Ų14884%0.83980%0.804SS**  trans-142132.6-178.6540000112.2
191S45.9Very low45.6Very low113 Ų113146.9 Ų146.979%0.7980%0.8SS**  trans-160.2102.4161-166.40000106.4
192S44.9Very low45.6Very low116 Ų116148.5 Ų148.581%0.81180%0.798SS**  74.7124.873.3-165.20000112.1
193G39.6Very low45.2Very low51 Ų51148.6 Ų148.653%0.52679%0.787SS.*  cis-156.1141.77.900000114.9
194S40.2Very low45.8Very low104 Ų104151.2 Ų151.273%0.72779%0.794SS**  trans-85.5119.1163.71770000109H196S194-H196 PolarHBondContact O-N 3Å
195F52.6Low45.7Very low190 Ų190152.5 Ų152.583%0.83379%0.79SS**  trans-94.881.7176.8-72.1-72.4000111.8R197F195-R197 PolarHBondContact O-N 2.92Å
196H40.1Very low46.1Very low176 Ų176160.2 Ų160.282%0.81580%0.803SS**  trans-77.3105.6153.9-76-11000109.9S194S194-H196 PolarHBondContact O-N 3Å
197R49.5Very low45.8Very low231 Ų231157.1 Ų157.187%0.87280%0.798SS**  trans-135.498.4160.1-85.5-163.5176.6-163.80.9112.8F195F195-R197 PolarHBondContact O-N 2.92Å
198R43.5Very low45.5Very low224 Ų224156.2 Ų156.285%0.84580%0.8SS**  trans22.2103.9138.8-76.2174.4155.3-179.9-7.9116.2R200R198-R200 PolarHBondContact O-N 2.81Å
199R49.6Very low46Very low258 Ų258161 Ų16197%0.97481%0.808SS**  trans-60.2104.2148-96.8-175.3172.9-171.6-2108.2
200R52.8Low46Very low209 Ų209156.9 Ų156.979%0.78980%0.8SS**  trans-76.5120.1157.5-82.2-171.7169.2-178.3-3.2107.5R198R198-R200 PolarHBondContact O-N 2.81Å
201R47.3Very low46.3Very low217 Ų217157.1 Ų157.182%0.81980%0.802SS**  trans-57137.6155.7-76.4179.9166.3-157.6-1.6107.4
202H53Low46.2Very low173 Ų173154.8 Ų154.880%0.80180%0.795SS**  trans-105.7108.3158.5-117-78.2000107.6
203E42.6Very low46.2Very low123 Ų123154.1 Ų154.158%0.57579%0.791SS**  trans-53.1131.2165.4-133.474.3-170.500109
204V56.9Low46.4Very low142 Ų142158.8 Ų158.886%0.86180%0.803SS**  trans-106.776.8165-174.60000107.6
205H43.4Very low46.7Very low168 Ų168158.9 Ų158.978%0.77880%0.804SS**  trans-81.5115.2163.5-89.6-59.4000109.6
206R51.1Low46.3Very low241 Ų241154.7 Ų154.791%0.90980%0.798SS**  trans-137.2136.3147.2-129.3177.8-177.7-179.2-0.3107.3
207G44.5Very low46.6Very low69 Ų69151.5 Ų151.571%0.71180%0.796SS**  trans-59.1153.2-168.100000113.1
208A39.2Very low46.6Very low98 Ų98145.7 Ų145.781%0.8179%0.791SS**  cis57.495.944.900000112.2
209L47.5Very low46.9Very low174 Ų174143.4 Ų143.491%0.91179%0.794SS**  -179.6141.5122.6-91.5176.2000110.1
210A45.1Very low46.6Very low97 Ų97134.7 Ų134.780%0.80278%0.784SS**  trans58.4127.5171.300000117.9
211S44.2Very low46.4Very low126 Ų126131.2 Ų131.288%0.88179%0.786SS**  cis101.9128.231.3-175.10000112.7
212G43.4Very low46.4Very low63 Ų63126.9 Ų126.965%0.64979%0.786SS**  trans96.7107.1176.400000112.7
213S44.9Very low45.9Very low103 Ų103122.3 Ų122.372%0.7279%0.786SS**  90.5114.253.770.80000113.4
214D43.2Very low46.2Very low148 Ų148123.9 Ų123.979%0.79180%0.803SS**  trans82.4113.5136.7-56.4-9000121.9
215S45.7Very low45.4Very low106 Ų106120.9 Ų120.974%0.74180%0.801SS**  97.3127.7123.4-64.70000123.2
216S44.9Very low45.1Very low102 Ų102116.8 Ų116.871%0.71380%0.804SS**  trans76105.2133.659.70000122.8
217S45.7Very low44.8Very low109 Ų109112.7 Ų112.776%0.76281%0.806SS**  55.5121.4124.366.30000123.2
218S51.2Low44.6Very low110 Ų110113 Ų11377%0.76981%0.808SS**  168.211812043.60000109.9
219I47.9Very low44.8Very low176 Ų176114.3 Ų114.390%0.90381%0.812SS**  59.8106.696.4-59.6173.6000114.2
220G43.9Very low44.2Very low75 Ų75109.5 Ų109.577%0.77380%0.804SS**  trans-177.9126.1169.500000110.8
221V48.8Very low44Very low135 Ų135112.8 Ų112.882%0.81881%0.808SS**  trans-112-175.6-165.8-146.20000111
222P47.1Very low43.7Very low127 Ų127113.1 Ų113.183%0.82581%0.805SS**  -106.5167.4-103.939.2-25.7000115.8
223G42.1Very low43.4Very low77 Ų77115.2 Ų115.279%0.79481%0.81SS**  trans-151.289176.600000115.3
224V48.9Very low43Very low155 Ų155114.7 Ų114.794%0.93981%0.811SS**  trans14.2123.2153.3-172.70000120.3
225G40.6Very low42.9Very low80 Ų80113 Ų11383%0.82581%0.811SS**  trans113.1140.1135.600000117.8
226G37.2Very low42.9Very low81 Ų81113.7 Ų113.784%0.83581%0.813SS**  trans128.673.7163.800000116.8
227V45.8Very low42.6Very low156 Ų156113.1 Ų113.195%0.94581%0.814SS**  trans-44.4147.6160.8-88.40000114.3
228G39Very low42.3Very low74 Ų74111.7 Ų111.776%0.76381%0.805SS**  trans146.773.7150.400000118.5
229S44.5Very low41.7Very low127 Ų127114.9 Ų114.989%0.88881%0.805SS**  trans21.3112.3150.2-52.70000119.9
230G33.7Very low41.3Very low73 Ų73115.8 Ų115.875%0.75380%0.803SS**  trans-77.6161.5160.900000112.9
231N41Very low41Very low165 Ų165118.1 Ų118.188%0.88280%0.802SS**  trans-152.8104.8145.4-1257.4000112.3
232V39.2Very low40.2Very low133 Ų133115 Ų11581%0.80680%0.797SS**  trans-62.5160.1149.8-88.70000109.6
233S36.2Very low39.9Very low108 Ų108113.6 Ų113.676%0.75580%0.796SS**  cis-159.8150.60.1165.40000110.2
234A37.4Very low40Very low91 Ų91116 Ų11675%0.75280%0.798SS**  trans26.9120.9152.100000122.9
235S40.7Very low39.6Very low112 Ų112115.2 Ų115.278%0.78379%0.794SS**  trans-74165.1144.8-51.70000111.3
236P45.7Very low39.5Very low121 Ų121115.5 Ų115.579%0.78679%0.788SS**  -135.7146.889.414.19000113.1
237A39Very low39.6Very low90 Ų90122.5 Ų122.574%0.74479%0.791SS**  5313681.100000114.1
238S39.1Very low39.6Very low80 Ų80121.1 Ų121.156%0.55979%0.785SS**  cis-172.9160.7-5.631.90000107.5
239F38.2Very low39.7Very low176 Ų176126 Ų12677%0.77279%0.788SS**  152.1157.5101.9-83.1-66.8000110.8
240F39.9Very low39.3Very low195 Ų195127.9 Ų127.986%0.85579%0.787SS**  trans62.4144.9148.2-92.3-134.4000118.7
241T36.5Very low39.5Very low125 Ų125128.2 Ų128.277%0.76779%0.791SS**  cis-137.8-176.2-15.651.60000106.1
242G32.8Very low39.2Very low69 Ų69124.8 Ų124.871%0.71179%0.785SS**  cis137.7135.239.400000107.2
243A39.6Very low39.3Very low97 Ų97125 Ų12580%0.80279%0.787SS**PPolyproline II helixtrans-93.7161.2-177.400000112.3
244P44.3Very low39.2Very low128 Ų128127.7 Ų127.783%0.83179%0.787SS**PPolyproline II helixtrans-98.7136.5148.833.5-26.6000111
245T41.6Very low39.4Very low139 Ų139130.4 Ų130.485%0.85380%0.795SS**PPolyproline II helixtrans-84.5161.9-179.3-490000111.1
246A39.3Very low39.2Very low86 Ų86131.9 Ų131.971%0.71180%0.799SS**PPolyproline II helixtrans-58.4153.6-179.300000115
247Y38.9Very low39.1Very low228 Ų228130.9 Ų130.989%0.89480%0.801SS**PPolyproline II helixtrans-55.8139.1168.4-64.4-95.7000112.7
248P46Very low39.1Very low126 Ų126132.1 Ų132.182%0.81880%0.804SS**PPolyproline II helixtrans-95152.4151.934.5-28.7000111.8
249Q40.3Very low39.5Very low177 Ų177136.3 Ų136.383%0.82782%0.819SS**PPolyproline II helixtrans-84.7139.9-170.8173.2-179.5-7.400112.9
250L36.1Very low39.6Very low167 Ų167133.5 Ų133.587%0.87482%0.821SS**  trans26.6124.6152.1-60.2167.4000120.2
251G37.5Very low39.9Very low80 Ų80129.6 Ų129.683%0.82582%0.818SS**  trans-168.494.5160.900000111.2
252A35.8Very low40.4Very low93 Ų93133.3 Ų133.377%0.76982%0.824SS**  trans-91.1132.6-177.100000112.1
253V40.9Very low40.7Very low138 Ų138134.8 Ų134.884%0.83682%0.823SS**  trans-141.4142.9156.7-170.20000108.7
254H34.4Very low41.1Very low163 Ų163139 Ų13976%0.75583%0.828SS**  trans-91.1147.1-169.4-45.3-93.9000111.9
255T41.7Very low41.2Very low149 Ų149138.6 Ų138.691%0.91482%0.824SS**  trans-143110.1156.72.10000110.6
256T36.7Very low41.4Very low143 Ų143136.9 Ų136.988%0.87782%0.817SS**  trans-82.8126.1174.948.40000110.4
257A43.5Very low41.5Very low99 Ų99140.7 Ų140.782%0.81882%0.82SS**  trans-129.8107.4164.800000108.9
258S38.6Very low41.5Very low116 Ų116134.7 Ų134.781%0.81181%0.812SS**  trans-82.9130.1174.251.20000110.1
259L48Very low41.5Very low169 Ų169136.7 Ų136.789%0.88581%0.81SS**  trans-123.2103.7163.1-77.2173000108.8
260S39.2Very low41.5Very low116 Ų116134.5 Ų134.581%0.81181%0.809SS**  trans-80.8124.6171.6178.20000109.1
261S46.8Very low42.1Very low114 Ų114134.2 Ų134.280%0.79781%0.807SS**  trans-134.8136.6171.6-73.20000109.3
262K46.3Very low42.2Very low202 Ų202136.3 Ų136.388%0.87881%0.809SS**  trans-82.3151.2-159.6-69.1167.8178173.20113.5
263S40Very low42.6Very low100 Ų100137.2 Ų137.270%0.69981%0.81SS**  trans-50137.4166.6174.40000113
264M48.2Very low42.7Very low185 Ų185135.9 Ų135.991%0.91181%0.806SS**  trans-126.7131.2146.1-72.5-138.175.400109.2
265V45.2Very low43.3Very low121 Ų121136.3 Ų136.373%0.73381%0.814SS**  trans-90.6129.6178.8169.90000109.1
266S45.3Very low43.2Very low102 Ų102134 Ų13471%0.71380%0.804SS**  trans-164.5130.6147.1-92.40000114.8
267Q43Very low43.6Very low167 Ų167134.7 Ų134.778%0.7880%0.8SS**  trans71.2120146.1-60.1-175.21900120.1
268S38.9Very low43.5Very low102 Ų102136.1 Ų136.171%0.71380%0.799SS**  trans-87.9132.8177.649.10000112.3
269H45.7Very low43.9Very low168 Ų168137.2 Ų137.278%0.77880%0.801SS**  trans-131.4108.3155.5-61.1-63.7000109.5
270T40.2Very low44Very low131 Ų131134.8 Ų134.880%0.80480%0.798SS**  trans-82.5120.4172.747.20000109.8
271L48Very low44.6Very low161 Ų161133.5 Ų133.584%0.84379%0.794SS**  trans-124.5110.9163.2-71.1176.8000109
272S39.5Very low45.1Very low124 Ų124134 Ų13487%0.86780%0.795SS**  trans-80.8122.4168.6-66.40000109.4
273S43.7Very low45.3Very low111 Ų111130.2 Ų130.278%0.77679%0.792SS**  trans-118.288.8172.1-63.30000109.5L275S273-L275 PolarHBondContact O-N 2.85Å
274S43.5Very low46Very low110 Ų110132.2 Ų132.277%0.76980%0.801SS**  trans-76.3111.7172.451.10000110.3S276S274-S276 PolarHBondContact O-N 3.49Å
275L47.9Very low45.9Very low173 Ų173131.1 Ų131.191%0.90680%0.798SS**  trans-87.192.1170.2-73.6170.6000109.9S273S273-L275 PolarHBondContact O-N 2.85Å
276S39.8Very low45.8Very low101 Ų101131.4 Ų131.471%0.70680%0.8SS**  trans-82.1124169.650.50000110.8S274S274-S276 PolarHBondContact O-N 3.49Å
277I43.6Very low45.8Very low156 Ų156132.3 Ų132.380%0.880%0.802SS**  trans-77.3126.7174.3-61166.7000109
278T41.4Very low46Very low130 Ų130132.9 Ų132.980%0.79881%0.807SS**  trans-124.597.7166.7460000110.4
279T47.2Very low46.1Very low138 Ų138132.6 Ų132.685%0.84781%0.805SS**  trans-80.9113.8162.522.90000109.2
280S50.6Low46Very low119 Ų119131 Ų13183%0.83280%0.802SS**  trans-99.2125.7169.247.10000110.4
281A52.3Low46.2Very low88 Ų88132.8 Ų132.873%0.72780%0.801SS**  trans-126.8127.9168.400000108.3
282P56.5Low46.2Very low125 Ų125129.6 Ų129.681%0.81279%0.792SS**  trans-92.6110.5174.332.8-28.1000110.4
283C51.1Low46.6Very low122 Ų122128.3 Ų128.382%0.82478%0.783SS**PPolyproline II helixtrans-92.9122.2163.7-61.90000108.4
284T55.1Low46.8Very low142 Ų142130.3 Ų130.387%0.87179%0.785SS**PPolyproline II helixtrans-84.2158.9178.439.40000112.7
285N45.6Very low46.8Very low162 Ų162128.8 Ų128.887%0.86678%0.779SS**PPolyproline II helixtrans-73.4155.4-158.1-79-29.5000116.8
286V42.4Very low46.9Very low127 Ų127127.8 Ų127.877%0.7777%0.774SS**PPolyproline II helixtrans-68.2145.5165.4178.20000111
287T45.9Very low47.4Very low122 Ų122128.7 Ų128.775%0.74877%0.771SS**  trans-131114.9156-61.70000109
288M46.1Very low47.8Very low179 Ų179127.5 Ų127.588%0.88277%0.766SS**  trans-138.4133.4166.8-86.4-69.8141.200107.7
289S40.8Very low48.2Very low96 Ų96128.7 Ų128.767%0.67177%0.768SS**  trans-138.7121.2-173.640.90000111
290N43.6Very low48.5Very low135 Ų135127.5 Ų127.572%0.72276%0.763SS**  trans-176.2130.2133.2-99.7-25.9000112.4
291Q45.1Very low48.8Very low168 Ų168128.6 Ų128.679%0.78576%0.764SS**  49.2135.2129.4-61178.361.400119.2
292S47.7Very low48.5Very low94 Ų94129.8 Ų129.866%0.65776%0.762SS**  cis-171.6162.41045.20000111.5
293S48.7Very low47.9Very low97 Ų97132.1 Ų132.168%0.67876%0.762SS**  trans62.1143.1155.642.20000118.8
294N47.3Very low47.6Very low152 Ų152132.2 Ų132.281%0.81376%0.759SS**  cis-161.4151.44.3-106-11.9000112.3
295A43.9Very low47.3Very low79 Ų79131.3 Ų131.365%0.65375%0.753SS**  trans72.9126138.100000123.8
296L51Low47.3Very low152 Ų152130.6 Ų130.680%0.79675%0.749SS**  trans71.8140148.4-55157.1000117.3
297D50.1Low47.5Very low119 Ų119133.5 Ų133.564%0.63675%0.754SS**  cis-158.1148.21.4-127.3-9.8000114
298N51.8Low47.7Very low132 Ų132133.2 Ų133.271%0.70676%0.757SS**  trans53.2113145.6-64.3-39.5000125.7
299N48.7Very low48Very low154 Ų154134 Ų13482%0.82476%0.755SS**  94123.5125.5-118-17.1000122.6
300P53.5Low48.4Very low114 Ų114137.5 Ų137.574%0.7477%0.766SS**  trans-113.5168.2174.441.5-32.6000114.9
301V56.8Low49.3Very low141 Ų141136.9 Ų136.986%0.85577%0.766SS**  trans-136.8136.9166.4176.40000112.5
302T47.8Very low50.1Low114 Ų114136 Ų13670%0.69977%0.767SS**  trans-53.7154.4175.750.20000115.8
303Q42.3Very low50.7Low174 Ų174139.7 Ų139.781%0.81377%0.774SS**  -165.5137.663.5-80-173-17.800112.3
304V44.9Very low51.4Low124 Ų124140.9 Ų140.975%0.75278%0.779SS**  56.4122.1101.8-160.80000117.2
305V49Very low51.8Low122 Ų122139.9 Ų139.974%0.73978%0.781SS**  166.4119.9121.9160.70000113.4
306N46Very low52.1Low147 Ų147139.5 Ų139.579%0.78679%0.785SS**  trans62.8147.8151.6-71.7-18.6000125.1
307H46.1Very low52.2Low188 Ų188140.5 Ų140.587%0.8779%0.79SS**  trans-102.1151.6-169.7-53.5-93.3000112.9
308S50.7Low52.3Low116 Ų116142.4 Ų142.481%0.81180%0.798SS**  trans-124.2116.6176.141.20000113.2
309K53.2Low52.5Low196 Ų196141.2 Ų141.285%0.85280%0.798SS**  trans32.1113.8147.9-64.1-176.1177-177.40120.6
310L47.7Very low53Low170 Ų170140.7 Ų140.789%0.8980%0.8SS**  trans-44.2141.2150.5-168.974.7000113.2
311V63.6Low53.2Low121 Ų121140.2 Ų140.273%0.73380%0.799SS**  trans-137.1133.2170.8174.90000109.5
312D61Low53Low151 Ų151137.6 Ų137.681%0.80779%0.792SS**  trans-69.8152.2-180-86.8-54.2000114.4
313H60Low53.8Low171 Ų171138.1 Ų138.179%0.79280%0.798SS**  trans-115.1139.6167.4-68.3-45.8000110.9
314P64.6Low53.9Low122 Ų122138 Ų13879%0.79280%0.796SS**  trans-76138.5-178.930.6-34.5000112.2
315P55.9Low54.3Low131 Ų131138.1 Ų138.185%0.85180%0.803SS**  trans-86.1144.6173.534.5-33.2000111.3
316G49.7Very low53.9Low71 Ų71139.9 Ų139.973%0.73280%0.803SS**  trans159.348.3171.300000119
317L52.3Low54Low172 Ų172140.5 Ų140.590%0.90181%0.805SS**  trans-133.3119.2160.9-73.7177.5000110P319L317-P319 WeakPolarHBondContact O-CD 3.42Å
318I51.8Low54.2Low160 Ų160139.3 Ų139.382%0.82180%0.804SS**  trans-102.8111.4178-58.3171.5000108.2
319P57Low53.6Low107 Ų107137.1 Ų137.170%0.69580%0.801SS**  trans-78.4123.3166.330.4-30.4000109.8L317 S321L317-P319 WeakPolarHBondContact O-CD 3.42Å; P319-S321 PolarHBondContact O-N 3.26Å
320V58.8Low53.4Low143 Ų143134 Ų13487%0.86780%0.803SS**  trans-75.8107.9173.1175.40000109
321S58.7Low53.1Low104 Ų104131.4 Ų131.473%0.72780%0.799SS**PPolyproline II helixtrans-92.6138173.2-610000111P319P319-S321 PolarHBondContact O-N 3.26Å
322A51.1Low52.6Low85 Ų85133.5 Ų133.570%0.70281%0.805SS**PPolyproline II helixtrans-72.3145.6174.900000111.6
323P64.5Low51.7Low126 Ų126131.7 Ų131.782%0.81880%0.804SS**PPolyproline II helixtrans-82.2124.6177.631.5-32.4000111.6
324H44.6Very low50.9Low170 Ų170130.6 Ų130.679%0.78781%0.81SS**PPolyproline II helixtrans-82.8124.9161.8-71-80.4000109.7
325S54.7Low49.9Very low127 Ų127130.5 Ų130.589%0.88881%0.812SS**PPolyproline II helixtrans-89.8122.9167.636.90000110.6
326H40Very low49.6Very low160 Ų160130.1 Ų130.174%0.74181%0.812SS**  trans-132.4129.116935.9-91.8000108
327L47.8Very low49.3Very low159 Ų159132.8 Ų132.883%0.83282%0.819SS**  trans-141.1125.4179.6-125137.3000109.2
328L50.1Low49.5Very low163 Ų163130.2 Ų130.285%0.85382%0.816SS**  trans-1.8133.3152.7-53158.5000115
329G39Very low49.6Very low71 Ų71128.3 Ų128.373%0.73282%0.817SS**  cis12498.119.900000109.3
330S49.2Very low50Low130 Ų130132 Ų13291%0.90983%0.825SS**  trans-149.7116.4175.1-67.30000109.6
331S41.8Very low50.8Low115 Ų115130.3 Ų130.380%0.80482%0.817SS**  trans-95.3120.1-17951.80000111.9
332I52.1Low51.8Low166 Ų166130.9 Ų130.985%0.85182%0.818SS**  trans-137129.1157.1-57.3-178.3000108.1
333S41.7Very low53.1Low113 Ų113132.5 Ų132.579%0.7982%0.821SS**  trans-96.4127.8-177.2-48.20000111.3
334T44.1Very low53.5Low148 Ų148132 Ų13291%0.90882%0.819SS**  trans-150.2137.2149.628.60000110.2
335S43.9Very low55Low120 Ų120129.5 Ų129.584%0.83982%0.817SS**  trans-100.5130.8-172.952.40000112.6
336S49Very low55.4Low123 Ų123131.8 Ų131.886%0.8682%0.818SS**  trans-156.2120.6148.851.20000110.3
337S43.9Very low56.4Low126 Ų126132.3 Ų132.388%0.88183%0.826SS**  trans-91.1124.8-179520000111.4
338S54.8Low57Low119 Ų119128.6 Ų128.683%0.83282%0.818SS**  trans-131.1111.4159.759.20000109.2
339S54.5Low57.8Low120 Ų120126.9 Ų126.984%0.83982%0.817SS**PPolyproline II helixtrans-73.3122.4-179.950.90000111.6
340E66Low59Low183 Ų183130 Ų13086%0.85582%0.815SS**PPolyproline II helixtrans-80.1135.9169.7-166.5173.5178.500110.2
341P75.6Confident59.2Low109 Ų109131.3 Ų131.371%0.70881%0.807SS**PPolyproline II helixtrans-76.5149.7-177.730.6-35000112.5
342P79.3Confident60.1Low115 Ų115133.9 Ų133.975%0.74781%0.806SS**PPolyproline II helixtrans-70.3153176.930.2-35.5000112.3
343P77.7Confident60Low119 Ų119133.8 Ų133.877%0.77380%0.801SS**PPolyproline II helixtrans-67.1149.5177.228.5-35.2000112.1
344P73.4Confident60.8Low117 Ų117134.2 Ų134.276%0.7680%0.804SS**PPolyproline II helixtrans-69.4147.1-179.628.6-35000112.3
345P76.4Confident61Low116 Ų116134.8 Ų134.875%0.75380%0.802SS**PPolyproline II helixtrans-70.3142.3177.629.3-34.7000111.9L347P345-L347 PolarHBondContact O-N 3.49Å
346L64.2Low61.5Low175 Ų175138.8 Ų138.892%0.91681%0.807SS**PPolyproline II helixtrans-67.5123.4173.6-66.6170.5000110.3A348L346-A348 PolarHBondContact O-N 3.05Å
347L59.8Low61.7Low171 Ų171141.2 Ų141.290%0.89580%0.802SS**PPolyproline II helixtrans-71119.7171.2-79.489000110.3P345P345-L347 PolarHBondContact O-N 3.49Å
348A61Low62Low82 Ų82141.9 Ų141.968%0.67880%0.795SS**PPolyproline II helixtrans-79.6143.7165.500000110.6L346 I350L346-A348 PolarHBondContact O-N 3.05Å; A348-I350 PolarHBondContact O-N 3.38Å
349P67.4Low61.8Low127 Ų127140.7 Ų140.783%0.82579%0.785SS**PPolyproline II helixtrans-63.3128.5173.4-22.333.9000112.3H351P349-H351 PolarHBondContact O-N 2.95Å
350I62.2Low61.4Low136 Ų136143.8 Ų143.870%0.69779%0.786SS**PPolyproline II helixtrans-80.9118.3178.8-59.7171.5000109.5A348 H352A348-I350 PolarHBondContact O-N 3.38Å; I350-H352 WeakPolarHBondContact CG2-NE2 3.48Å
351H54.5Low60.5Low158 Ų158141 Ų14173%0.73179%0.786SS**  trans-85.5111167.1-113.3-85.9000109.5P349P349-H351 PolarHBondContact O-N 2.95Å
352H61.4Low59Low168 Ų168142.6 Ų142.678%0.77879%0.787SS**  trans-90.8128.4169.2-79.9-67.3000111I350I350-H352 WeakPolarHBondContact CG2-NE2 3.48Å
353H49Very low57.6Low164 Ų164146.5 Ų146.576%0.75980%0.795SS**  trans-102.9134.3172-27.6-70.6000108.6
354S57.9Low55.8Low122 Ų122147.8 Ų147.885%0.85380%0.796SS**  trans-138.4123160.1600000110.3
355N49.7Very low54.5Low161 Ų161149.2 Ų149.286%0.86180%0.803SS**  trans-80.9133.6175-67.4-63.4000109.4
356Q53.6Low52.8Low203 Ų203149.5 Ų149.595%0.94981%0.808SS**  trans-138.2164.3145.6-78.6-140.834.400110.1
357K53Low51.9Low175 Ų175146.8 Ų146.876%0.76180%0.803SS**  trans-134.8153.5-138.5-153-160.7173.1-177.30110.4
358L50Low51Low139 Ų139145 Ų14573%0.72880%0.799SS**  trans78.5158.7162.5-58.7161.6000116.6
359P51.1Low50.4Low94 Ų94149.3 Ų149.361%0.6181%0.81SS**  -144.1174.2-69.739.4-20.2000116.2
360H45.3Very low49.1Very low186 Ų186150 Ų15086%0.86181%0.807SS**  trans38.9118.3150.9-53.8-47.1000121.6
361S47.3Very low48.1Very low124 Ų124149.1 Ų149.187%0.86781%0.81SS**  -153.4161118.2-162.10000111.5
362I44.9Very low47.7Very low143 Ų143149.8 Ų149.873%0.73382%0.818SS**  trans-111.1139.5-166.7-65.5157.7000109.7
363Q49.1Very low46.8Very low196 Ų196152.3 Ų152.392%0.91682%0.822SS**  trans-163.8134.4139.1-110.7162.83400113.4
364N41.3Very low46.7Very low147 Ų147151.5 Ų151.579%0.78682%0.824SS**  trans-81.6144.7171.5-64.6-41.3000110.4
365T46.1Very low45.9Very low147 Ų147150.2 Ų150.290%0.90282%0.815SS**  trans-150.3131.9138.738.10000110.7
366S41Very low45.9Very low122 Ų122149.4 Ų149.485%0.85381%0.81SS**  trans-99.3136.6176-480000110.1
367S44.8Very low45.3Very low117 Ų117145.2 Ų145.282%0.81880%0.799SS**  trans-155.8110.7159590000112.4
368T41Very low45.3Very low134 Ų134144.4 Ų144.482%0.82280%0.801SS**  trans-52.5151.2158.337.80000112.8
369L47Very low45.1Very low172 Ų172144.3 Ų144.390%0.90180%0.801SS**  trans-165.8160.2131.3-104.6165.2000112.6
370N40.2Very low45.1Very low143 Ų143145.3 Ų145.377%0.76581%0.806SS**PPolyproline II helixtrans-89.5165.9-163.3-81.6-39.4000114.8
371P42.4Very low45.1Very low117 Ų117141.2 Ų141.276%0.7680%0.798SS**PPolyproline II helixtrans-77.7148.6177.832.4-36.2000113.2
372L46.2Very low45.2Very low172 Ų172142.4 Ų142.490%0.90179%0.794SS**PPolyproline II helixtrans-98.5132.4171.1-108.375000112
373Y41.2Very low45.7Very low221 Ų221141.6 Ų141.687%0.86780%0.795SS**PPolyproline II helixtrans-69.2155.7162.8-94.7-106.6000111.1
374N48.7Very low45.8Very low147 Ų147137.4 Ų137.479%0.78679%0.785SS**  trans-133.1126.6164.9-164.95.5000110.2
375S40.3Very low46.1Very low95 Ų95137.6 Ų137.666%0.66479%0.786SS**  trans-151.9119.8-178.4-65.50000109.9
376N49Very low46.2Very low143 Ų143140 Ų14077%0.76578%0.784SS**  trans-105110.6169.2-76.6-20.3000107.5
377T41.3Very low47Very low116 Ų116139.2 Ų139.271%0.71278%0.779SS**  77.7145.679.954.70000115.3
378I54Low47.9Very low157 Ų157140.3 Ų140.381%0.80578%0.78SS**  trans88.9119.4-176.8-57.3170.8000114.3
379D45.9Very low49.4Very low137 Ų137139.1 Ų139.173%0.73378%0.775SS**  cis-169.2174.6-17.7-129.9-47.6000116.4
380V50.8Low50.5Low116 Ų116137 Ų13770%0.70377%0.771SS**  trans67.6117.4149.3174.80000123.3
381S45.4Very low52Low99 Ų99134.6 Ų134.669%0.69277%0.771SS**  trans104.7108.6139.168.80000124.3
382L49.7Very low53.4Low150 Ų150134.6 Ų134.679%0.78577%0.772SS**  trans7293.7130.2-56.2170.5000123
383T55.3Low54.5Low125 Ų125132.3 Ų132.377%0.76777%0.767SS**  93.4165.5111.571.60000117
384P49.8Very low55.6Low108 Ų108127.7 Ų127.770%0.70176%0.761SS**  -131-172.3-104.829.1-3.1000115.9
385N48.4Very low56.3Low151 Ų151128.5 Ų128.581%0.80777%0.765SS**  trans90104.2174.3-61.8-44.7000118.3
386K47.4Very low57.3Low197 Ų197132 Ų13286%0.85777%0.77SS**  179.3132.3101.3-100.3176.6178.6177.80114.6
387S57.5Low57.6Low107 Ų107131.1 Ų131.175%0.74878%0.776SS**  trans36.2113.9147.858.80000121
388V63.8Low58.7Low139 Ų139133.4 Ų133.484%0.84278%0.782SS**PPolyproline II helixtrans-81.9135162.8174.30000110.7
389P72.7Confident59Low109 Ų109134.5 Ų134.571%0.70878%0.783SS**PPolyproline II helixtrans-86.4147.716633.8-32000112
390P71.2Confident59.7Low127 Ų127133.4 Ų133.483%0.82578%0.784SS**PPolyproline II helixtrans-80.7154.1-175.733.1-35.8000113.7
391A70.7Confident60.7Low93 Ų93133.9 Ų133.977%0.76979%0.789SS**PPolyproline II helixtrans-76.7149175.500000112.7
392P72.1Confident60.9Low118 Ų118134.1 Ų134.177%0.76679%0.79SS**PPolyproline II helixtrans-76.8153.1176.731.9-35000112.7
393P70.4Confident61.6Low123 Ų123134.6 Ų134.680%0.79979%0.792SS**PPolyproline II helixtrans-78.5152.1-175.631.9-36000113.9
394V62.8Low61.4Low124 Ų124135.7 Ų135.775%0.75279%0.794SS**PPolyproline II helixtrans-75.5123.5174.2177.40000110.4
395L62.9Low61.5Low165 Ų165136.1 Ų136.186%0.86480%0.796SS**PPolyproline II helixtrans-92.4131.6168.9-79.8170.2000110.7
396H62.8Low61.8Low167 Ų167136.5 Ų136.577%0.77380%0.796SS**PPolyproline II helixtrans-83.1135.4-179.6-64.483.1000110.9
397S54.6Low61.9Low126 Ų126134.2 Ų134.288%0.88179%0.794SS**PPolyproline II helixtrans-72135.5175.5-63.90000112
398I64.7Low61.3Low164 Ų164133.9 Ų133.984%0.84179%0.791SS**  trans-111.6135.8170.3-62.8177.5000109
399H59.4Low60.8Low179 Ų179132.7 Ų132.783%0.82979%0.789SS**PPolyproline II helixtrans-65.9147.3-179-91.3-98.1000113.8
400P62.4Low60.2Low115 Ų115134.2 Ų134.275%0.74780%0.796SS**PPolyproline II helixtrans-90.413915734.8-29.6000111.3
401P71Confident59.5Low126 Ų126134 Ų13482%0.81880%0.795SS**PPolyproline II helixtrans-87.6152.6167.933.5-31.7000112.6
402S48.8Very low58.8Low103 Ų103134.9 Ų134.972%0.7280%0.795SS**PPolyproline II helixtrans-70.9146.4-180178.10000113.7
403I64.4Low57.8Low161 Ų161138.5 Ų138.583%0.82680%0.802SS**  trans-136.7122158.2-58.7-178.5000109
404N51Low57.1Low148 Ų148138.1 Ų138.179%0.79180%0.799SS**  trans-92.7145.6168.2-86.5-26.1000110.6
405P52.4Low56.8Low116 Ų116137.6 Ų137.675%0.75380%0.799SS**  trans-107.2146.2-178.438.2-31.8000114.1
406I55.4Low56Low159 Ų159134 Ų13482%0.81579%0.787SS**  trans-143.9127.6163.1-64.7-173.7000109.9
407N48.1Very low55.4Low150 Ų150133.3 Ų133.380%0.80278%0.784SS**  trans16.5148.3143.7-59.8-11.6000120.4
408S46.6Very low55Low100 Ų100134.1 Ų134.170%0.69977%0.774SS**  cis-176.4168.26.835.80000112.2
409S53.5Low54.2Low114 Ų114135.3 Ų135.380%0.79777%0.773SS**  trans73.814716278.40000117.3
410V59.7Low53.6Low141 Ų141133.9 Ų133.986%0.85577%0.767SS**  cis178.9154.3-25.6130.70000104.1
411P55Low53Low123 Ų123137.2 Ų137.280%0.79977%0.772SS**  trans-119.2172.9-143.342.2-33.6000117.1
412S56.6Low51.7Low110 Ų110141.2 Ų141.277%0.76977%0.772SS**  trans-154.9115.8163.159.60000115.5
413Q51Low51.7Low194 Ų194148 Ų14891%0.90778%0.782SS**  trans50.4137.5150.3-70.5-177.4-39.700124.5
414P55.7Low50.9Low115 Ų115148.2 Ų148.275%0.74778%0.779SS**  trans-101.5177.2162.841.3-33.9000112.7
415P56.6Low50.7Low114 Ų114149.7 Ų149.774%0.7478%0.781SS**  -155.7163107.541-23.4000118.9
416S47.1Very low50.5Low89 Ų89152.8 Ų152.862%0.62279%0.786SS**  trans51.2125.3141.261.30000124.5
417H49.4Very low50Low153 Ų153152 Ų15271%0.70878%0.778SS**  157.1111.5118.4-86.5-73.8000110.9
418Q46Very low49.8Very low142 Ų142151.7 Ų151.766%0.66477%0.772SS**  58.4122.4104.1-79.2-171.8-25.300117
419F47.7Very low49.6Very low190 Ų190155 Ų15583%0.83378%0.777SS**  -174.2160.5108.6-101.8-71.4000112.8
420H46.5Very low49.4Very low148 Ų148158.1 Ų158.169%0.68578%0.784SS**  trans-90.3160.2-171.6-58.9-97000113.5
421H49.7Very low48.5Very low185 Ų185156.4 Ų156.486%0.85678%0.778SS**  177.9169.596.6-109.5-31.7000117.4
422Y44.6Very low48.1Very low210 Ų210155.9 Ų155.982%0.82478%0.777SS**  trans-92.7152-173.1-99.2-117.2000113.9
423R48.4Very low47.5Very low245 Ų245159.1 Ų159.193%0.92578%0.78SS**  trans-179.2157.1132.3-108.5-179.6171.4-173.9-2.3110.3
424H48.9Very low47.8Very low167 Ų167158.2 Ų158.277%0.77378%0.78SS**  cis-179.2144.4-41.3-165-64.1000104.5
425Q45.2Very low47.5Very low179 Ų179160.2 Ų160.284%0.83678%0.779SS**  trans-71154.6178.8-70175.7-29.900114.5
426Q49Very low46.8Very low180 Ų180162.9 Ų162.984%0.84178%0.781SS**  trans-161.1160.5146.3-125.6177.33.100109.3
427Q43.9Very low47.2Very low142 Ų142166.4 Ų166.466%0.66479%0.788SS**  -177.1127.3-55.7-178.617511.900107.4
428Q44.2Very low46.7Very low144 Ų144167.4 Ų167.467%0.67379%0.793SS**  trans56.3119153.3-64.2173.519.400120.9
429Q44Very low46.8Very low169 Ų169168.6 Ų168.679%0.7980%0.798SS**  84.6126.689.9-71.8-171.811.200116.3
430L49.3Very low46.8Very low181 Ų181165 Ų16595%0.94879%0.794SS**  trans-146.4142.3153.1-90174.1000109.9
431S39.9Very low47.1Very low105 Ų105166.7 Ų166.773%0.73481%0.807SS**  trans-131.7147.2-175.7-68.30000111.9
432S46.1Very low46.5Very low111 Ų111163.4 Ų163.478%0.77680%0.804SS**  trans169.4115.5146.242.70000109.5
433H44.7Very low46.5Very low179 Ų179158.5 Ų158.583%0.82980%0.801SS**  77.8117.280.8-82.1-49000116.6
434L57.3Low46.1Very low175 Ų175152.4 Ų152.492%0.91679%0.791SS**  trans-155160.9142.8-143.766000113.1
435H49.6Very low45.9Very low157 Ų157152.2 Ų152.273%0.72779%0.79SS**  trans-98143.3-163.5-70.886.2000112.7
436H42.5Very low45.6Very low169 Ų169151.4 Ų151.478%0.78279%0.786SS**  78.4104.872-133.794.9000115.5
437H54.9Low45.4Very low163 Ų163151.3 Ų151.376%0.75579%0.785SS**  trans-175.5148.1134.7-117-72.4000113.9H439H437-H439 AromaticContact ND1-NE2 3.96Å
438Q39.2Very low45.3Very low175 Ų175152 Ų15282%0.81879%0.787SS**  trans-134.9156.6167.3-92.7-145.551.800110.8
439H47.4Very low45.4Very low167 Ų167151.2 Ų151.277%0.77380%0.795SS**  trans-148.5136.5167.1-77.3-79.7000110.8H437H437-H439 AromaticContact ND1-NE2 3.96Å
440P46.9Very low45.2Very low114 Ų114150.6 Ų150.674%0.7480%0.796SS**  trans-119.5152169.638.3-28000113.6
441L52.9Low44.9Very low184 Ų184145.9 Ų145.996%0.96378%0.783SS**  trans-143.8158.3165.9-78.7-179.3000112.2
442S37.8Very low45Very low115 Ų115146 Ų14680%0.80478%0.784SS**  trans-133.1145.9-16256.30000114.5
443S43.7Very low44.5Very low108 Ų108144.6 Ų144.676%0.75577%0.774SS**  trans178.9124.9152.8-1660000107.7
444V40.7Very low44.3Very low116 Ų116144.3 Ų144.370%0.70377%0.773SS**  77.811251.5-173.60000115
445H45.4Very low43.6Very low163 Ų163141.3 Ų141.376%0.75577%0.766SS**  trans153.8108.5145.8-87.380.3000109.1
446H38.6Very low43Very low162 Ų162142.5 Ų142.575%0.7577%0.766SS**  59.3119.478.8-90.172.8000117
447H45.3Very low43.4Very low179 Ų179139.9 Ų139.983%0.82976%0.763SS**  -173.3167.4129.2-96.9-59.2000113.7
448H41.6Very low42.6Very low155 Ų155137.5 Ų137.572%0.71877%0.765SS**  trans-82-179.9-164.3-76.2-90.3000116.1
449P45.5Very low43.1Very low128 Ų128135.2 Ų135.283%0.83177%0.769SS**  -140.2174.4107.737.8-24.6000116.7
450I39.8Very low43Very low157 Ų157134.9 Ų134.981%0.80577%0.772SS**  trans-127.7145.2-176-65.4168.2000109.5
451A44Very low42.7Very low82 Ų82133.9 Ų133.968%0.67877%0.767SS**  trans152129.9152.400000109.4
452S40.7Very low42.3Very low108 Ų108133.5 Ų133.576%0.75576%0.76SS**  63.2131.750.173.20000114.2
453S36.1Very low42.4Very low81 Ų81134.2 Ų134.257%0.56676%0.756SS**  cis-172.5174.5-638.30000109.5
454H41.5Very low42.5Very low173 Ų173134.8 Ų134.880%0.80176%0.76SS**  trans75.1152.8171.8-43.2-63.6000115.7
455S40.9Very low42.4Very low112 Ų112134.6 Ų134.678%0.78376%0.763SS**  cis-162.1150.4-223.50000112
456Y38.3Very low42.6Very low182 Ų182138.9 Ų138.971%0.71477%0.773SS**  trans-110.7160.4162.3-81.9-78.1000107.6
457P50.3Low43Very low113 Ų113136.2 Ų136.273%0.73477%0.772SS**  -154.6170.350.942.4-20.3000120.6
458S38.5Very low43.3Very low114 Ų114136.5 Ų136.580%0.79778%0.776SS**  trans25129.6141.3-51.50000122.4
459S50.3Low43.8Very low127 Ų127134.1 Ų134.189%0.88878%0.777SS**  trans-143.6155.6137.961.30000111.2
460L44.2Very low44.1Very low160 Ų160134.1 Ų134.184%0.83878%0.777SS**  trans-121.4144.8-163.2-135.499.5000111.3
461S40.5Very low45.5Very low92 Ų92134.1 Ų134.164%0.64378%0.777SS**  trans80.5151.8137.1-138.90000121.9
462Q45.2Very low46.1Very low176 Ų176135.9 Ų135.982%0.82278%0.782SS**  trans67.7155.9159.4-54-157.19.100118.3
463N39.2Very low46.3Very low131 Ų131139.5 Ų139.570%0.70179%0.789SS**  cis-177.8130.6-30.3178.121.8000104.9
464S45.2Very low47.4Very low120 Ų120144.9 Ų144.984%0.83981%0.805SS**  trans-178.3119.1155.7-90.70000113.6
465S40Very low47.8Very low112 Ų112142.8 Ų142.878%0.78381%0.805SS**  trans-65.4147.9162.2-410000111.5
466R49.9Very low48.4Very low253 Ų253145.4 Ų145.496%0.95581%0.809SS**  trans-139.7138155.7-103-177.5177.7-130.2-2.4111.2
467S45.4Very low48.7Very low105 Ų105142.2 Ų142.273%0.73481%0.814SS**  trans-76.1159.5-175.247.10000113
468M52.8Low48.9Very low186 Ų186142.3 Ų142.392%0.91682%0.817SS**  trans-124.6127.4161.9-78.5-69.4155.600109.3
469S52.2Low49.3Very low104 Ų104142.6 Ų142.673%0.72782%0.819SS**  trans-85.8151.1176.1-1.90000110.8
470P50.9Low49.8Very low129 Ų129142.4 Ų142.484%0.83882%0.815SS**  trans-81145.3171.133.3-32.7000111.5
471I69.1Low50.5Low157 Ų157143.8 Ų143.881%0.80582%0.817SS**  trans-107.8137.7172.9-64176.2000107.8
472P56.6Low51.1Low119 Ų119144.4 Ų144.477%0.77382%0.822SS**  trans-73.6150.817931-35.5000112.1
473M45.9Very low51.8Low184 Ų184141.7 Ų141.791%0.90682%0.819SS**  trans-88.2137.3170.1-61.9-144.7-50.300110.9
474E59.3Low52.2Low194 Ų194142 Ų14291%0.90782%0.821SS**  trans-114.4150155.9-73.1-151.614200111.1
475T48.4Very low52.6Low129 Ų129144 Ų14479%0.79182%0.82SS**  trans-79.5136.2-173.149.60000112
476N53.6Low53Low166 Ų166148.2 Ų148.289%0.88882%0.82SS**  trans-155.6138.9145.8-100.5-44.6000112.1
477S44.7Very low53.1Low116 Ų116145.6 Ų145.681%0.81182%0.816SS**  trans-89.2111.9-173.751.50000112.4
478S55.7Low53.3Low115 Ų115147.1 Ų147.180%0.80482%0.815SS**  trans-157.4146154.858.80000110.7
479S47Very low53.1Low119 Ų119149.7 Ų149.783%0.83281%0.814SS**  trans-66.7128.8-171.3-54.10000112.6Q481S479-Q481 PolarHBondContact O-N 3.22Å
480P59.1Low53.2Low123 Ų123155 Ų15580%0.79982%0.818SS**  trans-74.8115.7169.829.7-31.5000109.9
481Q60.7Low53.7Low189 Ų189155.4 Ų155.488%0.88381%0.812SS**PPolyproline II helixtrans-58.9133169.6-166.9171.39.800109.4S479S479-Q481 PolarHBondContact O-N 3.22Å
482S51.2Low53.3Low106 Ų106155.5 Ų155.574%0.74182%0.815SS**PPolyproline II helixtrans-56.7131.5-173.3-56.30000111.7D484S482-D484 PolarHBondContact O-N 2.86Å
483P62Low54.1Low118 Ų118153.5 Ų153.577%0.76680%0.796SS**PPolyproline II helixtrans-69.7126.4-179.327.8-33.5000110.5I485P483-I485 PolarHBondContact O-N 3.28Å
484D46.1Very low55.8Low138 Ų138149 Ų14974%0.73878%0.779SS**PPolyproline II helixtrans-49126.7175.7-81-50.6000112S482 Y486S482-D484 PolarHBondContact O-N 2.86Å; D484-Y486 HydrophobicContact CB-CD2 4.41Å; D484-Y486 PolarHBondContact O-N 3.36Å
485I55.1Low57Low161 Ų161144.8 Ų144.883%0.82676%0.763SS**SBendtrans-67-3.7-175.4-67.1171.8000112.3P483 K487P483-I485 PolarHBondContact O-N 3.28Å; I485-K487 PolarHBondContact O-N 2.94Å; I485-K487 VanDerWaalsContact O-N 3.17Å
486Y47.8Very low58.7Low201 Ų201143.7 Ų143.779%0.78875%0.749SS**THydrogen-bonded Turntrans-88.355.6-174.5-60.5-76.6000114.9D484D484-Y486 HydrophobicContact CB-CD2 4.41Å; D484-Y486 PolarHBondContact O-N 3.36Å
487K52.6Low60.3Low199 Ų199140.4 Ų140.487%0.86573%0.728SS**THydrogen-bonded Turntrans-149.3-4.6172.9-112150.2-162.8172.60119.6I485I485-K487 PolarHBondContact O-N 2.94Å; I485-K487 VanDerWaalsContact O-N 3.17Å
488I49.1Very low62.5Low137 Ų137143 Ų14370%0.70372%0.72SS**  trans-121.762.5177.5-44.1-177000111.6R490I488-R490 HydrophobicContact CG2-CB 4.13Å; I488-R490 HydrophobicContact CG2-CG 3.81Å; I488-R490 PolarHBondContact O-N 2.98Å
489R48.4Very low64.2Low239 Ų239145 Ų14590%0.90271%0.71SS**  trans-7965156.1-156.5-175-64.3176.50.7108.8L491R489-L491 PolarHBondContact O-N 2.9Å
490R54.1Low66.5Low215 Ų215145.5 Ų145.581%0.81170%0.697SS**  trans-63.1105.4166-94.7-179179162.62.2106I488 D492I488-R490 HydrophobicContact CG2-CB 4.13Å; I488-R490 HydrophobicContact CG2-CG 3.81Å; I488-R490 PolarHBondContact O-N 2.98Å; R490-D492 PolarHBondContact O-N 2.92Å; R490-D492 VanDerWaalsContact O-N 3.09Å
491L61Low68.1Low138 Ų138146.9 Ų146.972%0.72369%0.69SS**  trans-52.2116174.2-82.9149.3000109.3R489 M493R489-L491 PolarHBondContact O-N 2.9Å; L491-M493 PolarHBondContact O-N 3.43Å
492D61.8Low69.8Low160 Ų160145.9 Ų145.986%0.85668%0.683SS**  trans-65.686.3167-77.4-44.3000108.6R490 T494R490-D492 PolarHBondContact O-N 2.92Å; R490-D492 VanDerWaalsContact O-N 3.09Å; D492-T494 PolarHBondContact O-N 3.5Å
493M71.4Confident71.9Confident77 Ų77149.8 Ų149.838%0.37968%0.682SS.*  trans-64108.6170-69.2-88.979.700107.8L491 E497L491-M493 PolarHBondContact O-N 3.43Å; M493-E497 HydrophobicContact CE-CB 4.26Å; M493-E497 HydrophobicContact CE-CG 3.78Å; M493-E497 WeakPolarHBondContact CE-OE2 3.47Å; M493-E497 HydrophobicContact SD-CB 4.39Å; M493-E497 HydrophobicContact SD-CG 3.91Å
494T83.3Confident73.5Confident90 Ų90153 Ų15355%0.55268%0.678SS**  trans-49.5146.4167.263.30000109.7D492 E496 E497 R498D492-T494 PolarHBondContact O-N 3.5Å; T494-E496 PolarHBondContact O-N 3.27Å; T494-E496 VanDerWaalsContact O-N 3.1Å; T494-E497 WeakPolarHBondContact O-CA 3.41Å; T494-E497 PolarHBondContact O-N 2.97Å; T494-E497 PolarHBondContact OG1-N 3.4Å; T494-R498 PolarHBondContact O-N 2.93Å
495D83.9Confident75.8Confident105 Ų105151 Ų15156%0.56167%0.665SS**Hα-helixtrans-65.1-23.3-171.5-14530.8000112R498 R499D495-R498 WeakPolarHBondContact O-CB 3.41Å; D495-R498 PolarHBondContact O-N 2.91Å; D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.23Å
496E84.2Confident77.8Confident106 Ų106151 Ų15150%0.49566%0.659SS.*Hα-helixtrans-69.2-39.5169.8-170.453-145.600112.5T494 R498 R499 K500T494-E496 PolarHBondContact O-N 3.27Å; T494-E496 VanDerWaalsContact O-N 3.1Å; E496-R498 VanDerWaalsContact C-N 3.33Å; E496-R499 WeakPolarHBondContact O-CB 3.12Å; E496-R499 PolarHBondContact O-N 3.03Å; E496-K500 WeakPolarHBondContact O-CB 3.27Å; E496-K500 PolarHBondContact O-N 3.38Å
497E86.4Confident80.1Confident96 Ų96147.9 Ų147.945%0.44965%0.649SS.*Hα-helixtrans-69.8-33.8174.7-163.1160.7-17600111.8M493 T494 R499 K500 K501M493-E497 HydrophobicContact CE-CB 4.26Å; M493-E497 HydrophobicContact CE-CG 3.78Å; M493-E497 WeakPolarHBondContact CE-OE2 3.47Å; M493-E497 HydrophobicContact SD-CB 4.39Å; M493-E497 HydrophobicContact SD-CG 3.91Å; T494-E497 WeakPolarHBondContact O-CA 3.41Å; T494-E497 PolarHBondContact O-N 2.97Å; T494-E497 PolarHBondContact OG1-N 3.4Å; E497-R499 PolarHBondContact O-N 3.5Å; E497-K500 PolarHBondContact O-N 3.37Å; E497-K501 WeakPolarHBondContact O-CB 3.44Å; E497-K501 PolarHBondContact O-N 3.31Å
498R90.9Very high82.1Confident171 Ų171147.2 Ų147.265%0.64564%0.641SS**Hα-helixtrans-60.1-43169.2-151.5178.9-161.3175.97.5111.6T494 D495 E496 K502T494-R498 PolarHBondContact O-N 2.93Å; D495-R498 WeakPolarHBondContact O-CB 3.41Å; D495-R498 PolarHBondContact O-N 2.91Å; E496-R498 VanDerWaalsContact C-N 3.33Å; R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 PolarHBondContact O-N 3Å
499R91.7Very high84.3Confident158 Ų158149 Ų14960%0.59664%0.639SS**Hα-helixtrans-64.9-43.1172.2-79.5176.8171.1173.90.5112.7D495 E496 E497 K502 R503D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.23Å; E496-R499 WeakPolarHBondContact O-CB 3.12Å; E496-R499 PolarHBondContact O-N 3.03Å; E497-R499 PolarHBondContact O-N 3.5Å; R499-K502 PolarHBondContact O-N 3.26Å; R499-R503 PolarHBondContact O-N 3.24Å
500K94.9Very high86.6Confident129 Ų129145 Ų14556%0.56163%0.628SS**Hα-helixtrans-62.1-42.5177.9-166.4175.5-175.5177.90111.6E496 E497 R503 R504E496-K500 WeakPolarHBondContact O-CB 3.27Å; E496-K500 PolarHBondContact O-N 3.38Å; E497-K500 PolarHBondContact O-N 3.37Å; K500-R503 PolarHBondContact O-N 3.03Å; K500-R504 PolarHBondContact O-N 2.84Å
501K93.7Very high88.5Confident151 Ų151140.1 Ų140.166%0.65762%0.618SS**Hα-helixtrans-61.2-46.1172-171.1171-177.2173.20111.5E497 R503 R504 E505E497-K501 WeakPolarHBondContact O-CB 3.44Å; E497-K501 PolarHBondContact O-N 3.31Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.12Å; K501-R504 PolarHBondContact O-N 3.42Å; K501-E505 WeakPolarHBondContact O-CB 3.37Å; K501-E505 PolarHBondContact O-N 2.91Å
502K95.8Very high90.1Very high168 Ų168142.8 Ų142.873%0.7362%0.624SS**Hα-helixtrans-64.4-34.8177.7-155.3172.1-172.5176.70112.9R498 R499 K506R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 PolarHBondContact O-N 3Å; R499-K502 PolarHBondContact O-N 3.26Å; K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.1Å
503R95.9Very high91.4Very high188 Ų188143.8 Ų143.871%0.70962%0.624SS**Hα-helixtrans-67.7-45.8171.6-80179.8169.3164.2-4.1112.3R499 K500 K501 E505 K506 K507R499-R503 PolarHBondContact O-N 3.24Å; K500-R503 PolarHBondContact O-N 3.03Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.12Å; R503-E505 PolarHBondContact O-N 3.43Å; R503-K506 PolarHBondContact O-N 3.5Å; R503-K507 PolarHBondContact O-N 3.18Å
504R95.5Very high92.4Very high185 Ų185147.2 Ų147.270%0.69864%0.636SS**Hα-helixtrans-59.3-44.9174.4-87.6-176.8165.7178.3-5.3111.6K500 K501 K507 R508K500-R504 PolarHBondContact O-N 2.84Å; K501-R504 PolarHBondContact O-N 3.42Å; R504-K507 PolarHBondContact O-N 3.29Å; R504-R508 WeakPolarHBondContact O-CG 3.35Å; R504-R508 PolarHBondContact O-N 3.16Å
505E94.9Very high92.9Very high96 Ų96150.2 Ų150.245%0.44964%0.64SS.*Hα-helixtrans-63.5-43.8178.2-169.558.7-153.200112K501 R503 K507 R508 R509K501-E505 WeakPolarHBondContact O-CB 3.37Å; K501-E505 PolarHBondContact O-N 2.91Å; R503-E505 PolarHBondContact O-N 3.43Å; E505-K507 VanDerWaalsContact C-N 3.31Å; E505-K507 PolarHBondContact O-N 3.04Å; E505-R508 PolarHBondContact O-N 2.84Å; E505-R509 PolarHBondContact O-N 3.24Å
506K96.1Very high93.4Very high163 Ų163152.7 Ų152.771%0.70965%0.645SS**Hα-helixtrans-63.4-35.4174.9-169.7171.3-176.3176.70112.4K502 R503 K510K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.1Å; R503-K506 PolarHBondContact O-N 3.5Å; K506-K510 PolarHBondContact O-N 3.09Å; K506-K510 VanDerWaalsContact O-N 3.12Å
507K96.1Very high94Very high134 Ų134155.4 Ų155.458%0.58365%0.654SS**Hα-helixtrans-65.2-49.1172.5-176.2174.1177.3-178.70111.2R503 R504 E505 R509 K510 D511R503-K507 PolarHBondContact O-N 3.18Å; R504-K507 PolarHBondContact O-N 3.29Å; E505-K507 VanDerWaalsContact C-N 3.31Å; E505-K507 PolarHBondContact O-N 3.04Å; K507-R509 PolarHBondContact O-N 3.36Å; K507-K510 CarbonylContact O-C 3.25Å; K507-K510 PolarHBondContact O-N 3.34Å; K507-D511 WeakPolarHBondContact CE-OD2 3.25Å; K507-D511 WeakPolarHBondContact CG-OD2 3.39Å; K507-D511 VanDerWaalsContact O-CG 3.3Å; K507-D511 PolarHBondContact O-N 3.24Å
508R95.7Very high94.4Very high185 Ų185159.1 Ų159.170%0.69867%0.666SS**Hα-helixtrans-60.5-30.8178.4-67.9-174.986.71739.2113.7R504 E505 K512R504-R508 WeakPolarHBondContact O-CG 3.35Å; R504-R508 PolarHBondContact O-N 3.16Å; E505-R508 PolarHBondContact O-N 2.84Å; R508-K512 WeakPolarHBondContact O-CB 3.42Å
509R95.3Very high94.7Very high175 Ų175158.3 Ų158.366%0.6667%0.668SS**Hα-helixtrans-69-46.7170.5-73.8-171.3179.2-160.4-3.7112E505 K507 D511 K512 E513E505-R509 PolarHBondContact O-N 3.24Å; K507-R509 PolarHBondContact O-N 3.36Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 PolarHBondContact O-N 2.86Å; R509-K512 PolarHBondContact O-N 3.12Å; R509-K512 VanDerWaalsContact O-N 3.09Å; R509-E513 PolarHBondContact O-N 3.33Å
510K95.2Very high94.9Very high155 Ų155158.4 Ų158.467%0.67467%0.673SS**Hα-helixtrans-67.6-27.1178.3-163-171.4174.8-166.90113.6K506 K507 K512 E513K506-K510 PolarHBondContact O-N 3.09Å; K506-K510 VanDerWaalsContact O-N 3.12Å; K507-K510 CarbonylContact O-C 3.25Å; K507-K510 PolarHBondContact O-N 3.34Å; K510-K512 PolarHBondContact O-N 3.39Å; K510-E513 VanDerWaalsContact O-OXT 3.12Å
511D94.1Very high94.9Very high112 Ų112160.6 Ų160.660%0.59968%0.681SS**THydrogen-bonded Turntrans-82.4-1.4174.7-60.2-15.6000112.1K507 R509K507-D511 WeakPolarHBondContact CE-OD2 3.25Å; K507-D511 WeakPolarHBondContact CG-OD2 3.39Å; K507-D511 VanDerWaalsContact O-CG 3.3Å; K507-D511 PolarHBondContact O-N 3.24Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 PolarHBondContact O-N 2.86Å
512K95.5Very high95Very high195 Ų195161.4 Ų161.485%0.84868%0.684SS**THydrogen-bonded Turntrans-116.7-6.8180-172.5171.6180-177.10112.9R508 R509 K510R508-K512 WeakPolarHBondContact O-CB 3.42Å; R509-K512 PolarHBondContact O-N 3.12Å; R509-K512 VanDerWaalsContact O-N 3.09Å; K510-K512 PolarHBondContact O-N 3.39Å
513E89.6Confident94.9Very high181 Ų181160.8 Ų160.885%0.84668%0.679SS**  trans-113.60179179.5175.3-126.900108.8R509 K510R509-E513 PolarHBondContact O-N 3.33Å; K510-E513 VanDerWaalsContact O-OXT 3.12Å

Retrieved 513 of 513 residues in 55.7 ms (Link to these results)