A0A5K4F840_SCHMA Loading...

Fork-head domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F840, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M36Very low36Very low233 Ų233135 Ų135100%1.14879%0.786SS**  0122.80-85.9176.5167.700107.7
2I38.1Very low35.7Very low158 Ų158134.3 Ų134.381%0.8179%0.785SS**  trans73.286.1165-42.5159.4000113.9
3S29.7Very low35.5Very low106 Ų106132.8 Ų132.874%0.74179%0.787SS**  63.2109.876.5-74.30000114.9
4S38.3Very low35.1Very low118 Ų118131.5 Ų131.583%0.82579%0.788SS**  trans176.898.9130.215.60000108.4
5V36Very low35Very low127 Ų127131.6 Ų131.677%0.7779%0.79SS**  7997.480.51760000113.3
6L37.9Very low34.9Very low144 Ų144129.9 Ų129.975%0.75479%0.786SS**  trans50.2158.2132.9-68171.9000120.5
7P37.2Very low34.6Very low122 Ų122131.5 Ų131.579%0.79279%0.788SS**  cis-140.7167.525.835.8-13.1000118.7
8I36.9Very low34.5Very low127 Ų127132.8 Ų132.865%0.65179%0.789SS**  trans-87.3159.8173.1-54.7160.3000109.9N10I8-N10 VanDerWaalsContact CG2-N 3.34Å
9P40.5Very low34.3Very low116 Ų116134.2 Ų134.275%0.75379%0.786SS**  -136.1131.3111.418.82.1000111.9
10N32.2Very low34.3Very low141 Ų141133.9 Ų133.975%0.75479%0.786SS**  59.5131.390.2-69.6-3.2000112.4I8I8-N10 VanDerWaalsContact CG2-N 3.34Å
11S33.6Very low34.2Very low93 Ų93132.6 Ų132.665%0.6578%0.779SS**  cis178.6149.319.138.90000109.5
12T32.1Very low34.2Very low126 Ų126129.3 Ų129.377%0.77377%0.766SS**  trans58.8131.8139.659.40000119
13S33.7Very low33.8Very low116 Ų116128.3 Ų128.381%0.81176%0.763SS**  -166.6146.559.8-660000113
14S30Very low34.1Very low114 Ų114132.3 Ų132.380%0.79777%0.769SS**  trans-83.9154.6174.1-46.80000113
15T33.6Very low33.7Very low133 Ų133137.7 Ų137.782%0.81677%0.771SS**  trans-168.792151.13.40000107.2
16S33.4Very low33.6Very low104 Ų104142.3 Ų142.373%0.72778%0.777SS**  71.3108.593.772.90000115.2
17L28.4Very low33.1Very low158 Ų158140 Ų14083%0.82777%0.772SS**  trans-43.9136.7160.8-81.6135.1000113.8
18I33.3Very low33.1Very low155 Ų155142.5 Ų142.580%0.79577%0.773SS**  trans-140.4115.8142.8-60.7-175.4000108.5
19H31.1Very low32.8Very low158 Ų158141.3 Ų141.373%0.73178%0.776SS**  trans-77.6135.6163.5-119.3-98.5000108.4
20T35Very low32.4Very low129 Ų129145.5 Ų145.579%0.79178%0.783SS**  trans-149.3119156.2-5.70000108.4
21V32.3Very low32.2Very low106 Ų106143.9 Ų143.964%0.64278%0.782SS**  trans-93.8131.1171.6-1770000105.4
22D34.5Very low32.1Very low165 Ų165146.4 Ų146.488%0.88279%0.788SS**  trans-156.4131.5147.4-99.3-34.6000112
23N29.9Very low32.1Very low136 Ų136147.7 Ų147.773%0.72779%0.785SS**  trans-68.6152.2175.4-75.9-55.2000111.2
24H37.1Very low32.1Very low191 Ų191148.3 Ų148.388%0.88478%0.784SS**  -171.9132.5119.5-102.4-71000112.8
25R29.9Very low32Very low230 Ų230150.4 Ų150.487%0.86879%0.786SS**  trans-54.2147.5169.6-75.2171.6168.4176.7-4.6113.2
26Y32.2Very low32.2Very low224 Ų224149 Ų14988%0.87878%0.78SS**  trans-147.4123.8136.7-116-86.1000110.3
27S28.4Very low32.2Very low95 Ų95153 Ų15366%0.66479%0.785SS**  trans-106.2133171.548.80000108.3
28H37.1Very low32.4Very low175 Ų175150 Ų15081%0.8178%0.776SS**  trans-155.4121.9151.4-92-65.6000111
29S30.1Very low32.3Very low102 Ų102150.1 Ų150.171%0.71378%0.778SS**  trans-77145.5169.847.60000112.2
30F32.4Very low32.5Very low205 Ų205147.4 Ų147.490%0.89977%0.774SS**  trans-149.9126148.9-117.5-87.4000110.2
31S27.3Very low32.4Very low106 Ų106150.6 Ų150.674%0.74178%0.778SS**  trans-99.6175.3170.4-78.40000110.4
32L33.2Very low32.3Very low147 Ų147154.2 Ų154.277%0.7779%0.787SS**  trans107.6133.1176-61.9165.3000110.7
33Q31.4Very low32.3Very low152 Ų152152.8 Ų152.871%0.7179%0.785SS**  cis-177.3159.40.4-179.4108.3-1600105.3
34T34.2Very low32.5Very low129 Ų129150.4 Ų150.479%0.79178%0.779SS**  trans88.8105.1155.673.20000121.8
35D26.6Very low32.4Very low158 Ų158146.2 Ų146.285%0.84577%0.771SS**  trans-78.2-177.6143.3-79-38.3000111
36P39.1Very low32.8Very low104 Ų104141.3 Ų141.368%0.67576%0.761SS**  cis-131175.1-40.333-14.9000112.1
37F33.3Very low33.2Very low189 Ų189137.8 Ų137.883%0.82975%0.752SS**  trans157.3114.4142.6-97.7-82.9000113.8
38S32.2Very low33.7Very low93 Ų93137 Ų13765%0.6575%0.747SS**  trans63.3116.1135.5-66.90000125
39L31.5Very low33.9Very low159 Ų159134 Ų13483%0.83274%0.737SS**  trans78.9157.8139.8-60171.5000119.2
40P34.7Very low34.6Very low100 Ų100133.5 Ų133.565%0.64973%0.73SS**  -132.4144-52.134.9-19.4000110.5
41F33.4Very low35.1Very low197 Ų197129.3 Ų129.386%0.86472%0.716SS**  trans-136.9132.2171.2-98.8-84.6000113.5
42E29.6Very low35.9Very low182 Ų182130 Ų13085%0.8571%0.707SS**  trans-51.6121.4-175.9-63.4165.1132.500112.9
43T35.5Very low36.4Very low134 Ų134128.8 Ų128.882%0.82270%0.697SS**  trans-104.694.1163.658.20000109.5
44S32.5Very low36.8Very low86 Ų86129.8 Ų129.860%0.60170%0.695SS**  trans4.2126145.539.30000118.4L46S44-L46 PolarHBondContact O-N 2.89Å
45S35.6Very low37.2Very low104 Ų104127.9 Ų127.973%0.72768%0.68SS**THydrogen-bonded Turntrans-64.223.5-179.450.20000117.3
46L39Very low38.2Very low127 Ų127126 Ų12667%0.66567%0.667SS**THydrogen-bonded Turntrans-100.1-19.3-175.6-83.9156.2000114.8S44S44-L46 PolarHBondContact O-N 2.89Å
47H40.2Very low38.4Very low149 Ų149124.3 Ų124.369%0.6965%0.652SS**Hα-helixtrans-88.2-20.2179.6-78.488.4000114.4I51H47-I51 WeakPolarHBondContact O-CG1 3.46Å
48S38.3Very low38.7Very low78 Ų78122.4 Ų122.455%0.54564%0.64SS.*Hα-helixtrans-76.6-29.1178.7-161.10000112.9H52S48-H52 WeakPolarHBondContact O-CB 3.34Å; S48-H52 PolarHBondContact O-N 3.37Å; S48-H52 VanDerWaalsContact O-N 3.11Å
49N41Very low39.3Very low114 Ų114121.3 Ų121.361%0.6163%0.627SS**Hα-helixtrans-77-34.1-178.5-72.2-28.6000112.4H53N49-H53 WeakPolarHBondContact O-CB 3.42Å; N49-H53 PolarHBondContact O-N 3.11Å
50T46.6Very low40.2Very low91 Ų91122.7 Ų122.756%0.55862%0.621SS**Hα-helixtrans-70.9-39.6177.2-500000111.7H53 Y54T50-H53 PolarHBondContact O-N 2.95Å; T50-Y54 PolarHBondContact O-N 3.41Å
51I42.8Very low40.9Very low117 Ų117125 Ų12560%0.662%0.623SS**Hα-helixtrans-69.4-39.8176.3-62.6173.8000110.7H47 Y54 N55H47-I51 WeakPolarHBondContact O-CG1 3.46Å; I51-Y54 PolarHBondContact O-N 2.95Å; I51-N55 WeakPolarHBondContact O-CB 3.42Å; I51-N55 PolarHBondContact O-N 3Å
52H43.4Very low41.6Very low120 Ų120119.6 Ų119.656%0.55660%0.602SS**Hα-helixtrans-64.2-39.9173.4-109.6-84.3000112.5S48 N55 E56S48-H52 WeakPolarHBondContact O-CB 3.34Å; S48-H52 PolarHBondContact O-N 3.37Å; S48-H52 VanDerWaalsContact O-N 3.11Å; H52-N55 PolarHBondContact O-N 3.32Å; H52-E56 WeakPolarHBondContact O-CB 3.35Å; H52-E56 PolarHBondContact O-N 3.08Å
53H44.2Very low42.5Very low121 Ų121116.5 Ų116.556%0.5659%0.588SS**Hα-helixtrans-69-33.8178.6-149.868000112.5N49 T50 N57N49-H53 WeakPolarHBondContact O-CB 3.42Å; N49-H53 PolarHBondContact O-N 3.11Å; T50-H53 PolarHBondContact O-N 2.95Å; H53-N57 PolarHBondContact CD2-ND2 2.97Å; H53-N57 VanDerWaalsContact CD2-ND2 3.32Å; H53-N57 PolarHBondContact NE2-ND2 3.12Å; H53-N57 WeakPolarHBondContact O-CB 3.37Å; H53-N57 PolarHBondContact O-N 3.31Å; H53-N57 VanDerWaalsContact O-N 3.08Å; H53-N57 PolarHBondContact O-ND2 3.31Å
54Y38.6Very low43.3Very low173 Ų173113.5 Ų113.568%0.67857%0.573SS**Hα-helixtrans-67.1-43.4172-121.3-91.6000111.5T50 I51 N57 Y58T50-Y54 PolarHBondContact O-N 3.41Å; I51-Y54 PolarHBondContact O-N 2.95Å; Y54-N57 PolarHBondContact O-N 2.84Å; Y54-Y58 VanDerWaalsContact O-CB 3.24Å; Y54-Y58 WeakPolarHBondContact O-CB 3.27Å; Y54-Y58 PolarHBondContact O-N 3.41Å
55N42.3Very low44Very low90 Ų90111.1 Ų111.148%0.48156%0.562SS.*Hα-helixtrans-72.6-35.5-178-143.2-11000111.9I51 H52 N59I51-N55 WeakPolarHBondContact O-CB 3.42Å; I51-N55 PolarHBondContact O-N 3Å; H52-N55 PolarHBondContact O-N 3.32Å; N55-N59 VanDerWaalsContact O-CB 3.27Å; N55-N59 WeakPolarHBondContact O-CB 3.24Å; N55-N59 VanDerWaalsContact O-CG 3.32Å; N55-N59 PolarHBondContact O-N 3.42Å; N55-N59 PolarHBondContact O-ND2 3.15Å; N55-N59 PolarHBondContact OD1-ND2 2.94Å
56E47.5Very low44.8Very low118 Ų118109.8 Ų109.855%0.55155%0.549SS*.Hα-helixtrans-68.2-42.5172.1-79.3-164.6164.900112.5H52 N59 R60H52-E56 WeakPolarHBondContact O-CB 3.35Å; H52-E56 PolarHBondContact O-N 3.08Å; E56-N59 PolarHBondContact O-N 3.42Å; E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.39Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E56-R60 PolarHBondContact O-N 3.28Å
57N45Very low45.1Very low69 Ų69110.3 Ų110.337%0.36955%0.548SS..Hα-helixtrans-67.5-37.7177-82.9-55.5000112.3H53 Y54 R60 H61H53-N57 PolarHBondContact CD2-ND2 2.97Å; H53-N57 VanDerWaalsContact CD2-ND2 3.32Å; H53-N57 PolarHBondContact NE2-ND2 3.12Å; H53-N57 WeakPolarHBondContact O-CB 3.37Å; H53-N57 PolarHBondContact O-N 3.31Å; H53-N57 VanDerWaalsContact O-N 3.08Å; H53-N57 PolarHBondContact O-ND2 3.31Å; Y54-N57 PolarHBondContact O-N 2.84Å; N57-R60 PolarHBondContact O-N 2.8Å; N57-H61 WeakPolarHBondContact O-CB 3.08Å; N57-H61 PolarHBondContact O-N 3.4Å
58Y39.1Very low45.5Very low149 Ų149109.1 Ų109.158%0.58454%0.543SS*.Hα-helixtrans-63.4-47.4173.6-173.3-100.3000111.2Y54 R60 H61 L62Y54-Y58 VanDerWaalsContact O-CB 3.24Å; Y54-Y58 WeakPolarHBondContact O-CB 3.27Å; Y54-Y58 PolarHBondContact O-N 3.41Å; Y58-R60 PolarHBondContact O-N 2.94Å; Y58-H61 PolarHBondContact O-N 3.07Å; Y58-L62 HydrophobicContact CD1-CD1 3.7Å; Y58-L62 HydrophobicContact CE1-CD1 3.23Å; Y58-L62 HydrophobicContact CE1-CG 4.28Å; Y58-L62 WeakPolarHBondContact O-CB 3.08Å; Y58-L62 PolarHBondContact O-N 2.92Å
59N44.4Very low45.8Very low70 Ų70111.3 Ų111.337%0.37454%0.54SS..Hα-helixtrans-65.8-36.7176.6-77.8-53.8000112.4N55 E56 H63N55-N59 VanDerWaalsContact O-CB 3.27Å; N55-N59 WeakPolarHBondContact O-CB 3.24Å; N55-N59 VanDerWaalsContact O-CG 3.32Å; N55-N59 PolarHBondContact O-N 3.42Å; N55-N59 PolarHBondContact O-ND2 3.15Å; N55-N59 PolarHBondContact OD1-ND2 2.94Å; E56-N59 PolarHBondContact O-N 3.42Å; N59-H63 VanDerWaalsContact O-CB 3.31Å; N59-H63 WeakPolarHBondContact O-CB 3.18Å; N59-H63 PolarHBondContact O-N 2.81Å; N59-H63 PolarHBondContact O-ND1 3.43Å
60R51.5Low46.2Very low188 Ų188109.5 Ų109.571%0.70953%0.53SS*.Hα-helixtrans-67.4-40.6175.1-75.7-114.4-64.9-146.3-2.5112.6E56 N57 Y58 H63 S64E56-R60 VanDerWaalsContact O-CB 3.29Å; E56-R60 WeakPolarHBondContact O-CB 3.39Å; E56-R60 WeakPolarHBondContact O-CG 3.39Å; E56-R60 PolarHBondContact O-N 3.28Å; N57-R60 PolarHBondContact O-N 2.8Å; Y58-R60 PolarHBondContact O-N 2.94Å; R60-H63 PolarHBondContact O-N 2.93Å; R60-S64 VanDerWaalsContact O-CB 3.27Å; R60-S64 WeakPolarHBondContact O-CB 3.29Å; R60-S64 PolarHBondContact O-N 2.94Å
61H48.9Very low46.4Very low149 Ų149109.5 Ų109.569%0.6953%0.534SS*.Hα-helixtrans-67.1-41.1175.4-100.586000111.9N57 Y58 S64 G65N57-H61 WeakPolarHBondContact O-CB 3.08Å; N57-H61 PolarHBondContact O-N 3.4Å; Y58-H61 PolarHBondContact O-N 3.07Å; H61-S64 PolarHBondContact O-N 3.42Å; H61-G65 PolarHBondContact O-N 2.95Å
62L47.2Very low46.9Very low82 Ų82109.3 Ų109.343%0.42953%0.533SS..Hα-helixtrans-64.1-45173.2-81.1172.5000112Y58 S64 G65 V66Y58-L62 HydrophobicContact CD1-CD1 3.7Å; Y58-L62 HydrophobicContact CE1-CD1 3.23Å; Y58-L62 HydrophobicContact CE1-CG 4.28Å; Y58-L62 WeakPolarHBondContact O-CB 3.08Å; Y58-L62 PolarHBondContact O-N 2.92Å; L62-S64 PolarHBondContact O-N 3.47Å; L62-G65 PolarHBondContact O-N 3.45Å; L62-V66 WeakPolarHBondContact O-CB 3.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.31Å; L62-V66 PolarHBondContact O-N 2.8Å
63H50Low47.2Very low118 Ų118107.7 Ų107.755%0.54653%0.525SS..Hα-helixtrans-64.2-39.3176.8-81.378.5000112N59 R60 Q67N59-H63 VanDerWaalsContact O-CB 3.31Å; N59-H63 WeakPolarHBondContact O-CB 3.18Å; N59-H63 PolarHBondContact O-N 2.81Å; N59-H63 PolarHBondContact O-ND1 3.43Å; R60-H63 PolarHBondContact O-N 2.93Å; H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 VanDerWaalsContact O-CG 3.3Å; H63-Q67 WeakPolarHBondContact O-CG 3.48Å; H63-Q67 PolarHBondContact O-N 3.2Å
64S50.9Low47.8Very low71 Ų71105.8 Ų105.850%0.49752%0.519SS..Hα-helixtrans-62.7-47.9174.4-176.90000111.3R60 H61 L62 V66 Q67 Q68R60-S64 VanDerWaalsContact O-CB 3.27Å; R60-S64 WeakPolarHBondContact O-CB 3.29Å; R60-S64 PolarHBondContact O-N 2.94Å; H61-S64 PolarHBondContact O-N 3.42Å; L62-S64 PolarHBondContact O-N 3.47Å; S64-V66 PolarHBondContact O-N 2.73Å; S64-Q67 PolarHBondContact O-N 3.37Å; S64-Q68 WeakPolarHBondContact O-CB 3.27Å; S64-Q68 PolarHBondContact O-N 3.47Å
65G46.7Very low48.7Very low36 Ų36101.4 Ų101.437%0.37151%0.512SS..Hα-helixtrans-63.3-40.1177.200000113.4H61 L62 Q68 Y69H61-G65 PolarHBondContact O-N 2.95Å; L62-G65 PolarHBondContact O-N 3.45Å; G65-Q68 PolarHBondContact O-N 2.72Å; G65-Y69 WeakPolarHBondContact O-CB 3.35Å; G65-Y69 PolarHBondContact O-N 3.5Å
66V52.5Low48.8Very low76 Ų76103.7 Ų103.746%0.46152%0.515SS..Hα-helixtrans-70.4-37.4176.6172.20000111.6L62 S64 Y69 N70L62-V66 WeakPolarHBondContact O-CB 3.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.31Å; L62-V66 PolarHBondContact O-N 2.8Å; S64-V66 PolarHBondContact O-N 2.73Å; V66-Y69 PolarHBondContact O-N 3.01Å; V66-N70 WeakPolarHBondContact O-CB 3.33Å; V66-N70 VanDerWaalsContact O-CG 3.27Å; V66-N70 PolarHBondContact O-N 2.81Å; V66-N70 PolarHBondContact O-ND2 3.27Å
67Q46.7Very low49.5Very low137 Ų137102.6 Ų102.664%0.6451%0.509SS*.Hα-helixtrans-68.6-37.3173.2-76.5-166.29.500112.1H63 S64 N70 S71H63-Q67 WeakPolarHBondContact O-CB 3.49Å; H63-Q67 VanDerWaalsContact O-CG 3.3Å; H63-Q67 WeakPolarHBondContact O-CG 3.48Å; H63-Q67 PolarHBondContact O-N 3.2Å; S64-Q67 PolarHBondContact O-N 3.37Å; Q67-N70 PolarHBondContact O-N 3.32Å; Q67-S71 WeakPolarHBondContact O-CB 3.33Å; Q67-S71 PolarHBondContact O-N 3.11Å
68Q48.5Very low50.2Low125 Ų125104 Ų10458%0.58452%0.516SS*.Hα-helixtrans-65.3-40.7174.2-132.7175.63.100111.3S64 G65 L72S64-Q68 WeakPolarHBondContact O-CB 3.27Å; S64-Q68 PolarHBondContact O-N 3.47Å; G65-Q68 PolarHBondContact O-N 2.72Å; Q68-L72 HydrophobicContact CG-CD1 4.25Å; Q68-L72 WeakPolarHBondContact O-CB 3.03Å; Q68-L72 PolarHBondContact O-N 2.94Å
69Y43.9Very low51Low123 Ų123103.3 Ų103.348%0.48251%0.514SS..Hα-helixtrans-60.3-49.8171.3-178.9-93.1000111.3G65 V66 S71 F73G65-Y69 WeakPolarHBondContact O-CB 3.35Å; G65-Y69 PolarHBondContact O-N 3.5Å; V66-Y69 PolarHBondContact O-N 3.01Å; Y69-S71 PolarHBondContact O-N 3.27Å; Y69-F73 HydrophobicContact CD2-CB 4.35Å; Y69-F73 HydrophobicContact CD2-CD2 4.28Å; Y69-F73 HydrophobicContact CD2-CG 4.37Å; Y69-F73 HydrophobicContact CE2-CB 4.25Å; Y69-F73 HydrophobicContact CE2-CG 4.34Å; Y69-F73 WeakPolarHBondContact O-CA 3.35Å; Y69-F73 VanDerWaalsContact O-CB 3.27Å; Y69-F73 WeakPolarHBondContact O-CB 3.4Å; Y69-F73 PolarHBondContact O-N 2.87Å
70N48.6Very low51.9Low76 Ų76103.5 Ų103.541%0.40651%0.514SS..Hα-helixtrans-67-32.6-179.2-73.9-28.2000113.3V66 Q67 N74V66-N70 WeakPolarHBondContact O-CB 3.33Å; V66-N70 VanDerWaalsContact O-CG 3.27Å; V66-N70 PolarHBondContact O-N 2.81Å; V66-N70 PolarHBondContact O-ND2 3.27Å; Q67-N70 PolarHBondContact O-N 3.32Å; N70-N74 WeakPolarHBondContact O-CB 3.45Å
71S52.6Low51.8Low91 Ų9197.9 Ų97.964%0.63650%0.498SS*.Hα-helixtrans-73.5-43.7178172.40000112.6Q67 Y69Q67-S71 WeakPolarHBondContact O-CB 3.33Å; Q67-S71 PolarHBondContact O-N 3.11Å; Y69-S71 PolarHBondContact O-N 3.27Å
72L51.8Low52.3Low113 Ų11399.8 Ų99.859%0.59250%0.499SS*.Hα-helixtrans-88.7-36.3-175.5-75.4160.8000113.5Q68Q68-L72 HydrophobicContact CG-CD1 4.25Å; Q68-L72 WeakPolarHBondContact O-CB 3.03Å; Q68-L72 PolarHBondContact O-N 2.94Å
73F50Low52.5Low87 Ų87102.1 Ų102.138%0.38250%0.503SS..Hα-helixtrans-103.5-25.9-168.7-77.5-95.4000114.5Y69 Y76 H77 F452Y69-F73 HydrophobicContact CD2-CB 4.35Å; Y69-F73 HydrophobicContact CD2-CD2 4.28Å; Y69-F73 HydrophobicContact CD2-CG 4.37Å; Y69-F73 HydrophobicContact CE2-CB 4.25Å; Y69-F73 HydrophobicContact CE2-CG 4.34Å; Y69-F73 WeakPolarHBondContact O-CA 3.35Å; Y69-F73 VanDerWaalsContact O-CB 3.27Å; Y69-F73 WeakPolarHBondContact O-CB 3.4Å; Y69-F73 PolarHBondContact O-N 2.87Å; F73-Y76 WeakPolarHBondContact O-CA 3.29Å; F73-Y76 WeakPolarHBondContact O-CB 3.45Å; F73-Y76 PolarHBondContact O-N 3.17Å; F73-H77 PolarHBondContact O-N 3.45Å; F73-F452 HydrophobicContact CE1-CD2 4.33Å; F73-F452 AromaticContact CE1-CE2 3.99Å; F73-F452 HydrophobicContact CE1-CE2 3.99Å; F73-F452 HydrophobicContact CZ-CD2 4.28Å; F73-F452 HydrophobicContact CZ-CE2 4.01Å
74N56.6Low52.3Low80 Ų80100.7 Ų100.743%0.42850%0.499SS..Hα-helixtrans-64.6-35.9-178.6-143.715.7000113.4N70 Y76 N78N70-N74 WeakPolarHBondContact O-CB 3.45Å; N74-Y76 VanDerWaalsContact C-N 3.3Å; N74-Y76 PolarHBondContact O-N 3.44Å; N74-N78 WeakPolarHBondContact O-CB 3.49Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.37Å
75P58.3Low52.5Low82 Ų82101.7 Ų101.753%0.53250%0.498SS..Hα-helixtrans-63.3-35.3169.8-21.933.6000112.9Y79P75-Y79 WeakPolarHBondContact O-CB 3.42Å; P75-Y79 PolarHBondContact O-N 3.07Å
76Y44.9Very low53Low138 Ų138104.4 Ų104.454%0.54151%0.508SS..Hα-helixtrans-72.5-42.2-180-135.5-87.8000111.5F73 N74 Y79 I80F73-Y76 WeakPolarHBondContact O-CA 3.29Å; F73-Y76 WeakPolarHBondContact O-CB 3.45Å; F73-Y76 PolarHBondContact O-N 3.17Å; N74-Y76 VanDerWaalsContact C-N 3.3Å; N74-Y76 PolarHBondContact O-N 3.44Å; Y76-Y79 WeakPolarHBondContact O-CB 3.19Å; Y76-Y79 PolarHBondContact O-N 3.24Å; Y76-I80 HydrophobicContact CD1-CD1 3.97Å; Y76-I80 HydrophobicContact CD1-CG1 4.5Å; Y76-I80 HydrophobicContact CE1-CD1 4.43Å; Y76-I80 WeakPolarHBondContact O-CG1 3.36Å; Y76-I80 PolarHBondContact O-N 3.24Å
77H61.1Low52.7Low95 Ų95106.9 Ų106.944%0.4451%0.514SS..Hα-helixtrans-67.4-39.2177.1-143.2-56.1000111.6F73 I80 N81F73-H77 PolarHBondContact O-N 3.45Å; H77-I80 PolarHBondContact O-N 3.18Å; H77-N81 PolarHBondContact ND1-ND2 3.47Å; H77-N81 VanDerWaalsContact O-CB 3.29Å; H77-N81 WeakPolarHBondContact O-CB 3.33Å; H77-N81 PolarHBondContact O-N 2.96Å; H77-N81 PolarHBondContact O-ND2 3.37Å
78N59.8Low52.6Low97 Ų97107.3 Ų107.352%0.51952%0.518SS..Hα-helixtrans-65.5-36.3171.8-79.7-46.1000112.3N74 R82N74-N78 WeakPolarHBondContact O-CB 3.49Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.37Å; N78-R82 WeakPolarHBondContact O-CB 3.3Å; N78-R82 PolarHBondContact O-N 2.86Å
79Y56.5Low52.4Low135 Ų135107 Ų10753%0.52952%0.52SS..Hα-helixtrans-66-44.8174.6-176.8-97000112.2P75 Y76 R82 W83P75-Y79 WeakPolarHBondContact O-CB 3.42Å; P75-Y79 PolarHBondContact O-N 3.07Å; Y76-Y79 WeakPolarHBondContact O-CB 3.19Å; Y76-Y79 PolarHBondContact O-N 3.24Å; Y79-R82 PolarHBondContact O-N 3.19Å; Y79-W83 AromaticContact CD1-CD1 3.75Å; Y79-W83 AromaticContact CE1-CD1 3.35Å; Y79-W83 HydrophobicContact CE1-CG 4.33Å; Y79-W83 AromaticContact CE1-NE1 3.45Å; Y79-W83 AromaticContact CE2-CD1 3.68Å; Y79-W83 AromaticContact CE2-NE1 3.43Å; Y79-W83 AromaticContact CZ-CD1 3.33Å; Y79-W83 AromaticContact CZ-NE1 2.97Å; Y79-W83 WeakPolarHBondContact O-CB 3.32Å; Y79-W83 PolarHBondContact O-N 3.36Å; Y79-W83 PolarHBondContact OH-NE1 2.68Å
80I62Low52.3Low74 Ų74107.9 Ų107.938%0.37953%0.534SS..Hα-helixtrans-63.6-44.8176.2-68.2169000110.6Y76 H77 R82 W83 N84Y76-I80 HydrophobicContact CD1-CD1 3.97Å; Y76-I80 HydrophobicContact CD1-CG1 4.5Å; Y76-I80 HydrophobicContact CE1-CD1 4.43Å; Y76-I80 WeakPolarHBondContact O-CG1 3.36Å; Y76-I80 PolarHBondContact O-N 3.24Å; H77-I80 PolarHBondContact O-N 3.18Å; I80-R82 VanDerWaalsContact C-N 3.32Å; I80-R82 PolarHBondContact O-N 2.77Å; I80-W83 PolarHBondContact O-N 2.84Å; I80-N84 WeakPolarHBondContact CG2-ND2 3.31Å; I80-N84 WeakPolarHBondContact O-CB 3.18Å; I80-N84 PolarHBondContact O-N 3.48Å; I80-N84 PolarHBondContact O-ND2 3.09Å
81N50.8Low51.9Low70 Ų70109.8 Ų109.837%0.37455%0.548SS..Hα-helixtrans-65.7-35.4177.5-70.7-15.8000111.9H77 N85H77-N81 PolarHBondContact ND1-ND2 3.47Å; H77-N81 VanDerWaalsContact O-CB 3.29Å; H77-N81 WeakPolarHBondContact O-CB 3.33Å; H77-N81 PolarHBondContact O-N 2.96Å; H77-N81 PolarHBondContact O-ND2 3.37Å; N81-N85 WeakPolarHBondContact O-CB 3.06Å; N81-N85 PolarHBondContact O-N 2.92Å; N81-N85 PolarHBondContact O-ND2 3.29Å
82R59.6Low51.1Low190 Ų190112.5 Ų112.572%0.71756%0.555SS**Hα-helixtrans-67.3-41.4173.3-165.4177.8-156.2-178.26.6111.4N78 Y79 I80 V86N78-R82 WeakPolarHBondContact O-CB 3.3Å; N78-R82 PolarHBondContact O-N 2.86Å; Y79-R82 PolarHBondContact O-N 3.19Å; I80-R82 VanDerWaalsContact C-N 3.32Å; I80-R82 PolarHBondContact O-N 2.77Å; R82-V86 WeakPolarHBondContact O-CG2 3.4Å; R82-V86 PolarHBondContact O-N 3.46Å
83W49.6Very low50.7Low131 Ų131112.6 Ų112.650%0.49656%0.562SS.*Hα-helixtrans-66.8-42.8176.3-97.289.1000112.9Y79 I80 V86 Q87Y79-W83 AromaticContact CD1-CD1 3.75Å; Y79-W83 AromaticContact CE1-CD1 3.35Å; Y79-W83 HydrophobicContact CE1-CG 4.33Å; Y79-W83 AromaticContact CE1-NE1 3.45Å; Y79-W83 AromaticContact CE2-CD1 3.68Å; Y79-W83 AromaticContact CE2-NE1 3.43Å; Y79-W83 AromaticContact CZ-CD1 3.33Å; Y79-W83 AromaticContact CZ-NE1 2.97Å; Y79-W83 WeakPolarHBondContact O-CB 3.32Å; Y79-W83 PolarHBondContact O-N 3.36Å; Y79-W83 PolarHBondContact OH-NE1 2.68Å; I80-W83 PolarHBondContact O-N 2.84Å; W83-V86 PolarHBondContact O-N 3.43Å; W83-Q87 WeakPolarHBondContact O-CG 3.45Å; W83-Q87 PolarHBondContact O-N 3.24Å
84N47.6Very low50Low87 Ų87114.6 Ų114.647%0.46558%0.584SS.*Hα-helixtrans-66.1-38.6176.9-72.6-25.6000111.5I80 Q87 M88I80-N84 WeakPolarHBondContact CG2-ND2 3.31Å; I80-N84 WeakPolarHBondContact O-CB 3.18Å; I80-N84 PolarHBondContact O-N 3.48Å; I80-N84 PolarHBondContact O-ND2 3.09Å; N84-Q87 PolarHBondContact O-N 3.09Å; N84-M88 WeakPolarHBondContact O-CB 3.29Å; N84-M88 VanDerWaalsContact O-CG 3.28Å; N84-M88 WeakPolarHBondContact O-CG 3.44Å; N84-M88 PolarHBondContact O-N 3.41Å
85N53.5Low48.9Very low92 Ų92117.7 Ų117.749%0.49261%0.605SS.*Hα-helixtrans-66.7-34172.9-84.2-58.7000113N81 N89N81-N85 WeakPolarHBondContact O-CB 3.06Å; N81-N85 PolarHBondContact O-N 2.92Å; N81-N85 PolarHBondContact O-ND2 3.29Å; N85-N89 WeakPolarHBondContact O-CB 3.18Å; N85-N89 PolarHBondContact O-N 3.32Å; N85-N89 PolarHBondContact O-ND2 3.29Å
86V57.4Low48.2Very low93 Ų93122.7 Ų122.756%0.56462%0.622SS**Hα-helixtrans-71.1-30.5174.9170.50000112R82 W83R82-V86 WeakPolarHBondContact O-CG2 3.4Å; R82-V86 PolarHBondContact O-N 3.46Å; W83-V86 PolarHBondContact O-N 3.43Å
87Q46.9Very low47.6Very low129 Ų129123.3 Ų123.360%0.60364%0.635SS**Hα-helixtrans-80.5-32.1176.5-68.4-70.8-66.800112.9W83 N84W83-Q87 WeakPolarHBondContact O-CG 3.45Å; W83-Q87 PolarHBondContact O-N 3.24Å; N84-Q87 PolarHBondContact O-N 3.09Å
88M44.6Very low46.4Very low146 Ų146123.1 Ų123.172%0.71965%0.649SS**Hα-helixtrans-92-19.8-177.2-63.4-64.5177.800114.3N84N84-M88 WeakPolarHBondContact O-CB 3.29Å; N84-M88 VanDerWaalsContact O-CG 3.28Å; N84-M88 WeakPolarHBondContact O-CG 3.44Å; N84-M88 PolarHBondContact O-N 3.41Å
89N44.2Very low45.4Very low117 Ų117124.6 Ų124.663%0.62666%0.662SS**  trans-98.718.2179-64.5-23.5000114.2N85 V91N85-N89 WeakPolarHBondContact O-CB 3.18Å; N85-N89 PolarHBondContact O-N 3.32Å; N85-N89 PolarHBondContact O-ND2 3.29Å; N89-V91 PolarHBondContact O-N 2.92Å
90N41.7Very low44.8Very low143 Ų143126.2 Ų126.277%0.76568%0.676SS**  trans-85.444175.2-148.921000112.4
91V41.3Very low44.1Very low116 Ų116129.4 Ų129.470%0.70369%0.694SS**SBendtrans-107.195.9170.3-178.30000107N89N89-V91 PolarHBondContact O-N 2.92Å
92N35.1Very low43.8Very low147 Ų147130.4 Ų130.479%0.78670%0.702SS**  trans29.398.7162.2-59.5-37.5000118.2
93P42.5Very low43.1Very low115 Ų115126 Ų12675%0.74770%0.697SS**  trans-80.2143.7158.231.2-29000111.1
94P36.3Very low42.9Very low129 Ų129128 Ų12884%0.83871%0.709SS**  trans-74.3154.2-174.830.8-33000112.7E96P94-E96 PolarHBondContact O-N 2.93Å
95V33.7Very low42.9Very low145 Ų145127.7 Ų127.788%0.87971%0.711SS**  trans-72.4113.6179.61780000109.7
96E42Very low42.3Very low188 Ų188129.4 Ų129.488%0.87972%0.717SS**  trans-164.2122.7156.9-108.6162.4-148.500111.2P94P94-E96 PolarHBondContact O-N 2.93Å
97D32.7Very low41.9Very low151 Ų151133.6 Ų133.681%0.80772%0.723SS**  trans26.297163.2-75.1-23.6000121.3
98A36.8Very low41.9Very low90 Ų90133.2 Ų133.274%0.74472%0.724SS**  trans-15448.9150.400000111.7M100A98-M100 VanDerWaalsContact C-N 3.3Å; A98-M100 PolarHBondContact O-N 2.86Å; A98-M100 VanDerWaalsContact O-N 3.09Å
99T39.4Very low42Very low128 Ų128133.1 Ų133.179%0.78572%0.722SS**  trans-8271.6172.750.60000110.8
100M43.9Very low42.2Very low170 Ų170137.1 Ų137.184%0.83773%0.728SS**SBendtrans175.385.5154.5-98-154.2-87.700107.4A98A98-M100 VanDerWaalsContact C-N 3.3Å; A98-M100 PolarHBondContact O-N 2.86Å; A98-M100 VanDerWaalsContact O-N 3.09Å
101N46.7Very low42.6Very low140 Ų140135.7 Ų135.775%0.74972%0.72SS**SBendtrans178.5-11.8157-89.1-24.3000113.5T105N101-T105 PolarHBondContact O-OG1 3.09Å
102V44Very low43.1Very low91 Ų91137.4 Ų137.455%0.55272%0.72SS**Hα-helixtrans-78.9-21.9179.8-178.50000113T105 M106V102-T105 PolarHBondContact O-OG1 3.16Å; V102-M106 HydrophobicContact CG1-CE 4.45Å; V102-M106 HydrophobicContact CG1-CG 3.98Å; V102-M106 VanDerWaalsContact O-CB 3.28Å; V102-M106 WeakPolarHBondContact O-CB 3.24Å; V102-M106 WeakPolarHBondContact O-CG 2.89Å; V102-M106 PolarHBondContact O-N 3.45Å
103T45.6Very low43.8Very low97 Ų97136.3 Ų136.360%0.59571%0.71SS**Hα-helixtrans-79.6-23.4-174.5-40.40000113.8
104K45.6Very low44.3Very low174 Ų174134.1 Ų134.176%0.75770%0.698SS**Hα-helixtrans-85.8-34.2178.5-152.9169.5-174.3176.10112
105T46.9Very low45Very low81 Ų81134.6 Ų134.650%0.49769%0.689SS.*Hα-helixtrans-78-30.8176.951.10000113N101 V102 H109N101-T105 PolarHBondContact O-OG1 3.09Å; V102-T105 PolarHBondContact O-OG1 3.16Å; T105-H109 PolarHBondContact O-N 3.01Å; T105-H109 PolarHBondContact O-ND1 3.42Å
106M42.2Very low45.8Very low128 Ų128136.1 Ų136.163%0.63168%0.679SS**Hα-helixtrans-71.7-28.6171.8-74.9-99.3-109.300113.3V102 R110V102-M106 HydrophobicContact CG1-CE 4.45Å; V102-M106 HydrophobicContact CG1-CG 3.98Å; V102-M106 VanDerWaalsContact O-CB 3.28Å; V102-M106 WeakPolarHBondContact O-CB 3.24Å; V102-M106 WeakPolarHBondContact O-CG 2.89Å; V102-M106 PolarHBondContact O-N 3.45Å; M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.46Å; M106-R110 PolarHBondContact O-N 3.33Å
107R47.7Very low46.2Very low180 Ų180135.8 Ų135.868%0.67967%0.67SS**Hα-helixtrans-73.7-31.8176.8-92.9-177.6174.1128.8-3.5113.3
108L47.5Very low47.2Very low122 Ų122134.2 Ų134.264%0.63966%0.657SS**Hα-helixtrans-77.2-37.2177.4-75.3163.3000112.8R110L108-R110 PolarHBondContact O-N 3.11Å
109H46.9Very low47.8Very low144 Ų144137.1 Ų137.167%0.66766%0.655SS**Hα-helixtrans-73.5-25.8177.1-74.884.4000113.6T105 H113T105-H109 PolarHBondContact O-N 3.01Å; T105-H109 PolarHBondContact O-ND1 3.42Å; H109-H113 PolarHBondContact O-N 2.96Å
110R48.1Very low48.3Very low200 Ų200136.1 Ų136.176%0.75564%0.642SS**Hα-helixtrans-74.2-28.3179.4-162.9169.2-174.9158.9-0.6113.1M106 L108 S114M106-R110 VanDerWaalsContact O-CB 3.31Å; M106-R110 WeakPolarHBondContact O-CB 3.46Å; M106-R110 PolarHBondContact O-N 3.33Å; L108-R110 PolarHBondContact O-N 3.11Å; R110-S114 PolarHBondContact O-N 3.25Å
111N49.7Very low48.6Very low113 Ų113136.6 Ų136.660%0.60463%0.634SS**Hα-helixtrans-79.4-36.5179-78.8-20.1000113.2S114 Q115N111-S114 PolarHBondContact O-N 3.33Å; N111-Q115 PolarHBondContact O-N 3.31Å
112H52.1Low48.7Very low152 Ų152137 Ų13770%0.70463%0.631SS**Hα-helixtrans-69.6-31.9174.5-91.6-77.3000113.3R116H112-R116 PolarHBondContact O-N 2.85Å
113H50.6Low49.1Very low124 Ų124140.3 Ų140.357%0.57464%0.64SS**Hα-helixtrans-76.2-24.3178.4-118.6-39.5000113.7H109 R117H109-H113 PolarHBondContact O-N 2.96Å; H113-R117 WeakPolarHBondContact O-CG 3.29Å; H113-R117 PolarHBondContact O-N 3.43Å
114S51.5Low49.2Very low69 Ų69140.8 Ų140.848%0.48364%0.639SS.*Hα-helixtrans-78.9-38.5179.6-151.20000112.3R110 N111 R117 Q118R110-S114 PolarHBondContact O-N 3.25Å; N111-S114 PolarHBondContact O-N 3.33Å; S114-R117 PolarHBondContact O-N 2.86Å; S114-Q118 WeakPolarHBondContact O-CG 3.44Å; S114-Q118 PolarHBondContact O-N 3.47Å
115Q52.3Low49.4Very low140 Ų140136.5 Ų136.565%0.65462%0.624SS**Hα-helixtrans-69.9-36.4175.2-68.7-170.211.500112.6N111 R117 Q118 H119N111-Q115 PolarHBondContact O-N 3.31Å; Q115-R117 VanDerWaalsContact C-N 3.29Å; Q115-R117 PolarHBondContact O-N 2.86Å; Q115-Q118 PolarHBondContact O-N 3.47Å; Q115-H119 PolarHBondContact O-N 3.35Å
116R50.2Low49.7Very low176 Ų176140.3 Ų140.366%0.66464%0.636SS**Hα-helixtrans-68.9-26.4178.1-150.3175.1-177.6-148.9-0.4113.1H112 H120H112-R116 PolarHBondContact O-N 2.85Å; R116-H120 PolarHBondContact O-N 2.92Å; R116-H120 PolarHBondContact O-ND1 2.88Å
117R50.4Low49.9Very low182 Ų182141 Ų14169%0.68764%0.638SS**Hα-helixtrans-78.8-25176.1-80.3-174.7169.6-160.9-1.1113.9H113 S114 Q115 R121H113-R117 WeakPolarHBondContact O-CG 3.29Å; H113-R117 PolarHBondContact O-N 3.43Å; S114-R117 PolarHBondContact O-N 2.86Å; Q115-R117 VanDerWaalsContact C-N 3.29Å; Q115-R117 PolarHBondContact O-N 2.86Å; R117-R121 PolarHBondContact O-N 3.32Å
118Q53Low49.7Very low118 Ų118140.5 Ų140.555%0.55164%0.636SS**Hα-helixtrans-73.3-44.6175.5-67.1-97.3-8.700110.8S114 Q115 H120 R121S114-Q118 WeakPolarHBondContact O-CG 3.44Å; S114-Q118 PolarHBondContact O-N 3.47Å; Q115-Q118 PolarHBondContact O-N 3.47Å; Q118-H120 PolarHBondContact O-N 3.45Å; Q118-R121 PolarHBondContact O-N 3.1Å
119H50.1Low49.8Very low150 Ų150141 Ų14169%0.69464%0.635SS**Hα-helixtrans-67.3-30.9176.9-77-76.4000114Q115 R121Q115-H119 PolarHBondContact O-N 3.35Å; H119-R121 VanDerWaalsContact C-N 3.34Å
120H49.2Very low49.7Very low108 Ų108139.8 Ų139.850%0.563%0.633SS.*Hα-helixtrans-79.6-12.1176.3-77.767000114.2R116 Q118 N124R116-H120 PolarHBondContact O-N 2.92Å; R116-H120 PolarHBondContact O-ND1 2.88Å; Q118-H120 PolarHBondContact O-N 3.45Å; H120-N124 PolarHBondContact O-ND2 2.86Å
121R49.6Very low49.5Very low180 Ų180134.9 Ų134.968%0.67962%0.622SS**Hα-helixtrans-83-27.8175.4-90.4-178.6176.2166.4-1.9113R117 Q118 H119 N125R117-R121 PolarHBondContact O-N 3.32Å; Q118-R121 PolarHBondContact O-N 3.1Å; H119-R121 VanDerWaalsContact C-N 3.34Å; R121-N125 PolarHBondContact O-ND2 3.46Å
122H49.7Very low49.4Very low148 Ų148134.7 Ų134.769%0.68562%0.617SS**Hα-helixtrans-80.7-30.1177.5-76.3-40.2000113.6
123H51.7Low49.3Very low160 Ų160134.8 Ų134.874%0.74162%0.618SS**Hα-helixtrans-79.3-23.8176-106.6-8.9000114.9
124N47.9Very low49.1Very low107 Ų107135.1 Ų135.157%0.57262%0.623SS**THydrogen-bonded Turntrans-84.9-9.9-179.7-83.4-51.6000114.7H120H120-N124 PolarHBondContact O-ND2 2.86Å
125N50Low48.7Very low85 Ų85139.1 Ų139.146%0.45563%0.634SS.*THydrogen-bonded Turntrans-91.6-18.9-179.2-82.2-25.5000114R121 H129R121-N125 PolarHBondContact O-ND2 3.46Å; N125-H129 PolarHBondContact O-ND1 2.69Å
126H52.3Low48.1Very low160 Ų160140 Ų14074%0.74164%0.638SS**THydrogen-bonded Turntrans-83.4-24.9175.6-90.236.7000113.9
127H46.7Very low47.6Very low144 Ų144139.5 Ų139.567%0.66764%0.644SS**THydrogen-bonded Turntrans-85-8.6174.2-91.4-29.5000114.8
128R43.8Very low47.1Very low168 Ų168139.4 Ų139.463%0.63465%0.649SS**THydrogen-bonded Turntrans-87-16.6-178.9-163172.2168.5-170.5-4.5113.6Q132R128-Q132 PolarHBondContact O-NE2 3.48Å
129H49.7Very low46.1Very low134 Ų134141.2 Ų141.262%0.6266%0.657SS**THydrogen-bonded Turntrans-96.6-21.4-179.9-75.785.4000114.1N125N125-H129 PolarHBondContact O-ND1 2.69Å
130N44.1Very low45.7Very low117 Ų117140 Ų14063%0.62666%0.663SS**SBendtrans-87.5-9174.6-94.2-11.7000114.7
131N44.4Very low45.3Very low97 Ų97143 Ų14352%0.51968%0.676SS.*SBendtrans-95.6-4.3176.4-100.5-57.1000114
132Q47.9Very low44.7Very low110 Ų110141.7 Ų141.751%0.51468%0.683SS.*SBendtrans-91.5-13178.7-70.917948.600113.3R128 Q136R128-Q132 PolarHBondContact O-NE2 3.48Å; Q132-Q136 PolarHBondContact O-NE2 3.22Å; Q132-Q136 VanDerWaalsContact O-NE2 3.1Å
133Q49.8Very low44.7Very low154 Ų154142.2 Ų142.272%0.7269%0.689SS**SBendtrans-99.8-14.9177.8-76.5179.72.100114.4
134L46Very low44.7Very low130 Ų130142.9 Ų142.968%0.68169%0.69SS**SBendtrans-96.9-3.3175.3-93.6120.2000114.8
135Q42.7Very low44.4Very low154 Ų154142.9 Ų142.972%0.7270%0.695SS**SBendtrans-91.2-1.7174.8-79.4176.932.900113.7
136Q41.2Very low44.2Very low158 Ų158144.3 Ų144.374%0.73871%0.711SS**SBendtrans-95.76.1-178.8-70.4177.865.400113.8Q132Q132-Q136 PolarHBondContact O-NE2 3.22Å; Q132-Q136 VanDerWaalsContact O-NE2 3.1Å
137Q40.3Very low43.6Very low165 Ų165143.2 Ų143.277%0.77171%0.711SS**SBendtrans-121.28.2-173.4-142172.36.100115.7
138F38.4Very low43.5Very low181 Ų181144 Ų14479%0.79472%0.719SS**  trans-129.581.5170.2-69.9-80.5000109.8P140F138-P140 WeakPolarHBondContact O-CD 3.42Å
139Q32.5Very low44Very low156 Ų156142 Ų14273%0.72972%0.719SS**  trans-76119.7169.5-63.9-138.650.100108.6H141Q139-H141 PolarHBondContact O-CE1 3.03Å; Q139-H141 PolarHBondContact O-N 3.5Å; Q139-H141 PolarHBondContact O-ND1 3.21Å
140P42.3Very low44Very low125 Ų125140 Ų14081%0.81272%0.717SS**  trans-73.4114.2172.430.9-28.8000107.3F138 N142F138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-N142 PolarHBondContact O-N 3.28Å
141H39.6Very low44.6Very low169 Ų169142 Ų14278%0.78272%0.723SS**  trans-65.4109.6-179.6-35.4-56.1000109.5Q139Q139-H141 PolarHBondContact O-CE1 3.03Å; Q139-H141 PolarHBondContact O-N 3.5Å; Q139-H141 PolarHBondContact O-ND1 3.21Å
142N36.8Very low45.5Very low153 Ų153143.7 Ų143.782%0.81873%0.731SS**  trans3980147.7-152.1-1.8000117.3P140P140-N142 PolarHBondContact O-N 3.28Å
143I50Low46.6Very low159 Ų159144 Ų14482%0.81573%0.733SS**  trans-111.9119.4159.9-55.8174000106.3
144K51.5Low48.2Very low175 Ų175141.3 Ų141.376%0.76173%0.729SS**  trans-48.9136.1179.1-65.4178.6179.1179.90110.2C146K144-C146 PolarHBondContact O-N 3.11Å; K144-C146 VanDerWaalsContact O-N 3.08Å
145P41.7Very low50.1Low106 Ų106140.9 Ų140.969%0.68872%0.721SS**  trans-59.1118.2169.3-11.224.8000107.3D147P145-D147 PolarHBondContact O-N 3.41Å
146C45.9Very low52.2Low115 Ų115134.6 Ų134.678%0.77769%0.694SS**  trans-7284.5163.6-73.60000106.7K144K144-C146 PolarHBondContact O-N 3.11Å; K144-C146 VanDerWaalsContact O-N 3.08Å
147D41.1Very low54.5Low138 Ų138134.9 Ų134.974%0.73870%0.7SS**  trans-60.8130.3161.2-69-40.2000107.5P145P145-D147 PolarHBondContact O-N 3.41Å
148L43.5Very low57Low161 Ų161130.8 Ų130.884%0.84368%0.68SS**  trans88.863.7-178.5-46.3172.6000116.2T150L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.67Å
149I54.5Low59.7Low125 Ų125125.1 Ų125.164%0.64166%0.663SS**  trans-77.389.9147.6-54.4173000105.8E151I149-E151 PolarHBondContact O-N 2.76Å
150T48.8Very low62.7Low93 Ų93120.9 Ų120.957%0.57164%0.641SS**  trans-61.2128.1166.7-25.20000107.1L148 D152L148-T150 VanDerWaalsContact C-N 3.26Å; L148-T150 PolarHBondContact O-N 2.67Å; T150-D152 PolarHBondContact O-N 2.93Å
151E58.5Low65.3Low159 Ų159115.2 Ų115.274%0.74360%0.604SS**THydrogen-bonded Turntrans-63.913.4-179.2-73.4-74.9154.600114.2I149I149-E151 PolarHBondContact O-N 2.76Å
152D61.8Low68Low131 Ų131107.2 Ų107.270%0.70157%0.567SS**THydrogen-bonded Turntrans-122.920.2-166.4-62.4-47000114.3T150 P154T150-D152 PolarHBondContact O-N 2.93Å; D152-P154 VanDerWaalsContact O-CD 3.26Å; D152-P154 WeakPolarHBondContact O-CD 3.3Å
153E71.4Confident70.9Confident118 Ų118100 Ų10055%0.55153%0.528SS*.  trans-67.2115.7170.3-87.1-68.9160.200109.7Y191E153-Y191 WeakPolarHBondContact O-CD2 3.04Å
154P83Confident73.2Confident97 Ų9792.4 Ų92.463%0.6349%0.489SS*.PPolyproline II helixtrans-66.1146.6-173.326.8-33.7000110.4D152 P156D152-P154 VanDerWaalsContact O-CD 3.26Å; D152-P154 WeakPolarHBondContact O-CD 3.3Å; P154-P156 WeakPolarHBondContact O-CD 3.47Å
155K87.1Confident75.3Confident121 Ų12184 Ų8453%0.52645%0.453SS..PPolyproline II helixtrans-55.5127.1172.6-177.4-179.3177.4-174.10108.5N157 Y191K155-N157 PolarHBondContact O-N 2.93Å; K155-Y191 HydrophobicContact CB-CD2 4.22Å; K155-Y191 HydrophobicContact CB-CE1 4.19Å; K155-Y191 HydrophobicContact CB-CE2 3.69Å; K155-Y191 HydrophobicContact CD-CE1 4.46Å; K155-Y191 HydrophobicContact CG-CD1 4.44Å; K155-Y191 HydrophobicContact CG-CE1 3.84Å; K155-Y191 HydrophobicContact CG-CE2 4.25Å
156P87.2Confident78Confident21 Ų2182.2 Ų82.214%0.13643%0.434CS..PPolyproline II helixtrans-58.6138.6179.7-25.734.4000111.9P154 F158 Y189 F192P154-P156 WeakPolarHBondContact O-CD 3.47Å; P156-F158 HydrophobicContact CB-CD2 4.27Å; P156-F158 PolarHBondContact O-N 2.9Å; P156-Y189 HydrophobicContact CB-CD1 3.78Å; P156-Y189 HydrophobicContact CB-CE1 3.86Å; P156-Y189 HydrophobicContact CB-CG 4.34Å; P156-Y189 HydrophobicContact CG-CD1 3.25Å; P156-Y189 HydrophobicContact CG-CD2 4.43Å; P156-Y189 HydrophobicContact CG-CE1 3.89Å; P156-Y189 HydrophobicContact CG-CG 3.56Å; P156-F192 HydrophobicContact CG-CE2 4.06Å
157N89.5Confident80.4Confident164 Ų16476.7 Ų76.788%0.87740%0.397SS*.SBendtrans-74.340.6174.5-66.2-15.7000112.3K155K155-N157 PolarHBondContact O-N 2.93Å
158F91.5Very high83.1Confident79 Ų7970.1 Ų70.135%0.34636%0.362SS..  trans-121.1135.9176-69.6-70000109.9P156 L163 K166 Y189 F242P156-F158 HydrophobicContact CB-CD2 4.27Å; P156-F158 PolarHBondContact O-N 2.9Å; F158-L163 HydrophobicContact CB-CD2 3.86Å; F158-L163 HydrophobicContact CB-CG 3.99Å; F158-K166 HydrophobicContact CE1-CD 4.44Å; F158-K166 HydrophobicContact CZ-CD 4.45Å; F158-Y189 HydrophobicContact CD2-CE1 4.46Å; F158-F242 HydrophobicContact CE1-CE2 4.43Å
159S94.8Very high85.7Confident63 Ų6363.8 Ų63.844%0.44133%0.328SS..  trans-64159.6166.470.50000109.9I161 G162 L163S159-I161 PolarHBondContact O-N 3.21Å; S159-I161 VanDerWaalsContact O-N 3.17Å; S159-G162 WeakPolarHBondContact O-CA 3.15Å; S159-G162 PolarHBondContact O-N 3.32Å; S159-G162 PolarHBondContact OG-N 2.9Å; S159-G162 VanDerWaalsContact OG-N 3.15Å; S159-L163 PolarHBondContact O-N 3.05Å
160Y96.7Very high87.7Confident66 Ų6661 Ų6126%0.25932%0.32SS..Hα-helixtrans-55.6-33.5173.3-70.5-61.8000112.3L163 I164 F192 I203Y160-L163 HydrophobicContact CD1-CD1 4.15Å; Y160-L163 PolarHBondContact O-N 3.19Å; Y160-I164 WeakPolarHBondContact O-CB 3.22Å; Y160-I164 WeakPolarHBondContact O-CD1 3.41Å; Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3.29Å; Y160-F192 HydrophobicContact CE1-CE1 4.28Å; Y160-I203 HydrophobicContact CD1-CD1 3.72Å; Y160-I203 HydrophobicContact CD1-CG1 4.48Å; Y160-I203 HydrophobicContact CE1-CD1 4.45Å; Y160-I203 HydrophobicContact CG-CD1 4.47Å
161I96.4Very high89.9Confident7 Ų758.3 Ų58.34%0.03630%0.303CS..Hα-helixtrans-61.2-47.8173.4-62.5166.1000110.3S159 L163 I164 A165 N210 F213 F237 R244S159-I161 PolarHBondContact O-N 3.21Å; S159-I161 VanDerWaalsContact O-N 3.17Å; I161-L163 PolarHBondContact O-N 3.28Å; I161-I164 PolarHBondContact O-N 3.3Å; I161-A165 VanDerWaalsContact O-CB 3.23Å; I161-A165 WeakPolarHBondContact O-CB 3.41Å; I161-A165 PolarHBondContact O-N 2.95Å; I161-N210 WeakPolarHBondContact CD1-OD1 3.2Å; I161-F213 HydrophobicContact CB-CE2 4.43Å; I161-F213 HydrophobicContact CG1-CE2 4.38Å; I161-F213 HydrophobicContact CG2-CE2 4.12Å; I161-F213 HydrophobicContact CG2-CZ 3.97Å; I161-F237 HydrophobicContact CG2-CE2 4.48Å; I161-F237 HydrophobicContact CG2-CZ 4.02Å; I161-R244 HydrophobicContact CD1-CB 3.47Å; I161-R244 VanDerWaalsContact CD1-CB 3.47Å; I161-R244 HydrophobicContact CD1-CG 3.48Å; I161-R244 VanDerWaalsContact CD1-CG 3.48Å
162G96.3Very high91.6Very high0 Ų059.9 Ų59.90%031%0.311CS..Hα-helixtrans-63.1-38.8176.900000113.3S159 A165 K166S159-G162 WeakPolarHBondContact O-CA 3.15Å; S159-G162 PolarHBondContact O-N 3.32Å; S159-G162 PolarHBondContact OG-N 2.9Å; S159-G162 VanDerWaalsContact OG-N 3.15Å; G162-A165 PolarHBondContact O-N 3.31Å; G162-K166 WeakPolarHBondContact O-CB 3.49Å; G162-K166 WeakPolarHBondContact O-CG 3.13Å; G162-K166 PolarHBondContact O-N 2.93Å
163L97Very high93.2Very high1 Ų159.3 Ų59.31%0.00530%0.304CS..Hα-helixtrans-63.2-48.3176.1-67.1175.3000111.7F158 S159 Y160 I161 A167 I185 Y189 F192F158-L163 HydrophobicContact CB-CD2 3.86Å; F158-L163 HydrophobicContact CB-CG 3.99Å; S159-L163 PolarHBondContact O-N 3.05Å; Y160-L163 HydrophobicContact CD1-CD1 4.15Å; Y160-L163 PolarHBondContact O-N 3.19Å; I161-L163 PolarHBondContact O-N 3.28Å; L163-A167 PolarHBondContact O-N 3.4Å; L163-I185 HydrophobicContact CB-CD1 4.15Å; L163-I185 HydrophobicContact CB-CG1 4.44Å; L163-Y189 HydrophobicContact CD2-CD2 3.68Å; L163-Y189 HydrophobicContact CD2-CE2 3.27Å; L163-F192 HydrophobicContact CD1-CE2 3.82Å; L163-F192 HydrophobicContact CD1-CZ 3.63Å
164I97.9Very high94.3Very high0 Ų058.5 Ų58.50%030%0.296CS..Hα-helixtrans-64-44.4178-65.9162.6000110.4Y160 I161 K166 A167 I168 I181 I203 N206 L207 F213Y160-I164 WeakPolarHBondContact O-CB 3.22Å; Y160-I164 WeakPolarHBondContact O-CD1 3.41Å; Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3.29Å; I161-I164 PolarHBondContact O-N 3.3Å; I164-K166 PolarHBondContact O-N 3.4Å; I164-A167 WeakPolarHBondContact O-CB 3.49Å; I164-A167 PolarHBondContact O-N 2.83Å; I164-I168 HydrophobicContact CG2-CD1 3.78Å; I164-I168 HydrophobicContact CG2-CG1 4.44Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 3Å; I164-I181 HydrophobicContact CG1-CG2 4.37Å; I164-I181 HydrophobicContact CG2-CD1 4.47Å; I164-I203 HydrophobicContact CD1-CD1 4.06Å; I164-I203 HydrophobicContact CD1-CG2 4.26Å; I164-I203 HydrophobicContact CG1-CD1 3.86Å; I164-I203 HydrophobicContact CG1-CG2 4.3Å; I164-N206 HydrophobicContact CD1-CB 3.79Å; I164-L207 HydrophobicContact CD1-CD2 4.23Å; I164-L207 HydrophobicContact CD1-CG 4.1Å; I164-L207 HydrophobicContact CG2-CD2 3.65Å; I164-F213 HydrophobicContact CB-CE1 4.14Å; I164-F213 HydrophobicContact CB-CE2 4.11Å; I164-F213 HydrophobicContact CB-CZ 3.68Å; I164-F213 HydrophobicContact CD1-CE2 4.14Å; I164-F213 HydrophobicContact CG2-CD1 3.89Å; I164-F213 HydrophobicContact CG2-CD2 4.29Å; I164-F213 HydrophobicContact CG2-CE1 3.46Å; I164-F213 VanDerWaalsContact CG2-CE1 3.46Å; I164-F213 HydrophobicContact CG2-CE2 3.89Å; I164-F213 HydrophobicContact CG2-CG 4.29Å; I164-F213 HydrophobicContact CG2-CZ 3.47Å; I164-F213 VanDerWaalsContact CG2-CZ 3.47Å
165A97.4Very high95Very high0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-59.6-48.5179.100000111.3I161 G162 A167 I168 L169 F237 F242I161-A165 VanDerWaalsContact O-CB 3.23Å; I161-A165 WeakPolarHBondContact O-CB 3.41Å; I161-A165 PolarHBondContact O-N 2.95Å; G162-A165 PolarHBondContact O-N 3.31Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 3.41Å; A165-I168 PolarHBondContact O-N 2.85Å; A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 WeakPolarHBondContact O-CG 3.25Å; A165-L169 PolarHBondContact O-N 3.43Å; A165-F237 HydrophobicContact CB-CD2 3.51Å; A165-F237 HydrophobicContact CB-CE2 3.86Å; A165-F237 HydrophobicContact CB-CG 4.21Å; A165-F242 HydrophobicContact CB-CD1 3.57Å; A165-F242 HydrophobicContact CB-CE1 3.65Å
166K97.1Very high95.4Very high67 Ų6752.4 Ų52.429%0.29126%0.258SS..Hα-helixtrans-61.5-38.6176.4-72.1177.6-177.5-80.70112.5F158 G162 I164 L169 S170 W184 F242F158-K166 HydrophobicContact CE1-CD 4.44Å; F158-K166 HydrophobicContact CZ-CD 4.45Å; G162-K166 WeakPolarHBondContact O-CB 3.49Å; G162-K166 WeakPolarHBondContact O-CG 3.13Å; G162-K166 PolarHBondContact O-N 2.93Å; I164-K166 PolarHBondContact O-N 3.4Å; K166-L169 PolarHBondContact O-N 2.99Å; K166-S170 PolarHBondContact O-N 3.13Å; K166-S170 VanDerWaalsContact O-N 3.07Å; K166-W184 HydrophobicContact CB-CH2 3.42Å; K166-W184 VanDerWaalsContact CB-CH2 3.42Å; K166-W184 HydrophobicContact CB-CZ2 4.1Å; K166-W184 HydrophobicContact CB-CZ3 4.09Å; K166-F242 HydrophobicContact CG-CE2 4.45Å; K166-F242 HydrophobicContact CG-CZ 4.04Å
167A97.7Very high95.9Very high0 Ų051.9 Ų51.90%025%0.254CS..Hα-helixtrans-59.5-52.8175.100000111.1L163 I164 A165 L169 S170 M176 I181 W184L163-A167 PolarHBondContact O-N 3.4Å; I164-A167 WeakPolarHBondContact O-CB 3.49Å; I164-A167 PolarHBondContact O-N 2.83Å; A165-A167 VanDerWaalsContact C-N 3.31Å; A165-A167 PolarHBondContact O-N 3.41Å; A167-L169 PolarHBondContact O-N 2.93Å; A167-S170 WeakPolarHBondContact O-CB 3.45Å; A167-S170 PolarHBondContact O-N 3.43Å; A167-S170 PolarHBondContact O-OG 3.34Å; A167-M176 HydrophobicContact CB-CE 4.38Å; A167-M176 HydrophobicContact CB-SD 3.95Å; A167-M176 WeakPolarHBondContact O-CE 3.22Å; A167-I181 HydrophobicContact CB-CG2 4.48Å; A167-W184 HydrophobicContact CB-CB 4.3Å; A167-W184 HydrophobicContact CB-CD2 3.59Å; A167-W184 HydrophobicContact CB-CE3 3.43Å; A167-W184 VanDerWaalsContact CB-CE3 3.43Å; A167-W184 HydrophobicContact CB-CG 3.95Å; A167-W184 HydrophobicContact CB-CZ3 4Å
168I97.7Very high96.3Very high0 Ų046.2 Ų46.20%022%0.223CC..Hα-helixtrans-64.5-39.4-179.5-66.6172.6000112I164 A165 S170 T171 R174 M176 F213 W227 I229I164-I168 HydrophobicContact CG2-CD1 3.78Å; I164-I168 HydrophobicContact CG2-CG1 4.44Å; I164-I168 WeakPolarHBondContact O-CG1 3.46Å; I164-I168 PolarHBondContact O-N 3Å; A165-I168 PolarHBondContact O-N 2.85Å; I168-S170 PolarHBondContact O-N 2.96Å; I168-T171 PolarHBondContact O-N 2.91Å; I168-T171 PolarHBondContact O-OG1 3.05Å; I168-T171 VanDerWaalsContact O-OG1 3.09Å; I168-R174 VanDerWaalsContact CG2-C 3.48Å; I168-R174 WeakPolarHBondContact CG2-O 3.42Å; I168-M176 HydrophobicContact CG1-CB 4.2Å; I168-F213 HydrophobicContact CD1-CD1 3.97Å; I168-F213 HydrophobicContact CD1-CE1 4.18Å; I168-W227 HydrophobicContact CD1-CB 4.33Å; I168-I229 HydrophobicContact CB-CD1 4.17Å; I168-I229 HydrophobicContact CB-CG1 4.4Å; I168-I229 HydrophobicContact CD1-CG1 4.41Å; I168-I229 HydrophobicContact CG2-CD1 3.89Å; I168-I229 HydrophobicContact CG2-CG1 3.99Å
169L96.8Very high96.6Very high27 Ų2744.6 Ų44.614%0.14122%0.222CC..Hα-helixtrans-69.8-19.9178.4-70.4177.1000113.4A165 K166 A167 T171 R174 I229 L234 F237 L238 F242A165-L169 WeakPolarHBondContact O-CB 3.47Å; A165-L169 WeakPolarHBondContact O-CG 3.25Å; A165-L169 PolarHBondContact O-N 3.43Å; K166-L169 PolarHBondContact O-N 2.99Å; A167-L169 PolarHBondContact O-N 2.93Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.28Å; L169-R174 PolarHBondContact O-NH1 3.34Å; L169-I229 HydrophobicContact CD1-CD1 4.48Å; L169-I229 HydrophobicContact CD2-CD1 3.66Å; L169-I229 HydrophobicContact CG-CD1 3.73Å; L169-L234 HydrophobicContact CD2-CD1 3.89Å; L169-F237 HydrophobicContact CD1-CB 4.04Å; L169-F237 VanDerWaalsContact CD1-O 3.25Å; L169-F237 WeakPolarHBondContact CD1-O 3.47Å; L169-L238 HydrophobicContact CD1-CD2 4.41Å; L169-L238 HydrophobicContact CD2-CD2 3.73Å; L169-L238 HydrophobicContact CD2-CG 4Å; L169-F242 HydrophobicContact CD1-CE1 4.49Å
170S96.5Very high96.7Very high67 Ų6744.5 Ų44.547%0.46922%0.217SC..Hα-helixtrans-71.4-20.7176.375.80000113.3K166 A167 I168 W184K166-S170 PolarHBondContact O-N 3.13Å; K166-S170 VanDerWaalsContact O-N 3.07Å; A167-S170 WeakPolarHBondContact O-CB 3.45Å; A167-S170 PolarHBondContact O-N 3.43Å; A167-S170 PolarHBondContact O-OG 3.34Å; I168-S170 PolarHBondContact O-N 2.96Å; S170-W184 PolarHBondContact OG-NE1 3.35Å
171T95.8Very high96.7Very high36 Ų3641.4 Ų41.422%0.22120%0.204CC..SBendtrans-89145.2177.367.40000110.9I168 L169 E173 R174 R175 M176I168-T171 PolarHBondContact O-N 2.91Å; I168-T171 PolarHBondContact O-OG1 3.05Å; I168-T171 VanDerWaalsContact O-OG1 3.09Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.28Å; T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact O-N 3.45Å; T171-R174 PolarHBondContact O-N 3.23Å; T171-R174 PolarHBondContact O-NH1 3.31Å; T171-R174 PolarHBondContact OG1-N 3.28Å; T171-R175 PolarHBondContact OG1-N 2.91Å; T171-R175 PolarHBondContact OG1-O 3.28Å; T171-M176 HydrophobicContact CG2-CE 3.35Å
172Q95.1Very high96.8Very high192 Ų19242.6 Ų42.690%0.89721%0.209SC*.THydrogen-bonded Turntrans-63.6-35.2176.4-173.6174.85.100111.8R174Q172-R174 PolarHBondContact O-N 3.27Å
173E94.5Very high96.8Very high119 Ų11948.1 Ų48.156%0.55624%0.235SC*.THydrogen-bonded Turntrans-77.3-2.3-179.7-57.3-168.7158.400114.1T171 R175T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 PolarHBondContact O-N 3.45Å; E173-R175 HydrophobicContact CB-CG 3.84Å; E173-R175 PolarHBondContact O-N 3.33Å; E173-R175 VanDerWaalsContact O-N 3.11Å; E173-R175 IonicContact OE1-NH2 3.75Å; E173-R175 IonicContact OE2-CZ 3.82Å; E173-R175 IonicContact OE2-NE 3.36Å; E173-R175 PolarHBondContact OE2-NE 3.02Å; E173-R175 IonicContact OE2-NH2 3.51Å; E173-R175 PolarHBondContact OE2-NH2 3.05Å
174R95.3Very high96.8Very high101 Ų10150.6 Ų50.638%0.38124%0.244SC..SBendtrans52.931.5-177-54.7-60.5-175.2-129.57.1113.7I168 L169 T171 Q172I168-R174 VanDerWaalsContact CG2-C 3.48Å; I168-R174 WeakPolarHBondContact CG2-O 3.42Å; L169-R174 PolarHBondContact O-NH1 3.34Å; T171-R174 PolarHBondContact O-N 3.23Å; T171-R174 PolarHBondContact O-NH1 3.31Å; T171-R174 PolarHBondContact OG1-N 3.28Å; Q172-R174 PolarHBondContact O-N 3.27Å
175R96.2Very high96.7Very high75 Ų7550.6 Ų50.628%0.28324%0.244SC..EExtended strand (participates in β ladder)trans-147.2152.1176.768.8-173.3180-174.9-5110.7T171 E173 Y226 W227T171-R175 PolarHBondContact OG1-N 2.91Å; T171-R175 PolarHBondContact OG1-O 3.28Å; E173-R175 HydrophobicContact CB-CG 3.84Å; E173-R175 PolarHBondContact O-N 3.33Å; E173-R175 VanDerWaalsContact O-N 3.11Å; E173-R175 IonicContact OE1-NH2 3.75Å; E173-R175 IonicContact OE2-CZ 3.82Å; E173-R175 IonicContact OE2-NE 3.36Å; E173-R175 PolarHBondContact OE2-NE 3.02Å; E173-R175 IonicContact OE2-NH2 3.51Å; E173-R175 PolarHBondContact OE2-NH2 3.05Å; R175-Y226 HydrophobicContact CG-CD1 4.01Å; R175-Y226 HydrophobicContact CG-CG 4.17Å; R175-W227 CarbonylContact C-O 3.59Å; R175-W227 WeakPolarHBondContact CA-O 3.44Å
176M97.2Very high96.6Very high15 Ų1553 Ų537%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-151.1147.5-178.8-170.3175.9-75.800110.8A167 I168 T171 D180 I181 W184 W227A167-M176 HydrophobicContact CB-CE 4.38Å; A167-M176 HydrophobicContact CB-SD 3.95Å; A167-M176 WeakPolarHBondContact O-CE 3.22Å; I168-M176 HydrophobicContact CG1-CB 4.2Å; T171-M176 HydrophobicContact CG2-CE 3.35Å; M176-D180 HydrophobicContact CG-CB 3.57Å; M176-D180 VanDerWaalsContact SD-C 3.53Å; M176-D180 HydrophobicContact SD-CB 3.97Å; M176-I181 HydrophobicContact CB-CG1 4.09Å; M176-I181 HydrophobicContact CG-CG1 3.82Å; M176-I181 HydrophobicContact SD-CB 4.3Å; M176-I181 HydrophobicContact SD-CG1 3.67Å; M176-I181 PolarHBondContact SD-N 3.28Å; M176-I181 VanDerWaalsContact SD-N 3.43Å; M176-W184 HydrophobicContact CE-CG 4.45Å; M176-W184 HydrophobicContact SD-CB 4.27Å; M176-W227 PolarHBondContact N-O 2.97Å; M176-W227 PolarHBondContact O-N 3.5Å
177I97.1Very high96.5Very high11 Ų1157 Ų576%0.05628%0.279CS..EExtended strand (participates in β ladder)trans-82.1151.6175.8-54.7168000109.1S179 D180 I181 A219 Y226I177-S179 PolarHBondContact O-N 3.04Å; I177-D180 WeakPolarHBondContact O-CB 3.5Å; I177-D180 PolarHBondContact O-N 3.08Å; I177-I181 PolarHBondContact O-N 2.92Å; I177-A219 HydrophobicContact CD1-CB 3.45Å; I177-A219 VanDerWaalsContact CD1-CB 3.45Å; I177-A219 HydrophobicContact CG1-CB 3.84Å; I177-Y226 HydrophobicContact CD1-CD1 4.39Å; I177-Y226 HydrophobicContact CD1-CE1 3.81Å; I177-Y226 HydrophobicContact CG1-CD1 3.59Å; I177-Y226 HydrophobicContact CG1-CE1 3.49Å; I177-Y226 VanDerWaalsContact CG1-CE1 3.49Å
178L97.6Very high96.3Very high44 Ų4465.4 Ų65.423%0.2331%0.31CS..Hα-helixtrans-51-40.7178.718062000113.9D180 I181 Y182 I203 R204 L207L178-D180 PolarHBondContact O-N 2.82Å; L178-I181 PolarHBondContact O-N 3.42Å; L178-Y182 HydrophobicContact CD1-CD1 4.49Å; L178-Y182 HydrophobicContact CD1-CE1 3.66Å; L178-Y182 HydrophobicContact CD1-CE2 4.24Å; L178-Y182 WeakPolarHBondContact CD1-OH 3.34Å; L178-Y182 HydrophobicContact CD2-CE2 4.38Å; L178-Y182 WeakPolarHBondContact CD2-OH 3.32Å; L178-Y182 HydrophobicContact CG-CE1 4.18Å; L178-Y182 HydrophobicContact CG-CE2 3.82Å; L178-Y182 WeakPolarHBondContact CG-OH 3.19Å; L178-Y182 WeakPolarHBondContact O-CD2 3.36Å; L178-Y182 PolarHBondContact O-N 3.29Å; L178-I203 HydrophobicContact CD1-CG2 4.12Å; L178-R204 HydrophobicContact CD1-CG 4.11Å; L178-R204 HydrophobicContact CD2-CG 3.9Å; L178-L207 HydrophobicContact CD1-CD1 3.55Å
179S96.7Very high96.2Very high46 Ų4667.1 Ų67.132%0.32232%0.317SS..Hα-helixtrans-60-35.8176.751.10000112.8I177 Q183I177-S179 PolarHBondContact O-N 3.04Å; S179-Q183 WeakPolarHBondContact O-CG 3.22Å; S179-Q183 PolarHBondContact O-N 2.89Å; S179-Q183 PolarHBondContact O-NE2 2.9Å; S179-Q183 VanDerWaalsContact O-NE2 3.07Å
180D97.1Very high95.9Very high61 Ų6168.8 Ų68.833%0.32633%0.33SS..Hα-helixtrans-84.1-32.3-173.6-52.8-13.4000109.4M176 I177 L178 Y182 Q183 W184M176-D180 HydrophobicContact CG-CB 3.57Å; M176-D180 VanDerWaalsContact SD-C 3.53Å; M176-D180 HydrophobicContact SD-CB 3.97Å; I177-D180 WeakPolarHBondContact O-CB 3.5Å; I177-D180 PolarHBondContact O-N 3.08Å; L178-D180 PolarHBondContact O-N 2.82Å; D180-Y182 VanDerWaalsContact C-N 3.27Å; D180-Y182 PolarHBondContact O-N 3.31Å; D180-Q183 PolarHBondContact O-N 3.28Å; D180-W184 VanDerWaalsContact O-CB 3.25Å; D180-W184 WeakPolarHBondContact O-CB 3.4Å; D180-W184 PolarHBondContact O-N 3.35Å
181I97.9Very high95.7Very high0 Ų067 Ų670%031%0.313CS..Hα-helixtrans-58.1-43169.4-63.3171.3000110I164 A167 M176 I177 L178 I185 I203 L207 W227I164-I181 HydrophobicContact CG1-CG2 4.37Å; I164-I181 HydrophobicContact CG2-CD1 4.47Å; A167-I181 HydrophobicContact CB-CG2 4.48Å; M176-I181 HydrophobicContact CB-CG1 4.09Å; M176-I181 HydrophobicContact CG-CG1 3.82Å; M176-I181 HydrophobicContact SD-CB 4.3Å; M176-I181 HydrophobicContact SD-CG1 3.67Å; M176-I181 PolarHBondContact SD-N 3.28Å; M176-I181 VanDerWaalsContact SD-N 3.43Å; I177-I181 PolarHBondContact O-N 2.92Å; L178-I181 PolarHBondContact O-N 3.42Å; I181-I185 HydrophobicContact CG2-CD1 3.88Å; I181-I185 VanDerWaalsContact O-CG1 3.28Å; I181-I185 WeakPolarHBondContact O-CG1 3.36Å; I181-I185 PolarHBondContact O-N 3.5Å; I181-I185 VanDerWaalsContact O-N 3.08Å; I181-I203 HydrophobicContact CG2-CG2 4Å; I181-L207 HydrophobicContact CD1-CD1 4.18Å; I181-L207 HydrophobicContact CD1-CD2 4.28Å; I181-W227 HydrophobicContact CD1-CB 4.37Å
182Y97.3Very high95.6Very high33 Ų3365.6 Ų65.613%0.12930%0.304CS..Hα-helixtrans-61.5-48176.6-59-33.5000112.2L178 D180 I185 Q186 W199 R200 I203 R204L178-Y182 HydrophobicContact CD1-CD1 4.49Å; L178-Y182 HydrophobicContact CD1-CE1 3.66Å; L178-Y182 HydrophobicContact CD1-CE2 4.24Å; L178-Y182 WeakPolarHBondContact CD1-OH 3.34Å; L178-Y182 HydrophobicContact CD2-CE2 4.38Å; L178-Y182 WeakPolarHBondContact CD2-OH 3.32Å; L178-Y182 HydrophobicContact CG-CE1 4.18Å; L178-Y182 HydrophobicContact CG-CE2 3.82Å; L178-Y182 WeakPolarHBondContact CG-OH 3.19Å; L178-Y182 WeakPolarHBondContact O-CD2 3.36Å; L178-Y182 PolarHBondContact O-N 3.29Å; D180-Y182 VanDerWaalsContact C-N 3.27Å; D180-Y182 PolarHBondContact O-N 3.31Å; Y182-I185 PolarHBondContact O-N 3.42Å; Y182-Q186 WeakPolarHBondContact O-CG 3.35Å; Y182-Q186 PolarHBondContact O-N 3Å; Y182-Q186 VanDerWaalsContact O-N 3.08Å; Y182-W199 HydrophobicContact CD1-CH2 4.06Å; Y182-W199 AromaticContact CD1-CZ3 3.85Å; Y182-W199 HydrophobicContact CD1-CZ3 3.85Å; Y182-W199 HydrophobicContact CG-CH2 4.33Å; Y182-R200 HydrophobicContact CD1-CB 4.27Å; Y182-R200 HydrophobicContact CD1-CG 4.02Å; Y182-R200 HydrophobicContact CE1-CB 3.73Å; Y182-R200 HydrophobicContact CE1-CG 4Å; Y182-R200 HydrophobicContact CG-CG 4.38Å; Y182-I203 HydrophobicContact CD1-CG2 4.33Å; Y182-I203 HydrophobicContact CE1-CB 4.08Å; Y182-I203 HydrophobicContact CE1-CG2 3.9Å; Y182-R204 WeakPolarHBondContact OH-CD 3.14Å; Y182-R204 WeakPolarHBondContact OH-CG 3.48Å
183Q96.6Very high95.4Very high116 Ų11659.7 Ų59.754%0.54228%0.284SS..Hα-helixtrans-64.8-42.8-179.1-72.3167.965.200111.4S179 D180 I185 Q186 L187S179-Q183 WeakPolarHBondContact O-CG 3.22Å; S179-Q183 PolarHBondContact O-N 2.89Å; S179-Q183 PolarHBondContact O-NE2 2.9Å; S179-Q183 VanDerWaalsContact O-NE2 3.07Å; D180-Q183 PolarHBondContact O-N 3.28Å; Q183-I185 PolarHBondContact O-N 2.99Å; Q183-Q186 PolarHBondContact O-N 2.86Å; Q183-L187 VanDerWaalsContact O-CB 3.3Å; Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 PolarHBondContact O-N 3.05Å
184W97.4Very high95.1Very high52 Ų5257.8 Ų57.820%0.19728%0.28CS..Hα-helixtrans-60.4-44.9178.4-173.196.3000111.7K166 A167 S170 M176 D180 L187 R188 Y189K166-W184 HydrophobicContact CB-CH2 3.42Å; K166-W184 VanDerWaalsContact CB-CH2 3.42Å; K166-W184 HydrophobicContact CB-CZ2 4.1Å; K166-W184 HydrophobicContact CB-CZ3 4.09Å; A167-W184 HydrophobicContact CB-CB 4.3Å; A167-W184 HydrophobicContact CB-CD2 3.59Å; A167-W184 HydrophobicContact CB-CE3 3.43Å; A167-W184 VanDerWaalsContact CB-CE3 3.43Å; A167-W184 HydrophobicContact CB-CG 3.95Å; A167-W184 HydrophobicContact CB-CZ3 4Å; S170-W184 PolarHBondContact OG-NE1 3.35Å; M176-W184 HydrophobicContact CE-CG 4.45Å; M176-W184 HydrophobicContact SD-CB 4.27Å; D180-W184 VanDerWaalsContact O-CB 3.25Å; D180-W184 WeakPolarHBondContact O-CB 3.4Å; D180-W184 PolarHBondContact O-N 3.35Å; W184-L187 PolarHBondContact O-N 3Å; W184-R188 HydrophobicContact CH2-CG 4.32Å; W184-R188 WeakPolarHBondContact O-CB 3.47Å; W184-R188 PolarHBondContact O-N 3.44Å; W184-Y189 HydrophobicContact CH2-CE2 4.31Å; W184-Y189 AromaticContact CZ3-CE2 3.97Å; W184-Y189 HydrophobicContact CZ3-CE2 3.97Å
185I96.8Very high94.7Very high0 Ų060.5 Ų60.50%029%0.291CS..Hα-helixtrans-64.4-45.1177.9-68.7172.2000110.8L163 I181 Y182 Q183 L187 R188 Y189 F192 W199 I203L163-I185 HydrophobicContact CB-CD1 4.15Å; L163-I185 HydrophobicContact CB-CG1 4.44Å; I181-I185 HydrophobicContact CG2-CD1 3.88Å; I181-I185 VanDerWaalsContact O-CG1 3.28Å; I181-I185 WeakPolarHBondContact O-CG1 3.36Å; I181-I185 PolarHBondContact O-N 3.5Å; I181-I185 VanDerWaalsContact O-N 3.08Å; Y182-I185 PolarHBondContact O-N 3.42Å; Q183-I185 PolarHBondContact O-N 2.99Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 3.43Å; I185-R188 PolarHBondContact O-N 2.94Å; I185-Y189 HydrophobicContact CG2-CD2 4.5Å; I185-Y189 WeakPolarHBondContact O-CA 3.38Å; I185-Y189 WeakPolarHBondContact O-CB 3.49Å; I185-Y189 PolarHBondContact O-N 3.31Å; I185-F192 HydrophobicContact CG2-CB 4.13Å; I185-F192 HydrophobicContact CG2-CD2 3.36Å; I185-F192 HydrophobicContact CG2-CE2 3.83Å; I185-F192 HydrophobicContact CG2-CG 3.79Å; I185-W199 HydrophobicContact CB-CZ3 4.37Å; I185-W199 HydrophobicContact CD1-CZ3 4.3Å; I185-W199 HydrophobicContact CG2-CZ3 4.21Å; I185-I203 HydrophobicContact CD1-CD1 3.54Å; I185-I203 HydrophobicContact CD1-CG1 4.14Å
186Q94.6Very high94.3Very high50 Ų5058.7 Ų58.723%0.23430%0.296CS..Hα-helixtrans-64.9-38.1179.6-72.9-178.7-45.400112.6Y182 Q183 W199Y182-Q186 WeakPolarHBondContact O-CG 3.35Å; Y182-Q186 PolarHBondContact O-N 3Å; Y182-Q186 VanDerWaalsContact O-N 3.08Å; Q183-Q186 PolarHBondContact O-N 2.86Å; Q186-W199 HydrophobicContact CG-CH2 3.89Å; Q186-W199 HydrophobicContact CG-CZ2 3.65Å
187L94.8Very high94.1Very high153 Ų15362.3 Ų62.380%0.80132%0.32SS*.Hα-helixtrans-69.4-39.8178.7-177.965.4000112Q183 W184 I185Q183-L187 VanDerWaalsContact O-CB 3.3Å; Q183-L187 WeakPolarHBondContact O-CB 3.43Å; Q183-L187 PolarHBondContact O-N 3.05Å; W184-L187 PolarHBondContact O-N 3Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 3.43Å
188R94.2Very high93.9Very high175 Ų17564.2 Ų64.266%0.6634%0.342SS*.Hα-helixtrans-85.3-30-176.4-166.661.3169.3-163.10.4113.4W184 I185W184-R188 HydrophobicContact CH2-CG 4.32Å; W184-R188 WeakPolarHBondContact O-CB 3.47Å; W184-R188 PolarHBondContact O-N 3.44Å; I185-R188 PolarHBondContact O-N 2.94Å
189Y94Very high93.8Very high37 Ų3762.7 Ų62.715%0.14533%0.334CS..  trans-131.286.6-176.7-55.3-70.7000109.4P156 F158 L163 W184 I185 Y191 F192P156-Y189 HydrophobicContact CB-CD1 3.78Å; P156-Y189 HydrophobicContact CB-CE1 3.86Å; P156-Y189 HydrophobicContact CB-CG 4.34Å; P156-Y189 HydrophobicContact CG-CD1 3.25Å; P156-Y189 HydrophobicContact CG-CD2 4.43Å; P156-Y189 HydrophobicContact CG-CE1 3.89Å; P156-Y189 HydrophobicContact CG-CG 3.56Å; F158-Y189 HydrophobicContact CD2-CE1 4.46Å; L163-Y189 HydrophobicContact CD2-CD2 3.68Å; L163-Y189 HydrophobicContact CD2-CE2 3.27Å; W184-Y189 HydrophobicContact CH2-CE2 4.31Å; W184-Y189 AromaticContact CZ3-CE2 3.97Å; W184-Y189 HydrophobicContact CZ3-CE2 3.97Å; I185-Y189 HydrophobicContact CG2-CD2 4.5Å; I185-Y189 WeakPolarHBondContact O-CA 3.38Å; I185-Y189 WeakPolarHBondContact O-CB 3.49Å; I185-Y189 PolarHBondContact O-N 3.31Å; Y189-Y191 PolarHBondContact O-N 3.38Å; Y189-F192 PolarHBondContact O-N 3.02Å
190P92Very high93.8Very high62 Ų6264.6 Ų64.640%0.40333%0.334SS..THydrogen-bonded Turntrans-53.9-25-178.1-28.436.3000114.2F192 S193P190-F192 PolarHBondContact O-N 3.15Å; P190-S193 VanDerWaalsContact O-CB 3.29Å; P190-S193 WeakPolarHBondContact O-CB 3.27Å; P190-S193 PolarHBondContact O-N 2.94Å
191Y92.6Very high93.8Very high30 Ų3065.4 Ų65.412%0.11834%0.338CS..Hα-helixtrans-43-38.6169.3172.4-91.5000114.1E153 K155 Y189 S193 T194 R195E153-Y191 WeakPolarHBondContact O-CD2 3.04Å; K155-Y191 HydrophobicContact CB-CD2 4.22Å; K155-Y191 HydrophobicContact CB-CE1 4.19Å; K155-Y191 HydrophobicContact CB-CE2 3.69Å; K155-Y191 HydrophobicContact CD-CE1 4.46Å; K155-Y191 HydrophobicContact CG-CD1 4.44Å; K155-Y191 HydrophobicContact CG-CE1 3.84Å; K155-Y191 HydrophobicContact CG-CE2 4.25Å; Y189-Y191 PolarHBondContact O-N 3.38Å; Y191-S193 VanDerWaalsContact C-N 3.31Å; Y191-S193 PolarHBondContact O-N 3.25Å; Y191-T194 PolarHBondContact O-OG1 3.4Å; Y191-R195 HydrophobicContact CD1-CG 4.45Å; Y191-R195 HydrophobicContact CE1-CG 4.03Å; Y191-R195 HydrophobicContact CE2-CG 4.47Å; Y191-R195 VanDerWaalsContact CE2-CZ 3.47Å; Y191-R195 VanDerWaalsContact CZ-CZ 3.43Å; Y191-R195 VanDerWaalsContact O-CG 3.24Å; Y191-R195 WeakPolarHBondContact O-CG 3.34Å; Y191-R195 PolarHBondContact OH-NE 3.05Å; Y191-R195 PolarHBondContact OH-NH1 3.13Å; Y191-R195 VanDerWaalsContact OH-NH1 3.09Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å
192F93.3Very high93.8Very high5 Ų567.1 Ų67.12%0.02235%0.35CS..Hα-helixtrans-80.9-8.7-178-67.4-76.2000114.2P156 Y160 L163 I185 Y189 P190 W199P156-F192 HydrophobicContact CG-CE2 4.06Å; Y160-F192 HydrophobicContact CE1-CE1 4.28Å; L163-F192 HydrophobicContact CD1-CE2 3.82Å; L163-F192 HydrophobicContact CD1-CZ 3.63Å; I185-F192 HydrophobicContact CG2-CB 4.13Å; I185-F192 HydrophobicContact CG2-CD2 3.36Å; I185-F192 HydrophobicContact CG2-CE2 3.83Å; I185-F192 HydrophobicContact CG2-CG 3.79Å; Y189-F192 PolarHBondContact O-N 3.02Å; P190-F192 PolarHBondContact O-N 3.15Å; F192-W199 HydrophobicContact CB-CD2 4.28Å; F192-W199 HydrophobicContact CB-CZ2 4.27Å; F192-W199 HydrophobicContact CD1-CB 4Å; F192-W199 AromaticContact CD1-CD2 3.99Å; F192-W199 HydrophobicContact CD1-CD2 3.99Å; F192-W199 HydrophobicContact CD1-CE3 4.41Å; F192-W199 AromaticContact CD1-CG 3.78Å; F192-W199 HydrophobicContact CD1-CG 3.78Å; F192-W199 HydrophobicContact CE1-CB 4.3Å; F192-W199 HydrophobicContact CG-CD2 4.45Å; F192-W199 PolarHBondContact O-NE1 2.96Å
193S90.5Very high93.8Very high68 Ų6865.6 Ų65.648%0.47634%0.344SS..Hα-helixtrans-75.8-32.9178.6-63.70000112.2P190 Y191P190-S193 VanDerWaalsContact O-CB 3.29Å; P190-S193 WeakPolarHBondContact O-CB 3.27Å; P190-S193 PolarHBondContact O-N 2.94Å; Y191-S193 VanDerWaalsContact C-N 3.31Å; Y191-S193 PolarHBondContact O-N 3.25Å
194T88.1Confident93.9Very high80 Ų8063.5 Ų63.549%0.49133%0.331SS..Hα-helixtrans-90.9-17.5-177.959.40000113.9Y191 G196Y191-T194 PolarHBondContact O-OG1 3.4Å; T194-G196 VanDerWaalsContact C-N 3.29Å; T194-G196 PolarHBondContact O-N 3.17Å
195R86.6Confident93.8Very high157 Ų15765.5 Ų65.559%0.59234%0.343SS*.SBendtrans-80.78.6-172.2-67.5-70.6-174.5133.4-5.7116.1Y191Y191-R195 HydrophobicContact CD1-CG 4.45Å; Y191-R195 HydrophobicContact CE1-CG 4.03Å; Y191-R195 HydrophobicContact CE2-CG 4.47Å; Y191-R195 VanDerWaalsContact CE2-CZ 3.47Å; Y191-R195 VanDerWaalsContact CZ-CZ 3.43Å; Y191-R195 VanDerWaalsContact O-CG 3.24Å; Y191-R195 WeakPolarHBondContact O-CG 3.34Å; Y191-R195 PolarHBondContact OH-NE 3.05Å; Y191-R195 PolarHBondContact OH-NH1 3.13Å; Y191-R195 VanDerWaalsContact OH-NH1 3.09Å; Y191-R195 PolarHBondContact OH-NH2 3.46Å
196G88.4Confident93.9Very high38 Ų3866.5 Ų66.539%0.39235%0.348SS..  trans68.5-170.9-177.100000113.8T194 G198 W199T194-G196 VanDerWaalsContact C-N 3.29Å; T194-G196 PolarHBondContact O-N 3.17Å; G196-G198 PolarHBondContact O-N 2.97Å; G196-W199 PolarHBondContact O-NE1 2.86Å
197P91.7Very high94Very high91 Ų9164.2 Ų64.259%0.59134%0.337SS*.SBendtrans-81.3-9.4-172.231.4-35.4000115W199 R200P197-W199 VanDerWaalsContact C-N 3.3Å; P197-W199 PolarHBondContact O-N 2.95Å; P197-R200 VanDerWaalsContact O-CB 3.23Å; P197-R200 WeakPolarHBondContact O-CB 3.25Å; P197-R200 PolarHBondContact O-N 3.03Å
198G94Very high94.1Very high50 Ų5060.2 Ų60.252%0.51532%0.322SS..Hα-helixtrans-57.5-37.1-170.800000114.4G196 R200 N201G196-G198 PolarHBondContact O-N 2.97Å; G198-R200 PolarHBondContact O-N 3.37Å; G198-N201 WeakPolarHBondContact O-CB 3.2Å; G198-N201 PolarHBondContact O-N 2.76Å; G198-N201 VanDerWaalsContact O-N 3.13Å
199W95.5Very high94.1Very high13 Ų1355.3 Ų55.35%0.04931%0.308CS..Hα-helixtrans-64.3-26.2176.765.7-95.2000113Y182 I185 Q186 F192 G196 P197 N201 S202 I203Y182-W199 HydrophobicContact CD1-CH2 4.06Å; Y182-W199 AromaticContact CD1-CZ3 3.85Å; Y182-W199 HydrophobicContact CD1-CZ3 3.85Å; Y182-W199 HydrophobicContact CG-CH2 4.33Å; I185-W199 HydrophobicContact CB-CZ3 4.37Å; I185-W199 HydrophobicContact CD1-CZ3 4.3Å; I185-W199 HydrophobicContact CG2-CZ3 4.21Å; Q186-W199 HydrophobicContact CG-CH2 3.89Å; Q186-W199 HydrophobicContact CG-CZ2 3.65Å; F192-W199 HydrophobicContact CB-CD2 4.28Å; F192-W199 HydrophobicContact CB-CZ2 4.27Å; F192-W199 HydrophobicContact CD1-CB 4Å; F192-W199 AromaticContact CD1-CD2 3.99Å; F192-W199 HydrophobicContact CD1-CD2 3.99Å; F192-W199 HydrophobicContact CD1-CE3 4.41Å; F192-W199 AromaticContact CD1-CG 3.78Å; F192-W199 HydrophobicContact CD1-CG 3.78Å; F192-W199 HydrophobicContact CE1-CB 4.3Å; F192-W199 HydrophobicContact CG-CD2 4.45Å; F192-W199 PolarHBondContact O-NE1 2.96Å; G196-W199 PolarHBondContact O-NE1 2.86Å; P197-W199 VanDerWaalsContact C-N 3.3Å; P197-W199 PolarHBondContact O-N 2.95Å; W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.16Å; W199-S202 WeakPolarHBondContact O-CB 3.5Å; W199-S202 PolarHBondContact O-N 2.88Å; W199-S202 VanDerWaalsContact O-N 3.17Å; W199-I203 HydrophobicContact CE3-CG1 3.81Å; W199-I203 HydrophobicContact CZ3-CG1 4.03Å; W199-I203 WeakPolarHBondContact O-CG1 3.25Å; W199-I203 PolarHBondContact O-N 2.88Å
200R97Very high94.1Very high86 Ų8653.6 Ų53.633%0.32530%0.302SS..Hα-helixtrans-65.4-33.5176.9-60.4178.9179.2172.2-2.6110.9Y182 P197 G198 I203 R204Y182-R200 HydrophobicContact CD1-CB 4.27Å; Y182-R200 HydrophobicContact CD1-CG 4.02Å; Y182-R200 HydrophobicContact CE1-CB 3.73Å; Y182-R200 HydrophobicContact CE1-CG 4Å; Y182-R200 HydrophobicContact CG-CG 4.38Å; P197-R200 VanDerWaalsContact O-CB 3.23Å; P197-R200 WeakPolarHBondContact O-CB 3.25Å; P197-R200 PolarHBondContact O-N 3.03Å; G198-R200 PolarHBondContact O-N 3.37Å; R200-I203 PolarHBondContact O-N 2.89Å; R200-R204 WeakPolarHBondContact O-CG 3.23Å; R200-R204 PolarHBondContact O-N 2.85Å
201N96.9Very high94.2Very high77 Ų7753.9 Ų53.941%0.41230%0.3SS..Hα-helixtrans-65.1-45.2172.9-170.520000110.9G198 W199 I203 R204 H205 D450G198-N201 WeakPolarHBondContact O-CB 3.2Å; G198-N201 PolarHBondContact O-N 2.76Å; G198-N201 VanDerWaalsContact O-N 3.13Å; W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.16Å; N201-I203 PolarHBondContact O-N 2.87Å; N201-R204 PolarHBondContact O-N 3.39Å; N201-R204 VanDerWaalsContact O-N 3.13Å; N201-R204 PolarHBondContact OD1-NH2 3.45Å; N201-H205 WeakPolarHBondContact O-CB 3.21Å; N201-H205 PolarHBondContact O-N 2.82Å; N201-D450 PolarHBondContact OD1-OD1 3.37Å
202S97Very high94.4Very high37 Ų3752.5 Ų52.526%0.25930%0.295SS..Hα-helixtrans-57.7-37.1174.5-49.40000112.3W199 N206W199-S202 WeakPolarHBondContact O-CB 3.5Å; W199-S202 PolarHBondContact O-N 2.88Å; W199-S202 VanDerWaalsContact O-N 3.17Å; S202-N206 WeakPolarHBondContact O-CB 3.48Å; S202-N206 PolarHBondContact O-N 3.01Å; S202-N206 PolarHBondContact O-ND2 2.9Å
203I97.8Very high94.5Very high0 Ų052.7 Ų52.70%030%0.295CS..Hα-helixtrans-64.2-50.5173.6-65.7-64.3000111.5Y160 I164 L178 I181 Y182 I185 W199 R200 N201 H205 N206 L207Y160-I203 HydrophobicContact CD1-CD1 3.72Å; Y160-I203 HydrophobicContact CD1-CG1 4.48Å; Y160-I203 HydrophobicContact CE1-CD1 4.45Å; Y160-I203 HydrophobicContact CG-CD1 4.47Å; I164-I203 HydrophobicContact CD1-CD1 4.06Å; I164-I203 HydrophobicContact CD1-CG2 4.26Å; I164-I203 HydrophobicContact CG1-CD1 3.86Å; I164-I203 HydrophobicContact CG1-CG2 4.3Å; L178-I203 HydrophobicContact CD1-CG2 4.12Å; I181-I203 HydrophobicContact CG2-CG2 4Å; Y182-I203 HydrophobicContact CD1-CG2 4.33Å; Y182-I203 HydrophobicContact CE1-CB 4.08Å; Y182-I203 HydrophobicContact CE1-CG2 3.9Å; I185-I203 HydrophobicContact CD1-CD1 3.54Å; I185-I203 HydrophobicContact CD1-CG1 4.14Å; W199-I203 HydrophobicContact CE3-CG1 3.81Å; W199-I203 HydrophobicContact CZ3-CG1 4.03Å; W199-I203 WeakPolarHBondContact O-CG1 3.25Å; W199-I203 PolarHBondContact O-N 2.88Å; R200-I203 PolarHBondContact O-N 2.89Å; N201-I203 PolarHBondContact O-N 2.87Å; I203-H205 VanDerWaalsContact C-N 3.29Å; I203-H205 PolarHBondContact O-N 3.13Å; I203-N206 PolarHBondContact O-N 3.38Å; I203-N206 VanDerWaalsContact O-N 3.16Å; I203-L207 HydrophobicContact CG2-CD1 4.1Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 2.84Å
204R98.2Very high94.8Very high72 Ų7252.2 Ų52.227%0.27229%0.287SS..Hα-helixtrans-58.1-44178.1-68.1-168.6-55.1-89.66112L178 Y182 R200 N201 L207 S208 D450L178-R204 HydrophobicContact CD1-CG 4.11Å; L178-R204 HydrophobicContact CD2-CG 3.9Å; Y182-R204 WeakPolarHBondContact OH-CD 3.14Å; Y182-R204 WeakPolarHBondContact OH-CG 3.48Å; R200-R204 WeakPolarHBondContact O-CG 3.23Å; R200-R204 PolarHBondContact O-N 2.85Å; N201-R204 PolarHBondContact O-N 3.39Å; N201-R204 VanDerWaalsContact O-N 3.13Å; N201-R204 PolarHBondContact OD1-NH2 3.45Å; R204-L207 PolarHBondContact O-N 3.24Å; R204-S208 PolarHBondContact O-N 2.93Å; R204-S208 PolarHBondContact O-OG 3.38Å; R204-D450 IonicContact CZ-OD1 2.73Å; R204-D450 IonicContact CZ-OD2 2.8Å; R204-D450 IonicContact NE-OD1 3.87Å; R204-D450 IonicContact NE-OD2 3.79Å; R204-D450 IonicContact NH2-OD1 2.94Å; R204-D450 PolarHBondContact NH2-OD1 3.36Å; R204-D450 IonicContact NH2-OD2 2.64Å; R204-D450 PolarHBondContact NH2-OD2 3.09Å
205H96.8Very high95.3Very high95 Ų9553.9 Ų53.944%0.4429%0.287SS..Hα-helixtrans-60.8-44.4176.116972.1000112N201 I203 L207 S208 L209N201-H205 WeakPolarHBondContact O-CB 3.21Å; N201-H205 PolarHBondContact O-N 2.82Å; I203-H205 VanDerWaalsContact C-N 3.29Å; I203-H205 PolarHBondContact O-N 3.13Å; H205-L207 VanDerWaalsContact C-N 3.34Å; H205-L207 PolarHBondContact O-N 3.44Å; H205-S208 PolarHBondContact O-N 2.95Å; H205-S208 PolarHBondContact O-OG 3.36Å; H205-S208 VanDerWaalsContact O-OG 3.08Å; H205-L209 WeakPolarHBondContact CE1-CD1 3.42Å; H205-L209 WeakPolarHBondContact NE2-CD1 3.43Å; H205-L209 WeakPolarHBondContact O-CB 3.21Å; H205-L209 PolarHBondContact O-N 2.92Å
206N97.4Very high95.6Very high20 Ų2049.5 Ų49.511%0.10728%0.278CS..Hα-helixtrans-67.7-33.6179.7-86.6-86.8000113.1I164 S202 I203 S208 N210I164-N206 HydrophobicContact CD1-CB 3.79Å; S202-N206 WeakPolarHBondContact O-CB 3.48Å; S202-N206 PolarHBondContact O-N 3.01Å; S202-N206 PolarHBondContact O-ND2 2.9Å; I203-N206 PolarHBondContact O-N 3.38Å; I203-N206 VanDerWaalsContact O-N 3.16Å; N206-S208 VanDerWaalsContact C-N 3.31Å; N206-N210 PolarHBondContact O-N 3.39Å; N206-N210 PolarHBondContact O-ND2 2.9Å; N206-N210 PolarHBondContact OD1-ND2 3.41Å
207L97.6Very high95.9Very high3 Ų349.4 Ų49.42%0.01628%0.277CS..Hα-helixtrans-65.3-33.4175.3-73.5167.9000112.4I164 L178 I181 I203 R204 H205 F213 W227I164-L207 HydrophobicContact CD1-CD2 4.23Å; I164-L207 HydrophobicContact CD1-CG 4.1Å; I164-L207 HydrophobicContact CG2-CD2 3.65Å; L178-L207 HydrophobicContact CD1-CD1 3.55Å; I181-L207 HydrophobicContact CD1-CD1 4.18Å; I181-L207 HydrophobicContact CD1-CD2 4.28Å; I203-L207 HydrophobicContact CG2-CD1 4.1Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 2.84Å; R204-L207 PolarHBondContact O-N 3.24Å; H205-L207 VanDerWaalsContact C-N 3.34Å; H205-L207 PolarHBondContact O-N 3.44Å; L207-F213 HydrophobicContact CD2-CB 4.09Å; L207-F213 HydrophobicContact CD2-CD2 4.26Å; L207-F213 HydrophobicContact CD2-CG 4.07Å; L207-W227 HydrophobicContact CB-CD2 4.17Å; L207-W227 HydrophobicContact CB-CE3 4.09Å; L207-W227 HydrophobicContact CB-CH2 3.87Å; L207-W227 HydrophobicContact CB-CZ2 3.97Å; L207-W227 HydrophobicContact CB-CZ3 3.94Å; L207-W227 HydrophobicContact CD1-CD2 4.2Å; L207-W227 HydrophobicContact CD1-CG 4.25Å; L207-W227 HydrophobicContact CD2-CB 4.11Å; L207-W227 HydrophobicContact CD2-CD2 3.83Å; L207-W227 HydrophobicContact CD2-CE3 3.95Å; L207-W227 HydrophobicContact CD2-CG 3.92Å; L207-W227 HydrophobicContact CG-CD2 4.3Å; L207-W227 WeakPolarHBondContact O-CZ3 3.38Å
208S96Very high96.1Very high68 Ų6853.1 Ų53.148%0.47628%0.28SS..Hα-helixtrans-90.7-26.1179.159.10000114.1R204 H205 N206R204-S208 PolarHBondContact O-N 2.93Å; R204-S208 PolarHBondContact O-OG 3.38Å; H205-S208 PolarHBondContact O-N 2.95Å; H205-S208 PolarHBondContact O-OG 3.36Å; H205-S208 VanDerWaalsContact O-OG 3.08Å; N206-S208 VanDerWaalsContact C-N 3.31Å
209L94.3Very high96Very high72 Ų7251 Ų5138%0.37726%0.257SS..Hα-helixtrans-79-37.8-177.9-179.1147.4000113.2H205H205-L209 WeakPolarHBondContact CE1-CD1 3.42Å; H205-L209 WeakPolarHBondContact NE2-CD1 3.43Å; H205-L209 WeakPolarHBondContact O-CB 3.21Å; H205-L209 PolarHBondContact O-N 2.92Å
210N95.4Very high95.8Very high2 Ų254.8 Ų54.81%0.01129%0.291CS..  trans-100.8120.4-172.5-57.9-80.1000111I161 N206 C212 F213 R244 Q248I161-N210 WeakPolarHBondContact CD1-OD1 3.2Å; N206-N210 PolarHBondContact O-N 3.39Å; N206-N210 PolarHBondContact O-ND2 2.9Å; N206-N210 PolarHBondContact OD1-ND2 3.41Å; N210-C212 VanDerWaalsContact CB-SG 3.58Å; N210-C212 PolarHBondContact O-N 3.33Å; N210-F213 HydrophobicContact CB-CD2 4.26Å; N210-F213 PolarHBondContact O-N 3.45Å; N210-R244 VanDerWaalsContact OD1-CD 3.25Å; N210-R244 WeakPolarHBondContact OD1-CD 3.05Å; N210-R244 VanDerWaalsContact OD1-CG 3.29Å; N210-R244 WeakPolarHBondContact OD1-CG 3.46Å; N210-Q248 PolarHBondContact OD1-NE2 2.64Å
211D93.7Very high95.4Very high67 Ų6754.6 Ų54.636%0.35830%0.297SS..THydrogen-bonded Turntrans-64.6-11.8179.6-55.7-39.3000113.7F213 V251D211-F213 PolarHBondContact O-N 3Å; D211-V251 HydrophobicContact CB-CB 4.06Å; D211-V251 HydrophobicContact CB-CG1 3.59Å; D211-V251 HydrophobicContact CB-CG2 4.46Å
212C95.4Very high95Very high1 Ų152.5 Ų52.51%0.00729%0.293CS..THydrogen-bonded Turntrans-66.7-17.1171.765.60000113N210 I229 H230 N233 F237 A247 V251N210-C212 VanDerWaalsContact CB-SG 3.58Å; N210-C212 PolarHBondContact O-N 3.33Å; C212-I229 CarbonylContact O-C 3.59Å; C212-I229 WeakPolarHBondContact O-CA 3.18Å; C212-H230 PolarHBondContact O-N 2.85Å; C212-N233 WeakPolarHBondContact CA-OD1 3.42Å; C212-N233 HydrophobicContact CB-CB 4.47Å; C212-N233 VanDerWaalsContact CB-OD1 3.24Å; C212-N233 WeakPolarHBondContact CB-OD1 3.29Å; C212-F237 HydrophobicContact CB-CE2 4.24Å; C212-F237 HydrophobicContact CB-CZ 3.97Å; C212-A247 HydrophobicContact CB-CB 4.14Å; C212-V251 HydrophobicContact CB-CG2 4.5Å
213F97.2Very high94.6Very high9 Ų958.7 Ų58.74%0.03932%0.316CS..EExtended strand (participates in β ladder)trans-108122.3174-58.6-56.1000110.7I161 I164 I168 L207 N210 D211 W227 G228 I229 F237I161-F213 HydrophobicContact CB-CE2 4.43Å; I161-F213 HydrophobicContact CG1-CE2 4.38Å; I161-F213 HydrophobicContact CG2-CE2 4.12Å; I161-F213 HydrophobicContact CG2-CZ 3.97Å; I164-F213 HydrophobicContact CB-CE1 4.14Å; I164-F213 HydrophobicContact CB-CE2 4.11Å; I164-F213 HydrophobicContact CB-CZ 3.68Å; I164-F213 HydrophobicContact CD1-CE2 4.14Å; I164-F213 HydrophobicContact CG2-CD1 3.89Å; I164-F213 HydrophobicContact CG2-CD2 4.29Å; I164-F213 HydrophobicContact CG2-CE1 3.46Å; I164-F213 VanDerWaalsContact CG2-CE1 3.46Å; I164-F213 HydrophobicContact CG2-CE2 3.89Å; I164-F213 HydrophobicContact CG2-CG 4.29Å; I164-F213 HydrophobicContact CG2-CZ 3.47Å; I164-F213 VanDerWaalsContact CG2-CZ 3.47Å; I168-F213 HydrophobicContact CD1-CD1 3.97Å; I168-F213 HydrophobicContact CD1-CE1 4.18Å; L207-F213 HydrophobicContact CD2-CB 4.09Å; L207-F213 HydrophobicContact CD2-CD2 4.26Å; L207-F213 HydrophobicContact CD2-CG 4.07Å; N210-F213 HydrophobicContact CB-CD2 4.26Å; N210-F213 PolarHBondContact O-N 3.45Å; D211-F213 PolarHBondContact O-N 3Å; F213-W227 HydrophobicContact CB-CE3 4.29Å; F213-G228 CarbonylContact C-O 3.51Å; F213-G228 WeakPolarHBondContact CA-O 3.17Å; F213-I229 HydrophobicContact CD1-CG1 4.35Å; F213-I229 HydrophobicContact CE1-CG1 4.21Å; F213-F237 HydrophobicContact CE1-CE2 4.08Å; F213-F237 HydrophobicContact CZ-CE2 4.27Å
214I96.6Very high94.4Very high58 Ų5860.3 Ų60.330%0.29733%0.332SS..EExtended strand (participates in β ladder)trans-117.3149.7-17657.1168.8000110.9V216 W227 G228 H230I214-V216 HydrophobicContact CD1-CG2 4.32Å; I214-V216 HydrophobicContact CG1-CG2 4.06Å; I214-W227 WeakPolarHBondContact O-CA 3.2Å; I214-G228 PolarHBondContact N-O 3.2Å; I214-G228 PolarHBondContact O-N 3.36Å; I214-H230 HydrophobicContact CG2-CB 4.15Å
215K97Very high94.3Very high115 Ų11560.5 Ų60.550%0.534%0.336SS..EExtended strand (participates in β ladder)trans-81120.3170.3-65.4178.9-176.3173.40108.9H225 Y226 W227K215-H225 HydrophobicContact CB-CB 4.49Å; K215-H225 HydrophobicContact CG-CB 4.46Å; K215-Y226 CarbonylContact C-O 3.53Å; K215-Y226 WeakPolarHBondContact CA-O 3.45Å; K215-W227 HydrophobicContact CD-CH2 4.34Å; K215-W227 HydrophobicContact CG-CD2 4.44Å; K215-W227 HydrophobicContact CG-CE3 4.1Å; K215-W227 HydrophobicContact CG-CH2 3.82Å; K215-W227 HydrophobicContact CG-CZ2 4.13Å; K215-W227 HydrophobicContact CG-CZ3 3.78Å
216V94.1Very high94.4Very high65 Ų6557.9 Ų57.939%0.39432%0.322SS..EExtended strand (participates in β ladder)trans-102.426.5-173.3-165.60000112I214 Y226I214-V216 HydrophobicContact CD1-CG2 4.32Å; I214-V216 HydrophobicContact CG1-CG2 4.06Å; V216-Y226 PolarHBondContact N-O 3.39Å
217G94.3Very high94.4Very high37 Ų3758.4 Ų58.438%0.38132%0.323SS..EExtended strand (participates in β ladder)trans101.1179.3-177.900000114.2H225 Y226G217-H225 VanDerWaalsContact O-CA 3.29Å; G217-H225 WeakPolarHBondContact O-CA 3.34Å; G217-H225 WeakPolarHBondContact O-CB 3.43Å; G217-Y226 PolarHBondContact O-N 2.95Å
218R95Very high94.4Very high169 Ų16958.3 Ų58.364%0.63832%0.323SS*.EExtended strand (participates in β ladder)trans-77.6139.7-175.2-163.5170.8-177.7103.22.1110.8G222 G224R218-G222 PolarHBondContact NH2-O 2.98Å; R218-G224 WeakPolarHBondContact CG-O 3.4Å
219A93Very high94.4Very high5 Ų555.7 Ų55.74%0.04130%0.303CS..  trans-65.5145.4176.600000111.8I177 N221 G222 G224 Y226I177-A219 HydrophobicContact CD1-CB 3.45Å; I177-A219 VanDerWaalsContact CD1-CB 3.45Å; I177-A219 HydrophobicContact CG1-CB 3.84Å; A219-N221 WeakPolarHBondContact CB-OD1 3.4Å; A219-N221 PolarHBondContact O-N 3.44Å; A219-G222 PolarHBondContact O-N 3.25Å; A219-G224 PolarHBondContact N-O 3.06Å; A219-Y226 HydrophobicContact CB-CE2 4.36Å
220A90.8Very high94.5Very high93 Ų9353.3 Ų53.377%0.76929%0.29SS*.THydrogen-bonded Turntrans-62.2-28.5179.800000112.6G222A220-G222 PolarHBondContact O-N 2.96Å
221N89Confident94.5Very high82 Ų8257.7 Ų57.744%0.43932%0.319SS..THydrogen-bonded Turntrans-75.2-1.4174.868.14.8000113.8A219 K223A219-N221 WeakPolarHBondContact CB-OD1 3.4Å; A219-N221 PolarHBondContact O-N 3.44Å; N221-K223 PolarHBondContact O-N 3.49Å; N221-K223 VanDerWaalsContact O-N 3.11Å; N221-K223 PolarHBondContact OD1-N 2.84Å
222G88.9Confident94.4Very high33 Ų3356 Ų5634%0.3431%0.314SS..SBendtrans71.2-4-176.700000115.2R218 A219 A220 G224R218-G222 PolarHBondContact NH2-O 2.98Å; A219-G222 PolarHBondContact O-N 3.25Å; A220-G222 PolarHBondContact O-N 2.96Å; G222-G224 PolarHBondContact O-N 3.22Å
223K88.1Confident94.4Very high167 Ų16756 Ų5673%0.72631%0.314SS*.SBendtrans-99.483.9-175.9-65.8-179.3-179.1177.40110.4N221N221-K223 PolarHBondContact O-N 3.49Å; N221-K223 VanDerWaalsContact O-N 3.11Å; N221-K223 PolarHBondContact OD1-N 2.84Å
224G93.4Very high94.2Very high33 Ų3358.1 Ų58.134%0.3433%0.325SS..SBendtrans88.7-154.7174.300000114R218 A219 G222R218-G224 WeakPolarHBondContact CG-O 3.4Å; A219-G224 PolarHBondContact N-O 3.06Å; G222-G224 PolarHBondContact O-N 3.22Å
225H96.9Very high94Very high76 Ų7663.1 Ų63.135%0.35235%0.345SS..EExtended strand (participates in β ladder)trans-122.6151.9-173.8-58.686.5000110.2K215 G217K215-H225 HydrophobicContact CB-CB 4.49Å; K215-H225 HydrophobicContact CG-CB 4.46Å; G217-H225 VanDerWaalsContact O-CA 3.29Å; G217-H225 WeakPolarHBondContact O-CA 3.34Å; G217-H225 WeakPolarHBondContact O-CB 3.43Å
226Y97.5Very high93.8Very high40 Ų4058.7 Ų58.716%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-71.1134.6164-72.4-64.5000109.6R175 I177 K215 V216 G217 A219R175-Y226 HydrophobicContact CG-CD1 4.01Å; R175-Y226 HydrophobicContact CG-CG 4.17Å; I177-Y226 HydrophobicContact CD1-CD1 4.39Å; I177-Y226 HydrophobicContact CD1-CE1 3.81Å; I177-Y226 HydrophobicContact CG1-CD1 3.59Å; I177-Y226 HydrophobicContact CG1-CE1 3.49Å; I177-Y226 VanDerWaalsContact CG1-CE1 3.49Å; K215-Y226 CarbonylContact C-O 3.53Å; K215-Y226 WeakPolarHBondContact CA-O 3.45Å; V216-Y226 PolarHBondContact N-O 3.39Å; G217-Y226 PolarHBondContact O-N 2.95Å; A219-Y226 HydrophobicContact CB-CE2 4.36Å
227W98.1Very high93.8Very high31 Ų3155.7 Ų55.712%0.11731%0.309CS..EExtended strand (participates in β ladder)trans-102.8131.4169.1-68.596000109.3I168 R175 M176 I181 L207 F213 I214 K215I168-W227 HydrophobicContact CD1-CB 4.33Å; R175-W227 CarbonylContact C-O 3.59Å; R175-W227 WeakPolarHBondContact CA-O 3.44Å; M176-W227 PolarHBondContact N-O 2.97Å; M176-W227 PolarHBondContact O-N 3.5Å; I181-W227 HydrophobicContact CD1-CB 4.37Å; L207-W227 HydrophobicContact CB-CD2 4.17Å; L207-W227 HydrophobicContact CB-CE3 4.09Å; L207-W227 HydrophobicContact CB-CH2 3.87Å; L207-W227 HydrophobicContact CB-CZ2 3.97Å; L207-W227 HydrophobicContact CB-CZ3 3.94Å; L207-W227 HydrophobicContact CD1-CD2 4.2Å; L207-W227 HydrophobicContact CD1-CG 4.25Å; L207-W227 HydrophobicContact CD2-CB 4.11Å; L207-W227 HydrophobicContact CD2-CD2 3.83Å; L207-W227 HydrophobicContact CD2-CE3 3.95Å; L207-W227 HydrophobicContact CD2-CG 3.92Å; L207-W227 HydrophobicContact CG-CD2 4.3Å; L207-W227 WeakPolarHBondContact O-CZ3 3.38Å; F213-W227 HydrophobicContact CB-CE3 4.29Å; I214-W227 WeakPolarHBondContact O-CA 3.2Å; K215-W227 HydrophobicContact CD-CH2 4.34Å; K215-W227 HydrophobicContact CG-CD2 4.44Å; K215-W227 HydrophobicContact CG-CE3 4.1Å; K215-W227 HydrophobicContact CG-CH2 3.82Å; K215-W227 HydrophobicContact CG-CZ2 4.13Å; K215-W227 HydrophobicContact CG-CZ3 3.78Å
228G97.2Very high93.8Very high2 Ų258.6 Ų58.62%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-129.6172.517700000111.4F213 I214F213-G228 CarbonylContact C-O 3.51Å; F213-G228 WeakPolarHBondContact CA-O 3.17Å; I214-G228 PolarHBondContact N-O 3.2Å; I214-G228 PolarHBondContact O-N 3.36Å
229I97Very high93.7Very high12 Ų1255.3 Ų55.36%0.06232%0.318CS..EExtended strand (participates in β ladder)trans-91.3135.9175.3-64.6156.5000108.7I168 L169 C212 F213 N233 L234 F237I168-I229 HydrophobicContact CB-CD1 4.17Å; I168-I229 HydrophobicContact CB-CG1 4.4Å; I168-I229 HydrophobicContact CD1-CG1 4.41Å; I168-I229 HydrophobicContact CG2-CD1 3.89Å; I168-I229 HydrophobicContact CG2-CG1 3.99Å; L169-I229 HydrophobicContact CD1-CD1 4.48Å; L169-I229 HydrophobicContact CD2-CD1 3.66Å; L169-I229 HydrophobicContact CG-CD1 3.73Å; C212-I229 CarbonylContact O-C 3.59Å; C212-I229 WeakPolarHBondContact O-CA 3.18Å; F213-I229 HydrophobicContact CD1-CG1 4.35Å; F213-I229 HydrophobicContact CE1-CG1 4.21Å; I229-N233 HydrophobicContact CG2-CB 4.05Å; I229-L234 HydrophobicContact CB-CD1 4.36Å; I229-L234 HydrophobicContact CD1-CD1 4.44Å; I229-L234 HydrophobicContact CG2-CB 4.47Å; I229-L234 HydrophobicContact CG2-CD1 4.48Å; I229-F237 HydrophobicContact CB-CD2 4.48Å; I229-F237 HydrophobicContact CD1-CB 4.41Å; I229-F237 HydrophobicContact CD1-CD2 3.78Å; I229-F237 HydrophobicContact CG1-CD2 3.91Å; I229-F237 HydrophobicContact CG1-CE2 4.36Å; I229-F237 HydrophobicContact CG2-CD2 3.69Å; I229-F237 HydrophobicContact CG2-CE2 4.1Å; I229-F237 HydrophobicContact CG2-CG 4.37Å
230H96.1Very high93.6Very high23 Ų2357 Ų5711%0.10634%0.335CS..  trans-58.2135.2174.8-170.1-80.7000109.8C212 I214 A232 N233 L234 V251C212-H230 PolarHBondContact O-N 2.85Å; I214-H230 HydrophobicContact CG2-CB 4.15Å; H230-A232 VanDerWaalsContact ND1-CB 3.29Å; H230-A232 WeakPolarHBondContact ND1-CB 3.29Å; H230-A232 PolarHBondContact ND1-N 3.5Å; H230-A232 VanDerWaalsContact ND1-N 3.19Å; H230-A232 PolarHBondContact O-N 3.44Å; H230-N233 PolarHBondContact O-N 2.86Å; H230-L234 PolarHBondContact O-N 3.29Å; H230-V251 HydrophobicContact CB-CG2 3.91Å
231P94.3Very high93.7Very high93 Ų9354.1 Ų54.160%0.60431%0.307SS*.Hα-helixtrans-54.4-33.8-174.818.9-32.7000113.4N233 L234P231-N233 PolarHBondContact O-N 3.34Å; P231-L234 PolarHBondContact O-N 3.07Å
232A93.4Very high93.8Very high33 Ų3351.5 Ų51.527%0.27329%0.292SS..Hα-helixtrans-60.3-23.4175.900000115.1H230 K250 A254H230-A232 VanDerWaalsContact ND1-CB 3.29Å; H230-A232 WeakPolarHBondContact ND1-CB 3.29Å; H230-A232 PolarHBondContact ND1-N 3.5Å; H230-A232 VanDerWaalsContact ND1-N 3.19Å; H230-A232 PolarHBondContact O-N 3.44Å; A232-K250 HydrophobicContact CB-CB 4.41Å; A232-A254 HydrophobicContact CB-CB 3.78Å
233N93.5Very high93.9Very high0 Ų055.7 Ų55.70%030%0.297CS..Hα-helixtrans-109.2-6.9-179.9-53.1121.4000113.4C212 I229 H230 P231 K235 D236 F237 A247 V251C212-N233 WeakPolarHBondContact CA-OD1 3.42Å; C212-N233 HydrophobicContact CB-CB 4.47Å; C212-N233 VanDerWaalsContact CB-OD1 3.24Å; C212-N233 WeakPolarHBondContact CB-OD1 3.29Å; I229-N233 HydrophobicContact CG2-CB 4.05Å; H230-N233 PolarHBondContact O-N 2.86Å; P231-N233 PolarHBondContact O-N 3.34Å; N233-K235 VanDerWaalsContact C-N 3.27Å; N233-K235 PolarHBondContact O-N 3.09Å; N233-D236 PolarHBondContact O-N 2.86Å; N233-F237 HydrophobicContact CB-CD1 4.25Å; N233-F237 HydrophobicContact CB-CE1 4.17Å; N233-F237 HydrophobicContact CB-CZ 4.33Å; N233-F237 WeakPolarHBondContact O-CB 3.36Å; N233-F237 PolarHBondContact O-N 3.42Å; N233-A247 WeakPolarHBondContact ND2-CA 3.45Å; N233-A247 PolarHBondContact ND2-O 3.46Å; N233-V251 WeakPolarHBondContact OD1-CG2 3.47Å
234L93.6Very high93.9Very high53 Ų5353.9 Ų53.928%0.27729%0.286SS..Hα-helixtrans-59.4-40.8-172.9-175.862.5000111.5L169 I229 H230 P231 L238L169-L234 HydrophobicContact CD2-CD1 3.89Å; I229-L234 HydrophobicContact CB-CD1 4.36Å; I229-L234 HydrophobicContact CD1-CD1 4.44Å; I229-L234 HydrophobicContact CG2-CB 4.47Å; I229-L234 HydrophobicContact CG2-CD1 4.48Å; H230-L234 PolarHBondContact O-N 3.29Å; P231-L234 PolarHBondContact O-N 3.07Å; L234-L238 HydrophobicContact CD1-CD1 4.48Å; L234-L238 HydrophobicContact CG-CD1 4.18Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 WeakPolarHBondContact O-CD1 3.35Å; L234-L238 WeakPolarHBondContact O-CG 3.38Å; L234-L238 PolarHBondContact O-N 2.63Å
235K93Very high93.6Very high163 Ų16360.7 Ų60.771%0.70930%0.302SS*.Hα-helixtrans-63.6-48.8177.3-171.3178.4178.8-176.70112N233 F237 L238 S239N233-K235 VanDerWaalsContact C-N 3.27Å; N233-K235 PolarHBondContact O-N 3.09Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.45Å; K235-L238 WeakPolarHBondContact O-CB 3.44Å; K235-L238 PolarHBondContact O-N 2.81Å; K235-S239 PolarHBondContact O-N 3.3Å; K235-S239 PolarHBondContact O-OG 3.13Å
236D92Very high93.1Very high23 Ų2360 Ų6012%0.12330%0.296CS..Hα-helixtrans-61.9-43.4-179.7-56.8-18.5000111.8N233 L238 S239 G240 D241 K250N233-D236 PolarHBondContact O-N 2.86Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.27Å; D236-S239 CarbonylContact O-C 3.55Å; D236-S239 WeakPolarHBondContact O-CA 3.44Å; D236-S239 WeakPolarHBondContact O-CB 3.49Å; D236-S239 PolarHBondContact O-N 3.26Å; D236-S239 VanDerWaalsContact O-N 3.13Å; D236-G240 PolarHBondContact O-N 2.99Å; D236-D241 HydrophobicContact CB-CB 4.35Å; D236-D241 PolarHBondContact O-N 3.41Å; D236-K250 IonicContact OD1-NZ 3.15Å; D236-K250 PolarHBondContact OD1-NZ 2.99Å; D236-K250 WeakPolarHBondContact OD2-CD 3.46Å; D236-K250 VanDerWaalsContact OD2-CE 3.31Å; D236-K250 WeakPolarHBondContact OD2-CE 3.48Å; D236-K250 IonicContact OD2-NZ 2.72Å; D236-K250 PolarHBondContact OD2-NZ 2.94Å
237F94.8Very high92.6Very high2 Ų258.1 Ų58.11%0.00929%0.289CS..Hα-helixtrans-69.5-32.9-178.4-75.715.1000111I161 A165 L169 C212 F213 I229 N233 K235 S239 G240 D241 F242 A247I161-F237 HydrophobicContact CG2-CE2 4.48Å; I161-F237 HydrophobicContact CG2-CZ 4.02Å; A165-F237 HydrophobicContact CB-CD2 3.51Å; A165-F237 HydrophobicContact CB-CE2 3.86Å; A165-F237 HydrophobicContact CB-CG 4.21Å; L169-F237 HydrophobicContact CD1-CB 4.04Å; L169-F237 VanDerWaalsContact CD1-O 3.25Å; L169-F237 WeakPolarHBondContact CD1-O 3.47Å; C212-F237 HydrophobicContact CB-CE2 4.24Å; C212-F237 HydrophobicContact CB-CZ 3.97Å; F213-F237 HydrophobicContact CE1-CE2 4.08Å; F213-F237 HydrophobicContact CZ-CE2 4.27Å; I229-F237 HydrophobicContact CB-CD2 4.48Å; I229-F237 HydrophobicContact CD1-CB 4.41Å; I229-F237 HydrophobicContact CD1-CD2 3.78Å; I229-F237 HydrophobicContact CG1-CD2 3.91Å; I229-F237 HydrophobicContact CG1-CE2 4.36Å; I229-F237 HydrophobicContact CG2-CD2 3.69Å; I229-F237 HydrophobicContact CG2-CE2 4.1Å; I229-F237 HydrophobicContact CG2-CG 4.37Å; N233-F237 HydrophobicContact CB-CD1 4.25Å; N233-F237 HydrophobicContact CB-CE1 4.17Å; N233-F237 HydrophobicContact CB-CZ 4.33Å; N233-F237 WeakPolarHBondContact O-CB 3.36Å; N233-F237 PolarHBondContact O-N 3.42Å; K235-F237 VanDerWaalsContact C-N 3.34Å; K235-F237 PolarHBondContact O-N 3.45Å; F237-S239 VanDerWaalsContact C-N 3.35Å; F237-G240 PolarHBondContact O-N 3.34Å; F237-D241 WeakPolarHBondContact CD1-O 3.5Å; F237-D241 WeakPolarHBondContact CE1-O 3.35Å; F237-F242 HydrophobicContact CB-CD1 4.24Å; F237-F242 HydrophobicContact CB-CE1 4.05Å; F237-F242 HydrophobicContact CD1-CD1 4.04Å; F237-F242 HydrophobicContact CD2-CD1 4.43Å; F237-F242 HydrophobicContact CE1-CD1 4.49Å; F237-F242 AromaticContact CG-CD1 4Å; F237-F242 HydrophobicContact CG-CD1 4Å; F237-F242 HydrophobicContact CG-CE1 4.3Å; F237-F242 VanDerWaalsContact O-CE1 3.27Å; F237-F242 WeakPolarHBondContact O-CE1 3.34Å; F237-A247 HydrophobicContact CE1-CB 3.89Å; F237-A247 HydrophobicContact CZ-CB 4.02Å
238L93.6Very high92.1Very high97 Ų9759 Ų5951%0.50829%0.294SS..Hα-helixtrans-65.6-37.3170.6-76.2167.5000112L169 L234 K235 D236 G240L169-L238 HydrophobicContact CD1-CD2 4.41Å; L169-L238 HydrophobicContact CD2-CD2 3.73Å; L169-L238 HydrophobicContact CD2-CG 4Å; L234-L238 HydrophobicContact CD1-CD1 4.48Å; L234-L238 HydrophobicContact CG-CD1 4.18Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 WeakPolarHBondContact O-CD1 3.35Å; L234-L238 WeakPolarHBondContact O-CG 3.38Å; L234-L238 PolarHBondContact O-N 2.63Å; K235-L238 WeakPolarHBondContact O-CB 3.44Å; K235-L238 PolarHBondContact O-N 2.81Å; D236-L238 VanDerWaalsContact C-N 3.31Å; D236-L238 PolarHBondContact O-N 3.27Å; L238-G240 PolarHBondContact O-N 3.26Å
239S92.6Very high91.7Very high101 Ų10161.6 Ų61.671%0.70630%0.303SS*.Hα-helixtrans-72.7-10.2173.8-630000113.8K235 D236 F237K235-S239 PolarHBondContact O-N 3.3Å; K235-S239 PolarHBondContact O-OG 3.13Å; D236-S239 CarbonylContact O-C 3.55Å; D236-S239 WeakPolarHBondContact O-CA 3.44Å; D236-S239 WeakPolarHBondContact O-CB 3.49Å; D236-S239 PolarHBondContact O-N 3.26Å; D236-S239 VanDerWaalsContact O-N 3.13Å; F237-S239 VanDerWaalsContact C-N 3.35Å
240G91.9Very high91.2Very high39 Ų3964 Ų6440%0.40231%0.313SS..THydrogen-bonded Turntrans94.54.6179.400000115.2D236 F237 L238 F242D236-G240 PolarHBondContact O-N 2.99Å; F237-G240 PolarHBondContact O-N 3.34Å; L238-G240 PolarHBondContact O-N 3.26Å; G240-F242 WeakPolarHBondContact O-CD2 3.18Å; G240-F242 VanDerWaalsContact O-CE2 3.25Å; G240-F242 WeakPolarHBondContact O-CE2 3.38Å; G240-F242 PolarHBondContact O-N 3.17Å
241D92Very high90.9Very high34 Ų3463 Ų6318%0.18231%0.309CS..  trans-85.299.7175.8-178.24.4000110.9D236 F237 R243 R246D236-D241 HydrophobicContact CB-CB 4.35Å; D236-D241 PolarHBondContact O-N 3.41Å; F237-D241 WeakPolarHBondContact CD1-O 3.5Å; F237-D241 WeakPolarHBondContact CE1-O 3.35Å; D241-R243 VanDerWaalsContact OD1-CB 3.22Å; D241-R243 WeakPolarHBondContact OD1-CB 3.48Å; D241-R243 WeakPolarHBondContact OD1-CD 3.43Å; D241-R243 WeakPolarHBondContact OD1-CG 3.43Å; D241-R243 PolarHBondContact OD1-N 2.81Å; D241-R246 WeakPolarHBondContact OD2-CD 3.41Å; D241-R246 IonicContact OD2-CZ 2.83Å; D241-R246 IonicContact OD2-NE 3.58Å; D241-R246 IonicContact OD2-NH1 2.95Å; D241-R246 PolarHBondContact OD2-NH1 2.94Å
242F91.6Very high90.7Very high26 Ų2662.9 Ų62.911%0.11430%0.296CS..  trans-10121.2178.9-47.5-65.3000113F158 A165 K166 L169 F237 G240 R244F158-F242 HydrophobicContact CE1-CE2 4.43Å; A165-F242 HydrophobicContact CB-CD1 3.57Å; A165-F242 HydrophobicContact CB-CE1 3.65Å; K166-F242 HydrophobicContact CG-CE2 4.45Å; K166-F242 HydrophobicContact CG-CZ 4.04Å; L169-F242 HydrophobicContact CD1-CE1 4.49Å; F237-F242 HydrophobicContact CB-CD1 4.24Å; F237-F242 HydrophobicContact CB-CE1 4.05Å; F237-F242 HydrophobicContact CD1-CD1 4.04Å; F237-F242 HydrophobicContact CD2-CD1 4.43Å; F237-F242 HydrophobicContact CE1-CD1 4.49Å; F237-F242 AromaticContact CG-CD1 4Å; F237-F242 HydrophobicContact CG-CD1 4Å; F237-F242 HydrophobicContact CG-CE1 4.3Å; F237-F242 VanDerWaalsContact O-CE1 3.27Å; F237-F242 WeakPolarHBondContact O-CE1 3.34Å; G240-F242 WeakPolarHBondContact O-CD2 3.18Å; G240-F242 VanDerWaalsContact O-CE2 3.25Å; G240-F242 WeakPolarHBondContact O-CE2 3.38Å; G240-F242 PolarHBondContact O-N 3.17Å; F242-R244 PolarHBondContact O-N 3.29Å; F242-R244 VanDerWaalsContact O-N 3.13Å
243R90.7Very high90.5Very high121 Ų12164.5 Ų64.546%0.45730%0.295SS..  trans-67.1110.9-177.2-69.2171.380.2-155.94.8110.9D241 R245 R246 A247 D269D241-R243 VanDerWaalsContact OD1-CB 3.22Å; D241-R243 WeakPolarHBondContact OD1-CB 3.48Å; D241-R243 WeakPolarHBondContact OD1-CD 3.43Å; D241-R243 WeakPolarHBondContact OD1-CG 3.43Å; D241-R243 PolarHBondContact OD1-N 2.81Å; R243-R245 PolarHBondContact O-N 3.47Å; R243-R246 HydrophobicContact CB-CB 4.33Å; R243-R246 VanDerWaalsContact NH1-CZ 3.26Å; R243-R246 PolarHBondContact O-N 3.05Å; R243-A247 PolarHBondContact O-N 3.11Å; R243-D269 IonicContact NH1-OD2 3.19Å; R243-D269 PolarHBondContact NH1-OD2 3.42Å
244R88.5Confident90.3Very high129 Ų12967.5 Ų67.549%0.48732%0.32SS..Hα-helixtrans-45.4-52.3-179-173.3178.969.8-171.1-1114I161 N210 F242 R246 A247 Q248I161-R244 HydrophobicContact CD1-CB 3.47Å; I161-R244 VanDerWaalsContact CD1-CB 3.47Å; I161-R244 HydrophobicContact CD1-CG 3.48Å; I161-R244 VanDerWaalsContact CD1-CG 3.48Å; N210-R244 VanDerWaalsContact OD1-CD 3.25Å; N210-R244 WeakPolarHBondContact OD1-CD 3.05Å; N210-R244 VanDerWaalsContact OD1-CG 3.29Å; N210-R244 WeakPolarHBondContact OD1-CG 3.46Å; F242-R244 PolarHBondContact O-N 3.29Å; F242-R244 VanDerWaalsContact O-N 3.13Å; R244-R246 PolarHBondContact O-N 2.73Å; R244-A247 PolarHBondContact O-N 2.94Å; R244-Q248 HydrophobicContact CG-CG 4.33Å; R244-Q248 WeakPolarHBondContact O-CG 3.19Å; R244-Q248 PolarHBondContact O-N 3.42Å
245R88.2Confident90.1Very high177 Ų17769.4 Ų69.467%0.66833%0.33SS*.Hα-helixtrans-61.6-45.1-173.6-74.2-172.2-77.5-175.3-2.3111.6R243 R249R243-R245 PolarHBondContact O-N 3.47Å; R245-R249 WeakPolarHBondContact O-CG 3.45Å; R245-R249 PolarHBondContact O-N 3.26Å; R245-R249 VanDerWaalsContact O-N 3.09Å
246R86.4Confident89.8Confident60 Ų6064.9 Ų64.923%0.22633%0.329CS..Hα-helixtrans-65.5-43.2177.5-172.1179.4-81.9177.1-11.6110.8D241 R243 R244 Q248 R249 K250 D269D241-R246 WeakPolarHBondContact OD2-CD 3.41Å; D241-R246 IonicContact OD2-CZ 2.83Å; D241-R246 IonicContact OD2-NE 3.58Å; D241-R246 IonicContact OD2-NH1 2.95Å; D241-R246 PolarHBondContact OD2-NH1 2.94Å; R243-R246 HydrophobicContact CB-CB 4.33Å; R243-R246 VanDerWaalsContact NH1-CZ 3.26Å; R243-R246 PolarHBondContact O-N 3.05Å; R244-R246 PolarHBondContact O-N 2.73Å; R246-Q248 PolarHBondContact O-N 2.79Å; R246-R249 PolarHBondContact O-N 3.06Å; R246-K250 PolarHBondContact O-N 3.03Å; R246-K250 VanDerWaalsContact O-N 3.11Å; R246-D269 IonicContact CZ-OD2 2.73Å; R246-D269 IonicContact NH2-OD2 2.79Å; R246-D269 PolarHBondContact NH2-OD2 2.81Å
247A85.6Confident89.5Confident2 Ų268 Ų682%0.01735%0.346CS..Hα-helixtrans-61.1-48.2178.600000112.3C212 N233 F237 R243 R244 K250 V251C212-A247 HydrophobicContact CB-CB 4.14Å; N233-A247 WeakPolarHBondContact ND2-CA 3.45Å; N233-A247 PolarHBondContact ND2-O 3.46Å; F237-A247 HydrophobicContact CE1-CB 3.89Å; F237-A247 HydrophobicContact CZ-CB 4.02Å; R243-A247 PolarHBondContact O-N 3.11Å; R244-A247 PolarHBondContact O-N 2.94Å; A247-K250 PolarHBondContact O-N 3.01Å; A247-V251 WeakPolarHBondContact O-CG2 3.39Å; A247-V251 PolarHBondContact O-N 3.41Å; A247-V251 VanDerWaalsContact O-N 3.09Å
248Q88Confident88.7Confident48 Ų4869.8 Ų69.822%0.22436%0.358CS..Hα-helixtrans-61.3-44.5177.7-74.2176.9-19.300112.5N210 R244 R246 K250 V251 R252N210-Q248 PolarHBondContact OD1-NE2 2.64Å; R244-Q248 HydrophobicContact CG-CG 4.33Å; R244-Q248 WeakPolarHBondContact O-CG 3.19Å; R244-Q248 PolarHBondContact O-N 3.42Å; R246-Q248 PolarHBondContact O-N 2.79Å; Q248-K250 VanDerWaalsContact C-N 3.33Å; Q248-K250 PolarHBondContact O-N 3.24Å; Q248-V251 PolarHBondContact O-N 3.47Å; Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 2.91Å
249R88.5Confident87.8Confident58 Ų5873.2 Ų73.222%0.21936%0.364CS..Hα-helixtrans-56.3-46.9176-79.9-172.4-93.5131.3-17.6111.5R245 R246 V251 R252 R253 D266R245-R249 WeakPolarHBondContact O-CG 3.45Å; R245-R249 PolarHBondContact O-N 3.26Å; R245-R249 VanDerWaalsContact O-N 3.09Å; R246-R249 PolarHBondContact O-N 3.06Å; R249-V251 PolarHBondContact O-N 3.07Å; R249-R252 PolarHBondContact O-N 3.04Å; R249-R253 WeakPolarHBondContact O-CG 3.28Å; R249-R253 PolarHBondContact O-N 3.47Å; R249-D266 IonicContact NH1-OD1 3.81Å
250K87.7Confident86.6Confident62 Ų6273.6 Ų73.627%0.2737%0.365SS..Hα-helixtrans-62.7-39.4178.2-73.9-179.3177.3-173.40113.2A232 D236 R246 A247 Q248 R253 A254A232-K250 HydrophobicContact CB-CB 4.41Å; D236-K250 IonicContact OD1-NZ 3.15Å; D236-K250 PolarHBondContact OD1-NZ 2.99Å; D236-K250 WeakPolarHBondContact OD2-CD 3.46Å; D236-K250 VanDerWaalsContact OD2-CE 3.31Å; D236-K250 WeakPolarHBondContact OD2-CE 3.48Å; D236-K250 IonicContact OD2-NZ 2.72Å; D236-K250 PolarHBondContact OD2-NZ 2.94Å; R246-K250 PolarHBondContact O-N 3.03Å; R246-K250 VanDerWaalsContact O-N 3.11Å; A247-K250 PolarHBondContact O-N 3.01Å; Q248-K250 VanDerWaalsContact C-N 3.33Å; Q248-K250 PolarHBondContact O-N 3.24Å; K250-R253 PolarHBondContact O-N 2.93Å; K250-A254 WeakPolarHBondContact O-CB 3.45Å; K250-A254 PolarHBondContact O-N 3.3Å
251V88.7Confident85.4Confident1 Ų177.4 Ų77.41%0.00638%0.376CS..Hα-helixtrans-67.4-45.6175.3-178.30000111D211 C212 H230 N233 A247 Q248 R249 R253 A254 L255D211-V251 HydrophobicContact CB-CB 4.06Å; D211-V251 HydrophobicContact CB-CG1 3.59Å; D211-V251 HydrophobicContact CB-CG2 4.46Å; C212-V251 HydrophobicContact CB-CG2 4.5Å; H230-V251 HydrophobicContact CB-CG2 3.91Å; N233-V251 WeakPolarHBondContact OD1-CG2 3.47Å; A247-V251 WeakPolarHBondContact O-CG2 3.39Å; A247-V251 PolarHBondContact O-N 3.41Å; A247-V251 VanDerWaalsContact O-N 3.09Å; Q248-V251 PolarHBondContact O-N 3.47Å; R249-V251 PolarHBondContact O-N 3.07Å; V251-R253 PolarHBondContact O-N 2.86Å; V251-A254 CarbonylContact O-C 3.52Å; V251-A254 PolarHBondContact O-N 2.89Å; V251-A254 VanDerWaalsContact O-N 3.09Å; V251-L255 HydrophobicContact CG1-CD1 3.63Å; V251-L255 HydrophobicContact CG1-CG 4Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.39Å; V251-L255 PolarHBondContact O-N 3.27Å
252R90.3Very high84.1Confident91 Ų9177.7 Ų77.734%0.34338%0.377SS..Hα-helixtrans-58.9-37176.8-69.6174.965.687.811.7112.3Q248 R249 G256 L257 S258Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 2.91Å; R249-R252 PolarHBondContact O-N 3.04Å; R252-G256 PolarHBondContact O-N 3.39Å; R252-L257 PolarHBondContact NH2-O 3.41Å; R252-L257 PolarHBondContact O-N 3.09Å; R252-S258 PolarHBondContact O-N 3.49Å; R252-S258 PolarHBondContact O-OG 3.45Å
253R89.1Confident82.6Confident68 Ų6884.4 Ų84.426%0.25741%0.407SS..Hα-helixtrans-64.7-48.6171.6-70.7173.6-164.3148.4-3.9112.1R249 K250 V251 L255 G256 S258 D262 D266R249-R253 WeakPolarHBondContact O-CG 3.28Å; R249-R253 PolarHBondContact O-N 3.47Å; K250-R253 PolarHBondContact O-N 2.93Å; V251-R253 PolarHBondContact O-N 2.86Å; R253-L255 PolarHBondContact O-N 2.87Å; R253-G256 PolarHBondContact O-N 3.42Å; R253-G256 VanDerWaalsContact O-N 3.11Å; R253-S258 WeakPolarHBondContact CA-OG 3.49Å; R253-S258 WeakPolarHBondContact CG-OG 3.12Å; R253-S258 PolarHBondContact N-OG 3.08Å; R253-D262 PolarHBondContact NH2-O 2.93Å; R253-D266 VanDerWaalsContact CZ-CG 3.41Å; R253-D266 IonicContact CZ-OD1 2.67Å; R253-D266 IonicContact CZ-OD2 2.68Å; R253-D266 IonicContact NE-OD2 2.69Å; R253-D266 IonicContact NH1-OD1 3.38Å; R253-D266 PolarHBondContact NH1-OD1 3.23Å; R253-D266 IonicContact NH1-OD2 3.77Å; R253-D266 PolarHBondContact NH1-OD2 3.43Å; R253-D266 IonicContact NH2-OD1 2.76Å; R253-D266 PolarHBondContact NH2-OD1 3.4Å; R253-D266 IonicContact NH2-OD2 3.61Å; R253-D266 PolarHBondContact NH2-OD2 3.03Å
254A89.3Confident81.1Confident63 Ų6385.1 Ų85.152%0.52142%0.418SS..Hα-helixtrans-63.5-27.2178.200000113.5A232 K250 V251A232-A254 HydrophobicContact CB-CB 3.78Å; K250-A254 WeakPolarHBondContact O-CB 3.45Å; K250-A254 PolarHBondContact O-N 3.3Å; V251-A254 CarbonylContact O-C 3.52Å; V251-A254 PolarHBondContact O-N 2.89Å; V251-A254 VanDerWaalsContact O-N 3.09Å
255L89.8Confident79.8Confident93 Ų9383.7 Ų83.749%0.48742%0.421SS..THydrogen-bonded Turntrans-90.91.1177.1-63178.7000113.8V251 R253 L257V251-L255 HydrophobicContact CG1-CD1 3.63Å; V251-L255 HydrophobicContact CG1-CG 4Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.39Å; V251-L255 PolarHBondContact O-N 3.27Å; R253-L255 PolarHBondContact O-N 2.87Å; L255-L257 HydrophobicContact CB-CD1 4.13Å; L255-L257 HydrophobicContact CB-CG 4.06Å; L255-L257 HydrophobicContact CD1-CD1 4.43Å; L255-L257 PolarHBondContact O-N 3.43Å
256G87.7Confident78.4Confident67 Ų6779.3 Ų79.369%0.69141%0.41SS*.THydrogen-bonded Turntrans70.115-17800000114.9R252 R253R252-G256 PolarHBondContact O-N 3.39Å; R253-G256 PolarHBondContact O-N 3.42Å; R253-G256 VanDerWaalsContact O-N 3.11Å
257L85.3Confident77Confident89 Ų8983.3 Ų83.347%0.46644%0.436SS..  trans-97.717.2-177.2-58.1179000113.1R252 L255R252-L257 PolarHBondContact NH2-O 3.41Å; R252-L257 PolarHBondContact O-N 3.09Å; L255-L257 HydrophobicContact CB-CD1 4.13Å; L255-L257 HydrophobicContact CB-CG 4.06Å; L255-L257 HydrophobicContact CD1-CD1 4.43Å; L255-L257 PolarHBondContact O-N 3.43Å
258S76.8Confident75.7Confident39 Ų3989.7 Ų89.727%0.27347%0.47SS..  trans-77.6134.2-179-59.70000110.4R252 R253 D262R252-S258 PolarHBondContact O-N 3.49Å; R252-S258 PolarHBondContact O-OG 3.45Å; R253-S258 WeakPolarHBondContact CA-OG 3.49Å; R253-S258 WeakPolarHBondContact CG-OG 3.12Å; R253-S258 PolarHBondContact N-OG 3.08Å; S258-D262 WeakPolarHBondContact CA-OD2 3.35Å
259R74.6Confident74.3Confident169 Ų16991.6 Ų91.664%0.63848%0.482SS*.  trans-71.6152.1168.7-67.5-175.4173.2-147.5-2.3108.5D261 D262R259-D261 PolarHBondContact O-N 3.46Å; R259-D261 VanDerWaalsContact O-N 3.07Å; R259-D262 PolarHBondContact N-OD2 2.92Å; R259-D262 WeakPolarHBondContact O-CB 3.22Å; R259-D262 PolarHBondContact O-N 3.21Å
260P67.7Low72.7Confident110 Ų11096.1 Ų96.171%0.71451%0.51SS*.G310 helixtrans-51.3-31.2173.7-27.135.3000112.9D262P260-D262 VanDerWaalsContact C-N 3.32Å; P260-D262 PolarHBondContact O-N 3.48Å
261D67.2Low71.1Confident119 Ų11999.9 Ų99.964%0.63653%0.533SS*.G310 helixtrans-70.8-19.7178.5-50.2-39.9000113.9R259 K263R259-D261 PolarHBondContact O-N 3.46Å; R259-D261 VanDerWaalsContact O-N 3.07Å; D261-K263 PolarHBondContact O-N 3.02Å; D261-K263 VanDerWaalsContact O-N 3.12Å
262D63.8Low69.1Low39 Ų39102.5 Ų102.521%0.20956%0.561CS.*G310 helixtrans-73.7-0.9-179-66.9-39.4000113.3R253 S258 R259 P260R253-D262 PolarHBondContact NH2-O 2.93Å; S258-D262 WeakPolarHBondContact CA-OD2 3.35Å; R259-D262 PolarHBondContact N-OD2 2.92Å; R259-D262 WeakPolarHBondContact O-CB 3.22Å; R259-D262 PolarHBondContact O-N 3.21Å; P260-D262 VanDerWaalsContact C-N 3.32Å; P260-D262 PolarHBondContact O-N 3.48Å
263K60.9Low67Low168 Ų168108.1 Ų108.173%0.7359%0.591SS**G310 helixtrans-90.3-3-175.3-68.6-166176.3-170.60114.7D261D261-K263 PolarHBondContact O-N 3.02Å; D261-K263 VanDerWaalsContact O-N 3.12Å
264L59Low64.8Low135 Ų135112.1 Ų112.171%0.70761%0.611SS**SBendtrans-106-6.7-173.1-67171.8000115.3
265D60.9Low63Low100 Ų100114.5 Ų114.554%0.53562%0.622SS.*SBendtrans-110.923.9-171.5-60-23000114.8
266D58.4Low61Low84 Ų84116.5 Ų116.545%0.44963%0.634SS.*SBendtrans-101-8-179.8-75.6-27.4000114.7R249 R253R249-D266 IonicContact NH1-OD1 3.81Å; R253-D266 VanDerWaalsContact CZ-CG 3.41Å; R253-D266 IonicContact CZ-OD1 2.67Å; R253-D266 IonicContact CZ-OD2 2.68Å; R253-D266 IonicContact NE-OD2 2.69Å; R253-D266 IonicContact NH1-OD1 3.38Å; R253-D266 PolarHBondContact NH1-OD1 3.23Å; R253-D266 IonicContact NH1-OD2 3.77Å; R253-D266 PolarHBondContact NH1-OD2 3.43Å; R253-D266 IonicContact NH2-OD1 2.76Å; R253-D266 PolarHBondContact NH2-OD1 3.4Å; R253-D266 IonicContact NH2-OD2 3.61Å; R253-D266 PolarHBondContact NH2-OD2 3.03Å
267D58.4Low59.2Low145 Ų145116.1 Ų116.178%0.77563%0.629SS**SBendtrans-104.6-0.5-173-64.6-45.8000115
268D57.5Low57.6Low135 Ų135118.7 Ų118.772%0.72265%0.648SS**  trans-111.516.7-169.2-69.5-42.2000117
269D58Low56.3Low88 Ų88124.7 Ų124.747%0.47168%0.677SS.*  trans-111.228.2175.8-76.8-36.1000112.9R243 R246R243-D269 IonicContact NH1-OD2 3.19Å; R243-D269 PolarHBondContact NH1-OD2 3.42Å; R246-D269 IonicContact CZ-OD2 2.73Å; R246-D269 IonicContact NH2-OD2 2.79Å; R246-D269 PolarHBondContact NH2-OD2 2.81Å
270D54.8Low55Low153 Ų153120 Ų12082%0.81868%0.681SS**  trans-101.955.1165.5-164.143.2000109.9G272D270-G272 PolarHBondContact O-N 3.24Å
271D53.9Low54.1Low141 Ų141122.7 Ų122.775%0.75469%0.69SS**  trans-80.692.1163.459.7-32.6000108.7E273D271-E273 PolarHBondContact O-N 3.36Å
272G46.9Very low53.1Low57 Ų57120.7 Ų120.759%0.58870%0.697SS**  trans-50.8131.8-179.500000113.6D270 F274D270-G272 PolarHBondContact O-N 3.24Å; G272-F274 PolarHBondContact O-N 2.92Å
273E46.9Very low52.4Low208 Ų208128.7 Ų128.797%0.97273%0.734SS**  trans-68.469.7149.2-162175.1-155.300107.4D271D271-E273 PolarHBondContact O-N 3.36Å
274F44Very low51.8Low153 Ų153124.6 Ų124.667%0.67174%0.739SS**  trans-92.6113.2170.1-170.9-115.3000108G272 D276G272-F274 PolarHBondContact O-N 2.92Å; F274-D276 WeakPolarHBondContact CD1-OD2 3.41Å; F274-D276 WeakPolarHBondContact CE1-OD1 3.45Å; F274-D276 WeakPolarHBondContact CE1-OD2 3.22Å; F274-D276 PolarHBondContact O-N 3.07Å; F274-D276 VanDerWaalsContact O-N 3.1Å
275C50.1Low51.4Low113 Ų113126.3 Ų126.376%0.76475%0.749SS**  trans-70.192.517146.30000109.9G277C275-G277 PolarHBondContact O-N 3.18Å
276D48.6Very low50.6Low135 Ų135125 Ų12572%0.72276%0.758SS**  trans-85.8100.1161.3-89-38.9000109.6F274F274-D276 WeakPolarHBondContact CD1-OD2 3.41Å; F274-D276 WeakPolarHBondContact CE1-OD1 3.45Å; F274-D276 WeakPolarHBondContact CE1-OD2 3.22Å; F274-D276 PolarHBondContact O-N 3.07Å; F274-D276 VanDerWaalsContact O-N 3.1Å
277G49.2Very low49.8Very low58 Ų58124.5 Ų124.560%0.59877%0.774SS**  trans-74.7161.6159.400000111.4C275C275-G277 PolarHBondContact O-N 3.18Å
278V51.1Low49.2Very low143 Ų143124 Ų12487%0.86778%0.781SS**  trans84.4114.4153.8-166.10000115.7
279D50.1Low48.5Very low165 Ų165121.5 Ų121.588%0.88279%0.787SS**  trans-49.2141.5171.4-50.1-76.4000113.4
280G47.9Very low47.8Very low70 Ų70124.8 Ų124.872%0.72281%0.805SS**  trans-166.994.7174.500000110.6
281D47.9Very low47.4Very low167 Ų167129.5 Ų129.589%0.89381%0.811SS**  trans-51.8137.2168.350.2-32.9000114
282G47.3Very low46.7Very low77 Ų77125.4 Ų125.479%0.79480%0.803SS**  trans-176.890.9175.200000112.9
283E49.5Very low46.5Very low208 Ų208133.3 Ų133.397%0.97282%0.821SS**  trans-63.4143.2172.2-62.3-179.3146.500112.1
284G46.5Very low46.3Very low82 Ų82130.3 Ų130.385%0.84581%0.812SS**  trans-173.1107.6174.500000113.6
285D50.5Low46.4Very low171 Ų171131 Ų13191%0.91482%0.817SS**  trans-80.8159.1-168.8173.835.4000116
286G45Very low46.1Very low71 Ų71132.5 Ų132.573%0.73282%0.818SS**  trans98.1128.3157.600000116.4
287G42.8Very low45.7Very low75 Ų75131.3 Ų131.377%0.77382%0.82SS**  cis158.6121.46.300000110.1
288S45.1Very low45.5Very low133 Ų133137 Ų13793%0.9384%0.836SS**  trans50.2129.4150.4-81.60000124
289G42.9Very low44.9Very low83 Ų83135.3 Ų135.386%0.85683%0.827SS**  trans-165.976.1157.900000112.7
290N42.9Very low44.3Very low157 Ų157134.7 Ų134.784%0.8482%0.823SS**  trans-74.5139.4-178.2-112-5.9000114.2
291R46.5Very low43.8Very low252 Ų252136.7 Ų136.795%0.95182%0.817SS**  trans-154114.5144.6-56.3-174.3-159.8-171.55.8105.3
292G38.1Very low43.2Very low56 Ų56138.2 Ų138.258%0.57781%0.812SS**  cis11087.62100000109.3
293F44.4Very low42.8Very low222 Ų222139.5 Ų139.597%0.97481%0.807SS**  trans-161.9111153.2-93.4-68.8000109.7
294D42.7Very low42.1Very low146 Ų146137.1 Ų137.178%0.78180%0.8SS**  trans-95.5179.9-176.3-66.4-63.1000113.4
295H45.7Very low41.8Very low168 Ų168138.9 Ų138.978%0.77880%0.799SS**  trans98.7124.1171-69.7-80.6000115
296D44.2Very low41.1Very low144 Ų144141.2 Ų141.277%0.7780%0.797SS**  cis-155.7152.78.7-97.8-41000110.2
297S39.9Very low40.9Very low110 Ų110143.7 Ų143.777%0.76980%0.8SS**  trans-97140.3-177.5-50.30000111.4
298L44.8Very low40.6Very low178 Ų178147.7 Ų147.793%0.93280%0.803SS**  trans-145.3133.3146.7-77.8-176.2000110.9
299P38.1Very low40.4Very low106 Ų106148.8 Ų148.869%0.68880%0.796SS**  trans-106.7160.8-169.540-33.5000115.5
300L38Very low40Very low152 Ų152149.9 Ų149.980%0.79679%0.788SS**  trans47.9116.1141.6-67.4168000120.4
301N38.2Very low39.6Very low112 Ų112150.9 Ų150.960%0.59979%0.788SS**  157.5127.895.9-104.5-10.4000116
302Y35.3Very low39.1Very low199 Ų199146.4 Ų146.478%0.7878%0.782SS**  trans62.7160.6144.3-63.9-60.6000122.7
303P38.2Very low39Very low105 Ų105152.5 Ų152.568%0.68279%0.793SS**  cis-138.3163.1-43.137.4-20.7000114.6
304L34.3Very low38.5Very low158 Ų158149.6 Ų149.683%0.82778%0.783SS**  trans25.7107.7146.3-79.8150.1000120.2
305S39.5Very low38Very low119 Ų119147.9 Ų147.983%0.83278%0.781SS**  trans-169.5117.3131.7-151.20000110.7
306Y36.6Very low37.7Very low220 Ų220147.3 Ų147.386%0.86378%0.782SS**  trans-93.9135.7177-74.7-89.3000111.1
307P41.2Very low37.3Very low123 Ų123149 Ų14980%0.79979%0.785SS**  trans-110.8137.3147.730-17.2000111.6
308L36.8Very low37.7Very low159 Ų159149 Ų14983%0.83278%0.782SS**  trans-53163.6168.7-111.683.9000114.1
309I40.5Very low37.3Very low156 Ų156149.4 Ų149.480%0.878%0.779SS**  trans108.1139.8157.7-62.2146.4000115
310P34.1Very low37.5Very low105 Ų105151.9 Ų151.968%0.68278%0.784SS**  -130.2174.4-99.6226.8000114.1
311Q34.9Very low37.3Very low178 Ų178148.6 Ų148.683%0.83277%0.774SS**  trans52.189.4151.5-59.4-97.3-27.500117.2
312L35.7Very low37.2Very low159 Ų159149.2 Ų149.283%0.83278%0.782SS**  trans-108.2112.2158.8-101.4153000109.9Q314L312-Q314 PolarHBondContact O-N 3.5Å
313F36.3Very low37.3Very low183 Ų183149.8 Ų149.880%0.80379%0.785SS**  trans-56.3116.1154.8-96.7-103.6000108.7
314Q34.2Very low37Very low162 Ų162152.5 Ų152.576%0.75779%0.788SS**  trans-142.894.2161.3-152.990.217.300108.2L312L312-Q314 PolarHBondContact O-N 3.5Å
315C31.5Very low37.1Very low110 Ų110153.2 Ų153.274%0.74379%0.792SS**  trans-124.395.5171.5-50.70000108.8
316I38.5Very low36.7Very low155 Ų155153.1 Ų153.180%0.79579%0.786SS**  trans55.293.1138.3-48.6164.5000116.1
317H35.8Very low36.6Very low180 Ų180147.7 Ų147.783%0.83378%0.781SS**PPolyproline II helixtrans-77.7126.8153.8-70.795.8000109.1
318P49.5Very low36.3Very low110 Ų110147.4 Ų147.471%0.71478%0.782SS**PPolyproline II helixtrans-80.3122.2161.429.8-26.9000109.7I320P318-I320 PolarHBondContact O-N 3.41Å
319H35.8Very low36Very low186 Ų186144.6 Ų144.686%0.86178%0.781SS**PPolyproline II helixtrans-56123.3166-112-94.8000110
320I41.8Very low35.8Very low158 Ų158144 Ų14481%0.8178%0.784SS**  trans-119.2120.3159.3-66.7178000107.5P318P318-I320 PolarHBondContact O-N 3.41Å
321S35.4Very low36Very low83 Ų83144.7 Ų144.758%0.5879%0.787SS**PPolyproline II helixtrans-59.8134.6-172-570000114
322T34.8Very low36.3Very low126 Ų126141.3 Ų141.377%0.77378%0.781SS**PPolyproline II helixtrans-71.5124165.3-34.60000109.3
323Y38.5Very low36.4Very low211 Ų211140.1 Ų140.183%0.82778%0.775SS**PPolyproline II helixtrans-99.1116.3163.4-71-78.8000109
324Q30.7Very low36.2Very low161 Ų161136.2 Ų136.275%0.75277%0.771SS**PPolyproline II helixtrans-78.3130.2166.4-73.6-81.3-20.800108.8
325L35.9Very low36.2Very low173 Ų173133.6 Ų133.691%0.90677%0.77SS**  trans-133.6106.6158-91.6164.7000108.6
326T32Very low36.3Very low117 Ų117133.8 Ų133.872%0.71877%0.768SS**  trans-76.3133.5171.350.40000110.7
327S35.6Very low36.1Very low107 Ų107131.7 Ų131.775%0.74876%0.762SS**  trans-178.3114131.2-115.90000113.5
328S33.3Very low35.7Very low117 Ų117130.3 Ų130.382%0.81876%0.76SS**  61.2117.9120.7-450000120.8
329A30.3Very low35Very low99 Ų99130.3 Ų130.382%0.81876%0.759SS**  trans-70.4142.5171.600000113.8
330V38Very low34.8Very low143 Ų143126.8 Ų126.887%0.86775%0.75SS**  trans-155.8121.8143.6-177.60000109.3
331T37.3Very low34.5Very low120 Ų120128.1 Ų128.174%0.73675%0.753SS**  trans-78.7157.4166.544.20000111.9
332P41.7Very low34.3Very low108 Ų108133.2 Ų133.270%0.70176%0.764SS**  -141.4129.5118.826.7-7.5000113.2
333N37.5Very low34.3Very low134 Ų134135.4 Ų135.472%0.71777%0.766SS**  74.4102.1104.7-52-7.3000113.5
334S32.5Very low33.9Very low101 Ų101131.2 Ų131.271%0.70676%0.762SS**  93.5125.982.8-63.20000112.9
335S34.1Very low34Very low107 Ų107132.5 Ų132.575%0.74877%0.765SS**  trans80.8138.3150.2-48.60000116.1
336T33.4Very low33.7Very low114 Ų114130.1 Ų130.170%0.69975%0.754SS**  cis-179.8159.5218.90000105.9
337T33.8Very low34Very low110 Ų110130 Ų13068%0.67576%0.755SS**  trans66.7107.614351.90000118.8
338L28.8Very low33.8Very low151 Ų151133.6 Ų133.679%0.79176%0.757SS**  90.8142.982.8-107.6126.6000113.7
339T33.6Very low33.7Very low111 Ų111133.1 Ų133.168%0.68175%0.754SS**  trans90.8100.9155.768.50000119.7
340T31Very low33.9Very low112 Ų112132.8 Ų132.869%0.68775%0.745SS**  32.3125.512154.80000118.4
341H36Very low33.8Very low185 Ų185133.6 Ų133.686%0.85675%0.745SS**  -172.6133.6112.1-99-74.8000111.3
342K31.7Very low33.3Very low190 Ų190138.4 Ų138.483%0.82675%0.75SS**  trans-54.1138.4167-68.7168.9171.9175.20110.3
343H35.2Very low33.1Very low173 Ų173140.3 Ų140.380%0.80175%0.753SS**  trans-152.8110140.5-115.7-75000111.3
344T29Very low32.6Very low123 Ų123140.2 Ų140.276%0.75575%0.753SS**  trans-50.1127.8156.4-59.80000110.2
345F34.1Very low32.7Very low187 Ų187142.5 Ų142.582%0.8276%0.763SS**  trans-151110.5148.1-98.9-76.1000110.1
346N28Very low32.4Very low123 Ų123142.7 Ų142.766%0.65876%0.764SS**  trans-101.4135.4160.2-176.73.9000106.3K348N346-K348 PolarHBondContact OD1-N 3.34Å
347P39.4Very low32.4Very low115 Ų115145.3 Ų145.375%0.74777%0.772SS**  trans-126.2112.7149.228.8-12.8000110.7
348K30.4Very low32.2Very low182 Ų182144.4 Ų144.479%0.79177%0.77SS**  trans-64.6134.1151-71.8173.5174.3174.20108.4N346N346-K348 PolarHBondContact OD1-N 3.34Å
349S32.3Very low32.4Very low108 Ų108144.9 Ų144.976%0.75577%0.772SS**  157.8148.2119.762.40000113
350S34.8Very low32.3Very low91 Ų91144.3 Ų144.364%0.63677%0.769SS**  trans84.891.6150.4-45.90000118
351N35.9Very low32.5Very low160 Ų160145.8 Ų145.886%0.85677%0.773SS**  172.3131.490-87.9-35.2000112.7
352R27.2Very low32.4Very low221 Ų221142.2 Ų142.283%0.83476%0.764SS**  trans-59.7150.7163.8-72.5175.6175-128.60.6110.2
353L36.2Very low32.6Very low149 Ų149140.5 Ų140.578%0.7876%0.764SS**  176.2111.2112.7-88.6162.1000111.5
354N27.8Very low32.2Very low132 Ų132139.2 Ų139.271%0.70676%0.762SS**  trans33.1127.8135.1-59.9-12.3000120.6
355T34.3Very low32.5Very low149 Ų149143.3 Ų143.391%0.91477%0.769SS**  -173.6119106.2250000111.6
356S27.5Very low32.4Very low111 Ų111139.2 Ų139.278%0.77676%0.76SS**  trans-120.3138.9168.854.20000108.1
357I33.7Very low32.4Very low168 Ų168139.8 Ų139.886%0.86276%0.762SS**  trans175.1142.9167.7-87.4142.3000105.6
358S29.1Very low31.9Very low92 Ų92140.6 Ų140.664%0.64376%0.76SS**  cis-172.2167.1-16.7-120.20000108.4
359L33.8Very low32Very low160 Ų160139.3 Ų139.384%0.83876%0.757SS**  trans146.985.9138.9-76.2160.2000109.8
360T31.5Very low32Very low100 Ų100141.8 Ų141.861%0.61376%0.761SS**  65.5114.480.765.40000117
361N35.2Very low31.6Very low142 Ų142142.5 Ų142.576%0.75976%0.762SS**  173.497.9115.9-84.8-8.4000110
362T33.5Very low31.4Very low110 Ų110141.5 Ų141.568%0.67576%0.756SS**  63.2116.493.360.60000113.4
363N36.3Very low31.3Very low154 Ų154135.8 Ų135.882%0.82475%0.75SS**  -150.5127.770.3-73.6-47.8000112.9
364I26.7Very low31.2Very low147 Ų147135.3 Ų135.375%0.75475%0.753SS**  trans-116.9130.3157-73.9-171.3000106.1
365F34.7Very low31.1Very low208 Ų208135.9 Ų135.991%0.91276%0.757SS**  trans-98.7107.7151.6-95.9-78.6000108
366T31.2Very low31.1Very low102 Ų102136.1 Ų136.163%0.62675%0.752SS**  trans-53.4173.9162.4-15.70000110.8
367L29.7Very low31.1Very low134 Ų134138.8 Ų138.870%0.70275%0.753SS**  cis-174.1122.211.2-163.650000101
368D28Very low30.8Very low133 Ų133140.2 Ų140.271%0.71175%0.749SS**  92.1153.890.3-147.57.1000114.7
369Q31.7Very low30.8Very low155 Ų155141.1 Ų141.172%0.72475%0.75SS**  trans77.1106166.2-46.5-161.970.300118.3
370L32.6Very low30.6Very low160 Ų160140.1 Ų140.184%0.83875%0.746SS**  178.5136.195.3-91.6161.8000111.7
371T27.8Very low30.4Very low106 Ų106142 Ų14265%0.6575%0.752SS**  trans-68.3170.7179.448.60000114.6
372N30.6Very low30.3Very low139 Ų139140.6 Ų140.674%0.74375%0.749SS**  trans104.499.9158.5-56.6-24.8000114.4
373S26.1Very low30.5Very low101 Ų101139.5 Ų139.571%0.70675%0.745SS**  68.1106.388.2-65.40000112
374T33.6Very low30.3Very low138 Ų138138.8 Ų138.885%0.84774%0.742SS**  168138.5108.234.40000111.9
375N26.5Very low30.9Very low145 Ų145139.1 Ų139.178%0.77574%0.743SS**  trans-23.7141.5158.3-65.8-38.2000115.4
376N32.8Very low31Very low153 Ų153134.6 Ų134.682%0.81873%0.733SS**  -164.5124.9113.4-93.4-22.9000111.6
377Q28.7Very low31.2Very low168 Ų168135.5 Ų135.579%0.78574%0.738SS**  trans-62.2171.4153.7-64.5-164.4-7.200110
378Y27.4Very low31.8Very low198 Ų198133.9 Ų133.978%0.77674%0.736SS**  trans137.3106.6152.1-77.5-76.3000112.9
379T28.7Very low32.4Very low110 Ų110135 Ų13568%0.67574%0.741SS**  73.1114.9128.457.70000121.5
380N28.3Very low32.9Very low140 Ų140132.3 Ų132.375%0.74974%0.737SS**  49139.7111.3-71.1-7.7000121.4
381N29Very low33Very low140 Ų140134.8 Ų134.875%0.74974%0.742SS**  trans107.9109.7143.3-68.9-15.3000117
382T32.2Very low33.4Very low112 Ų112136.4 Ų136.469%0.68775%0.746SS**  92.813188.6-46.90000108.3
383S36.9Very low33.9Very low86 Ų86134.6 Ų134.660%0.60174%0.742SS**  176.5150.874-33.90000112.4
384N34Very low34.3Very low140 Ų140135 Ų13575%0.74975%0.745SS**  trans80.8132.5138.2-61.7-9.7000117.8
385I37.8Very low34.7Very low153 Ų153133.7 Ų133.779%0.78574%0.739SS**  cis-165.4135.739.4-120.9148.6000112.4
386T38.2Very low35.2Very low113 Ų113133.7 Ų133.769%0.69374%0.744SS**  trans80.890.4138.2-47.80000124.2
387T35.4Very low35.3Very low121 Ų121132.2 Ų132.274%0.74274%0.741SS**  3.9175.8117.238.10000122.5
388P42.3Very low35.9Very low100 Ų100129.1 Ų129.165%0.64974%0.735SS**  cis-148.4176.3-37.640.3-21.3000116.8
389L40Very low36Very low156 Ų156126.4 Ų126.482%0.81773%0.732SS**  trans121.1133.7137.4-72.9171.9000120.9
390P41.4Very low36.4Very low100 Ų100128.3 Ų128.365%0.64973%0.733SS**  trans-112.1162.3-179.841.8-31.5000114.2
391F36.4Very low36.5Very low212 Ų212127.6 Ų127.693%0.9373%0.73SS**  trans-154.1132.5159.5-90.9-77.6000113.8
392N35.1Very low36.7Very low140 Ų140126.2 Ų126.275%0.74973%0.731SS**  trans-64.7-176.4162.8-152.420.9000110.3
393P40.9Very low36.7Very low100 Ų100128.2 Ų128.265%0.64973%0.732SS**  cis-149.4165.3844.8-23.1000120.6
394S35Very low36.7Very low109 Ų109131.8 Ų131.876%0.76274%0.744SS**  trans68.3160.7131.6-76.40000125.5
395P42.6Very low36.8Very low112 Ų112131.4 Ų131.473%0.72774%0.741SS**  trans-116.2168.2-148.942.7-31.4000115.7
396V37Very low37Very low145 Ų145128.9 Ų128.988%0.87973%0.734SS**  trans-149.1109.8167.8-178.60000111
397T34.5Very low37Very low122 Ų122132.9 Ų132.975%0.74874%0.744SS**  trans-74.2169.814750.30000107.7
398P39.9Very low36.9Very low103 Ų103135.4 Ų135.467%0.66975%0.748SS**  cis-156.3-162.536.528.32.7000114.9
399I31.5Very low36.7Very low140 Ų140137 Ų13772%0.71876%0.756SS**  trans115113.1139.1-64.5165.7000118.5
400H35.2Very low36.6Very low151 Ų151134.4 Ų134.470%0.69975%0.751SS**  trans78.9114.8144.7-87-135.6000120
401N30.9Very low36.4Very low125 Ų125137 Ų13767%0.66876%0.756SS**  73.9131.177.9-64.2-5000110
402S34.2Very low36.2Very low110 Ų110134 Ų13477%0.76975%0.75SS**  cis-166.1142.529-23.20000108.9
403H32.5Very low36.3Very low154 Ų154131.6 Ų131.671%0.71375%0.75SS**  trans-82.1136164.5171.7-76000109.8
404L35Very low36.1Very low162 Ų162132.5 Ų132.585%0.84876%0.758SS**  trans-140.894.6161.9-87.1167000106.5
405L37.1Very low36.3Very low132 Ų132132.4 Ų132.469%0.69176%0.755SS**  83.4141.990.8-113.984.6000115.4
406P42.3Very low36.1Very low99 Ų99134.3 Ų134.364%0.64377%0.765SS**  trans-114.9-177.1-15946.2-37.5000113.8
407H38.5Very low36Very low197 Ų197133.5 Ų133.591%0.91276%0.756SS**  trans-142.3130.1158.2-99.1-69.5000113.2
408Q33.4Very low35.9Very low174 Ų174135.1 Ų135.181%0.81376%0.755SS**  trans-85.9160.5168.4-68.4178.21700111.7
409T37.8Very low35.5Very low135 Ų135137.9 Ų137.983%0.82876%0.76SS**  trans-177.6114.4138.121.90000107.3
410S37.1Very low35.7Very low100 Ų100138.8 Ų138.870%0.69977%0.767SS**  60.4129.772.7164.20000112.9
411M37.1Very low35.4Very low156 Ų156139.2 Ų139.277%0.76877%0.774SS**  cis-171.7158.77.7-90.9-98.8-164.700109.1
412N33.3Very low35.5Very low147 Ų147142.5 Ų142.579%0.78678%0.783SS**  trans70.1121.3142.1-70.9-11.6000124.8
413A36.5Very low35.4Very low91 Ų91145.4 Ų145.475%0.75279%0.79SS**  159.6112.7113.600000108.9
414S36.1Very low35.3Very low119 Ų119145.5 Ų145.583%0.83279%0.791SS**  131.6162.378.6-95.70000109.5
415P40.7Very low35Very low107 Ų107146 Ų14670%0.69579%0.787SS**  trans-125.2168.8-130.941.5-29.7000117.2
416T36.9Very low34.8Very low151 Ų151148.4 Ų148.493%0.92679%0.791SS**  trans-146.3108.4153.3-30000111.7
417N36Very low34.4Very low129 Ų129150.6 Ų150.669%0.6979%0.792SS**  trans-81162.7166.1-89-36.4000108.8
418Q32.1Very low33.8Very low155 Ų155150.8 Ų150.872%0.72479%0.794SS**  cis-174.6169.512.3-120.9166.829.200109.9
419M31.3Very low33.7Very low161 Ų161148.6 Ų148.679%0.79379%0.787SS**  trans87.787.9160.3-67.9164.186.800118.5
420N35Very low33.3Very low159 Ų159150.9 Ų150.985%0.8579%0.788SS**  -179.287120.2-85.6-18.6000109.5
421N30.3Very low32.9Very low161 Ų161151.9 Ų151.986%0.86179%0.79SS**  trans-160.8103.3161.4-118.8-21.5000110
422F31.4Very low32.6Very low193 Ų193149.6 Ų149.685%0.84679%0.787SS**  trans-146.792.4160.3-111.2-84.1000106.5
423N33Very low32.5Very low171 Ų171148.7 Ų148.791%0.91478%0.782SS**  trans-159.674.9154.9-91.5-25.9000106.3
424E30.2Very low32.6Very low156 Ų156149.1 Ų149.173%0.72978%0.775SS**  trans-110.4145.7178.7-145.8-173.1175.500109
425F28.6Very low32.6Very low174 Ų174147.7 Ų147.776%0.76376%0.762SS**  trans74.2100.7164.2-79.3-83.8000120.2
426K32.8Very low32.4Very low181 Ų181146.5 Ų146.579%0.78775%0.75SS**  -17813098.9-105.4176.4173.7175.10114.5
427H33.7Very low32.3Very low145 Ų145145.1 Ų145.167%0.67173%0.732SS**  trans72.575.8153.9-69.9-57.5000120.3I429H427-I429 HydrophobicContact CB-CG1 4.41Å; H427-I429 PolarHBondContact O-N 3.35Å
428Q26.5Very low32.2Very low201 Ų201144.8 Ų144.894%0.93973%0.73SS**  trans-68.298.9143.1-162.9163.629.800109.1
429I32Very low32.1Very low129 Ų129145.6 Ų145.666%0.66273%0.727SS**  trans-109.9117.3165.1-66.7-178.7000107.8H427 T431H427-I429 HydrophobicContact CB-CG1 4.41Å; H427-I429 PolarHBondContact O-N 3.35Å; I429-T431 PolarHBondContact O-N 3.13Å; I429-T431 VanDerWaalsContact O-N 3.14Å
430Q28.2Very low32.3Very low182 Ų182144.3 Ų144.385%0.8572%0.716SS**  trans-44.7106170.1-16387.714.300112.3
431T30.2Very low32.3Very low121 Ų121139.8 Ų139.874%0.74270%0.698SS**  trans-94.6122.316952.70000110.6I429 N433I429-T431 PolarHBondContact O-N 3.13Å; I429-T431 VanDerWaalsContact O-N 3.14Å; T431-N433 PolarHBondContact O-N 2.86Å
432P30.6Very low32.7Very low109 Ų109135 Ų13571%0.70868%0.677SS**  trans-78.2124.217930.2-31000111.6T434P432-T434 PolarHBondContact O-N 3.23Å
433N30.5Very low33Very low127 Ų127129.6 Ų129.668%0.67966%0.662SS**  trans39.562138.1-108-24.7000118.1T431 N436T431-N433 PolarHBondContact O-N 2.86Å; N433-N436 PolarHBondContact OD1-ND2 3.22Å
434T37.6Very low33.7Very low101 Ų101126.2 Ų126.262%0.6264%0.643SS**  trans-104-12172.518.10000114.3P432 N436 Q437P432-T434 PolarHBondContact O-N 3.23Å; T434-N436 PolarHBondContact O-N 3.3Å; T434-Q437 PolarHBondContact O-N 3.48Å
435T36.3Very low34.7Very low89 Ų89123.1 Ų123.155%0.54663%0.631SS.*Hα-helixtrans-73.1-27178.8-26.90000113Q437 L438T435-Q437 VanDerWaalsContact C-N 3.3Å; T435-Q437 PolarHBondContact O-N 3.36Å; T435-L438 PolarHBondContact O-N 3.24Å
436N36.5Very low35.7Very low82 Ų82119.1 Ų119.144%0.43962%0.618SS.*Hα-helixtrans-76.8-7.7179-80.7-49000114.9N433 T434N433-N436 PolarHBondContact OD1-ND2 3.22Å; T434-N436 PolarHBondContact O-N 3.3Å
437Q34.7Very low37.2Very low121 Ų121114.4 Ų114.457%0.56560%0.604SS**Hα-helixtrans-97.4-20.8173.8-64.9-75.830.100112.4T434 T435T434-Q437 PolarHBondContact O-N 3.48Å; T435-Q437 VanDerWaalsContact C-N 3.3Å; T435-Q437 PolarHBondContact O-N 3.36Å
438L33.9Very low38.6Very low122 Ų122111.8 Ų111.864%0.63960%0.595SS**Hα-helixtrans-72.4-39.5175.2-90.5147000111.9T435 K440 S441 S442T435-L438 PolarHBondContact O-N 3.24Å; L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.82Å; L438-S441 PolarHBondContact O-N 3.11Å; L438-S441 VanDerWaalsContact O-N 3.15Å; L438-S442 PolarHBondContact O-N 2.99Å
439W31.5Very low40.3Very low173 Ų173108 Ų10866%0.65558%0.578SS**Hα-helixtrans-65.1-30.2174.8-67.6-20.2000113.5S441 S442 C443W439-S441 VanDerWaalsContact C-N 3.3Å; W439-S441 PolarHBondContact O-N 3.28Å; W439-S442 PolarHBondContact O-N 3.33Å; W439-C443 PolarHBondContact O-N 3.46Å; W439-C443 PolarHBondContact O-SG 3.21Å
440K34.2Very low41.6Very low133 Ų133103.7 Ų103.758%0.57856%0.557SS**Hα-helixtrans-69.4-27.7175-69.3-177.1-177.6179.90113L438L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.82Å
441S35.1Very low43.6Very low65 Ų6599.3 Ų99.346%0.45554%0.539SS..Hα-helixtrans-78.9-30.9173.9-67.60000112.6L438 W439 C443 I444 N445L438-S441 PolarHBondContact O-N 3.11Å; L438-S441 VanDerWaalsContact O-N 3.15Å; W439-S441 VanDerWaalsContact C-N 3.3Å; W439-S441 PolarHBondContact O-N 3.28Å; S441-C443 VanDerWaalsContact C-N 3.33Å; S441-C443 PolarHBondContact O-N 2.9Å; S441-I444 PolarHBondContact O-N 2.95Å; S441-N445 PolarHBondContact O-N 3.07Å; S441-N445 PolarHBondContact O-ND2 2.9Å
442S39.4Very low45.4Very low61 Ų6197.7 Ų97.743%0.42752%0.521SS..Hα-helixtrans-60.1-41.5176.2-160.50000112.1L438 W439 I444 N445 D446L438-S442 PolarHBondContact O-N 2.99Å; W439-S442 PolarHBondContact O-N 3.33Å; S442-I444 VanDerWaalsContact C-N 3.31Å; S442-I444 PolarHBondContact O-N 2.87Å; S442-N445 PolarHBondContact O-N 3.47Å; S442-D446 PolarHBondContact O-N 3.21Å; S442-D446 VanDerWaalsContact O-N 3.13Å
443C38.1Very low47.1Very low78 Ų7899 Ų9953%0.52751%0.513SS..Hα-helixtrans-66.5-30.7-179-51.90000113.6W439 S441 T447W439-C443 PolarHBondContact O-N 3.46Å; W439-C443 PolarHBondContact O-SG 3.21Å; S441-C443 VanDerWaalsContact C-N 3.33Å; S441-C443 PolarHBondContact O-N 2.9Å; C443-T447 PolarHBondContact O-N 3.3Å; C443-T447 PolarHBondContact O-OG1 3.34Å
444I46.7Very low49Very low101 Ų10197.5 Ų97.552%0.51850%0.504SS..Hα-helixtrans-76.4-38.9-179.8-62.2167000109.7S441 S442 T447 L448S441-I444 PolarHBondContact O-N 2.95Å; S442-I444 VanDerWaalsContact C-N 3.31Å; S442-I444 PolarHBondContact O-N 2.87Å; I444-T447 PolarHBondContact O-N 3.45Å; I444-L448 HydrophobicContact CG2-CD1 4.1Å; I444-L448 PolarHBondContact O-N 3.22Å
445N51.4Low50.4Low90 Ų9097.8 Ų97.848%0.48150%0.502SS..Hα-helixtrans-65-40.2176.9-66.5-20.6000111.9S441 S442 T447 L448 M449S441-N445 PolarHBondContact O-N 3.07Å; S441-N445 PolarHBondContact O-ND2 2.9Å; S442-N445 PolarHBondContact O-N 3.47Å; N445-T447 VanDerWaalsContact C-N 3.35Å; N445-T447 PolarHBondContact O-N 3.03Å; N445-L448 PolarHBondContact O-N 3.02Å; N445-M449 WeakPolarHBondContact O-CB 3.24Å; N445-M449 WeakPolarHBondContact O-CG 3.28Å; N445-M449 PolarHBondContact O-N 3.45Å
446D50.6Low52.3Low91 Ų9196.6 Ų96.649%0.48749%0.492SS..Hα-helixtrans-63.1-41.7177.3-67.4-25.5000111.7S442 M449 D450S442-D446 PolarHBondContact O-N 3.21Å; S442-D446 VanDerWaalsContact O-N 3.13Å; D446-M449 PolarHBondContact O-N 3.08Å; D446-D450 WeakPolarHBondContact O-CB 3.43Å; D446-D450 VanDerWaalsContact O-CG 3.29Å; D446-D450 PolarHBondContact O-N 3.31Å
447T63.7Low54.1Low81 Ų8196.2 Ų96.250%0.49749%0.488SS..Hα-helixtrans-69.4-38.1-179.7-44.60000111.9C443 I444 N445 L451C443-T447 PolarHBondContact O-N 3.3Å; C443-T447 PolarHBondContact O-OG1 3.34Å; I444-T447 PolarHBondContact O-N 3.45Å; N445-T447 VanDerWaalsContact C-N 3.35Å; N445-T447 PolarHBondContact O-N 3.03Å; T447-L451 HydrophobicContact CG2-CD1 4.47Å; T447-L451 WeakPolarHBondContact O-CB 3.25Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 3.48Å
448L62.8Low55.6Low90 Ų9095.2 Ų95.247%0.47148%0.484SS..Hα-helixtrans-69.4-39.9176-79.2169.1000112.1I444 N445 L451 F452I444-L448 HydrophobicContact CG2-CD1 4.1Å; I444-L448 PolarHBondContact O-N 3.22Å; N445-L448 PolarHBondContact O-N 3.02Å; L448-L451 PolarHBondContact O-N 3.15Å; L448-F452 WeakPolarHBondContact O-CB 3.23Å; L448-F452 PolarHBondContact O-N 3.42Å
449M63.6Low57.4Low122 Ų12294.1 Ų94.160%0.60148%0.478SS*.Hα-helixtrans-65.8-40.5173.9-75.1-66-86.900111.6N445 D446 F452 Y453N445-M449 WeakPolarHBondContact O-CB 3.24Å; N445-M449 WeakPolarHBondContact O-CG 3.28Å; N445-M449 PolarHBondContact O-N 3.45Å; D446-M449 PolarHBondContact O-N 3.08Å; M449-F452 PolarHBondContact O-N 3.43Å; M449-Y453 WeakPolarHBondContact O-CB 3.4Å; M449-Y453 PolarHBondContact O-N 3.33Å
450D59.2Low59.4Low39 Ų3990.1 Ų90.121%0.20947%0.469CS..Hα-helixtrans-59.8-47173.6-80.6-35.7000111.5N201 R204 D446 Y453 I454N201-D450 PolarHBondContact OD1-OD1 3.37Å; R204-D450 IonicContact CZ-OD1 2.73Å; R204-D450 IonicContact CZ-OD2 2.8Å; R204-D450 IonicContact NE-OD1 3.87Å; R204-D450 IonicContact NE-OD2 3.79Å; R204-D450 IonicContact NH2-OD1 2.94Å; R204-D450 PolarHBondContact NH2-OD1 3.36Å; R204-D450 IonicContact NH2-OD2 2.64Å; R204-D450 PolarHBondContact NH2-OD2 3.09Å; D446-D450 WeakPolarHBondContact O-CB 3.43Å; D446-D450 VanDerWaalsContact O-CG 3.29Å; D446-D450 PolarHBondContact O-N 3.31Å; D450-Y453 PolarHBondContact O-N 2.81Å; D450-I454 WeakPolarHBondContact O-CB 3.5Å; D450-I454 WeakPolarHBondContact O-CD1 3.48Å; D450-I454 WeakPolarHBondContact O-CG1 3.26Å; D450-I454 PolarHBondContact O-N 3.35Å
451L69Low60.8Low90 Ų9089.8 Ų89.847%0.47147%0.467SS..Hα-helixtrans-64.4-41.6177.6-79.1165.4000112.2T447 L448 I454 N455T447-L451 HydrophobicContact CG2-CD1 4.47Å; T447-L451 WeakPolarHBondContact O-CB 3.25Å; T447-L451 WeakPolarHBondContact O-CG 3.46Å; T447-L451 PolarHBondContact O-N 3.48Å; L448-L451 PolarHBondContact O-N 3.15Å; L451-I454 PolarHBondContact O-N 3.41Å; L451-N455 WeakPolarHBondContact O-CB 3.35Å; L451-N455 PolarHBondContact O-N 3.5Å
452F68.4Low62Low86 Ų8691.5 Ų91.538%0.37747%0.471SS..Hα-helixtrans-59.3-47.4175175.7-101000111.1F73 L448 M449 N455 L456F73-F452 HydrophobicContact CE1-CD2 4.33Å; F73-F452 AromaticContact CE1-CE2 3.99Å; F73-F452 HydrophobicContact CE1-CE2 3.99Å; F73-F452 HydrophobicContact CZ-CD2 4.28Å; F73-F452 HydrophobicContact CZ-CE2 4.01Å; L448-F452 WeakPolarHBondContact O-CB 3.23Å; L448-F452 PolarHBondContact O-N 3.42Å; M449-F452 PolarHBondContact O-N 3.43Å; F452-N455 PolarHBondContact O-N 3.28Å; F452-L456 HydrophobicContact CE1-CD2 4.22Å; F452-L456 HydrophobicContact CZ-CD2 4.47Å; F452-L456 WeakPolarHBondContact O-CB 3.29Å; F452-L456 PolarHBondContact O-N 2.95Å
453Y66.3Low62.8Low138 Ų13894.3 Ų94.354%0.54148%0.478SS..Hα-helixtrans-66.6-40.4-179.9-127.9-88.2000112.2M449 D450 L456 M457M449-Y453 WeakPolarHBondContact O-CB 3.4Å; M449-Y453 PolarHBondContact O-N 3.33Å; D450-Y453 PolarHBondContact O-N 2.81Å; Y453-L456 PolarHBondContact O-N 3.43Å; Y453-M457 HydrophobicContact CD1-CE 4.27Å; Y453-M457 HydrophobicContact CD1-CG 4.1Å; Y453-M457 HydrophobicContact CE1-CE 4Å; Y453-M457 WeakPolarHBondContact O-CB 3.3Å; Y453-M457 WeakPolarHBondContact O-CG 3.49Å; Y453-M457 PolarHBondContact O-N 3.48Å
454I70.5Confident63.5Low94 Ų9497.2 Ų97.248%0.48248%0.483SS..Hα-helixtrans-60.8-46.3175.6-70.7164.4000110.5D450 L451 M457 H458D450-I454 WeakPolarHBondContact O-CB 3.5Å; D450-I454 WeakPolarHBondContact O-CD1 3.48Å; D450-I454 WeakPolarHBondContact O-CG1 3.26Å; D450-I454 PolarHBondContact O-N 3.35Å; L451-I454 PolarHBondContact O-N 3.41Å; I454-M457 PolarHBondContact O-N 3.19Å; I454-H458 WeakPolarHBondContact O-CB 3.42Å; I454-H458 PolarHBondContact O-N 3.42Å
455N67.8Low63.5Low108 Ų10895.9 Ų95.958%0.57848%0.483SS*.Hα-helixtrans-66.3-41.4179.1-76.4-18.1000112L451 F452 M457 H458 L459L451-N455 WeakPolarHBondContact O-CB 3.35Å; L451-N455 PolarHBondContact O-N 3.5Å; F452-N455 PolarHBondContact O-N 3.28Å; N455-M457 PolarHBondContact O-N 3.29Å; N455-H458 PolarHBondContact O-N 3.44Å; N455-L459 WeakPolarHBondContact O-CB 3.39Å; N455-L459 PolarHBondContact O-N 3.5Å
456L75.9Confident63Low64 Ų6494.5 Ų94.534%0.33548%0.48SS..Hα-helixtrans-62.9-42.7176.3-173.165.2000111.5F452 Y453 L459 L460F452-L456 HydrophobicContact CE1-CD2 4.22Å; F452-L456 HydrophobicContact CZ-CD2 4.47Å; F452-L456 WeakPolarHBondContact O-CB 3.29Å; F452-L456 PolarHBondContact O-N 2.95Å; Y453-L456 PolarHBondContact O-N 3.43Å; L456-L459 PolarHBondContact O-N 3.24Å; L456-L460 HydrophobicContact CG-CD1 4.32Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.14Å; L456-L460 PolarHBondContact O-N 3.43Å
457M73.1Confident62.7Low74 Ų7494.4 Ų94.437%0.36548%0.482SS..Hα-helixtrans-68.6-35.1176.9-68.5-59.4109.200112.5Y453 I454 N455 L460 K461Y453-M457 HydrophobicContact CD1-CE 4.27Å; Y453-M457 HydrophobicContact CD1-CG 4.1Å; Y453-M457 HydrophobicContact CE1-CE 4Å; Y453-M457 WeakPolarHBondContact O-CB 3.3Å; Y453-M457 WeakPolarHBondContact O-CG 3.49Å; Y453-M457 PolarHBondContact O-N 3.48Å; I454-M457 PolarHBondContact O-N 3.19Å; N455-M457 PolarHBondContact O-N 3.29Å; M457-L460 HydrophobicContact CE-CD1 3.55Å; M457-L460 HydrophobicContact SD-CD1 4.4Å; M457-K461 WeakPolarHBondContact O-CB 3.28Å; M457-K461 WeakPolarHBondContact O-CG 3.31Å; M457-K461 PolarHBondContact O-N 3.5Å
458H66.2Low61.7Low100 Ų10096.1 Ų96.146%0.46349%0.485SS..Hα-helixtrans-64.6-42.8171.9-106-119.1000111.5I454 N455 K461 N462I454-H458 WeakPolarHBondContact O-CB 3.42Å; I454-H458 PolarHBondContact O-N 3.42Å; N455-H458 PolarHBondContact O-N 3.44Å; H458-K461 PolarHBondContact O-N 3.46Å; H458-N462 WeakPolarHBondContact O-CB 3.41Å; H458-N462 PolarHBondContact O-N 3.36Å; H458-N462 PolarHBondContact O-ND2 3.18Å
459L72.5Confident60.8Low99 Ų9995.2 Ų95.252%0.51848%0.483SS..Hα-helixtrans-63.6-43.1177.7-172.664.7000111.7N455 L456 N462 H463N455-L459 WeakPolarHBondContact O-CB 3.39Å; N455-L459 PolarHBondContact O-N 3.5Å; L456-L459 PolarHBondContact O-N 3.24Å; L459-N462 PolarHBondContact O-N 3.17Å; L459-H463 PolarHBondContact O-N 2.96Å
460L72Confident59.8Low88 Ų8893.6 Ų93.646%0.46148%0.477SS..Hα-helixtrans-66.6-39.8176.8-70171.3000112.5L456 M457 H463 H464L456-L460 HydrophobicContact CG-CD1 4.32Å; L456-L460 VanDerWaalsContact O-CG 3.3Å; L456-L460 WeakPolarHBondContact O-CG 3.14Å; L456-L460 PolarHBondContact O-N 3.43Å; M457-L460 HydrophobicContact CE-CD1 3.55Å; M457-L460 HydrophobicContact SD-CD1 4.4Å; L460-H463 PolarHBondContact O-N 3.45Å; L460-H464 PolarHBondContact O-N 3.46Å; L460-H464 VanDerWaalsContact O-N 3.16Å
461K64Low59.1Low127 Ų12798.6 Ų98.655%0.55250%0.501SS*.Hα-helixtrans-65.2-40.7175-81-175.7171.7-173.10112.1M457 H458 H464 S465M457-K461 WeakPolarHBondContact O-CB 3.28Å; M457-K461 WeakPolarHBondContact O-CG 3.31Å; M457-K461 PolarHBondContact O-N 3.5Å; H458-K461 PolarHBondContact O-N 3.46Å; K461-H464 PolarHBondContact O-N 2.94Å; K461-S465 PolarHBondContact O-N 3.41Å; K461-S465 VanDerWaalsContact O-N 3.11Å
462N61.9Low57.9Low101 Ų101100.2 Ų100.254%0.5451%0.51SS..Hα-helixtrans-67.7-36.4177.6-69.7-13.5000112.2H458 L459 H464 S465 S466H458-N462 WeakPolarHBondContact O-CB 3.41Å; H458-N462 PolarHBondContact O-N 3.36Å; H458-N462 PolarHBondContact O-ND2 3.18Å; L459-N462 PolarHBondContact O-N 3.17Å; N462-H464 VanDerWaalsContact C-N 3.35Å; N462-S465 PolarHBondContact O-N 3.43Å; N462-S466 WeakPolarHBondContact O-CB 3.5Å; N462-S466 PolarHBondContact O-N 2.92Å
463H56.1Low56.6Low120 Ų120101.9 Ų101.956%0.55652%0.523SS*.Hα-helixtrans-63.5-38.8173.1-101.6-74.7000112.5L459 L460 S466 V467L459-H463 PolarHBondContact O-N 2.96Å; L460-H463 PolarHBondContact O-N 3.45Å; H463-S466 PolarHBondContact O-N 3.08Å; H463-V467 WeakPolarHBondContact O-CG2 3.42Å; H463-V467 PolarHBondContact O-N 3.21Å
464H51.9Low55.3Low138 Ų138100.9 Ų100.964%0.63953%0.531SS*.Hα-helixtrans-67.1-36.9175.3-93.3-79.2000112.9L460 K461 N462 Q468L460-H464 PolarHBondContact O-N 3.46Å; L460-H464 VanDerWaalsContact O-N 3.16Å; K461-H464 PolarHBondContact O-N 2.94Å; N462-H464 VanDerWaalsContact C-N 3.35Å; H464-Q468 PolarHBondContact O-N 3.45Å
465S46.9Very low53.5Low73 Ų73101.7 Ų101.751%0.5154%0.544SS..Hα-helixtrans-69.8-38.5173.6-79.90000113K461 N462 V467 Q468 T469K461-S465 PolarHBondContact O-N 3.41Å; K461-S465 VanDerWaalsContact O-N 3.11Å; N462-S465 PolarHBondContact O-N 3.43Å; S465-V467 VanDerWaalsContact C-N 3.33Å; S465-V467 PolarHBondContact O-N 3.05Å; S465-Q468 PolarHBondContact O-N 3.17Å; S465-T469 PolarHBondContact O-N 3.23Å; S465-T469 PolarHBondContact O-OG1 3.43Å
466S41.1Very low51.9Low61 Ų61102.1 Ų102.143%0.42755%0.551SS.*Hα-helixtrans-68.5-30179.7-164.40000113.1N462 H463 T469N462-S466 WeakPolarHBondContact O-CB 3.5Å; N462-S466 PolarHBondContact O-N 2.92Å; H463-S466 PolarHBondContact O-N 3.08Å; S466-T469 PolarHBondContact O-OG1 3.06Å
467V44.2Very low49.7Very low89 Ų89103.7 Ų103.754%0.53957%0.567SS.*Hα-helixtrans-79.4-21.7175.9176.90000111.9H463 S465H463-V467 WeakPolarHBondContact O-CG2 3.42Å; H463-V467 PolarHBondContact O-N 3.21Å; S465-V467 VanDerWaalsContact C-N 3.33Å; S465-V467 PolarHBondContact O-N 3.05Å
468Q42.3Very low47.8Very low117 Ų117108.3 Ų108.355%0.54759%0.593SS.*Hα-helixtrans-87.4-25.6175.6-84.4176.2-46.600113.8H464 S465 N472H464-Q468 PolarHBondContact O-N 3.45Å; S465-Q468 PolarHBondContact O-N 3.17Å; Q468-N472 PolarHBondContact O-ND2 3.31Å
469T44.7Very low46.3Very low72 Ų72112.5 Ų112.544%0.44261%0.613SS.*Hα-helixtrans-74-38.4174.147.50000112S465 S466 M471 N472 D473S465-T469 PolarHBondContact O-N 3.23Å; S465-T469 PolarHBondContact O-OG1 3.43Å; S466-T469 PolarHBondContact O-OG1 3.06Å; T469-M471 VanDerWaalsContact C-N 3.27Å; T469-M471 PolarHBondContact O-N 3.14Å; T469-N472 PolarHBondContact O-N 3.43Å; T469-N472 VanDerWaalsContact O-N 3.15Å; T469-D473 PolarHBondContact O-N 3.24Å
470D41.5Very low44.4Very low87 Ų87113.3 Ų113.347%0.46563%0.627SS.*Hα-helixtrans-71.7-20.2-178-67.7-5.5000113.3T474D470-T474 PolarHBondContact O-OG1 3.43Å
471M44.8Very low42.5Very low145 Ų145117.3 Ų117.371%0.71465%0.648SS**Hα-helixtrans-84.6-17.9173.6-66.5-140.2177.300113.9T469T469-M471 VanDerWaalsContact C-N 3.27Å; T469-M471 PolarHBondContact O-N 3.14Å
472N44.2Very low41Very low124 Ų124119.2 Ų119.266%0.66366%0.663SS**Hα-helixtrans-89.3-18.6176.9-72.7-19.5000112.8Q468 T469Q468-N472 PolarHBondContact O-ND2 3.31Å; T469-N472 PolarHBondContact O-N 3.43Å; T469-N472 VanDerWaalsContact O-N 3.15Å
473D40.8Very low39.6Very low120 Ų120122.1 Ų122.164%0.64268%0.678SS**SBendtrans-92.2-3.7176.2-69.6-29.3000113.6T469T469-D473 PolarHBondContact O-N 3.24Å
474T39.2Very low38.8Very low118 Ų118121.7 Ų121.772%0.72468%0.683SS**SBendtrans-98.68.4178.2-47.40000113D470D470-T474 PolarHBondContact O-OG1 3.43Å
475C32.1Very low37.9Very low110 Ų110120.5 Ų120.574%0.74369%0.688SS**SBendtrans-128.237.7-179.6-159.30000112.6
476T34.5Very low37.4Very low117 Ų117125.8 Ų125.872%0.71871%0.705SS**SBendtrans-150.461.4171.458.70000111.1
477S30.6Very low36.9Very low98 Ų98128.1 Ų128.169%0.68572%0.721SS**  trans-159.977.5170.6610000110.9
478D31.9Very low36.3Very low170 Ų170130.4 Ų130.491%0.90974%0.735SS**  trans-161.662.4162-97.5-23.8000109.9
479E34.3Very low36Very low188 Ų188128.7 Ų128.788%0.87974%0.741SS**SBendtrans-163.396.8156.1-136-171.216300109.3
480S33.5Very low35.4Very low116 Ų116130 Ų13081%0.81175%0.753SS**  trans156.783.4151.6-75.50000110.1
481L31.1Very low35Very low173 Ų173133.4 Ų133.491%0.90677%0.771SS**  trans-164.287.5150.7-84.2-164.8000109.9
482L32.7Very low34.4Very low166 Ų166132 Ų13287%0.86977%0.771SS**  trans-160.5105.5148.5-89.1-170.4000109.1
483L34Very low34Very low163 Ų163134.7 Ų134.785%0.85378%0.779SS**  166.396.1124.6-88.8148.1000112.4
484V38.8Very low33.5Very low110 Ų110135.3 Ų135.367%0.66779%0.787SS**  trans48.6124131.7-171.70000120.2
485P32.8Very low33.3Very low114 Ų114135.3 Ų135.374%0.7479%0.787SS**  trans-98.4139169.536.1-26.8000112.3
486H36.2Very low33.4Very low184 Ų184136.7 Ų136.785%0.85279%0.787SS**  trans-130119158.4-83.6-54.4000111.1
487S30.4Very low33.3Very low109 Ų109137 Ų13776%0.76279%0.789SS**  trans-61.5153.5168.4-47.60000111.5
488T32.9Very low33.5Very low137 Ų137138.7 Ų138.784%0.8480%0.796SS**  161.2144.499.1-39.80000110.5
489A34.8Very low33.7Very low82 Ų82135.9 Ų135.968%0.67879%0.785SS**  trans83.996.815200000120.3
490S31.4Very low33.9Very low99 Ų99133.5 Ų133.569%0.69278%0.784SS**  14.8125.4125.759.50000119.4
491N34.4Very low34.1Very low159 Ų159134.2 Ų134.285%0.8578%0.778SS**  -173.9149.4108.3-96.1-19.9000113.6
492T32.2Very low34.6Very low115 Ų115132 Ų13271%0.70677%0.767SS**  trans-77.8161.9-170.746.90000115.6
493H36.4Very low35Very low180 Ų180130.2 Ų130.283%0.83376%0.759SS**  trans80.3112.3151-84.6-66.1000120.1
494T29.9Very low35.4Very low133 Ų133128.7 Ų128.782%0.81675%0.751SS**  trans-89133.5154.71.10000110.4
495T34.2Very low35.5Very low118 Ų118130.2 Ų130.272%0.72476%0.756SS**  trans-153137.9145.811.40000111.9
496N34.4Very low35.7Very low139 Ų139129.5 Ų129.574%0.74375%0.749SS**  trans92.493.8150.8-57.3-11.1000120
497T33.2Very low36Very low123 Ų123128.3 Ų128.376%0.75574%0.744SS**  33.3130.3117.2-19.30000119.3
498T35Very low36.4Very low134 Ų134129.4 Ų129.482%0.82274%0.741SS**  -176.7126.4114.9-65.50000112.9
499T34.3Very low36.7Very low111 Ų111128.9 Ų128.968%0.68174%0.738SS**  trans-20.9144157.8-37.90000121.3
500T38.4Very low36.9Very low139 Ų139129.1 Ų129.185%0.85374%0.74SS**  165.7158.5126.1250000110.3
501N38.8Very low37.3Very low130 Ų130130 Ų13070%0.69574%0.741SS**  cis-171.3168.5-46-167.212.1000105.2
502N40.9Very low37.5Very low128 Ų128127.6 Ų127.668%0.68473%0.733SS**  trans89141.5164.6-61.6-12.6000118.5
503N41.8Very low37.7Very low128 Ų128129 Ų12968%0.68474%0.736SS**  cis-179.8161.6-25.2-118.7-6.8000107.6
504N42.4Very low37.8Very low131 Ų131127.1 Ų127.170%0.70174%0.737SS**  trans108101.3151.5-61.9-20000120.7
505N39.9Very low38.1Very low142 Ų142127.8 Ų127.876%0.75974%0.736SS**  67.8144113.8-83.74.6000121.5
506T38.8Very low38.2Very low99 Ų99128 Ų12861%0.60774%0.737SS**  cis179.4164.4-18.414.20000107.5
507H42.2Very low38.4Very low159 Ų159127 Ų12774%0.73674%0.736SS**  trans104.4103162.2-67.2-48.5000117
508N38.8Very low38.6Very low132 Ų132126.4 Ų126.471%0.70674%0.737SS**  75.9132.875.8-71.10.2000111.3
509T39.3Very low38.5Very low125 Ų125127.2 Ų127.277%0.76774%0.736SS**  cis-173.4135.724.4-2.70000107.6
510A38Very low38.7Very low88 Ų88128.7 Ų128.773%0.72775%0.745SS**  51.4141.6111.100000117.3
511T39.2Very low38.5Very low116 Ų116127.3 Ų127.371%0.71274%0.737SS**  cis-17715535.4-28.70000112.4
512T39.1Very low38.5Very low110 Ų110128.7 Ų128.768%0.67574%0.739SS**  trans66.9117.2142.740.20000121.8
513N36.4Very low38.3Very low144 Ų144128 Ų12877%0.7774%0.739SS**  75122.672.5-72.7-9.4000115
514T38.9Very low38.1Very low140 Ų140127.4 Ų127.486%0.85974%0.74SS**  171.6157.2104.944.70000114.2
515N35.8Very low37.8Very low148 Ų148127.9 Ų127.979%0.79174%0.743SS**  trans-74.6174.4-167.6-57.3-49.3000115.7
516T37.1Very low37.6Very low122 Ų122127.1 Ų127.175%0.74874%0.744SS**  159.4117.3100.1-43.60000113.8
517T37.6Very low37.5Very low119 Ų119133.9 Ų133.973%0.7376%0.758SS**  trans25.2139.1132.5-26.30000119.8
518S38.3Very low37.2Very low109 Ų109133.7 Ų133.776%0.76276%0.761SS**  175.915370.3-430000114.1
519N32.8Very low37.3Very low151 Ų151132.4 Ų132.481%0.80776%0.76SS**  trans-63.3160.7176-56.8-35.3000116.5
520T37.7Very low37.3Very low143 Ų143131.6 Ų131.688%0.87775%0.754SS**  -176.1158112.45.40000115.2
521T35Very low37.3Very low109 Ų109132.8 Ų132.867%0.66976%0.757SS**  trans-92.3166.7-164.839.70000116.8
522H39Very low37.1Very low160 Ų160133.6 Ų133.674%0.74176%0.756SS**  trans156111133.4-86.2-65.2000113.1
523T35.3Very low37.1Very low112 Ų112133.7 Ų133.769%0.68776%0.758SS**  53.9128.910360.90000114.9
524T38.1Very low37.1Very low116 Ų116133.7 Ų133.771%0.71276%0.757SS**  cis175.5159.846.90.70000110.9
525N36.7Very low37.1Very low141 Ų141132.8 Ų132.875%0.75475%0.751SS**  trans89.5107141.9-75.4-13.3000124.9
526T36.2Very low37Very low127 Ų127132.3 Ų132.378%0.77975%0.749SS**  65.6120.3122.1-2.20000123.4
527R37.2Very low37.2Very low240 Ų240136 Ų13691%0.90676%0.757SS**  132.4121.9122.4-156.4173.7-170.31772115.3
528I35.7Very low37.3Very low156 Ų156139.9 Ų139.980%0.876%0.764SS**  trans-73.3-178.7174.8-7.9-179.9000111.6
529P40.7Very low37.3Very low105 Ų105139.6 Ų139.668%0.68276%0.759SS**  cis-147.1-173.8-10.829.4-2.6000117.8
530V38.7Very low37.5Very low107 Ų107139.5 Ų139.565%0.64876%0.764SS**  trans85.4115.3149.9-152.90000121
531S38.1Very low37.2Very low113 Ų113139.7 Ų139.779%0.7976%0.76SS**  162.3132.8116.4-65.10000113.5
532I35.3Very low37.1Very low134 Ų134140.6 Ų140.669%0.68777%0.769SS**  trans-107.7154.6175-45.4166.4000107.7
533P39.1Very low36.9Very low112 Ų112141.2 Ų141.273%0.72777%0.772SS**  -148.9143.688.428.4-4.3000115.8
534I35.2Very low36.7Very low144 Ų144143.6 Ų143.674%0.73878%0.775SS**  65.7122.797.7-49.4168.4000117
535T38.8Very low36.5Very low120 Ų120143.9 Ų143.974%0.73678%0.777SS**  trans158.5109.3130.545.30000110.4
536D35.7Very low36.1Very low138 Ų138144 Ų14474%0.73878%0.777SS**  88116.8101.7-80.2-38000115.8
537H40.4Very low36Very low199 Ų199143 Ų14392%0.92178%0.776SS**  177.7148.4123.5-91.3-64.8000111.9
538K39.3Very low35.6Very low201 Ų201137.5 Ų137.587%0.87477%0.773SS**  trans-103.3-171.9-152.2-124.4-160.6176.5-179.20112.3
539P39.1Very low35.4Very low103 Ų103136.5 Ų136.567%0.66978%0.779SS**  trans-119.7179.2-134.443.4-26.5000114.8
540V36.3Very low34.8Very low149 Ų149136.6 Ų136.690%0.90378%0.782SS**  trans-155.8135.2151.9-1750000111.8
541D31.4Very low34.4Very low148 Ų148136.3 Ų136.379%0.79179%0.785SS**  trans-67.7160.6176.2-71.2-59.7000116.4
542C33.6Very low34.3Very low128 Ų128138.9 Ų138.987%0.86579%0.789SS**  trans-172.7102135.2-94.30000113.3
543Q34.1Very low34.2Very low172 Ų172139 Ų13980%0.80479%0.791SS**  trans24.9131.5135.6-61.4-172.1-9.500124
544H30.4Very low33.9Very low162 Ų162138.7 Ų138.775%0.7579%0.789SS**  trans55.2119.5134.3-70.184000120.8
545V34.6Very low33.9Very low123 Ų123138.4 Ų138.475%0.74579%0.794SS**  174.3132.994.2-83.90000113
546N28.7Very low33.6Very low144 Ų144141.6 Ų141.677%0.7780%0.798SS**  trans59.3136.5137.3-61.7-13.6000124
547S33.1Very low33.5Very low106 Ų106143.1 Ų143.174%0.74181%0.805SS**  trans105.499.2141.1-52.30000117.7
548S28.9Very low33.2Very low123 Ų123142.1 Ų142.186%0.8680%0.798SS**  31.5121128.3-45.90000119.2
549C31.3Very low32.8Very low135 Ų135136.9 Ų136.991%0.91279%0.786SS**  -169.1140.3119.5-152.70000112.3
550S29.7Very low32.6Very low108 Ų108141.3 Ų141.376%0.75580%0.798SS**  trans-73.4163.9-177.4-48.90000114.9
551S29.4Very low32.4Very low101 Ų101139.1 Ų139.171%0.70679%0.787SS**  trans77.2108.2139.3-165.90000119.5
552L35.4Very low32.3Very low166 Ų166140.2 Ų140.287%0.86979%0.792SS**  trans-145.198.3148.6-83.2175.4000110.9
553D33.7Very low32.2Very low136 Ų136138.9 Ų138.973%0.72778%0.784SS**  trans40.7145.8135.3-66.4-35.1000125.5
554P33Very low32.2Very low106 Ų106138.2 Ų138.269%0.68879%0.786SS**  trans-93.8141.3-176.637.7-31.9000113.5
555V35.3Very low32.1Very low139 Ų139139.8 Ų139.884%0.84279%0.793SS**  trans-90.5105.1170.2178.20000110
556F32Very low32Very low187 Ų187142.4 Ų142.482%0.8280%0.797SS**  trans-72.1120.1161-103.2-92.5000109.7
557L34.5Very low31.8Very low169 Ų169140.5 Ų140.589%0.88580%0.795SS**  trans-105.7118.3158-87.8167.3000108.8
558K32.6Very low31.8Very low179 Ų179141.5 Ų141.578%0.77880%0.796SS**  trans-104133.6-179.9-170.9142.7179.3172.30110.6
559S32.4Very low31.6Very low90 Ų90143.2 Ų143.263%0.62980%0.796SS**  trans65.4118.8146.462.40000121.2
560H33.8Very low31.6Very low196 Ų196142.6 Ų142.691%0.90779%0.788SS**  trans-124.9129.5131.9-83.5-74.7000108.9
561P32.7Very low31.5Very low104 Ų104142.5 Ų142.568%0.67579%0.787SS**  trans-100.6168.216736.3-27.3000111.7
562L29.6Very low31.5Very low171 Ų171147.1 Ų147.190%0.89580%0.795SS**  trans90.1108.4169.6-51.4168000116
563S31.6Very low31.2Very low99 Ų99146.5 Ų146.569%0.69279%0.792SS**  166.713495.3-167.40000112.7
564N33.1Very low31.1Very low158 Ų158145.7 Ų145.785%0.84579%0.792SS**  trans79.4107.9154.8-64.5-13.9000121.3
565Q28.4Very low31.1Very low196 Ų196147.3 Ų147.392%0.91679%0.794SS**  trans-58133.4166.5-64168.1-24.100112.3
566H31.9Very low30.7Very low177 Ų177147.7 Ų147.782%0.81979%0.791SS**  trans-145.5121.7143.6-146.4-74.9000108.8
567S26Very low30.6Very low105 Ų105146.4 Ų146.473%0.73479%0.792SS**  trans-75.9127.4178.235.30000110
568V32.7Very low30.6Very low126 Ų126145.6 Ų145.676%0.76479%0.787SS**  trans-124104.2163.1-167.40000107.6V570V568-V570 PolarHBondContact O-N 3.47Å
569N25.1Very low30.5Very low159 Ų159143.6 Ų143.685%0.8579%0.785SS**  trans-55123.3168.1-83.5-42.2000110.2
570V30.3Very low30.5Very low122 Ų122148.1 Ų148.174%0.73980%0.795SS**  trans-131.8109.7151.3-172.40000108V568 F572V568-V570 PolarHBondContact O-N 3.47Å; V570-F572 PolarHBondContact O-N 3.1Å
571S28.5Very low30.5Very low107 Ų107150.3 Ų150.375%0.74880%0.796SS**  trans-57.9119.5179.620.40000112.4
572F29.2Very low30.5Very low197 Ų197153.1 Ų153.186%0.86480%0.804SS**  trans-88.496.4160.7-92.5-91.5000108.9V570 V574V570-F572 PolarHBondContact O-N 3.1Å; F572-V574 HydrophobicContact CD1-CG2 4.42Å; F572-V574 PolarHBondContact O-N 2.93Å
573N29.2Very low30.6Very low153 Ų153152.7 Ų152.782%0.81880%0.803SS**  trans-81.991.9157.8-90.4-19000107.9
574V31.9Very low30.8Very low119 Ų119156.9 Ų156.972%0.72181%0.811SS**  trans-114.2103.1154.4178.50000105.8F572 N576F572-V574 HydrophobicContact CD1-CG2 4.42Å; F572-V574 PolarHBondContact O-N 2.93Å; V574-N576 PolarHBondContact O-N 3.36Å
575I31.6Very low30.9Very low141 Ų141158.6 Ų158.672%0.72381%0.814SS**  trans-60116.1174-71.7170000107.8L577I575-L577 HydrophobicContact CG2-CB 4.48Å; I575-L577 PolarHBondContact O-N 3.33Å
576N27.9Very low31.2Very low146 Ų146153.8 Ų153.878%0.78180%0.802SS**  trans-55.6118.1155.3-85.7-27000108.5V574V574-N576 PolarHBondContact O-N 3.36Å
577L30.7Very low31.4Very low161 Ų161152.7 Ų152.784%0.84380%0.802SS**  trans-140.467.6155.6-144.876.6000108.6I575I575-L577 HydrophobicContact CG2-CB 4.48Å; I575-L577 PolarHBondContact O-N 3.33Å
578I33.5Very low32.1Very low152 Ų152152.8 Ų152.878%0.77981%0.809SS**  trans-101.6133.8156.4-66172.7000105.5
579D30.5Very low32.6Very low137 Ų137153.9 Ų153.973%0.73381%0.811SS**  trans69.795.3170.2-86.7-20.3000120.2
580H33Very low33.4Very low185 Ų185153.8 Ų153.886%0.85681%0.805SS**  trans-15392.5139.2-90.9-62.1000108.9
581R32.5Very low34Very low241 Ų241155.9 Ų155.991%0.90981%0.812SS**SBendtrans-175.127.1147.3-107.9172.4179.3-114.3-3118.3
582L33.5Very low34.4Very low163 Ų163158.3 Ų158.385%0.85381%0.811SS**SBendtrans-130.895165.9-72.6170.4000109.2
583N32.5Very low35Very low163 Ų163157.6 Ų157.687%0.87281%0.81SS**  trans169.989.3152.9-89.6-10.2000109.4
584H36Very low35.4Very low186 Ų186157.4 Ų157.486%0.86181%0.805SS**  trans-147.371.9159.1-102.3-55.4000108.1
585H33.6Very low35.9Very low194 Ų194161 Ų16190%0.89881%0.807SS**  trans-153.289163.8-95.8-8.4000109.7
586S36.3Very low36.7Very low95 Ų95160.3 Ų160.366%0.66480%0.804SS**  trans172122169.552.90000103.2
587D34.7Very low37.5Very low154 Ų154158.3 Ų158.382%0.82480%0.799SS**  cis-160.4141.219.3-65.4-56.4000105.7
588A41.8Very low38.1Very low108 Ų108158 Ų15889%0.89380%0.798SS**  trans-15785.8164.600000109.5
589D42.4Very low39Very low148 Ų148157 Ų15779%0.79180%0.801SS**  trans-76.1142.2165.5-85.9-43.3000111.1
590H42.7Very low39.8Very low158 Ų158158.2 Ų158.273%0.73181%0.808SS**  trans57.9111.7150.7-70.4-2.2000119.5
591D41.4Very low40.9Very low165 Ų165154.3 Ų154.388%0.88280%0.799SS**  -162.6145100.6-100.3-30.7000113.2
592Q37.7Very low41.7Very low159 Ų159149.6 Ų149.674%0.74379%0.792SS**  trans-81.4151.8-171.2-66.5170.4-16.500113.2
593H41.8Very low42.6Very low181 Ų181148 Ų14884%0.83878%0.783SS**  trans163.497135.9-89.9-63.8000107.8
594Q38.2Very low43.5Very low150 Ų150147.2 Ų147.270%0.70178%0.779SS**  75.2132.974.4-158.684.32800113.9
595Y42.2Very low44.2Very low195 Ų195144.9 Ų144.977%0.76577%0.773SS**  trans91.4128.1172.2-73.3-93.5000116.4
596D47.6Very low45.4Very low126 Ų126144.7 Ų144.767%0.67477%0.772SS**  cis-171.5160-13.5-110.2-1.2000106.8
597P45.2Very low46.2Very low103 Ų103146.6 Ų146.667%0.66978%0.775SS**  trans-103.8147.6-169.636.6-28.4000116.2
598D43.8Very low47.3Very low155 Ų155147.2 Ų147.283%0.82978%0.778SS**  trans55.1145.7156.1-54.1-29.2000120.5
599P51.2Low47.8Very low130 Ų130149.3 Ų149.384%0.84477%0.774SS**  -150.8169.883.236.7-14.6000117.8
600D48.5Very low48.4Very low164 Ų164153.6 Ų153.688%0.87778%0.781SS**  trans-55.4174.6-177.1-100.5-24.2000119.2
601P55.1Low48.7Very low102 Ų102153.9 Ų153.966%0.66279%0.788SS**  trans-97.6163.2-155.639.9-35.8000114.3
602D49.2Very low49.1Very low142 Ų142149.7 Ų149.776%0.75978%0.783SS**  trans-169.4132.8154.7-96.8-27.6000111.7
603I52Low49.3Very low131 Ų131149.5 Ų149.567%0.67279%0.788SS**  trans69.5120133.4-59.1168.6000116.3
604D52.2Low49.8Very low146 Ų146147.6 Ų147.678%0.78179%0.789SS**  -172.6154.673.9-109.7-39.6000112
605D50.5Low50.1Low136 Ų136147.8 Ų147.873%0.72779%0.794SS**  trans-60.7153.3177.3-60.6-63.7000115.3
606H60.2Low50.4Low190 Ų190146.4 Ų146.488%0.8880%0.8SS**  -172.5116.5126.5-104.8-55.7000112.6
607D51.2Low50.1Low136 Ų136148.3 Ų148.373%0.72781%0.805SS**  trans-61.6151.3161.8-60.2-57.9000111.6
608D58.6Low49.8Very low167 Ų167147 Ų14789%0.89381%0.81SS**  trans-168113.8140.3-88.1-31.5000110.3
609D51.4Low49.7Very low152 Ų152145 Ų14581%0.81380%0.803SS**  trans-63.4146.4171.9-65.8-55.7000112.6
610Y57Low49.3Very low238 Ų238143.9 Ų143.993%0.93379%0.794SS**  trans-157.8106.9146.2-119-82000111.3
611D48.9Very low48.8Very low163 Ų163142.2 Ų142.287%0.87279%0.785SS**  trans-71.4151.3164.4-87.9-38.9000111.4
612G48.1Very low48.1Very low77 Ų77144.7 Ų144.779%0.79479%0.792SS**  trans-176.382.6173.400000113.7
613D43.1Very low47.3Very low155 Ų155141.8 Ų141.883%0.82980%0.796SS**  trans-60.1136.2162.2-63.3-52.5000111.5
614V52.7Low46.5Very low142 Ų142139.4 Ų139.486%0.86180%0.804SS**  trans-157.4119.7143.5-175.60000110
615D44.6Very low45.6Very low154 Ų154141.3 Ų141.382%0.82481%0.808SS**  trans-69139.4164.5-51.7-65.2000111.4
616D48.8Very low44.9Very low165 Ų165141.8 Ų141.888%0.88282%0.816SS**  trans-157.6140.4143.2-143.9-5.3000114.2
617E40.2Very low43.7Very low167 Ų167138.2 Ų138.278%0.7881%0.813SS**  trans-72.5149179.5-83.3-93.7167.800112.1
618G39.5Very low42.7Very low74 Ų74141.1 Ų141.176%0.76382%0.818SS**  trans-161.769.1-176.100000114.4
619V40.3Very low41.5Very low114 Ų114140.9 Ų140.969%0.69182%0.817SS**  trans-41.4143.9154.4-159.60000108.7
620V43.5Very low40.5Very low107 Ų107139.7 Ų139.765%0.64882%0.815SS**  178.9147.862.1-138.10000109.9
621N38.8Very low39.4Very low129 Ų129133.6 Ų133.669%0.6980%0.802SS**  trans66.6115.6137.7-71-8000122.3
622N38.7Very low38.4Very low153 Ų153130.9 Ų130.982%0.81880%0.796SS**  154133.881-103.4-19.5000113.5
623G33.6Very low37.7Very low82 Ų82133.6 Ų133.685%0.84580%0.797SS**  trans95.2107.4133.500000119.3
624G34.8Very low36.9Very low80 Ų80131.9 Ų131.983%0.82579%0.792SS**  trans158.465.9157.400000116.9
625Q33.1Very low35.8Very low187 Ų187133.5 Ų133.587%0.87479%0.788SS**  trans-66143.1158.5-70.5177.8-19.400108.8
626T36.4Very low35.1Very low145 Ų145131.4 Ų131.489%0.8978%0.781SS**  -157157.7100.944.30000114.8
627S34.7Very low34.1Very low116 Ų116129.8 Ų129.881%0.81178%0.777SS**  trans-73159.9-159.4-55.60000119.1
628K31.1Very low33.8Very low196 Ų196129.9 Ų129.985%0.85278%0.783SS**  trans-64.3151.4163.5-58166.7179.1172.50111.8
629L32.6Very low33.3Very low163 Ų163135.4 Ų135.485%0.85379%0.789SS**  trans-144.6119.3146.3-150.976.3000111.3
630V30.3Very low33Very low127 Ų127135.3 Ų135.377%0.7779%0.794SS**  trans-94.6133.1164.71680000105.9
631T33.8Very low32.5Very low109 Ų109135.7 Ų135.767%0.66980%0.796SS**  trans-137.3112.2164.6-43.80000109.7
632S27.5Very low32.3Very low107 Ų107136.4 Ų136.475%0.74880%0.795SS**  trans-83.3138.6160.9-60.50000108.9
633T32.7Very low32.1Very low134 Ų134136.5 Ų136.582%0.82279%0.79SS**  trans-145106.1160.2250000110.4
634T27.5Very low32.1Very low118 Ų118138 Ų13872%0.72478%0.783SS**  trans-79138.9153.741.90000109.4
635F28.9Very low32.2Very low176 Ų176141.6 Ų141.677%0.77278%0.783SS**  154.1148.2113.5-105.9-74.4000115.1
636T30.8Very low32.1Very low111 Ų111137.3 Ų137.368%0.68177%0.774SS**  trans72.4107.9144.949.10000121.7
637T27.2Very low32Very low130 Ų130135.2 Ų135.280%0.79877%0.765SS**  trans-28141.9141.930.90000117.5
638N33.5Very low32.2Very low170 Ų170137.9 Ų137.991%0.90977%0.769SS**  trans-143.2129.5146.8-95.2-42.6000110.8
639Q29.6Very low32.2Very low189 Ų189135.6 Ų135.688%0.88377%0.766SS**  trans-77.6146168.2-78.9171.8-15.600110.5
640S34.3Very low32.4Very low112 Ų112134.9 Ų134.978%0.78377%0.768SS**  trans-164.299143.4-157.20000109.9
641V31.7Very low32.6Very low116 Ų116133.1 Ų133.170%0.70376%0.762SS**  60.6127.599-1280000118.9
642H35.9Very low32.6Very low144 Ų144135.2 Ų135.267%0.66777%0.769SS**  trans104.5113.3141.5-89.6-70000122.4
643Q33.3Very low33Very low154 Ų154134 Ų13472%0.7276%0.76SS**  trans61.7137.7135.3-77.4168.67.400118.1
644T33.7Very low33Very low114 Ų114136.3 Ų136.370%0.69976%0.759SS**  cis-178.3135.646.8-19.50000105.2
645L37Very low33.4Very low155 Ų155138.7 Ų138.781%0.81276%0.762SS**  171.7135.592.5-96.2155.7000110.2
646S32.6Very low33.4Very low97 Ų97134.8 Ų134.868%0.67876%0.756SS**  trans-25.3153.4149.549.70000115.6
647S34Very low33.6Very low101 Ų101136.4 Ų136.471%0.70676%0.76SS**  cis176.3145.631.722.60000107.6
648L37.2Very low34Very low173 Ų173136.8 Ų136.891%0.90676%0.757SS**  167.5111128.1-87.8163.9000110.7
649N32.2Very low33.9Very low147 Ų147136.2 Ų136.279%0.78675%0.754SS**  trans-62.7147.7166-78.4-25.3000111.4
650V37.6Very low34.2Very low149 Ų149132.4 Ų132.490%0.90375%0.746SS**  -147.9121.4117.1-179.80000108.4
651S32.9Very low34.3Very low90 Ų90135.6 Ų135.663%0.62975%0.753SS**  trans-88.9147.8177.239.20000112.1
652D35.1Very low34.4Very low153 Ų153136.1 Ų136.182%0.81875%0.752SS**  trans173.6138140.9-97.1-25.1000108.5
653S34.7Very low34.3Very low80 Ų80138.5 Ų138.556%0.55976%0.757SS**  cis-178.6145-2.6-124.10000108.3
654F34.2Very low34.5Very low183 Ų183136.5 Ų136.580%0.80376%0.755SS**  trans64.4112.6163-68.2-92.8000120.9
655H34.3Very low34.4Very low168 Ų168138.5 Ų138.578%0.77876%0.76SS**  101.9108.657.2-112.3-67.8000113.2
656S29.8Very low34.1Very low95 Ų95136.8 Ų136.866%0.66476%0.76SS**  trans-49.7150.9155.9-174.20000112
657L34Very low34.1Very low145 Ų145143.8 Ų143.876%0.75978%0.779SS**  trans179.7110.6140.8-91.8164.1000110.6
658D37.3Very low34.1Very low138 Ų138146 Ų14674%0.73878%0.782SS**  53.3122129.1-55.4-20.3000123.2
659N30.6Very low33.9Very low157 Ų157144.5 Ų144.584%0.8478%0.776SS**  trans-54.8176.1148.4-86.8-19.6000111.7
660P36.9Very low34Very low109 Ų109144.4 Ų144.471%0.70878%0.775SS**  cis-129.1162.3-1632.9-15000112.2
661L35.5Very low33.8Very low179 Ų179144.1 Ų144.194%0.93777%0.768SS**  trans-132.8100.9161.6-81176.5000111.3
662D33.9Very low33.8Very low128 Ų128147.5 Ų147.568%0.68478%0.776SS**  trans-60.8166144-1602.3000110
663Y34.1Very low33.8Very low194 Ų194147.1 Ų147.176%0.76177%0.773SS**  trans91.988.9174.6-73.3-96.9000119.7
664T37.1Very low33.7Very low111 Ų111151.9 Ų151.968%0.68179%0.789SS**  65.5116.4108.3-47.50000119.9
665L32Very low33.7Very low156 Ų156149.5 Ų149.582%0.81779%0.788SS**  trans29.7118.2143.2-100.187.7000119.4
666C29.6Very low33.6Very low120 Ų120148 Ų14881%0.81179%0.788SS**  159.892.3112.8-95.60000112.2
667K32.6Very low34Very low244 Ų244152.8 Ų152.8100%1.06180%0.8SS**  -178.80127-109.8179.3-179.7174.70111.6

Retrieved 667 of 667 residues in 916.9 ms (Link to these results)