A0A060XED4_ONCMY Loading...

Zinc finger protein 503

AlphaFold DB , UniProt , Accession A0A060XED4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110530617, Length 547 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
1M33.8Very low35.5Very low236 Ų236138.4 Ų138.4100%1.16385%0.85SS**  0138.90-76164.6167.700108.3
2I34.1Very low35Very low169 Ų169139.9 Ų139.987%0.86785%0.849SS**  trans39.3125.4148.5-49.7176.6000119.3
3T34.9Very low34.8Very low129 Ų129137.6 Ų137.679%0.79184%0.843SS**  trans-81.2143.8177.445.80000115.3
4S41.2Very low34.6Very low116 Ų116138.7 Ų138.781%0.81184%0.841SS**  trans-171.8151.7151.4-850000107.5
5P47Very low34.5Very low126 Ų126138.8 Ų138.882%0.81884%0.842SS**  cis-133.1176.139.642-26.8000116.4
6S39.6Very low34.3Very low114 Ų114139.2 Ų139.280%0.79783%0.832SS**  trans-106.6148.1163.8-56.20000110.3
7V35Very low34.2Very low147 Ų147141.2 Ų141.289%0.89184%0.836SS**  trans178.7147.3132.3145.10000110.1
8S33.2Very low34.1Very low114 Ų114138.4 Ų138.480%0.79782%0.821SS**  trans-84.2157.5-175.4-38.40000113.8
9A31.2Very low33.9Very low97 Ų97142.3 Ų142.380%0.80282%0.82SS**  178.7144.3120.500000115
10L30.9Very low33.7Very low173 Ų173144.6 Ų144.691%0.90682%0.823SS**  trans6.2135153.3-9558.1000121.2
11S29.7Very low33.6Very low101 Ų101141.3 Ų141.371%0.70681%0.808SS**  -174130109.1-171.30000113.5
12N29.3Very low33.5Very low157 Ų157137.7 Ų137.784%0.8479%0.792SS**  trans58.5157.2153.2-80.3-16.5000120.7
13S32.5Very low33.5Very low110 Ų110135.8 Ų135.877%0.76978%0.784SS**  cis-145.51652440000112.7
14N31.9Very low33.4Very low153 Ų153133.8 Ų133.882%0.81878%0.775SS**  trans-61.9143.4179.2-65.2-45.5000114.8
15T33.6Very low33Very low140 Ų140139.1 Ų139.186%0.85978%0.777SS**  trans-134.1111.5136.352.20000109.4
16H31.5Very low32.4Very low145 Ų145140 Ų14067%0.67178%0.775SS**  trans-92.3127.7-177.4170-84.2000110.6V18H16-V18 PolarHBondContact CE1-O 3.18Å; H16-V18 PolarHBondContact ND1-O 3Å
17L31.6Very low32.2Very low173 Ų173140.6 Ų140.691%0.90677%0.77SS**  trans-130.378.9175.3-74.1179.3000112.2
18V32.6Very low32.4Very low92 Ų92141.5 Ų141.556%0.55877%0.767SS**  trans-139.2140.1155.1-145.70000103.3H16H16-V18 PolarHBondContact CE1-O 3.18Å; H16-V18 PolarHBondContact ND1-O 3Å
19W31.1Very low32.9Very low212 Ų212143 Ų14380%0.80377%0.767SS**  cis-152.1137.523.8-167-71.4000108.1
20E28.9Very low33.2Very low188 Ų188147 Ų14788%0.87977%0.766SS**  trans-143.4138135.5-141.6177.9-173.800109.9
21S32.3Very low33.6Very low75 Ų75144.4 Ų144.452%0.52476%0.759SS.*  trans-142.7121.4-175.9177.80000108.6
22I32Very low34Very low160 Ų160148.7 Ų148.782%0.82177%0.766SS**  trans-128.1115.3160.8-60.4-175.7000106.4
23D34.4Very low34.5Very low129 Ų129149 Ų14969%0.6977%0.766SS**  trans-88.4164.4-173.3-152-54.6000111.7
24S31.9Very low35.1Very low87 Ų87151.9 Ų151.961%0.60877%0.767SS**  trans65.4105151.8-73.40000119.5
25R33.3Very low36Very low229 Ų229150.3 Ų150.386%0.86477%0.769SS**  -157.5134.5101.8-108.2163-72.4-178-0.2115
26N34.8Very low36.9Very low143 Ų143147.2 Ų147.277%0.76575%0.749SS**  trans66.570.3149.9-58.4-1.1000120
27N34.9Very low38.4Very low128 Ų128144.3 Ų144.368%0.68474%0.743SS**  30.6118.7108.3-170.90.9000118.6
28I39.8Very low39.6Very low165 Ų165141.3 Ų141.385%0.84673%0.734SS**  -163.2138.6126.7-99.4153.5000110.3
29N41.8Very low40.8Very low146 Ų146141.3 Ų141.378%0.78174%0.738SS**  trans-74.1133-167.6-65.2-78.9000114.9
30K38.3Very low42.2Very low182 Ų182133.7 Ų133.779%0.79171%0.713SS**  trans-155.9127.2153.7-104.8164.1-170.6172.70109.8F32K30-F32 PolarHBondContact O-N 3.17Å
31P39.7Very low43.8Very low118 Ų118132.1 Ų132.177%0.76671%0.706SS**  trans-77.3105.3179.830.1-33.1000111L33P31-L33 PolarHBondContact O-N 3.03Å
32F36.9Very low45.2Very low190 Ų190134.6 Ų134.683%0.83371%0.712SS**  trans-68.5112.9167.6-79.7-91.1000109.7K30 H34K30-F32 PolarHBondContact O-N 3.17Å; F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.33Å
33L40.4Very low46.5Very low164 Ų164134.2 Ų134.286%0.85970%0.7SS**  trans-73.484.4173.3-66.2179.7000110.1P31 S35P31-L33 PolarHBondContact O-N 3.03Å; L33-S35 PolarHBondContact O-N 3.41Å
34H45.8Very low47.7Very low170 Ų170132.3 Ų132.379%0.78769%0.688SS**  trans-55.1124.8166.5-112.3-93.8000109.4F32 V36F32-H34 VanDerWaalsContact C-N 3.3Å; F32-H34 PolarHBondContact O-N 3.33Å; H34-V36 VanDerWaalsContact C-N 3.33Å; H34-V36 PolarHBondContact O-N 3.17Å
35S49.9Very low49.1Very low121 Ų121132.4 Ų132.485%0.84669%0.694SS**  trans-73.388.5177.7-72.20000109.8L33L33-S35 PolarHBondContact O-N 3.41Å
36V53.9Low50.3Low74 Ų74129.7 Ų129.745%0.44869%0.688SS.*  trans-57.5134.6-179.6-174.40000110.4H34 D40 R43H34-V36 VanDerWaalsContact C-N 3.33Å; H34-V36 PolarHBondContact O-N 3.17Å; V36-D40 HydrophobicContact CG1-CB 3.43Å; V36-D40 VanDerWaalsContact CG1-CB 3.43Å; V36-R43 HydrophobicContact CB-CG 4.19Å; V36-R43 HydrophobicContact CG1-CG 4.21Å
37P62.5Low51.6Low85 Ų85131 Ų13155%0.55268%0.682SS**  trans-54.9153.5-177.8-28.935.9000114.4S39 D40P37-S39 PolarHBondContact O-N 3.33Å; P37-D40 PolarHBondContact O-N 3.33Å
38P56.8Low52.9Low109 Ų109129 Ų12971%0.70867%0.674SS**THydrogen-bonded Turntrans-57.8-18.1-177-26.435.5000115.8
39S56.6Low54.7Low92 Ų92125.1 Ų125.164%0.64366%0.66SS**THydrogen-bonded Turntrans-87.4-8.5-175.1-45.50000114.7P37 H41P37-S39 PolarHBondContact O-N 3.33Å; S39-H41 PolarHBondContact O-N 3.42Å
40D61.6Low55.7Low52 Ų52124.7 Ų124.728%0.27866%0.656SS.*  trans-64.4129-178.2165.343.8000112.7V36 P37 L42 R43 Q44V36-D40 HydrophobicContact CG1-CB 3.43Å; V36-D40 VanDerWaalsContact CG1-CB 3.43Å; P37-D40 PolarHBondContact O-N 3.33Å; D40-L42 VanDerWaalsContact C-N 3.29Å; D40-L42 VanDerWaalsContact CG-N 3.31Å; D40-L42 PolarHBondContact O-N 3.46Å; D40-L42 WeakPolarHBondContact OD1-CB 3.44Å; D40-L42 PolarHBondContact OD1-N 3.45Å; D40-L42 VanDerWaalsContact OD2-CB 3.25Å; D40-L42 WeakPolarHBondContact OD2-CB 3.07Å; D40-L42 PolarHBondContact OD2-N 3.25Å; D40-R43 HydrophobicContact CB-CB 4.3Å; D40-R43 HydrophobicContact CB-CG 4.14Å; D40-R43 PolarHBondContact O-N 3.15Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 PolarHBondContact OD2-N 2.78Å; D40-Q44 WeakPolarHBondContact O-CG 3.5Å; D40-Q44 PolarHBondContact O-N 3.13Å
41H62.3Low56.7Low156 Ų156124.5 Ų124.572%0.72266%0.655SS**Hα-helixtrans-63.2-33.3177-77.5-132.1000112.2S39 Q44 A45S39-H41 PolarHBondContact O-N 3.42Å; H41-Q44 PolarHBondContact O-N 2.92Å; H41-A45 PolarHBondContact O-N 2.8Å
42L61.9Low57.7Low127 Ų127121.5 Ų121.567%0.66564%0.635SS**Hα-helixtrans-69-35.3179.8-139.181.3000112D40D40-L42 VanDerWaalsContact C-N 3.29Å; D40-L42 VanDerWaalsContact CG-N 3.31Å; D40-L42 PolarHBondContact O-N 3.46Å; D40-L42 WeakPolarHBondContact OD1-CB 3.44Å; D40-L42 PolarHBondContact OD1-N 3.45Å; D40-L42 VanDerWaalsContact OD2-CB 3.25Å; D40-L42 WeakPolarHBondContact OD2-CB 3.07Å; D40-L42 PolarHBondContact OD2-N 3.25Å
43R59.1Low58.8Low151 Ų151117 Ų11757%0.5762%0.619SS**Hα-helixtrans-65.6-39.2169.1-71.4-106.165.1-155.12.1112.2V36 D40 K46V36-R43 HydrophobicContact CB-CG 4.19Å; V36-R43 HydrophobicContact CG1-CG 4.21Å; D40-R43 HydrophobicContact CB-CB 4.3Å; D40-R43 HydrophobicContact CB-CG 4.14Å; D40-R43 PolarHBondContact O-N 3.15Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 PolarHBondContact OD2-N 2.78Å; R43-K46 PolarHBondContact O-N 3.48Å
44Q60.2Low59.7Low90 Ų90118.6 Ų118.642%0.42161%0.614SS.*Hα-helixtrans-69.6-39.9179.4-66.9-176.236.300112.3D40 H41 K46 R47D40-Q44 WeakPolarHBondContact O-CG 3.5Å; D40-Q44 PolarHBondContact O-N 3.13Å; H41-Q44 PolarHBondContact O-N 2.92Å; Q44-K46 PolarHBondContact O-N 3.47Å; Q44-R47 PolarHBondContact O-N 2.72Å
45A60.1Low60.2Low89 Ų89116.5 Ų116.574%0.73661%0.605SS**THydrogen-bonded Turntrans-60.1-17175.900000114.3H41H41-A45 PolarHBondContact O-N 2.8Å
46K59.8Low60.6Low172 Ų172115.9 Ų115.975%0.74859%0.592SS**THydrogen-bonded Turntrans-103.610.4175.7-66.9-173.4177.3-178.60114.2R43 Q44R43-K46 PolarHBondContact O-N 3.48Å; Q44-K46 PolarHBondContact O-N 3.47Å
47R60.8Low60.8Low171 Ų171116.7 Ų116.765%0.64560%0.597SS**PPolyproline II helixtrans-79.2120.5172.4-79.4-172.9169.7135.50.1111.1Q44Q44-R47 PolarHBondContact O-N 2.72Å
48V63.8Low60.5Low85 Ų85116.2 Ų116.252%0.51560%0.601SS.*PPolyproline II helixtrans-56.7130.8165.4176.20000108.9I50 V52V48-I50 PolarHBondContact O-N 2.91Å; V48-V52 HydrophobicContact CG1-CB 3.77Å; V48-V52 HydrophobicContact CG1-CG1 3.69Å
49P75.8Confident60.3Low84 Ų84121.5 Ų121.555%0.54561%0.607SS.*PPolyproline II helixtrans-56.8139.4-178.4-27.335000112.4K51 V52 L53P49-K51 PolarHBondContact O-N 3.36Å; P49-V52 HydrophobicContact CB-CG2 4.33Å; P49-V52 WeakPolarHBondContact O-CA 3.18Å; P49-V52 WeakPolarHBondContact O-CB 3.4Å; P49-V52 PolarHBondContact O-N 3.45Å; P49-L53 PolarHBondContact O-N 3.04Å
50I63.3Low60.1Low137 Ų137121 Ų12170%0.70360%0.603SS**Hα-helixtrans-54.7-32.4-176.5-59.7172.6000111.9V48 L53 R54V48-I50 PolarHBondContact O-N 2.91Å; I50-L53 PolarHBondContact O-N 2.96Å; I50-R54 WeakPolarHBondContact O-CG 3.5Å; I50-R54 PolarHBondContact O-N 3.36Å
51K59Low59.7Low177 Ų177121.1 Ų121.177%0.7762%0.617SS**Hα-helixtrans-65.2-38.8175.1-163.5170.2-176.7177.20112.7P49 M55P49-K51 PolarHBondContact O-N 3.36Å; K51-M55 WeakPolarHBondContact O-CG 3.46Å; K51-M55 PolarHBondContact O-N 3.48Å
52V60.5Low59.1Low56 Ų56122.4 Ų122.434%0.33962%0.623SS.*Hα-helixtrans-72.8-41.6174.5178.20000110.6V48 P49 R54 M55 L56V48-V52 HydrophobicContact CG1-CB 3.77Å; V48-V52 HydrophobicContact CG1-CG1 3.69Å; P49-V52 HydrophobicContact CB-CG2 4.33Å; P49-V52 WeakPolarHBondContact O-CA 3.18Å; P49-V52 WeakPolarHBondContact O-CB 3.4Å; P49-V52 PolarHBondContact O-N 3.45Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 2.97Å; V52-M55 PolarHBondContact O-N 3.29Å; V52-M55 VanDerWaalsContact O-N 3.07Å; V52-L56 HydrophobicContact CG1-CD1 4.14Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.89Å
53L61.3Low58.8Low95 Ų95123.4 Ų123.450%0.49763%0.627SS.*Hα-helixtrans-57.8-43.2174.5-17362.6000111.3P49 I50 M55 L56 T57P49-L53 PolarHBondContact O-N 3.04Å; I50-L53 PolarHBondContact O-N 2.96Å; L53-M55 PolarHBondContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 3.06Å; L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.19Å; L53-T57 VanDerWaalsContact O-OG1 3.09Å
54R59.2Low58.2Low198 Ų198123 Ų12375%0.74764%0.635SS**Hα-helixtrans-63.2-34.1174-75.3-124.5-85.6159.7-9.7113.7I50 V52 A58I50-R54 WeakPolarHBondContact O-CG 3.5Å; I50-R54 PolarHBondContact O-N 3.36Å; V52-R54 VanDerWaalsContact C-N 3.3Å; V52-R54 PolarHBondContact O-N 2.97Å; R54-A58 VanDerWaalsContact O-CB 3.27Å; R54-A58 WeakPolarHBondContact O-CB 3.36Å; R54-A58 PolarHBondContact O-N 3.35Å
55M56.5Low57.3Low125 Ų125125 Ų12562%0.61664%0.644SS**Hα-helixtrans-69.5-38.4172.9-66-165.4-4900112.4K51 V52 L53 A58 R59K51-M55 WeakPolarHBondContact O-CG 3.46Å; K51-M55 PolarHBondContact O-N 3.48Å; V52-M55 PolarHBondContact O-N 3.29Å; V52-M55 VanDerWaalsContact O-N 3.07Å; L53-M55 PolarHBondContact O-N 3.09Å; M55-A58 PolarHBondContact O-N 3.14Å; M55-R59 PolarHBondContact O-N 3.17Å
56L58.3Low57Low108 Ų108125.5 Ų125.557%0.56564%0.64SS**Hα-helixtrans-65.4-46.7175.9-68.5167.7000111.1V52 L53 A58 R59 S60V52-L56 HydrophobicContact CG1-CD1 4.14Å; V52-L56 HydrophobicContact CG1-CG 4.47Å; V52-L56 WeakPolarHBondContact O-CG 3.46Å; V52-L56 PolarHBondContact O-N 2.89Å; L53-L56 PolarHBondContact O-N 3.06Å; L56-A58 PolarHBondContact O-N 2.87Å; L56-R59 PolarHBondContact O-N 3.06Å; L56-S60 PolarHBondContact O-N 3.11Å; L56-S60 VanDerWaalsContact O-N 3.12Å
57T58.8Low56.5Low91 Ų91122.9 Ų122.956%0.55863%0.631SS**Hα-helixtrans-61.2-42.3174.6-54.70000111.9L53 R59 S60 G61L53-T57 PolarHBondContact O-N 3.03Å; L53-T57 PolarHBondContact O-OG1 3.19Å; L53-T57 VanDerWaalsContact O-OG1 3.09Å; T57-R59 PolarHBondContact O-N 3.38Å; T57-S60 PolarHBondContact O-N 3.24Å; T57-G61 PolarHBondContact O-N 3.25Å
58A55.9Low55.8Low75 Ų75124.4 Ų124.462%0.6264%0.638SS**Hα-helixtrans-60.2-32.7177.800000113.1R54 M55 L56R54-A58 VanDerWaalsContact O-CB 3.27Å; R54-A58 WeakPolarHBondContact O-CB 3.36Å; R54-A58 PolarHBondContact O-N 3.35Å; M55-A58 PolarHBondContact O-N 3.14Å; L56-A58 PolarHBondContact O-N 2.87Å
59R52.7Low54.9Low221 Ų221128 Ų12883%0.83465%0.653SS**Hα-helixtrans-83.5-16.3175.6-160.4168.7-177.3170.30.2113.6M55 L56 T57M55-R59 PolarHBondContact O-N 3.17Å; L56-R59 PolarHBondContact O-N 3.06Å; T57-R59 PolarHBondContact O-N 3.38Å
60S52.3Low53.3Low81 Ų81131.3 Ų131.357%0.56666%0.661SS**Hα-helixtrans-83.5-11.9177.1-166.60000114L56 T57 H62L56-S60 PolarHBondContact O-N 3.11Å; L56-S60 VanDerWaalsContact O-N 3.12Å; T57-S60 PolarHBondContact O-N 3.24Å; S60-H62 VanDerWaalsContact C-N 3.29Å; S60-H62 PolarHBondContact O-N 3.25Å
61G51.4Low52.4Low55 Ų55130.2 Ų130.257%0.56766%0.663SS**THydrogen-bonded Turntrans-75-8.2-176.200000115.9T57T57-G61 PolarHBondContact O-N 3.25Å
62H51.4Low51.4Low183 Ų183129.6 Ų129.685%0.84767%0.668SS**THydrogen-bonded Turntrans-95.32.7-174.5-98.4-69.7000115.3S60S60-H62 VanDerWaalsContact C-N 3.29Å; S60-H62 PolarHBondContact O-N 3.25Å
63I54.5Low50.5Low147 Ų147131.9 Ų131.975%0.75468%0.683SS**SBendtrans-113.9-15.3-176-59.8177.3000112.2
64L47.7Very low49.6Very low143 Ų143133.1 Ų133.175%0.74970%0.7SS**SBendtrans-130.9110.1176.9-65.4174.6000110.2P66L64-P66 WeakPolarHBondContact O-CD 3.42Å
65H41.4Very low48.4Very low132 Ų132129.5 Ų129.561%0.61170%0.7SS**  trans-69.2118.1173.2-112.4-77.2000109.9E67 Y68H65-E67 IonicContact CE1-OE2 3.73Å; H65-E67 IonicContact CG-OE2 3.58Å; H65-E67 IonicContact ND1-OE1 3.91Å; H65-E67 IonicContact ND1-OE2 2.7Å; H65-E67 PolarHBondContact ND1-OE2 3.16Å; H65-E67 PolarHBondContact O-N 3.36Å; H65-Y68 HydrophobicContact CB-CD2 3.74Å; H65-Y68 HydrophobicContact CB-CE2 3.82Å
66P53.7Low47.7Very low100 Ų100129.4 Ų129.465%0.64971%0.709SS**G310 helixtrans-66.7-19.6179.426.4-34.9000114.1L64 Y68 L69L64-P66 WeakPolarHBondContact O-CD 3.42Å; P66-Y68 PolarHBondContact O-N 3.37Å; P66-Y68 VanDerWaalsContact O-N 3.14Å; P66-L69 PolarHBondContact O-N 3.18Å; P66-L69 VanDerWaalsContact O-N 3.17Å
67E47.7Very low47.4Very low117 Ų117132.4 Ų132.455%0.54772%0.724SS.*G310 helixtrans-64.1-16-176.8-67.582.117200113.8H65 L69H65-E67 IonicContact CE1-OE2 3.73Å; H65-E67 IonicContact CG-OE2 3.58Å; H65-E67 IonicContact ND1-OE1 3.91Å; H65-E67 IonicContact ND1-OE2 2.7Å; H65-E67 PolarHBondContact ND1-OE2 3.16Å; H65-E67 PolarHBondContact O-N 3.36Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.31Å
68Y45.9Very low46.4Very low203 Ų203132.7 Ų132.780%0.79673%0.729SS**G310 helixtrans-81.7-1.2175.9-69-75.8000114.7H65 P66H65-Y68 HydrophobicContact CB-CD2 3.74Å; H65-Y68 HydrophobicContact CB-CE2 3.82Å; P66-Y68 PolarHBondContact O-N 3.37Å; P66-Y68 VanDerWaalsContact O-N 3.14Å
69L46.3Very low46Very low160 Ų160135.2 Ų135.284%0.83874%0.74SS**G310 helixtrans-116.831.6175.1-70.7178.1000113.1P66 E67 P71P66-L69 PolarHBondContact O-N 3.18Å; P66-L69 VanDerWaalsContact O-N 3.17Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.31Å; L69-P71 WeakPolarHBondContact O-CD 3.48Å
70Q42.8Very low45.6Very low153 Ų153131.1 Ų131.172%0.71573%0.733SS**PPolyproline II helixtrans-80.5118.9170-173.3168.5-1.800110.8L72Q70-L72 PolarHBondContact O-N 2.59Å
71P44.1Very low45.8Very low115 Ų115136.6 Ų136.675%0.74775%0.749SS**PPolyproline II helixtrans-64.5132.4172.4-19.233.1000110.4L69 P73L69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-P73 WeakPolarHBondContact O-CD 3.39Å
72L38.1Very low46Very low164 Ų164140.8 Ų140.886%0.85976%0.758SS**PPolyproline II helixtrans-64124.1179.1-69.4170000110.6Q70 S74Q70-L72 PolarHBondContact O-N 2.59Å; L72-S74 PolarHBondContact O-N 3.09Å
73P39.8Very low46.2Very low103 Ų103136.4 Ų136.467%0.66974%0.741SS**  trans-70.6114.7174.528.1-32.6000110.1P71 T75P71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-T75 PolarHBondContact O-N 3.39Å; P73-T75 VanDerWaalsContact O-N 3.16Å
74S42.6Very low46.3Very low121 Ų121132.7 Ų132.785%0.84673%0.732SS**  trans-77.796.3-178.556.70000111.9L72L72-S74 PolarHBondContact O-N 3.09Å
75T34.1Very low46.7Very low122 Ų122134 Ų13475%0.74873%0.732SS**  trans-133.7155.7172.4400000111.3P73P73-T75 PolarHBondContact O-N 3.39Å; P73-T75 VanDerWaalsContact O-N 3.16Å
76P41.6Very low47.7Very low123 Ų123136.4 Ų136.480%0.79974%0.74SS**  trans-88166.9-146.933.6-38000116.6
77I52.2Low48.8Very low172 Ų172134.1 Ų134.188%0.88273%0.727SS**  trans-53.5130.6176.1-68.7161.2000112.6
78S38.3Very low50.5Low96 Ų96133.3 Ų133.367%0.67173%0.732SS**  trans-144.8149.2151.359.30000109.2I80S78-I80 PolarHBondContact O-N 2.92Å
79P47.5Very low52.4Low129 Ų129129.9 Ų129.984%0.83873%0.727SS**  trans-84.5119.1-166.431.6-33.4000112
80I45.2Very low54Low134 Ų134123.9 Ų123.969%0.68770%0.7SS**  trans-99.7120.8163.6-49.8178.4000107.7S78 L82S78-I80 PolarHBondContact O-N 2.92Å; I80-L82 HydrophobicContact CB-CG 4.26Å; I80-L82 HydrophobicContact CG2-CD2 4.18Å; I80-L82 HydrophobicContact CG2-CG 3.8Å; I80-L82 PolarHBondContact O-N 3.36Å
81E55.7Low55.9Low197 Ų197121.8 Ų121.892%0.92169%0.693SS**  trans-70.371.2165.7-68.1-173.9110.800109.8D83E81-D83 PolarHBondContact O-N 3.31Å
82L55.7Low57.9Low143 Ų143121.5 Ų121.575%0.74969%0.685SS**  trans-67.5118175.1-84172.1000109.6I80 A84I80-L82 HydrophobicContact CB-CG 4.26Å; I80-L82 HydrophobicContact CG2-CD2 4.18Å; I80-L82 HydrophobicContact CG2-CG 3.8Å; I80-L82 PolarHBondContact O-N 3.36Å; L82-A84 PolarHBondContact O-N 2.8Å
83D56.4Low60.1Low90 Ų90116.7 Ų116.748%0.48167%0.668SS.*  trans-5693.7-167.5-169.731.2000113.4E81 K85 K86E81-D83 PolarHBondContact O-N 3.31Å; D83-K85 PolarHBondContact O-N 3.37Å; D83-K85 WeakPolarHBondContact OD1-CE 3.34Å; D83-K85 WeakPolarHBondContact OD1-CG 3.5Å; D83-K85 IonicContact OD1-NZ 3.91Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.45Å; D83-K86 PolarHBondContact O-N 3.03Å; D83-K86 VanDerWaalsContact O-N 3.11Å
84A55.3Low61.9Low69 Ų69117.7 Ų117.757%0.5766%0.664SS**G310 helixtrans-60.8-21.7-165.800000113.9L82 K86 S87 A90L82-A84 PolarHBondContact O-N 2.8Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-K86 VanDerWaalsContact O-N 3.15Å; A84-S87 PolarHBondContact O-N 3.33Å; A84-A90 WeakPolarHBondContact O-CB 3.23Å
85K55.9Low63.6Low172 Ų172115.3 Ų115.375%0.74864%0.644SS**G310 helixtrans-70.62.317748.6-179.2166.3-178.50115D83D83-K85 PolarHBondContact O-N 3.37Å; D83-K85 WeakPolarHBondContact OD1-CE 3.34Å; D83-K85 WeakPolarHBondContact OD1-CG 3.5Å; D83-K85 IonicContact OD1-NZ 3.91Å; D83-K85 WeakPolarHBondContact OD2-CE 3.41Å; D83-K85 WeakPolarHBondContact OD2-CG 3.45Å
86K63.1Low65.9Low181 Ų181113.7 Ų113.779%0.78764%0.637SS**G310 helixtrans-129.66.1172.6-81.4177.3178.5170.40115.9D83 A84D83-K86 PolarHBondContact O-N 3.03Å; D83-K86 VanDerWaalsContact O-N 3.11Å; A84-K86 PolarHBondContact O-N 3.46Å; A84-K86 VanDerWaalsContact O-N 3.15Å
87S75.9Confident67.7Low52 Ų52110.9 Ų110.936%0.36462%0.621SS.*  trans-72.7130.7170.9173.50000110.6A84 L89 A90 L91A84-S87 PolarHBondContact O-N 3.33Å; S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.13Å; S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 2.74Å; S87-L91 PolarHBondContact O-N 3.41Å
88P84.6Confident68.5Low101 Ų101109 Ų10966%0.65661%0.608SS**Hα-helixtrans-56.5-33.5173.6-25.834.9000112.8L91 L92P88-L91 PolarHBondContact O-N 2.79Å; P88-L92 WeakPolarHBondContact O-CG 3.33Å; P88-L92 PolarHBondContact O-N 3.01Å
89L84.6Confident69.9Low131 Ų131110.7 Ų110.769%0.68661%0.608SS**Hα-helixtrans-70.5-34.4177.5-159.771.4000112S87 A93S87-L89 PolarHBondContact O-N 3.45Å; S87-L89 PolarHBondContact OG-N 3.13Å; L89-A93 WeakPolarHBondContact O-CB 3.49Å; L89-A93 PolarHBondContact O-N 2.78Å
90A81.1Confident70.5Confident33 Ų33108.2 Ų108.227%0.27361%0.606SS.*Hα-helixtrans-73.2-35.2173.700000112.1A84 S87 A93 Q94A84-A90 WeakPolarHBondContact O-CB 3.23Å; S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 2.74Å; A90-A93 PolarHBondContact O-N 2.91Å; A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 PolarHBondContact O-N 2.95Å
91L82.9Confident71.3Confident109 Ų109107.5 Ų107.557%0.57160%0.598SS**Hα-helixtrans-63.7-40.8172.6-178.162.6000111.6S87 P88 Q94 T95S87-L91 PolarHBondContact O-N 3.41Å; P88-L91 PolarHBondContact O-N 2.79Å; L91-Q94 PolarHBondContact O-N 3.4Å; L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.49Å; L91-T95 PolarHBondContact O-OG1 3.03Å
92L86.4Confident71.2Confident110 Ų110104.1 Ų104.158%0.57659%0.593SS**Hα-helixtrans-61.1-49.7170.8-72.3169.1000111.2P88 Q94 T95 C96P88-L92 WeakPolarHBondContact O-CG 3.33Å; P88-L92 PolarHBondContact O-N 3.01Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.3Å; L92-T95 PolarHBondContact O-N 2.81Å; L92-T95 VanDerWaalsContact O-N 3.14Å; L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.35Å
93A82.6Confident70.7Confident62 Ų62104.8 Ų104.851%0.51260%0.597SS.*Hα-helixtrans-59.9-39.3177.500000113.1L89 A90 S97L89-A93 WeakPolarHBondContact O-CB 3.49Å; L89-A93 PolarHBondContact O-N 2.78Å; A90-A93 PolarHBondContact O-N 2.91Å; A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.37Å
94Q78.8Confident71Confident125 Ų125105.2 Ų105.258%0.58461%0.605SS**Hα-helixtrans-65.1-42.7174.3-178.2176.5-11.400111.5A90 L91 L92 S97 Q98A90-Q94 WeakPolarHBondContact O-CB 3.4Å; A90-Q94 PolarHBondContact O-N 2.95Å; L91-Q94 PolarHBondContact O-N 3.4Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.3Å; Q94-S97 WeakPolarHBondContact O-CB 3.29Å; Q94-S97 PolarHBondContact O-N 3.02Å; Q94-Q98 PolarHBondContact O-N 2.71Å
95T78.5Confident70.5Confident70 Ų70107.4 Ų107.443%0.42961%0.613SS.*Hα-helixtrans-63.7-46.6177.5-54.90000110.8L91 L92 S97 Q98 I99L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.49Å; L91-T95 PolarHBondContact O-OG1 3.03Å; L92-T95 PolarHBondContact O-N 2.81Å; L92-T95 VanDerWaalsContact O-N 3.14Å; T95-S97 VanDerWaalsContact C-N 3.29Å; T95-S97 PolarHBondContact O-N 2.88Å; T95-Q98 WeakPolarHBondContact O-CB 3.38Å; T95-Q98 PolarHBondContact O-N 3.38Å; T95-I99 HydrophobicContact CG2-CD1 4.17Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.17Å
96C81.6Confident70Confident88 Ų88105.5 Ų105.560%0.59562%0.619SS**Hα-helixtrans-61-34.7172.3-660000112.7L92 Q98 I99L92-C96 PolarHBondContact O-N 3.47Å; L92-C96 PolarHBondContact O-SG 2.93Å; L92-C96 VanDerWaalsContact O-SG 3.35Å; C96-Q98 VanDerWaalsContact C-N 3.28Å; C96-Q98 PolarHBondContact O-N 2.92Å; C96-I99 PolarHBondContact O-N 2.94Å
97S79.7Confident68.8Low65 Ų65102.5 Ų102.546%0.45562%0.62SS.*Hα-helixtrans-70.2-23.1174.4-165.60000112.9A93 Q94 T95 K101A93-S97 WeakPolarHBondContact O-CB 3.4Å; A93-S97 PolarHBondContact O-N 3.37Å; Q94-S97 WeakPolarHBondContact O-CB 3.29Å; Q94-S97 PolarHBondContact O-N 3.02Å; T95-S97 VanDerWaalsContact C-N 3.29Å; T95-S97 PolarHBondContact O-N 2.88Å; S97-K101 WeakPolarHBondContact O-CD 3.27Å; S97-K101 WeakPolarHBondContact O-CE 3.33Å; S97-K101 PolarHBondContact O-NZ 3.21Å; S97-K101 PolarHBondContact OG-NZ 2.93Å
98Q69.5Low67.1Low131 Ų131105.1 Ų105.161%0.61264%0.639SS**Hα-helixtrans-81.9-32.8177.1-14668.40.800111.8Q94 T95 C96 G100Q94-Q98 PolarHBondContact O-N 2.71Å; T95-Q98 WeakPolarHBondContact O-CB 3.38Å; T95-Q98 PolarHBondContact O-N 3.38Å; C96-Q98 VanDerWaalsContact C-N 3.28Å; C96-Q98 PolarHBondContact O-N 2.92Å; Q98-G100 PolarHBondContact O-N 3.48Å
99I66.6Low65.1Low133 Ų133109.4 Ų109.468%0.68265%0.647SS**THydrogen-bonded Turntrans-77.687177.2-59.1162.4000109.5T95 C96T95-I99 HydrophobicContact CG2-CD1 4.17Å; T95-I99 WeakPolarHBondContact O-CG1 3.44Å; T95-I99 PolarHBondContact O-N 3.17Å; C96-I99 PolarHBondContact O-N 2.94Å
100G61Low63.1Low76 Ų76110.6 Ų110.678%0.78465%0.653SS**THydrogen-bonded Turntrans144.8-5.5174.700000116.1Q98Q98-G100 PolarHBondContact O-N 3.48Å
101K61.8Low60.8Low119 Ų119114.3 Ų114.352%0.51768%0.677SS.*SBendtrans-87.6133.3172.2-66.1166.5-175140.20109.5S97S97-K101 WeakPolarHBondContact O-CD 3.27Å; S97-K101 WeakPolarHBondContact O-CE 3.33Å; S97-K101 PolarHBondContact O-NZ 3.21Å; S97-K101 PolarHBondContact OG-NZ 2.93Å
102P52.3Low58.4Low126 Ų126114.3 Ų114.382%0.81869%0.686SS**PPolyproline II helixtrans-67.3141171.628.9-33.6000110.4
103D45.7Very low56.1Low158 Ų158116.5 Ų116.585%0.84570%0.697SS**PPolyproline II helixtrans-73.6127.3-172.7-154.322.2000111.1
104P64.1Low53.7Low99 Ų99120.1 Ų120.164%0.64371%0.713SS**PPolyproline II helixtrans-72.1149172.830.5-34.2000110.9
105P42.9Very low51.6Low115 Ų115118.7 Ų118.775%0.74772%0.717SS**PPolyproline II helixtrans-65.5146.3-174.527.1-35.3000112.5S107P105-S107 PolarHBondContact O-N 3.39Å
106P46.1Very low49.3Very low132 Ų132123.3 Ų123.386%0.85774%0.739SS**PPolyproline II helixtrans-75.2120.1-171.329-35.2000112.8
107S37.4Very low46.8Very low117 Ų117122.9 Ų122.982%0.81875%0.749SS**  trans-121.2125.1164.265.50000110.6P105P105-S107 PolarHBondContact O-N 3.39Å
108S41.3Very low44.8Very low108 Ų108125.2 Ų125.276%0.75577%0.766SS**  trans-99.2139.7-168.2-62.60000113.6
109K41.5Very low42.9Very low190 Ų190124.5 Ų124.583%0.82678%0.775SS**  trans87.6100.7161.7-57.2176.9179.9178.50119.5
110L42.4Very low41.4Very low156 Ų156125.2 Ų125.282%0.81778%0.78SS**  70.9127.6124-69.7161.8000122.1
111S33.9Very low40.2Very low111 Ų111130.9 Ų130.978%0.77678%0.783SS**  trans70.1147.9148.7-60.50000118.3
112S33.2Very low38.9Very low109 Ų109133 Ų13376%0.76280%0.795SS**  cis-164.7163.8-10.441.40000111.4
113I36.7Very low38.1Very low156 Ų156133 Ų13380%0.880%0.799SS**  trans-14.3122.2168.3-71.7160.5000117.2
114T32.6Very low37.8Very low139 Ų139134.3 Ų134.385%0.85380%0.797SS**  -176.3174.6124.721.30000113.3
115S34.1Very low36.4Very low95 Ų95135.6 Ų135.666%0.66481%0.808SS**  trans-75.9157.3-166.653.10000119
116N31.8Very low36.1Very low167 Ų167133.4 Ų133.489%0.89381%0.806SS**  trans57.8144145-65.99.7000121.1
117G29.1Very low36.2Very low79 Ų79132.6 Ų132.681%0.81480%0.801SS**  trans137.996.8141.800000117.8
118S36.4Very low36.1Very low114 Ų114134.7 Ų134.780%0.79780%0.802SS**  trans-53.2139.9162.5152.80000114.3
119S31.1Very low35.9Very low116 Ų116137.6 Ų137.681%0.81180%0.801SS**  -174.3150.8129.440.20000114.3
120D33.8Very low35.6Very low148 Ų148135.7 Ų135.779%0.79180%0.797SS**  trans-92.1177.7177.8-56.7-99.9000114.1
121K35.9Very low35.6Very low194 Ų194134 Ų13484%0.84380%0.798SS**  trans96.2107.2157.1-64.1-172.4174.2-176.50119.9
122E34.7Very low35.9Very low163 Ų163135.4 Ų135.476%0.76280%0.797SS**  46.4122.3115-170.3167.883.400119.7
123S34.7Very low36.3Very low128 Ų128137.3 Ų137.390%0.89580%0.797SS**  trans-144149.4147.5-80.10000109.6
124K39.5Very low36.4Very low185 Ų185133 Ų13380%0.80479%0.791SS**  trans-141.5119.1-150.7169.7-177.5174.2177.40112.6
125S35.6Very low37.1Very low125 Ų125133.3 Ų133.387%0.87479%0.792SS**  trans-157.6138.4161.9490000112
126G36.5Very low37.6Very low69 Ų69136.5 Ų136.571%0.71180%0.802SS**  trans-131.4-150156.500000106.8
127P47.3Very low38Very low115 Ų115134.5 Ų134.575%0.74779%0.791SS**  cis-131.8-154.3-6.934.6-12.5000111.5
128L35.7Very low38.9Very low161 Ų161138.5 Ų138.584%0.84379%0.786SS**  trans76.9161.4168.5-42.5177.3000117.3
129K36.7Very low39.4Very low170 Ų170138.2 Ų138.274%0.73978%0.784SS**  -173.6134.7-51.3-163.4-171.6171.4-161.90107.4
130M36.4Very low40.1Very low150 Ų150138 Ų13874%0.73978%0.782SS**  trans65.4152.2178.4-62.6126.262.900113.3
131S41.1Very low40.2Very low121 Ų121140 Ų14085%0.84678%0.784SS**  cis-141.6171.332.4-63.50000114.8
132D42.2Very low40.9Very low139 Ų139140.6 Ų140.674%0.74379%0.787SS**  trans-101.9-176.4171176.8-140.6000110.5
133I39.8Very low41.1Very low149 Ų149137.1 Ų137.176%0.76478%0.779SS**  trans78.3127.2177.2-56.9105.3000114.5
134G40Very low41.3Very low65 Ų65142.9 Ų142.967%0.6778%0.783SS**  trans-88.8174.1-172.600000115.2
135V46.8Very low41.3Very low146 Ų146138.8 Ų138.889%0.88578%0.778SS**  trans-129.9117.9161-76.10000108.8
136D45.3Very low41.7Very low162 Ų162142.8 Ų142.887%0.86678%0.779SS**  trans-74.1146.2170.739.3-75.8000112.1
137D40Very low42Very low125 Ų125144.7 Ų144.767%0.66878%0.779SS**  trans-154.8148.8165.6-173.8-152.5000111.4
138K46.9Very low41.4Very low164 Ų164143.7 Ų143.771%0.71377%0.774SS**SBendtrans61.795.9171-79.2156.1-169.369.60119.6
139S48.1Very low41.5Very low108 Ų108143.3 Ų143.376%0.75577%0.773SS**  trans76.6103.3133-149.10000116.9
140S45.1Very low41.6Very low110 Ų110145.2 Ų145.277%0.76978%0.782SS**  cis68.378.832.8-156.70000115.8
141F36.3Very low41.6Very low190 Ų190146.3 Ų146.383%0.83378%0.782SS**  trans-156.195.1146.8-134.2-83.8000113.4
142K50.2Low41.1Very low208 Ų208146.6 Ų146.690%0.90477%0.774SS**  trans-152.8107.6163.2-81-173.3-178.4171.20110.9
143P38.9Very low40.8Very low90 Ų90144.4 Ų144.458%0.58477%0.77SS**  trans-122.3109.6158.232.4-18.8000111.3S145P143-S145 PolarHBondContact O-N 3.26Å
144Y39.5Very low40.6Very low248 Ų248142.1 Ų142.197%0.97377%0.767SS**  trans-74.2107.6152.1-101.3-85.4000106.9
145S39.9Very low40.4Very low100 Ų100144.7 Ų144.770%0.69978%0.775SS**  trans-148.792.3177.2-64.20000110.8P143P143-S145 PolarHBondContact O-N 3.26Å
146K43.4Very low39.7Very low209 Ų209141 Ų14191%0.90977%0.766SS**  trans-82140.9149.5-68.9-174.1174.8-172.90107.1
147P42.2Very low39.1Very low109 Ų109139.8 Ų139.871%0.70876%0.764SS**  -147.4161.3108.839-25.4000115.4
148S34.1Very low39Very low93 Ų93142 Ų14265%0.6578%0.775SS**  trans39.7113.8150620000120.2
149D38.5Very low38.4Very low154 Ų154139.9 Ų139.982%0.82478%0.781SS**  82.3115.156.1-68-51000115.4
150K38.5Very low37.7Very low210 Ų210137.5 Ų137.591%0.91377%0.774SS**  trans172143.8153.9-94.7147.9-170.9171.80107
151K36.9Very low37.3Very low173 Ų173139.7 Ų139.775%0.75277%0.772SS**  cis-167128.90.6153-179.6172.5-172.20105.6
152D30.9Very low37.4Very low127 Ų127137.9 Ų137.968%0.67976%0.763SS**  178.315790.9-101.8-38.4000106.6
153S36.1Very low37Very low92 Ų92134.6 Ų134.664%0.64376%0.761SS**  cis-153.4156.410.1-101.70000112.5
154S34.5Very low36.7Very low102 Ų102133.8 Ų133.871%0.71377%0.769SS**  trans51.7123.9150.460.50000123
155S36.3Very low36.4Very low119 Ų119132.3 Ų132.383%0.83277%0.768SS**  trans55.9131.2150.250.70000119
156G31.5Very low36.5Very low68 Ų68138.2 Ų138.270%0.70178%0.775SS**  cis86.512731.600000109.6
157V32.6Very low36.3Very low136 Ų136135.2 Ų135.282%0.82477%0.774SS**  cis-159.1162.930.6150.20000110.9
158L37.8Very low36.3Very low172 Ų172135.2 Ų135.290%0.90177%0.774SS**  trans81158.5165.8-87.1165.8000120
159S36.1Very low36.4Very low120 Ų120136.6 Ų136.684%0.83978%0.783SS**  trans-118.3149.9-171.7177.10000110.2
160G33.1Very low36.1Very low58 Ų58133.5 Ų133.560%0.59878%0.78SS**  trans155105.9168.600000115.5
161E35.7Very low35.9Very low156 Ų156129.3 Ų129.373%0.72977%0.771SS**  trans35.8128.414051.5155.7115.300122.3
162K39.2Very low35.5Very low151 Ų151126.5 Ų126.566%0.65777%0.772SS**  trans105.5130.6139.398.2-162.3124.4-69.10120.6
163T40.5Very low35.7Very low140 Ų140127.7 Ų127.786%0.85977%0.774SS**  trans72.4140.4155.560.20000121.5
164G33.3Very low36.1Very low73 Ų73128.6 Ų128.675%0.75378%0.777SS**  trans96.7115.8176.100000113
165F33.8Very low36Very low216 Ų216132.4 Ų132.495%0.94778%0.781SS**  cis-124.3159.56-110.2-111000112.1
166R41.1Very low36.4Very low225 Ų225132.6 Ų132.685%0.84978%0.778SS**  trans-89.7148.2177.4-65.9-173.9-175.4-176.22.5112.4
167V40.2Very low36.6Very low146 Ų146135.4 Ų135.489%0.88578%0.784SS**  trans-124.1110.3148.8179.80000107.9
168P41.4Very low36.7Very low109 Ų109139 Ų13971%0.70878%0.782SS**  trans-81.3153174-1431.3000112.9
169S35.6Very low36.5Very low121 Ų121136.8 Ų136.885%0.84678%0.777SS**  trans-137.7145.1177.7178.20000111.3
170A33.3Very low36.1Very low90 Ų90135 Ų13574%0.74478%0.777SS**  trans-166.1153.4167.700000108.8
171T33.6Very low36.1Very low121 Ų121137.8 Ų137.874%0.74279%0.787SS**  cis132.7141.3-5.4-81.60000109.7
172C29.8Very low36.6Very low114 Ų114135.3 Ų135.377%0.7778%0.784SS**  trans68.2158.5179.2-68.60000116.3
173Q34.6Very low36.2Very low153 Ų153134.7 Ų134.772%0.71579%0.789SS**  cis-157.6167.5-31-117.2-153.1-2.700108.3
174P44.9Very low35.8Very low110 Ų110133.2 Ų133.271%0.71478%0.784SS**  trans-87.9121.2-176.933.5-31.4000113.2
175F31.6Very low35.8Very low182 Ų182134.2 Ų134.280%0.79878%0.779SS**  trans-140.8150.1167.8-87.4-80.2000113.1
176T45Very low35.6Very low123 Ų123130.5 Ų130.576%0.75577%0.774SS**  trans-79.8159.317855.80000112.9
177P35Very low35.2Very low127 Ų127124.7 Ų124.783%0.82577%0.768SS**  trans-116.4130.8143.134-26000112.4
178R34.9Very low34.8Very low211 Ų211122.3 Ų122.380%0.79676%0.764SS**  trans-92.2155.2152.6-65.7177.278-140.59.1107.9
179T32.8Very low34.3Very low127 Ų127122 Ų12278%0.77976%0.764SS**  trans47.8120.6148.152.60000119.9
180G28.9Very low34.7Very low82 Ų82121.9 Ų121.985%0.84576%0.761SS**  trans141.3108.5148.900000116.6
181S32.2Very low35Very low117 Ų117124.4 Ų124.482%0.81876%0.759SS**  trans-89.8179.2151.7-33.20000108.8
182P47.3Very low35.2Very low103 Ų103124.5 Ų124.567%0.66976%0.761SS**  cis-134-156.8-7.234-10.7000113
183N31Very low35.3Very low139 Ų139123.4 Ų123.474%0.74376%0.755SS**  trans82.4131.2165.8-52.8-14.7000116.4
184S32.1Very low34.9Very low108 Ų108125.6 Ų125.676%0.75577%0.765SS**  cis86.1132.533.3-59.10000113.6
185S31.8Very low34.2Very low95 Ų95123.7 Ų123.766%0.66477%0.766SS**  cis-169170.8-3.3-87.90000112.1
186T31.1Very low34.1Very low137 Ų137124.3 Ų124.384%0.8477%0.768SS**  trans69160.9146.933.60000120.5
187S32Very low33.4Very low103 Ų103124.3 Ų124.372%0.7277%0.772SS**  cis-162.5149.9-0.942.20000114
188A30.7Very low33.3Very low96 Ų96121.4 Ų121.479%0.79377%0.765SS**  trans-160.9111.9138.600000107.7
189S32.4Very low33Very low103 Ų103117 Ų11772%0.7276%0.757SS**  84.9138.857.5-670000112.7
190P44.1Very low33.3Very low118 Ų118119.9 Ų119.977%0.76675%0.754SS**  cis-132.9140.631.538.5-21.3000118.6
191M39.1Very low33.6Very low143 Ų143123 Ų12370%0.70475%0.746SS**  36.1139124.9-72.9-71.393.600121.9S193M191-S193 PolarHBondContact SD-N 3.3Å
192P36.8Very low33.8Very low123 Ų123123.5 Ų123.580%0.79974%0.74SS**  -129.9136.15337.6-23.7000119
193S31.9Very low33.5Very low91 Ų91125.4 Ų125.464%0.63674%0.737SS**  trans25.2123.7145.8-50.50000122.3M191 G195M191-S193 PolarHBondContact SD-N 3.3Å; S193-G195 PolarHBondContact O-N 3.43Å
194E26.6Very low33.8Very low199 Ų199126.1 Ų126.193%0.9373%0.734SS**  trans-69.5119.7140.6-74.3-172.4171.700110.4
195G31.5Very low33.9Very low70 Ų70126.1 Ų126.172%0.72273%0.726SS**  trans-89.4107.9157.300000109.8S193S193-G195 PolarHBondContact O-N 3.43Å
196K29.5Very low34.2Very low195 Ų195126.1 Ų126.185%0.84873%0.726SS**  trans-7.7137.1163.5-172.38672.8178.80117.2
197C30Very low34.4Very low124 Ų124127 Ų12784%0.83873%0.725SS**  trans75.4142.6171.5-125.80000113.6
198G32.3Very low34.7Very low65 Ų65128 Ų12867%0.6773%0.731SS**  cis135.6157.20.300000111.2
199D29Very low34.9Very low120 Ų120129.6 Ų129.664%0.64273%0.726SS**  trans65.1147.7165.2-164.1-155.3000118
200R39.8Very low35.3Very low187 Ų187132.2 Ų132.271%0.70672%0.724SS**  trans60.7161.8172.4-69.6-164.8-175.468.726.7118.2
201E34.6Very low34.6Very low147 Ų147134.3 Ų134.369%0.68773%0.729SS**  cis-176.7162.3-37.2-112.8179.3126.100103.6
202D37.1Very low34.2Very low128 Ų128130.6 Ų130.668%0.68473%0.728SS**  trans63.9152.1160.5-91.9-19.8000116.1
203K39.1Very low34Very low142 Ų142131.1 Ų131.162%0.61773%0.729SS**  cis172.6156-2.3167.1-174.4-115.592.40107.8
204K39Very low34.1Very low154 Ų154132 Ų13267%0.6773%0.73SS**  trans67138.6162.8-95.949.4-141.6-26.30116.3
205D33.6Very low34.4Very low109 Ų109130 Ų13058%0.58373%0.726SS**  cis-176.8-177.7-16.7-124.2-157.3000109.9
206S38.8Very low34.4Very low95 Ų95130.4 Ų130.466%0.66473%0.731SS**  trans67.591.3148.2-65.90000117.9
207D34.4Very low34.9Very low154 Ų154127.5 Ų127.582%0.82474%0.735SS**  -2.3128.8110.9-62.4-103.2000116.7
208C37.9Very low34.9Very low125 Ų125125 Ų12585%0.84573%0.73SS**  175.1165.4105.554.20000110.9
209N34.9Very low35.1Very low129 Ų129128.2 Ų128.269%0.6974%0.737SS**  cis-177.9163.2-31.3-173.11.2000106.2
210K40.4Very low35.4Very low158 Ų158129.2 Ų129.269%0.68775%0.747SS**  trans68.1110.3156.4-85.5158.8-178.6176.20122.4
211N31.1Very low35.2Very low162 Ų162127 Ų12787%0.86675%0.749SS**  80.2149.6117.4-66.924.1000122.8
212G30.5Very low35.3Very low66 Ų66124.2 Ų124.268%0.6875%0.746SS**  trans124.8110.3-172.700000108.8
213T32.8Very low35.2Very low133 Ų133127 Ų12782%0.81676%0.755SS**  cis62.2119.733-99.50000110.7
214T33.3Very low35.2Very low109 Ų109125.4 Ų125.467%0.66976%0.761SS**  cis-153.4168.614.69.50000112.3
215D33.3Very low35.2Very low158 Ų158129.7 Ų129.785%0.84577%0.773SS**  trans31.4133.3151.1-60.7-61.3000122.5
216G31.4Very low35.3Very low79 Ų79132.3 Ų132.381%0.81479%0.785SS**  trans176.7107.4164.100000113.8
217S38.6Very low34.8Very low133 Ų133133.4 Ų133.493%0.9379%0.793SS**  trans-75.6131.6177.2-176.30000111.9
218G31.2Very low34.7Very low71 Ų71132.5 Ų132.573%0.73279%0.793SS**  trans-160.7120.3174.800000111.7
219T36.2Very low34.5Very low133 Ų133132.6 Ų132.682%0.81680%0.795SS**  trans-88.4135.6-177.847.20000111.9
220T35.2Very low34.6Very low141 Ų141132.3 Ų132.387%0.86580%0.802SS**  trans-168.1127.3147.47.40000114.3
221N35.7Very low34.3Very low140 Ų140128.8 Ų128.875%0.74981%0.81SS**  trans61.9130.7134.4-150.219.5000123.7
222S36.6Very low34.4Very low90 Ų90124.7 Ų124.763%0.62981%0.806SS**  trans57.798.3146.161.10000121.6
223H36.1Very low34.8Very low187 Ų187129.7 Ų129.787%0.86682%0.816SS**  trans-121.8155.3142.1-59.9-91.7000107.7
224S37.3Very low34.7Very low107 Ų107130.5 Ų130.575%0.74882%0.815SS**  cis-139.5155.69.7-59.80000111.4
225R39.6Very low34.7Very low245 Ų245131.8 Ų131.893%0.92582%0.822SS**  trans-115.2123158.2-74.6-83.4-84.8-91.6-1.1107.9
226I37Very low34.6Very low163 Ų163132 Ų13284%0.83682%0.818SS**  trans-78.2131.2176.1-60.7171.1000108.3
227S27.1Very low34.4Very low119 Ų119133.6 Ų133.683%0.83281%0.812SS**  trans-151.4120.6160.3-163.40000108.4
228V33.4Very low33.9Very low135 Ų135133.6 Ų133.682%0.81880%0.802SS**  trans-107.2124.3175.8-76.30000108.6
229S33.5Very low33.9Very low126 Ų126137.2 Ų137.288%0.88180%0.799SS**  trans-96.4145171.9-167.90000109.5
230C36.9Very low33.7Very low124 Ų124137 Ų13784%0.83879%0.789SS**  trans-127.4145.6-178.959.30000111.4
231G33.8Very low33.4Very low83 Ų83137.2 Ų137.286%0.85678%0.78SS**  trans117134.8-172.100000110.5
232G33.9Very low32.9Very low76 Ų76138.4 Ų138.478%0.78478%0.781SS**  cis174.7140.3-6.200000109.2
233I37.1Very low32.6Very low172 Ų172140.4 Ų140.488%0.88279%0.789SS**  trans-119127.1179.753.8169000111.4
234N32.3Very low33Very low150 Ų150137.5 Ų137.580%0.80279%0.788SS**  trans-122.5134.8158.2-175.6-2.5000105.6
235V33.4Very low32.5Very low135 Ų135135.9 Ų135.982%0.81879%0.787SS**  trans-140.1123.3179.2-1790000107.9
236E29.8Very low32.2Very low164 Ų164129.8 Ų129.877%0.76678%0.782SS**  trans-123.7124-174.6-166.8-175.293.300111
237V28.5Very low31.9Very low111 Ų111131.8 Ų131.867%0.67379%0.785SS**  trans71.8148.4147.4164.40000122.1
238N28.1Very low32Very low134 Ų134130.5 Ų130.572%0.71778%0.781SS**  trans79.3140.7165.5-77.1-16.3000118.3
239Q31.6Very low32.3Very low146 Ų146129.2 Ų129.268%0.68278%0.776SS**  cis-158.4173.16.3-127.6178.3155.500110.1
240H30.4Very low32.1Very low128 Ų128128.1 Ų128.159%0.59377%0.768SS**  cis-161.1161.80.6-16044000109
241Q30.4Very low31.9Very low146 Ų146126.7 Ų126.768%0.68276%0.76SS**  trans59.7136.6145.5-147.714552.500119.7
242E24.9Very low31.5Very low165 Ų165130.2 Ų130.277%0.77175%0.754SS**  cis-130.4178.824.7-75.6-82.252.400113.8
243T30.6Very low31.3Very low132 Ų132131.7 Ų131.781%0.8175%0.752SS**  trans-135.1-177.6177.115.10000111
244P44.4Very low31Very low127 Ų127128.6 Ų128.683%0.82575%0.746SS**  cis-126.9173.4-1.340.8-25.1000115.7
245G26.7Very low30.8Very low72 Ų72126.7 Ų126.774%0.74274%0.744SS**  trans-159.831.1-17200000120.8
246S31.7Very low30.6Very low117 Ų117127.4 Ų127.482%0.81874%0.742SS**  trans59.3117.6159.1-64.20000122.5
247K31.2Very low30.6Very low205 Ų205125 Ų12589%0.89174%0.739SS**  trans74.8111.4148.9-63-174177.5-177.40120.7
248A29Very low30.7Very low92 Ų92125 Ų12576%0.7674%0.743SS**  trans-80.2-172.5153.800000110.3
249P40.1Very low30.7Very low109 Ų109122.9 Ų122.971%0.70875%0.745SS**  cis-141.8-169.98.644.1-24.8000116.8
250S29Very low30.9Very low102 Ų102121.2 Ų121.271%0.71375%0.749SS**  trans72.9144.1149.766.80000119.1
251S32.8Very low31.3Very low94 Ų94120.8 Ų120.866%0.65776%0.761SS**  cis-163.5172.2-11-106.10000113.5
252E26.6Very low31.4Very low158 Ų158118.8 Ų118.874%0.73877%0.769SS**  trans-40.3168.1162.164-114.66300116.7
253S29.7Very low32.1Very low107 Ų107117.3 Ų117.375%0.74878%0.777SS**  cis-169.8-175.9-16.5-99.80000109.1
254S29.9Very low32.1Very low106 Ų106114.2 Ų114.274%0.74177%0.771SS**  trans-4.7139.6156.360.70000118.3
255S27.6Very low31.7Very low111 Ų111117.1 Ų117.178%0.77678%0.779SS**  -172.8167.267.642.60000116.4
256I29.4Very low32.1Very low149 Ų149117.3 Ų117.376%0.76478%0.781SS**  trans-49.8165.7162.159.6172.4000113.4
257T30.4Very low32.4Very low115 Ų115118 Ų11871%0.70679%0.786SS**  cis-166.4174.821-18.80000112
258S29.5Very low32.5Very low110 Ų110111.1 Ų111.177%0.76977%0.773SS**  trans98.2121.3143.4-64.20000123.9
259A28.6Very low33Very low90 Ų90115.3 Ų115.374%0.74478%0.782SS**  71.395.5127.500000123.8
260S35.9Very low32.7Very low111 Ų111116.8 Ų116.878%0.77679%0.788SS**  38111.9119.9-50.60000123.8
261S38.8Very low33Very low119 Ų119116.1 Ų116.183%0.83279%0.79SS**  52.2128.5126.767.20000123.5
262A32.7Very low33.6Very low104 Ų104117.1 Ų117.186%0.8679%0.793SS**  trans-153.3163.1146.600000111.6
263S39.6Very low33.8Very low133 Ų133116.2 Ų116.293%0.9380%0.799SS**  trans-126.4160.9174.7-540000110.6
264G29.8Very low33.9Very low68 Ų68116.1 Ų116.170%0.70180%0.798SS**  trans-177.4157172.400000116.3
265L37.9Very low34.8Very low187 Ų187116.1 Ų116.198%0.97980%0.796SS**  trans70.2141.9176.7-45.5-177.4000115.6
266G34.4Very low35Very low77 Ų77121.3 Ų121.379%0.79480%0.799SS**  cis-143.3-172.81.500000112.9
267S37Very low35.3Very low130 Ų130123.8 Ų123.891%0.90981%0.805SS**  trans-134.4145-166.4-176.30000114.3
268G33.2Very low35.8Very low61 Ų61124.1 Ų124.163%0.62981%0.809SS**  trans100.5105142.300000119.3
269L40.3Very low36Very low180 Ų180122.2 Ų122.294%0.94281%0.807SS**  trans-152.2164.6133.6-81-165.1000108.8
270V33.4Very low36.4Very low140 Ų140126 Ų12685%0.84881%0.809SS**  trans-138.3146.1-157.3163.60000114.1
271A35.3Very low36.5Very low89 Ų89127.3 Ų127.374%0.73681%0.813SS**  trans72.2163.4162.300000119.2
272P45.4Very low36.4Very low114 Ų114127.7 Ų127.774%0.7481%0.809SS**  cis-130.7153.7-1522.60.2000117.1
273V31.3Very low36.8Very low140 Ų140131.4 Ų131.485%0.84881%0.806SS**  trans35.4135135.9-163.20000122.9
274S31.5Very low37.2Very low104 Ų104130.8 Ų130.873%0.72780%0.8SS**  trans-69.3-163.8171.2-31.80000115
275P48.4Very low37.5Very low107 Ų107134.7 Ų134.770%0.69580%0.804SS**  cis-139.4-172.5-9.730.1-4.8000116.7
276Y31.4Very low38.1Very low219 Ų219130.9 Ų130.986%0.85979%0.79SS**  trans69.7119.9157.5-87.3-76.2000122.9
277K35.9Very low38.7Very low201 Ų201133.3 Ų133.387%0.87479%0.792SS**  -176.8169.7104.2-100.4-155.5172.8-177.70113.8
278P42.2Very low38.7Very low122 Ų122132 Ų13279%0.79279%0.789SS**  trans-122.3167.1-160.843.3-33.2000118.1
279G33.5Very low38.8Very low70 Ų70132.4 Ų132.472%0.72279%0.793SS**  trans161.6120.7161.100000111
280Q36.4Very low38.6Very low169 Ų169132.1 Ų132.179%0.7979%0.789SS**  86.188.861.6-88-73.217.800115.6
281T38.5Very low38.4Very low140 Ų140133.5 Ų133.586%0.85979%0.786SS**  trans-149.782.8154.253.40000112.5
282V35.8Very low38.2Very low126 Ų126139.4 Ų139.476%0.76479%0.791SS**  trans28120.7137-178.40000120.1
283F40.7Very low38.4Very low182 Ų182139.7 Ų139.780%0.79879%0.792SS**  trans-69.5160.4159.9-107.3-98.6000112.4
284P48.7Very low38.4Very low121 Ų121136.6 Ų136.679%0.78679%0.789SS**  -142.9131.3121.634.7-20.4000116.4
285L35.6Very low38.7Very low150 Ų150137.4 Ų137.479%0.78579%0.794SS**  trans-155.2155.3157.8-90.9172.6000106.5
286P50.3Low38.2Very low106 Ų106140.6 Ų140.669%0.68881%0.805SS**  cis-113.7-150.3-18.135.2-16.4000109.9
287P46.9Very low38.3Very low129 Ų129133.5 Ų133.584%0.83880%0.799SS**  -139.7169.1101.338.6-27000114.4
288A38.4Very low38.1Very low103 Ų103128.5 Ų128.585%0.85179%0.794SS**  trans-144.4153.1175.600000111.8
289G34.6Very low37.6Very low69 Ų69133.9 Ų133.971%0.71180%0.801SS**  trans109147.1-178.700000113.2
290M36.5Very low37.6Very low174 Ų174135 Ų13586%0.85780%0.804SS**  cis-155.9169-0-98.1-60.8-8100111.2
291H28.4Very low37.3Very low168 Ų168130 Ų13078%0.77880%0.797SS**  trans83.9135.4156.3-120.474.3000120.5
292Y31.7Very low36.9Very low214 Ų214134.5 Ų134.584%0.83980%0.8SS**  trans-91.9148.1163.7-117.7-91.4000108.6
293P49.8Very low37.2Very low119 Ų119133 Ų13377%0.77379%0.793SS**  -150.9171115.238.7-24000114.9
294G31.3Very low36.8Very low76 Ų76132.3 Ų132.378%0.78479%0.792SS**  trans93.6109.814400000118.1
295S37.4Very low36.1Very low120 Ų120132.8 Ų132.884%0.83978%0.783SS**  trans-70.8143.2161.6172.30000111.9
296L37.8Very low35.7Very low174 Ų174135.5 Ų135.591%0.91179%0.785SS**  trans-172.6135.6151.4-107.6165.6000112.7
297G32.9Very low35.1Very low71 Ų71138.2 Ų138.273%0.73279%0.793SS**  trans78.6118.3166.900000116.3
298A31.6Very low35.1Very low95 Ų95136.5 Ų136.579%0.78578%0.781SS**  cis109.3150.413.900000114.6
299Y31.8Very low34.9Very low235 Ų235140.5 Ų140.592%0.92278%0.782SS**  trans66.6131.4-164.7-77.9-106.8000114.9
300A35.2Very low34.5Very low95 Ų95141 Ų14179%0.78579%0.787SS**  cis-157.2162.9-1200000108.4
301G28.5Very low34.1Very low63 Ų63136.6 Ų136.665%0.64979%0.786SS**  cis165.5171.5-2.400000110.8
302Y30.7Very low34.1Very low235 Ų235133.7 Ų133.792%0.92279%0.785SS**  trans80.5144179.7-80.2-103.7000117.5
303P42.8Very low34.2Very low94 Ų94131.1 Ų131.161%0.6179%0.785SS**  -138.7-175-124.542-23.3000116.1
304Q32.1Very low33.5Very low168 Ų168132.7 Ų132.779%0.78579%0.792SS**  trans-136.7120.2170.8-114.9-68.21300111.5
305H32.8Very low33.5Very low131 Ų131136.2 Ų136.261%0.60679%0.793SS**  trans-152.9140.7170.7-41.7-84.2000105.8
306Y29.1Very low33.3Very low207 Ų207134.1 Ų134.181%0.81278%0.782SS**  cis-148.4162.322.8-80-93.6000112.9
307L37.4Very low32.9Very low163 Ų163134 Ų13485%0.85378%0.777SS**  trans-125.9173145.5-110.982.4000106.5
308P47.2Very low33Very low92 Ų92138 Ų13860%0.59778%0.781SS**  cis-132.2-160.60.933.3-10.1000114
309H32.2Very low33.1Very low188 Ų188138 Ų13887%0.8778%0.781SS**  trans78.7147.4179.6-46.484.3000115.5
310G26.6Very low33Very low80 Ų80132.2 Ų132.283%0.82578%0.775SS**  cis161.9122.4-14.100000115
311G28.2Very low32.8Very low81 Ų81135.8 Ų135.884%0.83578%0.777SS**  trans102.8140.6154.700000120.6
312S28.2Very low33Very low106 Ų106136 Ų13674%0.74178%0.78SS**  trans85.396.6141.1-161.40000123.9
313L34.1Very low33.1Very low160 Ų160131 Ų13184%0.83878%0.777SS**  57.8109126.7-55.7176.8000122.9
314V35.4Very low32.6Very low152 Ų152132.3 Ų132.392%0.92179%0.789SS**  -173.9151.7120.2-89.40000107.2
315N30.9Very low32.6Very low151 Ų151134.6 Ų134.681%0.80780%0.797SS**  cis-135.8175.70.5-174.321.2000109.1
316A32.7Very low32.8Very low75 Ų75133.3 Ų133.362%0.6281%0.809SS**  trans-121.6-164.4-171.200000114.8
317Q30.6Very low32.9Very low173 Ų173127.4 Ų127.481%0.80881%0.811SS**  trans82.4134.6173.9-48.1-176.7-70.800115.1
318L34Very low33.1Very low153 Ų153125.1 Ų125.180%0.80181%0.808SS**  cis-128.1135.70.2-73.892.2000109.7
319A34.3Very low32.7Very low97 Ų97125.9 Ų125.980%0.80282%0.816SS**  61.4135.894.100000115.2
320S30.5Very low33.3Very low112 Ų112123 Ų12378%0.78381%0.814SS**  cis-159.61720.4-148.70000107.8
321M31.5Very low34.1Very low170 Ų170127.7 Ų127.784%0.83782%0.819SS**  cis-122.6-134.28.9-55.4163.857.800109.4
322G31Very low34.6Very low68 Ų68128.5 Ų128.570%0.70182%0.818SS**  cis124.81281.900000112.1
323C33.8Very low35.4Very low129 Ų129127.5 Ų127.587%0.87283%0.825SS**  cis-135.8172.7-4.3-73.50000110.9
324S31.5Very low35.6Very low123 Ų123124.6 Ų124.686%0.8682%0.824SS**  trans-117.9152.4-15536.80000117.2
325K33.2Very low35.7Very low216 Ų216122.8 Ų122.894%0.93982%0.818SS**  trans-153.3159.3142.8-154.7153.4-173.9172.60111.3
326A36.6Very low36.5Very low104 Ų104121 Ų12186%0.8682%0.815SS**  trans-108.4162.5-167.600000114.2
327G32Very low37.4Very low83 Ų83123 Ų12386%0.85682%0.821SS**  trans162.5136.3170.600000111.6
328S40.1Very low38.2Very low115 Ų115120.8 Ų120.880%0.80483%0.825SS**  trans-122.3156.7-173.149.80000113.7
329S38.6Very low39Very low108 Ų108120.9 Ų120.976%0.75583%0.825SS**  trans68.2144.8174.1-62.20000117.2
330P45.1Very low39.6Very low128 Ų128125 Ų12583%0.83183%0.829SS**  -131.8139.2106.436.4-29000113.8
331L43.8Very low40.5Very low177 Ų177125.4 Ų125.493%0.92783%0.832SS**  trans-139.171169.4-112.9176000109.5
332A38.7Very low41.4Very low98 Ų98121 Ų12181%0.8182%0.823SS**SBendtrans-161.4144.5168.100000108.9
333G45.3Very low42.4Very low86 Ų86123.3 Ų123.389%0.88783%0.828SS**  trans-82134.5-176.900000113.4
334A37.9Very low43.4Very low99 Ų99123 Ų12382%0.81882%0.817SS**  trans-138.1145161.600000108.9
335S36.9Very low44.4Very low114 Ų114120 Ų12080%0.79780%0.796SS**PPolyproline II helixtrans-64.6146.9-171.4-52.90000113.4
336P49.3Very low45.4Very low114 Ų114120.9 Ų120.974%0.7479%0.793SS**PPolyproline II helixtrans-64.3144168.829-34.6000110.6S338P336-S338 PolarHBondContact O-N 3.31Å
337P50.8Low46.2Very low117 Ų117119.9 Ų119.976%0.7677%0.773SS**PPolyproline II helixtrans-71.1129.4-175.728.2-34.4000111.8I339P337-I339 PolarHBondContact O-N 2.98Å
338S48.2Very low47.6Very low126 Ų126121.6 Ų121.688%0.88177%0.769SS**  trans-74.7103.1172-67.80000110.7P336P336-S338 PolarHBondContact O-N 3.31Å
339I50.7Low48.3Very low155 Ų155125.4 Ų125.480%0.79577%0.768SS**  trans-96.1110.8167.153.8172.5000110.4P337P337-I339 PolarHBondContact O-N 2.98Å
340M46.8Very low49.1Very low182 Ų182123.1 Ų123.190%0.89775%0.751SS**  trans29.6102.5163.8-69.7167.462.600117.6A342M340-A342 PolarHBondContact O-N 3.47Å
341S49.1Very low49.8Very low121 Ų121125 Ų12585%0.84675%0.753SS**  trans-65.582.7172.3550000113.2S343S341-S343 PolarHBondContact O-N 2.9Å; S341-S343 VanDerWaalsContact O-N 3.15Å
342A50Low50.1Low78 Ų78121.3 Ų121.365%0.64574%0.742SS**  trans-7689.9159.900000108.8M340 L344M340-A342 PolarHBondContact O-N 3.47Å; A342-L344 HydrophobicContact CB-CG 4.33Å; A342-L344 PolarHBondContact O-N 2.84Å
343S52.9Low50.4Low116 Ų116126 Ų12681%0.81174%0.74SS**  trans-73.261.7177.758.70000111.7S341 C345S341-S343 PolarHBondContact O-N 2.9Å; S341-S343 VanDerWaalsContact O-N 3.15Å; S343-C345 PolarHBondContact O-N 2.83Å
344L54.5Low50.5Low122 Ų122131.2 Ų131.264%0.63974%0.741SS**  trans-66114.8177.4-66.8172.2000109.2A342 R346A342-L344 HydrophobicContact CB-CG 4.33Å; A342-L344 PolarHBondContact O-N 2.84Å; L344-R346 PolarHBondContact O-N 3.15Å
345C52.5Low50.4Low62 Ų62131.7 Ų131.742%0.41974%0.737SS.*  trans-44.3129.1-169-166.30000113S343 D347 C350S343-C345 PolarHBondContact O-N 2.83Å; C345-D347 VanDerWaalsContact C-N 3.32Å; C345-C350 HydrophobicContact CB-CB 3.64Å; C345-C350 WeakPolarHBondContact CB-SG 3.47Å; C345-C350 WeakPolarHBondContact SG-CB 3.27Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 3.21Å
346R53.8Low50.6Low233 Ų233130.8 Ų130.888%0.87974%0.736SS**  trans-96.924.7-179.7-119.265.9171.5-178.4-1.3113.2L344L344-R346 PolarHBondContact O-N 3.15Å
347D53.7Low49.9Very low83 Ų83131 Ų13144%0.44474%0.74SS.*  trans-104.5125.9179.2-178.6-16.3000109.5C345 Y349 C350C345-D347 VanDerWaalsContact C-N 3.32Å; D347-Y349 PolarHBondContact O-N 3.11Å; D347-Y349 VanDerWaalsContact O-N 3.14Å; D347-Y349 PolarHBondContact OD1-N 3.44Å; D347-C350 HydrophobicContact CB-CB 4.05Å; D347-C350 WeakPolarHBondContact O-CB 3.45Å; D347-C350 PolarHBondContact O-N 2.97Å
348P60.9Low49.5Very low119 Ų119134.4 Ų134.477%0.77375%0.746SS**THydrogen-bonded Turntrans-63.8-10.8177.126.9-34.9000114.6
349Y54Low49.1Very low196 Ų196136.7 Ų136.777%0.76975%0.747SS**THydrogen-bonded Turntrans-107.710.1179-58.1-74000114D347 L351D347-Y349 PolarHBondContact O-N 3.11Å; D347-Y349 VanDerWaalsContact O-N 3.14Å; D347-Y349 PolarHBondContact OD1-N 3.44Å; Y349-L351 PolarHBondContact O-N 3.23Å
350C57.1Low48.3Very low59 Ų59133.7 Ų133.740%0.39975%0.746SS.*  trans-74.864.8-174.7-1340000113.3C345 D347 S352C345-C350 HydrophobicContact CB-CB 3.64Å; C345-C350 WeakPolarHBondContact CB-SG 3.47Å; C345-C350 WeakPolarHBondContact SG-CB 3.27Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 3.21Å; D347-C350 HydrophobicContact CB-CB 4.05Å; D347-C350 WeakPolarHBondContact O-CB 3.45Å; D347-C350 PolarHBondContact O-N 2.97Å; C350-S352 PolarHBondContact O-N 3.34Å
351L58.3Low47.7Very low167 Ų167129 Ų12987%0.87474%0.743SS**  trans-79.734.2-168.7-14683.1000114.7Y349Y349-L351 PolarHBondContact O-N 3.23Å
352S51.7Low47.1Very low100 Ų100128.2 Ų128.270%0.69974%0.744SS**  trans-156.295.9-177.2-77.40000113.4C350C350-S352 PolarHBondContact O-N 3.34Å
353Y43.6Very low46.3Very low197 Ų197129.2 Ų129.277%0.77375%0.753SS**  trans-148.3109.2148.6-98.6-70.3000111.3
354H47.5Very low45.5Very low196 Ų196129.8 Ų129.891%0.90776%0.757SS**  trans-81.4114.7155.2-94.1-24.4000108.6
355C36.2Very low44.5Very low109 Ų109128.2 Ų128.274%0.73676%0.762SS**  trans-129.898.6156-70.60000108
356A41.2Very low43.4Very low94 Ų94130.8 Ų130.878%0.77778%0.78SS**  trans-69.7137.4168.400000109.3
357S34.8Very low42.3Very low118 Ų118127.3 Ų127.383%0.82577%0.774SS**  trans-14899.3167.4-74.60000108.1L359S357-L359 PolarHBondContact O-N 3.2Å
358H41.4Very low41.3Very low190 Ų190131.3 Ų131.388%0.8879%0.79SS**  trans-62.2129.1172.1-92.2-124.3000109.8
359L39.5Very low39.8Very low174 Ų174132.1 Ų132.191%0.91180%0.797SS**  trans-136.1137.6136.2-161.659.5000108.3S357S357-L359 PolarHBondContact O-N 3.2Å
360A34.7Very low38.9Very low92 Ų92129.7 Ų129.776%0.7679%0.792SS**  trans-73.6151.6-167.700000112.4
361G34Very low37.5Very low82 Ų82133.8 Ų133.885%0.84581%0.81SS**  trans-76.6164.1177.600000113.6
362A35.7Very low36.3Very low105 Ų105132 Ų13287%0.86880%0.802SS**  trans-130.8139.5170.800000110.8
363A34.9Very low35.2Very low100 Ų100131.4 Ų131.483%0.82680%0.803SS**  trans-28.4139.9-174.300000120
364S35.1Very low34.9Very low127 Ų127130.1 Ų130.189%0.88881%0.806SS**  trans-96.5103.3154.355.60000110.8
365A34.3Very low34.2Very low90 Ų90130 Ų13074%0.74480%0.803SS**  trans-165.3163169.900000111
366S29.4Very low34Very low115 Ų115130.3 Ų130.380%0.80481%0.806SS**  trans66.9102.7-178-161.60000114.3
367Q31Very low33.4Very low161 Ų161129.1 Ų129.175%0.75280%0.803SS**  cis86.293.217.1-153.1173.5-1.200116.3
368Q32.1Very low33.2Very low166 Ų166133.9 Ų133.978%0.77681%0.805SS**  trans48.2124.3154.6-66.7172.6-93.600120.4
369C28.2Very low33Very low137 Ų137133.8 Ų133.893%0.92680%0.804SS**  trans-137.4147.5136-157.70000109
370H37.1Very low32.8Very low144 Ų144133 Ų13367%0.66780%0.796SS**  trans-152.3114.8-162.5-158.1-76.2000109.5
371D26.1Very low32.9Very low145 Ų145136.8 Ų136.878%0.77580%0.8SS**  trans-164.7100161.1-111.7-40.6000114.2
372N33.2Very low33Very low130 Ų130142.9 Ų142.970%0.69580%0.798SS**  49.1163.3120-62.5-47.5000123.8
373A29.9Very low33.3Very low88 Ų88142.8 Ų142.873%0.72779%0.789SS**  trans78.8122.9175.500000116.8
374M36.6Very low33.2Very low169 Ų169143 Ų14383%0.83378%0.781SS**  cis-150.2143.7-4-85.7-65.1174.200112
375K32.5Very low33.2Very low195 Ų195145.4 Ų145.485%0.84878%0.777SS**  trans34.5132.1130.7-155.6174.8-176.4178.80119.1
376S31.7Very low33.5Very low114 Ų114148.6 Ų148.680%0.79778%0.781SS**  cis-172.4151.22.6162.20000110.3
377G29.3Very low33.8Very low70 Ų70149.9 Ų149.972%0.72278%0.778SS**  trans-179.983.617300000117.7
378Y30.8Very low34.1Very low218 Ų218151 Ų15186%0.85578%0.783SS**  trans30.8104.7157.6-76.4-89.2000121.1
379H35.9Very low34.2Very low188 Ų188146.6 Ų146.687%0.8778%0.783SS**  -146.2133.4123.2-127.160.4000113.7
380H35.8Very low34.4Very low158 Ų158149 Ų14973%0.73178%0.782SS**  trans-100.6150.5162-100.839.4000106
381M36.8Very low34.4Very low171 Ų171150.7 Ų150.784%0.84279%0.79SS**  cis-135.7164.813.2-65.5-171.272.200113.4
382Y35.6Very low34.6Very low209 Ų209149 Ų14982%0.8279%0.79SS**  trans-69.1178.1163.3-87.1-100000112.7
383P42.7Very low34.8Very low103 Ų103148.3 Ų148.367%0.66980%0.795SS**  cis-128.7155.8220.83000117.1
384T32.2Very low35.5Very low106 Ų106150 Ų15065%0.6580%0.799SS**  trans-76.4148.5155.749.30000111.8
385H36.9Very low35.6Very low177 Ų177149.9 Ų149.982%0.81980%0.796SS**  trans-121111.4149.9-86.5-84.6000110.1
386L39.6Very low35.6Very low156 Ų156146.3 Ų146.382%0.81780%0.796SS**  trans-111.1122.6166.5-73.2170.7000107.6
387L36.4Very low36.1Very low143 Ų143149.9 Ų149.975%0.74980%0.797SS**  trans-143122.1163.8-74179.7000109.7
388H35.9Very low36.4Very low183 Ų183151.8 Ų151.885%0.84780%0.8SS**  trans31.4118.4156.5-53.3-82.8000119.6
389G36Very low36.7Very low75 Ų75145 Ų14577%0.77380%0.796SS**  trans-111155.1162.800000112.4
390M32.4Very low37.1Very low187 Ų187144 Ų14492%0.92179%0.791SS**  trans-141.2123.8162.2-62.4-16786.500110.2
391H36.5Very low37.8Very low180 Ų180142 Ų14283%0.83379%0.792SS**  trans30.6115.7150.7-142.9-91.9000120.8
392S30.4Very low38.1Very low109 Ų109140.8 Ų140.876%0.76279%0.788SS**  162.6142.8118.8-70.20000113.5
393S37.2Very low38.1Very low116 Ų116141 Ų14181%0.81179%0.789SS**  trans-79.8154.4169.4-49.30000110.9
394P43.9Very low38.5Very low123 Ų123141.9 Ų141.980%0.79980%0.795SS**  -134.8-179.48037.9-24.7000114.6
395Q39.6Very low38.8Very low167 Ų167146.8 Ų146.878%0.7880%0.803SS**  trans-77.1118.6-175.3-66.3173.5-19.300112.7
396S32.8Very low39.1Very low120 Ų120141.7 Ų141.784%0.83980%0.798SS**  trans-95.2106.5165.8-65.40000110.4S398S396-S398 PolarHBondContact O-N 3.34Å
397F41.7Very low39.2Very low188 Ų188142.9 Ų142.983%0.82580%0.797SS**  trans-72.4125.4168.5-83.6-86.3000110.2G399F397-G399 PolarHBondContact O-N 2.85Å
398S36.4Very low39.6Very low111 Ų111143 Ų14378%0.77680%0.796SS**  trans-79.1106.5-173.740.10000112.7S396 H400S396-S398 PolarHBondContact O-N 3.34Å; S398-H400 PolarHBondContact O-N 2.84Å
399G36.8Very low40.3Very low76 Ų76139.2 Ų139.278%0.78478%0.781SS**  trans-69.2119.4166.500000111.4F397F397-G399 PolarHBondContact O-N 2.85Å
400H44.5Very low40.7Very low166 Ų166141.6 Ų141.677%0.76978%0.783SS**  trans-79.1127.2178.4-121.3-79.5000111S398 L402S398-H400 PolarHBondContact O-N 2.84Å; H400-L402 VanDerWaalsContact C-N 3.26Å; H400-L402 PolarHBondContact O-N 3.39Å
401P50Low41.4Very low116 Ų116137.4 Ų137.475%0.75376%0.764SS**THydrogen-bonded Turntrans-82.631.7-162.133.8-39.3000115.7
402L43.6Very low42Very low145 Ų145133.5 Ų133.576%0.75975%0.749SS**THydrogen-bonded Turntrans-135.725.5-170.3-71.5177.5000116H400H400-L402 VanDerWaalsContact C-N 3.26Å; H400-L402 PolarHBondContact O-N 3.39Å
403Y34.4Very low43.6Very low215 Ų215133.8 Ų133.884%0.84375%0.748SS**  trans-139.4100.5170.2-113.9-88.6000113.6Y405Y403-Y405 PolarHBondContact O-N 3.18Å
404P50.6Low44.8Very low120 Ų120130.2 Ų130.278%0.77972%0.72SS**  trans-90.163-178.836.7-35.6000112.2
405Y40.1Very low46.3Very low210 Ų210129.2 Ų129.282%0.82471%0.714SS**  trans-138.149.1173.8-102-79.1000112.8Y403 F407Y403-Y405 PolarHBondContact O-N 3.18Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.39Å
406G42.8Very low48.6Very low69 Ų69123.8 Ų123.871%0.71169%0.688SS**  trans-78.368.7173.700000113.2M408G406-M408 PolarHBondContact O-N 3.09Å
407F41.8Very low51.4Low182 Ų182121 Ų12180%0.79867%0.666SS**  trans-77.262.3163.7-165.1-109.7000110Y405 L409Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-F407 PolarHBondContact O-N 3.39Å; F407-L409 HydrophobicContact CD1-CD1 3.95Å; F407-L409 HydrophobicContact CE1-CD1 3.28Å; F407-L409 HydrophobicContact CZ-CD1 3.66Å; F407-L409 PolarHBondContact O-N 3.16Å
408M44Very low53.9Low146 Ų146112.2 Ų112.272%0.71963%0.628SS**  trans-75.989.1174.6-69.1-105.261.400108.4G406G406-M408 PolarHBondContact O-N 3.09Å
409L49.8Very low56.5Low102 Ų102112.9 Ų112.953%0.53462%0.623SS.*  trans-52.7141.2146.9-103.471.1000107.5F407 N411F407-L409 HydrophobicContact CD1-CD1 3.95Å; F407-L409 HydrophobicContact CE1-CD1 3.28Å; F407-L409 HydrophobicContact CZ-CD1 3.66Å; F407-L409 PolarHBondContact O-N 3.16Å; L409-N411 PolarHBondContact O-N 3.25Å
410P45.8Very low59.1Low126 Ų126113.1 Ų113.182%0.81860%0.6SS**  trans-54.2104.5165.6-22.633.6000108.3D412P410-D412 PolarHBondContact O-N 3.22Å
411N45.6Very low61.1Low99 Ų99110 Ų11053%0.52959%0.593SS.*  trans-78.684.4172.4-101.3-83.2000107.1L409 P413 R430L409-N411 PolarHBondContact O-N 3.25Å; N411-P413 WeakPolarHBondContact O-CD 3.2Å; N411-P413 VanDerWaalsContact O-N 3.16Å; N411-R430 PolarHBondContact OD1-NH1 3.14Å; N411-R430 VanDerWaalsContact OD1-NH1 3.13Å
412D50.3Low62.8Low97 Ų97106 Ų10652%0.51957%0.568SS.*  trans-48.4115.9160.3-16822.4000107.6P410 L414P410-D412 PolarHBondContact O-N 3.22Å; D412-L414 PolarHBondContact O-N 3.44Å; D412-L414 WeakPolarHBondContact OD1-CD1 2.77Å; D412-L414 WeakPolarHBondContact OD2-CD1 3.2Å
413P63Low64.3Low115 Ų115104.3 Ų104.375%0.74757%0.574SS**  trans-80.237.4-160.233.1-37.9000113.1N411 P415N411-P413 WeakPolarHBondContact O-CD 3.2Å; N411-P413 VanDerWaalsContact O-N 3.16Å; P413-P415 VanDerWaalsContact O-CD 3.28Å; P413-P415 WeakPolarHBondContact O-CD 3.08Å
414L62.3Low66.5Low41 Ų41101.7 Ų101.722%0.21558%0.575CS.*  trans-71.8111179.3-9052.1000109.8D412 H416 F431D412-L414 PolarHBondContact O-N 3.44Å; D412-L414 WeakPolarHBondContact OD1-CD1 2.77Å; D412-L414 WeakPolarHBondContact OD2-CD1 3.2Å; L414-H416 PolarHBondContact O-N 3.24Å; L414-H416 VanDerWaalsContact O-N 3.15Å; L414-F431 WeakPolarHBondContact CB-O 3.46Å; L414-F431 WeakPolarHBondContact CD2-O 3.46Å; L414-F431 WeakPolarHBondContact CG-O 3.38Å
415P77Confident68.2Low103 Ų10397.3 Ų97.367%0.66955%0.551SS**  trans-82.311.4-173.434.7-34.3000112.9P413P413-P415 VanDerWaalsContact O-CD 3.28Å; P413-P415 WeakPolarHBondContact O-CD 3.08Å
416H86.9Confident70.5Confident53 Ų5391.3 Ų91.325%0.24554%0.538CS..EExtended strand (participates in β ladder)trans-120.190.5-172.5-55.7-43.3000109.7L414 R430 F431 S434 L437L414-H416 PolarHBondContact O-N 3.24Å; L414-H416 VanDerWaalsContact O-N 3.15Å; H416-R430 CarbonylContact O-C 3.57Å; H416-R430 WeakPolarHBondContact O-CA 3.43Å; H416-F431 HydrophobicContact CB-CB 4.16Å; H416-F431 PolarHBondContact O-N 2.91Å; H416-S434 PolarHBondContact CD2-N 3.06Å; H416-S434 PolarHBondContact NE2-N 2.84Å; H416-L437 VanDerWaalsContact C-CD1 3.48Å; H416-L437 HydrophobicContact CB-CB 4.24Å; H416-L437 HydrophobicContact CB-CD1 3.89Å
417V92Very high72.7Confident60 Ų6088.8 Ų88.836%0.36451%0.509SS..EExtended strand (participates in β ladder)trans-116.7125.1179.1-169.90000108.8R430 L437V417-R430 HydrophobicContact CG1-CG 4.12Å; V417-R430 HydrophobicContact CG2-CG 3.94Å; V417-L437 VanDerWaalsContact C-CD1 3.49Å; V417-L437 WeakPolarHBondContact O-CD1 3.48Å
418C94.4Very high75Confident4 Ų485.5 Ų85.53%0.02750%0.5CS..  trans-68.8144.8168.4-162.30000109.2C427 K429 F431C418-C427 CarbonylContact C-O 3.25Å; C418-C427 VanDerWaalsContact C-O 3.25Å; C418-K429 PolarHBondContact N-O 3.47Å; C418-F431 HydrophobicContact CB-CE2 4.28Å
419N91.1Very high77.2Confident126 Ų12684.4 Ų84.467%0.67449%0.491SS*.  trans-138.943.6174.6-174.918.3000109.1
420W90.9Very high79.3Confident80 Ų8085.7 Ų85.730%0.30349%0.489SS..EExtended strand (participates in β ladder)trans-86.3122.7179.3-173.6-80000109.9C427 L441 H444 T445W420-C427 WeakPolarHBondContact O-CB 3.46Å; W420-C427 PolarHBondContact O-N 2.93Å; W420-L441 HydrophobicContact CD2-CD1 4.41Å; W420-L441 HydrophobicContact CE3-CD1 3.62Å; W420-L441 HydrophobicContact CZ3-CD1 4.26Å; W420-H444 HydrophobicContact CB-CB 4.29Å; W420-H444 AromaticContact CD1-CE1 3.94Å; W420-H444 AromaticContact CD1-CG 3.47Å; W420-H444 VanDerWaalsContact CD1-CG 3.47Å; W420-H444 AromaticContact CD1-ND1 3.24Å; W420-H444 HydrophobicContact CD2-CB 3.78Å; W420-H444 HydrophobicContact CG-CB 3.64Å; W420-H444 AromaticContact CG-CG 3.55Å; W420-H444 AromaticContact CG-ND1 3.78Å; W420-H444 AromaticContact NE1-ND1 3.89Å; W420-T445 HydrophobicContact CH2-CG2 3.61Å; W420-T445 HydrophobicContact CZ2-CG2 4.21Å; W420-T445 HydrophobicContact CZ3-CG2 3.97Å
421V87.5Confident81.4Confident102 Ų10281.4 Ų81.462%0.61846%0.458SS*.EExtended strand (participates in β ladder)trans-93.8117.1175.1-173.90000109.3P426V421-P426 HydrophobicContact CG2-CB 4.42Å
422S85.2Confident83.6Confident32 Ų3281.1 Ų81.122%0.22446%0.463CS..EExtended strand (participates in β ladder)trans-104.9172.9172.7-170.50000110.6N424 G425S422-N424 PolarHBondContact O-N 3.15Å; S422-N424 VanDerWaalsContact O-N 3.11Å; S422-G425 PolarHBondContact N-O 2.81Å; S422-G425 PolarHBondContact O-N 3.13Å
423A75.5Confident85.6Confident109 Ų10978.8 Ų78.890%0.90146%0.455SS*.THydrogen-bonded Turntrans-58.3-20169.100000113
424N79Confident87Confident159 Ų15976.2 Ų76.285%0.8544%0.44SS*.THydrogen-bonded Turntrans-86.41.5174.5-53.590.4000114.1S422S422-N424 PolarHBondContact O-N 3.15Å; S422-N424 VanDerWaalsContact O-N 3.11Å
425G86.4Confident88.5Confident28 Ų2878.1 Ų78.129%0.28945%0.447SS..EExtended strand (participates in β ladder)trans110.9-178-176.600000114.2S422S422-G425 PolarHBondContact N-O 2.81Å; S422-G425 PolarHBondContact O-N 3.13Å
426P88.5Confident89.3Confident85 Ų8577.2 Ų77.255%0.55243%0.434SS*.EExtended strand (participates in β ladder)trans-68.4146.7172.930.9-34.8000111.3V421V421-P426 HydrophobicContact CG2-CB 4.42Å
427C90.4Very high89.7Confident15 Ų1576.3 Ų76.310%0.10143%0.431CS..EExtended strand (participates in β ladder)trans-104.8117.5166.8-171.20000109.5C418 W420 H440 H444C418-C427 CarbonylContact C-O 3.25Å; C418-C427 VanDerWaalsContact C-O 3.25Å; W420-C427 WeakPolarHBondContact O-CB 3.46Å; W420-C427 PolarHBondContact O-N 2.93Å; C427-H440 PolarHBondContact SG-NE2 2.83Å; C427-H444 VanDerWaalsContact CB-NE2 3.34Å; C427-H444 WeakPolarHBondContact CB-NE2 3.46Å; C427-H444 PolarHBondContact SG-NE2 3.24Å; C427-H444 VanDerWaalsContact SG-NE2 3.36Å
428D89.4Confident89.7Confident113 Ų11377 Ų7760%0.60443%0.432SS*.  trans-106.425.3-179.5-72.9-81.5000112.9R430D428-R430 PolarHBondContact O-N 3.17Å
429K90.7Very high89.6Confident123 Ų12381 Ų8154%0.53545%0.452SS..  trans-66.2127.7-176.8-71.8-174.8-170.5179.30111.5C418 F431C418-K429 PolarHBondContact N-O 3.47Å; K429-F431 HydrophobicContact CB-CE2 3.59Å; K429-F431 HydrophobicContact CB-CZ 3.68Å; K429-F431 HydrophobicContact CD-CZ 4.29Å; K429-F431 WeakPolarHBondContact O-CD2 3.48Å; K429-F431 VanDerWaalsContact O-CE2 3.27Å; K429-F431 WeakPolarHBondContact O-CE2 3.28Å
430R93.8Very high89.8Confident129 Ų12975.8 Ų75.849%0.48742%0.424SS..EExtended strand (participates in β ladder)trans-95.7149.7173.8-54.7-163.4172.5-160.7-2.4110.9N411 H416 V417 D428N411-R430 PolarHBondContact OD1-NH1 3.14Å; N411-R430 VanDerWaalsContact OD1-NH1 3.13Å; H416-R430 CarbonylContact O-C 3.57Å; H416-R430 WeakPolarHBondContact O-CA 3.43Å; V417-R430 HydrophobicContact CG1-CG 4.12Å; V417-R430 HydrophobicContact CG2-CG 3.94Å; D428-R430 PolarHBondContact O-N 3.17Å
431F90.1Very high89.8Confident37 Ų3774.8 Ų74.816%0.16242%0.424CS..EExtended strand (participates in β ladder)trans-137.4151-174.9-64.4-79.4000111.5L414 H416 C418 K429 E436 L437 H440L414-F431 WeakPolarHBondContact CB-O 3.46Å; L414-F431 WeakPolarHBondContact CD2-O 3.46Å; L414-F431 WeakPolarHBondContact CG-O 3.38Å; H416-F431 HydrophobicContact CB-CB 4.16Å; H416-F431 PolarHBondContact O-N 2.91Å; C418-F431 HydrophobicContact CB-CE2 4.28Å; K429-F431 HydrophobicContact CB-CE2 3.59Å; K429-F431 HydrophobicContact CB-CZ 3.68Å; K429-F431 HydrophobicContact CD-CZ 4.29Å; K429-F431 WeakPolarHBondContact O-CD2 3.48Å; K429-F431 VanDerWaalsContact O-CE2 3.27Å; K429-F431 WeakPolarHBondContact O-CE2 3.28Å; F431-E436 HydrophobicContact CB-CB 3.98Å; F431-E436 HydrophobicContact CD1-CB 3.6Å; F431-E436 HydrophobicContact CE1-CB 4.47Å; F431-E436 HydrophobicContact CG-CB 4.03Å; F431-L437 HydrophobicContact CB-CB 4.3Å; F431-L437 HydrophobicContact CD2-CB 3.87Å; F431-L437 HydrophobicContact CD2-CG 4.38Å; F431-L437 HydrophobicContact CG-CB 4.21Å; F431-H440 HydrophobicContact CE1-CB 4.08Å; F431-H440 HydrophobicContact CE2-CB 4.04Å; F431-H440 AromaticContact CE2-CD2 3.45Å; F431-H440 VanDerWaalsContact CE2-CD2 3.45Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.39Å; F431-H440 HydrophobicContact CZ-CB 3.5Å; F431-H440 AromaticContact CZ-CD2 3.33Å; F431-H440 WeakPolarHBondContact CZ-CD2 3Å; F431-H440 AromaticContact CZ-CG 3.5Å
432S91.1Very high90Very high92 Ų9275.7 Ų75.764%0.64342%0.417SS*.SBendtrans-80.5-23.5177.8-61.60000111.9E436S432-E436 PolarHBondContact N-OE2 2.95Å
433S91.9Very high90.3Very high48 Ų4877.3 Ų77.334%0.33643%0.425SS..SBendtrans-131.6149.5-178.6175.40000112.6E435 E436 L437S433-E435 VanDerWaalsContact C-N 3.28Å; S433-E435 PolarHBondContact O-N 2.89Å; S433-E435 PolarHBondContact OG-N 3.29Å; S433-E436 PolarHBondContact N-OE2 2.82Å; S433-E436 PolarHBondContact O-N 2.7Å; S433-L437 PolarHBondContact O-N 3.14Å
434S93.1Very high90.8Very high62 Ų6273.5 Ų73.543%0.43439%0.389SS..Hα-helixtrans-63.5-32.8173.753.90000112.4H416 L437 L438H416-S434 PolarHBondContact CD2-N 3.06Å; H416-S434 PolarHBondContact NE2-N 2.84Å; S434-L437 PolarHBondContact O-N 3.26Å; S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.49Å; S434-L438 PolarHBondContact O-N 3.4Å
435E93.9Very high90.9Very high81 Ų8169.5 Ų69.538%0.37937%0.37SS..Hα-helixtrans-71.2-33.7177-17953.7-151.900111.8S433 L438 I439 R442S433-E435 VanDerWaalsContact C-N 3.28Å; S433-E435 PolarHBondContact O-N 2.89Å; S433-E435 PolarHBondContact OG-N 3.29Å; E435-L438 PolarHBondContact O-N 3.18Å; E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 HydrophobicContact CG-CG1 4.37Å; E435-I439 WeakPolarHBondContact O-CB 3.47Å; E435-I439 WeakPolarHBondContact O-CG1 3.45Å; E435-I439 PolarHBondContact O-N 3.41Å; E435-I439 WeakPolarHBondContact OE1-CG1 3.38Å; E435-R442 VanDerWaalsContact CD-NH2 3.35Å; E435-R442 IonicContact OE1-CZ 3.23Å; E435-R442 VanDerWaalsContact OE1-CZ 3.23Å; E435-R442 IonicContact OE1-NH1 2.74Å; E435-R442 PolarHBondContact OE1-NH1 3.36Å; E435-R442 IonicContact OE1-NH2 2.78Å; E435-R442 PolarHBondContact OE1-NH2 3.46Å; E435-R442 IonicContact OE2-NH2 3.13Å; E435-R442 PolarHBondContact OE2-NH2 2.79Å; E435-R442 VanDerWaalsContact OE2-NH2 3.13Å
436E94Very high90.2Very high84 Ų8471.6 Ų71.639%0.39338%0.384SS..Hα-helixtrans-63.6-42.7173-64.5170158.800111.2F431 S432 S433 L438 I439 H440F431-E436 HydrophobicContact CB-CB 3.98Å; F431-E436 HydrophobicContact CD1-CB 3.6Å; F431-E436 HydrophobicContact CE1-CB 4.47Å; F431-E436 HydrophobicContact CG-CB 4.03Å; S432-E436 PolarHBondContact N-OE2 2.95Å; S433-E436 PolarHBondContact N-OE2 2.82Å; S433-E436 PolarHBondContact O-N 2.7Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.41Å; E436-I439 PolarHBondContact O-N 2.79Å; E436-H440 WeakPolarHBondContact O-CB 3.42Å; E436-H440 PolarHBondContact O-N 2.96Å
437L94.3Very high88.8Confident33 Ų3374.1 Ų74.117%0.17339%0.387CS..Hα-helixtrans-61.2-41172.6178.1151.1000111.5H416 V417 F431 S433 S434 H440 L441H416-L437 VanDerWaalsContact C-CD1 3.48Å; H416-L437 HydrophobicContact CB-CB 4.24Å; H416-L437 HydrophobicContact CB-CD1 3.89Å; V417-L437 VanDerWaalsContact C-CD1 3.49Å; V417-L437 WeakPolarHBondContact O-CD1 3.48Å; F431-L437 HydrophobicContact CB-CB 4.3Å; F431-L437 HydrophobicContact CD2-CB 3.87Å; F431-L437 HydrophobicContact CD2-CG 4.38Å; F431-L437 HydrophobicContact CG-CB 4.21Å; S433-L437 PolarHBondContact O-N 3.14Å; S434-L437 PolarHBondContact O-N 3.26Å; L437-H440 PolarHBondContact O-N 2.04Å; L437-L441 VanDerWaalsContact O-CB 3.29Å; L437-L441 WeakPolarHBondContact O-CB 3.02Å; L437-L441 PolarHBondContact O-N 3.36Å
438L92.8Very high87.3Confident74 Ų7477.4 Ų77.439%0.38741%0.407SS..Hα-helixtrans-69-41.5177.7-71167.9000112.1S434 E435 E436 H440 L441 R442S434-L438 VanDerWaalsContact O-CG 3.27Å; S434-L438 WeakPolarHBondContact O-CG 3.49Å; S434-L438 PolarHBondContact O-N 3.4Å; E435-L438 PolarHBondContact O-N 3.18Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.41Å; L438-H440 VanDerWaalsContact C-N 3.3Å; L438-H440 PolarHBondContact O-N 3.35Å; L438-L441 PolarHBondContact O-N 3.03Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 PolarHBondContact O-NE 3.22Å
439I92.6Very high85.7Confident88 Ų8875.6 Ų75.645%0.45141%0.414SS..Hα-helixtrans-56.1-47.7171.1-69.8162000109.7E435 E436 R442 T443E435-I439 HydrophobicContact CG-CD1 4.02Å; E435-I439 HydrophobicContact CG-CG1 4.37Å; E435-I439 WeakPolarHBondContact O-CB 3.47Å; E435-I439 WeakPolarHBondContact O-CG1 3.45Å; E435-I439 PolarHBondContact O-N 3.41Å; E435-I439 WeakPolarHBondContact OE1-CG1 3.38Å; E436-I439 PolarHBondContact O-N 2.79Å; I439-R442 VanDerWaalsContact CG1-NH1 3.25Å; I439-R442 WeakPolarHBondContact O-CB 3.21Å; I439-R442 PolarHBondContact O-N 3.41Å; I439-T443 PolarHBondContact O-N 3.2Å
440H93.5Very high83.8Confident17 Ų1772 Ų728%0.07941%0.408CS..Hα-helixtrans-67.9-39.1178.7177.441.1000113C427 F431 E436 L437 L438 R442 T443 H444C427-H440 PolarHBondContact SG-NE2 2.83Å; F431-H440 HydrophobicContact CE1-CB 4.08Å; F431-H440 HydrophobicContact CE2-CB 4.04Å; F431-H440 AromaticContact CE2-CD2 3.45Å; F431-H440 VanDerWaalsContact CE2-CD2 3.45Å; F431-H440 WeakPolarHBondContact CE2-CD2 3.39Å; F431-H440 HydrophobicContact CZ-CB 3.5Å; F431-H440 AromaticContact CZ-CD2 3.33Å; F431-H440 WeakPolarHBondContact CZ-CD2 3Å; F431-H440 AromaticContact CZ-CG 3.5Å; E436-H440 WeakPolarHBondContact O-CB 3.42Å; E436-H440 PolarHBondContact O-N 2.96Å; L437-H440 PolarHBondContact O-N 2.04Å; L438-H440 VanDerWaalsContact C-N 3.3Å; L438-H440 PolarHBondContact O-N 3.35Å; H440-R442 VanDerWaalsContact C-N 3.26Å; H440-R442 PolarHBondContact O-N 2.9Å; H440-T443 PolarHBondContact ND1-OG1 3.43Å; H440-T443 VanDerWaalsContact ND1-OG1 3.09Å; H440-T443 WeakPolarHBondContact O-CA 3.49Å; H440-T443 WeakPolarHBondContact O-CB 3.25Å; H440-T443 PolarHBondContact O-N 3.09Å; H440-T443 PolarHBondContact O-OG1 3.22Å; H440-H444 AromaticContact CE1-CD2 3.37Å; H440-H444 PolarHBondContact CE1-CD2 3.28Å; H440-H444 AromaticContact CE1-NE2 3.16Å; H440-H444 PolarHBondContact CE1-NE2 3.2Å; H440-H444 AromaticContact NE2-CD2 3.53Å; H440-H444 AromaticContact NE2-NE2 3.25Å; H440-H444 PolarHBondContact NE2-NE2 3.47Å; H440-H444 PolarHBondContact O-N 3.04Å
441L92.8Very high81.5Confident59 Ų5972.8 Ų72.831%0.30942%0.417SS..Hα-helixtrans-61.3-36.2176.3-170.164.7000111.5W420 L437 L438 T443 H444 T445W420-L441 HydrophobicContact CD2-CD1 4.41Å; W420-L441 HydrophobicContact CE3-CD1 3.62Å; W420-L441 HydrophobicContact CZ3-CD1 4.26Å; L437-L441 VanDerWaalsContact O-CB 3.29Å; L437-L441 WeakPolarHBondContact O-CB 3.02Å; L437-L441 PolarHBondContact O-N 3.36Å; L438-L441 PolarHBondContact O-N 3.03Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 2.9Å; L441-H444 WeakPolarHBondContact O-CB 3.45Å; L441-H444 PolarHBondContact O-N 3.12Å; L441-T445 PolarHBondContact O-N 3.46Å
442R91.8Very high79.4Confident122 Ų12280.7 Ų80.746%0.4645%0.451SS..Hα-helixtrans-61.8-32.2170.8-62.7160.6-154.8147.56.9112.4E435 L438 I439 H440 H444 T445 A446E435-R442 VanDerWaalsContact CD-NH2 3.35Å; E435-R442 IonicContact OE1-CZ 3.23Å; E435-R442 VanDerWaalsContact OE1-CZ 3.23Å; E435-R442 IonicContact OE1-NH1 2.74Å; E435-R442 PolarHBondContact OE1-NH1 3.36Å; E435-R442 IonicContact OE1-NH2 2.78Å; E435-R442 PolarHBondContact OE1-NH2 3.46Å; E435-R442 IonicContact OE2-NH2 3.13Å; E435-R442 PolarHBondContact OE2-NH2 2.79Å; E435-R442 VanDerWaalsContact OE2-NH2 3.13Å; L438-R442 VanDerWaalsContact O-CG 3.23Å; L438-R442 WeakPolarHBondContact O-CG 3.44Å; L438-R442 PolarHBondContact O-N 2.89Å; L438-R442 PolarHBondContact O-NE 3.22Å; I439-R442 VanDerWaalsContact CG1-NH1 3.25Å; I439-R442 WeakPolarHBondContact O-CB 3.21Å; I439-R442 PolarHBondContact O-N 3.41Å; H440-R442 VanDerWaalsContact C-N 3.26Å; H440-R442 PolarHBondContact O-N 2.9Å; R442-H444 VanDerWaalsContact C-N 3.33Å; R442-T445 PolarHBondContact O-OG1 2.98Å; R442-A446 WeakPolarHBondContact O-CB 3.46Å; R442-A446 PolarHBondContact O-N 3.2Å
443T89.7Confident77.4Confident65 Ų6584.2 Ų84.240%0.39946%0.462SS..Hα-helixtrans-67.9-33.2175.168.60000112.5I439 H440 L441 F447I439-T443 PolarHBondContact O-N 3.2Å; H440-T443 PolarHBondContact ND1-OG1 3.43Å; H440-T443 VanDerWaalsContact ND1-OG1 3.09Å; H440-T443 WeakPolarHBondContact O-CA 3.49Å; H440-T443 WeakPolarHBondContact O-CB 3.25Å; H440-T443 PolarHBondContact O-N 3.09Å; H440-T443 PolarHBondContact O-OG1 3.22Å; L441-T443 VanDerWaalsContact C-N 3.28Å; L441-T443 PolarHBondContact O-N 2.9Å; T443-F447 PolarHBondContact O-N 3Å
444H86.5Confident75.3Confident30 Ų3089.3 Ų89.314%0.13948%0.484CS..Hα-helixtrans-68.6-43.4175.6-85.3-67.9000112.4W420 C427 H440 L441 R442 T448W420-H444 HydrophobicContact CB-CB 4.29Å; W420-H444 AromaticContact CD1-CE1 3.94Å; W420-H444 AromaticContact CD1-CG 3.47Å; W420-H444 VanDerWaalsContact CD1-CG 3.47Å; W420-H444 AromaticContact CD1-ND1 3.24Å; W420-H444 HydrophobicContact CD2-CB 3.78Å; W420-H444 HydrophobicContact CG-CB 3.64Å; W420-H444 AromaticContact CG-CG 3.55Å; W420-H444 AromaticContact CG-ND1 3.78Å; W420-H444 AromaticContact NE1-ND1 3.89Å; C427-H444 VanDerWaalsContact CB-NE2 3.34Å; C427-H444 WeakPolarHBondContact CB-NE2 3.46Å; C427-H444 PolarHBondContact SG-NE2 3.24Å; C427-H444 VanDerWaalsContact SG-NE2 3.36Å; H440-H444 AromaticContact CE1-CD2 3.37Å; H440-H444 PolarHBondContact CE1-CD2 3.28Å; H440-H444 AromaticContact CE1-NE2 3.16Å; H440-H444 PolarHBondContact CE1-NE2 3.2Å; H440-H444 AromaticContact NE2-CD2 3.53Å; H440-H444 AromaticContact NE2-NE2 3.25Å; H440-H444 PolarHBondContact NE2-NE2 3.47Å; H440-H444 PolarHBondContact O-N 3.04Å; L441-H444 WeakPolarHBondContact O-CB 3.45Å; L441-H444 PolarHBondContact O-N 3.12Å; R442-H444 VanDerWaalsContact C-N 3.33Å; H444-T448 WeakPolarHBondContact O-CG2 3.45Å; H444-T448 PolarHBondContact O-OG1 3.06Å; H444-T448 VanDerWaalsContact O-OG1 3.09Å
445T82.3Confident72.7Confident75 Ų7592.8 Ų92.846%0.4651%0.508SS..Hα-helixtrans-74.7-35.3179.254.50000113.2W420 L441 R442 T448W420-T445 HydrophobicContact CH2-CG2 3.61Å; W420-T445 HydrophobicContact CZ2-CG2 4.21Å; W420-T445 HydrophobicContact CZ3-CG2 3.97Å; L441-T445 PolarHBondContact O-N 3.46Å; R442-T445 PolarHBondContact O-OG1 2.98Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.06Å
446A71.8Confident70Confident71 Ų7192.1 Ų92.159%0.58752%0.523SS*.Hα-helixtrans-67.2-39.3-179.400000113.4R442R442-A446 WeakPolarHBondContact O-CB 3.46Å; R442-A446 PolarHBondContact O-N 3.2Å
447F57.9Low67Low138 Ų13898.4 Ų98.461%0.60555%0.545SS*.Hα-helixtrans-81.4-26.8-178.2-93.5-88.2000114.1T443 G449 A450 E451T443-F447 PolarHBondContact O-N 3Å; F447-G449 PolarHBondContact O-N 3.17Å; F447-A450 PolarHBondContact O-N 2.86Å; F447-E451 WeakPolarHBondContact CD1-OE1 3.44Å
448T58.7Low65.1Low85 Ų85102 Ų10252%0.52157%0.57SS.*THydrogen-bonded Turntrans-64.4-6.1-178.4410000115.6H444 T445H444-T448 WeakPolarHBondContact O-CG2 3.45Å; H444-T448 PolarHBondContact O-OG1 3.06Å; H444-T448 VanDerWaalsContact O-OG1 3.09Å; T445-T448 PolarHBondContact O-OG1 2.94Å; T445-T448 VanDerWaalsContact O-OG1 3.06Å
449G56.3Low62.3Low74 Ų74104.2 Ų104.276%0.76359%0.592SS**THydrogen-bonded Turntrans-104.6-14.4-177.500000117.3F447F447-G449 PolarHBondContact O-N 3.17Å
450A50.1Low60Low48 Ų48105.5 Ų105.540%0.39761%0.608SS.*THydrogen-bonded Turntrans-111.7-22.9-163.700000116.1F447 K452 L453F447-A450 PolarHBondContact O-N 2.86Å; A450-K452 PolarHBondContact O-N 3.15Å; A450-L453 PolarHBondContact O-N 3.48Å
451E46Very low57.5Low145 Ų145109.1 Ų109.168%0.67864%0.636SS**THydrogen-bonded Turntrans-68.117.1-163.7-60.4-58.6114.700116.9F447F447-E451 WeakPolarHBondContact CD1-OE1 3.44Å
452K46.2Very low55.4Low203 Ų203112.6 Ų112.688%0.88367%0.665SS**THydrogen-bonded Turntrans-128.8-1.7179.4-105-171.1176.4-1740116.7A450A450-K452 PolarHBondContact O-N 3.15Å
453L49Very low53.2Low167 Ų167114.2 Ų114.287%0.87468%0.682SS**THydrogen-bonded Turntrans-128.3-5.9-175.6-66.6177.1000115.7A450A450-L453 PolarHBondContact O-N 3.48Å
454I47.3Very low51.1Low155 Ų155114.3 Ų114.380%0.79569%0.689SS**  trans-129.769.8-176.2-43.8-179.8000111
455S38.8Very low49.3Very low134 Ų134117.5 Ų117.594%0.93772%0.715SS**  trans-105.2109.5165.4-167.40000108.9
456G38.4Very low47.6Very low67 Ų67117.7 Ų117.769%0.69172%0.724SS**SBendtrans134.846.6169.500000119
457Y31.1Very low46.2Very low217 Ų217117.5 Ų117.585%0.85172%0.723SS**  trans-158.8137.2147.2-134.3-92000113
458P53.3Low45.7Very low109 Ų109114.7 Ų114.771%0.70873%0.725SS**  trans-104108.2176.534.8-27.8000112.5
459S34.3Very low45.1Very low120 Ų120114.6 Ų114.684%0.83973%0.733SS**  trans-167.3151157-89.80000113.9
460S44.8Very low44.5Very low115 Ų115114.2 Ų114.280%0.80472%0.722SS**  trans-70.7131.9-179-47.10000112.9
461S40Very low44.1Very low93 Ų93120 Ų12065%0.6574%0.743SS**  trans-170.965.7158.1-85.80000112.8L463 A464S461-L463 PolarHBondContact O-N 2.92Å; S461-A464 PolarHBondContact O-N 3.37Å
462S48.5Very low44.1Very low131 Ų131117.4 Ų117.492%0.91675%0.747SS**THydrogen-bonded Turntrans-7028.3-178.1-47.50000115.8
463L46.5Very low43.6Very low156 Ų156112.8 Ų112.882%0.81774%0.739SS**THydrogen-bonded Turntrans-129.2-22.6-178.7-165.962.4000113.3S461S461-L463 PolarHBondContact O-N 2.92Å
464A45.5Very low43.4Very low68 Ų68114.2 Ų114.256%0.56274%0.741SS**THydrogen-bonded Turntrans-75.9-36.6-178.100000113.2S461 A466 A467S461-A464 PolarHBondContact O-N 3.37Å; A464-A466 PolarHBondContact O-N 2.98Å; A464-A466 VanDerWaalsContact O-N 3.13Å; A464-A467 PolarHBondContact O-N 2.83Å; A464-A467 VanDerWaalsContact O-N 3.15Å
465S48.3Very low42.8Very low96 Ų96115.2 Ų115.267%0.67174%0.744SS**Hα-helixtrans-65.1-20-172.3-46.40000114.4A467S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.43Å
466A45.9Very low42.9Very low79 Ų79117 Ų11765%0.65374%0.737SS**Hα-helixtrans-66.2-28.7176.300000112.9A464A464-A466 PolarHBondContact O-N 2.98Å; A464-A466 VanDerWaalsContact O-N 3.13Å
467A44.1Very low42.7Very low68 Ų68122 Ų12256%0.56275%0.745SS**Hα-helixtrans-74.7-33.9-179.600000112.8A464 S465 A469 A470A464-A467 PolarHBondContact O-N 2.83Å; A464-A467 VanDerWaalsContact O-N 3.15Å; S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 3.43Å; A467-A469 PolarHBondContact O-N 3.03Å; A467-A470 PolarHBondContact O-N 2.95Å
468A46.3Very low43.1Very low78 Ų78116.4 Ų116.465%0.64574%0.735SS**Hα-helixtrans-67-35.6-178.400000112.7A470A468-A470 PolarHBondContact O-N 3.25Å
469A46.1Very low42.6Very low84 Ų84120.4 Ų120.469%0.69474%0.744SS**G310 helixtrans-69.1-18.9179.100000113.8A467A467-A469 PolarHBondContact O-N 3.03Å
470A45Very low42.8Very low66 Ų66120.9 Ų120.955%0.54575%0.747SS.*G310 helixtrans-76.6-19.5-178.400000113.8A467 A468 A472A467-A470 PolarHBondContact O-N 2.95Å; A468-A470 PolarHBondContact O-N 3.25Å; A470-A472 PolarHBondContact O-N 3.07Å; A470-A472 VanDerWaalsContact O-N 3.17Å
471M41.6Very low42.5Very low168 Ų168118.9 Ų118.983%0.82875%0.745SS**G310 helixtrans-77.51.3-170.1-62-60.8-69.400114.9
472A44.5Very low42.3Very low92 Ų92118.1 Ų118.176%0.7675%0.752SS**G310 helixtrans-99.9-13-178.800000114.6A470A470-A472 PolarHBondContact O-N 3.07Å; A470-A472 VanDerWaalsContact O-N 3.17Å
473C35.6Very low42.1Very low106 Ų106118.6 Ų118.672%0.71675%0.752SS**  trans-13098-173.2-70.30000111.7M475C473-M475 PolarHBondContact O-N 2.93Å
474H46.2Very low41.5Very low197 Ų197114.7 Ų114.791%0.91275%0.749SS**  trans-67.591170.6-92-77.2000111.3
475M33.4Very low40.9Very low175 Ų175117.5 Ų117.586%0.86277%0.765SS**  trans-131.1126.5160.2-80.6-64.3166.400110.2C473 M477C473-M475 PolarHBondContact O-N 2.93Å; M475-M477 PolarHBondContact O-N 3.4Å
476H40.5Very low40.8Very low171 Ų171119.1 Ų119.179%0.79277%0.773SS**  trans-81.1114.7-176.9176.797000110.4
477M35.4Very low40.3Very low173 Ų173118.8 Ų118.885%0.85278%0.778SS**  trans-123112.8172.7-162.883.478.600108.8M475M475-M477 PolarHBondContact O-N 3.4Å
478P40Very low40Very low99 Ų99122.1 Ų122.164%0.64379%0.791SS**  trans-75.4131179.429.7-33.2000110.8
479Q41.9Very low39.8Very low194 Ų194125.9 Ų125.991%0.90780%0.799SS**  trans-73.1133.4171.1-77.9-175.3-5600111G481Q479-G481 PolarHBondContact O-N 3.3Å
480S39.1Very low39.4Very low129 Ų129128 Ų12890%0.90280%0.804SS**  trans-72.7105.3169.753.50000110.8
481G38Very low39.4Very low74 Ų74133 Ų13376%0.76382%0.82SS**  trans-108.9148.1175.300000113Q479Q479-G481 PolarHBondContact O-N 3.3Å
482G36.7Very low39.1Very low76 Ų76136.1 Ų136.178%0.78482%0.823SS**  trans-74.8171.3179.200000114.8
483P44.2Very low38.6Very low142 Ų142135.7 Ų135.792%0.92282%0.815SS**  trans-84141.1-165.532.7-35.9000114.6
484G33.5Very low38.8Very low74 Ų74136.7 Ų136.776%0.76382%0.82SS**  trans-179.299.3171.200000115.9
485S33.6Very low38.3Very low127 Ų127134.5 Ų134.589%0.88881%0.809SS**  trans68.8157.7168-78.60000119.6
486P44.9Very low38.6Very low129 Ų129134.3 Ų134.384%0.83881%0.806SS**  trans-111.8154.5-162.140.1-30.5000114.9
487G34.7Very low38.3Very low73 Ų73131 Ų13175%0.75381%0.808SS**  trans-174.396.1173.800000115.2
488T38.2Very low38.8Very low137 Ų137131.2 Ų131.284%0.8481%0.812SS**  trans21.6129.4158-166.80000121.3
489L43.2Very low38.7Very low157 Ų157130.2 Ų130.282%0.82282%0.82SS**  trans-60.7143.8160.5-58.9165.6000111.3
490T37.2Very low38.7Very low128 Ų128129.2 Ų129.279%0.78582%0.819SS**  173.6142.4125.827.40000111.8
491L45.6Very low38.8Very low171 Ų171128.3 Ų128.390%0.89581%0.813SS**  trans-72.2138.4162.5-84.167.2000109.5
492R34.9Very low38.9Very low235 Ų235130.6 Ų130.689%0.88782%0.817SS**  trans-147.3132.7155.9-129.8179-174.993.3-0.1112.1
493S33.3Very low39.6Very low83 Ų83136.7 Ų136.758%0.5882%0.817SS**  trans-74.4141.6177.8-177.20000111.4H495S493-H495 PolarHBondContact O-N 3.49Å; S493-H495 VanDerWaalsContact O-N 3.17Å
494P40.1Very low39.4Very low127 Ų127140.5 Ų140.583%0.82581%0.814SS**  trans-77.496.5173.831.7-33.4000111.2
495H36.1Very low40.4Very low150 Ų150142.7 Ų142.769%0.69480%0.804SS**  trans-85.4116.6171.5-84.3-90.8000112.2S493S493-H495 PolarHBondContact O-N 3.49Å; S493-H495 VanDerWaalsContact O-N 3.17Å
496H38.7Very low40.9Very low171 Ų171141.4 Ų141.479%0.79279%0.793SS**  trans55.6113.3150.8-64.9-105.3000120.2
497A36.1Very low41.1Very low101 Ų101145.4 Ų145.484%0.83579%0.793SS**  trans-123.6101.2140.400000109.3
498L44.3Very low41.3Very low178 Ų178147 Ų14793%0.93279%0.793SS**  trans26.4102.1161.9-54.3179.4000119.2
499G38.3Very low41.6Very low78 Ų78150.2 Ų150.280%0.80480%0.795SS**  trans-155.5111.5161.100000110
500L42.6Very low41.5Very low173 Ų173148.3 Ų148.391%0.90680%0.795SS**  trans-86.3122.2-168.7-71.9173.5000113.1
501S39.8Very low41.8Very low110 Ų110147.9 Ų147.977%0.76979%0.794SS**  trans33.9110.2149.461.20000119.5
502S41.2Very low41.6Very low122 Ų122147.4 Ų147.485%0.85379%0.792SS**  -145.6140.3110-164.70000110.8
503R50.4Low42.2Very low204 Ų204141.5 Ų141.577%0.7778%0.784SS**  trans-93.7131.5174.4-80.9179.9-78-131.7-4.7108.5H505R503-H505 WeakPolarHBondContact CB-NE2 3.27Å; R503-H505 PolarHBondContact O-CD2 3.43Å; R503-H505 PolarHBondContact O-N 3.19Å
504Y40.6Very low42.3Very low222 Ų222144.5 Ų144.587%0.87180%0.799SS**  trans-71.797.5174.3-167.9-92.9000109.6
505H54.1Low42.2Very low120 Ų120141.8 Ų141.856%0.55679%0.794SS**  trans-92.7116.4176.4-73-83.6000109.4R503 Y507R503-H505 WeakPolarHBondContact CB-NE2 3.27Å; R503-H505 PolarHBondContact O-CD2 3.43Å; R503-H505 PolarHBondContact O-N 3.19Å; H505-Y507 PolarHBondContact O-N 3.46Å
506P45.2Very low42.1Very low100 Ų100139.2 Ų139.265%0.64980%0.799SS**SBendtrans-72.51.6-172.429-35.7000115
507Y49.4Very low42.6Very low214 Ų214136.4 Ų136.484%0.83980%0.796SS**  trans-140.597174-70.9-79.4000110.2H505H505-Y507 PolarHBondContact O-N 3.46Å
508S39.3Very low42.7Very low107 Ų107137.7 Ų137.775%0.74879%0.793SS**  trans-143.1142.9163.2-78.20000109.9
509K43.9Very low42.6Very low204 Ų204135 Ų13589%0.88779%0.786SS**PPolyproline II helixtrans-76.5152.2-166.8-67.5177.3177.9177.40112
510S41.2Very low42.5Very low117 Ų117137.5 Ų137.582%0.81879%0.786SS**PPolyproline II helixtrans-57.7131.6176-172.50000111.9
511P43.6Very low42.7Very low119 Ų119134.8 Ų134.877%0.77378%0.778SS**PPolyproline II helixtrans-82.1127.4174.232.1-32.1000111.4
512L41.5Very low42.4Very low160 Ų160134.2 Ų134.284%0.83878%0.78SS**PPolyproline II helixtrans-88.8137.8170.9-166.773.3000109.7
513P46.2Very low42.2Very low111 Ų111132.2 Ų132.272%0.72177%0.771SS**PPolyproline II helixtrans-80.6161.4179.233.6-36.1000112.7
514T36.6Very low41.8Very low146 Ų146129.1 Ų129.190%0.89678%0.775SS**  trans-160139171.8-76.60000109.1
515G37.2Very low41.5Very low71 Ų71122 Ų12273%0.73277%0.769SS**  cis-125.6-135.7-11.100000109.7
516A35.2Very low41.3Very low95 Ų95122.1 Ų122.179%0.78578%0.781SS**  cis-166.2173.1-5.700000107.4
517P47.2Very low40.7Very low112 Ų112127.3 Ų127.373%0.72779%0.789SS**  cis-123.7163.6-4.940.7-27000115
518V38.2Very low40.1Very low128 Ų128126.5 Ų126.578%0.77679%0.786SS**  trans36.9126.7137.1-178.80000118.6
519P43.4Very low40Very low123 Ų123126 Ų12680%0.79978%0.782SS**  cis-131.1163.142.618.56.4000119.6
520V36.1Very low40.2Very low130 Ų130121.2 Ų121.279%0.78877%0.772SS**  trans-64.8168.8166.1-970000112.9
521P46.1Very low40.1Very low116 Ų116125.8 Ų125.875%0.75377%0.773SS**  cis-145.6171.432.343.4-24.2000120.3
522A33.8Very low40.1Very low97 Ų97125.2 Ų125.280%0.80278%0.778SS**  trans68.7143.4149.100000118.8
523A37.3Very low40.4Very low81 Ų81124.6 Ų124.667%0.66978%0.775SS**  cis-149.3162.5-5.500000111.9
524T42.6Very low40.1Very low138 Ų138130.2 Ų130.285%0.84778%0.783SS**  trans38118.4152.252.40000119.9
525G33.4Very low40.3Very low73 Ų73126.7 Ų126.775%0.75378%0.776SS**  trans-85.1-115.5164.900000114.2
526P49.6Very low40.5Very low122 Ų122132.8 Ų132.879%0.79279%0.785SS**  -112.5162.5-119.538.6-33.9000114.5
527Y34Very low40.9Very low209 Ų209138.8 Ų138.882%0.8279%0.788SS**  trans-167.5158.5140.7-127.4-123000113.3
528Y35.9Very low40.9Very low198 Ų198141.6 Ų141.678%0.77680%0.795SS**  trans36.8121.3159.5-103.6-123.3000121.2
529S36.5Very low40.8Very low96 Ų96140.6 Ų140.667%0.67179%0.79SS**  100.1146.858.8-147.60000111.8
530P48.4Very low40.7Very low104 Ų104141.1 Ų141.168%0.67579%0.791SS**  trans-98.7177.1-15639.3-37.1000116
531Y39.5Very low40.8Very low213 Ų213139.2 Ų139.284%0.83579%0.789SS**  trans63.677.9173.9-78.5-84000116.7
532A44.2Very low40.4Very low107 Ų107140.2 Ų140.288%0.88479%0.793SS**  trans-77.9116.715000000109.3
533L46.7Very low40.9Very low146 Ų146139.2 Ų139.276%0.76479%0.785SS**  trans-88161.1171.5-76.5167.7000111
534Y40.8Very low41.2Very low230 Ų230143.6 Ų143.690%0.90280%0.796SS**SBendtrans66.9142176.7-90.4-108.4000116.1
535G40.7Very low41Very low72 Ų72139.9 Ų139.974%0.74279%0.785SS**  trans-98.2150.5-172.300000113.9
536Q41.3Very low41.3Very low199 Ų199147.5 Ų147.593%0.9379%0.793SS**  trans-99.7152.9170.9-135.268.131.600111.5
537R43.4Very low41.2Very low221 Ų221154 Ų15483%0.83481%0.812SS**  trans-109.4115.5-158.8-178.8-172.2-168.7-13211.2112.4
538L47.8Very low41.5Very low170 Ų170151.2 Ų151.289%0.8981%0.812SS**  trans-135.4118.2161.8-62.8173.5000106.8
539T35.3Very low41.8Very low107 Ų107148.7 Ų148.766%0.65681%0.814SS**  cis100.759.524.1-1430000116.3
540T42.4Very low42.1Very low134 Ų134151.7 Ų151.782%0.82282%0.822SS**  trans-160.7120.1151.137.80000105.7
541A38Very low41.7Very low91 Ų91154.5 Ų154.575%0.75283%0.83SS**  61.7120.753.300000111.4
542T37.8Very low41.9Very low137 Ų137150.8 Ų150.884%0.8483%0.83SS**  cis-153.6173.64.9-25.50000106.7
543A42.5Very low41.7Very low75 Ų75153.7 Ų153.762%0.6283%0.826SS**  cis-152.4171.316.300000111.6
544L44.2Very low41.4Very low173 Ų173154.3 Ų154.391%0.90683%0.831SS**  42.3131.6102.5-53.5174.6000116.5
545G38.3Very low41.4Very low60 Ų60148.5 Ų148.562%0.61983%0.825SS**  cis-159.1155.6-3.400000109.7
546Y40.5Very low41.5Very low234 Ų234154.8 Ų154.892%0.91883%0.832SS**  39130.289.1-71.8-81.4000114.1
547Q46Very low41.5Very low257 Ų257150.8 Ų150.8100%1.20182%0.823SS**  cis-129.2025-178.9176.8-16.500113.5

Retrieved 547 of 547 residues in 50.7 ms (Link to these results)