A0A087Y2L1_POEFO Loading...

Odd-skipped related transciption factor 2

AlphaFold DB , UniProt , Accession A0A087Y2L1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.6Very low38Very low254 Ų254146.6 Ų146.6100%1.25186%0.864SS**  01150-60.1174176.400107
2G37.6Very low37.7Very low73 Ų73149.4 Ų149.475%0.75387%0.87SS**  cis-176.3113.8-400000104.5
3S35.3Very low37.3Very low130 Ų130149.8 Ų149.891%0.90986%0.859SS**PPolyproline II helixtrans-78.3123.2-177.5-39.70000109.6
4K46.4Very low37.5Very low210 Ų210146.6 Ų146.691%0.91385%0.845SS**PPolyproline II helixtrans-78.6125.7178-74.5-179.8178.2178.10110.4
5A37.6Very low37.4Very low93 Ų93140.5 Ų140.577%0.76982%0.82SS**PPolyproline II helixtrans-73.6137.4-174.300000113.4
6L38.2Very low37.6Very low168 Ų168140.9 Ų140.988%0.8882%0.817SS**PPolyproline II helixtrans-65.3134.7161.8-76.2118.5000110.2
7H37.6Very low37.7Very low193 Ų193141.9 Ų141.989%0.89481%0.812SS**PPolyproline II helixtrans-77.3117.5162.5-88.319.3000109.3
8A38.2Very low38.1Very low88 Ų88140.4 Ų140.473%0.72780%0.801SS**PPolyproline II helixtrans-90.3143.4170.100000110.4
9P38.3Very low38.5Very low125 Ų125138.2 Ų138.281%0.81279%0.79SS**PPolyproline II helixtrans-71.9136.5172.128-31.2000111.5
10I36.4Very low38.8Very low159 Ų159137.4 Ų137.482%0.81578%0.783SS**PPolyproline II helixtrans-71.8133.7177.8-60.8168000109.6
11P35.3Very low38.9Very low120 Ų120138.7 Ų138.778%0.77978%0.776SS**PPolyproline II helixtrans-79133.1179.730.5-32.3000112.2
12L34.6Very low39.3Very low180 Ų180129.9 Ų129.994%0.94274%0.74SS**PPolyproline II helixtrans-77.2136.9169.1-83.2158000110.6
13H33.1Very low39.5Very low155 Ų155133.8 Ų133.872%0.71874%0.737SS**PPolyproline II helixtrans-71.8143.8-171.6-164.8-97.8000113.3A15H13-A15 VanDerWaalsContact C-N 3.28Å; H13-A15 WeakPolarHBondContact ND1-CB 3.5Å; H13-A15 PolarHBondContact O-N 3.24Å; H13-A15 VanDerWaalsContact O-N 3.16Å
14P40.3Very low40.1Very low104 Ų104133.4 Ų133.468%0.67572%0.724SS**G310 helixtrans-77.11.3-170.8-10.327.3000116L16P14-L16 PolarHBondContact O-N 3.38Å
15A36.3Very low39.9Very low56 Ų56129.4 Ų129.446%0.46371%0.708SS.*G310 helixtrans-82.7-6.2-16700000115.8H13H13-A15 VanDerWaalsContact C-N 3.28Å; H13-A15 WeakPolarHBondContact ND1-CB 3.5Å; H13-A15 PolarHBondContact O-N 3.24Å; H13-A15 VanDerWaalsContact O-N 3.16Å
16L40Very low40.1Very low147 Ų147127.4 Ų127.477%0.7769%0.692SS**G310 helixtrans-97.7-1-178.3-72.7171.5000114.7P14P14-L16 PolarHBondContact O-N 3.38Å
17Q40Very low40.5Very low158 Ų158124.2 Ų124.274%0.73868%0.679SS**SBendtrans-94.1-12.6177.7-68.7-68.4-9.300113.5
18L44.9Very low40.8Very low115 Ų115122.1 Ų122.160%0.60267%0.674SS**Hα-helixtrans-92.4-17-172.5-78.8155.7000114.7S22L18-S22 PolarHBondContact O-N 3.1Å; L18-S22 PolarHBondContact O-OG 3.07Å; L18-S22 VanDerWaalsContact O-OG 3.06Å
19T44Very low41.1Very low98 Ų98123.1 Ų123.160%0.60167%0.672SS**Hα-helixtrans-81.2-26.2-178.854.20000113.7
20N44.9Very low41.1Very low122 Ų122124 Ų12465%0.65266%0.663SS**Hα-helixtrans-84.9-31.2176.2-83-29.2000112.8
21Y42.2Very low41.2Very low164 Ų164121.2 Ų121.264%0.64366%0.655SS**Hα-helixtrans-77-37.4-177.1-146.8-94.2000112.3L24 Q25Y21-L24 PolarHBondContact O-N 3.48Å; Y21-Q25 PolarHBondContact O-N 3.5Å
22S43.9Very low41.7Very low70 Ų70119.7 Ų119.749%0.4965%0.653SS.*Hα-helixtrans-70.3-30.2177.2-55.40000113.2L18 A26L18-S22 PolarHBondContact O-N 3.1Å; L18-S22 PolarHBondContact O-OG 3.07Å; L18-S22 VanDerWaalsContact O-OG 3.06Å; S22-A26 PolarHBondContact O-N 3.32Å
23F42.4Very low42Very low154 Ų154118.1 Ų118.168%0.67565%0.645SS**Hα-helixtrans-70.3-38177.6-160.8-96.1000111.8Q25 A26 V27F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-Q25 PolarHBondContact O-N 3.1Å; F23-A26 PolarHBondContact O-N 3.45Å; F23-V27 VanDerWaalsContact O-CG2 3.28Å; F23-V27 WeakPolarHBondContact O-CG2 3.48Å
24L47.1Very low42.4Very low122 Ų122118.8 Ų118.864%0.63965%0.649SS**Hα-helixtrans-72.5-24.6177.9-70.4172000113.4Y21Y21-L24 PolarHBondContact O-N 3.48Å
25Q42.1Very low42.7Very low126 Ų126120.4 Ų120.459%0.58965%0.651SS**Hα-helixtrans-77.4-28.9172.9-85.1-179.2-37.700113.3Y21 F23 T29Y21-Q25 PolarHBondContact O-N 3.5Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-Q25 PolarHBondContact O-N 3.1Å; Q25-T29 PolarHBondContact O-OG1 3.33Å
26A42.9Very low42.9Very low51 Ų51126.4 Ų126.442%0.42167%0.669SS.*Hα-helixtrans-71.4-31.7-179.900000113.3S22 F23 T29 F30S22-A26 PolarHBondContact O-N 3.32Å; F23-A26 PolarHBondContact O-N 3.45Å; A26-T29 PolarHBondContact O-OG1 3.38Å; A26-F30 WeakPolarHBondContact O-CD2 3.44Å
27V46Very low43.1Very low101 Ų101122.5 Ų122.561%0.61267%0.665SS**Hα-helixtrans-77.3-23-178.9-151.10000112.5F23F23-V27 VanDerWaalsContact O-CG2 3.28Å; F23-V27 WeakPolarHBondContact O-CG2 3.48Å
28N44.1Very low43.1Very low149 Ų149121.6 Ų121.680%0.79767%0.665SS**THydrogen-bonded Turntrans-88.30.8-176.7-95.7-24.1000114.7
29T43.5Very low42.8Very low109 Ų109126 Ų12667%0.66968%0.675SS**THydrogen-bonded Turntrans-109.32.3-178.341.60000114.4Q25 A26 P31Q25-T29 PolarHBondContact O-OG1 3.33Å; A26-T29 PolarHBondContact O-OG1 3.38Å; T29-P31 WeakPolarHBondContact O-CD 3.25Å
30F39.4Very low42.7Very low145 Ų145125.7 Ų125.764%0.63669%0.691SS**  trans-95.3117.6177.4-80.7-87.1000111.8A26A26-F30 WeakPolarHBondContact O-CD2 3.44Å
31P37.8Very low42.8Very low99 Ų99125.5 Ų125.564%0.64369%0.689SS**  trans-65.4138.4168.125.4-29.7000110.1T29 D33T29-P31 WeakPolarHBondContact O-CD 3.25Å; P31-D33 PolarHBondContact O-N 3.4Å
32A46.1Very low42.8Very low89 Ų89121 Ų12174%0.73668%0.682SS**G310 helixtrans-61.9-11.4-167.500000115.8Q34A32-Q34 PolarHBondContact O-N 3.26Å
33D41.3Very low42.8Very low146 Ų146121.7 Ų121.778%0.78169%0.691SS**G310 helixtrans-85.53-172.4-92.9-21.2000115.8P31P31-D33 PolarHBondContact O-N 3.4Å
34Q41.7Very low42.8Very low169 Ų169119.8 Ų119.879%0.7969%0.692SS**G310 helixtrans-109.1-1.1176.8-82.1-101-38.700114.4A32A32-Q34 PolarHBondContact O-N 3.26Å
35L46.9Very low42.6Very low139 Ų139119.5 Ų119.573%0.72869%0.688SS**THydrogen-bonded Turntrans-95.720.5-176.5-70.9174.6000114.7
36Q40.2Very low43.1Very low181 Ų181118.1 Ų118.185%0.84669%0.688SS**THydrogen-bonded Turntrans-91.6-0.7177.7-90.4172.1-22.900114.8
37G43Very low42.9Very low66 Ų66123 Ų12368%0.6870%0.704SS**SBendtrans-98.8-17.2-173.600000117.3
38L39.8Very low42.8Very low139 Ų139125 Ų12573%0.72871%0.706SS**SBendtrans-137.999.4-170.2-75.3165000110.7
39Y39Very low42.9Very low207 Ų207123.6 Ų123.681%0.81270%0.696SS**  trans57103.4164-51.3-79.2000115.9L41Y39-L41 VanDerWaalsContact C-N 3.27Å; Y39-L41 PolarHBondContact O-N 3.37Å
40G42.9Very low43.1Very low91 Ų91123.5 Ų123.594%0.93869%0.692SS**  trans-64.873.817600000114.5
41L46Very low43.5Very low118 Ų118124 Ų12462%0.61870%0.696SS**  trans-113106.3163.6-69.5172.5000107.6Y39 A43Y39-L41 VanDerWaalsContact C-N 3.27Å; Y39-L41 PolarHBondContact O-N 3.37Å; L41-A43 PolarHBondContact O-N 2.98Å
42S41.7Very low43.7Very low71 Ų71126.8 Ų126.850%0.49769%0.693SS.*  trans-52.7139.2172.971.40000109.7V44 Q45S42-V44 PolarHBondContact O-N 3Å; S42-Q45 PolarHBondContact O-N 2.91Å
43A44.4Very low43.8Very low83 Ų83123.8 Ų123.869%0.68667%0.666SS**THydrogen-bonded Turntrans-51.4-14.6-17700000115L41 Q45L41-A43 PolarHBondContact O-N 2.98Å; A43-Q45 VanDerWaalsContact C-N 3.32Å
44V43.3Very low44.2Very low114 Ų114124 Ų12469%0.69167%0.666SS**Hα-helixtrans-66.7-30.3174.9-174.80000112.3S42S42-V44 PolarHBondContact O-N 3Å
45Q43Very low44.4Very low117 Ų117118.5 Ų118.555%0.54766%0.656SS.*Hα-helixtrans-76.7-31-175.1-133.1132.2-12.800113S42 A43 H48S42-Q45 PolarHBondContact O-N 2.91Å; A43-Q45 VanDerWaalsContact C-N 3.32Å; Q45-H48 PolarHBondContact O-N 2.77Å
46T51.6Low44.3Very low96 Ų96118.7 Ų118.759%0.58965%0.648SS**Hα-helixtrans-71.5-33.1-179-33.10000111.9H48T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 2.98Å
47M39.7Very low44.8Very low155 Ų155115.5 Ų115.576%0.76464%0.642SS**Hα-helixtrans-71.9-26.8176.9-62-164.589.600112.7M49M47-M49 VanDerWaalsContact C-N 3.33Å; M47-M49 PolarHBondContact O-N 3.42Å
48H44.3Very low45.5Very low143 Ų143120.8 Ų120.866%0.66265%0.649SS**Hα-helixtrans-78.8-16.3-177.7-140.8-142.8000113.6Q45 T46Q45-H48 PolarHBondContact O-N 2.77Å; T46-H48 VanDerWaalsContact C-N 3.32Å; T46-H48 PolarHBondContact O-N 2.98Å
49M44.7Very low45.8Very low118 Ų118117.9 Ų117.958%0.58163%0.633SS**Hα-helixtrans-78.4-27.6177.8-82-79.214100113.5M47 H51 W52M47-M49 VanDerWaalsContact C-N 3.33Å; M47-M49 PolarHBondContact O-N 3.42Å; M49-H51 VanDerWaalsContact C-N 3.33Å; M49-H51 PolarHBondContact O-N 3.49Å; M49-W52 PolarHBondContact O-N 3.05Å
50N48.6Very low46.4Very low108 Ų108114.2 Ų114.258%0.57862%0.623SS**THydrogen-bonded Turntrans-70.9-28.1-176.5-71.1-22.9000113.1T53N50-T53 PolarHBondContact O-OG1 3.43Å
51H47.7Very low46.9Very low156 Ų156112.1 Ų112.172%0.72260%0.601SS**THydrogen-bonded Turntrans-79.5-24.1-179.5-164.3-113.3000113.3M49M49-H51 VanDerWaalsContact C-N 3.33Å; M49-H51 PolarHBondContact O-N 3.49Å
52W42.6Very low47.3Very low156 Ų156111.9 Ų111.959%0.59160%0.6SS**THydrogen-bonded Turntrans-84.6-23.4-177.6-101.664.6000114.2M49 L54 Y56M49-W52 PolarHBondContact O-N 3.05Å; W52-L54 VanDerWaalsContact C-N 3.3Å; W52-L54 PolarHBondContact O-N 3.12Å; W52-Y56 HydrophobicContact CE3-CD2 4.48Å
53T46.8Very low47.5Very low27 Ų27115 Ų11517%0.16660%0.601CS.*THydrogen-bonded Turntrans-79.4-7.7-174.757.90000114.7N50N50-T53 PolarHBondContact O-OG1 3.43Å
54L50.5Low48Very low149 Ų149114.6 Ų114.678%0.7859%0.593SS**THydrogen-bonded Turntrans-85.1-8.7179.1-73.4165.4000113.8W52W52-L54 VanDerWaalsContact C-N 3.3Å; W52-L54 PolarHBondContact O-N 3.12Å
55G45.6Very low48.4Very low55 Ų55113.8 Ų113.857%0.56759%0.588SS**SBendtrans-118.6-8.3-174.100000116.9
56Y45.1Very low48.9Very low142 Ų142113.4 Ų113.456%0.55759%0.589SS**  trans-133.8111-172.8-68.9-80.8000112.1W52 H58 M59W52-Y56 HydrophobicContact CE3-CD2 4.48Å; Y56-H58 PolarHBondContact O-N 3.46Å; Y56-H58 VanDerWaalsContact O-N 3.16Å; Y56-M59 PolarHBondContact O-N 3.4Å
57P51.4Low49Very low114 Ų114112 Ų11274%0.7458%0.58SS**G310 helixtrans-60.4-24.8-178.8-23.432.8000114.4M59P57-M59 VanDerWaalsContact C-N 3.27Å; P57-M59 PolarHBondContact O-N 3.29Å
58H55.8Low49.5Very low178 Ų178106.2 Ų106.282%0.82456%0.557SS**G310 helixtrans-73.4-12.7-178-170.4-89.1000114Y56Y56-H58 PolarHBondContact O-N 3.46Å; Y56-H58 VanDerWaalsContact O-N 3.16Å
59M46.1Very low49.6Very low78 Ų78102.4 Ų102.438%0.38455%0.551SS.*G310 helixtrans-102.54-178-70.7-71.4-124.800113.6Y56 P57Y56-M59 PolarHBondContact O-N 3.4Å; P57-M59 VanDerWaalsContact C-N 3.27Å; P57-M59 PolarHBondContact O-N 3.29Å
60Q52.8Low49.8Very low130 Ų130101 Ų10161%0.60756%0.558SS**Hα-helixtrans-73.2-30.1178.1-65.8-159.8-2.900112.9L62 R63 S64Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 3.14Å; Q60-R63 PolarHBondContact O-N 2.78Å; Q60-S64 PolarHBondContact O-N 3.4Å; Q60-S64 PolarHBondContact O-OG 2.65Å
61G53.2Low49.8Very low46 Ų46102.2 Ų102.247%0.47456%0.56SS.*Hα-helixtrans-63.6-34.3178.100000113.5R63 S64 T65G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 2.95Å; G61-S64 PolarHBondContact O-OG 3.49Å; G61-T65 PolarHBondContact O-N 3.42Å; G61-T65 PolarHBondContact O-OG1 3.5Å
62L53.9Low49.8Very low113 Ų11397.9 Ų97.959%0.59256%0.557SS**Hα-helixtrans-70.1-33.2178.2-129.1104.3000111.9Q60 I66Q60-L62 VanDerWaalsContact C-N 3.32Å; Q60-L62 PolarHBondContact O-N 3.14Å; L62-I66 HydrophobicContact CD2-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CD1 3.39Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 2.92Å; L62-I66 VanDerWaalsContact O-N 3.14Å
63R47.5Very low50.1Low138 Ų13896.9 Ų96.952%0.52156%0.563SS.*Hα-helixtrans-70.8-40.1-178.4-172.2174.6176.5174.4-3.2111.7Q60 G61 T67Q60-R63 PolarHBondContact O-N 2.78Å; G61-R63 VanDerWaalsContact C-N 3.33Å; G61-R63 PolarHBondContact O-N 2.95Å; R63-T67 WeakPolarHBondContact O-CB 3.41Å; R63-T67 PolarHBondContact O-N 3.35Å; R63-T67 PolarHBondContact O-OG1 3.45Å
64S54.2Low50Low73 Ų73100 Ų10051%0.5158%0.582SS.*Hα-helixtrans-66.5-39.3176.742.10000112Q60 G61 T67 A68Q60-S64 PolarHBondContact O-N 3.4Å; Q60-S64 PolarHBondContact O-OG 2.65Å; G61-S64 PolarHBondContact O-OG 3.49Å; S64-T67 PolarHBondContact O-N 3.33Å; S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.24Å
65T51Low49.6Very low97 Ų9797.7 Ų97.760%0.59557%0.57SS**Hα-helixtrans-67.5-42.2177.8-39.30000112.7G61 T67 A68 A69G61-T65 PolarHBondContact O-N 3.42Å; G61-T65 PolarHBondContact O-OG1 3.5Å; T65-T67 VanDerWaalsContact C-N 3.33Å; T65-T67 PolarHBondContact O-N 3.06Å; T65-A68 PolarHBondContact O-N 3.48Å; T65-A69 PolarHBondContact O-N 3.48Å; T65-A69 VanDerWaalsContact O-N 3.1Å
66I53.6Low49.5Very low110 Ų110101.2 Ų101.256%0.56458%0.583SS**Hα-helixtrans-66.6-37.4177-67.1167.2000111L62 A69 A70L62-I66 HydrophobicContact CD2-CD1 4.1Å; L62-I66 WeakPolarHBondContact O-CD1 3.39Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.41Å; L62-I66 PolarHBondContact O-N 2.92Å; L62-I66 VanDerWaalsContact O-N 3.14Å; I66-A69 PolarHBondContact O-N 3.35Å; I66-A70 PolarHBondContact O-N 3.39Å; I66-A70 VanDerWaalsContact O-N 3.12Å
67T54.9Low49.5Very low65 Ų65105.1 Ų105.140%0.39960%0.597SS.*Hα-helixtrans-70-37.9178.4-50.10000111.7R63 S64 T65 A70 Q71R63-T67 WeakPolarHBondContact O-CB 3.41Å; R63-T67 PolarHBondContact O-N 3.35Å; R63-T67 PolarHBondContact O-OG1 3.45Å; S64-T67 PolarHBondContact O-N 3.33Å; T65-T67 VanDerWaalsContact C-N 3.33Å; T65-T67 PolarHBondContact O-N 3.06Å; T67-A70 PolarHBondContact O-N 3.33Å; T67-Q71 WeakPolarHBondContact O-CG 3.43Å; T67-Q71 PolarHBondContact O-N 3.25Å
68A48.8Very low49Very low34 Ų34105.5 Ų105.528%0.28159%0.591SS.*Hα-helixtrans-67.8-35.9176.300000112.8S64 T65 Q71 L73S64-A68 WeakPolarHBondContact O-CB 3.38Å; S64-A68 PolarHBondContact O-N 3.24Å; T65-A68 PolarHBondContact O-N 3.48Å; A68-Q71 PolarHBondContact O-N 3.49Å; A68-L73 PolarHBondContact O-N 3.48Å
69A46.1Very low48.2Very low64 Ų64102.3 Ų102.353%0.52959%0.586SS.*Hα-helixtrans-67.6-37.3173.800000112.3T65 I66 Q71 G72T65-A69 PolarHBondContact O-N 3.48Å; T65-A69 VanDerWaalsContact O-N 3.1Å; I66-A69 PolarHBondContact O-N 3.35Å; A69-Q71 VanDerWaalsContact C-N 3.26Å; A69-Q71 PolarHBondContact O-N 3.37Å; A69-G72 PolarHBondContact O-N 3.39Å
70A50.1Low47.7Very low88 Ų88108 Ų10873%0.72761%0.61SS**Hα-helixtrans-70.5-19.3176.900000114I66 T67I66-A70 PolarHBondContact O-N 3.39Å; I66-A70 VanDerWaalsContact O-N 3.12Å; T67-A70 PolarHBondContact O-N 3.33Å
71Q47.3Very low46.9Very low133 Ų133107.3 Ų107.362%0.62162%0.616SS**THydrogen-bonded Turntrans-94.13.6177.4-69.5176.6-11.800113.3T67 A68 A69 L73T67-Q71 WeakPolarHBondContact O-CG 3.43Å; T67-Q71 PolarHBondContact O-N 3.25Å; A68-Q71 PolarHBondContact O-N 3.49Å; A69-Q71 VanDerWaalsContact C-N 3.26Å; A69-Q71 PolarHBondContact O-N 3.37Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD1 4.44Å; Q71-L73 PolarHBondContact O-N 3.42Å
72G49.6Very low46.2Very low65 Ų65109.2 Ų109.267%0.6763%0.627SS**THydrogen-bonded Turntrans70.117.5175.500000114.9A69 V74A69-G72 PolarHBondContact O-N 3.39Å; G72-V74 VanDerWaalsContact C-N 3.35Å
73L47.7Very low45.2Very low136 Ų136111.6 Ų111.671%0.71264%0.64SS**  trans-87-0.4-177.9-71170.6000113.8A68 Q71A68-L73 PolarHBondContact O-N 3.48Å; Q71-L73 VanDerWaalsContact C-N 3.26Å; Q71-L73 HydrophobicContact CB-CD1 4.44Å; Q71-L73 PolarHBondContact O-N 3.42Å
74V46.1Very low44.8Very low92 Ų92109.7 Ų109.756%0.55865%0.645SS**SBendtrans-144.3128.6175.3-165.50000110G72G72-V74 VanDerWaalsContact C-N 3.35Å
75D40.3Very low43.9Very low100 Ų100116.8 Ų116.854%0.53567%0.667SS.*  trans-71.6122.6176.9-167-32.2000110.4R77D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 VanDerWaalsContact O-N 3.1Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; D75-R77 VanDerWaalsContact OD1-N 3.07Å
76P43.8Very low43.2Very low130 Ų130117.8 Ų117.884%0.84467%0.673SS**THydrogen-bonded Turntrans-72.84.5-178.128.8-33.7000114.3
77R44.9Very low42.2Very low223 Ų223117.6 Ų117.684%0.84269%0.688SS**THydrogen-bonded Turntrans-99.15.3179.6-70.9-174.9172.2178-0.6115.9D75 P79D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 VanDerWaalsContact O-N 3.1Å; D75-R77 WeakPolarHBondContact OD1-CB 3.28Å; D75-R77 PolarHBondContact OD1-N 3.16Å; D75-R77 VanDerWaalsContact OD1-N 3.07Å; R77-P79 WeakPolarHBondContact O-CD 3.43Å
78I42.3Very low41Very low122 Ų122119.5 Ų119.563%0.62671%0.711SS**PPolyproline II helixtrans-86.8120.3177.2-53.5178.3000109.8F80I78-F80 PolarHBondContact O-N 3.38Å
79P38.1Very low40.4Very low111 Ų111122.6 Ų122.672%0.72174%0.736SS**PPolyproline II helixtrans-66.4127.9171.4-7.322.6000108.9R77R77-P79 WeakPolarHBondContact O-CD 3.43Å
80F36.5Very low40.2Very low199 Ų199128.3 Ų128.387%0.87375%0.752SS**PPolyproline II helixtrans-51.8132.4171.1-99.6-94.5000110.1I78 A82I78-F80 PolarHBondContact O-N 3.38Å; F80-A82 PolarHBondContact O-N 3.45Å
81P34.7Very low39.3Very low115 Ų115132 Ų13275%0.74776%0.759SS**PPolyproline II helixtrans-64.2125.4166.327.2-30.3000107.7
82A39.8Very low38.4Very low86 Ų86135.5 Ų135.571%0.71177%0.772SS**PPolyproline II helixtrans-54.3146167.100000109.9F80F80-A82 PolarHBondContact O-N 3.45Å
83L32.6Very low37.4Very low163 Ų163141.4 Ų141.485%0.85378%0.782SS**  trans123.9145.9151.6-63.4174.4000114.1
84P37.8Very low36.8Very low97 Ų97140.3 Ų140.363%0.6378%0.783SS**  cis-129.5138.2-23.930.9-12.4000112.9T86P84-T86 PolarHBondContact O-N 3.44Å
85F35.5Very low36.1Very low222 Ų222145.8 Ų145.897%0.97480%0.799SS**  trans-77.661.7168.1-120.9-86.3000110.4
86T37.2Very low35.7Very low118 Ų118149.6 Ų149.672%0.72481%0.814SS**  trans-15581.917350.10000111.3P84P84-T86 PolarHBondContact O-N 3.44Å
87A32.5Very low34.9Very low106 Ų106148 Ų14888%0.87681%0.812SS**SBendtrans-178.563.7153.900000111.8
88A30.5Very low34.2Very low106 Ų106142.9 Ų142.988%0.87681%0.805SS**  trans-158.623.8158.800000112.8
89A35.8Very low33.6Very low98 Ų98142.4 Ų142.481%0.8181%0.808SS**  trans-104.570.9170.900000108.5
90Q41.4Very low33.2Very low184 Ų184142.8 Ų142.886%0.8681%0.808SS**  trans-167.599.9161.3-107.1172.433.600107.7
91L30.9Very low32.9Very low167 Ų167141.4 Ų141.487%0.87480%0.804SS**SBendtrans155.955.4150.9-81.2174.7000109.8
92F27.6Very low32.6Very low205 Ų205139.2 Ų139.290%0.89980%0.802SS**  trans-143.791.5155.2-89.3-79.1000108.4P94F92-P94 WeakPolarHBondContact O-CD 3.46Å
93H30.3Very low32.2Very low190 Ų190143.2 Ų143.288%0.8881%0.81SS**  trans-96.4109.2155.1-79.3-72.1000107.9
94P34Very low32.1Very low113 Ų113140.7 Ų140.773%0.73480%0.803SS**  trans-86.1107.2152.130.2-24.6000107.7F92F92-P94 WeakPolarHBondContact O-CD 3.46Å
95K31.1Very low31.8Very low207 Ų207141.3 Ų141.390%0.981%0.807SS**  trans-63.3137.4163-87.2-173.8176.4-178.80108.7
96Q31.6Very low32.2Very low180 Ų180140.1 Ų140.184%0.84180%0.804SS**  trans-64140.5-174.8-62.6160.6-24.900112.1
97A27.9Very low31.9Very low97 Ų97142.4 Ų142.480%0.80281%0.806SS**  trans-140.587.9140.300000106.7V99A97-V99 PolarHBondContact O-N 2.99Å
98V30Very low31.9Very low115 Ų115146.2 Ų146.270%0.69780%0.803SS**  trans-70.9108.5166.3167.30000106.4T100V98-T100 HydrophobicContact CG1-CG2 3.6Å
99V29Very low31.9Very low112 Ų112148.4 Ų148.468%0.67980%0.8SS**  trans-101.996156.9178.90000106A97 H101A97-V99 PolarHBondContact O-N 2.99Å; V99-H101 WeakPolarHBondContact CG1-CD2 3.04Å; V99-H101 PolarHBondContact O-N 3.42Å; V99-H101 VanDerWaalsContact O-N 3.15Å
100T30.4Very low31.8Very low119 Ų119154.3 Ų154.373%0.7380%0.802SS**  trans-68.1101.1165.847.20000108.5V98V98-T100 HydrophobicContact CG1-CG2 3.6Å
101H30.6Very low31.2Very low170 Ų170150.7 Ų150.779%0.78779%0.794SS**  trans-109.2118.7150.3-74.9-60.2000107.8V99V99-H101 WeakPolarHBondContact CG1-CD2 3.04Å; V99-H101 PolarHBondContact O-N 3.42Å; V99-H101 VanDerWaalsContact O-N 3.15Å
102G27.1Very low31.3Very low69 Ų69153 Ų15371%0.71179%0.791SS**PPolyproline II helixtrans-56.4152.5-171.400000113.6P104G102-P104 VanDerWaalsContact O-CD 3.31Å; G102-P104 WeakPolarHBondContact O-CD 3.38Å
103I31.5Very low31.6Very low170 Ų170151.8 Ų151.887%0.87279%0.785SS**PPolyproline II helixtrans-53.2118.3166.3-60.7161000108.6
104P31.6Very low31.6Very low110 Ų110148.7 Ų148.771%0.71478%0.775SS**PPolyproline II helixtrans-84.8144.2164.131.6-26.1000109.6G102G102-P104 VanDerWaalsContact O-CD 3.31Å; G102-P104 WeakPolarHBondContact O-CD 3.38Å
105P30.7Very low31.6Very low109 Ų109153 Ų15371%0.70878%0.783SS**PPolyproline II helixtrans-73159.3-173.831.4-34.7000112.1H107P105-H107 PolarHBondContact O-N 2.92Å; P105-H107 VanDerWaalsContact O-N 3.12Å
106H44.3Very low31.7Very low197 Ų197147 Ų14791%0.91277%0.771SS**  trans-44112.2169.2-93.2-95.5000112.3
107H30.9Very low32.1Very low167 Ų167146 Ų14677%0.77377%0.772SS**  trans-112.1115.4161-117.4-83.3000109.4P105P105-H107 PolarHBondContact O-N 2.92Å; P105-H107 VanDerWaalsContact O-N 3.12Å
108K31.9Very low32.6Very low186 Ų186150 Ų15081%0.80978%0.779SS**SBendtrans-61.4136.5155.1-66.7173.8-179.9176.50105.7
109D31.3Very low32.8Very low152 Ų152148.7 Ų148.781%0.81378%0.78SS**  trans103.676.6-173.9-51.7-28.1000113.4
110R32.9Very low33.4Very low222 Ų222151.9 Ų151.984%0.83879%0.793SS**PPolyproline II helixtrans-90.4120.5164.2-165.3-175.5-81-1253.5108
111P29.7Very low33.4Very low107 Ų107151.3 Ų151.370%0.69580%0.8SS**PPolyproline II helixtrans-66.8145.9178.325.5-30.9000110.9F113P111-F113 PolarHBondContact O-N 2.99Å
112R32.4Very low33.4Very low215 Ų215148 Ų14881%0.81180%0.802SS**PPolyproline II helixtrans-56.3123.5169.2-176.3173.1173.7136.9-5.3108.2D114R112-D114 PolarHBondContact O-N 3.05Å
113F33.7Very low33.6Very low180 Ų180151.1 Ų151.179%0.78981%0.808SS**  trans-6897.9175-94.3-92.5000109P111P111-F113 PolarHBondContact O-N 2.99Å
114D31.7Very low33.7Very low125 Ų125151.2 Ų151.267%0.66880%0.804SS**  trans-86.4124172.5-71.4-36.6000109.9R112 A116R112-D114 PolarHBondContact O-N 3.05Å; D114-A116 PolarHBondContact O-N 3.11Å
115F32.7Very low33.6Very low205 Ų205154.8 Ų154.890%0.89981%0.812SS**THydrogen-bonded Turntrans-73.826-176.1-83.7-87.9000114.4
116A33.6Very low33.7Very low79 Ų79156.3 Ų156.365%0.65381%0.814SS**THydrogen-bonded Turntrans-92.8-12.9-166.400000116D114D114-A116 PolarHBondContact O-N 3.11Å
117N39.4Very low33.2Very low160 Ų160152.1 Ų152.186%0.85680%0.804SS**  trans-130.172.4-174.7-74.9-28.6000113.3
118L38.1Very low33.3Very low180 Ų180150.4 Ų150.494%0.94281%0.808SS**  trans-124.760.5159-158.778.3000109.3
119A36Very low33.4Very low88 Ų88151.3 Ų151.373%0.72781%0.812SS**  trans-152.765.9174.300000110.4
120L40.5Very low33.7Very low179 Ų179149.3 Ų149.394%0.93782%0.816SS**  trans-171.883.6151.1-139.867.6000111.1
121A30.3Very low33.7Very low107 Ų107142.4 Ų142.488%0.88481%0.807SS**  trans-17471.7155.600000108.6
122A30.9Very low33.7Very low100 Ų100144.7 Ų144.783%0.82681%0.813SS**  trans-123.5103.4160.700000106.2Q124A122-Q124 PolarHBondContact O-N 3.15Å
123T31.3Very low33.9Very low136 Ų136141.5 Ų141.583%0.83481%0.811SS**  trans-62.4117170.243.60000109.1E125T123-E125 PolarHBondContact O-N 3.12Å
124Q34Very low34.2Very low171 Ų171137.9 Ų137.980%0.79982%0.815SS**  trans-2.4108.8145.7-164167.1-6.900116.3A122A122-Q124 PolarHBondContact O-N 3.15Å
125E28.6Very low34.6Very low186 Ų186140.6 Ų140.687%0.86982%0.82SS**  trans-143.7124.3152.9-74.9-77.9138.800105.9T123T123-E125 PolarHBondContact O-N 3.12Å
126D33.3Very low34.8Very low140 Ų140139.7 Ų139.775%0.74982%0.824SS**PPolyproline II helixtrans-67.6148.2-173.8-70.8-63.3000113.5
127P34.3Very low34.9Very low110 Ų110140.6 Ų140.671%0.71483%0.831SS**PPolyproline II helixtrans-78.1137.7176.930.7-33.1000112K129P127-K129 PolarHBondContact O-N 3.33Å
128P32.6Very low34.7Very low131 Ų131139.1 Ų139.185%0.85183%0.833SS**PPolyproline II helixtrans-70.9129.6168.227-30.3000110.6
129K34.4Very low34.5Very low205 Ų205134 Ų13489%0.89182%0.824SS**PPolyproline II helixtrans-60.2137.3-179.7-70.9170178171.70111.7P127 A131P127-K129 PolarHBondContact O-N 3.33Å; K129-A131 PolarHBondContact O-N 2.68Å
130A36.8Very low34.5Very low109 Ų109138.4 Ų138.490%0.90183%0.834SS**  trans-68.9108166.800000110.3
131A33Very low34.1Very low78 Ų78134 Ų13465%0.64583%0.833SS**  trans-163.4140.4153.800000108.8K129K129-A131 PolarHBondContact O-N 2.68Å
132D31.2Very low34.1Very low154 Ų154132.3 Ų132.382%0.82483%0.826SS**  trans93.5130.4164.5-53.8-32.6000119.8
133L36.6Very low34.5Very low148 Ų148133.9 Ų133.978%0.77583%0.825SS**  trans94.454.9163.4-68.5143.2000117.9K135L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 HydrophobicContact CD2-CB 4.29Å; L133-K135 PolarHBondContact O-N 3.39Å
134A38Very low35Very low104 Ų104135.9 Ų135.986%0.8683%0.829SS**  -54.393.3126.400000110.4
135K41.5Very low35.3Very low182 Ų182132.5 Ų132.579%0.79182%0.824SS**  trans-176.178.6157.8-108.6174.5-176.2179.60108.7L133L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 HydrophobicContact CD2-CB 4.29Å; L133-K135 PolarHBondContact O-N 3.39Å
136L36.8Very low35.9Very low187 Ų187131 Ų13198%0.97982%0.817SS**  trans-165.645.5155.3-98.1175.1000109.5
137A35.7Very low36.2Very low97 Ų97132.1 Ų132.180%0.80282%0.822SS**  trans-118.486.6166.200000107.7
138S34.7Very low36.4Very low129 Ų129131 Ų13190%0.90282%0.817SS**  trans-163.9102.2168-70.20000108.1
139G34.3Very low36.9Very low72 Ų72133 Ų13374%0.74281%0.812SS**SBendtrans147.9109.9166.100000114.1
140L34.8Very low37Very low181 Ų181130.7 Ų130.795%0.94881%0.809SS**  trans87.985.9166.1-47.6-178.9000115.1
141G32.5Very low37.1Very low88 Ų88130.8 Ų130.891%0.90780%0.803SS**  trans-64.7149.6163.100000112.6
142G30.8Very low38Very low71 Ų71132.5 Ų132.573%0.73281%0.808SS**  trans-156.9116.8167.300000107.3
143T38.8Very low38.5Very low133 Ų133132.8 Ų132.882%0.81681%0.809SS**  trans-66.2134.2-177.546.20000111.2S145T143-S145 VanDerWaalsContact C-N 3.26Å; T143-S145 PolarHBondContact O-N 2.85Å
144I41.5Very low38.9Very low177 Ų177137.1 Ų137.191%0.90882%0.815SS**SBendtrans-77.477.9173.1-47.3168.6000108.3
145S40.8Very low38.7Very low101 Ų101141.4 Ų141.471%0.70682%0.815SS**  trans-156.4112.4165.7-95.30000106.6T143T143-S145 VanDerWaalsContact C-N 3.26Å; T143-S145 PolarHBondContact O-N 2.85Å
146E41.1Very low38.6Very low153 Ų153138.9 Ų138.972%0.71582%0.817SS**  trans109.156.5-176.8-68.2-73.2109.700116
147L40.1Very low39.4Very low164 Ų164136.3 Ų136.386%0.85981%0.809SS**  trans-126.549.9153.5-86.8165000110.4
148S38.5Very low39.9Very low87 Ų87143.7 Ų143.761%0.60882%0.816SS**  trans-90.212174.859.60000113.9
149K44Very low40.1Very low172 Ų172141.2 Ų141.275%0.74881%0.81SS**  trans-13869.8-177.1-65.5178.2-173.2167.60113.1
150L35.8Very low41.1Very low157 Ų157149 Ų14982%0.82282%0.817SS**  trans-137.198.5154.5-75.8174.8000108.8
151S38.3Very low41.7Very low112 Ų112147.8 Ų147.878%0.78381%0.811SS**  trans-102.6135.9153.1-133.70000106.8
152P53Low42.6Very low113 Ų113149.1 Ų149.173%0.73480%0.804SS**  -134.1140.8113.833.9-22.7000112.6R154P152-R154 PolarHBondContact O-N 3.27Å; P152-R154 VanDerWaalsContact O-N 3.14Å
153D41.9Very low43.9Very low160 Ų160150.7 Ų150.786%0.85680%0.803SS**  trans-35.2108.2169.7-77.5-72.9000114.3
154R44.2Very low44.8Very low240 Ų240153.7 Ų153.791%0.90681%0.805SS**  trans-109.5111.2148-74.8-171.9-172.4-162.53.1107.7P152P152-R154 PolarHBondContact O-N 3.27Å; P152-R154 VanDerWaalsContact O-N 3.14Å
155K34.1Very low45.4Very low194 Ų194152.4 Ų152.484%0.84381%0.806SS**  trans-44133.4170.8-88.8-179.3176.2177.80110.3T157K155-T157 PolarHBondContact O-N 2.85Å
156P39.1Very low46.4Very low129 Ų129153.4 Ų153.484%0.83880%0.797SS**  trans-65.7109.8178.3-15.428.1000110R158P156-R158 PolarHBondContact O-N 3Å; P156-R158 VanDerWaalsContact O-N 3.17Å
157T52.7Low47.9Very low132 Ų132154.3 Ų154.381%0.8180%0.799SS**  trans-63.4114.7161.141.60000107.3K155 G159K155-T157 PolarHBondContact O-N 2.85Å; T157-G159 PolarHBondContact O-N 3.04Å
158R47.4Very low50.1Low253 Ų253151.6 Ų151.696%0.95578%0.782SS**  trans-23.694.7179.9-74.8-179.5-175.1167.21.4112.4P156 R160P156-R158 PolarHBondContact O-N 3Å; P156-R158 VanDerWaalsContact O-N 3.17Å; R158-R160 PolarHBondContact O-N 3.23Å
159G38.3Very low52.4Low76 Ų76150.2 Ų150.278%0.78477%0.765SS**PPolyproline II helixtrans-70.6116.2179.600000109.6T157T157-G159 PolarHBondContact O-N 3.04Å
160R56.3Low54.7Low236 Ų236146.1 Ų146.189%0.89175%0.751SS**PPolyproline II helixtrans-80.1121.3160.4-178.4-179.5-67.9-100.7-1.2106.2R158R158-R160 PolarHBondContact O-N 3.23Å
161L47.5Very low57.4Low156 Ų156138.7 Ų138.782%0.81771%0.712SS**PPolyproline II helixtrans-48.1142.1173.1-81.3145.7000111.1S163L161-S163 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact O-N 3.1Å
162P51Low59.9Low116 Ų116142.4 Ų142.475%0.75371%0.714SS**  trans-66.7113.4-177.825.9-30.6000109.7
163S58.8Low61.6Low103 Ų103143 Ų14372%0.7271%0.705SS**  trans-77.2124.7173.9-174.30000108.7L161 T165L161-S163 PolarHBondContact O-N 3.48Å; L161-S163 VanDerWaalsContact O-N 3.1Å; S163-T165 PolarHBondContact O-N 3.34Å
164K57Low64Low197 Ų197138 Ų13886%0.85768%0.682SS**THydrogen-bonded Turntrans-31.1117.9-179.1-73.4173.4174.5177.20113.5K166K164-K166 PolarHBondContact O-N 3.27Å
165T54.7Low66.1Low150 Ų150128.4 Ų128.492%0.9266%0.658SS**THydrogen-bonded Turntrans40.953.2161.855.50000116.9S163S163-T165 PolarHBondContact O-N 3.34Å
166K61.8Low68.7Low121 Ų121126.8 Ų126.853%0.52665%0.646SS.*  trans-102.3120.4161.5-161.2170.2-170.5171.30108.8K164 E168 T179K164-K166 PolarHBondContact O-N 3.27Å; K166-E168 WeakPolarHBondContact O-CG 3.38Å; K166-E168 PolarHBondContact O-N 3.33Å; K166-T179 VanDerWaalsContact CE-O 3.28Å; K166-T179 WeakPolarHBondContact CE-O 3.09Å
167K72.4Confident71.2Confident172 Ų172126.1 Ų126.175%0.74863%0.632SS**  trans-54112.4172.9-174.5173-177.7173.50108.4F169K167-F169 WeakPolarHBondContact O-CE2 3.43Å
168E84.7Confident73Confident108 Ų108121.8 Ų121.851%0.50560%0.602SS.*  trans-80.1140.8177.9-59-172.1169.100109.2K166 H177K166-E168 WeakPolarHBondContact O-CG 3.38Å; K166-E168 PolarHBondContact O-N 3.33Å; E168-H177 IonicContact OE2-CE1 3.58Å; E168-H177 IonicContact OE2-CG 3.69Å; E168-H177 IonicContact OE2-ND1 2.65Å; E168-H177 PolarHBondContact OE2-ND1 3.31Å
169F88.3Confident75Confident58 Ų58113.9 Ų113.925%0.25458%0.581SS.*EExtended strand (participates in β ladder)trans-105.7114.6177.2-64.4-83.2000108K167 H177 F178 K180 S181 L184K167-F169 WeakPolarHBondContact O-CE2 3.43Å; F169-H177 CarbonylContact O-C 3.54Å; F169-F178 HydrophobicContact CB-CB 4.25Å; F169-F178 PolarHBondContact N-O 3.15Å; F169-F178 WeakPolarHBondContact O-CB 3.31Å; F169-F178 PolarHBondContact O-N 2.99Å; F169-K180 VanDerWaalsContact CD2-C 3.45Å; F169-S181 VanDerWaalsContact CD2-N 3.31Å; F169-L184 HydrophobicContact CB-CB 3.95Å; F169-L184 HydrophobicContact CB-CD2 3.73Å; F169-L184 HydrophobicContact CB-CG 4.44Å
170I90.8Very high77.5Confident86 Ų86114.9 Ų114.944%0.44156%0.564SS.*EExtended strand (participates in β ladder)trans-105.2132.4-173.3-54.8174.2000109.4K172 R176I170-K172 PolarHBondContact O-N 3.22Å; I170-R176 WeakPolarHBondContact CA-O 3.29Å
171C92.6Very high79.1Confident1 Ų1107 Ų1071%0.00755%0.545CS..  trans-70.5125.3174-1800000111.4F173 G175 R176 F178 L184 H187C171-F173 VanDerWaalsContact C-N 3.26Å; C171-F173 PolarHBondContact O-N 3.44Å; C171-G175 VanDerWaalsContact O-CA 3.27Å; C171-G175 WeakPolarHBondContact O-CA 3.42Å; C171-G175 PolarHBondContact O-N 3.09Å; C171-R176 HydrophobicContact CB-CB 4.46Å; C171-R176 PolarHBondContact N-O 2.98Å; C171-F178 HydrophobicContact CB-CE2 4.13Å; C171-L184 VanDerWaalsContact CA-CD1 3.41Å; C171-L184 HydrophobicContact CB-CD1 3.68Å; C171-H187 PolarHBondContact SG-CD2 3.43Å; C171-H187 PolarHBondContact SG-NE2 3.29Å; C171-H187 VanDerWaalsContact SG-NE2 3.43Å
172K90.9Very high81Confident190 Ų190105 Ų10583%0.82653%0.528SS*.THydrogen-bonded Turntrans-66.8-27.8-179.6-60.4179.1-176.7177.20113.1I170I170-K172 PolarHBondContact O-N 3.22Å
173F89.6Confident82.9Confident125 Ų125102 Ų10255%0.54851%0.505SS..THydrogen-bonded Turntrans-85.1-33.1-176.9-59.2-77.4000113.7C171 E188 H191 T192C171-F173 VanDerWaalsContact C-N 3.26Å; C171-F173 PolarHBondContact O-N 3.44Å; F173-E188 HydrophobicContact CD2-CG 4.41Å; F173-E188 HydrophobicContact CE2-CG 4.43Å; F173-H191 HydrophobicContact CB-CB 4.17Å; F173-H191 HydrophobicContact CD1-CB 4.24Å; F173-H191 HydrophobicContact CD2-CB 3.73Å; F173-H191 AromaticContact CD2-CD2 3.69Å; F173-H191 AromaticContact CD2-CG 3.8Å; F173-H191 HydrophobicContact CE2-CB 4.14Å; F173-H191 HydrophobicContact CG-CB 3.78Å; F173-H191 AromaticContact CG-CD2 3.92Å; F173-H191 AromaticContact CG-CG 3.72Å; F173-T192 HydrophobicContact CE2-CG2 4.35Å; F173-T192 HydrophobicContact CZ-CG2 4.15Å
174C92Very high84.5Confident56 Ų5698 Ų9838%0.37848%0.476SS..THydrogen-bonded Turntrans-135.23-171.672.80000115.1R176 H187C174-R176 PolarHBondContact O-N 2.72Å; C174-R176 VanDerWaalsContact O-N 3.12Å; C174-H187 PolarHBondContact SG-NE2 3.39Å
175G87.7Confident86Confident38 Ų3892.7 Ų92.739%0.39246%0.456SS..  trans67.79.2177.300000115.2C171 H177C171-G175 VanDerWaalsContact O-CA 3.27Å; C171-G175 WeakPolarHBondContact O-CA 3.42Å; C171-G175 PolarHBondContact O-N 3.09Å; G175-H177 PolarHBondContact O-CD2 2.74Å
176R90Very high87.7Confident160 Ų16087.8 Ų87.860%0.60442%0.424SS*.  trans-68.7136.2178.2-76.5-178-178.1-173.32111.4I170 C171 C174 F178I170-R176 WeakPolarHBondContact CA-O 3.29Å; C171-R176 HydrophobicContact CB-CB 4.46Å; C171-R176 PolarHBondContact N-O 2.98Å; C174-R176 PolarHBondContact O-N 2.72Å; C174-R176 VanDerWaalsContact O-N 3.12Å; R176-F178 HydrophobicContact CB-CE2 3.71Å; R176-F178 HydrophobicContact CB-CZ 4.05Å; R176-F178 WeakPolarHBondContact O-CD2 3.25Å; R176-F178 WeakPolarHBondContact O-CE2 3.22Å
177H91Very high89Confident115 Ų11583.1 Ų83.153%0.53240%0.404SS..EExtended strand (participates in β ladder)trans-90.8135.6178.9-63.2-114.5000111E168 F169 G175E168-H177 IonicContact OE2-CE1 3.58Å; E168-H177 IonicContact OE2-CG 3.69Å; E168-H177 IonicContact OE2-ND1 2.65Å; E168-H177 PolarHBondContact OE2-ND1 3.31Å; F169-H177 CarbonylContact O-C 3.54Å; G175-H177 PolarHBondContact O-CD2 2.74Å
178F90.5Very high89.9Confident41 Ų4176.8 Ų76.818%0.1838%0.377CS..EExtended strand (participates in β ladder)trans-125.8141.3177.2-63.2-88000109.9F169 C171 R176 K180 N183 L184 H187F169-F178 HydrophobicContact CB-CB 4.25Å; F169-F178 PolarHBondContact N-O 3.15Å; F169-F178 WeakPolarHBondContact O-CB 3.31Å; F169-F178 PolarHBondContact O-N 2.99Å; C171-F178 HydrophobicContact CB-CE2 4.13Å; R176-F178 HydrophobicContact CB-CE2 3.71Å; R176-F178 HydrophobicContact CB-CZ 4.05Å; R176-F178 WeakPolarHBondContact O-CD2 3.25Å; R176-F178 WeakPolarHBondContact O-CE2 3.22Å; F178-K180 VanDerWaalsContact C-N 3.28Å; F178-K180 PolarHBondContact O-N 3.3Å; F178-N183 HydrophobicContact CB-CB 4.39Å; F178-N183 HydrophobicContact CD1-CB 3.83Å; F178-N183 HydrophobicContact CG-CB 4.42Å; F178-L184 HydrophobicContact CB-CB 4.18Å; F178-L184 HydrophobicContact CD2-CB 3.99Å; F178-L184 HydrophobicContact CD2-CD1 3.82Å; F178-L184 HydrophobicContact CE2-CD1 4.06Å; F178-L184 HydrophobicContact CG-CB 4.18Å; F178-H187 HydrophobicContact CE1-CB 3.92Å; F178-H187 HydrophobicContact CE2-CB 4.01Å; F178-H187 AromaticContact CE2-CD2 3.46Å; F178-H187 VanDerWaalsContact CE2-CD2 3.46Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.29Å; F178-H187 AromaticContact CE2-CG 3.75Å; F178-H187 HydrophobicContact CZ-CB 3.45Å; F178-H187 VanDerWaalsContact CZ-CB 3.45Å; F178-H187 AromaticContact CZ-CD2 3.43Å; F178-H187 VanDerWaalsContact CZ-CD2 3.43Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CG 3.24Å; F178-H187 AromaticContact CZ-ND1 3.85Å
179T89.9Confident90.2Very high86 Ų8673.5 Ų73.553%0.52836%0.36SS..SBendtrans-80.9-9.7178.654.80000113.3K166K166-T179 VanDerWaalsContact CE-O 3.28Å; K166-T179 WeakPolarHBondContact CE-O 3.09Å
180K89.3Confident90.2Very high98 Ų9873.2 Ų73.243%0.42636%0.363SS..SBendtrans-143.6139.4-176.9-55.3-173-175.5179.90110.3F169 F178 Y182 N183 L184F169-K180 VanDerWaalsContact CD2-C 3.45Å; F178-K180 VanDerWaalsContact C-N 3.28Å; F178-K180 PolarHBondContact O-N 3.3Å; K180-Y182 HydrophobicContact CB-CD1 3.89Å; K180-Y182 HydrophobicContact CB-CE1 3.84Å; K180-Y182 HydrophobicContact CD-CD1 4.1Å; K180-Y182 HydrophobicContact CD-CE1 3.28Å; K180-Y182 HydrophobicContact CG-CE1 4.21Å; K180-Y182 PolarHBondContact O-N 3.4Å; K180-N183 PolarHBondContact O-N 3.21Å; K180-L184 PolarHBondContact O-N 3.26Å
181S89.9Confident90.1Very high69 Ų6972.7 Ų72.748%0.48336%0.358SS..Hα-helixtrans-59.8-42-179.655.60000113.2F169 N183 L184 L185F169-S181 VanDerWaalsContact CD2-N 3.31Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.25Å; S181-L184 WeakPolarHBondContact O-CB 3.4Å; S181-L184 PolarHBondContact O-N 3.43Å; S181-L184 VanDerWaalsContact O-N 3.09Å; S181-L185 PolarHBondContact O-N 3.5Å
182Y88.5Confident89.8Confident116 Ų11675.6 Ų75.646%0.45538%0.376SS..Hα-helixtrans-63.7-32.3-179.783.5-100.6000112.3K180 L185 I186K180-Y182 HydrophobicContact CB-CD1 3.89Å; K180-Y182 HydrophobicContact CB-CE1 3.84Å; K180-Y182 HydrophobicContact CD-CD1 4.1Å; K180-Y182 HydrophobicContact CD-CE1 3.28Å; K180-Y182 HydrophobicContact CG-CE1 4.21Å; K180-Y182 PolarHBondContact O-N 3.4Å; Y182-L185 PolarHBondContact O-N 3.43Å; Y182-I186 HydrophobicContact CD2-CD1 3.94Å; Y182-I186 HydrophobicContact CE2-CD1 4.44Å; Y182-I186 VanDerWaalsContact O-CG1 3.31Å; Y182-I186 WeakPolarHBondContact O-CG1 3.25Å; Y182-I186 PolarHBondContact O-N 3.12Å
183N90.5Very high89.6Confident51 Ų5171 Ų7127%0.27336%0.361SS..Hα-helixtrans-69.1-38.8175.9-75.5-38.3000110.7F178 K180 S181 H187F178-N183 HydrophobicContact CB-CB 4.39Å; F178-N183 HydrophobicContact CD1-CB 3.83Å; F178-N183 HydrophobicContact CG-CB 4.42Å; K180-N183 PolarHBondContact O-N 3.21Å; S181-N183 VanDerWaalsContact C-N 3.25Å; S181-N183 PolarHBondContact O-N 3.25Å; N183-H187 VanDerWaalsContact O-CB 3.26Å; N183-H187 WeakPolarHBondContact O-CB 3.14Å; N183-H187 PolarHBondContact O-N 2.72Å
184L91.9Very high89.4Confident21 Ų2170.5 Ų70.511%0.1136%0.36CS..Hα-helixtrans-61.2-49.6172.9169.862.5000110.4F169 C171 F178 K180 S181 I186 H187 E188F169-L184 HydrophobicContact CB-CB 3.95Å; F169-L184 HydrophobicContact CB-CD2 3.73Å; F169-L184 HydrophobicContact CB-CG 4.44Å; C171-L184 VanDerWaalsContact CA-CD1 3.41Å; C171-L184 HydrophobicContact CB-CD1 3.68Å; F178-L184 HydrophobicContact CB-CB 4.18Å; F178-L184 HydrophobicContact CD2-CB 3.99Å; F178-L184 HydrophobicContact CD2-CD1 3.82Å; F178-L184 HydrophobicContact CE2-CD1 4.06Å; F178-L184 HydrophobicContact CG-CB 4.18Å; K180-L184 PolarHBondContact O-N 3.26Å; S181-L184 WeakPolarHBondContact O-CB 3.4Å; S181-L184 PolarHBondContact O-N 3.43Å; S181-L184 VanDerWaalsContact O-N 3.09Å; L184-I186 PolarHBondContact O-N 3.19Å; L184-H187 CarbonylContact O-C 3.6Å; L184-H187 WeakPolarHBondContact O-CA 3.41Å; L184-H187 WeakPolarHBondContact O-CB 3.38Å; L184-H187 PolarHBondContact O-N 3.15Å; L184-E188 HydrophobicContact CD1-CG 3.84Å; L184-E188 HydrophobicContact CG-CG 4.31Å; L184-E188 WeakPolarHBondContact O-CG 3.43Å; L184-E188 PolarHBondContact O-N 2.99Å
185L89.9Confident89.3Confident85 Ų8573.8 Ų73.845%0.44537%0.365SS..Hα-helixtrans-58.1-46.7-179.4-177.569.2000112.3S181 Y182 H187 E188 R189S181-L185 PolarHBondContact O-N 3.5Å; Y182-L185 PolarHBondContact O-N 3.43Å; L185-H187 VanDerWaalsContact C-N 3.25Å; L185-H187 PolarHBondContact O-N 3.09Å; L185-E188 PolarHBondContact O-N 2.91Å; L185-R189 PolarHBondContact O-N 3.2Å
186I89.4Confident89.3Confident47 Ų4775.4 Ų75.424%0.24137%0.368CS..Hα-helixtrans-62.8-36.8176.2-69.6170.3000111Y182 L184 R189 R208Y182-I186 HydrophobicContact CD2-CD1 3.94Å; Y182-I186 HydrophobicContact CE2-CD1 4.44Å; Y182-I186 VanDerWaalsContact O-CG1 3.31Å; Y182-I186 WeakPolarHBondContact O-CG1 3.25Å; Y182-I186 PolarHBondContact O-N 3.12Å; L184-I186 PolarHBondContact O-N 3.19Å; I186-R189 WeakPolarHBondContact O-CB 3.46Å; I186-R208 HydrophobicContact CD1-CG 4.49Å; I186-R208 HydrophobicContact CG2-CG 3.55Å
187H90.1Very high89.4Confident23 Ų2371 Ų7111%0.10635%0.352CS..Hα-helixtrans-69.4-38.6176.117367000112.1C171 C174 F178 N183 L184 L185 R189 T190 H191C171-H187 PolarHBondContact SG-CD2 3.43Å; C171-H187 PolarHBondContact SG-NE2 3.29Å; C171-H187 VanDerWaalsContact SG-NE2 3.43Å; C174-H187 PolarHBondContact SG-NE2 3.39Å; F178-H187 HydrophobicContact CE1-CB 3.92Å; F178-H187 HydrophobicContact CE2-CB 4.01Å; F178-H187 AromaticContact CE2-CD2 3.46Å; F178-H187 VanDerWaalsContact CE2-CD2 3.46Å; F178-H187 WeakPolarHBondContact CE2-CD2 3.29Å; F178-H187 AromaticContact CE2-CG 3.75Å; F178-H187 HydrophobicContact CZ-CB 3.45Å; F178-H187 VanDerWaalsContact CZ-CB 3.45Å; F178-H187 AromaticContact CZ-CD2 3.43Å; F178-H187 VanDerWaalsContact CZ-CD2 3.43Å; F178-H187 WeakPolarHBondContact CZ-CD2 3.48Å; F178-H187 AromaticContact CZ-CG 3.24Å; F178-H187 AromaticContact CZ-ND1 3.85Å; N183-H187 VanDerWaalsContact O-CB 3.26Å; N183-H187 WeakPolarHBondContact O-CB 3.14Å; N183-H187 PolarHBondContact O-N 2.72Å; L184-H187 CarbonylContact O-C 3.6Å; L184-H187 WeakPolarHBondContact O-CA 3.41Å; L184-H187 WeakPolarHBondContact O-CB 3.38Å; L184-H187 PolarHBondContact O-N 3.15Å; L185-H187 VanDerWaalsContact C-N 3.25Å; L185-H187 PolarHBondContact O-N 3.09Å; H187-R189 PolarHBondContact O-N 3.5Å; H187-T190 WeakPolarHBondContact O-CA 3.44Å; H187-T190 VanDerWaalsContact O-CB 3.22Å; H187-T190 WeakPolarHBondContact O-CB 3.31Å; H187-T190 WeakPolarHBondContact O-CG2 3.46Å; H187-T190 PolarHBondContact O-N 2.91Å; H187-T190 PolarHBondContact O-OG1 3.39Å; H187-H191 AromaticContact CE1-NE2 3.59Å; H187-H191 AromaticContact NE2-CD2 3.89Å; H187-H191 AromaticContact NE2-NE2 3.18Å; H187-H191 PolarHBondContact NE2-NE2 3.41Å; H187-H191 VanDerWaalsContact NE2-NE2 3.18Å
188E90.2Very high89.4Confident39 Ų3969 Ų6918%0.18235%0.348CS..Hα-helixtrans-62.1-33.5177.7-74.7-179.3152.900112F173 L184 L185 T190 H191 T192F173-E188 HydrophobicContact CD2-CG 4.41Å; F173-E188 HydrophobicContact CE2-CG 4.43Å; L184-E188 HydrophobicContact CD1-CG 3.84Å; L184-E188 HydrophobicContact CG-CG 4.31Å; L184-E188 WeakPolarHBondContact O-CG 3.43Å; L184-E188 PolarHBondContact O-N 2.99Å; L185-E188 PolarHBondContact O-N 2.91Å; E188-T190 PolarHBondContact O-N 3.27Å; E188-H191 PolarHBondContact O-N 3.49Å; E188-T192 PolarHBondContact O-N 2.9Å
189R90.8Very high89.4Confident38 Ų3867.1 Ų67.114%0.14334%0.34CS..Hα-helixtrans-58.2-16.2169.5-64.4178.2-178.6163.51.7114L185 I186 H187 H191 T192 D193 E194 R207L185-R189 PolarHBondContact O-N 3.2Å; I186-R189 WeakPolarHBondContact O-CB 3.46Å; H187-R189 PolarHBondContact O-N 3.5Å; R189-H191 VanDerWaalsContact C-N 3.32Å; R189-T192 WeakPolarHBondContact CA-OG1 3.19Å; R189-D193 PolarHBondContact O-N 3.25Å; R189-E194 HydrophobicContact CG-CB 4.25Å; R189-R207 HydrophobicContact CB-CB 4.42Å; R189-R207 PolarHBondContact NH1-O 3.21Å; R189-R207 WeakPolarHBondContact O-CD 3.33Å; R189-R207 PolarHBondContact O-NE 3.09Å; R189-R207 VanDerWaalsContact O-NE 3.12Å
190T89.3Confident89.4Confident53 Ų5368 Ų6833%0.32534%0.342SS..Hα-helixtrans-76.8-20.7174.172.70000113.7H187 E188 R207H187-T190 WeakPolarHBondContact O-CA 3.44Å; H187-T190 VanDerWaalsContact O-CB 3.22Å; H187-T190 WeakPolarHBondContact O-CB 3.31Å; H187-T190 WeakPolarHBondContact O-CG2 3.46Å; H187-T190 PolarHBondContact O-N 2.91Å; H187-T190 PolarHBondContact O-OG1 3.39Å; E188-T190 PolarHBondContact O-N 3.27Å; T190-R207 PolarHBondContact O-NH2 3.32Å
191H88.3Confident89.3Confident74 Ų7468.5 Ų68.534%0.34335%0.348SS..Hα-helixtrans-95.1-37.4175.6-61.4-74.2000111.9F173 H187 E188 R189 D193F173-H191 HydrophobicContact CB-CB 4.17Å; F173-H191 HydrophobicContact CD1-CB 4.24Å; F173-H191 HydrophobicContact CD2-CB 3.73Å; F173-H191 AromaticContact CD2-CD2 3.69Å; F173-H191 AromaticContact CD2-CG 3.8Å; F173-H191 HydrophobicContact CE2-CB 4.14Å; F173-H191 HydrophobicContact CG-CB 3.78Å; F173-H191 AromaticContact CG-CD2 3.92Å; F173-H191 AromaticContact CG-CG 3.72Å; H187-H191 AromaticContact CE1-NE2 3.59Å; H187-H191 AromaticContact NE2-CD2 3.89Å; H187-H191 AromaticContact NE2-NE2 3.18Å; H187-H191 PolarHBondContact NE2-NE2 3.41Å; H187-H191 VanDerWaalsContact NE2-NE2 3.18Å; E188-H191 PolarHBondContact O-N 3.49Å; R189-H191 VanDerWaalsContact C-N 3.32Å; H191-D193 VanDerWaalsContact C-N 3.33Å
192T86.7Confident89.2Confident62 Ų6267.2 Ų67.238%0.3834%0.338SS..Hα-helixtrans-85.9-5.1-178.761.30000114F173 E188 R189 E194F173-T192 HydrophobicContact CE2-CG2 4.35Å; F173-T192 HydrophobicContact CZ-CG2 4.15Å; E188-T192 PolarHBondContact O-N 2.9Å; R189-T192 WeakPolarHBondContact CA-OG1 3.19Å; T192-E194 PolarHBondContact O-N 2.71Å; T192-E194 WeakPolarHBondContact OG1-CG 3.47Å
193D85.4Confident89.2Confident95 Ų9568.7 Ų68.751%0.50835%0.349SS..  trans5613.9-174.9-88.4-48.2000115.9R189 H191 R195 R207R189-D193 PolarHBondContact O-N 3.25Å; H191-D193 VanDerWaalsContact C-N 3.33Å; D193-R195 PolarHBondContact O-N 2.81Å; D193-R207 IonicContact OD1-CZ 2.64Å; D193-R207 IonicContact OD1-NH2 3.51Å; D193-R207 PolarHBondContact OD1-NH2 3.13Å
194E86.9Confident89.1Confident113 Ų11371.8 Ų71.853%0.52836%0.36SS..  trans-63.3123.4177.2-74.7176.5-165.700112R189 T192 P196 R207R189-E194 HydrophobicContact CG-CB 4.25Å; T192-E194 PolarHBondContact O-N 2.71Å; T192-E194 WeakPolarHBondContact OG1-CG 3.47Å; E194-P196 WeakPolarHBondContact O-CD 3.5Å; E194-R207 WeakPolarHBondContact O-CG 3.44Å
195R88.9Confident89Confident125 Ų12572.1 Ų72.147%0.47237%0.365SS..  trans-124.977.1-179.8-68.2169-178.1-149.310.9110.4D193 Y197 A205 F206 R207D193-R195 PolarHBondContact O-N 2.81Å; R195-Y197 PolarHBondContact O-N 2.92Å; R195-A205 HydrophobicContact CB-CB 3.47Å; R195-A205 VanDerWaalsContact CB-CB 3.47Å; R195-A205 WeakPolarHBondContact CD-O 3.45Å; R195-A205 HydrophobicContact CG-CB 4.34Å; R195-A205 PolarHBondContact NH1-O 2.65Å; R195-F206 CarbonylContact C-O 3.59Å; R195-F206 WeakPolarHBondContact CA-O 3.48Å; R195-R207 HydrophobicContact CG-CG 3.83Å
196P88.6Confident88.9Confident72 Ų7269.6 Ų69.647%0.46835%0.351SS..  trans-71.5-10.7-172.727-33.7000114.2E194E194-P196 WeakPolarHBondContact O-CD 3.5Å
197Y91.3Very high88.8Confident68 Ų6870.7 Ų70.727%0.26735%0.352SS..EExtended strand (participates in β ladder)trans-109103.8-176.2-54.1-74.8000110.5R195 A205 F206 Q209R195-Y197 PolarHBondContact O-N 2.92Å; Y197-A205 CarbonylContact O-C 3.58Å; Y197-A205 WeakPolarHBondContact O-CA 3.42Å; Y197-F206 PolarHBondContact N-O 3.11Å; Y197-F206 VanDerWaalsContact N-O 3.15Å; Y197-F206 PolarHBondContact O-N 3.4Å; Y197-Q209 HydrophobicContact CD1-CB 3.91Å; Y197-Q209 HydrophobicContact CD1-CG 4.24Å; Y197-Q209 HydrophobicContact CD2-CB 4.45Å; Y197-Q209 HydrophobicContact CE1-CB 3.69Å; Y197-Q209 HydrophobicContact CE1-CG 4.18Å; Y197-Q209 HydrophobicContact CE2-CB 4.23Å; Y197-Q209 HydrophobicContact CG-CB 4.29Å
198T90.9Very high88.7Confident74 Ų7473.7 Ų73.745%0.45436%0.363SS..EExtended strand (participates in β ladder)trans-97.1145.5178.148.20000111.3K204 A205 L212T198-K204 CarbonylContact C-O 3.51Å; T198-K204 WeakPolarHBondContact CA-O 3.39Å; T198-A205 HydrophobicContact CG2-CB 3.89Å; T198-L212 VanDerWaalsContact O-CD2 3.29Å; T198-L212 WeakPolarHBondContact O-CD2 3.34Å
199C90.6Very high88.6Confident0 Ų078 Ų780%038%0.383CS..  trans-80.1129.7171.9-172.10000110.1I201 H203 K204 F206 L212 H215C199-I201 PolarHBondContact O-N 3.01Å; C199-H203 WeakPolarHBondContact O-CA 3.21Å; C199-H203 PolarHBondContact O-N 3.37Å; C199-K204 PolarHBondContact N-O 3.47Å; C199-F206 HydrophobicContact CB-CE2 4.38Å; C199-L212 HydrophobicContact CB-CD1 3.68Å; C199-H215 VanDerWaalsContact SG-CD2 3.58Å
200D89.6Confident88.4Confident106 Ų10678.6 Ų78.657%0.56739%0.389SS*.THydrogen-bonded Turntrans-72.5-15.7-178.5-48.6-53.9000112.6R216D200-R216 IonicContact OD2-CZ 2.63Å; D200-R216 IonicContact OD2-NH2 3.4Å; D200-R216 PolarHBondContact OD2-NH2 3.36Å
201I87.1Confident88.3Confident108 Ų10879.8 Ų79.855%0.55439%0.391SS*.THydrogen-bonded Turntrans-95-46.2-174.7-57.7172.4000111.5C199 H219C199-I201 PolarHBondContact O-N 3.01Å; I201-H219 HydrophobicContact CD1-CB 3.44Å; I201-H219 VanDerWaalsContact CD1-CB 3.44Å; I201-H219 HydrophobicContact CG2-CB 4.33Å
202C88.5Confident88.3Confident42 Ų4277 Ų7728%0.28438%0.378SS..THydrogen-bonded Turntrans-1184.8-17866.90000114K204 H215 H219C202-K204 PolarHBondContact O-N 3.46Å; C202-K204 VanDerWaalsContact SG-CB 3.55Å; C202-H215 PolarHBondContact SG-NE2 3.23Å; C202-H219 PolarHBondContact SG-NE2 3.43Å
203H88.4Confident88.3Confident146 Ų14680.7 Ų80.768%0.67639%0.385SS*.  trans5810.9-179.2-54.1-53.6000115.6C199 A205C199-H203 WeakPolarHBondContact O-CA 3.21Å; C199-H203 PolarHBondContact O-N 3.37Å; H203-A205 PolarHBondContact O-N 3.01Å
204K88.3Confident88.3Confident117 Ų11777.5 Ų77.551%0.50937%0.368SS..  trans-66.6129.3176.3-165.1174.2-170.7-174.10110.7T198 C199 C202 F206T198-K204 CarbonylContact C-O 3.51Å; T198-K204 WeakPolarHBondContact CA-O 3.39Å; C199-K204 PolarHBondContact N-O 3.47Å; C202-K204 PolarHBondContact O-N 3.46Å; C202-K204 VanDerWaalsContact SG-CB 3.55Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 4.31Å; K204-F206 HydrophobicContact CD-CE2 4.47Å; K204-F206 HydrophobicContact CD-CZ 3.9Å; K204-F206 HydrophobicContact CG-CE2 4.14Å; K204-F206 HydrophobicContact CG-CZ 4.04Å; K204-F206 WeakPolarHBondContact O-CD2 3.43Å; K204-F206 VanDerWaalsContact O-CE2 3.31Å; K204-F206 WeakPolarHBondContact O-CE2 3.41Å
205A88.9Confident88.2Confident27 Ų2773 Ų7322%0.22335%0.347CS..EExtended strand (participates in β ladder)trans-95.8139.8-177.900000112.4R195 Y197 T198 H203R195-A205 HydrophobicContact CB-CB 3.47Å; R195-A205 VanDerWaalsContact CB-CB 3.47Å; R195-A205 WeakPolarHBondContact CD-O 3.45Å; R195-A205 HydrophobicContact CG-CB 4.34Å; R195-A205 PolarHBondContact NH1-O 2.65Å; Y197-A205 CarbonylContact O-C 3.58Å; Y197-A205 WeakPolarHBondContact O-CA 3.42Å; T198-A205 HydrophobicContact CG2-CB 3.89Å; H203-A205 PolarHBondContact O-N 3.01Å
206F87.8Confident88Confident33 Ų3372.3 Ų72.315%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-126.7147.7-177.5-61.2-89.9000111.2R195 Y197 C199 K204 R208 H211 L212 H215R195-F206 CarbonylContact C-O 3.59Å; R195-F206 WeakPolarHBondContact CA-O 3.48Å; Y197-F206 PolarHBondContact N-O 3.11Å; Y197-F206 VanDerWaalsContact N-O 3.15Å; Y197-F206 PolarHBondContact O-N 3.4Å; C199-F206 HydrophobicContact CB-CE2 4.38Å; K204-F206 HydrophobicContact CB-CE2 4.05Å; K204-F206 HydrophobicContact CB-CZ 4.31Å; K204-F206 HydrophobicContact CD-CE2 4.47Å; K204-F206 HydrophobicContact CD-CZ 3.9Å; K204-F206 HydrophobicContact CG-CE2 4.14Å; K204-F206 HydrophobicContact CG-CZ 4.04Å; K204-F206 WeakPolarHBondContact O-CD2 3.43Å; K204-F206 VanDerWaalsContact O-CE2 3.31Å; K204-F206 WeakPolarHBondContact O-CE2 3.41Å; F206-R208 VanDerWaalsContact C-N 3.31Å; F206-H211 HydrophobicContact CD1-CB 4.05Å; F206-L212 HydrophobicContact CB-CB 4.41Å; F206-L212 HydrophobicContact CD2-CB 3.99Å; F206-L212 HydrophobicContact CD2-CD1 3.85Å; F206-L212 HydrophobicContact CE2-CD1 3.97Å; F206-L212 HydrophobicContact CG-CB 4.33Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 4.07Å; F206-H215 AromaticContact CE2-CD2 3.42Å; F206-H215 VanDerWaalsContact CE2-CD2 3.42Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.47Å; F206-H215 AromaticContact CE2-CG 3.73Å; F206-H215 AromaticContact CE2-NE2 3.98Å; F206-H215 HydrophobicContact CZ-CB 3.55Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.3Å; F206-H215 AromaticContact CZ-CG 3.25Å; F206-H215 AromaticContact CZ-ND1 3.68Å; F206-H215 AromaticContact CZ-NE2 3.91Å
207R88.5Confident87.7Confident69 Ų6971.4 Ų71.426%0.2633%0.332SS..SBendtrans-76.3-19.3177-59.4-175.6178.1153.6-8.6113.2R189 T190 D193 E194 R195R189-R207 HydrophobicContact CB-CB 4.42Å; R189-R207 PolarHBondContact NH1-O 3.21Å; R189-R207 WeakPolarHBondContact O-CD 3.33Å; R189-R207 PolarHBondContact O-NE 3.09Å; R189-R207 VanDerWaalsContact O-NE 3.12Å; T190-R207 PolarHBondContact O-NH2 3.32Å; D193-R207 IonicContact OD1-CZ 2.64Å; D193-R207 IonicContact OD1-NH2 3.51Å; D193-R207 PolarHBondContact OD1-NH2 3.13Å; E194-R207 WeakPolarHBondContact O-CG 3.44Å; R195-R207 HydrophobicContact CG-CG 3.83Å
208R87.9Confident87.2Confident87 Ų8769.5 Ų69.533%0.32833%0.326SS..SBendtrans-136145.3-176-59.3167.949.2166.49.1112.3I186 F206 D210 H211 L212I186-R208 HydrophobicContact CD1-CG 4.49Å; I186-R208 HydrophobicContact CG2-CG 3.55Å; F206-R208 VanDerWaalsContact C-N 3.31Å; R208-D210 WeakPolarHBondContact CB-OD1 3.49Å; R208-D210 IonicContact CZ-OD1 3.54Å; R208-D210 IonicContact CZ-OD2 3.56Å; R208-D210 IonicContact NE-OD1 3.82Å; R208-D210 PolarHBondContact NE-OD1 2.86Å; R208-D210 IonicContact NE-OD2 2.91Å; R208-D210 IonicContact NH2-OD1 2.77Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.48Å; R208-D210 PolarHBondContact NH2-OD2 3.15Å; R208-H211 HydrophobicContact CB-CB 4.49Å; R208-H211 VanDerWaalsContact CD-NE2 3.31Å; R208-H211 WeakPolarHBondContact CD-NE2 3.48Å; R208-H211 PolarHBondContact NE-NE2 3.45Å; R208-H211 PolarHBondContact NH1-NE2 2.99Å; R208-H211 PolarHBondContact O-N 2.91Å; R208-L212 PolarHBondContact O-N 3.29Å
209Q88.7Confident86.7Confident129 Ų12968.3 Ų68.360%0.60332%0.315SS*.Hα-helixtrans-69.9-37-178.3-172.1177.5-4.100113Y197 H211 L212 R213Y197-Q209 HydrophobicContact CD1-CB 3.91Å; Y197-Q209 HydrophobicContact CD1-CG 4.24Å; Y197-Q209 HydrophobicContact CD2-CB 4.45Å; Y197-Q209 HydrophobicContact CE1-CB 3.69Å; Y197-Q209 HydrophobicContact CE1-CG 4.18Å; Y197-Q209 HydrophobicContact CE2-CB 4.23Å; Y197-Q209 HydrophobicContact CG-CB 4.29Å; Q209-H211 VanDerWaalsContact C-N 3.29Å; Q209-H211 PolarHBondContact O-N 2.99Å; Q209-L212 PolarHBondContact O-N 3.19Å; Q209-R213 PolarHBondContact O-N 3.26Å
210D86.1Confident86Confident51 Ų5171 Ų7127%0.27333%0.334SS..Hα-helixtrans-64.3-36.8177.659.9-40.5000111.5R208 R213 D214R208-D210 WeakPolarHBondContact CB-OD1 3.49Å; R208-D210 IonicContact CZ-OD1 3.54Å; R208-D210 IonicContact CZ-OD2 3.56Å; R208-D210 IonicContact NE-OD1 3.82Å; R208-D210 PolarHBondContact NE-OD1 2.86Å; R208-D210 IonicContact NE-OD2 2.91Å; R208-D210 IonicContact NH2-OD1 2.77Å; R208-D210 PolarHBondContact NH2-OD1 3.29Å; R208-D210 IonicContact NH2-OD2 3.48Å; R208-D210 PolarHBondContact NH2-OD2 3.15Å; D210-R213 PolarHBondContact O-N 3.4Å; D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.4Å
211H86.4Confident85.3Confident78 Ų7873.9 Ų73.936%0.36134%0.341SS..Hα-helixtrans-66-38.8172.8-63.4-26.6000113F206 R208 Q209 D214 H215F206-H211 HydrophobicContact CD1-CB 4.05Å; R208-H211 HydrophobicContact CB-CB 4.49Å; R208-H211 VanDerWaalsContact CD-NE2 3.31Å; R208-H211 WeakPolarHBondContact CD-NE2 3.48Å; R208-H211 PolarHBondContact NE-NE2 3.45Å; R208-H211 PolarHBondContact NH1-NE2 2.99Å; R208-H211 PolarHBondContact O-N 2.91Å; Q209-H211 VanDerWaalsContact C-N 3.29Å; Q209-H211 PolarHBondContact O-N 2.99Å; H211-D214 PolarHBondContact O-N 3.32Å; H211-H215 WeakPolarHBondContact O-CB 3.47Å; H211-H215 PolarHBondContact O-N 3.22Å
212L88.8Confident84.7Confident14 Ų1474.7 Ų74.77%0.07334%0.343CS..Hα-helixtrans-63.3-44.4172.8171.362.1000111.2T198 C199 F206 R208 Q209 D214 H215 R216T198-L212 VanDerWaalsContact O-CD2 3.29Å; T198-L212 WeakPolarHBondContact O-CD2 3.34Å; C199-L212 HydrophobicContact CB-CD1 3.68Å; F206-L212 HydrophobicContact CB-CB 4.41Å; F206-L212 HydrophobicContact CD2-CB 3.99Å; F206-L212 HydrophobicContact CD2-CD1 3.85Å; F206-L212 HydrophobicContact CE2-CD1 3.97Å; F206-L212 HydrophobicContact CG-CB 4.33Å; R208-L212 PolarHBondContact O-N 3.29Å; Q209-L212 PolarHBondContact O-N 3.19Å; L212-D214 PolarHBondContact O-N 3.29Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.45Å; L212-R216 PolarHBondContact O-N 2.63Å
213R87.2Confident84.2Confident140 Ų14076.3 Ų76.353%0.52835%0.345SS..Hα-helixtrans-59.3-48.5176.8-178.9-173.564.2-164.8-3.3111Q209 D210 H215 R216Q209-R213 PolarHBondContact O-N 3.26Å; D210-R213 PolarHBondContact O-N 3.4Å; R213-H215 VanDerWaalsContact C-N 3.26Å; R213-H215 PolarHBondContact O-N 3.12Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 3.46Å; R213-R216 VanDerWaalsContact O-N 3.15Å
214D84.1Confident83.8Confident28 Ų2872.7 Ų72.715%0.1534%0.335CS..Hα-helixtrans-65.3-34.2-179.6-65-6.3000111.3D210 H211 L212 Y217 Q236D210-D214 WeakPolarHBondContact O-CB 3.39Å; D210-D214 PolarHBondContact O-N 3.4Å; H211-D214 PolarHBondContact O-N 3.32Å; L212-D214 PolarHBondContact O-N 3.29Å; D214-Y217 WeakPolarHBondContact O-CD2 3.31Å; D214-Y217 PolarHBondContact O-N 3.44Å; D214-Q236 HydrophobicContact CB-CG 4.27Å
215H85.3Confident83.5Confident19 Ų1970.4 Ų70.49%0.08833%0.325CS..Hα-helixtrans-66.3-33.9174.1169.270.7000113C199 C202 F206 H211 L212 R213 Y217 I218 H219C199-H215 VanDerWaalsContact SG-CD2 3.58Å; C202-H215 PolarHBondContact SG-NE2 3.23Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 4.07Å; F206-H215 AromaticContact CE2-CD2 3.42Å; F206-H215 VanDerWaalsContact CE2-CD2 3.42Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.47Å; F206-H215 AromaticContact CE2-CG 3.73Å; F206-H215 AromaticContact CE2-NE2 3.98Å; F206-H215 HydrophobicContact CZ-CB 3.55Å; F206-H215 AromaticContact CZ-CD2 3.43Å; F206-H215 VanDerWaalsContact CZ-CD2 3.43Å; F206-H215 WeakPolarHBondContact CZ-CD2 3.3Å; F206-H215 AromaticContact CZ-CG 3.25Å; F206-H215 AromaticContact CZ-ND1 3.68Å; F206-H215 AromaticContact CZ-NE2 3.91Å; H211-H215 WeakPolarHBondContact O-CB 3.47Å; H211-H215 PolarHBondContact O-N 3.22Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.45Å; R213-H215 VanDerWaalsContact C-N 3.26Å; R213-H215 PolarHBondContact O-N 3.12Å; H215-Y217 PolarHBondContact O-N 3.36Å; H215-I218 VanDerWaalsContact O-CB 3.25Å; H215-I218 WeakPolarHBondContact O-CB 3.35Å; H215-I218 VanDerWaalsContact O-CG1 3.29Å; H215-I218 WeakPolarHBondContact O-CG1 2.99Å; H215-I218 PolarHBondContact O-N 3.03Å; H215-H219 AromaticContact CE1-NE2 3.69Å; H215-H219 AromaticContact NE2-CD2 3.88Å; H215-H219 AromaticContact NE2-NE2 3.27Å; H215-H219 PolarHBondContact NE2-NE2 3.47Å
216R84.8Confident83.2Confident111 Ų11176 Ų7642%0.41934%0.344SS..Hα-helixtrans-61-27.6177.1-76.3179.9175.5170.7-1.8113D200 L212 R213 I218 H219 S220D200-R216 IonicContact OD2-CZ 2.63Å; D200-R216 IonicContact OD2-NH2 3.4Å; D200-R216 PolarHBondContact OD2-NH2 3.36Å; L212-R216 PolarHBondContact O-N 2.63Å; R213-R216 WeakPolarHBondContact O-CB 3.37Å; R213-R216 PolarHBondContact O-N 3.46Å; R213-R216 VanDerWaalsContact O-N 3.15Å; R216-I218 PolarHBondContact O-N 3.23Å; R216-H219 PolarHBondContact O-N 2.9Å; R216-S220 PolarHBondContact O-N 3.28Å
217Y82.9Confident83.1Confident53 Ų5374.6 Ų74.621%0.20834%0.338CS..Hα-helixtrans-63.4-22.9174.5-61.3-55.7000113.5D214 H215 H219 K221 P224 C235D214-Y217 WeakPolarHBondContact O-CD2 3.31Å; D214-Y217 PolarHBondContact O-N 3.44Å; H215-Y217 PolarHBondContact O-N 3.36Å; Y217-H219 VanDerWaalsContact C-N 3.3Å; Y217-K221 WeakPolarHBondContact O-CA 3.1Å; Y217-K221 PolarHBondContact O-N 2.93Å; Y217-P224 HydrophobicContact CD1-CG 4.38Å; Y217-P224 HydrophobicContact CE1-CG 4.09Å; Y217-C235 VanDerWaalsContact CB-SG 3.57Å; Y217-C235 HydrophobicContact CD2-CB 4.25Å; Y217-C235 WeakPolarHBondContact CD2-O 3.36Å; Y217-C235 HydrophobicContact CG-CB 4.39Å
218I80.6Confident82.9Confident28 Ų2880.1 Ų80.114%0.14437%0.367CS..Hα-helixtrans-66.4-38.1173.1-52.1178.5000110.1H215 R216 V267H215-I218 VanDerWaalsContact O-CB 3.25Å; H215-I218 WeakPolarHBondContact O-CB 3.35Å; H215-I218 VanDerWaalsContact O-CG1 3.29Å; H215-I218 WeakPolarHBondContact O-CG1 2.99Å; H215-I218 PolarHBondContact O-N 3.03Å; R216-I218 PolarHBondContact O-N 3.23Å; I218-V267 HydrophobicContact CD1-CG1 3.59Å; I218-V267 HydrophobicContact CG1-CG1 4.22Å
219H80.6Confident82.7Confident49 Ų4982 Ų8223%0.22738%0.38CS..Hα-helixtrans-77.8-40.4178.9-65.2-60.3000112.5I201 C202 H215 R216 Y217 K221I201-H219 HydrophobicContact CD1-CB 3.44Å; I201-H219 VanDerWaalsContact CD1-CB 3.44Å; I201-H219 HydrophobicContact CG2-CB 4.33Å; C202-H219 PolarHBondContact SG-NE2 3.43Å; H215-H219 AromaticContact CE1-NE2 3.69Å; H215-H219 AromaticContact NE2-CD2 3.88Å; H215-H219 AromaticContact NE2-NE2 3.27Å; H215-H219 PolarHBondContact NE2-NE2 3.47Å; R216-H219 PolarHBondContact O-N 2.9Å; Y217-H219 VanDerWaalsContact C-N 3.3Å; H219-K221 PolarHBondContact O-N 3.21Å
220S76.4Confident82.4Confident56 Ų5678.2 Ų78.239%0.39237%0.366SS..Hα-helixtrans-75.2-14.9177.968.90000113.1R216 E222R216-S220 PolarHBondContact O-N 3.28Å; S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 WeakPolarHBondContact OG-CB 3.5Å; S220-E222 PolarHBondContact OG-N 2.88Å; S220-E222 PolarHBondContact OG-OE2 3.32Å
221K74.6Confident82.1Confident167 Ų16778.4 Ų78.473%0.72638%0.38SS*.  trans54.812.2-169.8-56.6179.8-179.2-179.80113.1Y217 H219 K223Y217-K221 WeakPolarHBondContact O-CA 3.1Å; Y217-K221 PolarHBondContact O-N 2.93Å; H219-K221 PolarHBondContact O-N 3.21Å; K221-K223 PolarHBondContact O-N 3.35Å
222E73.1Confident81.8Confident125 Ų12578.1 Ų78.158%0.58438%0.378SS*.  trans-75.8125.5178.5-67.5177.9156.800108.6S220 P224S220-E222 PolarHBondContact O-N 3.31Å; S220-E222 WeakPolarHBondContact OG-CB 3.5Å; S220-E222 PolarHBondContact OG-N 2.88Å; S220-E222 PolarHBondContact OG-OE2 3.32Å; E222-P224 VanDerWaalsContact C-CD 3.41Å; E222-P224 WeakPolarHBondContact O-CD 3.48Å
223K78.8Confident81.4Confident76 Ų7678.4 Ų78.433%0.3339%0.385SS..  trans-109.780.3176.5-58-172-169.4-157.30108.3K221 F225 G233 F234 C269 D270K221-K223 PolarHBondContact O-N 3.35Å; K223-F225 PolarHBondContact O-N 2.62Å; K223-G233 WeakPolarHBondContact CD-O 3.31Å; K223-F234 CarbonylContact C-O 3.57Å; K223-C269 WeakPolarHBondContact CE-SG 3.49Å; K223-C269 PolarHBondContact NZ-SG 3.43Å; K223-D270 IonicContact NZ-OD1 3.69Å
224P79.3Confident81.1Confident70 Ų7072.9 Ų72.946%0.45536%0.364SS..  trans-65.6-23.8-173.323.3-32.6000112.8Y217 E222Y217-P224 HydrophobicContact CD1-CG 4.38Å; Y217-P224 HydrophobicContact CE1-CG 4.09Å; E222-P224 VanDerWaalsContact C-CD 3.41Å; E222-P224 WeakPolarHBondContact O-CD 3.48Å
225F82.8Confident80.9Confident68 Ų6871.9 Ų71.930%0.29836%0.359SS..EExtended strand (participates in β ladder)trans-101.5101.2-177.7-55.9-73.2000110.2K223 G233 F234 C235 L240K223-F225 PolarHBondContact O-N 2.62Å; F225-G233 CarbonylContact O-C 3.33Å; F225-G233 WeakPolarHBondContact O-CA 3.38Å; F225-F234 HydrophobicContact CB-CB 4.23Å; F225-F234 WeakPolarHBondContact CB-O 3.47Å; F225-F234 PolarHBondContact N-O 3.27Å; F225-F234 VanDerWaalsContact N-O 3.13Å; F225-F234 PolarHBondContact O-N 3.03Å; F225-C235 WeakPolarHBondContact CE2-O 3.26Å; F225-L240 HydrophobicContact CB-CB 4.23Å; F225-L240 HydrophobicContact CB-CD2 3.87Å
226K83.3Confident80.7Confident145 Ų14573.1 Ų73.163%0.6337%0.365SS*.EExtended strand (participates in β ladder)trans-101.9139.3178.2-62.3-178.2-177179.20111.6K232K226-K232 CarbonylContact C-O 3.51Å; K226-K232 WeakPolarHBondContact CA-O 3.45Å
227C84.4Confident80.7Confident3 Ų371.2 Ų71.22%0.0237%0.369CS..  trans-75.8128.3167.3-172.60000109.2G231 K232 F234 L240 H243C227-G231 WeakPolarHBondContact O-CA 3.37Å; C227-G231 PolarHBondContact O-N 3.05Å; C227-K232 PolarHBondContact N-O 3.34Å; C227-F234 HydrophobicContact CB-CE2 4.25Å; C227-L240 HydrophobicContact CB-CD1 3.72Å; C227-H243 PolarHBondContact SG-NE2 3.18Å; C227-H243 VanDerWaalsContact SG-NE2 3.4Å
228Q85.1Confident80.7Confident186 Ų18678.3 Ų78.387%0.86940%0.395SS*.THydrogen-bonded Turntrans-76.4-25.8178.2-74.4178.2-19.900112.4
229E83.2Confident80.8Confident127 Ų12778.4 Ų78.459%0.59340%0.397SS*.THydrogen-bonded Turntrans-79.1-36.4-176.6-64.5172.5-169.600112.4H247E229-H247 WeakPolarHBondContact OE2-CB 3.36Å; E229-H247 IonicContact OE2-CD2 2.72Å; E229-H247 PolarHBondContact OE2-CD2 3.36Å; E229-H247 IonicContact OE2-CG 3.46Å; E229-H247 IonicContact OE2-ND1 2.68Å
230C82.4Confident81Confident48 Ų4876.9 Ų76.932%0.32439%0.391SS..THydrogen-bonded Turntrans-124.70.8-17871.60000115K232 H243 H247C230-K232 PolarHBondContact O-N 3.27Å; C230-K232 VanDerWaalsContact O-N 3.09Å; C230-H243 VanDerWaalsContact SG-CE1 3.56Å; C230-H243 PolarHBondContact SG-NE2 2.96Å; C230-H247 PolarHBondContact SG-NE2 3.4Å; C230-H247 VanDerWaalsContact SG-NE2 3.37Å
231G79.8Confident81.5Confident55 Ų5576.8 Ų76.857%0.56739%0.393SS*.  trans71.9-4.117900000115.8C227 G233C227-G231 WeakPolarHBondContact O-CA 3.37Å; C227-G231 PolarHBondContact O-N 3.05Å; G231-G233 PolarHBondContact O-N 3.36Å
232K80.5Confident81.9Confident73 Ų7372 Ų7232%0.31738%0.378SS..  trans-63132-179.9-76.1-179.7173.3178.40111.6K226 C227 C230 F234 E260K226-K232 CarbonylContact C-O 3.51Å; K226-K232 WeakPolarHBondContact CA-O 3.45Å; C227-K232 PolarHBondContact N-O 3.34Å; C230-K232 PolarHBondContact O-N 3.27Å; C230-K232 VanDerWaalsContact O-N 3.09Å; K232-F234 HydrophobicContact CB-CE2 3.9Å; K232-F234 HydrophobicContact CB-CZ 4.05Å; K232-F234 WeakPolarHBondContact O-CE2 3.22Å; K232-E260 IonicContact NZ-OE2 3.08Å; K232-E260 PolarHBondContact NZ-OE2 3.29Å
233G81.4Confident82.5Confident20 Ų2066.2 Ų66.221%0.20635%0.351CS..EExtended strand (participates in β ladder)trans-93.9145175.900000112.8K223 F225 G231K223-G233 WeakPolarHBondContact CD-O 3.31Å; F225-G233 CarbonylContact O-C 3.33Å; F225-G233 WeakPolarHBondContact O-CA 3.38Å; G231-G233 PolarHBondContact O-N 3.36Å
234F80.2Confident82.7Confident23 Ų2366.7 Ų66.710%0.10135%0.353CS..EExtended strand (participates in β ladder)trans-132.7151179.2-57.8-89.8000110.5K223 F225 C227 K232 T239 L240 H243K223-F234 CarbonylContact C-O 3.57Å; F225-F234 HydrophobicContact CB-CB 4.23Å; F225-F234 WeakPolarHBondContact CB-O 3.47Å; F225-F234 PolarHBondContact N-O 3.27Å; F225-F234 VanDerWaalsContact N-O 3.13Å; F225-F234 PolarHBondContact O-N 3.03Å; C227-F234 HydrophobicContact CB-CE2 4.25Å; K232-F234 HydrophobicContact CB-CE2 3.9Å; K232-F234 HydrophobicContact CB-CZ 4.05Å; K232-F234 WeakPolarHBondContact O-CE2 3.22Å; F234-T239 HydrophobicContact CD1-CG2 3.66Å; F234-T239 HydrophobicContact CE1-CG2 4.09Å; F234-L240 HydrophobicContact CB-CB 4.34Å; F234-L240 HydrophobicContact CD2-CB 3.94Å; F234-L240 HydrophobicContact CD2-CD1 3.67Å; F234-L240 HydrophobicContact CD2-CG 4.39Å; F234-L240 HydrophobicContact CE2-CD1 3.77Å; F234-L240 HydrophobicContact CG-CB 4.22Å; F234-H243 HydrophobicContact CE1-CB 4.08Å; F234-H243 HydrophobicContact CE2-CB 4.19Å; F234-H243 AromaticContact CE2-CD2 3.63Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 HydrophobicContact CZ-CB 3.62Å; F234-H243 AromaticContact CZ-CD2 3.6Å; F234-H243 AromaticContact CZ-CE1 3.96Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.57Å; F234-H243 AromaticContact CZ-NE2 3.95Å
235C79.5Confident83Confident7 Ų766.8 Ų66.85%0.04735%0.352CS..SBendtrans-88.8-13.8175.8-69.40000113.6Y217 F225 C269Y217-C235 VanDerWaalsContact CB-SG 3.57Å; Y217-C235 HydrophobicContact CD2-CB 4.25Å; Y217-C235 WeakPolarHBondContact CD2-O 3.36Å; Y217-C235 HydrophobicContact CG-CB 4.39Å; F225-C235 WeakPolarHBondContact CE2-O 3.26Å; C235-C269 HydrophobicContact CB-CB 4.43Å; C235-C269 WeakPolarHBondContact SG-CB 3.41Å
236Q81.3Confident83Confident46 Ų4664.2 Ų64.222%0.21534%0.341CS..  trans-130.4134.8-179.2-64.9177.310.900110.9D214 R238 T239 L240D214-Q236 HydrophobicContact CB-CG 4.27Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.24Å; Q236-T239 PolarHBondContact O-N 3.35Å; Q236-L240 PolarHBondContact O-N 3.45Å
237S84.1Confident82.8Confident70 Ų7058.6 Ų58.649%0.4932%0.317SS..Hα-helixtrans-59.8-37.6176.8173.80000112.6T239 L240 A241S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.29Å; S237-L240 PolarHBondContact O-N 3.44Å; S237-A241 PolarHBondContact O-N 2.82Å
238R83.5Confident82.5Confident203 Ų20366.1 Ų66.177%0.76635%0.354SS*.Hα-helixtrans-61.5-42.7177.8-178.7178.9-69.3169.5-1.3111.8Q236 L240 A241 V242Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.24Å; R238-L240 VanDerWaalsContact C-N 3.35Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.18Å; R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 3.37Å
239T82.2Confident81.9Confident29 Ų2964.3 Ų64.318%0.17835%0.346CS..Hα-helixtrans-65.1-41.2178.8-47.20000110.9F234 Q236 S237 A241 V242 H243 T266F234-T239 HydrophobicContact CD1-CG2 3.66Å; F234-T239 HydrophobicContact CE1-CG2 4.09Å; Q236-T239 PolarHBondContact O-N 3.35Å; S237-T239 VanDerWaalsContact C-N 3.34Å; S237-T239 PolarHBondContact O-N 3.29Å; T239-A241 VanDerWaalsContact C-N 3.34Å; T239-A241 PolarHBondContact O-N 2.91Å; T239-V242 PolarHBondContact O-N 2.89Å; T239-H243 VanDerWaalsContact O-CB 3.3Å; T239-H243 WeakPolarHBondContact O-CB 3.49Å; T239-H243 PolarHBondContact O-N 3.02Å; T239-T266 HydrophobicContact CG2-CG2 4.23Å
240L84.9Confident81Confident18 Ų1860.4 Ų60.49%0.09433%0.33CS..Hα-helixtrans-60.7-42.1172174.264.2000111.9F225 C227 F234 Q236 S237 R238 H243 K244F225-L240 HydrophobicContact CB-CB 4.23Å; F225-L240 HydrophobicContact CB-CD2 3.87Å; C227-L240 HydrophobicContact CB-CD1 3.72Å; F234-L240 HydrophobicContact CB-CB 4.34Å; F234-L240 HydrophobicContact CD2-CB 3.94Å; F234-L240 HydrophobicContact CD2-CD1 3.67Å; F234-L240 HydrophobicContact CD2-CG 4.39Å; F234-L240 HydrophobicContact CE2-CD1 3.77Å; F234-L240 HydrophobicContact CG-CB 4.22Å; Q236-L240 PolarHBondContact O-N 3.45Å; S237-L240 PolarHBondContact O-N 3.44Å; R238-L240 VanDerWaalsContact C-N 3.35Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 2.64Å; L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.19Å; L240-K244 HydrophobicContact CG-CD 4.41Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.48Å
241A86.6Confident80Confident53 Ų5364.1 Ų64.144%0.43836%0.357SS..Hα-helixtrans-62.4-45.8179.700000111.8S237 R238 T239 K244 T245S237-A241 PolarHBondContact O-N 2.82Å; R238-A241 WeakPolarHBondContact O-CB 3.43Å; R238-A241 PolarHBondContact O-N 3.18Å; T239-A241 VanDerWaalsContact C-N 3.34Å; T239-A241 PolarHBondContact O-N 2.91Å; A241-K244 PolarHBondContact O-N 3.25Å; A241-T245 PolarHBondContact O-N 3.17Å
242V84.7Confident79.3Confident68 Ų6863.7 Ų63.741%0.41235%0.345SS..Hα-helixtrans-62.2-45174.8176.10000110.5R238 T239 K244 T245 L246R238-V242 WeakPolarHBondContact O-CG2 3.46Å; R238-V242 PolarHBondContact O-N 3.37Å; T239-V242 PolarHBondContact O-N 2.89Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.39Å; V242-T245 PolarHBondContact O-N 3Å; V242-T245 PolarHBondContact O-OG1 2.86Å; V242-L246 PolarHBondContact O-N 3.32Å
243H83.9Confident78.5Confident3 Ų364.6 Ų64.61%0.01436%0.359CS..Hα-helixtrans-56.7-43.5176.116980.3000112.8C227 C230 F234 T239 L240 T245 L246 H247 E260C227-H243 PolarHBondContact SG-NE2 3.18Å; C227-H243 VanDerWaalsContact SG-NE2 3.4Å; C230-H243 VanDerWaalsContact SG-CE1 3.56Å; C230-H243 PolarHBondContact SG-NE2 2.96Å; F234-H243 HydrophobicContact CE1-CB 4.08Å; F234-H243 HydrophobicContact CE2-CB 4.19Å; F234-H243 AromaticContact CE2-CD2 3.63Å; F234-H243 AromaticContact CE2-CG 3.82Å; F234-H243 HydrophobicContact CZ-CB 3.62Å; F234-H243 AromaticContact CZ-CD2 3.6Å; F234-H243 AromaticContact CZ-CE1 3.96Å; F234-H243 AromaticContact CZ-CG 3.31Å; F234-H243 AromaticContact CZ-ND1 3.57Å; F234-H243 AromaticContact CZ-NE2 3.95Å; T239-H243 VanDerWaalsContact O-CB 3.3Å; T239-H243 WeakPolarHBondContact O-CB 3.49Å; T239-H243 PolarHBondContact O-N 3.02Å; L240-H243 WeakPolarHBondContact O-CB 3.27Å; L240-H243 PolarHBondContact O-N 2.64Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 2.92Å; H243-L246 WeakPolarHBondContact O-CB 3.41Å; H243-L246 PolarHBondContact O-N 3.45Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.9Å; H243-H247 AromaticContact CE1-CD2 3.92Å; H243-H247 AromaticContact CE1-NE2 3.36Å; H243-H247 PolarHBondContact CE1-NE2 2.58Å; H243-H247 AromaticContact NE2-CD2 3.47Å; H243-H247 PolarHBondContact NE2-CD2 3.38Å; H243-H247 AromaticContact NE2-NE2 3.01Å; H243-H247 PolarHBondContact NE2-NE2 3.05Å; H243-H247 PolarHBondContact O-N 3.01Å; H243-E260 IonicContact CE1-OE1 3.68Å; H243-E260 PolarHBondContact CE1-OE1 3.18Å; H243-E260 IonicContact CG-OE1 3.67Å; H243-E260 IonicContact ND1-OE1 3.33Å; H243-E260 PolarHBondContact ND1-OE1 2.83Å
244K84.8Confident77.6Confident86 Ų8669 Ų6937%0.37438%0.381SS..Hα-helixtrans-61.3-35.2175.3-74.1-177.8177-165.60112.7L240 A241 V242 L246 H247 M248L240-K244 HydrophobicContact CD1-CD 4.48Å; L240-K244 HydrophobicContact CD1-CG 4.19Å; L240-K244 HydrophobicContact CG-CD 4.41Å; L240-K244 HydrophobicContact CG-CG 4.49Å; L240-K244 WeakPolarHBondContact O-CG 3.38Å; L240-K244 PolarHBondContact O-N 3.48Å; A241-K244 PolarHBondContact O-N 3.25Å; V242-K244 VanDerWaalsContact C-N 3.32Å; V242-K244 PolarHBondContact O-N 3.39Å; K244-L246 PolarHBondContact O-N 2.79Å; K244-H247 PolarHBondContact O-N 2.99Å; K244-M248 PolarHBondContact O-N 3.26Å
245T85.1Confident76.8Confident71 Ų7169.7 Ų69.744%0.43639%0.392SS..Hα-helixtrans-66.2-27.7175.1630000112.7A241 V242 H243 M248 Q249A241-T245 PolarHBondContact O-N 3.17Å; V242-T245 PolarHBondContact O-N 3Å; V242-T245 PolarHBondContact O-OG1 2.86Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 2.92Å; T245-M248 PolarHBondContact O-N 3.43Å; T245-Q249 WeakPolarHBondContact O-CG 3.46Å; T245-Q249 PolarHBondContact O-N 3.11Å
246L81.5Confident76.1Confident14 Ų1469.4 Ų69.47%0.07339%0.39CS..Hα-helixtrans-72.3-31.4176-61.2175.2000112.4V242 H243 K244 M248 Q249 T250 V256 A259 E260V242-L246 PolarHBondContact O-N 3.32Å; H243-L246 WeakPolarHBondContact O-CB 3.41Å; H243-L246 PolarHBondContact O-N 3.45Å; K244-L246 PolarHBondContact O-N 2.79Å; L246-M248 VanDerWaalsContact C-N 3.25Å; L246-M248 PolarHBondContact O-N 3.46Å; L246-Q249 PolarHBondContact O-N 2.96Å; L246-T250 PolarHBondContact O-N 3.09Å; L246-T250 PolarHBondContact O-OG1 3.28Å; L246-V256 HydrophobicContact CB-CG1 4.05Å; L246-V256 HydrophobicContact CB-CG2 4.39Å; L246-V256 HydrophobicContact CD1-CG1 4.5Å; L246-A259 HydrophobicContact CD1-CB 4.29Å; L246-A259 HydrophobicContact CD2-CB 4.43Å; L246-E260 HydrophobicContact CD1-CG 4.12Å
247H79Confident75.3Confident27 Ų2768.8 Ų68.813%0.12539%0.393CS..Hα-helixtrans-63.6-33.6171.3-79.7-65.7000112.5E229 C230 H243 K244 T250E229-H247 WeakPolarHBondContact OE2-CB 3.36Å; E229-H247 IonicContact OE2-CD2 2.72Å; E229-H247 PolarHBondContact OE2-CD2 3.36Å; E229-H247 IonicContact OE2-CG 3.46Å; E229-H247 IonicContact OE2-ND1 2.68Å; C230-H247 PolarHBondContact SG-NE2 3.4Å; C230-H247 VanDerWaalsContact SG-NE2 3.37Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.9Å; H243-H247 AromaticContact CE1-CD2 3.92Å; H243-H247 AromaticContact CE1-NE2 3.36Å; H243-H247 PolarHBondContact CE1-NE2 2.58Å; H243-H247 AromaticContact NE2-CD2 3.47Å; H243-H247 PolarHBondContact NE2-CD2 3.38Å; H243-H247 AromaticContact NE2-NE2 3.01Å; H243-H247 PolarHBondContact NE2-NE2 3.05Å; H243-H247 PolarHBondContact O-N 3.01Å; K244-H247 PolarHBondContact O-N 2.99Å; H247-T250 CarbonylContact C-O 3.51Å; H247-T250 CarbonylContact O-C 3.49Å; H247-T250 VanDerWaalsContact O-O 3.05Å
248M78.3Confident74.1Confident162 Ų16268.2 Ų68.280%0.79839%0.392SS*.Hα-helixtrans-73.9-30.6175.7-55.1-121.898.800112.2K244 T245 L246K244-M248 PolarHBondContact O-N 3.26Å; T245-M248 PolarHBondContact O-N 3.43Å; L246-M248 VanDerWaalsContact C-N 3.25Å; L246-M248 PolarHBondContact O-N 3.46Å
249Q72.3Confident73Confident147 Ų14759.9 Ų59.969%0.68737%0.367SS*.Hα-helixtrans-87.7-24.7-178.8-69.4175.5-2.900113.2T245 L246T245-Q249 WeakPolarHBondContact O-CG 3.46Å; T245-Q249 PolarHBondContact O-N 3.11Å; L246-Q249 PolarHBondContact O-N 2.96Å
250T64.9Low71.9Confident45 Ų4560.9 Ų60.928%0.27637%0.369SS..  trans-140113.9178.558.70000108.7L246 H247 S252 A255 V256L246-T250 PolarHBondContact O-N 3.09Å; L246-T250 PolarHBondContact O-OG1 3.28Å; H247-T250 CarbonylContact C-O 3.51Å; H247-T250 CarbonylContact O-C 3.49Å; H247-T250 VanDerWaalsContact O-O 3.05Å; T250-S252 PolarHBondContact O-N 3.22Å; T250-A255 HydrophobicContact CG2-CB 4.31Å; T250-V256 WeakPolarHBondContact OG1-CG2 3.45Å
251S61.9Low70.5Confident126 Ų12670.1 Ų70.188%0.88140%0.403SS*.  trans-74.6-5.8179.850.90000113.6
252S63.8Low68.6Low46 Ų4673.1 Ų73.132%0.32242%0.42SS..  trans-97.8123.2-178.2178.20000112T250 T254 A255 V256T250-S252 PolarHBondContact O-N 3.22Å; S252-T254 PolarHBondContact O-N 3.47Å; S252-T254 PolarHBondContact OG-OG1 2.75Å; S252-A255 PolarHBondContact O-N 3.32Å; S252-A255 VanDerWaalsContact O-N 3.09Å; S252-V256 PolarHBondContact O-N 2.85Å
253P64.9Low67Low93 Ų9377 Ų7760%0.60443%0.431SS*.Hα-helixtrans-58-31.2177.8-23.131.9000114A257P253-A257 PolarHBondContact O-N 3.43Å
254T62.6Low65.1Low111 Ų11179.3 Ų79.368%0.68146%0.456SS*.Hα-helixtrans-74.1-33.6177.9360000112.4S252 A257 A258S252-T254 PolarHBondContact O-N 3.47Å; S252-T254 PolarHBondContact OG-OG1 2.75Å; T254-A257 PolarHBondContact O-N 2.9Å; T254-A258 PolarHBondContact O-N 3.22Å
255A62.8Low62.8Low38 Ų3880.2 Ų80.231%0.31448%0.479SS..Hα-helixtrans-70.7-39.3175.600000112T250 S252 A257 A258 A259T250-A255 HydrophobicContact CG2-CB 4.31Å; S252-A255 PolarHBondContact O-N 3.32Å; S252-A255 VanDerWaalsContact O-N 3.09Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 3.12Å; A255-A258 PolarHBondContact O-N 3.03Å; A255-A259 PolarHBondContact O-N 2.9Å
256V65.6Low61.1Low2 Ų279.9 Ų79.91%0.01248%0.477CS..Hα-helixtrans-59.8-43.3174.5178.10000110.8L246 T250 S252 A258 A259 E260L246-V256 HydrophobicContact CB-CG1 4.05Å; L246-V256 HydrophobicContact CB-CG2 4.39Å; L246-V256 HydrophobicContact CD1-CG1 4.5Å; T250-V256 WeakPolarHBondContact OG1-CG2 3.45Å; S252-V256 PolarHBondContact O-N 2.85Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.33Å; V256-A259 PolarHBondContact O-N 3.48Å; V256-E260 WeakPolarHBondContact O-CG 3.28Å; V256-E260 PolarHBondContact O-N 2.77Å; V256-E260 VanDerWaalsContact O-N 3.09Å
257A63.4Low59.6Low33 Ų3382.8 Ų82.827%0.27350%0.496SS..Hα-helixtrans-65.3-31.7178.300000113.6P253 T254 A255P253-A257 PolarHBondContact O-N 3.43Å; T254-A257 PolarHBondContact O-N 2.9Å; A255-A257 VanDerWaalsContact C-N 3.32Å; A255-A257 PolarHBondContact O-N 3.12Å
258A59.3Low58.4Low57 Ų5785.6 Ų85.647%0.47152%0.515SS..Hα-helixtrans-74-40.7174.700000112T254 A255 V256 E260 R261T254-A258 PolarHBondContact O-N 3.22Å; A255-A258 PolarHBondContact O-N 3.03Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.33Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.49Å; A258-R261 PolarHBondContact O-N 3.17Å
259A60.4Low57.3Low29 Ų2978.6 Ų78.624%0.2448%0.482CS..Hα-helixtrans-64.8-34.2177.900000112.8L246 A255 V256 R261 C262L246-A259 HydrophobicContact CD1-CB 4.29Å; L246-A259 HydrophobicContact CD2-CB 4.43Å; A255-A259 PolarHBondContact O-N 2.9Å; V256-A259 PolarHBondContact O-N 3.48Å; A259-R261 PolarHBondContact O-N 3.14Å; A259-C262 PolarHBondContact O-N 2.97Å
260E59.6Low56.2Low49 Ų4976.6 Ų76.623%0.22948%0.476CS..Hα-helixtrans-61.3-29.5176-75.5179.3146.400113.4K232 H243 L246 V256 A258K232-E260 IonicContact NZ-OE2 3.08Å; K232-E260 PolarHBondContact NZ-OE2 3.29Å; H243-E260 IonicContact CE1-OE1 3.68Å; H243-E260 PolarHBondContact CE1-OE1 3.18Å; H243-E260 IonicContact CG-OE1 3.67Å; H243-E260 IonicContact ND1-OE1 3.33Å; H243-E260 PolarHBondContact ND1-OE1 2.83Å; L246-E260 HydrophobicContact CD1-CG 4.12Å; V256-E260 WeakPolarHBondContact O-CG 3.28Å; V256-E260 PolarHBondContact O-N 2.77Å; V256-E260 VanDerWaalsContact O-N 3.09Å; A258-E260 VanDerWaalsContact C-N 3.32Å; A258-E260 PolarHBondContact O-N 3.49Å
261R54.1Low55.4Low212 Ų21276.5 Ų76.580%0.848%0.483SS*.Hα-helixtrans-70.3-30177.2-79.2-176.5168.1116.6-5113.1A258 A259A258-R261 PolarHBondContact O-N 3.17Å; A259-R261 PolarHBondContact O-N 3.14Å
262C47.6Very low54.4Low117 Ų11776.8 Ų76.879%0.79148%0.48SS*.Hα-helixtrans-80.5-22.9-178.9-650000113.2A259A259-C262 PolarHBondContact O-N 2.97Å
263F50.8Low53.1Low148 Ų14882.6 Ų82.665%0.64951%0.513SS*.THydrogen-bonded Turntrans-90.91175.5-81-87.3000113.4A265F263-A265 PolarHBondContact O-N 3.18Å
264G43.6Very low52.5Low52 Ų5282.1 Ų82.154%0.53651%0.509SS..  trans-80.674.5-163.200000116.5
265A38.1Very low51.9Low105 Ų10580.6 Ų80.687%0.86850%0.5SS*.  trans-112.329.5139.400000110F263F263-A265 PolarHBondContact O-N 3.18Å
266T47.8Very low51.3Low64 Ų6482.9 Ų82.939%0.39351%0.51SS..SBendtrans-75.6138.6173.739.60000108.8T239 T268T239-T266 HydrophobicContact CG2-CG2 4.23Å; T266-T268 PolarHBondContact O-N 3.1Å
267V51.3Low50.5Low76 Ų7687.7 Ų87.746%0.46154%0.539SS..  trans-60.890.4174.4-179.90000107.6I218I218-V267 HydrophobicContact CD1-CG1 3.59Å; I218-V267 HydrophobicContact CG1-CG1 4.22Å
268T52.5Low49.7Very low86 Ų8691.1 Ų91.153%0.52856%0.556SS.*  trans-69.6131.6168.652.10000106.4T266 D270T266-T268 PolarHBondContact O-N 3.1Å; T268-D270 PolarHBondContact O-N 3.29Å; T268-D270 VanDerWaalsContact O-N 3.12Å
269C55Low49Very low15 Ų1593.4 Ų93.410%0.10156%0.562CS.*  trans-76.914.8178.748.70000113.2K223 C235 G271K223-C269 WeakPolarHBondContact CE-SG 3.49Å; K223-C269 PolarHBondContact NZ-SG 3.43Å; C235-C269 HydrophobicContact CB-CB 4.43Å; C235-C269 WeakPolarHBondContact SG-CB 3.41Å; C269-G271 PolarHBondContact O-N 3.25Å; C269-G271 VanDerWaalsContact O-N 3.11Å
270D50.1Low48.2Very low105 Ų10598 Ų9856%0.56159%0.585SS**SBendtrans-83.816-168.3-59.1-29000112.7K223 T268 T272K223-D270 IonicContact NZ-OD1 3.69Å; T268-D270 PolarHBondContact O-N 3.29Å; T268-D270 VanDerWaalsContact O-N 3.12Å; D270-T272 VanDerWaalsContact C-N 3.26Å; D270-T272 PolarHBondContact O-N 3.06Å
271G48Very low47.4Very low42 Ų42101.8 Ų101.843%0.43361%0.612SS.*  trans68.713.3154.500000116.7C269 V273C269-G271 PolarHBondContact O-N 3.25Å; C269-G271 VanDerWaalsContact O-N 3.11Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.96Å
272T41.5Very low46.8Very low132 Ų13292.6 Ų92.681%0.8160%0.596SS**  trans-76.389.4167.654.10000108.4D270D270-T272 VanDerWaalsContact C-N 3.26Å; D270-T272 PolarHBondContact O-N 3.06Å
273V35.2Very low46.7Very low169 Ų16990.4 Ų90.4100%1.02458%0.579SS**  trans-72.20162.9178.90000108.8G271G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.96Å

Retrieved 273 of 273 residues in 407.2 ms (Link to these results)