A0A3Q0KDD8_SCHMA Loading...

Large ribosomal subunit protein mL49

AlphaFold DB , UniProt , Accession A0A3Q0KDD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 192 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low39.2Very low240 Ų240160.9 Ų160.9100%1.18285%0.849SS**  01200-66.9-171.1-149.500107.4
2L41.1Very low38.9Very low172 Ų172159.3 Ų159.390%0.90184%0.84SS**  trans18.8137.1149.9-58.6160.8000117.4
3S40.2Very low38.9Very low106 Ų106162.2 Ų162.274%0.74184%0.841SS**  cis-177.3132.45.144.30000105.3
4G34.9Very low39Very low75 Ų75166 Ų16677%0.77384%0.842SS**  trans-89.9137.7170.800000111
5I48.1Very low39Very low170 Ų170160.7 Ų160.787%0.87283%0.834SS**  trans-138.4127156.1-61.9-177.8000107.9
6V42.6Very low38.6Very low131 Ų131157.5 Ų157.579%0.79483%0.829SS**  trans-90.1149.6-170.3169.10000110.9
7L36.6Very low38.6Very low158 Ų158156.6 Ų156.683%0.82782%0.823SS**  trans-38.5146.5167.9-75.899.4000115.4
8C36.3Very low38.6Very low121 Ų121153.6 Ų153.682%0.81882%0.824SS**  -167.7114.1108-130.40000112.3
9R36.6Very low38.7Very low243 Ų243154.5 Ų154.592%0.91782%0.823SS**  trans-82.3122.4161.1-79.4177.3168.9-173.3-3.1108.2
10R39.6Very low38.9Very low220 Ų220152.7 Ų152.783%0.8382%0.818SS**  trans-149111.7153.3-94.8-169.7175175-1.4112.1
11I40Very low38.8Very low134 Ų134150.2 Ų150.269%0.68781%0.811SS**  trans7499.7130.2-54.4164000117.6
12L35.8Very low39.1Very low142 Ų142144.7 Ų144.774%0.74379%0.786SS**  28122.2125.7-69.2151.1000118.3
13K38.8Very low39.2Very low196 Ų196146.7 Ų146.785%0.85278%0.782SS**  -175.3115.8117.1-97.4163.3-173.6-172.10111.6
14Y40.2Very low39.6Very low216 Ų216148.8 Ų148.885%0.84778%0.78SS**  trans39.2139133.8-72-88.8000122.8
15A39.2Very low40.3Very low87 Ų87152.2 Ų152.272%0.71978%0.779SS**  trans87.599.7142.500000118.1
16S33.3Very low40.1Very low109 Ų109155 Ų15576%0.76278%0.779SS**  trans-9.2125.5135.354.10000116
17I38Very low40.4Very low143 Ų143152.5 Ų152.573%0.73376%0.763SS**  trans-165.1114130.6-87.3138.8000104.6Q19I17-Q19 HydrophobicContact CG2-CB 4.22Å; I17-Q19 HydrophobicContact CG2-CG 3.77Å; I17-Q19 PolarHBondContact O-N 3.4Å
18A38.8Very low40.9Very low101 Ų101153.3 Ų153.384%0.83576%0.763SS**  trans-67.690.6163.200000107.2V20A18-V20 VanDerWaalsContact C-N 3.33Å; A18-V20 PolarHBondContact O-N 3.25Å; A18-V20 VanDerWaalsContact O-N 3.11Å
19Q39.9Very low41.1Very low171 Ų171157 Ų15780%0.79976%0.76SS**  trans-78.591.6168.8-108.9170.9-14.200107.4I17 C21I17-Q19 HydrophobicContact CG2-CB 4.22Å; I17-Q19 HydrophobicContact CG2-CG 3.77Å; I17-Q19 PolarHBondContact O-N 3.4Å; Q19-C21 PolarHBondContact O-N 3.39Å
20V42.2Very low41.1Very low119 Ų119155 Ų15572%0.72175%0.752SS**  trans-51.5109.7158.3173.90000106.2A18 N22A18-V20 VanDerWaalsContact C-N 3.33Å; A18-V20 PolarHBondContact O-N 3.25Å; A18-V20 VanDerWaalsContact O-N 3.11Å; V20-N22 PolarHBondContact O-N 2.87Å
21C37.7Very low41.5Very low101 Ų101149.7 Ų149.768%0.68275%0.746SS**  trans-74.775-180-146.80000107.9Q19 R23Q19-C21 PolarHBondContact O-N 3.39Å; C21-R23 PolarHBondContact O-N 2.88Å
22N41.1Very low42Very low123 Ų123150.5 Ų150.566%0.65876%0.757SS**  trans-72.976.1170.6-119.9-0.2000107.3V20 H24V20-N22 PolarHBondContact O-N 2.87Å; N22-H24 PolarHBondContact O-N 2.97Å; N22-H24 PolarHBondContact O-ND1 2.98Å
23R44.3Very low42.8Very low214 Ų214150.7 Ų150.781%0.80876%0.759SS**  trans-66.387.4172.3-75.9-173.3179.2-165.7-0.1108.4C21 I25C21-R23 PolarHBondContact O-N 2.88Å; R23-I25 PolarHBondContact O-N 3.37Å; R23-I25 VanDerWaalsContact O-N 3.15Å
24H47.2Very low43.7Very low151 Ų151150 Ų15070%0.69976%0.759SS**  trans-69.8104.2166.8-71.164.4000107.6N22 R26N22-H24 PolarHBondContact O-N 2.97Å; N22-H24 PolarHBondContact O-ND1 2.98Å; H24-R26 PolarHBondContact O-N 3.46Å
25I49.9Very low44.8Very low147 Ų147143.8 Ų143.875%0.75474%0.74SS**  trans-76.8100168.3-57.5171.9000106.3R23 V27R23-I25 PolarHBondContact O-N 3.37Å; R23-I25 VanDerWaalsContact O-N 3.15Å; I25-V27 HydrophobicContact CG2-CG2 3.56Å; I25-V27 PolarHBondContact O-N 2.99Å; I25-V27 VanDerWaalsContact O-N 3.13Å
26R43.3Very low45.7Very low229 Ų229143.6 Ų143.686%0.86473%0.731SS**  trans-74.593.1165.4-82.1-168.9-170.2-149.72.3108.3H24 Q28H24-R26 PolarHBondContact O-N 3.46Å; R26-Q28 PolarHBondContact O-N 3.38Å
27V50.4Low47.1Very low78 Ų78146.9 Ų146.947%0.47373%0.727SS.*  trans-83.1108.3166.2-161.20000107I25 W29I25-V27 HydrophobicContact CG2-CG2 3.56Å; I25-V27 PolarHBondContact O-N 2.99Å; I25-V27 VanDerWaalsContact O-N 3.13Å; V27-W29 HydrophobicContact CG1-CD2 4.09Å; V27-W29 HydrophobicContact CG1-CE3 4.49Å; V27-W29 HydrophobicContact CG1-CH2 4.35Å; V27-W29 HydrophobicContact CG1-CZ2 3.92Å; V27-W29 PolarHBondContact O-N 2.71Å
28Q47.1Very low48.5Very low175 Ų175143 Ų14382%0.81871%0.709SS**  trans-90.28.3-164.9-146.9175.3-1700114.3R26R26-Q28 PolarHBondContact O-N 3.38Å
29W39.8Very low49.5Very low198 Ų198143 Ų14375%0.7569%0.693SS**  trans-133.421-16664.574.3000117.4V27V27-W29 HydrophobicContact CG1-CD2 4.09Å; V27-W29 HydrophobicContact CG1-CE3 4.49Å; V27-W29 HydrophobicContact CG1-CH2 4.35Å; V27-W29 HydrophobicContact CG1-CZ2 3.92Å; V27-W29 PolarHBondContact O-N 2.71Å
30W37.3Very low50.5Low201 Ų201141.1 Ų141.176%0.76169%0.688SS**SBendtrans-101.9128.1166.1-67.292.2000109.4
31P48.1Very low51.6Low109 Ų109140 Ų14071%0.70869%0.685SS**  trans-57.6146168.427.9-31.3000107.4L33P31-L33 PolarHBondContact O-N 3.01Å
32T49.8Very low52.9Low150 Ų150137.5 Ų137.592%0.9267%0.665SS**SBendtrans-56.359.2-172.647.50000114.7
33L53.2Low54.2Low147 Ų147134.4 Ų134.477%0.7766%0.657SS**  trans-80.3111.1150.2-151.777.8000103.6P31 N35P31-L33 PolarHBondContact O-N 3.01Å; L33-N35 PolarHBondContact O-N 2.94Å; L33-N35 VanDerWaalsContact O-N 3.08Å
34E57.9Low55.3Low182 Ų182130.3 Ų130.385%0.8565%0.65SS**  trans-43.4123.9169-83161.9149.600107.7P36E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.47Å
35N61.6Low56.4Low85 Ų85128.7 Ų128.746%0.45565%0.647SS.*  trans-51115.5-176.5162.433.2000107.3L33 W37 V38L33-N35 PolarHBondContact O-N 2.94Å; L33-N35 VanDerWaalsContact O-N 3.08Å; N35-W37 PolarHBondContact O-N 2.93Å; N35-W37 PolarHBondContact OD1-N 2.64Å; N35-V38 HydrophobicContact CB-CG2 3.7Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 VanDerWaalsContact O-CG2 3.23Å; N35-V38 WeakPolarHBondContact O-CG2 3.38Å; N35-V38 PolarHBondContact O-N 3.45Å
36P59.6Low57.2Low82 Ų82124.9 Ų124.953%0.53263%0.628SS.*G310 helixtrans-62.5-18.1-171.222.1-31.9000111.7E34E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.47Å
37W62.9Low58.2Low179 Ų179117.2 Ų117.268%0.67860%0.604SS**G310 helixtrans-89.15176.4-42105.2000114N35 E39 D40N35-W37 PolarHBondContact O-N 2.93Å; N35-W37 PolarHBondContact OD1-N 2.64Å; W37-E39 PolarHBondContact O-N 3.37Å; W37-D40 PolarHBondContact O-N 2.95Å
38V65.8Low59Low60 Ų60120.5 Ų120.536%0.36462%0.618SS.*G310 helixtrans-61.7-28.8172170.30000110.4N35 D40 S41N35-V38 HydrophobicContact CB-CG2 3.7Å; N35-V38 WeakPolarHBondContact O-CB 3.42Å; N35-V38 VanDerWaalsContact O-CG2 3.23Å; N35-V38 WeakPolarHBondContact O-CG2 3.38Å; N35-V38 PolarHBondContact O-N 3.45Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 2.88Å; V38-S41 PolarHBondContact O-N 2.81Å; V38-S41 VanDerWaalsContact O-N 3.08Å; V38-S41 PolarHBondContact O-OG 3.23Å
39E60Low60.1Low103 Ų103119.3 Ų119.348%0.48161%0.61SS.*G310 helixtrans-60.2-39.3178.4-51.8-163.1143.900112.3W37 S41 L42 L47 R50W37-E39 PolarHBondContact O-N 3.37Å; E39-S41 PolarHBondContact O-N 2.9Å; E39-S41 VanDerWaalsContact O-N 3.12Å; E39-L42 PolarHBondContact O-N 3.07Å; E39-L42 VanDerWaalsContact O-N 3.15Å; E39-L47 HydrophobicContact CB-CD2 4.4Å; E39-R50 IonicContact OE1-NH1 2.72Å; E39-R50 PolarHBondContact OE1-NH1 3.33Å
40D62.2Low61.4Low131 Ų131115.8 Ų115.870%0.70160%0.597SS**G310 helixtrans-65.5-16.1178-65-20.4000113.2W37 V38W37-D40 PolarHBondContact O-N 2.95Å; V38-D40 VanDerWaalsContact C-N 3.3Å; V38-D40 PolarHBondContact O-N 2.88Å
41S64.5Low63.1Low94 Ų94115.3 Ų115.366%0.65760%0.6SS**G310 helixtrans-96.6-6.2179.170.70000114.3V38 E39V38-S41 PolarHBondContact O-N 2.81Å; V38-S41 VanDerWaalsContact O-N 3.08Å; V38-S41 PolarHBondContact O-OG 3.23Å; E39-S41 PolarHBondContact O-N 2.9Å; E39-S41 VanDerWaalsContact O-N 3.12Å
42L65Low64.6Low49 Ų49115.8 Ų115.826%0.25760%0.603SS.*SBendtrans-85.3141.5178.8-67.7169.3000110.7E39 D46 L47E39-L42 PolarHBondContact O-N 3.07Å; E39-L42 VanDerWaalsContact O-N 3.15Å; L42-D46 HydrophobicContact CB-CB 4.48Å; L42-L47 HydrophobicContact CB-CD2 4.16Å; L42-L47 HydrophobicContact CB-CG 4.32Å; L42-L47 HydrophobicContact CD1-CD2 4.16Å
43A68.1Low66.2Low59 Ų59114.9 Ų114.949%0.48860%0.597SS.*  trans-64.4144.9171.200000109.9N45 D46 L47A43-N45 PolarHBondContact O-N 3.28Å; A43-D46 PolarHBondContact O-N 3.11Å; A43-L47 PolarHBondContact O-N 2.63Å
44D68.4Low67.9Low127 Ų127115.6 Ų115.668%0.67960%0.602SS**Hα-helixtrans-48.4-36.1-177.8-64.5-24000113.4D46 L47 L48D44-D46 VanDerWaalsContact C-N 3.25Å; D44-D46 PolarHBondContact O-N 2.53Å; D44-L47 PolarHBondContact O-N 2.94Å; D44-L48 WeakPolarHBondContact O-CG 2.97Å; D44-L48 PolarHBondContact O-N 3Å; D44-L48 VanDerWaalsContact O-N 3.17Å
45N69.9Low69.5Low117 Ų117116 Ų11663%0.62660%0.597SS**Hα-helixtrans-61.7-28.7177.5-69.6-29.6000114A43 K49A43-N45 PolarHBondContact O-N 3.28Å; N45-K49 WeakPolarHBondContact O-CE 3.37Å; N45-K49 WeakPolarHBondContact O-CG 3.46Å
46D66.9Low70.9Confident68 Ų68121.2 Ų121.236%0.36462%0.618SS.*Hα-helixtrans-86.5-29.6179.3-69-26.4000112L42 A43 D44 K49L42-D46 HydrophobicContact CB-CB 4.48Å; A43-D46 PolarHBondContact O-N 3.11Å; D44-D46 VanDerWaalsContact C-N 3.25Å; D44-D46 PolarHBondContact O-N 2.53Å; D46-K49 PolarHBondContact O-N 2.8Å; D46-K49 IonicContact OD1-NZ 3.03Å; D46-K49 PolarHBondContact OD1-NZ 3.39Å
47L64.7Low72.5Confident68 Ų68124.1 Ų124.136%0.35663%0.628SS.*Hα-helixtrans-63.3-43170.5-64.8176.5000111E39 L42 A43 D44 K49 R50E39-L47 HydrophobicContact CB-CD2 4.4Å; L42-L47 HydrophobicContact CB-CD2 4.16Å; L42-L47 HydrophobicContact CB-CG 4.32Å; L42-L47 HydrophobicContact CD1-CD2 4.16Å; A43-L47 PolarHBondContact O-N 2.63Å; D44-L47 PolarHBondContact O-N 2.94Å; L47-K49 PolarHBondContact O-N 2.68Å; L47-R50 PolarHBondContact O-N 3.11Å
48L66.4Low73.8Confident146 Ų146119.4 Ų119.476%0.76462%0.622SS**THydrogen-bonded Turntrans-65.5-19.9178.7-67.1174.3000114.1D44D44-L48 WeakPolarHBondContact O-CG 2.97Å; D44-L48 PolarHBondContact O-N 3Å; D44-L48 VanDerWaalsContact O-N 3.17Å
49K70.2Confident75.1Confident151 Ų151124.8 Ų124.866%0.65764%0.644SS**THydrogen-bonded Turntrans-83-17.2177.5-70.3170.3-163.7159.20113.1N45 D46 L47 K51N45-K49 WeakPolarHBondContact O-CE 3.37Å; N45-K49 WeakPolarHBondContact O-CG 3.46Å; D46-K49 PolarHBondContact O-N 2.8Å; D46-K49 IonicContact OD1-NZ 3.03Å; D46-K49 PolarHBondContact OD1-NZ 3.39Å; L47-K49 PolarHBondContact O-N 2.68Å; K49-K51 PolarHBondContact O-N 2.74Å
50R66.3Low76.7Confident124 Ų124123.7 Ų123.747%0.46865%0.652SS.*SBendtrans-73131-178.5-69.9-178.6171.8-167.6-7.2109.5E39 L47E39-R50 IonicContact OE1-NH1 2.72Å; E39-R50 PolarHBondContact OE1-NH1 3.33Å; L47-R50 PolarHBondContact O-N 3.11Å
51K74.4Confident78.2Confident190 Ų190124.2 Ų124.283%0.82665%0.65SS**PPolyproline II helixtrans-65.7130.5167.4-68.3-177.5178.1-178.90107.4K49 V53K49-K51 PolarHBondContact O-N 2.74Å; K51-V53 PolarHBondContact O-N 2.83Å
52P78.4Confident79.6Confident119 Ų119125.8 Ų125.877%0.77364%0.642SS**PPolyproline II helixtrans-57.1140.1173.324.8-32.4000109.1
53V84.7Confident81Confident132 Ų132126.9 Ų126.980%0.865%0.651SS**PPolyproline II helixtrans-73.2133173.4-178.80000107.8K51K51-V53 PolarHBondContact O-N 2.83Å
54D88.2Confident82.3Confident161 Ų161132 Ų13286%0.86166%0.658SS**PPolyproline II helixtrans-62.7138.7174.4-63-36.2000109.6
55Y90.4Very high83.5Confident191 Ų191129 Ų12975%0.74964%0.644SS**  trans-131149.6-17964.5-90.5000110.9I57Y55-I57 HydrophobicContact CD2-CG1 3.97Å; Y55-I57 HydrophobicContact CE2-CD1 3.98Å; Y55-I57 HydrophobicContact CE2-CG1 3.82Å
56E91.7Very high84.7Confident194 Ų194128.7 Ų128.791%0.90764%0.639SS**  trans-111.5136.3172.5-64.5-175.917700109.3
57I92.7Very high86Confident144 Ų144132 Ų13274%0.73865%0.65SS**  trans-97112.5176.5-56.6175.6000108.2Y55Y55-I57 HydrophobicContact CD2-CG1 3.97Å; Y55-I57 HydrophobicContact CE2-CD1 3.98Å; Y55-I57 HydrophobicContact CE2-CG1 3.82Å
58S91.9Very high87.4Confident79 Ų79135.5 Ų135.555%0.55267%0.668SS**  trans-111.6139.6172.4-1790000111.2A60S58-A60 PolarHBondContact OG-N 2.92Å
59Q92.6Very high88.7Confident174 Ų174134 Ų13481%0.81366%0.66SS**SBendtrans-97.8-15.3174.5-66.4-177.9-14.900112.8E61 Y62Q59-E61 VanDerWaalsContact C-N 3.26Å; Q59-E61 PolarHBondContact O-N 2.84Å; Q59-Y62 VanDerWaalsContact O-CB 3.31Å; Q59-Y62 WeakPolarHBondContact O-CB 3.46Å; Q59-Y62 PolarHBondContact O-N 2.83Å; Q59-Y62 VanDerWaalsContact O-N 3.16Å
60A93.6Very high89.9Confident79 Ų79135.9 Ų135.965%0.65367%0.668SS**THydrogen-bonded Turntrans-63.5-32.3-172.900000112.9S58 Y62S58-A60 PolarHBondContact OG-N 2.92Å; A60-Y62 VanDerWaalsContact C-N 3.34Å
61E93.1Very high91.1Very high142 Ų142135.8 Ų135.866%0.66468%0.677SS**THydrogen-bonded Turntrans-85.6-7.9-177.7-63.1177.5179.900113.1Q59 V63 W64Q59-E61 VanDerWaalsContact C-N 3.26Å; Q59-E61 PolarHBondContact O-N 2.84Å; E61-V63 PolarHBondContact O-N 2.88Å; E61-V63 VanDerWaalsContact O-N 3.13Å; E61-W64 VanDerWaalsContact O-CD1 3.29Å; E61-W64 PolarHBondContact O-N 3.35Å; E61-W64 VanDerWaalsContact O-N 3.08Å
62Y94.1Very high92Very high127 Ų127132.9 Ų132.950%0.49868%0.675SS.*Hα-helixtrans-64.8-20.4-177.4-162.3-97.3000113Q59 A60 W64 V65 E66Q59-Y62 VanDerWaalsContact O-CB 3.31Å; Q59-Y62 WeakPolarHBondContact O-CB 3.46Å; Q59-Y62 PolarHBondContact O-N 2.83Å; Q59-Y62 VanDerWaalsContact O-N 3.16Å; A60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 2.85Å; Y62-W64 VanDerWaalsContact O-N 3.12Å; Y62-V65 HydrophobicContact CD2-CB 4.08Å; Y62-V65 HydrophobicContact CD2-CG1 4.49Å; Y62-V65 HydrophobicContact CD2-CG2 4.01Å; Y62-V65 HydrophobicContact CE2-CB 4.04Å; Y62-V65 HydrophobicContact CE2-CG1 3.95Å; Y62-V65 HydrophobicContact CE2-CG2 4.23Å; Y62-V65 HydrophobicContact CG-CB 4.36Å; Y62-V65 WeakPolarHBondContact O-CA 3.43Å; Y62-V65 VanDerWaalsContact O-CB 3.31Å; Y62-V65 WeakPolarHBondContact O-CB 3.42Å; Y62-V65 PolarHBondContact O-N 3.28Å; Y62-E66 HydrophobicContact CD1-CG 3.94Å; Y62-E66 HydrophobicContact CE1-CG 4.02Å; Y62-E66 PolarHBondContact O-N 3.26Å
63V95.4Very high92.7Very high72 Ų72135 Ų13544%0.43667%0.672SS.*Hα-helixtrans-54-31.4172.4-179.10000112E61 K67E61-V63 PolarHBondContact O-N 2.88Å; E61-V63 VanDerWaalsContact O-N 3.13Å; V63-K67 WeakPolarHBondContact O-CG 3.24Å; V63-K67 PolarHBondContact O-N 2.83Å
64W94.7Very high93.1Very high168 Ų168132.8 Ų132.864%0.63666%0.655SS**Hα-helixtrans-74-33.3176.4-59.8111.5000112.4E61 Y62 K67 I68E61-W64 VanDerWaalsContact O-CD1 3.29Å; E61-W64 PolarHBondContact O-N 3.35Å; E61-W64 VanDerWaalsContact O-N 3.08Å; Y62-W64 PolarHBondContact O-N 2.85Å; Y62-W64 VanDerWaalsContact O-N 3.12Å; W64-K67 HydrophobicContact CE3-CD 3.98Å; W64-K67 HydrophobicContact CZ3-CD 4.2Å; W64-I68 WeakPolarHBondContact O-CD1 3.31Å; W64-I68 WeakPolarHBondContact O-CG1 3.06Å
65V93.9Very high93.4Very high63 Ų63129.8 Ų129.838%0.38264%0.644SS.*Hα-helixtrans-65.9-43.6173.2-1770000109.8Y62 K67 I68 L69Y62-V65 HydrophobicContact CD2-CB 4.08Å; Y62-V65 HydrophobicContact CD2-CG1 4.49Å; Y62-V65 HydrophobicContact CD2-CG2 4.01Å; Y62-V65 HydrophobicContact CE2-CB 4.04Å; Y62-V65 HydrophobicContact CE2-CG1 3.95Å; Y62-V65 HydrophobicContact CE2-CG2 4.23Å; Y62-V65 HydrophobicContact CG-CB 4.36Å; Y62-V65 WeakPolarHBondContact O-CA 3.43Å; Y62-V65 VanDerWaalsContact O-CB 3.31Å; Y62-V65 WeakPolarHBondContact O-CB 3.42Å; Y62-V65 PolarHBondContact O-N 3.28Å; V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 PolarHBondContact O-N 2.98Å; V65-I68 WeakPolarHBondContact O-CB 3.28Å; V65-I68 PolarHBondContact O-N 2.86Å; V65-L69 PolarHBondContact O-N 3.15Å
66E94.3Very high93.4Very high111 Ų111127.4 Ų127.452%0.51964%0.638SS.*Hα-helixtrans-57.2-40.3178.5-68.1-179172.800112.9Y62 I68 L69Y62-E66 HydrophobicContact CD1-CG 3.94Å; Y62-E66 HydrophobicContact CE1-CG 4.02Å; Y62-E66 PolarHBondContact O-N 3.26Å; E66-I68 PolarHBondContact O-N 2.87Å; E66-L69 WeakPolarHBondContact O-CB 3.49Å; E66-L69 PolarHBondContact O-N 3.2Å
67K93.8Very high93.3Very high136 Ų136119.8 Ų119.859%0.59161%0.605SS**Hα-helixtrans-65.6-25.1177.7-70.1173.7-174.5173.30113.6V63 W64 V65V63-K67 WeakPolarHBondContact O-CG 3.24Å; V63-K67 PolarHBondContact O-N 2.83Å; W64-K67 HydrophobicContact CE3-CD 3.98Å; W64-K67 HydrophobicContact CZ3-CD 4.2Å; V65-K67 VanDerWaalsContact C-N 3.3Å; V65-K67 PolarHBondContact O-N 2.98Å
68I95Very high93Very high143 Ų143119.6 Ų119.673%0.73360%0.601SS**Hα-helixtrans-83.6-21.4179.3-62.4165.5000110.7W64 V65 E66 K70W64-I68 WeakPolarHBondContact O-CD1 3.31Å; W64-I68 WeakPolarHBondContact O-CG1 3.06Å; V65-I68 WeakPolarHBondContact O-CB 3.28Å; V65-I68 PolarHBondContact O-N 2.86Å; E66-I68 PolarHBondContact O-N 2.87Å; I68-K70 PolarHBondContact O-N 3.23Å
69L94.5Very high92.4Very high114 Ų114123.5 Ų123.560%0.59762%0.616SS**SBendtrans-61.9130.9178.6-60.5179.7000110.7V65 E66V65-L69 PolarHBondContact O-N 3.15Å; E66-L69 WeakPolarHBondContact O-CB 3.49Å; E66-L69 PolarHBondContact O-N 3.2Å
70K94.5Very high92Very high190 Ų190118.4 Ų118.483%0.82659%0.594SS**PPolyproline II helixtrans-66.2137.1177.966.8-172.5179.8-175.10110.9I68I68-K70 PolarHBondContact O-N 3.23Å
71N91.4Very high91.4Very high123 Ų123120.9 Ų120.966%0.65860%0.6SS**PPolyproline II helixtrans-77.1128.3168.7-165.9-7.6000109.9K73N71-K73 VanDerWaalsContact CG-O 3.31Å; N71-K73 PolarHBondContact ND2-O 3.41Å; N71-K73 PolarHBondContact OD1-N 3.17Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å; N71-K73 PolarHBondContact OD1-O 3.2Å
72T93.1Very high90.8Very high129 Ų129116.6 Ų116.679%0.79159%0.589SS**SBendtrans-77.9-26.4176.745.20000113
73K93.5Very high90.4Very high164 Ų164115.2 Ų115.271%0.71360%0.596SS**SBendtrans-99.1136-178.7-66.1-177.2-179178.30109.8N71N71-K73 VanDerWaalsContact CG-O 3.31Å; N71-K73 PolarHBondContact ND2-O 3.41Å; N71-K73 PolarHBondContact OD1-N 3.17Å; N71-K73 VanDerWaalsContact OD1-N 3.09Å; N71-K73 PolarHBondContact OD1-O 3.2Å
74I93.6Very high90.2Very high85 Ų85113 Ų11344%0.43658%0.582SS.*PPolyproline II helixtrans-71127.3173.9-59.8169.2000107.6K107I74-K107 HydrophobicContact CD1-CB 3.9Å; I74-K107 HydrophobicContact CD1-CD 3.88Å; I74-K107 HydrophobicContact CD1-CG 3.89Å
75P93.4Very high90.1Very high97 Ų97112.1 Ų112.163%0.6360%0.598SS**PPolyproline II helixtrans-65.7146.8-179.827.3-34.4000111.1H109P75-H109 PolarHBondContact O-NE2 3.19Å
76F90.8Very high90Very high141 Ų141114.1 Ų114.162%0.61862%0.615SS**PPolyproline II helixtrans-88.8134.7173-172-99000109.8E78 H109F76-E78 HydrophobicContact CD1-CG 3.71Å; F76-E78 HydrophobicContact CE1-CG 4.44Å; F76-E78 PolarHBondContact O-N 3.13Å; F76-H109 AromaticContact CD2-CE1 3.64Å
77P89.8Confident89.9Confident35 Ų35111.1 Ų111.123%0.22761%0.614CS.*  trans-73.890.3176.927.1-32.9000110.5I80 W88 H109P77-I80 HydrophobicContact CB-CD1 3.38Å; P77-I80 HydrophobicContact CB-CG1 4.16Å; P77-W88 HydrophobicContact CB-CH2 3.78Å; P77-W88 HydrophobicContact CB-CZ2 4.25Å; P77-W88 HydrophobicContact CB-CZ3 4.25Å; P77-W88 HydrophobicContact CG-CH2 3.54Å; P77-W88 HydrophobicContact CG-CZ2 3.66Å; P77-W88 HydrophobicContact CG-CZ3 4.46Å; P77-H109 WeakPolarHBondContact CD-CD2 3.49Å; P77-H109 WeakPolarHBondContact CD-NE2 3.46Å; P77-H109 HydrophobicContact CG-CB 4.2Å
78E85.7Confident89.9Confident140 Ų140106.4 Ų106.465%0.65459%0.593SS**  trans-84.9144.5174.8-63.4179.2-172.500111.2F76 I80F76-E78 HydrophobicContact CD1-CG 3.71Å; F76-E78 HydrophobicContact CE1-CG 4.44Å; F76-E78 PolarHBondContact O-N 3.13Å; E78-I80 PolarHBondContact O-N 2.85Å
79N80.8Confident89.8Confident161 Ų161102.7 Ų102.786%0.86157%0.574SS**SBendtrans58.739.8168.2-54.7-38000116.3
80I82.2Confident89.7Confident67 Ų6799.5 Ų99.534%0.34456%0.56SS.*PPolyproline II helixtrans-90.5124.4-179.3-58.5-163.8000111.5P77 E78 A82 T84 W88P77-I80 HydrophobicContact CB-CD1 3.38Å; P77-I80 HydrophobicContact CB-CG1 4.16Å; E78-I80 PolarHBondContact O-N 2.85Å; I80-A82 PolarHBondContact O-N 3.24Å; I80-T84 HydrophobicContact CG2-CG2 3.17Å; I80-W88 HydrophobicContact CB-CZ3 4Å; I80-W88 HydrophobicContact CD1-CE3 4.08Å; I80-W88 HydrophobicContact CD1-CH2 4.38Å; I80-W88 HydrophobicContact CD1-CZ3 3.68Å; I80-W88 HydrophobicContact CG1-CZ3 4.27Å; I80-W88 HydrophobicContact CG2-CE3 4.15Å; I80-W88 HydrophobicContact CG2-CZ3 3.95Å
81V81.5Confident89.6Confident130 Ų13093.6 Ų93.679%0.78854%0.541SS*.PPolyproline II helixtrans-75.1120.6166.8-177.70000108.7
82A82Confident89.7Confident52 Ų5290.6 Ų90.643%0.4353%0.525SS..SBendtrans-90.9147-179.400000111.9I80 P90I80-A82 PolarHBondContact O-N 3.24Å; A82-P90 HydrophobicContact CB-CG 4.14Å
83P84.9Confident89.5Confident99 Ų9988.4 Ų88.464%0.64351%0.513SS*.SBendcis-78.1148.4-11.832.2-33.2000112.2I89P83-I89 HydrophobicContact CB-CG1 4.17Å
84T90.6Very high89.4Confident24 Ų2487.2 Ų87.215%0.14751%0.51CS..PPolyproline II helixtrans-72.9162.4172.654.30000111.9I80 S86 G87 W88I80-T84 HydrophobicContact CG2-CG2 3.17Å; T84-S86 PolarHBondContact O-N 2.98Å; T84-S86 VanDerWaalsContact O-N 3.13Å; T84-S86 PolarHBondContact OG1-OG 2.84Å; T84-S86 VanDerWaalsContact OG1-OG 3.11Å; T84-G87 WeakPolarHBondContact O-CA 3.43Å; T84-G87 PolarHBondContact O-N 2.92Å; T84-W88 HydrophobicContact CG2-CE3 4.25Å; T84-W88 PolarHBondContact N-O 3.35Å; T84-W88 WeakPolarHBondContact OG1-CA 3.46Å; T84-W88 VanDerWaalsContact OG1-CB 3.3Å; T84-W88 WeakPolarHBondContact OG1-CB 3.48Å; T84-W88 PolarHBondContact OG1-N 2.93Å; T84-W88 PolarHBondContact OG1-O 3.29Å
85P93.5Very high89.2Confident150 Ų15087.1 Ų87.197%0.97451%0.51SS*.THydrogen-bonded Turntrans-57.6-26.1175.2-26.435.2000114.5G87P85-G87 VanDerWaalsContact C-N 3.26Å
86S91.3Very high88.9Confident105 Ų10584 Ų8473%0.73449%0.491SS*.THydrogen-bonded Turntrans-80.7-3.8173.958.20000113.8T84 W88T84-S86 PolarHBondContact O-N 2.98Å; T84-S86 VanDerWaalsContact O-N 3.13Å; T84-S86 PolarHBondContact OG1-OG 2.84Å; T84-S86 VanDerWaalsContact OG1-OG 3.11Å; S86-W88 VanDerWaalsContact C-N 3.33Å
87G91.6Very high88.9Confident49 Ų4984.9 Ų84.951%0.50549%0.494SS..  trans80.38-175.800000114.4T84 P85T84-G87 WeakPolarHBondContact O-CA 3.43Å; T84-G87 PolarHBondContact O-N 2.92Å; P85-G87 VanDerWaalsContact C-N 3.26Å
88W93.7Very high88.9Confident36 Ų3690.1 Ų90.114%0.13652%0.52CS..  trans-71134.6175.1-176.688.4000111.2P77 I80 T84 S86 P90 H109P77-W88 HydrophobicContact CB-CH2 3.78Å; P77-W88 HydrophobicContact CB-CZ2 4.25Å; P77-W88 HydrophobicContact CB-CZ3 4.25Å; P77-W88 HydrophobicContact CG-CH2 3.54Å; P77-W88 HydrophobicContact CG-CZ2 3.66Å; P77-W88 HydrophobicContact CG-CZ3 4.46Å; I80-W88 HydrophobicContact CB-CZ3 4Å; I80-W88 HydrophobicContact CD1-CE3 4.08Å; I80-W88 HydrophobicContact CD1-CH2 4.38Å; I80-W88 HydrophobicContact CD1-CZ3 3.68Å; I80-W88 HydrophobicContact CG1-CZ3 4.27Å; I80-W88 HydrophobicContact CG2-CE3 4.15Å; I80-W88 HydrophobicContact CG2-CZ3 3.95Å; T84-W88 HydrophobicContact CG2-CE3 4.25Å; T84-W88 PolarHBondContact N-O 3.35Å; T84-W88 WeakPolarHBondContact OG1-CA 3.46Å; T84-W88 VanDerWaalsContact OG1-CB 3.3Å; T84-W88 WeakPolarHBondContact OG1-CB 3.48Å; T84-W88 PolarHBondContact OG1-N 2.93Å; T84-W88 PolarHBondContact OG1-O 3.29Å; S86-W88 VanDerWaalsContact C-N 3.33Å; W88-P90 HydrophobicContact CH2-CB 3.65Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.83Å; W88-P90 HydrophobicContact CZ3-CG 4.25Å; W88-H109 HydrophobicContact CZ2-CB 4.09Å; W88-H109 PolarHBondContact NE1-O 2.97Å
89I93.1Very high89.3Confident66 Ų6684.5 Ų84.534%0.33850%0.495SS..  trans-125.2129-180-63164.4000108.2P83 R105 L188P83-I89 HydrophobicContact CB-CG1 4.17Å; I89-R105 PolarHBondContact O-NH1 3.48Å; I89-R105 PolarHBondContact O-NH2 3.17Å; I89-L188 HydrophobicContact CB-CD2 4.2Å; I89-L188 HydrophobicContact CD1-CD1 4.21Å
90P92.8Very high89.9Confident46 Ų4680.9 Ų80.930%0.29948%0.481SS..  trans-67.6151.3175.928.6-33.5000111.3A82 W88A82-P90 HydrophobicContact CB-CG 4.14Å; W88-P90 HydrophobicContact CH2-CB 3.65Å; W88-P90 HydrophobicContact CZ2-CB 4.46Å; W88-P90 HydrophobicContact CZ3-CB 3.83Å; W88-P90 HydrophobicContact CZ3-CG 4.25Å
91P93Very high90.6Very high67 Ų6778 Ų7844%0.43547%0.465SS..  trans-63.3141.2173.128.4-34.1000110.4G191P91-G191 CarbonylContact C-O 3.57Å; P91-G191 WeakPolarHBondContact CA-O 3.25Å
92N91.7Very high91.2Very high59 Ų5974.4 Ų74.432%0.31645%0.446SS..  trans-106104.1175.9-173.8-10.8000109.7E94 L95 S96 G191N92-E94 PolarHBondContact O-N 3.19Å; N92-E94 WeakPolarHBondContact OD1-CB 3.39Å; N92-E94 PolarHBondContact OD1-N 3.47Å; N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.38Å; N92-L95 PolarHBondContact O-N 2.89Å; N92-S96 PolarHBondContact O-N 3.45Å; N92-G191 PolarHBondContact N-O 3.26Å
93P89.9Confident91.9Very high83 Ų8372.1 Ų72.154%0.53943%0.427SS..Hα-helixtrans-66.1-21.2-176.828.2-35000113S96 K97P93-S96 WeakPolarHBondContact CA-OG 3.01Å; P93-S96 PolarHBondContact O-OG 2.79Å; P93-K97 VanDerWaalsContact O-CG 3.32Å; P93-K97 WeakPolarHBondContact O-CG 3.48Å
94E90.7Very high92.4Very high140 Ų14073 Ų7365%0.65442%0.417SS*.Hα-helixtrans-69.3-46.7179.3-60.7-174.7161.300111.6N92 S96 K97N92-E94 PolarHBondContact O-N 3.19Å; N92-E94 WeakPolarHBondContact OD1-CB 3.39Å; N92-E94 PolarHBondContact OD1-N 3.47Å; E94-S96 PolarHBondContact O-N 3.29Å; E94-K97 PolarHBondContact O-N 3.44Å
95L89.9Confident92.6Very high83 Ų8373.1 Ų73.144%0.43542%0.415SS..Hα-helixtrans-69.1-34.2-180-62.1177.3000112.6N92 K97 K190N92-L95 HydrophobicContact CB-CD1 4.22Å; N92-L95 HydrophobicContact CB-CG 4.38Å; N92-L95 PolarHBondContact O-N 2.89Å; L95-K97 PolarHBondContact O-N 2.98Å; L95-K190 CarbonylContact C-O 3.6Å; L95-K190 WeakPolarHBondContact CB-O 3.31Å
96S88.2Confident92.7Very high32 Ų3266.7 Ų66.722%0.22437%0.374CS..Hα-helixtrans-71.1-14.9-177.568.20000114.4N92 P93 E94 D98 K190N92-S96 PolarHBondContact O-N 3.45Å; P93-S96 WeakPolarHBondContact CA-OG 3.01Å; P93-S96 PolarHBondContact O-OG 2.79Å; E94-S96 PolarHBondContact O-N 3.29Å; S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 3.31Å; S96-K190 PolarHBondContact N-O 2.85Å
97K90.2Very high92.9Very high158 Ų15869 Ų6969%0.68737%0.371SS*.THydrogen-bonded Turntrans-70.6-27.7-176.2-79.2166.1-173.5179.10113.5P93 E94 L95 V99P93-K97 VanDerWaalsContact O-CG 3.32Å; P93-K97 WeakPolarHBondContact O-CG 3.48Å; E94-K97 PolarHBondContact O-N 3.44Å; L95-K97 PolarHBondContact O-N 2.98Å; K97-V99 PolarHBondContact O-N 3.29Å
98D90Very high93Very high145 Ų14571.1 Ų71.178%0.77537%0.37SS*.THydrogen-bonded Turntrans-80.3-7.2-172.9-62.7-25.1000113S96S96-D98 VanDerWaalsContact C-N 3.33Å; S96-D98 PolarHBondContact O-N 3.31Å
99V92.7Very high93Very high23 Ų2371.5 Ų71.514%0.13937%0.374CS..SBendtrans-109.6137.3-169.2-172.70000110.2K97 Y101 K190 F192K97-V99 PolarHBondContact O-N 3.29Å; V99-Y101 HydrophobicContact CG1-CD1 3.55Å; V99-Y101 HydrophobicContact CG1-CD2 3.69Å; V99-Y101 HydrophobicContact CG1-CE1 3.25Å; V99-Y101 HydrophobicContact CG1-CE2 3.43Å; V99-Y101 VanDerWaalsContact CG1-CE2 3.43Å; V99-Y101 HydrophobicContact CG1-CG 3.76Å; V99-Y101 PolarHBondContact O-N 2.92Å; V99-Y101 VanDerWaalsContact O-N 3.12Å; V99-K190 HydrophobicContact CG2-CD 4.14Å; V99-F192 HydrophobicContact CB-CZ 4.3Å; V99-F192 HydrophobicContact CG1-CZ 4.27Å
100P94.9Very high93.1Very high85 Ų8573.2 Ų73.255%0.55238%0.381SS*.SBendtrans-75.11.8-176.231.2-37000114.6D141 A144P100-D141 HydrophobicContact CB-CB 4.23Å; P100-D141 PolarHBondContact O-N 2.86Å; P100-A144 HydrophobicContact CG-CB 3.77Å
101Y95.6Very high93.2Very high5 Ų572.3 Ų72.32%0.0237%0.374CS..EExtended strand (participates in β ladder)trans-131.5157.2179.755.6-100000110.4V99 D139 D141 A144 L145 D148 F192V99-Y101 HydrophobicContact CG1-CD1 3.55Å; V99-Y101 HydrophobicContact CG1-CD2 3.69Å; V99-Y101 HydrophobicContact CG1-CE1 3.25Å; V99-Y101 HydrophobicContact CG1-CE2 3.43Å; V99-Y101 VanDerWaalsContact CG1-CE2 3.43Å; V99-Y101 HydrophobicContact CG1-CG 3.76Å; V99-Y101 PolarHBondContact O-N 2.92Å; V99-Y101 VanDerWaalsContact O-N 3.12Å; Y101-D139 CarbonylContact C-O 3.57Å; Y101-D139 WeakPolarHBondContact CA-O 3.31Å; Y101-D141 WeakPolarHBondContact CB-O 3.31Å; Y101-A144 HydrophobicContact CD1-CB 3.87Å; Y101-A144 HydrophobicContact CE1-CB 4.19Å; Y101-L145 HydrophobicContact CD1-CB 3.79Å; Y101-L145 HydrophobicContact CD1-CG 4.47Å; Y101-L145 HydrophobicContact CD2-CB 3.94Å; Y101-L145 HydrophobicContact CD2-CD1 3.55Å; Y101-L145 HydrophobicContact CD2-CG 3.8Å; Y101-L145 VanDerWaalsContact CE1-CA 3.49Å; Y101-L145 HydrophobicContact CE1-CB 3.92Å; Y101-L145 HydrophobicContact CE1-CG 4.36Å; Y101-L145 HydrophobicContact CE2-CB 4.03Å; Y101-L145 HydrophobicContact CE2-CD1 3.75Å; Y101-L145 HydrophobicContact CE2-CG 3.63Å; Y101-L145 HydrophobicContact CG-CB 3.81Å; Y101-L145 HydrophobicContact CG-CD1 4.16Å; Y101-L145 HydrophobicContact CG-CG 4.22Å; Y101-D148 PolarHBondContact OH-OD2 3.31Å; Y101-F192 HydrophobicContact CD2-CE2 4.06Å; Y101-F192 AromaticContact CD2-CZ 3.95Å; Y101-F192 HydrophobicContact CD2-CZ 3.95Å; Y101-F192 AromaticContact CE2-CE2 3.67Å; Y101-F192 HydrophobicContact CE2-CE2 3.67Å; Y101-F192 AromaticContact CE2-CZ 3.98Å; Y101-F192 HydrophobicContact CE2-CZ 3.98Å; Y101-F192 VanDerWaalsContact O-CZ 3.22Å; Y101-F192 WeakPolarHBondContact O-CZ 3.44Å
102S95.3Very high93.4Very high56 Ų5669.1 Ų69.139%0.39235%0.353SS..EExtended strand (participates in β ladder)trans-130.8137179-171.70000110.3V138 D139S102-V138 CarbonylContact O-C 3.45Å; S102-V138 WeakPolarHBondContact O-CA 3.4Å; S102-D139 PolarHBondContact N-O 2.67Å; S102-D139 PolarHBondContact O-N 3.44Å
103V96.4Very high93.7Very high3 Ų366.6 Ų66.62%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-113.7109.9174.3-177.20000108.9P112 I135 V138 L145 L187 F192V103-P112 HydrophobicContact CG1-CG 3.47Å; V103-P112 VanDerWaalsContact CG1-CG 3.47Å; V103-I135 HydrophobicContact CG1-CG2 4.43Å; V103-V138 HydrophobicContact CG2-CG2 4.36Å; V103-L145 HydrophobicContact CG2-CD1 3.61Å; V103-L187 HydrophobicContact CB-CD2 4.42Å; V103-L187 HydrophobicContact CG1-CD1 4.3Å; V103-L187 HydrophobicContact CG2-CD2 3.84Å; V103-F192 HydrophobicContact CB-CB 4.12Å; V103-F192 HydrophobicContact CB-CD1 4.31Å; V103-F192 HydrophobicContact CB-CD2 4.43Å; V103-F192 HydrophobicContact CB-CG 4.03Å; V103-F192 HydrophobicContact CG2-CD2 4.39Å; V103-F192 HydrophobicContact CG2-CG 4.45Å
104R95.5Very high94.1Very high117 Ų11767 Ų6744%0.44233%0.331SS..PPolyproline II helixtrans-79.7135.1-177.4-170.4-179.760.781.48111.1P112 H137R104-P112 WeakPolarHBondContact O-CG 3.13Å; R104-H137 HydrophobicContact CB-CB 4.09Å; R104-H137 PolarHBondContact N-O 2.91Å; R104-H137 PolarHBondContact NH2-CE1 2.92Å; R104-H137 VanDerWaalsContact NH2-CG 3.35Å; R104-H137 PolarHBondContact NH2-ND1 3.33Å
105R95.6Very high94.4Very high28 Ų2864 Ų6411%0.10631%0.314CS..PPolyproline II helixtrans-58150.1171.6-64.4-68.1-177.2104.5-0.1111.8I89 H109 F192I89-R105 PolarHBondContact O-NH1 3.48Å; I89-R105 PolarHBondContact O-NH2 3.17Å; R105-H109 PolarHBondContact NH1-O 3.42Å; R105-F192 PolarHBondContact NE-O 3.16Å; R105-F192 PolarHBondContact NE-OXT 3.4Å; R105-F192 PolarHBondContact NH2-O 3.13Å
106S95.5Very high94.7Very high15 Ų1561.6 Ų61.611%0.10531%0.307CS..PPolyproline II helixtrans-66168.8171.466.30000111.3N108 H109 M110S106-N108 PolarHBondContact O-N 3.15Å; S106-H109 WeakPolarHBondContact O-CA 3.47Å; S106-H109 PolarHBondContact O-N 3.22Å; S106-M110 WeakPolarHBondContact CB-O 3.16Å; S106-M110 PolarHBondContact N-O 3.13Å; S106-M110 PolarHBondContact OG-N 2.99Å; S106-M110 PolarHBondContact OG-O 3.02Å
107K93.8Very high95Very high154 Ų15465.6 Ų65.667%0.6732%0.322SS*.THydrogen-bonded Turntrans-57-23.217766.3175.6-172.8175.60114.3I74 H109I74-K107 HydrophobicContact CD1-CB 3.9Å; I74-K107 HydrophobicContact CD1-CD 3.88Å; I74-K107 HydrophobicContact CD1-CG 3.89Å; K107-H109 VanDerWaalsContact C-N 3.3Å
108N93.8Very high95.1Very high93 Ų9363.7 Ų63.750%0.49731%0.314SS..THydrogen-bonded Turntrans-93.714.7177.3-63.3-5.5000111.9S106 M110S106-N108 PolarHBondContact O-N 3.15Å; N108-M110 HydrophobicContact CB-CG 4.34Å; N108-M110 PolarHBondContact O-N 3.07Å
109H94.3Very high95.2Very high44 Ų4463.3 Ų63.320%0.20431%0.307CS..SBendtrans63.118.3-178.5-44.5-65000115P75 F76 P77 W88 R105 S106 K107P75-H109 PolarHBondContact O-NE2 3.19Å; F76-H109 AromaticContact CD2-CE1 3.64Å; P77-H109 WeakPolarHBondContact CD-CD2 3.49Å; P77-H109 WeakPolarHBondContact CD-NE2 3.46Å; P77-H109 HydrophobicContact CG-CB 4.2Å; W88-H109 HydrophobicContact CZ2-CB 4.09Å; W88-H109 PolarHBondContact NE1-O 2.97Å; R105-H109 PolarHBondContact NH1-O 3.42Å; S106-H109 WeakPolarHBondContact O-CA 3.47Å; S106-H109 PolarHBondContact O-N 3.22Å; K107-H109 VanDerWaalsContact C-N 3.3Å
110M95.2Very high95Very high102 Ų10266.6 Ų66.650%0.50232%0.317SS..  trans-95155.3177.1-58.6-57.5-6800111.9S106 N108S106-M110 WeakPolarHBondContact CB-O 3.16Å; S106-M110 PolarHBondContact N-O 3.13Å; S106-M110 PolarHBondContact OG-N 2.99Å; S106-M110 PolarHBondContact OG-O 3.02Å; N108-M110 HydrophobicContact CB-CG 4.34Å; N108-M110 PolarHBondContact O-N 3.07Å
111L96.1Very high94.6Very high26 Ų2668.8 Ų68.814%0.13632%0.318CS..  trans-61.6135.5171.8-78.3173.3000111.3V113 A184 L187 L188 F192L111-V113 HydrophobicContact CB-CG2 4.39Å; L111-V113 PolarHBondContact O-N 3.47Å; L111-A184 HydrophobicContact CD1-CB 4.28Å; L111-L187 HydrophobicContact CD1-CB 4.24Å; L111-L187 HydrophobicContact CD2-CB 4.08Å; L111-L187 HydrophobicContact CD2-CD1 4.35Å; L111-L188 HydrophobicContact CD1-CD1 4.41Å; L111-L188 HydrophobicContact CD1-CD2 3.77Å; L111-L188 HydrophobicContact CD1-CG 3.69Å; L111-L188 HydrophobicContact CG-CD2 4.48Å; L111-F192 HydrophobicContact CD2-CB 4.44Å
112P96.8Very high94.1Very high0 Ų078.3 Ų78.30%036%0.36CS..  trans-82.446-176.437.9-40.7000112.6V103 R104 Y114 I135 R136V103-P112 HydrophobicContact CG1-CG 3.47Å; V103-P112 VanDerWaalsContact CG1-CG 3.47Å; R104-P112 WeakPolarHBondContact O-CG 3.13Å; P112-Y114 HydrophobicContact CB-CE2 4.13Å; P112-I135 WeakPolarHBondContact O-CA 3.4Å; P112-R136 HydrophobicContact CB-CB 4.17Å; P112-R136 WeakPolarHBondContact CB-O 3.01Å; P112-R136 WeakPolarHBondContact CG-O 3.36Å; P112-R136 PolarHBondContact O-N 3.4Å
113V97.6Very high93.7Very high7 Ų784.4 Ų84.44%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-107.5115.7179.1-171.80000108.9L111 Q180 V183 L187L111-V113 HydrophobicContact CB-CG2 4.39Å; L111-V113 PolarHBondContact O-N 3.47Å; V113-Q180 HydrophobicContact CG1-CG 4.01Å; V113-Q180 PolarHBondContact O-NE2 3.04Å; V113-Q180 VanDerWaalsContact O-NE2 3.15Å; V113-V183 HydrophobicContact CG1-CB 4.15Å; V113-V183 HydrophobicContact CG1-CG1 3.9Å; V113-V183 HydrophobicContact CG2-CG1 3.88Å; V113-L187 HydrophobicContact CG2-CD1 3.54Å
114Y97.5Very high93.2Very high91 Ų9187.8 Ų87.836%0.35740%0.395SS..EExtended strand (participates in β ladder)trans-123.8143.5-172.8-55.8-73.9000111.4P112 T133 V134 R136P112-Y114 HydrophobicContact CB-CE2 4.13Å; Y114-T133 WeakPolarHBondContact O-CA 3.23Å; Y114-V134 PolarHBondContact N-O 3.3Å; Y114-V134 PolarHBondContact O-N 2.96Å; Y114-R136 HydrophobicContact CD2-CG 4.11Å; Y114-R136 HydrophobicContact CE2-CB 4.44Å; Y114-R136 HydrophobicContact CE2-CG 4.13Å
115Y97.2Very high92.3Very high76 Ų7690.3 Ų90.330%0.29841%0.411SS..EExtended strand (participates in β ladder)trans-81136.4163.4174.9-110000110.1E117 Q131 L178Y115-E117 HydrophobicContact CD1-CG 4.49Å; Y115-E117 HydrophobicContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-OE1 3.24Å; Y115-E117 WeakPolarHBondContact CE1-OE1 3.33Å; Y115-E117 HydrophobicContact CE2-CG 4.34Å; Y115-E117 VanDerWaalsContact CZ-OE1 3.28Å; Y115-E117 WeakPolarHBondContact OH-CG 3.41Å; Y115-E117 PolarHBondContact OH-OE1 3.01Å; Y115-Q131 HydrophobicContact CE2-CB 3.85Å; Y115-Q131 HydrophobicContact CE2-CG 3.88Å; Y115-Q131 VanDerWaalsContact OH-CG 3.31Å; Y115-Q131 WeakPolarHBondContact OH-CG 3.19Å; Y115-Q131 PolarHBondContact OH-NE2 2.93Å; Y115-L178 HydrophobicContact CD2-CD1 4.05Å; Y115-L178 HydrophobicContact CD2-CG 4.35Å; Y115-L178 HydrophobicContact CE2-CD1 3.73Å; Y115-L178 HydrophobicContact CE2-CG 4.35Å
116A95.8Very high91.8Very high34 Ų3492.5 Ų92.528%0.28143%0.428SS..EExtended strand (participates in β ladder)trans-136.6127.4174.600000110.5L132 V134A116-L132 HydrophobicContact CB-CB 4.34Å; A116-L132 PolarHBondContact N-O 3.12Å; A116-L132 WeakPolarHBondContact O-CB 3.23Å; A116-L132 PolarHBondContact O-N 3.42Å; A116-V134 HydrophobicContact CB-CG2 3.85Å
117E95.1Very high91.2Very high116 Ų116100.5 Ų100.554%0.54246%0.463SS..EExtended strand (participates in β ladder)trans-96.2131.9168.7-69-178.2-165.900110.1Y115 R130Y115-E117 HydrophobicContact CD1-CG 4.49Å; Y115-E117 HydrophobicContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-CG 3.45Å; Y115-E117 VanDerWaalsContact CE1-OE1 3.24Å; Y115-E117 WeakPolarHBondContact CE1-OE1 3.33Å; Y115-E117 HydrophobicContact CE2-CG 4.34Å; Y115-E117 VanDerWaalsContact CZ-OE1 3.28Å; Y115-E117 WeakPolarHBondContact OH-CG 3.41Å; Y115-E117 PolarHBondContact OH-OE1 3.01Å; E117-R130 WeakPolarHBondContact CA-O 3.5Å
118K92.8Very high91Very high117 Ų11795 Ų9551%0.50945%0.45SS..EExtended strand (participates in β ladder)trans-128.6135.4176.3-170.4175179.7171.20109.9R120 T129 R130 L132K118-R120 PolarHBondContact O-N 3.09Å; K118-T129 CarbonylContact O-C 3.55Å; K118-T129 WeakPolarHBondContact O-CA 3.21Å; K118-R130 PolarHBondContact N-O 3.41Å; K118-R130 PolarHBondContact O-N 3.29Å; K118-L132 HydrophobicContact CB-CD1 4.33Å
119Q91.4Very high90.9Very high138 Ų13893.4 Ų93.465%0.64544%0.444SS*.EExtended strand (participates in β ladder)trans-59.6133.2170.2-66.7-65.6-17.300109.9G128Q119-G128 PolarHBondContact OE1-O 2.93Å
120R89.3Confident90.7Very high91 Ų9194.5 Ų94.534%0.34345%0.446SS..PPolyproline II helixtrans-59.1143.5174.8-76.8-167.6168.2131.8-2.8110.1K118 E124 T126 G128 R130K118-R120 PolarHBondContact O-N 3.09Å; R120-E124 WeakPolarHBondContact CB-OE2 3.41Å; R120-E124 WeakPolarHBondContact CG-OE2 3.34Å; R120-T126 WeakPolarHBondContact CB-O 3.36Å; R120-T126 VanDerWaalsContact NH1-CG2 3.34Å; R120-G128 WeakPolarHBondContact CB-O 3.33Å; R120-G128 PolarHBondContact N-O 3.08Å; R120-R130 HydrophobicContact CG-CB 4.23Å
121K86.9Confident90.6Very high131 Ų13193.5 Ų93.557%0.5744%0.44SS*.PPolyproline II helixtrans-70.3143.7179-68179.3-179.1175.30108.8K123 E124K121-K123 PolarHBondContact O-N 3.02Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 WeakPolarHBondContact O-CB 3.4Å; K121-E124 PolarHBondContact O-N 3.36Å
122K83.4Confident90.6Very high206 Ų20693.2 Ų93.290%0.89644%0.439SS*.G310 helixtrans-52.1-29.9175.7-167.5175.4-178.5179.50113.2E124 H125K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 3.17Å; K122-H125 PolarHBondContact O-N 3.36Å
123K88Confident90.6Very high184 Ų18493.2 Ų93.280%0.844%0.439SS*.G310 helixtrans-66.6-22.3177.1-170.4175.7178.8-178.60114.2K121 H125K121-K123 PolarHBondContact O-N 3.02Å; K123-H125 PolarHBondContact O-CD2 2.94Å; K123-H125 VanDerWaalsContact O-CD2 3.25Å; K123-H125 PolarHBondContact O-N 3.36Å
124E84.7Confident90.6Very high74 Ų7493.5 Ų93.535%0.34644%0.44SS..G310 helixtrans-79.4-2.6-179.7-66.1164.8-158.600112.4R120 K121 K122 T126R120-E124 WeakPolarHBondContact CB-OE2 3.41Å; R120-E124 WeakPolarHBondContact CG-OE2 3.34Å; K121-E124 HydrophobicContact CB-CG 4.36Å; K121-E124 WeakPolarHBondContact O-CB 3.4Å; K121-E124 PolarHBondContact O-N 3.36Å; K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 3.17Å; E124-T126 PolarHBondContact O-N 3.38Å; E124-T126 PolarHBondContact O-OG1 3.38Å
125H78.6Confident90.7Very high170 Ų17089.2 Ų89.279%0.78742%0.423SS*.  trans50.618.7-179.5-65.9-79.7000115K122 K123K122-H125 PolarHBondContact O-N 3.36Å; K123-H125 PolarHBondContact O-CD2 2.94Å; K123-H125 VanDerWaalsContact O-CD2 3.25Å; K123-H125 PolarHBondContact O-N 3.36Å
126T83.6Confident90.7Very high74 Ų7491.7 Ų91.745%0.45443%0.432SS..  trans-126.3126.4-177.1-52.10000108.2R120 E124R120-T126 WeakPolarHBondContact CB-O 3.36Å; R120-T126 VanDerWaalsContact NH1-CG2 3.34Å; E124-T126 PolarHBondContact O-N 3.38Å; E124-T126 PolarHBondContact O-OG1 3.38Å
127H82.6Confident90.7Very high183 Ų18392.5 Ų92.585%0.84743%0.43SS*.  trans-76.9158.7175.1-62-71.1000110.9
128G89.7Confident90.8Very high38 Ų3887 Ų8739%0.39241%0.405SS..SBendtrans109.7-175.7174.100000114.8Q119 R120Q119-G128 PolarHBondContact OE1-O 2.93Å; R120-G128 WeakPolarHBondContact CB-O 3.33Å; R120-G128 PolarHBondContact N-O 3.08Å
129T92.6Very high90.9Very high60 Ų6083.9 Ų83.937%0.36839%0.393SS..EExtended strand (participates in β ladder)trans-96.5149.7179.252.40000110.9K118K118-T129 CarbonylContact O-C 3.55Å; K118-T129 WeakPolarHBondContact O-CA 3.21Å
130R90.4Very high91.1Very high66 Ų6680 Ų8025%0.24939%0.391CS..EExtended strand (participates in β ladder)trans-105.8126.7170.2179.4174.1173.7165.7-0.3108E117 K118 R120 L132 E176E117-R130 WeakPolarHBondContact CA-O 3.5Å; K118-R130 PolarHBondContact N-O 3.41Å; K118-R130 PolarHBondContact O-N 3.29Å; R120-R130 HydrophobicContact CG-CB 4.23Å; R130-L132 HydrophobicContact CG-CD2 3.96Å; R130-L132 HydrophobicContact CG-CG 4.26Å; R130-L132 VanDerWaalsContact NE-CD2 3.27Å; R130-E176 HydrophobicContact CG-CG 4.3Å; R130-E176 IonicContact CZ-OE1 3.6Å; R130-E176 IonicContact CZ-OE2 2.98Å; R130-E176 IonicContact NE-OE1 3.37Å; R130-E176 PolarHBondContact NE-OE1 3.27Å; R130-E176 IonicContact NE-OE2 3.45Å; R130-E176 PolarHBondContact NE-OE2 3.03Å; R130-E176 IonicContact NH1-OE2 3.57Å; R130-E176 IonicContact NH2-OE1 3.98Å; R130-E176 IonicContact NH2-OE2 2.64Å; R130-E176 PolarHBondContact NH2-OE2 2.95Å
131Q93.6Very high91.3Very high81 Ų8179.5 Ų79.538%0.37940%0.395SS..EExtended strand (participates in β ladder)trans-83.8132.5171.6-63.7-173.1-29.200109.1Y115 G177Y115-Q131 HydrophobicContact CE2-CB 3.85Å; Y115-Q131 HydrophobicContact CE2-CG 3.88Å; Y115-Q131 VanDerWaalsContact OH-CG 3.31Å; Y115-Q131 WeakPolarHBondContact OH-CG 3.19Å; Y115-Q131 PolarHBondContact OH-NE2 2.93Å; Q131-G177 PolarHBondContact O-N 3.39Å
132L95.5Very high91.7Very high21 Ų2174.1 Ų74.111%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-130.1141.5178.6-61.9173.8000109.5A116 K118 R130 V134 I175 G177A116-L132 HydrophobicContact CB-CB 4.34Å; A116-L132 PolarHBondContact N-O 3.12Å; A116-L132 WeakPolarHBondContact O-CB 3.23Å; A116-L132 PolarHBondContact O-N 3.42Å; K118-L132 HydrophobicContact CB-CD1 4.33Å; R130-L132 HydrophobicContact CG-CD2 3.96Å; R130-L132 HydrophobicContact CG-CG 4.26Å; R130-L132 VanDerWaalsContact NE-CD2 3.27Å; L132-V134 HydrophobicContact CB-CG2 4.31Å; L132-I175 CarbonylContact C-O 3.59Å; L132-I175 VanDerWaalsContact CA-O 3.25Å; L132-I175 WeakPolarHBondContact CA-O 3.32Å; L132-G177 CarbonylContact C-O 3.59Å
133T97.5Very high92.3Very high0 Ų068.4 Ų68.40%035%0.348CS..EExtended strand (participates in β ladder)trans-98.8126.2159.344.90000109.7Y114 K174 I175 G177 F179 Q180Y114-T133 WeakPolarHBondContact O-CA 3.23Å; T133-K174 WeakPolarHBondContact O-CA 3.3Å; T133-I175 PolarHBondContact N-O 2.63Å; T133-I175 PolarHBondContact O-N 2.9Å; T133-I175 WeakPolarHBondContact OG1-CB 3.5Å; T133-G177 PolarHBondContact N-O 3.08Å; T133-F179 HydrophobicContact CG2-CB 4.21Å; T133-Q180 HydrophobicContact CG2-CB 4.24Å
134V97.4Very high92.6Very high13 Ų1360.5 Ų60.58%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-117.4117.7-176.4-175.20000108.7Y114 A116 L132 R136 I173 K174Y114-V134 PolarHBondContact N-O 3.3Å; Y114-V134 PolarHBondContact O-N 2.96Å; A116-V134 HydrophobicContact CB-CG2 3.85Å; L132-V134 HydrophobicContact CB-CG2 4.31Å; V134-R136 HydrophobicContact CG1-CG 4.15Å; V134-I173 WeakPolarHBondContact CA-O 3.38Å; V134-K174 HydrophobicContact CG1-CG 4.31Å; V134-K174 HydrophobicContact CG2-CG 4.23Å
135I97.8Very high93.2Very high0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-99.4128.1172.9-50.9170.7000107.1V103 P112 V138 L145 L149 C172 I173 I175 V183V103-I135 HydrophobicContact CG1-CG2 4.43Å; P112-I135 WeakPolarHBondContact O-CA 3.4Å; I135-V138 HydrophobicContact CG2-CG2 3.79Å; I135-L145 HydrophobicContact CD1-CD2 4.36Å; I135-L149 HydrophobicContact CD1-CD1 3.34Å; I135-C172 CarbonylContact O-C 3.56Å; I135-C172 VanDerWaalsContact O-CA 3.23Å; I135-C172 WeakPolarHBondContact O-CA 3.28Å; I135-I173 HydrophobicContact CB-CB 4.36Å; I135-I173 PolarHBondContact N-O 3.19Å; I135-I173 PolarHBondContact O-N 2.97Å; I135-I175 HydrophobicContact CD1-CD1 4.44Å; I135-V183 HydrophobicContact CD1-CG1 3.46Å; I135-V183 VanDerWaalsContact CD1-CG1 3.46Å; I135-V183 HydrophobicContact CG1-CG1 3.89Å
136R97.3Very high94Very high128 Ų12849.3 Ų49.348%0.48327%0.267SS..EExtended strand (participates in β ladder)trans-113.8168.3178.5-57.7-171.7174.8-156.1-0.7111.3P112 Y114 V134 V138 R171P112-R136 HydrophobicContact CB-CB 4.17Å; P112-R136 WeakPolarHBondContact CB-O 3.01Å; P112-R136 WeakPolarHBondContact CG-O 3.36Å; P112-R136 PolarHBondContact O-N 3.4Å; Y114-R136 HydrophobicContact CD2-CG 4.11Å; Y114-R136 HydrophobicContact CE2-CB 4.44Å; Y114-R136 HydrophobicContact CE2-CG 4.13Å; V134-R136 HydrophobicContact CG1-CG 4.15Å; R136-V138 VanDerWaalsContact C-N 3.28Å; R136-V138 PolarHBondContact O-N 3.38Å; R136-R171 CarbonylContact C-O 3.51Å
137H96.6Very high94.6Very high52 Ų5250.2 Ų50.224%0.24127%0.269CS..  trans58.940174.1-50.7-43.2000113R104 R171R104-H137 HydrophobicContact CB-CB 4.09Å; R104-H137 PolarHBondContact N-O 2.91Å; R104-H137 PolarHBondContact NH2-CE1 2.92Å; R104-H137 VanDerWaalsContact NH2-CG 3.35Å; R104-H137 PolarHBondContact NH2-ND1 3.33Å; H137-R171 PolarHBondContact N-O 2.7Å; H137-R171 VanDerWaalsContact N-O 3.09Å
138V97Very high95.3Very high0 Ų044 Ų440%024%0.243CC..EExtended strand (participates in β ladder)trans-86.1121.2172-172.10000108.6S102 V103 I135 R136 M142 L145 R171 I173S102-V138 CarbonylContact O-C 3.45Å; S102-V138 WeakPolarHBondContact O-CA 3.4Å; V103-V138 HydrophobicContact CG2-CG2 4.36Å; I135-V138 HydrophobicContact CG2-CG2 3.79Å; R136-V138 VanDerWaalsContact C-N 3.28Å; R136-V138 PolarHBondContact O-N 3.38Å; V138-M142 HydrophobicContact CB-CG 4Å; V138-M142 HydrophobicContact CB-SD 4.48Å; V138-M142 HydrophobicContact CG1-CG 3.55Å; V138-L145 HydrophobicContact CG1-CD1 3.56Å; V138-L145 HydrophobicContact CG2-CD1 4.13Å; V138-R171 PolarHBondContact N-O 3.26Å; V138-R171 VanDerWaalsContact O-CB 3.23Å; V138-R171 WeakPolarHBondContact O-CB 3.41Å; V138-R171 WeakPolarHBondContact O-CD 3.37Å; V138-R171 WeakPolarHBondContact O-CG 3.41Å; V138-I173 HydrophobicContact CG1-CD1 4.48Å; V138-I173 HydrophobicContact CG2-CD1 4.3Å
139D95.1Very high95.6Very high51 Ų5142.2 Ų42.227%0.27322%0.224SC..EExtended strand (participates in β ladder)trans-113.1158175.7-65.5-51.3000109.3Y101 S102 R171Y101-D139 CarbonylContact C-O 3.57Å; Y101-D139 WeakPolarHBondContact CA-O 3.31Å; S102-D139 PolarHBondContact N-O 2.67Å; S102-D139 PolarHBondContact O-N 3.44Å; D139-R171 WeakPolarHBondContact OD1-CD 3.47Å; D139-R171 IonicContact OD1-CZ 3.5Å; D139-R171 IonicContact OD1-NE 3.69Å; D139-R171 IonicContact OD1-NH1 3.66Å; D139-R171 PolarHBondContact OD1-NH1 2.93Å; D139-R171 IonicContact OD2-NH1 3.42Å
140G94.7Very high95.7Very high58 Ų5845.9 Ų45.960%0.59823%0.231SC*.EExtended strand (participates in β ladder)trans79.4-149-176.100000113.5M142G140-M142 PolarHBondContact O-N 2.72Å; G140-M142 VanDerWaalsContact O-N 3.08Å
141D95Very high95.9Very high79 Ų7947.9 Ų47.942%0.42225%0.25SS..  trans-77.293.1-176.1-172.6-5.1000112.5P100 Y101 Q143 A144 L145P100-D141 HydrophobicContact CB-CB 4.23Å; P100-D141 PolarHBondContact O-N 2.86Å; Y101-D141 WeakPolarHBondContact CB-O 3.31Å; D141-Q143 VanDerWaalsContact C-N 3.27Å; D141-Q143 PolarHBondContact O-N 3.01Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.22Å; D141-Q143 PolarHBondContact OD1-N 2.8Å; D141-A144 HydrophobicContact CB-CB 4.02Å; D141-A144 PolarHBondContact O-N 3.01Å; D141-A144 PolarHBondContact OD1-N 3.12Å; D141-A144 WeakPolarHBondContact OD2-CB 3.39Å; D141-L145 PolarHBondContact O-N 3.47Å
142M94.8Very high96Very high18 Ų1847.4 Ų47.49%0.08925%0.25CS..Hα-helixtrans-64-29178.1-80.5172.8-77.500113.7V138 G140 L145 A146 E168V138-M142 HydrophobicContact CB-CG 4Å; V138-M142 HydrophobicContact CB-SD 4.48Å; V138-M142 HydrophobicContact CG1-CG 3.55Å; G140-M142 PolarHBondContact O-N 2.72Å; G140-M142 VanDerWaalsContact O-N 3.08Å; M142-L145 PolarHBondContact O-N 2.78Å; M142-A146 PolarHBondContact O-N 2.83Å; M142-E168 HydrophobicContact CE-CB 3.42Å; M142-E168 VanDerWaalsContact CE-CB 3.42Å; M142-E168 HydrophobicContact CE-CG 3.61Å; M142-E168 HydrophobicContact SD-CB 4.3Å; M142-E168 HydrophobicContact SD-CG 4.32Å
143Q95.1Very high95.9Very high86 Ų8646.5 Ų46.540%0.40225%0.246SC..Hα-helixtrans-72.3-38.1-179.8-59.6-61.8-25.300110.4D141 L145 A146 N147 E168D141-Q143 VanDerWaalsContact C-N 3.27Å; D141-Q143 PolarHBondContact O-N 3.01Å; D141-Q143 WeakPolarHBondContact OD1-CB 3.22Å; D141-Q143 PolarHBondContact OD1-N 2.8Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.37Å; Q143-A146 PolarHBondContact O-N 2.82Å; Q143-N147 VanDerWaalsContact O-CG 3.28Å; Q143-N147 PolarHBondContact O-N 3.15Å; Q143-N147 PolarHBondContact O-ND2 3.25Å; Q143-E168 PolarHBondContact NE2-OE1 3.35Å
144A96.1Very high95.7Very high18 Ų1849.6 Ų49.615%0.14926%0.26CS..Hα-helixtrans-58.3-43.9171.400000111.7P100 Y101 D141 A146 N147 D148P100-A144 HydrophobicContact CG-CB 3.77Å; Y101-A144 HydrophobicContact CD1-CB 3.87Å; Y101-A144 HydrophobicContact CE1-CB 4.19Å; D141-A144 HydrophobicContact CB-CB 4.02Å; D141-A144 PolarHBondContact O-N 3.01Å; D141-A144 PolarHBondContact OD1-N 3.12Å; D141-A144 WeakPolarHBondContact OD2-CB 3.39Å; A144-A146 PolarHBondContact O-N 2.8Å; A144-N147 PolarHBondContact O-N 3.32Å; A144-D148 PolarHBondContact O-N 2.97Å
145L96.5Very high95.4Very high0 Ų054 Ų540%029%0.289CS..Hα-helixtrans-60.4-46.6174.3-161.1162.9000111Y101 V103 I135 V138 D141 M142 Q143 N147 D148 L149 I173Y101-L145 HydrophobicContact CD1-CB 3.79Å; Y101-L145 HydrophobicContact CD1-CG 4.47Å; Y101-L145 HydrophobicContact CD2-CB 3.94Å; Y101-L145 HydrophobicContact CD2-CD1 3.55Å; Y101-L145 HydrophobicContact CD2-CG 3.8Å; Y101-L145 VanDerWaalsContact CE1-CA 3.49Å; Y101-L145 HydrophobicContact CE1-CB 3.92Å; Y101-L145 HydrophobicContact CE1-CG 4.36Å; Y101-L145 HydrophobicContact CE2-CB 4.03Å; Y101-L145 HydrophobicContact CE2-CD1 3.75Å; Y101-L145 HydrophobicContact CE2-CG 3.63Å; Y101-L145 HydrophobicContact CG-CB 3.81Å; Y101-L145 HydrophobicContact CG-CD1 4.16Å; Y101-L145 HydrophobicContact CG-CG 4.22Å; V103-L145 HydrophobicContact CG2-CD1 3.61Å; I135-L145 HydrophobicContact CD1-CD2 4.36Å; V138-L145 HydrophobicContact CG1-CD1 3.56Å; V138-L145 HydrophobicContact CG2-CD1 4.13Å; D141-L145 PolarHBondContact O-N 3.47Å; M142-L145 PolarHBondContact O-N 2.78Å; Q143-L145 VanDerWaalsContact C-N 3.32Å; Q143-L145 PolarHBondContact O-N 3.37Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.39Å; L145-D148 PolarHBondContact O-N 3.2Å; L145-L149 HydrophobicContact CD2-CD1 3.23Å; L145-L149 HydrophobicContact CD2-CD2 4.4Å; L145-L149 HydrophobicContact CD2-CG 3.53Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.94Å; L145-I173 HydrophobicContact CB-CD1 4.03Å; L145-I173 HydrophobicContact CD1-CD1 4.23Å; L145-I173 HydrophobicContact CD2-CD1 3.61Å; L145-I173 HydrophobicContact CG-CD1 4.15Å
146A96.2Very high95.1Very high9 Ų959.4 Ų59.47%0.07431%0.312CS..Hα-helixtrans-60.9-36.4-179.900000112.5M142 Q143 A144 R150M142-A146 PolarHBondContact O-N 2.83Å; Q143-A146 PolarHBondContact O-N 2.82Å; A144-A146 PolarHBondContact O-N 2.8Å; A146-R150 WeakPolarHBondContact O-CB 3.08Å; A146-R150 PolarHBondContact O-N 3.45Å
147N95.9Very high94.6Very high93 Ų9354.3 Ų54.350%0.49730%0.296SS..Hα-helixtrans-70.1-41.8176.1-70.1-27.6000112.6Q143 A144 L145 R150 T151Q143-N147 VanDerWaalsContact O-CG 3.28Å; Q143-N147 PolarHBondContact O-N 3.15Å; Q143-N147 PolarHBondContact O-ND2 3.25Å; A144-N147 PolarHBondContact O-N 3.32Å; L145-N147 VanDerWaalsContact C-N 3.28Å; L145-N147 PolarHBondContact O-N 3.39Å; N147-R150 WeakPolarHBondContact O-CB 3.22Å; N147-R150 PolarHBondContact O-N 2.99Å; N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.86Å
148D96Very high93.7Very high54 Ų5462 Ų6229%0.28933%0.332SS..Hα-helixtrans-60.7-47173.9-87.821.5000110.5Y101 A144 L145 R150 T151 L152 F186 K190Y101-D148 PolarHBondContact OH-OD2 3.31Å; A144-D148 PolarHBondContact O-N 2.97Å; L145-D148 PolarHBondContact O-N 3.2Å; D148-R150 VanDerWaalsContact C-N 3.34Å; D148-R150 PolarHBondContact O-N 3.4Å; D148-T151 PolarHBondContact O-N 3.18Å; D148-L152 WeakPolarHBondContact O-CG 3.47Å; D148-L152 PolarHBondContact O-N 3.38Å; D148-L152 VanDerWaalsContact O-N 3.17Å; D148-F186 HydrophobicContact CB-CE1 4.31Å; D148-F186 HydrophobicContact CB-CZ 3.9Å; D148-K190 IonicContact OD2-NZ 2.82Å; D148-K190 PolarHBondContact OD2-NZ 3.11Å
149L96.1Very high92.7Very high0 Ų065.7 Ų65.70%036%0.362CS..Hα-helixtrans-64.3-37.7176.6-70.1-174.2000112.9I135 L145 T151 L152 L153 F162 I175 V183 F186I135-L149 HydrophobicContact CD1-CD1 3.34Å; L145-L149 HydrophobicContact CD2-CD1 3.23Å; L145-L149 HydrophobicContact CD2-CD2 4.4Å; L145-L149 HydrophobicContact CD2-CG 3.53Å; L145-L149 WeakPolarHBondContact O-CG 3.35Å; L145-L149 PolarHBondContact O-N 2.94Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 3.49Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.08Å; L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å; L149-F162 HydrophobicContact CB-CZ 4.13Å; L149-I175 HydrophobicContact CB-CD1 4.4Å; L149-I175 HydrophobicContact CD1-CD1 3.58Å; L149-V183 HydrophobicContact CD2-CG1 4.48Å; L149-V183 HydrophobicContact CD2-CG2 4.25Å; L149-F186 HydrophobicContact CD2-CD1 3.65Å; L149-F186 HydrophobicContact CD2-CE1 3.94Å
150R95.3Very high91.9Very high136 Ų13664.6 Ų64.651%0.51336%0.364SS..Hα-helixtrans-57.1-50.1173.5-176.6171.9-174.3169.70.2109.9A146 N147 D148 L152 L153 Q154 F162A146-R150 WeakPolarHBondContact O-CB 3.08Å; A146-R150 PolarHBondContact O-N 3.45Å; N147-R150 WeakPolarHBondContact O-CB 3.22Å; N147-R150 PolarHBondContact O-N 2.99Å; D148-R150 VanDerWaalsContact C-N 3.34Å; D148-R150 PolarHBondContact O-N 3.4Å; R150-L152 VanDerWaalsContact C-N 3.25Å; R150-L152 PolarHBondContact O-N 3.03Å; R150-L153 PolarHBondContact O-N 3.19Å; R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 2.63Å; R150-F162 HydrophobicContact CB-CD1 3.55Å; R150-F162 HydrophobicContact CB-CE1 3.54Å; R150-F162 HydrophobicContact CB-CG 4.28Å; R150-F162 HydrophobicContact CB-CZ 4.31Å; R150-F162 HydrophobicContact CG-CB 4.25Å; R150-F162 HydrophobicContact CG-CD1 3.52Å; R150-F162 HydrophobicContact CG-CE1 4.07Å; R150-F162 HydrophobicContact CG-CG 4.05Å
151T94.8Very high91.4Very high108 Ų10867.9 Ų67.966%0.66337%0.367SS*.Hα-helixtrans-58.7-37.8-179.1-54.60000112.3N147 D148 L149 P155N147-T151 PolarHBondContact O-N 3.32Å; N147-T151 PolarHBondContact O-OG1 2.86Å; D148-T151 PolarHBondContact O-N 3.18Å; L149-T151 VanDerWaalsContact C-N 3.32Å; L149-T151 PolarHBondContact O-N 3.49Å; T151-P155 WeakPolarHBondContact O-CD 3.46Å
152L94.9Very high91.2Very high71 Ų7165.4 Ų65.437%0.37235%0.352SS..Hα-helixtrans-77.2-38.8-179.4-64.8165.5000114.3D148 L149 R150 F186D148-L152 WeakPolarHBondContact O-CG 3.47Å; D148-L152 PolarHBondContact O-N 3.38Å; D148-L152 VanDerWaalsContact O-N 3.17Å; L149-L152 HydrophobicContact CD2-CD1 4.36Å; L149-L152 PolarHBondContact O-N 3.08Å; R150-L152 VanDerWaalsContact C-N 3.25Å; R150-L152 PolarHBondContact O-N 3.03Å; L152-F186 HydrophobicContact CD1-CB 3.94Å; L152-F186 HydrophobicContact CD1-CD1 3.69Å; L152-F186 HydrophobicContact CD1-CD2 3.13Å; L152-F186 HydrophobicContact CD1-CE1 3.89Å; L152-F186 HydrophobicContact CD1-CE2 3.37Å; L152-F186 HydrophobicContact CD1-CG 3.28Å; L152-F186 HydrophobicContact CD1-CZ 3.72Å; L152-F186 HydrophobicContact CD2-CD2 4.36Å; L152-F186 HydrophobicContact CG-CD2 4.34Å; L152-F186 HydrophobicContact CG-CE2 4.44Å
153L94.9Very high91.1Very high3 Ų368.9 Ų68.92%0.01637%0.371CS..Hα-helixtrans-96.4-26.1-170.1-64177000112.9L149 R150 P155 K156 C157 F162 I175 F179 E182 V183L149-L153 WeakPolarHBondContact O-CB 3.37Å; L149-L153 WeakPolarHBondContact O-CG 3.47Å; L149-L153 PolarHBondContact O-N 3.01Å; R150-L153 PolarHBondContact O-N 3.19Å; L153-P155 VanDerWaalsContact C-CD 3.43Å; L153-P155 VanDerWaalsContact C-N 3.32Å; L153-K156 WeakPolarHBondContact O-CA 3.36Å; L153-K156 PolarHBondContact O-N 3.3Å; L153-C157 PolarHBondContact O-N 3.08Å; L153-C157 VanDerWaalsContact O-N 3.11Å; L153-C157 PolarHBondContact O-SG 2.83Å; L153-F162 HydrophobicContact CB-CD2 3.96Å; L153-F162 HydrophobicContact CB-CE2 3.88Å; L153-F162 HydrophobicContact CD1-CE2 3.78Å; L153-F162 HydrophobicContact CG-CE2 4.42Å; L153-I175 HydrophobicContact CD1-CD1 4.01Å; L153-I175 HydrophobicContact CD1-CG2 4.32Å; L153-F179 HydrophobicContact CD1-CB 4.1Å; L153-F179 HydrophobicContact CD1-CD2 4.26Å; L153-F179 HydrophobicContact CD1-CG 4.19Å; L153-F179 HydrophobicContact CD2-CB 3.9Å; L153-F179 HydrophobicContact CD2-CD1 3.84Å; L153-F179 HydrophobicContact CD2-CG 3.86Å; L153-E182 HydrophobicContact CD2-CB 3.87Å; L153-E182 HydrophobicContact CD2-CG 4.36Å; L153-V183 HydrophobicContact CD1-CG2 4.02Å
154Q92.4Very high91.1Very high65 Ų6567 Ų6730%0.30437%0.367SS..THydrogen-bonded Turntrans-45.2-46.3174.2-174.376.215.200114.1R150 K156 G160R150-Q154 WeakPolarHBondContact O-CB 3.47Å; R150-Q154 PolarHBondContact O-N 2.63Å; Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 PolarHBondContact O-N 2.98Å; Q154-G160 PolarHBondContact NE2-O 3.28Å
155P91.9Very high91Very high105 Ų10571.1 Ų71.168%0.68238%0.383SS*.THydrogen-bonded Turntrans-72-17.3178.327.9-36.5000114.4T151 L153T151-P155 WeakPolarHBondContact O-CD 3.46Å; L153-P155 VanDerWaalsContact C-CD 3.43Å; L153-P155 VanDerWaalsContact C-N 3.32Å
156K90Very high91Very high114 Ų11472.4 Ų72.450%0.49639%0.393SS..THydrogen-bonded Turntrans-93.8-18.4-179-63.2-174.2175.9-170.70113.1L153 Q154 F179 E182L153-K156 WeakPolarHBondContact O-CA 3.36Å; L153-K156 PolarHBondContact O-N 3.3Å; Q154-K156 VanDerWaalsContact C-N 3.28Å; Q154-K156 PolarHBondContact O-N 2.98Å; K156-F179 HydrophobicContact CB-CE1 4.19Å; K156-E182 HydrophobicContact CD-CG 3.91Å; K156-E182 IonicContact NZ-OE1 3.8Å
157C88.2Confident91Very high20 Ų2073.7 Ų73.714%0.13540%0.399CS..SBendtrans-73.4128.4177.8-63.60000110.8L153 A159 G160L153-C157 PolarHBondContact O-N 3.08Å; L153-C157 VanDerWaalsContact O-N 3.11Å; L153-C157 PolarHBondContact O-SG 2.83Å; C157-A159 PolarHBondContact O-N 3.37Å; C157-G160 PolarHBondContact O-N 3.17Å
158E76.1Confident90.9Very high213 Ų21374.5 Ų74.5100%0.99540%0.4SS*.THydrogen-bonded Turntrans-60.6-12.5-173.6-63.5177.1171.200115.2
159A75.5Confident90.9Very high78 Ų7878.8 Ų78.865%0.64543%0.428SS*.THydrogen-bonded Turntrans-127.27.2177.100000113.6C157 L161C157-A159 PolarHBondContact O-N 3.37Å; A159-L161 HydrophobicContact CB-CB 4.47Å; A159-L161 HydrophobicContact CB-CD1 4.25Å; A159-L161 HydrophobicContact CB-CG 4.4Å; A159-L161 PolarHBondContact O-N 3.28Å; A159-L161 VanDerWaalsContact O-N 3.07Å
160G78.6Confident90.8Very high29 Ų2982.5 Ų82.530%0.29945%0.451SS..SBendtrans58.119.3-169.800000113.4Q154 C157Q154-G160 PolarHBondContact NE2-O 3.28Å; C157-G160 PolarHBondContact O-N 3.17Å
161L84.3Confident90.9Very high127 Ų12781.2 Ų81.267%0.66545%0.446SS*.  trans-100.893.3176.6-72.6169000108.7A159 L163A159-L161 HydrophobicContact CB-CB 4.47Å; A159-L161 HydrophobicContact CB-CD1 4.25Å; A159-L161 HydrophobicContact CB-CG 4.4Å; A159-L161 PolarHBondContact O-N 3.28Å; A159-L161 VanDerWaalsContact O-N 3.07Å; L161-L163 PolarHBondContact O-N 3.06Å
162F91.2Very high91Very high26 Ų2676.8 Ų76.811%0.11442%0.419CS..  trans-79.398.4172.1-179.7-107.1000110.3L149 R150 L153 C164 I175L149-F162 HydrophobicContact CB-CZ 4.13Å; R150-F162 HydrophobicContact CB-CD1 3.55Å; R150-F162 HydrophobicContact CB-CE1 3.54Å; R150-F162 HydrophobicContact CB-CG 4.28Å; R150-F162 HydrophobicContact CB-CZ 4.31Å; R150-F162 HydrophobicContact CG-CB 4.25Å; R150-F162 HydrophobicContact CG-CD1 3.52Å; R150-F162 HydrophobicContact CG-CE1 4.07Å; R150-F162 HydrophobicContact CG-CG 4.05Å; L153-F162 HydrophobicContact CB-CD2 3.96Å; L153-F162 HydrophobicContact CB-CE2 3.88Å; L153-F162 HydrophobicContact CD1-CE2 3.78Å; L153-F162 HydrophobicContact CG-CE2 4.42Å; F162-C164 HydrophobicContact CD1-CB 3.85Å; F162-C164 HydrophobicContact CE1-CB 3.24Å; F162-C164 HydrophobicContact CE2-CB 4.47Å; F162-C164 HydrophobicContact CZ-CB 3.61Å; F162-I175 HydrophobicContact CD2-CG2 4.37Å; F162-I175 HydrophobicContact CE2-CD1 4.14Å; F162-I175 HydrophobicContact CE2-CG1 4.08Å; F162-I175 HydrophobicContact CE2-CG2 3.7Å; F162-I175 HydrophobicContact CZ-CD1 4.02Å; F162-I175 HydrophobicContact CZ-CG1 3.94Å; F162-I175 HydrophobicContact CZ-CG2 4.39Å
163L92.9Very high91.1Very high91 Ų9173.4 Ų73.448%0.47640%0.402SS..  trans-92.7106177.5-68.7165.5000109.6L161 E176L161-L163 PolarHBondContact O-N 3.06Å; L163-E176 HydrophobicContact CB-CB 3.89Å; L163-E176 WeakPolarHBondContact CD1-OE2 3.36Å; L163-E176 PolarHBondContact O-N 2.87Å
164C94.6Very high91.2Very high48 Ų4876.5 Ų76.532%0.32442%0.415SS..EExtended strand (participates in β ladder)trans-127.9138.8-177.8-177.30000110.9F162 I173 K174 I175F162-C164 HydrophobicContact CD1-CB 3.85Å; F162-C164 HydrophobicContact CE1-CB 3.24Å; F162-C164 HydrophobicContact CE2-CB 4.47Å; F162-C164 HydrophobicContact CZ-CB 3.61Å; C164-I173 VanDerWaalsContact SG-CG2 3.58Å; C164-K174 CarbonylContact C-O 3.6Å; C164-K174 WeakPolarHBondContact CA-O 3.37Å; C164-I175 HydrophobicContact CB-CG1 4.28Å
165Q95.1Very high91.4Very high103 Ų10373.5 Ų73.548%0.48140%0.401SS..EExtended strand (participates in β ladder)trans-122.3117.6173.4177.7-177.9-1.500108.5D167 I173 K174Q165-D167 WeakPolarHBondContact CG-OD1 3.29Å; Q165-D167 PolarHBondContact NE2-OD1 3.41Å; Q165-D167 PolarHBondContact NE2-OD2 3.48Å; Q165-I173 WeakPolarHBondContact O-CA 3.23Å; Q165-K174 HydrophobicContact CB-CB 4.41Å; Q165-K174 PolarHBondContact N-O 3.11Å; Q165-K174 PolarHBondContact O-N 2.72Å
166A95.9Very high91.4Very high27 Ų2771 Ų7122%0.22338%0.38CS..EExtended strand (participates in β ladder)trans-98.8114.7172.300000109.6I173A166-I173 HydrophobicContact CB-CG1 4.31Å
167D96Very high91.6Very high37 Ų3766.4 Ų66.420%0.19837%0.366CS..EExtended strand (participates in β ladder)trans-105.992.4180-70.9-30.3000109.9Q165 V169 T170 R171 C172 K174Q165-D167 WeakPolarHBondContact CG-OD1 3.29Å; Q165-D167 PolarHBondContact NE2-OD1 3.41Å; Q165-D167 PolarHBondContact NE2-OD2 3.48Å; D167-V169 PolarHBondContact O-N 3.22Å; D167-T170 WeakPolarHBondContact CB-OG1 3.45Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 2.96Å; D167-T170 VanDerWaalsContact O-OG1 3.13Å; D167-R171 PolarHBondContact O-N 3.47Å; D167-C172 PolarHBondContact N-O 2.85Å; D167-C172 PolarHBondContact O-N 3.49Å; D167-K174 IonicContact OD2-NZ 2.68Å; D167-K174 PolarHBondContact OD2-NZ 3.13Å
168E94.3Very high91.8Very high109 Ų10969.9 Ų69.951%0.50938%0.382SS..THydrogen-bonded Turntrans-63.3-43.9-169.7-57.2-173.1172.400113.4M142 Q143 T170 R171M142-E168 HydrophobicContact CE-CB 3.42Å; M142-E168 VanDerWaalsContact CE-CB 3.42Å; M142-E168 HydrophobicContact CE-CG 3.61Å; M142-E168 HydrophobicContact SD-CB 4.3Å; M142-E168 HydrophobicContact SD-CG 4.32Å; Q143-E168 PolarHBondContact NE2-OE1 3.35Å; E168-T170 PolarHBondContact O-N 3.02Å; E168-R171 PolarHBondContact O-N 3.29Å
169V95Very high92.7Very high145 Ų14560.9 Ų60.988%0.87934%0.34SS*.THydrogen-bonded Turntrans-57.3-38.3178.3-179.70000111.6D167D167-V169 PolarHBondContact O-N 3.22Å
170T95.4Very high93.6Very high78 Ų7860.8 Ų60.848%0.47933%0.326SS..THydrogen-bonded Turntrans-91.1-6.2-179.566.60000113.3D167 E168 C172D167-T170 WeakPolarHBondContact CB-OG1 3.45Å; D167-T170 PolarHBondContact O-N 3.18Å; D167-T170 PolarHBondContact O-OG1 2.96Å; D167-T170 VanDerWaalsContact O-OG1 3.13Å; E168-T170 PolarHBondContact O-N 3.02Å; T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.87Å; T170-C172 PolarHBondContact O-SG 3.03Å; T170-C172 WeakPolarHBondContact OG1-CB 3.5Å
171R96.7Very high94.4Very high108 Ų10865.3 Ų65.341%0.40834%0.34SS..THydrogen-bonded Turntrans53.544.5-174.3-66.8-175-70.9171-6112.6R136 H137 V138 D139 D167 E168R136-R171 CarbonylContact C-O 3.51Å; H137-R171 PolarHBondContact N-O 2.7Å; H137-R171 VanDerWaalsContact N-O 3.09Å; V138-R171 PolarHBondContact N-O 3.26Å; V138-R171 VanDerWaalsContact O-CB 3.23Å; V138-R171 WeakPolarHBondContact O-CB 3.41Å; V138-R171 WeakPolarHBondContact O-CD 3.37Å; V138-R171 WeakPolarHBondContact O-CG 3.41Å; D139-R171 WeakPolarHBondContact OD1-CD 3.47Å; D139-R171 IonicContact OD1-CZ 3.5Å; D139-R171 IonicContact OD1-NE 3.69Å; D139-R171 IonicContact OD1-NH1 3.66Å; D139-R171 PolarHBondContact OD1-NH1 2.93Å; D139-R171 IonicContact OD2-NH1 3.42Å; D167-R171 PolarHBondContact O-N 3.47Å; E168-R171 PolarHBondContact O-N 3.29Å
172C97Very high95Very high16 Ų1662 Ų6211%0.10832%0.32CS..EExtended strand (participates in β ladder)trans-130.6138.1-175.4-66.20000111.4I135 D167 T170I135-C172 CarbonylContact O-C 3.56Å; I135-C172 VanDerWaalsContact O-CA 3.23Å; I135-C172 WeakPolarHBondContact O-CA 3.28Å; D167-C172 PolarHBondContact N-O 2.85Å; D167-C172 PolarHBondContact O-N 3.49Å; T170-C172 VanDerWaalsContact C-N 3.27Å; T170-C172 PolarHBondContact O-N 2.87Å; T170-C172 PolarHBondContact O-SG 3.03Å; T170-C172 WeakPolarHBondContact OG1-CB 3.5Å
173I97.4Very high95.3Very high0 Ų060.8 Ų60.80%032%0.315CS..EExtended strand (participates in β ladder)trans-114128.4170.7-66.8168.5000107.8V134 I135 V138 L145 C164 Q165 A166 I175V134-I173 WeakPolarHBondContact CA-O 3.38Å; I135-I173 HydrophobicContact CB-CB 4.36Å; I135-I173 PolarHBondContact N-O 3.19Å; I135-I173 PolarHBondContact O-N 2.97Å; V138-I173 HydrophobicContact CG1-CD1 4.48Å; V138-I173 HydrophobicContact CG2-CD1 4.3Å; L145-I173 HydrophobicContact CB-CD1 4.03Å; L145-I173 HydrophobicContact CD1-CD1 4.23Å; L145-I173 HydrophobicContact CD2-CD1 3.61Å; L145-I173 HydrophobicContact CG-CD1 4.15Å; C164-I173 VanDerWaalsContact SG-CG2 3.58Å; Q165-I173 WeakPolarHBondContact O-CA 3.23Å; A166-I173 HydrophobicContact CB-CG1 4.31Å; I173-I175 HydrophobicContact CG2-CD1 4.25Å; I173-I175 HydrophobicContact CG2-CG1 4.12Å
174K96.7Very high95.4Very high68 Ų6857.6 Ų57.630%0.29630%0.302SS..EExtended strand (participates in β ladder)trans-116.8121.2179.5-62.1170.5-175.8144.30108.7T133 V134 C164 Q165 D167T133-K174 WeakPolarHBondContact O-CA 3.3Å; V134-K174 HydrophobicContact CG1-CG 4.31Å; V134-K174 HydrophobicContact CG2-CG 4.23Å; C164-K174 CarbonylContact C-O 3.6Å; C164-K174 WeakPolarHBondContact CA-O 3.37Å; Q165-K174 HydrophobicContact CB-CB 4.41Å; Q165-K174 PolarHBondContact N-O 3.11Å; Q165-K174 PolarHBondContact O-N 2.72Å; D167-K174 IonicContact OD2-NZ 2.68Å; D167-K174 PolarHBondContact OD2-NZ 3.13Å
175I96Very high95.5Very high1 Ų161.7 Ų61.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-114.1139178.8-64.8160.3000108L132 T133 I135 L149 L153 F162 C164 I173 F179L132-I175 CarbonylContact C-O 3.59Å; L132-I175 VanDerWaalsContact CA-O 3.25Å; L132-I175 WeakPolarHBondContact CA-O 3.32Å; T133-I175 PolarHBondContact N-O 2.63Å; T133-I175 PolarHBondContact O-N 2.9Å; T133-I175 WeakPolarHBondContact OG1-CB 3.5Å; I135-I175 HydrophobicContact CD1-CD1 4.44Å; L149-I175 HydrophobicContact CB-CD1 4.4Å; L149-I175 HydrophobicContact CD1-CD1 3.58Å; L153-I175 HydrophobicContact CD1-CD1 4.01Å; L153-I175 HydrophobicContact CD1-CG2 4.32Å; F162-I175 HydrophobicContact CD2-CG2 4.37Å; F162-I175 HydrophobicContact CE2-CD1 4.14Å; F162-I175 HydrophobicContact CE2-CG1 4.08Å; F162-I175 HydrophobicContact CE2-CG2 3.7Å; F162-I175 HydrophobicContact CZ-CD1 4.02Å; F162-I175 HydrophobicContact CZ-CG1 3.94Å; F162-I175 HydrophobicContact CZ-CG2 4.39Å; C164-I175 HydrophobicContact CB-CG1 4.28Å; I173-I175 HydrophobicContact CG2-CD1 4.25Å; I173-I175 HydrophobicContact CG2-CG1 4.12Å; I175-F179 HydrophobicContact CG2-CD2 3.94Å; I175-F179 HydrophobicContact CG2-CE2 4.4Å
176E93.2Very high95.6Very high52 Ų5257.9 Ų57.924%0.24330%0.296CS..EExtended strand (participates in β ladder)trans-75.4131.6171.8-166.7161.6-172.900111.6R130 L163 F179R130-E176 HydrophobicContact CG-CG 4.3Å; R130-E176 IonicContact CZ-OE1 3.6Å; R130-E176 IonicContact CZ-OE2 2.98Å; R130-E176 IonicContact NE-OE1 3.37Å; R130-E176 PolarHBondContact NE-OE1 3.27Å; R130-E176 IonicContact NE-OE2 3.45Å; R130-E176 PolarHBondContact NE-OE2 3.03Å; R130-E176 IonicContact NH1-OE2 3.57Å; R130-E176 IonicContact NH2-OE1 3.98Å; R130-E176 IonicContact NH2-OE2 2.64Å; R130-E176 PolarHBondContact NH2-OE2 2.95Å; L163-E176 HydrophobicContact CB-CB 3.89Å; L163-E176 WeakPolarHBondContact CD1-OE2 3.36Å; L163-E176 PolarHBondContact O-N 2.87Å; E176-F179 VanDerWaalsContact O-CE2 3.28Å; E176-F179 WeakPolarHBondContact O-CE2 3.41Å
177G92.9Very high95.6Very high19 Ų1956.6 Ų56.620%0.19629%0.286CS..SBendtrans108.6174.2-179.900000113.2Q131 L132 T133Q131-G177 PolarHBondContact O-N 3.39Å; L132-G177 CarbonylContact C-O 3.59Å; T133-G177 PolarHBondContact N-O 3.08Å
178L93.6Very high95.5Very high93 Ų9357.5 Ų57.549%0.48729%0.291SS..  trans-100.698.4177.6-169.5149000108.7Y115Y115-L178 HydrophobicContact CD2-CD1 4.05Å; Y115-L178 HydrophobicContact CD2-CG 4.35Å; Y115-L178 HydrophobicContact CE2-CD1 3.73Å; Y115-L178 HydrophobicContact CE2-CG 4.35Å
179F94.9Very high95.5Very high23 Ų2356.1 Ų56.110%0.10129%0.293CS..  trans-129.727.6-178.9-60.3-63.2000112.7T133 L153 K156 I175 E176 E181 E182 V183T133-F179 HydrophobicContact CG2-CB 4.21Å; L153-F179 HydrophobicContact CD1-CB 4.1Å; L153-F179 HydrophobicContact CD1-CD2 4.26Å; L153-F179 HydrophobicContact CD1-CG 4.19Å; L153-F179 HydrophobicContact CD2-CB 3.9Å; L153-F179 HydrophobicContact CD2-CD1 3.84Å; L153-F179 HydrophobicContact CD2-CG 3.86Å; K156-F179 HydrophobicContact CB-CE1 4.19Å; I175-F179 HydrophobicContact CG2-CD2 3.94Å; I175-F179 HydrophobicContact CG2-CE2 4.4Å; E176-F179 VanDerWaalsContact O-CE2 3.28Å; E176-F179 WeakPolarHBondContact O-CE2 3.41Å; F179-E181 VanDerWaalsContact C-N 3.33Å; F179-E181 PolarHBondContact O-N 3.36Å; F179-E182 WeakPolarHBondContact CA-OE2 3.32Å; F179-V183 HydrophobicContact CB-CG2 4.3Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.09Å
180Q94.7Very high95.5Very high77 Ų7752.1 Ų52.136%0.3626%0.264SS..Hα-helixtrans-63.8-42.1-169.4-178.3176.26.800111V113 T133 A184V113-Q180 HydrophobicContact CG1-CG 4.01Å; V113-Q180 PolarHBondContact O-NE2 3.04Å; V113-Q180 VanDerWaalsContact O-NE2 3.15Å; T133-Q180 HydrophobicContact CG2-CB 4.24Å; Q180-A184 WeakPolarHBondContact O-CB 3.36Å; Q180-A184 PolarHBondContact O-N 3.04Å
181E95.5Very high95.3Very high124 Ų12448.7 Ų48.758%0.57924%0.244SC*.Hα-helixtrans-71.2-41.6-178.1-63.2-171.1-172.200112.4F179 A184 K185F179-E181 VanDerWaalsContact C-N 3.33Å; F179-E181 PolarHBondContact O-N 3.36Å; E181-A184 PolarHBondContact O-N 3.49Å; E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 VanDerWaalsContact O-CG 3.22Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 IonicContact OE2-NZ 3.93Å
182E95.9Very high95.2Very high56 Ų5644 Ų4426%0.26223%0.226SC..Hα-helixtrans-62.7-47.6178.6-67.181.1-179.500111.2L153 K156 F179 A184 K185 F186L153-E182 HydrophobicContact CD2-CB 3.87Å; L153-E182 HydrophobicContact CD2-CG 4.36Å; K156-E182 HydrophobicContact CD-CG 3.91Å; K156-E182 IonicContact NZ-OE1 3.8Å; F179-E182 WeakPolarHBondContact CA-OE2 3.32Å; E182-A184 VanDerWaalsContact C-N 3.34Å; E182-K185 PolarHBondContact O-N 3.21Å; E182-F186 WeakPolarHBondContact O-CB 3.42Å; E182-F186 PolarHBondContact O-N 2.94Å
183V96.9Very high95.1Very high1 Ų145.4 Ų45.41%0.00623%0.232CC..Hα-helixtrans-65-42.1178173.70000109.9V113 I135 L149 L153 F179 F186 L187V113-V183 HydrophobicContact CG1-CB 4.15Å; V113-V183 HydrophobicContact CG1-CG1 3.9Å; V113-V183 HydrophobicContact CG2-CG1 3.88Å; I135-V183 HydrophobicContact CD1-CG1 3.46Å; I135-V183 VanDerWaalsContact CD1-CG1 3.46Å; I135-V183 HydrophobicContact CG1-CG1 3.89Å; L149-V183 HydrophobicContact CD2-CG1 4.48Å; L149-V183 HydrophobicContact CD2-CG2 4.25Å; L153-V183 HydrophobicContact CD1-CG2 4.02Å; F179-V183 HydrophobicContact CB-CG2 4.3Å; F179-V183 WeakPolarHBondContact O-CB 3.41Å; F179-V183 WeakPolarHBondContact O-CG2 3.39Å; F179-V183 PolarHBondContact O-N 3.09Å; V183-F186 PolarHBondContact O-N 3.41Å; V183-L187 HydrophobicContact CG1-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CG 4.36Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.46Å
184A96.5Very high95Very high25 Ų2547.8 Ų47.821%0.20724%0.244CC..Hα-helixtrans-62.1-47.617700000111.8L111 Q180 E181 E182 F186 L187 L188L111-A184 HydrophobicContact CD1-CB 4.28Å; Q180-A184 WeakPolarHBondContact O-CB 3.36Å; Q180-A184 PolarHBondContact O-N 3.04Å; E181-A184 PolarHBondContact O-N 3.49Å; E182-A184 VanDerWaalsContact C-N 3.34Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 3.49Å; A184-L187 PolarHBondContact O-N 3.34Å; A184-L188 VanDerWaalsContact O-CG 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.19Å
185K95.9Very high94.9Very high133 Ų13346.7 Ų46.758%0.57824%0.242SC*.Hα-helixtrans-58.9-42.2176.1-74166.1-176.6161.90111.4E181 E182 S189E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 VanDerWaalsContact O-CG 3.22Å; E181-K185 WeakPolarHBondContact O-CG 3.48Å; E181-K185 PolarHBondContact O-N 3.3Å; E181-K185 IonicContact OE2-NZ 3.93Å; E182-K185 PolarHBondContact O-N 3.21Å; K185-S189 PolarHBondContact O-N 3.37Å
186F96.3Very high94.8Very high23 Ų2349.4 Ų49.410%0.10126%0.256CS..Hα-helixtrans-62.9-49.3176.4174.1-114.1000112.5D148 L149 L152 E182 V183 A184 L188 S189 K190D148-F186 HydrophobicContact CB-CE1 4.31Å; D148-F186 HydrophobicContact CB-CZ 3.9Å; L149-F186 HydrophobicContact CD2-CD1 3.65Å; L149-F186 HydrophobicContact CD2-CE1 3.94Å; L152-F186 HydrophobicContact CD1-CB 3.94Å; L152-F186 HydrophobicContact CD1-CD1 3.69Å; L152-F186 HydrophobicContact CD1-CD2 3.13Å; L152-F186 HydrophobicContact CD1-CE1 3.89Å; L152-F186 HydrophobicContact CD1-CE2 3.37Å; L152-F186 HydrophobicContact CD1-CG 3.28Å; L152-F186 HydrophobicContact CD1-CZ 3.72Å; L152-F186 HydrophobicContact CD2-CD2 4.36Å; L152-F186 HydrophobicContact CG-CD2 4.34Å; L152-F186 HydrophobicContact CG-CE2 4.44Å; E182-F186 WeakPolarHBondContact O-CB 3.42Å; E182-F186 PolarHBondContact O-N 2.94Å; V183-F186 PolarHBondContact O-N 3.41Å; A184-F186 VanDerWaalsContact C-N 3.3Å; A184-F186 PolarHBondContact O-N 3.49Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.04Å; F186-S189 WeakPolarHBondContact O-CB 3.49Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.49Å; F186-K190 HydrophobicContact CD2-CG 4.41Å; F186-K190 HydrophobicContact CE1-CG 4.37Å; F186-K190 HydrophobicContact CE2-CD 4.25Å; F186-K190 HydrophobicContact CE2-CG 3.91Å; F186-K190 HydrophobicContact CZ-CD 4.31Å; F186-K190 HydrophobicContact CZ-CG 3.92Å; F186-K190 PolarHBondContact O-N 3.01Å; F186-K190 VanDerWaalsContact O-N 3.11Å
187L96.4Very high94.9Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-62.7-38.9-180-69.4176.4000112V103 L111 V113 V183 A184 S189 K190 G191 F192V103-L187 HydrophobicContact CB-CD2 4.42Å; V103-L187 HydrophobicContact CG1-CD1 4.3Å; V103-L187 HydrophobicContact CG2-CD2 3.84Å; L111-L187 HydrophobicContact CD1-CB 4.24Å; L111-L187 HydrophobicContact CD2-CB 4.08Å; L111-L187 HydrophobicContact CD2-CD1 4.35Å; V113-L187 HydrophobicContact CG2-CD1 3.54Å; V183-L187 HydrophobicContact CG1-CD1 4.02Å; V183-L187 HydrophobicContact CG1-CG 4.36Å; V183-L187 VanDerWaalsContact O-CG 3.31Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 3.46Å; A184-L187 PolarHBondContact O-N 3.34Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.04Å; L187-K190 PolarHBondContact O-N 3.08Å; L187-G191 PolarHBondContact O-N 2.9Å; L187-F192 HydrophobicContact CB-CB 4.43Å; L187-F192 HydrophobicContact CD2-CD2 3.83Å; L187-F192 HydrophobicContact CD2-CE2 4.48Å; L187-F192 PolarHBondContact O-N 3.12Å
188L94.4Very high95Very high57 Ų5751.2 Ų51.230%0.29826%0.26SS..Hα-helixtrans-62.1-40.4172.8-70.8173000112I89 L111 A184 F186 K190 G191I89-L188 HydrophobicContact CB-CD2 4.2Å; I89-L188 HydrophobicContact CD1-CD1 4.21Å; L111-L188 HydrophobicContact CD1-CD1 4.41Å; L111-L188 HydrophobicContact CD1-CD2 3.77Å; L111-L188 HydrophobicContact CD1-CG 3.69Å; L111-L188 HydrophobicContact CG-CD2 4.48Å; A184-L188 VanDerWaalsContact O-CG 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.19Å; F186-L188 VanDerWaalsContact C-N 3.31Å; F186-L188 PolarHBondContact O-N 3.04Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 3.37Å; L188-G191 PolarHBondContact O-N 3.3Å
189S93.9Very high95.2Very high80 Ų8048.2 Ų48.256%0.55924%0.244SC*.Hα-helixtrans-64.3-32.3178.878.40000113K185 F186 L187 G191K185-S189 PolarHBondContact O-N 3.37Å; F186-S189 WeakPolarHBondContact O-CB 3.49Å; F186-S189 PolarHBondContact O-N 3.32Å; F186-S189 VanDerWaalsContact O-N 3.08Å; F186-S189 PolarHBondContact O-OG 3.49Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.04Å; S189-G191 VanDerWaalsContact C-N 3.28Å
190K94.4Very high95.2Very high61 Ų6150.2 Ų50.227%0.26526%0.255SS..THydrogen-bonded Turntrans-79.7-8173.2-65.2-71.8-166.7159.90113.1L95 S96 V99 D148 F186 L187 L188 F192L95-K190 CarbonylContact C-O 3.6Å; L95-K190 WeakPolarHBondContact CB-O 3.31Å; S96-K190 PolarHBondContact N-O 2.85Å; V99-K190 HydrophobicContact CG2-CD 4.14Å; D148-K190 IonicContact OD2-NZ 2.82Å; D148-K190 PolarHBondContact OD2-NZ 3.11Å; F186-K190 HydrophobicContact CD2-CG 4.41Å; F186-K190 HydrophobicContact CE1-CG 4.37Å; F186-K190 HydrophobicContact CE2-CD 4.25Å; F186-K190 HydrophobicContact CE2-CG 3.91Å; F186-K190 HydrophobicContact CZ-CD 4.31Å; F186-K190 HydrophobicContact CZ-CG 3.92Å; F186-K190 PolarHBondContact O-N 3.01Å; F186-K190 VanDerWaalsContact O-N 3.11Å; L187-K190 PolarHBondContact O-N 3.08Å; L188-K190 VanDerWaalsContact C-N 3.27Å; L188-K190 PolarHBondContact O-N 3.37Å; K190-F192 HydrophobicContact CB-CD2 3.72Å; K190-F192 HydrophobicContact CB-CE2 3.6Å; K190-F192 HydrophobicContact CG-CE2 4.36Å
191G92.8Very high95.2Very high6 Ų647.9 Ų47.96%0.06225%0.246CC..THydrogen-bonded Turntrans87.414.6177.800000115.9P91 N92 L187 L188 S189P91-G191 CarbonylContact C-O 3.57Å; P91-G191 WeakPolarHBondContact CA-O 3.25Å; N92-G191 PolarHBondContact N-O 3.26Å; L187-G191 PolarHBondContact O-N 2.9Å; L188-G191 PolarHBondContact O-N 3.3Å; S189-G191 VanDerWaalsContact C-N 3.28Å
192F93.6Very high95.2Very high9 Ų941 Ų414%0.03922%0.216CC..  trans-77.90178-63.3-60.5000113.8V99 Y101 V103 R105 L111 L187 K190V99-F192 HydrophobicContact CB-CZ 4.3Å; V99-F192 HydrophobicContact CG1-CZ 4.27Å; Y101-F192 HydrophobicContact CD2-CE2 4.06Å; Y101-F192 AromaticContact CD2-CZ 3.95Å; Y101-F192 HydrophobicContact CD2-CZ 3.95Å; Y101-F192 AromaticContact CE2-CE2 3.67Å; Y101-F192 HydrophobicContact CE2-CE2 3.67Å; Y101-F192 AromaticContact CE2-CZ 3.98Å; Y101-F192 HydrophobicContact CE2-CZ 3.98Å; Y101-F192 VanDerWaalsContact O-CZ 3.22Å; Y101-F192 WeakPolarHBondContact O-CZ 3.44Å; V103-F192 HydrophobicContact CB-CB 4.12Å; V103-F192 HydrophobicContact CB-CD1 4.31Å; V103-F192 HydrophobicContact CB-CD2 4.43Å; V103-F192 HydrophobicContact CB-CG 4.03Å; V103-F192 HydrophobicContact CG2-CD2 4.39Å; V103-F192 HydrophobicContact CG2-CG 4.45Å; R105-F192 PolarHBondContact NE-O 3.16Å; R105-F192 PolarHBondContact NE-OXT 3.4Å; R105-F192 PolarHBondContact NH2-O 3.13Å; L111-F192 HydrophobicContact CD2-CB 4.44Å; L187-F192 HydrophobicContact CB-CB 4.43Å; L187-F192 HydrophobicContact CD2-CD2 3.83Å; L187-F192 HydrophobicContact CD2-CE2 4.48Å; L187-F192 PolarHBondContact O-N 3.12Å; K190-F192 HydrophobicContact CB-CD2 3.72Å; K190-F192 HydrophobicContact CB-CE2 3.6Å; K190-F192 HydrophobicContact CG-CE2 4.36Å

Retrieved 192 of 192 residues in 197 ms (Link to these results)