A0A087YCK4_POEFO Loading...

Snail family zinc finger 1a

AlphaFold DB , UniProt , Accession A0A087YCK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M27.9Very low36.9Very low239 Ų239170.6 Ų170.6100%1.17781%0.814SS**  0139.40-77.1-74.9164.800108.4
2P43.4Very low36.9Very low117 Ų117163.5 Ų163.576%0.7680%0.804SS**  -112.3153.8-119.336.4-29.6000114.7
3R32.5Very low37.1Very low243 Ų243166.4 Ų166.492%0.91781%0.81SS**  trans-91.7103.5163.3-90.8-179.9158.1137.7-4.6109
4S35.3Very low36.7Very low94 Ų94168.1 Ų168.166%0.65782%0.815SS**  trans-55.5141.2153.6440000109.7
5F33.8Very low35.9Very low183 Ų183170.5 Ų170.580%0.80382%0.82SS**  trans-169.2110.2138.3-90.4-68.1000110.2
6L41.3Very low35.6Very low113 Ų113166.6 Ų166.659%0.59281%0.813SS**  trans67.885.1139.9-61.5168.9000119.9K8L6-K8 HydrophobicContact CD1-CD 4.47Å; L6-K8 HydrophobicContact CD2-CD 3.85Å; L6-K8 HydrophobicContact CD2-CG 4.04Å; L6-K8 PolarHBondContact O-N 3.45Å
7V40.9Very low35Very low153 Ų153164.6 Ų164.693%0.92781%0.807SS**  trans-72.993.2143.6-179.20000107.9
8K37Very low35.1Very low153 Ų153164.5 Ų164.567%0.66580%0.797SS**  trans-110.7103.7170.1-89.7176.8174.4172.20110.3L6L6-K8 HydrophobicContact CD1-CD 4.47Å; L6-K8 HydrophobicContact CD2-CD 3.85Å; L6-K8 HydrophobicContact CD2-CG 4.04Å; L6-K8 PolarHBondContact O-N 3.45Å
9K42.5Very low34.8Very low192 Ų192160.1 Ų160.184%0.83579%0.785SS**  trans3116.7145.9-65.5176.6175.51770116.6
10Y31.7Very low34.9Very low202 Ų202160.3 Ų160.379%0.79278%0.784SS**  trans-168.2128152.5-81.4-64.4000106.3
11F39.7Very low34.9Very low188 Ų188157.3 Ų157.383%0.82577%0.771SS**  cis-143.5141.612.1-97.2-88.4000110.3
12A36.7Very low34.9Very low85 Ų85153.4 Ų153.470%0.70275%0.75SS**  trans-78.1158159.200000110.5
13K39Very low34.5Very low201 Ų201151.3 Ų151.387%0.87474%0.738SS**  trans78.393.1169.1-59.4-179.8179.3-179.70116.2
14Q32Very low34.6Very low190 Ų190147 Ų14789%0.88873%0.728SS**  -157.8107.3113.3-98172.739.600106.6P16Q14-P16 WeakPolarHBondContact O-CD 3.37Å
15K24.7Very low34.5Very low204 Ų204147.2 Ų147.289%0.88772%0.722SS**  trans-74.6113.2164.5-68.5-176.6179.3-177.80105.3N17K15-N17 PolarHBondContact O-N 3.33Å
16P31.8Very low34.4Very low109 Ų109144.6 Ų144.671%0.70872%0.716SS**  trans-62.7115.5165.725.5-29.8000106.6Q14 Y18Q14-P16 WeakPolarHBondContact O-CD 3.37Å; P16-Y18 PolarHBondContact O-N 3.41Å
17N25.4Very low34.2Very low132 Ų132145.1 Ų145.171%0.70672%0.724SS**  trans-64.2112.4172.2-170.9-14.5000107.6K15 S19K15-N17 PolarHBondContact O-N 3.33Å; N17-S19 WeakPolarHBondContact OD1-CB 3.39Å; N17-S19 PolarHBondContact OD1-N 3.1Å; N17-S19 VanDerWaalsContact OD1-N 3.11Å; N17-S19 PolarHBondContact OD1-OG 3.01Å
18Y36.3Very low33.6Very low163 Ų163142 Ų14264%0.63971%0.709SS**  trans-114.961.7171-109.6-96.6000107.1P16 L21P16-Y18 PolarHBondContact O-N 3.41Å; Y18-L21 HydrophobicContact CD1-CD1 3.75Å; Y18-L21 HydrophobicContact CE1-CD1 3.4Å
19S29.4Very low33.5Very low80 Ų80142.6 Ų142.656%0.55972%0.718SS**  trans-82123.4166.5520000109.1N17N17-S19 WeakPolarHBondContact OD1-CB 3.39Å; N17-S19 PolarHBondContact OD1-N 3.1Å; N17-S19 VanDerWaalsContact OD1-N 3.11Å; N17-S19 PolarHBondContact OD1-OG 3.01Å
20E36Very low32.6Very low164 Ų164140.4 Ų140.477%0.76671%0.711SS**  trans59.997.2168.5-83.1164.3127.800117.8
21L35.7Very low32.6Very low99 Ų99136.7 Ų136.752%0.51871%0.71SS.*  trans-124.595.1156-73.8167000108.1Y18Y18-L21 HydrophobicContact CD1-CD1 3.75Å; Y18-L21 HydrophobicContact CE1-CD1 3.4Å
22E28.4Very low32Very low156 Ų156136.8 Ų136.873%0.72971%0.706SS**  trans-77.6130.9169.3-64.2-176.313200109.2
23C34.2Very low31.7Very low74 Ų74138.3 Ų138.350%0.571%0.709SS.*  trans-103.4104.9170.3-74.30000108.1T122C23-T122 PolarHBondContact SG-OG1 3.1Å
24Q34.8Very low31.1Very low153 Ų153137 Ų13772%0.71571%0.71SS**  trans-71.4125.8168-71.3172.3-16.200109.2D26Q24-D26 PolarHBondContact O-N 3.33Å
25N33.3Very low31Very low98 Ų98132.3 Ų132.352%0.52470%0.704SS.*  trans-81101.2159.9-87.4-12.5000106.6T27N25-T27 PolarHBondContact O-N 3.04Å
26D31.1Very low31.2Very low128 Ų128131.5 Ų131.568%0.68470%0.704SS**  trans-72.582.9164.8-71.9-43.3000108.6Q24 S28Q24-D26 PolarHBondContact O-N 3.33Å; D26-S28 PolarHBondContact O-N 2.84Å
27T38.3Very low31.3Very low123 Ų123132.7 Ų132.776%0.75571%0.709SS**  trans-8857.2153.546.70000108.4N25 L29N25-T27 PolarHBondContact O-N 3.04Å; T27-L29 PolarHBondContact O-N 3.16Å; T27-L29 VanDerWaalsContact O-N 3.16Å
28S27.6Very low31.5Very low88 Ų88132.1 Ų132.162%0.61571%0.712SS**  trans-75.4100.8163.3-660000107.1D26 E30D26-S28 PolarHBondContact O-N 2.84Å; S28-E30 PolarHBondContact O-N 3.44Å
29L34.8Very low31.2Very low165 Ų165130.1 Ų130.186%0.86472%0.722SS**  trans-6089.5154.6-78.5162000106.5T27 T31T27-L29 PolarHBondContact O-N 3.16Å; T27-L29 VanDerWaalsContact O-N 3.16Å; L29-T31 PolarHBondContact O-N 2.91Å
30E24.8Very low31.4Very low146 Ų146131 Ų13168%0.68273%0.734SS**  trans-60.895.4158.4-74.3-93.9122.300105.9S28 Y32S28-E30 PolarHBondContact O-N 3.44Å; E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 HydrophobicContact CB-CD2 4.5Å; E30-Y32 HydrophobicContact CB-CE2 4.21Å; E30-Y32 PolarHBondContact O-N 2.88Å
31T29.9Very low31Very low124 Ų124130.5 Ų130.576%0.76174%0.737SS**  trans-68.795.3164-54.60000104.8L29 P33L29-T31 PolarHBondContact O-N 2.91Å; T31-P33 WeakPolarHBondContact O-CD 3.36Å
32Y27.6Very low30.8Very low190 Ų190134.4 Ų134.475%0.74575%0.752SS**  trans-61124.4169-77-88.3000107.7E30 L34E30-Y32 VanDerWaalsContact C-N 3.28Å; E30-Y32 HydrophobicContact CB-CD2 4.5Å; E30-Y32 HydrophobicContact CB-CE2 4.21Å; E30-Y32 PolarHBondContact O-N 2.88Å; Y32-L34 PolarHBondContact O-N 3.44Å
33P29.8Very low30.7Very low117 Ų117131.8 Ų131.876%0.7675%0.751SS**  trans-59.9130.3171.6-17.829.5000108.9T31 A35T31-P33 WeakPolarHBondContact O-CD 3.36Å; P33-A35 PolarHBondContact O-N 2.99Å
34L28.1Very low30.8Very low173 Ų173134.9 Ų134.991%0.90677%0.768SS**  trans-57.9108.5164.3-79.3162.4000107.2Y32 E36Y32-L34 PolarHBondContact O-N 3.44Å; L34-E36 PolarHBondContact O-N 3.11Å; L34-E36 VanDerWaalsContact O-N 3.1Å
35A28.9Very low30.5Very low93 Ų93132.2 Ų132.277%0.76977%0.766SS**  trans-63.9111.2166.400000107.4P33 V37P33-A35 PolarHBondContact O-N 2.99Å; A35-V37 PolarHBondContact O-N 3.49Å
36E29.7Very low30.7Very low186 Ų186133.6 Ų133.687%0.86978%0.778SS**PPolyproline II helixtrans-55.5128.6168-66.3-178.1139.400109L34 P38L34-E36 PolarHBondContact O-N 3.11Å; L34-E36 VanDerWaalsContact O-N 3.1Å; E36-P38 WeakPolarHBondContact O-CD 3.22Å
37V32.4Very low30.7Very low135 Ų135132.2 Ų132.282%0.81878%0.777SS**PPolyproline II helixtrans-79.9117.3175-144.40000106.9A35 S39A35-V37 PolarHBondContact O-N 3.49Å; V37-S39 PolarHBondContact O-N 3.44Å
38P30.3Very low30.4Very low119 Ų119135.6 Ų135.677%0.77378%0.782SS**PPolyproline II helixtrans-73.4123.4175.4-10.826.9000109.3E36 A40E36-P38 WeakPolarHBondContact O-CD 3.22Å; P38-A40 PolarHBondContact O-N 3.32Å
39S30.2Very low30.8Very low121 Ų121136.6 Ų136.685%0.84678%0.784SS**PPolyproline II helixtrans-60.6124163.1-46.20000109.1V37V37-S39 PolarHBondContact O-N 3.44Å
40A32.6Very low31.1Very low98 Ų98135.4 Ų135.481%0.8178%0.784SS**  trans-124.2107.3172.300000109.1P38P38-A40 PolarHBondContact O-N 3.32Å
41D28.6Very low31.6Very low154 Ų154131.8 Ų131.882%0.82479%0.786SS**  trans-69.3158168.2-74.2-50.2000112.1
42H30.5Very low32.2Very low181 Ų181134.3 Ų134.384%0.83879%0.794SS**  trans-23.4140.6173.9-81-100000119.5
43S27.1Very low32.6Very low102 Ų102131 Ų13171%0.71379%0.794SS**  131.2144.4113.3-133.10000116.3
44T35.5Very low32.8Very low139 Ų139136.8 Ų136.885%0.85380%0.8SS**  trans81.714317476.40000116.5
45S28.5Very low33.1Very low97 Ų97135.5 Ų135.568%0.67879%0.794SS**  cis179154.7-23178.90000104.6
46T37.9Very low33.4Very low127 Ų127138 Ų13878%0.77979%0.794SS**  trans79.5141.9168.677.50000117.9
47C31.7Very low33.6Very low99 Ų99134.3 Ų134.367%0.66979%0.789SS**  cis-173.7150.2-36.952.50000108.6
48F31.7Very low34Very low194 Ų194134.6 Ų134.685%0.85179%0.79SS**  trans67.8140.1159.2-76.6-72.4000119
49T36.4Very low34.4Very low108 Ų108136.5 Ų136.566%0.66379%0.793SS**  cis-154142.920.340.30000111.5
50T40.6Very low35.4Very low141 Ų141136 Ų13687%0.86579%0.787SS**  trans51.4129.7143.563.40000120.3
51G35.1Very low35.6Very low70 Ų70135.5 Ų135.572%0.72278%0.783SS**  cis175.2173.5900000111.7
52L42.3Very low35.7Very low177 Ų177136.1 Ų136.193%0.92779%0.785SS**  trans87.488.3172.3-51.2-177.9000117.9
53V36.1Very low35.8Very low121 Ų121137.7 Ų137.773%0.73379%0.786SS**  trans-65.7149.9146.1-810000109.7
54W34.7Very low36.4Very low238 Ų238140 Ų14090%0.90279%0.789SS**  -158.3159.476.2-50.4-45.5000108.6
55D35.2Very low37.2Very low146 Ų146138.5 Ų138.578%0.78178%0.781SS**  cis-161.5161.911.1-144.2-42000108.8
56L35.3Very low37.4Very low146 Ų146140.2 Ų140.276%0.76479%0.788SS**  trans-75.1168.8-175.9-95.658.5000114.3
57S33.9Very low37.5Very low108 Ų108138.2 Ų138.276%0.75579%0.785SS**  trans91.3118.4153-38.20000113
58V40.5Very low37.5Very low141 Ų141142.8 Ų142.886%0.85580%0.795SS**  -153.3124.755.4172.30000110.6
59L38.1Very low37.5Very low158 Ų158138.4 Ų138.483%0.82779%0.789SS**  trans-94176.9149.6-81170.3000107.6
60P51.7Low37.4Very low112 Ų112141.5 Ų141.573%0.72780%0.796SS**  cis-138-175.4-7.922.73.4000112.8
61A35.2Very low37.1Very low87 Ų87139.1 Ų139.172%0.71979%0.791SS**  trans153104.3133.100000109.2
62L32.3Very low36.9Very low167 Ų167141.5 Ų141.587%0.87480%0.797SS**  52.3100.187.7-63179.4000113.2
63Y32.7Very low36.4Very low214 Ų214136.4 Ų136.484%0.83979%0.786SS**  -169.9127.4117.4-146.7-113.1000111.3
64L39.4Very low36.2Very low151 Ų151136.9 Ų136.979%0.79179%0.79SS**  trans-102.1179.6166.2-133.389.5000108.1
65P50.9Low36.1Very low106 Ų106131.4 Ų131.469%0.68879%0.788SS**  -105.7174-124.240.3-24.8000114.1
66T34.3Very low35.9Very low134 Ų134127.9 Ų127.982%0.82279%0.786SS**  trans-142.2114.7156.837.40000110.5
67A38.9Very low36.6Very low85 Ų85126.7 Ų126.770%0.70279%0.787SS**  trans-82.8149.9153.200000108.7
68H31.6Very low36.3Very low194 Ų194129 Ų12990%0.89879%0.79SS**  trans-178.8156.6138.1-106.1-78.3000112.2
69S32.4Very low35.6Very low103 Ų103128.2 Ų128.272%0.7278%0.781SS**  trans95.193.1166.4-163.20000115.7
70E33.8Very low35.2Very low172 Ų172127.8 Ų127.880%0.80478%0.779SS**  73.8111.378.7-66.3-156.2132.100113.2
71A34.2Very low34.2Very low91 Ų91127.9 Ų127.975%0.75278%0.782SS**  87.3141.6104.600000111.6
72S32.3Very low34.1Very low121 Ų121129.2 Ų129.285%0.84679%0.786SS**  cis-175.4157.4-0.5-85.10000107.1
73G30.5Very low34.6Very low69 Ų69127.3 Ų127.371%0.71178%0.784SS**  trans102.2146.9153.400000116.5
74T33.3Very low34.2Very low132 Ų132122.5 Ų122.581%0.8178%0.781SS**  cis-164.1144.5-5.839.70000107.7
75S31.2Very low33.7Very low122 Ų122120.6 Ų120.685%0.85378%0.78SS**  trans9.3138.2151.859.20000123
76G30.8Very low32.7Very low73 Ų73123.9 Ų123.975%0.75379%0.79SS**  trans157.4118.5146.700000115.4
77P50.8Low32.4Very low120 Ų120122.4 Ų122.478%0.77979%0.786SS**  trans-100-168.4-17739.4-32.1000113.5
78L28.2Very low32Very low156 Ų156124.3 Ų124.382%0.81779%0.794SS**  trans95.2137.3-178.7-49.7177.8000112.2
79D26Very low32.1Very low126 Ų126121 Ų12167%0.67479%0.792SS**  cis-163.1173.714.8-141.6-63.8000109.9
80L29.2Very low32Very low148 Ų148121 Ų12178%0.77580%0.799SS**  trans-45.9148.4179.9-79.769.4000116
81S29.8Very low31.8Very low114 Ų114118.8 Ų118.880%0.79780%0.803SS**  159.1122.7112.948.60000113.8
82S32.9Very low31.6Very low115 Ų115120 Ų12080%0.80481%0.805SS**  trans-75.5154.1146.2-60.20000108.6
83P43.1Very low31.5Very low127 Ų127120 Ų12083%0.82581%0.806SS**  -139.6161.1111.133.9-19.4000114.4
84C25.1Very low31.6Very low114 Ų114120.1 Ų120.177%0.7781%0.807SS**  trans-72.1164.1178.9-63.10000114.3
85S27.9Very low31.7Very low111 Ų111123.3 Ų123.378%0.77681%0.812SS**  trans80.9104.5145.6-52.60000118.4
86L31.1Very low31.7Very low174 Ų174126.9 Ų126.991%0.91182%0.816SS**  trans-139.8122.4133.8-79.7177.3000110.2
87S27.9Very low31.8Very low104 Ų104131.1 Ų131.173%0.72782%0.821SS**  trans-58.6147.8163.647.70000112.1
88S30.8Very low31.1Very low124 Ų124134.4 Ų134.487%0.86783%0.826SS**  trans-164.9121138.3-790000110.5
89S33.3Very low31.3Very low124 Ų124129.9 Ų129.987%0.86782%0.817SS**  trans-75138161.842.30000110.6
90A29.3Very low31.8Very low105 Ų105135.3 Ų135.387%0.86883%0.828SS**  trans-154.7124.3153.900000109.9
91S29.7Very low32Very low125 Ų125132.9 Ų132.987%0.87482%0.823SS**  trans-87.7132.4168.6-44.90000108.7
92S31.1Very low32.3Very low115 Ų115132.5 Ų132.580%0.80482%0.821SS**  trans-163.7125.6145.659.20000110.8
93S29.8Very low32.6Very low123 Ų123133.8 Ų133.886%0.8682%0.818SS**  trans-50137.1159.543.50000112.6
94G31.6Very low32.5Very low71 Ų71132.8 Ų132.873%0.73281%0.812SS**  trans-156.7112.6165.500000107.8
95E36.6Very low33.1Very low198 Ų198133.5 Ų133.593%0.92582%0.815SS**  trans-79.2122.9178.1-61.5168.1119.700108.5
96E31.7Very low33.7Very low197 Ų197133.3 Ų133.392%0.92181%0.814SS**  trans-137.899.2166.9-59.9-172.6177.600107.8
97D33Very low34.4Very low162 Ų162130.9 Ų130.987%0.86681%0.808SS**  trans-95.9110.5170-161.2-48000106.2
98E34.3Very low34.9Very low190 Ų190134.2 Ų134.289%0.88881%0.813SS**  trans-164.9126.3164.4-96.7-76.683.700108.8
99G32.9Very low35.6Very low60 Ų60131.9 Ų131.962%0.61979%0.794SS**  trans91.881.4153.200000117.8S101G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.19Å
100R37.8Very low36.5Very low240 Ų240132 Ų13291%0.90679%0.79SS**  trans-65.783.7162.2-168.1169.4-171.9-153.21110.6S102R100-S102 PolarHBondContact O-N 3.44Å; R100-S102 VanDerWaalsContact O-N 3.15Å
101S31.6Very low37.8Very low97 Ų97130.1 Ų130.168%0.67876%0.764SS**  trans-66.7108.1165.6-65.90000108G99 D103G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.19Å; S101-D103 PolarHBondContact O-N 3.05Å
102S37.3Very low38.9Very low107 Ų107128.6 Ų128.675%0.74875%0.75SS**  trans-7686170.1-600000107.1R100R100-S102 PolarHBondContact O-N 3.44Å; R100-S102 VanDerWaalsContact O-N 3.15Å
103D38Very low39.8Very low141 Ų141129.2 Ų129.275%0.75474%0.736SS**PPolyproline II helixtrans-54.5129.3168.6-74.7-50.9000108.6S101S101-D103 PolarHBondContact O-N 3.05Å
104P42.1Very low41Very low107 Ų107126 Ų12670%0.69572%0.717SS**PPolyproline II helixtrans-59.2144.9173.624.7-31.8000109.1S106P104-S106 PolarHBondContact O-N 3.35Å
105P38.1Very low41.8Very low128 Ų128128.7 Ų128.783%0.83172%0.721SS**PPolyproline II helixtrans-55.6117.318022.4-31.9000109.2
106S40.2Very low42.5Very low108 Ų108128.6 Ų128.676%0.75571%0.712SS**PPolyproline II helixtrans-49.6136.2173.5-940000109.4P104 E108P104-S106 PolarHBondContact O-N 3.35Å; S106-E108 PolarHBondContact O-N 3.22Å
107P44.4Very low43.4Very low122 Ų122124.5 Ų124.579%0.79269%0.693SS**PPolyproline II helixtrans-57.1127.3-178.423.3-32.5000109.5
108E39.2Very low44Very low174 Ų174128.2 Ų128.281%0.81370%0.695SS**PPolyproline II helixtrans-56.1135.4177.9-68.6-145.316000109.8S106 V110S106-E108 PolarHBondContact O-N 3.22Å; E108-V110 PolarHBondContact O-N 3.3Å
109P45.8Very low44.7Very low75 Ų75121.4 Ų121.449%0.48766%0.664SS.*  trans-63.8108-175.323.6-32.2000110.3I111 P206P109-I111 PolarHBondContact O-N 2.59Å; P109-P206 HydrophobicContact CB-CB 4.24Å; P109-P206 HydrophobicContact CB-CG 3.79Å
110V51.3Low45.3Very low126 Ų126127 Ų12776%0.76467%0.671SS**  trans-70.6104.8175.4-176.90000108.4E108 T112E108-V110 PolarHBondContact O-N 3.3Å; V110-T112 PolarHBondContact O-N 3.23Å; V110-T112 VanDerWaalsContact O-N 3.11Å
111I56.4Low45.4Very low66 Ų66118.3 Ų118.334%0.33865%0.646SS.*  trans-72.3105.4174.1-55.6173.4000108P109 Y113 L218P109-I111 PolarHBondContact O-N 2.59Å; I111-Y113 HydrophobicContact CB-CE1 4.17Å; I111-Y113 HydrophobicContact CG2-CD1 4.04Å; I111-Y113 HydrophobicContact CG2-CE1 3.41Å; I111-Y113 VanDerWaalsContact CG2-CE1 3.41Å; I111-Y113 PolarHBondContact O-N 3.45Å; I111-L218 HydrophobicContact CG2-CD2 4.23Å
112T53.7Low46Very low94 Ų94117.1 Ų117.158%0.57764%0.635SS**  trans-69.4128.2173.350.80000110.4V110V110-T112 PolarHBondContact O-N 3.23Å; V110-T112 VanDerWaalsContact O-N 3.11Å
113Y51Low46.5Very low127 Ų127113.7 Ų113.750%0.49862%0.617SS.*  trans-109.6125.7177.1-60.2-57.2000110.7I111 F203I111-Y113 HydrophobicContact CB-CE1 4.17Å; I111-Y113 HydrophobicContact CG2-CD1 4.04Å; I111-Y113 HydrophobicContact CG2-CE1 3.41Å; I111-Y113 VanDerWaalsContact CG2-CE1 3.41Å; I111-Y113 PolarHBondContact O-N 3.45Å; Y113-F203 HydrophobicContact CD1-CD1 4.07Å; Y113-F203 AromaticContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CE1-CD1 4.24Å; Y113-F203 HydrophobicContact CE1-CE1 4.02Å
114A54.2Low46.8Very low56 Ų56112.8 Ų112.846%0.46362%0.616SS.*  trans-67.3152.8167.400000111.6P202A114-P202 HydrophobicContact CB-CB 3.67Å
115P48.7Very low46.9Very low127 Ų127113.3 Ų113.383%0.82561%0.611SS**  trans-58.1143.6-17920.7-31.5000112.9Q117P115-Q117 PolarHBondContact O-N 3.15Å
116R51.3Low47.4Very low196 Ų196109.4 Ų109.474%0.7459%0.589SS**  trans-82.9104.8-175.3-67.7-177.6177.3-138.79.1111.1R118R116-R118 PolarHBondContact O-N 3.14Å
117Q51.1Low47.6Very low111 Ų111112.9 Ų112.952%0.51959%0.593SS.*  trans-61.8117.1168.8-70.7176.43.100111.2P115 M119 R191 E200P115-Q117 PolarHBondContact O-N 3.15Å; Q117-M119 PolarHBondContact O-N 3.28Å; Q117-R191 PolarHBondContact O-NE 3.34Å; Q117-R191 PolarHBondContact O-NH1 3.45Å; Q117-R191 PolarHBondContact O-NH2 3.4Å; Q117-E200 PolarHBondContact NE2-OE1 3.29Å
118R45.1Very low47.8Very low241 Ų241108.6 Ų108.691%0.90957%0.565SS**  trans-85.991.7-170-135.4-178.6174.8-168.8-1.4111.3R116 K120R116-R118 PolarHBondContact O-N 3.14Å; R118-K120 PolarHBondContact O-N 3.27Å
119M49.7Very low48Very low47 Ų47104.7 Ų104.723%0.23256%0.557CS.*  trans-68.3126.4171.3-135.981.683.500111.4Q117 I194Q117-M119 PolarHBondContact O-N 3.28Å; M119-I194 HydrophobicContact CE-CD1 3.18Å
120K44.9Very low48Very low176 Ų176105.8 Ų105.877%0.76556%0.564SS**  trans-75.7141167.1-131.895.5173.7-159.60108.7R118R118-K120 PolarHBondContact O-N 3.27Å
121C39.2Very low47.6Very low58 Ų58103.6 Ų103.639%0.39255%0.552SS.*  trans-119.9106.7174.1-61.70000108.1G123 P187C121-G123 PolarHBondContact O-N 3.05Å; C121-P187 HydrophobicContact CB-CG 4.33Å; C121-P187 WeakPolarHBondContact SG-CB 3.44Å; C121-P187 WeakPolarHBondContact SG-CG 3.48Å
122T45.3Very low46.8Very low73 Ų73109 Ų10945%0.44858%0.576SS.*  trans-91.681.117744.40000108.6C23C23-T122 PolarHBondContact SG-OG1 3.1Å
123G47.1Very low46.3Very low35 Ų35113.7 Ų113.736%0.36159%0.591SS.*  trans-130.7116.3172.300000109.5C121 M125C121-G123 PolarHBondContact O-N 3.05Å; G123-M125 PolarHBondContact O-N 2.88Å; G123-M125 VanDerWaalsContact O-N 3.15Å
124V45.2Very low45.9Very low122 Ų122116 Ų11674%0.73961%0.606SS**  trans-66.9111.6171.7-176.20000107.1A126V124-A126 PolarHBondContact O-N 3.44Å
125M43.1Very low45.8Very low118 Ų118121.7 Ų121.758%0.58162%0.624SS**PPolyproline II helixtrans-64.1129173.1-66.4-137.8-139.400108.2G123 H127G123-M125 PolarHBondContact O-N 2.88Å; G123-M125 VanDerWaalsContact O-N 3.15Å; M125-H127 PolarHBondContact O-N 2.74Å
126A48.8Very low45.4Very low46 Ų46123.9 Ų123.938%0.3862%0.623SS.*PPolyproline II helixtrans-52.2131.3174.600000109.7V124 V128V124-A126 PolarHBondContact O-N 3.44Å; A126-V128 PolarHBondContact O-N 2.79Å; A126-V128 VanDerWaalsContact O-N 3.14Å
127H43.5Very low45.3Very low181 Ų181125.3 Ų125.384%0.83863%0.628SS**PPolyproline II helixtrans-53.4120.8168.6-102.2-101.9000108.1M125M125-H127 PolarHBondContact O-N 2.74Å
128V49.8Very low44.8Very low32 Ų32123.1 Ų123.119%0.19464%0.635CS.*  trans-104.7102.4169.4-169.50000105.5A126 L161 L164 K165 I168A126-V128 PolarHBondContact O-N 2.79Å; A126-V128 VanDerWaalsContact O-N 3.14Å; V128-L161 HydrophobicContact CB-CD1 3.78Å; V128-L161 HydrophobicContact CG1-CD1 3.24Å; V128-L164 HydrophobicContact CG1-CD2 4.1Å; V128-K165 HydrophobicContact CG2-CD 4.44Å; V128-K165 HydrophobicContact CG2-CG 3.7Å; V128-I168 HydrophobicContact CG2-CD1 4.22Å
129S42.7Very low45.2Very low92 Ų92120.9 Ų120.964%0.64364%0.635SS**PPolyproline II helixtrans-65.7136.4173.8-54.60000109
130P45.9Very low45Very low98 Ų98125.1 Ų125.164%0.63666%0.664SS**PPolyproline II helixtrans-55.5149.3163.4-18.731.5000109.8E132P130-E132 PolarHBondContact O-N 3.14Å
131P43.8Very low45.3Very low80 Ų80122.8 Ų122.852%0.51967%0.667SS.*PPolyproline II helixtrans-58.3127.2164.825.5-30.1000108E133P131-E133 PolarHBondContact O-N 3.4Å
132E38.8Very low45.9Very low180 Ų180124.6 Ų124.684%0.84169%0.686SS**PPolyproline II helixtrans-63.9119169.8-65179.5160.300106.6P130 E134P130-E132 PolarHBondContact O-N 3.14Å; E132-E134 PolarHBondContact O-N 2.95Å
133E42.8Very low46.1Very low191 Ų191130.1 Ų130.189%0.89371%0.709SS**  trans-71.896.6174.7-67.4-179.6-18000107.2P131 E135P131-E133 PolarHBondContact O-N 3.4Å; E133-E135 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact O-N 3.1Å
134E43.8Very low46.3Very low175 Ų175133.1 Ų133.182%0.81873%0.731SS**  trans-69.1103.6164.9-70.3-170.3167.700107.7E132 E136E132-E134 PolarHBondContact O-N 2.95Å; E134-E136 PolarHBondContact O-N 3.3Å
135E51.8Low47Very low176 Ų176131.9 Ų131.982%0.82273%0.733SS**  trans-65.580.5171.6-171.8-174.4156.200109.6E133E133-E135 PolarHBondContact O-N 2.95Å; E133-E135 VanDerWaalsContact O-N 3.1Å
136E39.9Very low47.9Very low173 Ų173135 Ų13581%0.80874%0.738SS**  trans-91.7107.2165.2-97.2-75.7152.700108.9E134 G138E134-E136 PolarHBondContact O-N 3.3Å; E136-G138 PolarHBondContact O-N 3.35Å
137R49.1Very low48.5Very low226 Ų226137 Ų13785%0.85375%0.747SS**  trans-65.996.7174.1-179.7-173.9-63.4179.60.4109.5
138G41.3Very low50.2Low65 Ų65131 Ų13167%0.6773%0.729SS**  trans-157.5112.4171.300000112.4E136E136-G138 PolarHBondContact O-N 3.35Å
139E53.6Low51.9Low194 Ų194131.3 Ų131.391%0.90773%0.728SS**  trans-68.9125.9-174.3-57.9171151.500113.1
140T43.7Very low54Low136 Ų136132.1 Ų132.183%0.83472%0.724SS**  trans-155.3157.315152.10000111.9
141P52.3Low55.8Low127 Ų127128 Ų12883%0.82570%0.698SS**  trans-86.7125.3-165.4-0.920.2000114.7M143P141-M143 PolarHBondContact O-N 3.44Å
142A52.1Low57.7Low96 Ų96131.5 Ų131.579%0.79371%0.705SS**  trans26.181.9143.600000120.2
143M49.1Very low59.8Low190 Ų190127.9 Ų127.994%0.93669%0.688SS**  -135.789.8126.6-84.8-154142.600107.5P141 A145P141-M143 PolarHBondContact O-N 3.44Å; M143-A145 PolarHBondContact O-N 3.45Å
144A50.6Low61.9Low98 Ų98120.1 Ų120.181%0.8165%0.654SS**  trans-53.299.6-17500000111.1R146A144-R146 PolarHBondContact O-N 3.48Å
145A61.6Low63.8Low95 Ų95118 Ų11879%0.78566%0.656SS**  trans-58.1105.1162.300000106.2M143M143-A145 PolarHBondContact O-N 3.45Å
146R60.5Low65.3Low183 Ų183115.4 Ų115.469%0.69164%0.642SS**PPolyproline II helixtrans-55.1134.3174-75.3175.467.9163.73107.4A144 A148A144-R146 PolarHBondContact O-N 3.48Å; R146-A148 PolarHBondContact O-N 3.48Å
147P62.3Low67.6Low89 Ų89113.6 Ų113.658%0.57863%0.633SS**PPolyproline II helixtrans-56.8117.9178.519.2-29.3000109.3
148A79.1Confident69.4Low54 Ų54105.1 Ų105.145%0.44660%0.602SS.*PPolyproline II helixtrans-84.2135.1177.600000109.5R146R146-A148 PolarHBondContact O-N 3.48Å
149F85.4Confident71.5Confident39 Ų39106.7 Ų106.717%0.17160%0.599CS.*EExtended strand (participates in β ladder)trans-97.2112176.4-65.1-85.1000109.2Y158 L161 L164F149-Y158 PolarHBondContact N-O 3.32Å; F149-Y158 PolarHBondContact O-N 3.17Å; F149-L161 HydrophobicContact CD1-CB 4.05Å; F149-L161 HydrophobicContact CD1-CD1 3.79Å; F149-L161 VanDerWaalsContact CD2-N 3.26Å; F149-L161 HydrophobicContact CE1-CB 3.72Å; F149-L161 HydrophobicContact CE1-CD1 3.87Å; F149-L161 HydrophobicContact CE1-CG 4.3Å; F149-L161 HydrophobicContact CE2-CB 4.24Å; F149-L161 VanDerWaalsContact CE2-N 3.28Å; F149-L161 HydrophobicContact CG-CB 4.45Å; F149-L161 HydrophobicContact CZ-CB 3.82Å; F149-L164 HydrophobicContact CB-CB 3.9Å; F149-L164 HydrophobicContact CB-CD2 3.72Å; F149-L164 HydrophobicContact CB-CG 4.38Å
150L85.6Confident73.1Confident109 Ų10999.8 Ų99.857%0.57157%0.572SS**EExtended strand (participates in β ladder)trans-90.8141.7-176.9-59.1178.3000112.1E157 L164L150-E157 HydrophobicContact CD2-CB 3.85Å; L150-E157 HydrophobicContact CD2-CG 3.39Å; L150-L164 WeakPolarHBondContact O-CD2 3.46Å
151C84.5Confident75Confident12 Ų1295.6 Ų95.68%0.08154%0.544CS..  trans-83126.1171.4-176.40000111.8H153 C154 K156 L164 H167C151-H153 PolarHBondContact O-N 3.47Å; C151-H153 PolarHBondContact SG-N 2.86Å; C151-H153 VanDerWaalsContact SG-N 3.4Å; C151-C154 WeakPolarHBondContact CB-O 3.14Å; C151-K156 PolarHBondContact N-O 2.98Å; C151-L164 HydrophobicContact CB-CD1 3.74Å; C151-H167 PolarHBondContact SG-CD2 3.38Å; C151-H167 PolarHBondContact SG-NE2 3.34Å
152K84.3Confident76.7Confident153 Ų15391.9 Ų91.967%0.66553%0.529SS*.THydrogen-bonded Turntrans-69.8-11.5175.765.6-177.6-179.6-179.80115.2
153H82.8Confident78.3Confident104 Ų10488.5 Ų88.548%0.48150%0.501SS..THydrogen-bonded Turntrans-106.4-13-177.1-62.4-67.2000113.2C151 H171C151-H153 PolarHBondContact O-N 3.47Å; C151-H153 PolarHBondContact SG-N 2.86Å; C151-H153 VanDerWaalsContact SG-N 3.4Å; H153-H171 HydrophobicContact CB-CB 4.37Å
154C86.3Confident80.1Confident29 Ų2979.8 Ų79.820%0.19646%0.458CS..SBendtrans-160.8160.1179.874.70000110.6C151 K156 H167C151-C154 WeakPolarHBondContact CB-O 3.14Å; C154-K156 PolarHBondContact O-N 3.3Å; C154-H167 VanDerWaalsContact SG-CE1 3.54Å; C154-H167 PolarHBondContact SG-NE2 3.34Å
155P84.8Confident81.7Confident131 Ų13179.2 Ų79.285%0.85144%0.437SS*.SBendtrans-74.523.2-17431.8-36.9000114.5
156K83.1Confident82.6Confident121 Ų12179.3 Ų79.353%0.52642%0.423SS..  trans-87.1139.4-178.9-68.2-175.6-179-178.60111.5C151 C154 Y158C151-K156 PolarHBondContact N-O 2.98Å; C154-K156 PolarHBondContact O-N 3.3Å; K156-Y158 HydrophobicContact CB-CE2 3.79Å; K156-Y158 WeakPolarHBondContact CD-OH 3.49Å
157E88.4Confident83.7Confident135 Ų13571.6 Ų71.663%0.63139%0.394SS*.EExtended strand (participates in β ladder)trans-114.5150.3-179.4-39.1-167.2168.400110.9L150L150-E157 HydrophobicContact CD2-CB 3.85Å; L150-E157 HydrophobicContact CD2-CG 3.39Å
158Y85.4Confident84.7Confident47 Ų4768.1 Ų68.118%0.18437%0.371CS..EExtended strand (participates in β ladder)trans-135.7139.4-176.2-64.6-83.8000110.7F149 K156 S160 A163 L164 H167F149-Y158 PolarHBondContact N-O 3.32Å; F149-Y158 PolarHBondContact O-N 3.17Å; K156-Y158 HydrophobicContact CB-CE2 3.79Å; K156-Y158 WeakPolarHBondContact CD-OH 3.49Å; Y158-S160 PolarHBondContact O-N 3.38Å; Y158-A163 HydrophobicContact CD1-CB 3.64Å; Y158-A163 HydrophobicContact CG-CB 4.22Å; Y158-L164 HydrophobicContact CD2-CB 3.97Å; Y158-L164 HydrophobicContact CD2-CD1 3.77Å; Y158-L164 HydrophobicContact CD2-CG 4.49Å; Y158-L164 HydrophobicContact CE2-CD1 4.13Å; Y158-L164 HydrophobicContact CG-CB 4.15Å; Y158-H167 HydrophobicContact CE1-CB 3.92Å; Y158-H167 HydrophobicContact CE2-CB 3.73Å; Y158-H167 AromaticContact CE2-CD2 3.4Å; Y158-H167 WeakPolarHBondContact CE2-CD2 3.47Å; Y158-H167 AromaticContact CE2-CG 3.57Å; Y158-H167 AromaticContact CZ-CD2 3.68Å; Y158-H167 AromaticContact CZ-CG 3.35Å; Y158-H167 AromaticContact CZ-ND1 3.96Å; Y158-H167 WeakPolarHBondContact OH-CB 3.33Å; Y158-H167 PolarHBondContact OH-CD2 2.86Å; Y158-H167 PolarHBondContact OH-ND1 3.16Å
159T85.9Confident84.6Confident99 Ų9968.6 Ų68.661%0.60736%0.361SS*.SBendtrans-78.2-3.6176.354.40000113.5
160S86.3Confident84.1Confident49 Ų4969.5 Ų69.534%0.34337%0.372SS..SBendtrans-147.9145.2178.466.90000112.6Y158 G162 A163 L164Y158-S160 PolarHBondContact O-N 3.38Å; S160-G162 PolarHBondContact O-N 2.77Å; S160-A163 PolarHBondContact O-N 3.33Å; S160-A163 VanDerWaalsContact O-N 3.17Å; S160-A163 VanDerWaalsContact OG-CB 3.27Å; S160-A163 WeakPolarHBondContact OG-CB 3.44Å; S160-A163 PolarHBondContact OG-N 3.45Å; S160-L164 PolarHBondContact O-N 3.38Å; S160-L164 VanDerWaalsContact O-N 3.1Å
161L85.6Confident83.8Confident48 Ų4868 Ų6825%0.25136%0.362SS..Hα-helixtrans-57.8-37.7174.8-17661.7000112.2V128 F149 L164 K165V128-L161 HydrophobicContact CB-CD1 3.78Å; V128-L161 HydrophobicContact CG1-CD1 3.24Å; F149-L161 HydrophobicContact CD1-CB 4.05Å; F149-L161 HydrophobicContact CD1-CD1 3.79Å; F149-L161 VanDerWaalsContact CD2-N 3.26Å; F149-L161 HydrophobicContact CE1-CB 3.72Å; F149-L161 HydrophobicContact CE1-CD1 3.87Å; F149-L161 HydrophobicContact CE1-CG 4.3Å; F149-L161 HydrophobicContact CE2-CB 4.24Å; F149-L161 VanDerWaalsContact CE2-N 3.28Å; F149-L161 HydrophobicContact CG-CB 4.45Å; F149-L161 HydrophobicContact CZ-CB 3.82Å; L161-L164 PolarHBondContact O-N 3.05Å; L161-K165 HydrophobicContact CG-CD 4.22Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.41Å; L161-K165 PolarHBondContact O-N 2.89Å
162G87.1Confident83.3Confident49 Ų4971 Ų7151%0.50538%0.38SS..Hα-helixtrans-62.7-41.7177.400000112.6S160 K165 M166S160-G162 PolarHBondContact O-N 2.77Å; G162-K165 PolarHBondContact O-N 3.11Å; G162-M166 WeakPolarHBondContact O-CB 3.37Å; G162-M166 PolarHBondContact O-N 3.09Å
163A85.4Confident83Confident25 Ų2567 Ų6721%0.20737%0.366CS..Hα-helixtrans-67.9-40.7176.400000111.9Y158 S160 M166 H167Y158-A163 HydrophobicContact CD1-CB 3.64Å; Y158-A163 HydrophobicContact CG-CB 4.22Å; S160-A163 PolarHBondContact O-N 3.33Å; S160-A163 VanDerWaalsContact O-N 3.17Å; S160-A163 VanDerWaalsContact OG-CB 3.27Å; S160-A163 WeakPolarHBondContact OG-CB 3.44Å; S160-A163 PolarHBondContact OG-N 3.45Å; A163-M166 PolarHBondContact O-N 3.3Å; A163-H167 WeakPolarHBondContact O-CB 3.48Å; A163-H167 PolarHBondContact O-N 3.31Å
164L86.8Confident82.6Confident6 Ų664.3 Ų64.33%0.03136%0.358CS..Hα-helixtrans-61.3-48.8172.9174.361.7000111.6V128 F149 L150 C151 Y158 S160 L161 M166 H167 I168V128-L164 HydrophobicContact CG1-CD2 4.1Å; F149-L164 HydrophobicContact CB-CB 3.9Å; F149-L164 HydrophobicContact CB-CD2 3.72Å; F149-L164 HydrophobicContact CB-CG 4.38Å; L150-L164 WeakPolarHBondContact O-CD2 3.46Å; C151-L164 HydrophobicContact CB-CD1 3.74Å; Y158-L164 HydrophobicContact CD2-CB 3.97Å; Y158-L164 HydrophobicContact CD2-CD1 3.77Å; Y158-L164 HydrophobicContact CD2-CG 4.49Å; Y158-L164 HydrophobicContact CE2-CD1 4.13Å; Y158-L164 HydrophobicContact CG-CB 4.15Å; S160-L164 PolarHBondContact O-N 3.38Å; S160-L164 VanDerWaalsContact O-N 3.1Å; L161-L164 PolarHBondContact O-N 3.05Å; L164-M166 VanDerWaalsContact C-N 3.28Å; L164-M166 PolarHBondContact O-N 3.49Å; L164-H167 CarbonylContact O-C 3.54Å; L164-H167 WeakPolarHBondContact O-CA 3.38Å; L164-H167 WeakPolarHBondContact O-CB 3.36Å; L164-H167 PolarHBondContact O-N 2.89Å; L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.03Å; L164-I168 HydrophobicContact CD2-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.43Å
165K83.8Confident82.4Confident87 Ų8763.3 Ų63.338%0.37835%0.351SS..Hα-helixtrans-56.5-43.9177.2-78.6176.2178.4177.70111.5V128 L161 G162 H167 I168 R169V128-K165 HydrophobicContact CG2-CD 4.44Å; V128-K165 HydrophobicContact CG2-CG 3.7Å; L161-K165 HydrophobicContact CG-CD 4.22Å; L161-K165 WeakPolarHBondContact O-CB 3.36Å; L161-K165 WeakPolarHBondContact O-CG 3.41Å; L161-K165 PolarHBondContact O-N 2.89Å; G162-K165 PolarHBondContact O-N 3.11Å; K165-H167 VanDerWaalsContact C-N 3.34Å; K165-I168 PolarHBondContact O-N 3.17Å; K165-R169 WeakPolarHBondContact O-CG 3.49Å
166M81.4Confident82.1Confident97 Ų9761 Ų6148%0.47833%0.334SS..Hα-helixtrans-65.2-38.7176.6-177.9171.963.300112.1G162 A163 L164 R169 R186G162-M166 WeakPolarHBondContact O-CB 3.37Å; G162-M166 PolarHBondContact O-N 3.09Å; A163-M166 PolarHBondContact O-N 3.3Å; L164-M166 VanDerWaalsContact C-N 3.28Å; L164-M166 PolarHBondContact O-N 3.49Å; M166-R169 WeakPolarHBondContact O-CB 3.42Å; M166-R169 PolarHBondContact O-N 3.19Å; M166-R186 PolarHBondContact SD-NH2 2.84Å
167H83.6Confident82Confident20 Ų2055.2 Ų55.29%0.09331%0.309CS..Hα-helixtrans-66-42.8176167.261.1000112.5C151 C154 Y158 A163 L164 K165 R169 S170 H171C151-H167 PolarHBondContact SG-CD2 3.38Å; C151-H167 PolarHBondContact SG-NE2 3.34Å; C154-H167 VanDerWaalsContact SG-CE1 3.54Å; C154-H167 PolarHBondContact SG-NE2 3.34Å; Y158-H167 HydrophobicContact CE1-CB 3.92Å; Y158-H167 HydrophobicContact CE2-CB 3.73Å; Y158-H167 AromaticContact CE2-CD2 3.4Å; Y158-H167 WeakPolarHBondContact CE2-CD2 3.47Å; Y158-H167 AromaticContact CE2-CG 3.57Å; Y158-H167 AromaticContact CZ-CD2 3.68Å; Y158-H167 AromaticContact CZ-CG 3.35Å; Y158-H167 AromaticContact CZ-ND1 3.96Å; Y158-H167 WeakPolarHBondContact OH-CB 3.33Å; Y158-H167 PolarHBondContact OH-CD2 2.86Å; Y158-H167 PolarHBondContact OH-ND1 3.16Å; A163-H167 WeakPolarHBondContact O-CB 3.48Å; A163-H167 PolarHBondContact O-N 3.31Å; L164-H167 CarbonylContact O-C 3.54Å; L164-H167 WeakPolarHBondContact O-CA 3.38Å; L164-H167 WeakPolarHBondContact O-CB 3.36Å; L164-H167 PolarHBondContact O-N 2.89Å; K165-H167 VanDerWaalsContact C-N 3.34Å; H167-R169 PolarHBondContact O-N 3.31Å; H167-S170 WeakPolarHBondContact O-CB 3.34Å; H167-S170 PolarHBondContact O-N 3.5Å; H167-S170 PolarHBondContact O-OG 3.12Å; H167-H171 AromaticContact CE1-CE1 3.99Å; H167-H171 AromaticContact CE1-NE2 3.26Å; H167-H171 PolarHBondContact CE1-NE2 3.49Å; H167-H171 VanDerWaalsContact CE1-NE2 3.26Å; H167-H171 AromaticContact NE2-CD2 3.71Å; H167-H171 AromaticContact NE2-NE2 2.99Å; H167-H171 PolarHBondContact NE2-NE2 3.2Å
168I82.3Confident81.5Confident17 Ų1753.7 Ų53.79%0.08731%0.309CS..Hα-helixtrans-56.2-29.7179.9-69.2165.1000111.8V128 L164 K165 S170 H171 T172V128-I168 HydrophobicContact CG2-CD1 4.22Å; L164-I168 HydrophobicContact CD1-CD1 3.97Å; L164-I168 HydrophobicContact CD1-CG1 4.03Å; L164-I168 HydrophobicContact CD2-CD1 4.43Å; L164-I168 HydrophobicContact CG-CD1 3.87Å; L164-I168 HydrophobicContact CG-CG1 4.38Å; L164-I168 WeakPolarHBondContact O-CG1 3.47Å; L164-I168 PolarHBondContact O-N 3.43Å; K165-I168 PolarHBondContact O-N 3.17Å; I168-S170 PolarHBondContact O-N 3.36Å; I168-H171 WeakPolarHBondContact O-CB 3.38Å; I168-H171 PolarHBondContact O-N 2.86Å; I168-T172 HydrophobicContact CG2-CG2 4.37Å; I168-T172 PolarHBondContact O-N 2.88Å; I168-T172 PolarHBondContact O-OG1 3.12Å
169R77.3Confident81.1Confident63 Ų6356 Ų5624%0.23833%0.328CS..Hα-helixtrans-64-19.5175.4-57.417280.9131.79.7113.8K165 M166 H167 H171 L173 S185K165-R169 WeakPolarHBondContact O-CG 3.49Å; M166-R169 WeakPolarHBondContact O-CB 3.42Å; M166-R169 PolarHBondContact O-N 3.19Å; H167-R169 PolarHBondContact O-N 3.31Å; R169-H171 VanDerWaalsContact C-N 3.27Å; R169-L173 PolarHBondContact O-N 2.81Å; R169-L173 VanDerWaalsContact O-N 3.16Å; R169-S185 PolarHBondContact NE-O 2.92Å; R169-S185 WeakPolarHBondContact O-CA 3.4Å; R169-S185 WeakPolarHBondContact O-CB 3.44Å
170S76.1Confident80.9Confident59 Ų5953.8 Ų53.841%0.41332%0.316SS..Hα-helixtrans-72.2-23.6170.971.10000112.5H167 I168H167-S170 WeakPolarHBondContact O-CB 3.34Å; H167-S170 PolarHBondContact O-N 3.5Å; H167-S170 PolarHBondContact O-OG 3.12Å; I168-S170 PolarHBondContact O-N 3.36Å
171H78.4Confident80.4Confident76 Ų7654 Ų5435%0.35233%0.326SS..Hα-helixtrans-87.2-34.1176.6-60.5-58.6000112.2H153 H167 I168 R169H153-H171 HydrophobicContact CB-CB 4.37Å; H167-H171 AromaticContact CE1-CE1 3.99Å; H167-H171 AromaticContact CE1-NE2 3.26Å; H167-H171 PolarHBondContact CE1-NE2 3.49Å; H167-H171 VanDerWaalsContact CE1-NE2 3.26Å; H167-H171 AromaticContact NE2-CD2 3.71Å; H167-H171 AromaticContact NE2-NE2 2.99Å; H167-H171 PolarHBondContact NE2-NE2 3.2Å; I168-H171 WeakPolarHBondContact O-CB 3.38Å; I168-H171 PolarHBondContact O-N 2.86Å; R169-H171 VanDerWaalsContact C-N 3.27Å
172T74.1Confident80.1Confident77 Ų7757.9 Ų57.947%0.47234%0.341SS..Hα-helixtrans-96.8-10.2-174.158.20000115.1I168 P174I168-T172 HydrophobicContact CG2-CG2 4.37Å; I168-T172 PolarHBondContact O-N 2.88Å; I168-T172 PolarHBondContact O-OG1 3.12Å; T172-P174 VanDerWaalsContact C-N 3.32Å
173L77.7Confident79.9Confident68 Ų6857.6 Ų57.636%0.35633%0.334SS..  trans30.359.6-179.9-58.8180000114R169 C175 A183 F184R169-L173 PolarHBondContact O-N 2.81Å; R169-L173 VanDerWaalsContact O-N 3.16Å; L173-C175 PolarHBondContact O-N 3.46Å; L173-A183 HydrophobicContact CB-CB 3.7Å; L173-A183 HydrophobicContact CD1-CB 4Å; L173-A183 HydrophobicContact CG-CB 4.49Å; L173-F184 CarbonylContact C-O 3.59Å; L173-F184 VanDerWaalsContact C-O 3.23Å; L173-F184 WeakPolarHBondContact CA-O 3.19Å
174P75Confident79.7Confident48 Ų4858.3 Ų58.331%0.31233%0.332SS..  trans-71.7-1.5-162.629.9-37.5000114.5T172T172-P174 VanDerWaalsContact C-N 3.32Å
175C81.6Confident79.5Confident7 Ų759.3 Ų59.35%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-116.1102.1-175.7-57.70000109.5L173 A183 F184 L190L173-C175 PolarHBondContact O-N 3.46Å; C175-A183 CarbonylContact O-C 3.6Å; C175-F184 HydrophobicContact CB-CB 4.29Å; C175-F184 WeakPolarHBondContact CB-O 3.31Å; C175-F184 PolarHBondContact N-O 3Å; C175-F184 VanDerWaalsContact N-O 3.14Å; C175-F184 PolarHBondContact O-N 3.33Å; C175-L190 HydrophobicContact CB-CB 4.09Å; C175-L190 HydrophobicContact CB-CD2 3.79Å
176V78.2Confident79.2Confident82 Ų8259.7 Ų59.750%0.49734%0.339SS..EExtended strand (participates in β ladder)trans-102.2138.2-177.7-174.20000110.8G181 K182 A183V176-G181 WeakPolarHBondContact CG1-O 3.44Å; V176-K182 CarbonylContact C-O 3.38Å; V176-A183 HydrophobicContact CG2-CB 4.06Å
177C81.9Confident79.1Confident1 Ų156.9 Ų56.91%0.00733%0.328CS..  trans-76.4120.8171.3-176.20000109.7T179 C180 G181 K182 F184 L190 H193C177-T179 VanDerWaalsContact C-N 3.29Å; C177-T179 PolarHBondContact O-N 3.14Å; C177-C180 VanDerWaalsContact SG-SG 3.68Å; C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.16Å; C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 WeakPolarHBondContact CB-O 3.29Å; C177-K182 PolarHBondContact N-O 3.28Å; C177-F184 HydrophobicContact CB-CE2 4.34Å; C177-L190 HydrophobicContact CB-CD1 3.65Å; C177-H193 PolarHBondContact SG-NE2 2.89Å
178T78.2Confident79Confident102 Ų10263.5 Ų63.563%0.62635%0.352SS*.THydrogen-bonded Turntrans-69.4-28.4178.751.90000112.4
179T76.7Confident79Confident95 Ų9565.5 Ų65.558%0.58336%0.363SS*.THydrogen-bonded Turntrans-74-35.3-178.7-460000113.3C177 H197C177-T179 VanDerWaalsContact C-N 3.29Å; C177-T179 PolarHBondContact O-N 3.14Å; T179-H197 HydrophobicContact CG2-CB 4.44Å
180C80.7Confident79.3Confident54 Ų5463.1 Ų63.137%0.36536%0.355SS..THydrogen-bonded Turntrans-135.57.1-174.970.50000115.3C177 K182 H193 H197C177-C180 VanDerWaalsContact SG-SG 3.68Å; C180-K182 PolarHBondContact O-N 3.45Å; C180-K182 VanDerWaalsContact O-N 3.11Å; C180-H193 PolarHBondContact SG-NE2 3.06Å; C180-H197 PolarHBondContact SG-NE2 3.15Å
181G77.1Confident79.7Confident53 Ų5362.8 Ų62.855%0.54634%0.344SS..  trans70.31.317800000115.5V176 C177 A183V176-G181 WeakPolarHBondContact CG1-O 3.44Å; C177-G181 WeakPolarHBondContact O-CA 3.41Å; C177-G181 PolarHBondContact O-N 3.16Å; G181-A183 PolarHBondContact O-N 3.21Å
182K79.4Confident79.9Confident129 Ų12959.5 Ų59.556%0.56133%0.331SS*.  trans-68.2129.7-178.8-73.7-179.5-177.91790111.6V176 C177 C180 F184V176-K182 CarbonylContact C-O 3.38Å; C177-K182 HydrophobicContact CB-CB 4.43Å; C177-K182 WeakPolarHBondContact CB-O 3.29Å; C177-K182 PolarHBondContact N-O 3.28Å; C180-K182 PolarHBondContact O-N 3.45Å; C180-K182 VanDerWaalsContact O-N 3.11Å; K182-F184 HydrophobicContact CB-CE2 3.84Å; K182-F184 HydrophobicContact CB-CZ 4.08Å; K182-F184 WeakPolarHBondContact O-CD2 3.41Å; K182-F184 VanDerWaalsContact O-CE2 3.29Å; K182-F184 WeakPolarHBondContact O-CE2 3.43Å
183A82.1Confident80.4Confident44 Ų4457 Ų5736%0.36431%0.314SS..EExtended strand (participates in β ladder)trans-98.4143.8-178.700000112.6L173 C175 V176 G181L173-A183 HydrophobicContact CB-CB 3.7Å; L173-A183 HydrophobicContact CD1-CB 4Å; L173-A183 HydrophobicContact CG-CB 4.49Å; C175-A183 CarbonylContact O-C 3.6Å; V176-A183 HydrophobicContact CG2-CB 4.06Å; G181-A183 PolarHBondContact O-N 3.21Å
184F81.8Confident80.7Confident39 Ų3955.4 Ų55.417%0.17131%0.306CS..EExtended strand (participates in β ladder)trans-132.2144.2-176-61.4-89.5000110.8L173 C175 C177 K182 R186 L189 L190 H193L173-F184 CarbonylContact C-O 3.59Å; L173-F184 VanDerWaalsContact C-O 3.23Å; L173-F184 WeakPolarHBondContact CA-O 3.19Å; C175-F184 HydrophobicContact CB-CB 4.29Å; C175-F184 WeakPolarHBondContact CB-O 3.31Å; C175-F184 PolarHBondContact N-O 3Å; C175-F184 VanDerWaalsContact N-O 3.14Å; C175-F184 PolarHBondContact O-N 3.33Å; C177-F184 HydrophobicContact CB-CE2 4.34Å; K182-F184 HydrophobicContact CB-CE2 3.84Å; K182-F184 HydrophobicContact CB-CZ 4.08Å; K182-F184 WeakPolarHBondContact O-CD2 3.41Å; K182-F184 VanDerWaalsContact O-CE2 3.29Å; K182-F184 WeakPolarHBondContact O-CE2 3.43Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.11Å; F184-L189 HydrophobicContact CB-CB 4.19Å; F184-L189 HydrophobicContact CD1-CB 3.8Å; F184-L189 HydrophobicContact CG-CB 4.29Å; F184-L190 HydrophobicContact CB-CB 4.17Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.66Å; F184-L190 HydrophobicContact CD2-CG 4.34Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.11Å; F184-H193 HydrophobicContact CE1-CB 3.83Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.31Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.41Å; F184-H193 AromaticContact CE2-CG 3.64Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.38Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.34Å; F184-H193 AromaticContact CZ-CG 3.18Å; F184-H193 AromaticContact CZ-ND1 3.82Å
185S81.5Confident81.2Confident28 Ų2855.5 Ų55.520%0.19630%0.299CS..SBendtrans-73.1-22.8177.858.80000113.3R169R169-S185 PolarHBondContact NE-O 2.92Å; R169-S185 WeakPolarHBondContact O-CA 3.4Å; R169-S185 WeakPolarHBondContact O-CB 3.44Å
186R78.9Confident81.3Confident95 Ų9559.8 Ų59.836%0.35833%0.326SS..SBendtrans-135.4141.1-171.9-71.2162.5155.3-175.3-1.7111.7M166 F184 W188 L189 L190M166-R186 PolarHBondContact SD-NH2 2.84Å; F184-R186 VanDerWaalsContact C-N 3.29Å; F184-R186 PolarHBondContact O-N 3.11Å; R186-W188 VanDerWaalsContact C-N 3.33Å; R186-W188 PolarHBondContact O-N 3.47Å; R186-L189 HydrophobicContact CB-CD1 3.96Å; R186-L189 HydrophobicContact CB-CG 4.15Å; R186-L189 WeakPolarHBondContact O-CB 3.39Å; R186-L189 PolarHBondContact O-N 2.8Å; R186-L189 VanDerWaalsContact O-N 3.14Å; R186-L190 PolarHBondContact O-N 2.99Å
187P79.2Confident81.5Confident37 Ų3759.7 Ų59.724%0.2432%0.32CS..Hα-helixtrans-58.6-38.3179.2-28.435.8000114.8C121 L189 L190 R191C121-P187 HydrophobicContact CB-CG 4.33Å; C121-P187 WeakPolarHBondContact SG-CB 3.44Å; C121-P187 WeakPolarHBondContact SG-CG 3.48Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.2Å; P187-L190 PolarHBondContact O-N 3.04Å; P187-R191 PolarHBondContact O-N 3.26Å
188W80.3Confident81.5Confident159 Ų15963.5 Ų63.560%0.60234%0.343SS*.Hα-helixtrans-70.5-27.6-178.867.5-98.8000112.4R186 G192R186-W188 VanDerWaalsContact C-N 3.33Å; R186-W188 PolarHBondContact O-N 3.47Å; W188-G192 PolarHBondContact O-N 3.22Å
189L83.1Confident81.8Confident59 Ų5961.2 Ų61.231%0.30934%0.34SS..Hα-helixtrans-68.7-46.7172.9-70.9171.7000110.3F184 R186 P187 R191 G192 H193F184-L189 HydrophobicContact CB-CB 4.19Å; F184-L189 HydrophobicContact CD1-CB 3.8Å; F184-L189 HydrophobicContact CG-CB 4.29Å; R186-L189 HydrophobicContact CB-CD1 3.96Å; R186-L189 HydrophobicContact CB-CG 4.15Å; R186-L189 WeakPolarHBondContact O-CB 3.39Å; R186-L189 PolarHBondContact O-N 2.8Å; R186-L189 VanDerWaalsContact O-N 3.14Å; P187-L189 VanDerWaalsContact C-N 3.29Å; P187-L189 PolarHBondContact O-N 3.2Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 2.86Å; L189-G192 PolarHBondContact O-N 3.22Å; L189-H193 WeakPolarHBondContact O-CB 3.39Å; L189-H193 PolarHBondContact O-N 3.44Å
190L84.4Confident82.1Confident14 Ų1460.6 Ų60.67%0.07333%0.33CS..Hα-helixtrans-58.3-43174.3173.260.1000111.1C175 C177 F184 R186 P187 H193 I194C175-L190 HydrophobicContact CB-CB 4.09Å; C175-L190 HydrophobicContact CB-CD2 3.79Å; C177-L190 HydrophobicContact CB-CD1 3.65Å; F184-L190 HydrophobicContact CB-CB 4.17Å; F184-L190 HydrophobicContact CD2-CB 3.84Å; F184-L190 HydrophobicContact CD2-CD1 3.66Å; F184-L190 HydrophobicContact CD2-CG 4.34Å; F184-L190 HydrophobicContact CE2-CD1 3.83Å; F184-L190 HydrophobicContact CG-CB 4.11Å; R186-L190 PolarHBondContact O-N 2.99Å; P187-L190 PolarHBondContact O-N 3.04Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.38Å; L190-H193 PolarHBondContact O-N 3.07Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.13Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.42Å
191R82.8Confident82.3Confident52 Ų5265.9 Ų65.920%0.19634%0.343CS..Hα-helixtrans-64.3-43.9178.5-167.1177.1-56-165.6-2.5113.1Q117 P187 L189 H193 I194 R195Q117-R191 PolarHBondContact O-NE 3.34Å; Q117-R191 PolarHBondContact O-NH1 3.45Å; Q117-R191 PolarHBondContact O-NH2 3.4Å; P187-R191 PolarHBondContact O-N 3.26Å; L189-R191 VanDerWaalsContact C-N 3.29Å; L189-R191 PolarHBondContact O-N 2.86Å; R191-H193 VanDerWaalsContact C-N 3.27Å; R191-H193 PolarHBondContact O-N 3.03Å; R191-I194 PolarHBondContact O-N 3.06Å; R191-R195 PolarHBondContact O-N 3.1Å
192G83.4Confident82.7Confident7 Ų764.6 Ų64.67%0.07232%0.324CS..Hα-helixtrans-61.2-40172.900000111.5W188 L189 R195W188-G192 PolarHBondContact O-N 3.22Å; L189-G192 PolarHBondContact O-N 3.22Å; G192-R195 WeakPolarHBondContact O-CB 3.48Å; G192-R195 PolarHBondContact O-N 3.33Å
193H85.1Confident83.1Confident24 Ų2459.1 Ų59.111%0.11130%0.3CS..Hα-helixtrans-63.6-40.7175.3168.162.6000113.3C177 C180 F184 L189 L190 R191 R195 T196 H197C177-H193 PolarHBondContact SG-NE2 2.89Å; C180-H193 PolarHBondContact SG-NE2 3.06Å; F184-H193 HydrophobicContact CE1-CB 3.83Å; F184-H193 HydrophobicContact CE2-CB 3.9Å; F184-H193 AromaticContact CE2-CD2 3.31Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.41Å; F184-H193 AromaticContact CE2-CG 3.64Å; F184-H193 HydrophobicContact CZ-CB 3.35Å; F184-H193 AromaticContact CZ-CD2 3.38Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.34Å; F184-H193 AromaticContact CZ-CG 3.18Å; F184-H193 AromaticContact CZ-ND1 3.82Å; L189-H193 WeakPolarHBondContact O-CB 3.39Å; L189-H193 PolarHBondContact O-N 3.44Å; L190-H193 CarbonylContact O-C 3.52Å; L190-H193 WeakPolarHBondContact O-CB 3.38Å; L190-H193 PolarHBondContact O-N 3.07Å; R191-H193 VanDerWaalsContact C-N 3.27Å; R191-H193 PolarHBondContact O-N 3.03Å; H193-R195 PolarHBondContact O-N 2.78Å; H193-T196 PolarHBondContact ND1-OG1 2.59Å; H193-T196 WeakPolarHBondContact O-CA 3.39Å; H193-T196 VanDerWaalsContact O-CB 3.27Å; H193-T196 WeakPolarHBondContact O-CB 3.49Å; H193-T196 WeakPolarHBondContact O-CG2 3.32Å; H193-T196 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-OG1 2.84Å; H193-H197 AromaticContact CE1-NE2 3.49Å; H193-H197 PolarHBondContact CE1-NE2 3.48Å; H193-H197 AromaticContact NE2-CD2 3.89Å; H193-H197 AromaticContact NE2-NE2 3.3Å; H193-H197 PolarHBondContact NE2-NE2 2.81Å
194I82.8Confident83.3Confident35 Ų3559.9 Ų59.918%0.17930%0.303CS..Hα-helixtrans-60.6-30179-74163.2000112M119 L190 R191 T196 H197 T198M119-I194 HydrophobicContact CE-CD1 3.18Å; L190-I194 HydrophobicContact CD1-CD1 3.91Å; L190-I194 HydrophobicContact CD1-CG1 4.13Å; L190-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 WeakPolarHBondContact O-CG1 3.49Å; L190-I194 PolarHBondContact O-N 3.42Å; R191-I194 PolarHBondContact O-N 3.06Å; I194-T196 PolarHBondContact O-N 2.94Å; I194-T196 VanDerWaalsContact O-N 3.12Å; I194-H197 WeakPolarHBondContact O-CA 3.38Å; I194-H197 WeakPolarHBondContact O-CB 3.4Å; I194-H197 PolarHBondContact O-N 3.46Å; I194-T198 HydrophobicContact CG2-CG2 4.22Å; I194-T198 PolarHBondContact O-N 2.76Å; I194-T198 VanDerWaalsContact O-N 3.09Å
195R85.6Confident83.6Confident49 Ų4958.5 Ų58.519%0.18530%0.298CS..Hα-helixtrans-61.4-20.2172.3-61.1-179.7-175127.25.3113.8R191 G192 H193 H197 T198 G199 E200 A213 D214R191-R195 PolarHBondContact O-N 3.1Å; G192-R195 WeakPolarHBondContact O-CB 3.48Å; G192-R195 PolarHBondContact O-N 3.33Å; H193-R195 PolarHBondContact O-N 2.78Å; R195-H197 VanDerWaalsContact C-N 3.28Å; R195-T198 WeakPolarHBondContact CA-OG1 3.41Å; R195-G199 WeakPolarHBondContact O-CA 3.43Å; R195-G199 PolarHBondContact O-N 3.15Å; R195-E200 HydrophobicContact CG-CB 4.27Å; R195-A213 HydrophobicContact CB-CB 4.03Å; R195-A213 WeakPolarHBondContact CD-O 3.4Å; R195-A213 PolarHBondContact NH1-O 2.91Å; R195-D214 IonicContact NH1-OD1 3.46Å; R195-D214 PolarHBondContact NH1-OD1 2.89Å
196T84.2Confident83.9Confident97 Ų9760.6 Ų60.660%0.59531%0.311SS*.Hα-helixtrans-74.3-21.517371.10000112.7H193 I194H193-T196 PolarHBondContact ND1-OG1 2.59Å; H193-T196 WeakPolarHBondContact O-CA 3.39Å; H193-T196 VanDerWaalsContact O-CB 3.27Å; H193-T196 WeakPolarHBondContact O-CB 3.49Å; H193-T196 WeakPolarHBondContact O-CG2 3.32Å; H193-T196 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-OG1 2.84Å; I194-T196 PolarHBondContact O-N 2.94Å; I194-T196 VanDerWaalsContact O-N 3.12Å
197H81.8Confident84.3Confident80 Ų8061.9 Ų61.937%0.3732%0.321SS..Hα-helixtrans-87.6-42.1172.4-65.4-58000111.8T179 C180 H193 I194 R195T179-H197 HydrophobicContact CG2-CB 4.44Å; C180-H197 PolarHBondContact SG-NE2 3.15Å; H193-H197 AromaticContact CE1-NE2 3.49Å; H193-H197 PolarHBondContact CE1-NE2 3.48Å; H193-H197 AromaticContact NE2-CD2 3.89Å; H193-H197 AromaticContact NE2-NE2 3.3Å; H193-H197 PolarHBondContact NE2-NE2 2.81Å; I194-H197 WeakPolarHBondContact O-CA 3.38Å; I194-H197 WeakPolarHBondContact O-CB 3.4Å; I194-H197 PolarHBondContact O-N 3.46Å; R195-H197 VanDerWaalsContact C-N 3.28Å
198T83.3Confident84.7Confident81 Ų8162 Ų6250%0.49732%0.322SS..Hα-helixtrans-83.5-18.2-177.4630000113.7I194 R195 E200I194-T198 HydrophobicContact CG2-CG2 4.22Å; I194-T198 PolarHBondContact O-N 2.76Å; I194-T198 VanDerWaalsContact O-N 3.09Å; R195-T198 WeakPolarHBondContact CA-OG1 3.41Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 WeakPolarHBondContact OG1-CG 3.32Å; T198-E200 PolarHBondContact OG1-N 3.18Å
199G83.2Confident85Confident54 Ų5462.9 Ų62.956%0.55734%0.339SS*.  trans74.54.8-175.100000114.3R195 R201R195-G199 WeakPolarHBondContact O-CA 3.43Å; R195-G199 PolarHBondContact O-N 3.15Å; G199-R201 PolarHBondContact O-N 3.35Å
200E83.9Confident85.2Confident82 Ų8267.6 Ų67.638%0.38335%0.353SS..  trans-60.8129.6-179.9-75.7-177.4-175.700112.3Q117 R195 T198 P202Q117-E200 PolarHBondContact NE2-OE1 3.29Å; R195-E200 HydrophobicContact CG-CB 4.27Å; T198-E200 PolarHBondContact O-N 3.15Å; T198-E200 WeakPolarHBondContact OG1-CG 3.32Å; T198-E200 PolarHBondContact OG1-N 3.18Å; E200-P202 WeakPolarHBondContact O-CD 3.27Å
201R85.2Confident85.4Confident166 Ų16668.1 Ų68.163%0.62636%0.359SS*.  trans-126.374.5179.3-72.4176.3145.4172.1-4.4110.9G199 F203 A211 F212G199-R201 PolarHBondContact O-N 3.35Å; R201-F203 PolarHBondContact O-N 3.37Å; R201-F203 VanDerWaalsContact O-N 3.17Å; R201-A211 HydrophobicContact CB-CB 3.62Å; R201-A211 VanDerWaalsContact CD-O 3.24Å; R201-A211 WeakPolarHBondContact CD-O 3.47Å; R201-A211 PolarHBondContact NE-O 3.21Å; R201-A211 VanDerWaalsContact NE-O 3.15Å; R201-F212 CarbonylContact C-O 3.6Å; R201-F212 WeakPolarHBondContact CA-O 3.27Å
202P85.1Confident85.5Confident25 Ų2567.3 Ų67.316%0.16236%0.357CS..  trans-73.8-4.4-172.429.4-35.4000114.4A114 E200A114-P202 HydrophobicContact CB-CB 3.67Å; E200-P202 WeakPolarHBondContact O-CD 3.27Å
203F86.8Confident85.5Confident14 Ų1468 Ų686%0.06136%0.362CS..EExtended strand (participates in β ladder)trans-11495.3-176.8-54.1-68000110.8Y113 R201 A211 F212 A213 D214 R215 L218Y113-F203 HydrophobicContact CD1-CD1 4.07Å; Y113-F203 AromaticContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CD1-CE1 3.72Å; Y113-F203 HydrophobicContact CE1-CD1 4.24Å; Y113-F203 HydrophobicContact CE1-CE1 4.02Å; R201-F203 PolarHBondContact O-N 3.37Å; R201-F203 VanDerWaalsContact O-N 3.17Å; F203-A211 CarbonylContact O-C 3.59Å; F203-A211 WeakPolarHBondContact O-CA 3.45Å; F203-F212 HydrophobicContact CB-CB 4.41Å; F203-F212 WeakPolarHBondContact CB-O 3.48Å; F203-F212 WeakPolarHBondContact CD2-O 3.49Å; F203-F212 PolarHBondContact N-O 2.86Å; F203-F212 VanDerWaalsContact N-O 3.12Å; F203-F212 PolarHBondContact O-N 3.43Å; F203-A213 WeakPolarHBondContact CE2-O 3.34Å; F203-D214 VanDerWaalsContact CD2-C 3.48Å; F203-R215 HydrophobicContact CD1-CG 3.67Å; F203-R215 HydrophobicContact CD2-CG 4.28Å; F203-R215 HydrophobicContact CE1-CG 3.3Å; F203-R215 HydrophobicContact CE2-CG 3.96Å; F203-R215 HydrophobicContact CG-CG 4.16Å; F203-R215 HydrophobicContact CZ-CG 3.47Å; F203-R215 VanDerWaalsContact CZ-CG 3.47Å; F203-L218 HydrophobicContact CB-CB 4.18Å; F203-L218 HydrophobicContact CB-CD2 3.86Å
204S87.6Confident85.4Confident60 Ų6069.6 Ų69.642%0.4237%0.371SS..EExtended strand (participates in β ladder)trans-86.1146.6178.9-57.70000112.2
205C88.3Confident85.5Confident10 Ų1073.1 Ų73.17%0.06838%0.382CS..  trans-77.4132.6169.9-173.60000109.5H207 C208 R210 L218 H221 H225C205-H207 VanDerWaalsContact C-N 3.27Å; C205-H207 PolarHBondContact O-N 3.04Å; C205-H207 PolarHBondContact SG-N 2.93Å; C205-C208 WeakPolarHBondContact CB-O 3.24Å; C205-C208 VanDerWaalsContact SG-SG 3.69Å; C205-R210 WeakPolarHBondContact CB-O 3.37Å; C205-R210 PolarHBondContact N-O 3.27Å; C205-L218 HydrophobicContact CB-CD1 4.11Å; C205-H221 PolarHBondContact SG-NE2 3.33Å; C205-H225 PolarHBondContact SG-NE2 3.05Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å
206P87Confident85.4Confident72 Ų7275 Ų7547%0.46840%0.403SS..SBendtrans-74.3-18.3175.530.5-35000112.8P109 L222P109-P206 HydrophobicContact CB-CB 4.24Å; P109-P206 HydrophobicContact CB-CG 3.79Å; P206-L222 HydrophobicContact CG-CD2 4.33Å
207H86.5Confident85.5Confident122 Ų12274.3 Ų74.357%0.56540%0.395SS*.SBendtrans-101.3-8.7-176.2-55.7-60.5000113.6C205C205-H207 VanDerWaalsContact C-N 3.27Å; C205-H207 PolarHBondContact O-N 3.04Å; C205-H207 PolarHBondContact SG-N 2.93Å
208C88.3Confident85.8Confident40 Ų4070.7 Ų70.727%0.2738%0.379SS..SBendtrans-159168.1175.569.50000112.1C205 R210 H221C205-C208 WeakPolarHBondContact CB-O 3.24Å; C205-C208 VanDerWaalsContact SG-SG 3.69Å; C208-R210 PolarHBondContact O-N 2.83Å; C208-H221 PolarHBondContact SG-NE2 3.04Å
209N87.1Confident85.9Confident177 Ų17775.9 Ų75.995%0.94739%0.389SS*.SBendtrans-74.218.1-177.5-62.2-26.2000114.7
210R86.6Confident86Confident159 Ų15974.2 Ų74.260%0.637%0.37SS*.  trans-86.7131.8178.2-76-176165.7177.2-1.1111.2C205 C208 F212C205-R210 WeakPolarHBondContact CB-O 3.37Å; C205-R210 PolarHBondContact N-O 3.27Å; C208-R210 PolarHBondContact O-N 2.83Å; R210-F212 HydrophobicContact CB-CE2 3.85Å; R210-F212 HydrophobicContact CB-CZ 3.98Å
211A88.1Confident86.1Confident24 Ų2471 Ų7120%0.19836%0.355CS..EExtended strand (participates in β ladder)trans-119.1149.3172.400000111.7R201 F203R201-A211 HydrophobicContact CB-CB 3.62Å; R201-A211 VanDerWaalsContact CD-O 3.24Å; R201-A211 WeakPolarHBondContact CD-O 3.47Å; R201-A211 PolarHBondContact NE-O 3.21Å; R201-A211 VanDerWaalsContact NE-O 3.15Å; F203-A211 CarbonylContact O-C 3.59Å; F203-A211 WeakPolarHBondContact O-CA 3.45Å
212F85.5Confident86.1Confident36 Ų3665.2 Ų65.216%0.15834%0.336CS..EExtended strand (participates in β ladder)trans-126.7147.2-172.6-59.4-90.8000110.9R201 F203 R210 D214 N217 L218 H221R201-F212 CarbonylContact C-O 3.6Å; R201-F212 WeakPolarHBondContact CA-O 3.27Å; F203-F212 HydrophobicContact CB-CB 4.41Å; F203-F212 WeakPolarHBondContact CB-O 3.48Å; F203-F212 WeakPolarHBondContact CD2-O 3.49Å; F203-F212 PolarHBondContact N-O 2.86Å; F203-F212 VanDerWaalsContact N-O 3.12Å; F203-F212 PolarHBondContact O-N 3.43Å; R210-F212 HydrophobicContact CB-CE2 3.85Å; R210-F212 HydrophobicContact CB-CZ 3.98Å; F212-D214 VanDerWaalsContact C-N 3.31Å; F212-N217 HydrophobicContact CB-CB 4.31Å; F212-N217 HydrophobicContact CD1-CB 3.88Å; F212-N217 HydrophobicContact CG-CB 4.37Å; F212-L218 HydrophobicContact CB-CB 4.3Å; F212-L218 HydrophobicContact CD2-CB 4Å; F212-L218 HydrophobicContact CD2-CD1 3.82Å; F212-L218 HydrophobicContact CE2-CD1 4.05Å; F212-L218 HydrophobicContact CG-CB 4.29Å; F212-H221 HydrophobicContact CE1-CB 3.97Å; F212-H221 HydrophobicContact CE2-CB 3.89Å; F212-H221 AromaticContact CE2-CD2 3.24Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H221 AromaticContact CE2-CG 3.69Å; F212-H221 HydrophobicContact CZ-CB 3.41Å; F212-H221 VanDerWaalsContact CZ-CB 3.41Å; F212-H221 AromaticContact CZ-CD2 3.34Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.24Å; F212-H221 AromaticContact CZ-CG 3.3Å
213A83.6Confident86Confident21 Ų2167 Ų6717%0.17434%0.342CS..SBendtrans-74.6-22.4175.500000112.7R195 F203R195-A213 HydrophobicContact CB-CB 4.03Å; R195-A213 WeakPolarHBondContact CD-O 3.4Å; R195-A213 PolarHBondContact NH1-O 2.91Å; F203-A213 WeakPolarHBondContact CE2-O 3.34Å
214D83.1Confident85.8Confident58 Ų5869.9 Ų69.931%0.3136%0.362SS..SBendtrans-135.5143.4-175.4-70.1-39.2000113.1R195 F203 F212 S216 N217 L218R195-D214 IonicContact NH1-OD1 3.46Å; R195-D214 PolarHBondContact NH1-OD1 2.89Å; F203-D214 VanDerWaalsContact CD2-C 3.48Å; F212-D214 VanDerWaalsContact C-N 3.31Å; D214-S216 VanDerWaalsContact C-N 3.32Å; D214-S216 PolarHBondContact O-N 3.24Å; D214-N217 PolarHBondContact O-N 3.31Å; D214-N217 VanDerWaalsContact O-N 3.15Å; D214-L218 PolarHBondContact O-N 3.31Å; D214-L218 VanDerWaalsContact O-N 3.15Å
215R84.1Confident85.5Confident108 Ų10870.8 Ų70.841%0.40836%0.359SS..Hα-helixtrans-59.2-39.2178.2-69.8-174.5175.9148.2-7113.3F203 N217 L218 R219F203-R215 HydrophobicContact CD1-CG 3.67Å; F203-R215 HydrophobicContact CD2-CG 4.28Å; F203-R215 HydrophobicContact CE1-CG 3.3Å; F203-R215 HydrophobicContact CE2-CG 3.96Å; F203-R215 HydrophobicContact CG-CG 4.16Å; F203-R215 HydrophobicContact CZ-CG 3.47Å; F203-R215 VanDerWaalsContact CZ-CG 3.47Å; R215-N217 PolarHBondContact O-N 3.47Å; R215-L218 PolarHBondContact O-N 3.42Å; R215-R219 PolarHBondContact O-N 3.3Å
216S84.4Confident84.7Confident90 Ų9073.3 Ų73.363%0.62938%0.381SS*.Hα-helixtrans-61.6-37.5179.6-55.80000111.3D214 A220D214-S216 VanDerWaalsContact C-N 3.32Å; D214-S216 PolarHBondContact O-N 3.24Å; S216-A220 VanDerWaalsContact O-CB 3.24Å; S216-A220 WeakPolarHBondContact O-CB 3.24Å; S216-A220 PolarHBondContact O-N 3.39Å
217N85.5Confident83.8Confident81 Ų8177.9 Ų77.943%0.43340%0.396SS..Hα-helixtrans-72-40.7177.6-68.4-13.6000111.4F212 D214 R215 A220 H221F212-N217 HydrophobicContact CB-CB 4.31Å; F212-N217 HydrophobicContact CD1-CB 3.88Å; F212-N217 HydrophobicContact CG-CB 4.37Å; D214-N217 PolarHBondContact O-N 3.31Å; D214-N217 VanDerWaalsContact O-N 3.15Å; R215-N217 PolarHBondContact O-N 3.47Å; N217-A220 PolarHBondContact O-N 2.84Å; N217-H221 WeakPolarHBondContact O-CB 3.38Å; N217-H221 PolarHBondContact O-N 3.46Å
218L88.2Confident82.8Confident4 Ų475.1 Ų75.12%0.02139%0.387CS..Hα-helixtrans-59.1-50.6171.6174.262.2000111I111 F203 C205 F212 D214 R215 A220 H221 L222I111-L218 HydrophobicContact CG2-CD2 4.23Å; F203-L218 HydrophobicContact CB-CB 4.18Å; F203-L218 HydrophobicContact CB-CD2 3.86Å; C205-L218 HydrophobicContact CB-CD1 4.11Å; F212-L218 HydrophobicContact CB-CB 4.3Å; F212-L218 HydrophobicContact CD2-CB 4Å; F212-L218 HydrophobicContact CD2-CD1 3.82Å; F212-L218 HydrophobicContact CE2-CD1 4.05Å; F212-L218 HydrophobicContact CG-CB 4.29Å; D214-L218 PolarHBondContact O-N 3.31Å; D214-L218 VanDerWaalsContact O-N 3.15Å; R215-L218 PolarHBondContact O-N 3.42Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.38Å; L218-H221 CarbonylContact O-C 3.54Å; L218-H221 WeakPolarHBondContact O-CA 3.35Å; L218-H221 WeakPolarHBondContact O-CB 3.37Å; L218-H221 PolarHBondContact O-N 3.03Å; L218-L222 HydrophobicContact CD1-CD2 4.37Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.83Å
219R86.6Confident81.7Confident191 Ų19179.6 Ų79.672%0.72140%0.402SS*.Hα-helixtrans-57.3-43.7178.6176.7177.7-83170.7-7.1111.8R215 H221 L222 Q223R215-R219 PolarHBondContact O-N 3.3Å; R219-H221 VanDerWaalsContact C-N 3.28Å; R219-H221 PolarHBondContact O-N 3.31Å; R219-L222 PolarHBondContact O-N 3.18Å; R219-Q223 PolarHBondContact O-N 2.9Å
220A84Confident81.1Confident18 Ų1878.1 Ų78.115%0.14939%0.387CS..Hα-helixtrans-67.9-30.2178.500000112.3S216 N217 L218 R242S216-A220 VanDerWaalsContact O-CB 3.24Å; S216-A220 WeakPolarHBondContact O-CB 3.24Å; S216-A220 PolarHBondContact O-N 3.39Å; N217-A220 PolarHBondContact O-N 2.84Å; L218-A220 VanDerWaalsContact C-N 3.29Å; L218-A220 PolarHBondContact O-N 3.38Å; A220-R242 HydrophobicContact CB-CG 4.49Å
221H86.3Confident80.8Confident16 Ų1674.6 Ų74.67%0.07438%0.375CS..Hα-helixtrans-73.1-38.5171.4168.155.9000112.4C205 C208 F212 N217 L218 R219 Q223 T224 H225C205-H221 PolarHBondContact SG-NE2 3.33Å; C208-H221 PolarHBondContact SG-NE2 3.04Å; F212-H221 HydrophobicContact CE1-CB 3.97Å; F212-H221 HydrophobicContact CE2-CB 3.89Å; F212-H221 AromaticContact CE2-CD2 3.24Å; F212-H221 WeakPolarHBondContact CE2-CD2 3.45Å; F212-H221 AromaticContact CE2-CG 3.69Å; F212-H221 HydrophobicContact CZ-CB 3.41Å; F212-H221 VanDerWaalsContact CZ-CB 3.41Å; F212-H221 AromaticContact CZ-CD2 3.34Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.24Å; F212-H221 AromaticContact CZ-CG 3.3Å; N217-H221 WeakPolarHBondContact O-CB 3.38Å; N217-H221 PolarHBondContact O-N 3.46Å; L218-H221 CarbonylContact O-C 3.54Å; L218-H221 WeakPolarHBondContact O-CA 3.35Å; L218-H221 WeakPolarHBondContact O-CB 3.37Å; L218-H221 PolarHBondContact O-N 3.03Å; R219-H221 VanDerWaalsContact C-N 3.28Å; R219-H221 PolarHBondContact O-N 3.31Å; H221-Q223 PolarHBondContact O-N 2.99Å; H221-Q223 VanDerWaalsContact O-N 3.15Å; H221-T224 PolarHBondContact ND1-OG1 2.98Å; H221-T224 WeakPolarHBondContact O-CB 3.4Å; H221-T224 PolarHBondContact O-N 3.26Å; H221-T224 PolarHBondContact O-OG1 3Å; H221-H225 AromaticContact CE1-CD2 3.89Å; H221-H225 AromaticContact CE1-NE2 3.35Å; H221-H225 PolarHBondContact CE1-NE2 3.35Å; H221-H225 AromaticContact NE2-CD2 3.86Å; H221-H225 AromaticContact NE2-NE2 3.31Å; H221-H225 PolarHBondContact NE2-NE2 2.74Å
222L85.3Confident80.6Confident44 Ų4479 Ų7923%0.2339%0.391CS..Hα-helixtrans-58.7-30.4176.4-67.9174.6000112.3P206 L218 R219 T224 H225 A226P206-L222 HydrophobicContact CG-CD2 4.33Å; L218-L222 HydrophobicContact CD1-CD2 4.37Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CG-CD1 4.32Å; L218-L222 HydrophobicContact CG-CG 4.43Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 2.83Å; R219-L222 PolarHBondContact O-N 3.18Å; L222-T224 PolarHBondContact O-N 3.18Å; L222-H225 PolarHBondContact O-N 3.15Å; L222-A226 PolarHBondContact O-N 3.11Å
223Q83.7Confident80.5Confident61 Ų6177.6 Ų77.629%0.28539%0.385SS..Hα-helixtrans-61.9-20.5172.6-66.3174.3-15.500113.6R219 H221 S241R219-Q223 PolarHBondContact O-N 2.9Å; H221-Q223 PolarHBondContact O-N 2.99Å; H221-Q223 VanDerWaalsContact O-N 3.15Å; Q223-S241 PolarHBondContact OE1-O 3.15Å
224T81.7Confident80.4Confident76 Ų7680.6 Ų80.647%0.46642%0.418SS..Hα-helixtrans-78.3-25.4174.371.50000112.6H221 L222H221-T224 PolarHBondContact ND1-OG1 2.98Å; H221-T224 WeakPolarHBondContact O-CB 3.4Å; H221-T224 PolarHBondContact O-N 3.26Å; H221-T224 PolarHBondContact O-OG1 3Å; L222-T224 PolarHBondContact O-N 3.18Å
225H82.1Confident80.4Confident78 Ų7882.3 Ų82.336%0.36143%0.431SS..Hα-helixtrans-78-32.4173.3-71.7-72000111.8C205 H221 L222 E227C205-H225 PolarHBondContact SG-NE2 3.05Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å; H221-H225 AromaticContact CE1-CD2 3.89Å; H221-H225 AromaticContact CE1-NE2 3.35Å; H221-H225 PolarHBondContact CE1-NE2 3.35Å; H221-H225 AromaticContact NE2-CD2 3.86Å; H221-H225 AromaticContact NE2-NE2 3.31Å; H221-H225 PolarHBondContact NE2-NE2 2.74Å; L222-H225 PolarHBondContact O-N 3.15Å; H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 3.38Å
226A72.2Confident80.4Confident64 Ų6479.1 Ų79.153%0.52943%0.425SS..THydrogen-bonded Turntrans-83.73.9-179.600000114.1L222 V228L222-A226 PolarHBondContact O-N 3.11Å; A226-V228 HydrophobicContact CB-CG2 3.71Å; A226-V228 WeakPolarHBondContact O-CG2 3.48Å; A226-V228 PolarHBondContact O-N 3.49Å
227E66.8Low80.1Confident168 Ų16878.7 Ų78.779%0.78542%0.422SS*.THydrogen-bonded Turntrans49.512.9-175.7-58.9-165161.600116.5H225 K229H225-E227 VanDerWaalsContact C-N 3.27Å; H225-E227 PolarHBondContact O-N 3.38Å; E227-K229 PolarHBondContact O-N 3.31Å
228V65.6Low79.9Confident63 Ų6382.2 Ų82.238%0.38243%0.429SS..  trans-77.785.8-173.6-155.10000110.5A226 K230A226-V228 HydrophobicContact CB-CG2 3.71Å; A226-V228 WeakPolarHBondContact O-CG2 3.48Å; A226-V228 PolarHBondContact O-N 3.49Å; V228-K230 HydrophobicContact CB-CG 4.43Å; V228-K230 HydrophobicContact CG1-CD 4.11Å; V228-K230 HydrophobicContact CG1-CG 3.59Å; V228-K230 PolarHBondContact O-N 3.13Å
229K66.4Low79.6Confident134 Ų13485 Ų8558%0.58345%0.446SS*.  trans-82.486.4172.7-62.8-179.9-172.5168.20110E227 T239E227-K229 PolarHBondContact O-N 3.31Å; K229-T239 VanDerWaalsContact CD-OG1 3.3Å; K229-T239 WeakPolarHBondContact CD-OG1 3.32Å
230K73.6Confident79.3Confident146 Ų14677.7 Ų77.764%0.63542%0.42SS*.  trans-80.5-20.2-175.5-60.5-171.2179-172.70114.8V228 F240V228-K230 HydrophobicContact CB-CG 4.43Å; V228-K230 HydrophobicContact CG1-CD 4.11Å; V228-K230 HydrophobicContact CG1-CG 3.59Å; V228-K230 PolarHBondContact O-N 3.13Å; K230-F240 PolarHBondContact N-O 3.24Å
231Y79.8Confident79.1Confident86 Ų8678 Ų7834%0.33742%0.42SS..EExtended strand (participates in β ladder)trans-113.9106.5-166.1-57.4-77.5000111.2T239 F240 M243Y231-T239 CarbonylContact O-C 3.54Å; Y231-T239 WeakPolarHBondContact O-CA 3.3Å; Y231-F240 PolarHBondContact N-O 2.83Å; Y231-F240 PolarHBondContact O-N 3.42Å; Y231-M243 HydrophobicContact CD1-CB 4.13Å; Y231-M243 HydrophobicContact CE1-CB 4Å; Y231-M243 HydrophobicContact CG-CB 4.45Å
232Q83.7Confident78.7Confident116 Ų11681.3 Ų81.354%0.54243%0.432SS..EExtended strand (participates in β ladder)trans-97140.7178.4-166.9171.923.100111.5S237 R238 T239Q232-S237 WeakPolarHBondContact CG-O 3.08Å; Q232-S237 PolarHBondContact NE2-O 2.82Å; Q232-R238 CarbonylContact C-O 3.23Å; Q232-R238 WeakPolarHBondContact CA-O 3.32Å; Q232-T239 HydrophobicContact CB-CG2 4.05Å; Q232-T239 HydrophobicContact CG-CG2 3.86Å
233C84.2Confident78.7Confident6 Ų684.3 Ų84.34%0.04145%0.446CS..  trans-74.8125.2167.1-174.90000110V235 C236 S237 R238 F240 L246C233-V235 PolarHBondContact O-N 2.85Å; C233-C236 PolarHBondContact SG-SG 3.25Å; C233-S237 VanDerWaalsContact O-CA 3.29Å; C233-S237 WeakPolarHBondContact O-CA 3.48Å; C233-S237 PolarHBondContact O-N 3.4Å; C233-R238 PolarHBondContact N-O 3.17Å; C233-F240 HydrophobicContact CB-CE2 4.25Å; C233-L246 HydrophobicContact CB-CD1 3.64Å
234G80.9Confident78.7Confident84 Ų8484.1 Ų84.187%0.86645%0.452SS*.THydrogen-bonded Turntrans-69.2-10.417900000115.2
235V82.6Confident78.8Confident94 Ų9483.2 Ų83.257%0.5744%0.444SS*.THydrogen-bonded Turntrans-100.6-42.4-177.5-176.10000112.3C233 C255C233-V235 PolarHBondContact O-N 2.85Å; V235-C255 HydrophobicContact CB-CB 3.93Å; V235-C255 HydrophobicContact CG1-CB 3.78Å
236C84.1Confident78.9Confident42 Ų4281 Ų8128%0.28444%0.435SS..THydrogen-bonded Turntrans-12515.1-170.746.80000112.4C233 R238 H249 C255C233-C236 PolarHBondContact SG-SG 3.25Å; C236-R238 PolarHBondContact O-N 2.83Å; C236-H249 PolarHBondContact SG-NE2 3.04Å; C236-C255 HydrophobicContact CB-CB 3.86Å; C236-C255 WeakPolarHBondContact CB-SG 3.24Å; C236-C255 WeakPolarHBondContact SG-CB 3.11Å; C236-C255 CovalentContact SG-SG 2.05Å; C236-C255 PolarHBondContact SG-SG 3.14Å
237S79.6Confident79.5Confident80 Ų8083.7 Ų83.756%0.55944%0.436SS*.  trans53.68.3174.6-61.50000116.4Q232 C233Q232-S237 WeakPolarHBondContact CG-O 3.08Å; Q232-S237 PolarHBondContact NE2-O 2.82Å; C233-S237 VanDerWaalsContact O-CA 3.29Å; C233-S237 WeakPolarHBondContact O-CA 3.48Å; C233-S237 PolarHBondContact O-N 3.4Å
238R80Confident80.4Confident156 Ų15682.4 Ų82.459%0.58943%0.428SS*.  trans-67.2133.5177.5-75.4-175.8177.3-177.91.8110.6Q232 C233 C236 F240Q232-R238 CarbonylContact C-O 3.23Å; Q232-R238 WeakPolarHBondContact CA-O 3.32Å; C233-R238 PolarHBondContact N-O 3.17Å; C236-R238 PolarHBondContact O-N 2.83Å; R238-F240 HydrophobicContact CB-CE2 3.84Å; R238-F240 HydrophobicContact CB-CZ 3.98Å; R238-F240 WeakPolarHBondContact O-CE2 3.43Å
239T81.6Confident81.3Confident63 Ų6380.1 Ų80.139%0.38741%0.413SS..EExtended strand (participates in β ladder)trans-103.7137.7-179.358.30000111.5K229 Y231 Q232K229-T239 VanDerWaalsContact CD-OG1 3.3Å; K229-T239 WeakPolarHBondContact CD-OG1 3.32Å; Y231-T239 CarbonylContact O-C 3.54Å; Y231-T239 WeakPolarHBondContact O-CA 3.3Å; Q232-T239 HydrophobicContact CB-CG2 4.05Å; Q232-T239 HydrophobicContact CG-CG2 3.86Å
240F81.3Confident82Confident37 Ų3777.3 Ų77.316%0.16241%0.41CS..EExtended strand (participates in β ladder)trans-123.9145-176.6-59.2-87.6000109.3K230 Y231 C233 R238 R242 L245 L246 H249K230-F240 PolarHBondContact N-O 3.24Å; Y231-F240 PolarHBondContact N-O 2.83Å; Y231-F240 PolarHBondContact O-N 3.42Å; C233-F240 HydrophobicContact CB-CE2 4.25Å; R238-F240 HydrophobicContact CB-CE2 3.84Å; R238-F240 HydrophobicContact CB-CZ 3.98Å; R238-F240 WeakPolarHBondContact O-CE2 3.43Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.2Å; F240-L245 HydrophobicContact CB-CB 4.29Å; F240-L245 HydrophobicContact CD1-CB 3.81Å; F240-L245 HydrophobicContact CG-CB 4.32Å; F240-L246 HydrophobicContact CB-CB 4.4Å; F240-L246 HydrophobicContact CD2-CB 3.87Å; F240-L246 HydrophobicContact CD2-CD1 3.85Å; F240-L246 HydrophobicContact CD2-CG 4.44Å; F240-L246 HydrophobicContact CE2-CD1 3.89Å; F240-L246 HydrophobicContact CG-CB 4.22Å; F240-H249 HydrophobicContact CE1-CB 4.05Å; F240-H249 HydrophobicContact CE2-CB 4.23Å; F240-H249 AromaticContact CE2-CD2 3.38Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.94Å; F240-H249 AromaticContact CE2-NE2 3.95Å; F240-H249 HydrophobicContact CZ-CB 3.61Å; F240-H249 AromaticContact CZ-CD2 3.23Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.38Å; F240-H249 AromaticContact CZ-CG 3.34Å; F240-H249 AromaticContact CZ-ND1 3.95Å; F240-H249 AromaticContact CZ-NE2 3.7Å
241S80.4Confident82.3Confident23 Ų2375 Ų7516%0.16141%0.412CS..SBendtrans-73.9-18.4172.552.50000112.8Q223Q223-S241 PolarHBondContact OE1-O 3.15Å
242R77.8Confident82.2Confident87 Ų8773.9 Ų73.933%0.32842%0.417SS..SBendtrans-137.2139.4-174.9-56.4-177.3-62.1146-9.9112.5A220 F240 S244 L245 L246A220-R242 HydrophobicContact CB-CG 4.49Å; F240-R242 VanDerWaalsContact C-N 3.27Å; F240-R242 PolarHBondContact O-N 3.2Å; R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.36Å; R242-L245 HydrophobicContact CB-CD1 4.23Å; R242-L245 HydrophobicContact CB-CG 4.26Å; R242-L245 WeakPolarHBondContact O-CB 3.3Å; R242-L245 PolarHBondContact O-N 2.78Å; R242-L245 VanDerWaalsContact O-N 3.13Å; R242-L246 PolarHBondContact O-N 2.93Å
243M83.6Confident81.5Confident106 Ų10670.8 Ų70.852%0.52242%0.417SS..Hα-helixtrans-59.8-36.2176.2-16917986.900113Y231 L245 L246 Q247Y231-M243 HydrophobicContact CD1-CB 4.13Å; Y231-M243 HydrophobicContact CE1-CB 4Å; Y231-M243 HydrophobicContact CG-CB 4.45Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 3.07Å; M243-L246 WeakPolarHBondContact O-CB 3.37Å; M243-L246 PolarHBondContact O-N 3.2Å; M243-Q247 PolarHBondContact O-N 3.5Å
244S83.8Confident80.6Confident57 Ų5774.7 Ų74.740%0.39944%0.443SS..Hα-helixtrans-67.5-27.9178.556.50000113.3R242 K248R242-S244 VanDerWaalsContact C-N 3.29Å; R242-S244 PolarHBondContact O-N 3.36Å; S244-K248 WeakPolarHBondContact O-CG 3.25Å; S244-K248 PolarHBondContact O-N 2.88Å; S244-K248 VanDerWaalsContact O-N 3.11Å
245L83.9Confident79.7Confident58 Ų5872.1 Ų72.130%0.30441%0.411SS..Hα-helixtrans-73.2-42.2172.6-70.1174.4000110.9F240 R242 M243 Q247 K248 H249F240-L245 HydrophobicContact CB-CB 4.29Å; F240-L245 HydrophobicContact CD1-CB 3.81Å; F240-L245 HydrophobicContact CG-CB 4.32Å; R242-L245 HydrophobicContact CB-CD1 4.23Å; R242-L245 HydrophobicContact CB-CG 4.26Å; R242-L245 WeakPolarHBondContact O-CB 3.3Å; R242-L245 PolarHBondContact O-N 2.78Å; R242-L245 VanDerWaalsContact O-N 3.13Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 3.07Å; L245-Q247 VanDerWaalsContact C-N 3.35Å; L245-K248 PolarHBondContact O-N 3.27Å; L245-H249 VanDerWaalsContact O-CB 3.3Å; L245-H249 WeakPolarHBondContact O-CB 3.42Å; L245-H249 PolarHBondContact O-N 3.47Å
246L85.5Confident78.6Confident31 Ų3172.3 Ų72.316%0.16242%0.417CS..Hα-helixtrans-58.8-45.9172.3172.661.4000111.3C233 F240 R242 M243 K248 H249 S250C233-L246 HydrophobicContact CB-CD1 3.64Å; F240-L246 HydrophobicContact CB-CB 4.4Å; F240-L246 HydrophobicContact CD2-CB 3.87Å; F240-L246 HydrophobicContact CD2-CD1 3.85Å; F240-L246 HydrophobicContact CD2-CG 4.44Å; F240-L246 HydrophobicContact CE2-CD1 3.89Å; F240-L246 HydrophobicContact CG-CB 4.22Å; R242-L246 PolarHBondContact O-N 2.93Å; M243-L246 WeakPolarHBondContact O-CB 3.37Å; M243-L246 PolarHBondContact O-N 3.2Å; L246-K248 PolarHBondContact O-N 2.79Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CB 3.4Å; L246-H249 PolarHBondContact O-N 2.94Å; L246-S250 PolarHBondContact O-N 3.32Å; L246-S250 PolarHBondContact O-OG 2.88Å
247Q85.3Confident77.2Confident120 Ų12076 Ų7656%0.56144%0.439SS*.Hα-helixtrans-63.3-41178.4-77.7-156.3-33.800112.8M243 L245 H249 S250 S251M243-Q247 PolarHBondContact O-N 3.5Å; L245-Q247 VanDerWaalsContact C-N 3.35Å; Q247-H249 VanDerWaalsContact C-N 3.32Å; Q247-H249 PolarHBondContact O-N 2.72Å; Q247-S250 WeakPolarHBondContact CA-OG 3.23Å; Q247-S250 PolarHBondContact O-N 2.89Å; Q247-S250 PolarHBondContact O-OG 3.42Å; Q247-S251 VanDerWaalsContact O-CB 3.25Å; Q247-S251 WeakPolarHBondContact O-CB 3.4Å; Q247-S251 PolarHBondContact O-N 3.04Å; Q247-S251 PolarHBondContact O-OG 3.07Å; Q247-S251 VanDerWaalsContact O-OG 3.07Å
248K84.8Confident75.8Confident141 Ų14180.9 Ų80.961%0.61346%0.457SS*.Hα-helixtrans-60.6-45.3173.4-76.5179.8-178.8-167.50111.1S244 L245 L246 S251 S252S244-K248 WeakPolarHBondContact O-CG 3.25Å; S244-K248 PolarHBondContact O-N 2.88Å; S244-K248 VanDerWaalsContact O-N 3.11Å; L245-K248 PolarHBondContact O-N 3.27Å; L246-K248 PolarHBondContact O-N 2.79Å; K248-S251 WeakPolarHBondContact CA-OG 3.47Å; K248-S251 PolarHBondContact O-N 3.35Å; K248-S251 PolarHBondContact O-OG 3.17Å; K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 3.29Å; K248-S252 PolarHBondContact O-N 2.79Å; K248-S252 PolarHBondContact O-OG 2.78Å
249H84Confident74Confident16 Ų1680.6 Ų80.67%0.07450%0.503CS..Hα-helixtrans-64.2-39.9178.4172.865.5000113.4C236 F240 L245 L246 Q247 S251 S252 C255C236-H249 PolarHBondContact SG-NE2 3.04Å; F240-H249 HydrophobicContact CE1-CB 4.05Å; F240-H249 HydrophobicContact CE2-CB 4.23Å; F240-H249 AromaticContact CE2-CD2 3.38Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.38Å; F240-H249 AromaticContact CE2-CG 3.94Å; F240-H249 AromaticContact CE2-NE2 3.95Å; F240-H249 HydrophobicContact CZ-CB 3.61Å; F240-H249 AromaticContact CZ-CD2 3.23Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.38Å; F240-H249 AromaticContact CZ-CG 3.34Å; F240-H249 AromaticContact CZ-ND1 3.95Å; F240-H249 AromaticContact CZ-NE2 3.7Å; L245-H249 VanDerWaalsContact O-CB 3.3Å; L245-H249 WeakPolarHBondContact O-CB 3.42Å; L245-H249 PolarHBondContact O-N 3.47Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CB 3.4Å; L246-H249 PolarHBondContact O-N 2.94Å; Q247-H249 VanDerWaalsContact C-N 3.32Å; Q247-H249 PolarHBondContact O-N 2.72Å; H249-S251 VanDerWaalsContact C-N 3.35Å; H249-S252 PolarHBondContact O-OG 3.34Å; H249-C255 PolarHBondContact CE1-SG 3.28Å; H249-C255 PolarHBondContact NE2-SG 3.48Å
250S80.9Confident73.6Confident75 Ų7581.5 Ų81.552%0.52451%0.509SS..Hα-helixtrans-70.6-34174.964.20000111.7L246 Q247L246-S250 PolarHBondContact O-N 3.32Å; L246-S250 PolarHBondContact O-OG 2.88Å; Q247-S250 WeakPolarHBondContact CA-OG 3.23Å; Q247-S250 PolarHBondContact O-N 2.89Å; Q247-S250 PolarHBondContact O-OG 3.42Å
251S81.3Confident73.2Confident96 Ų9683.8 Ų83.867%0.67153%0.527SS*.Hα-helixtrans-76.9-23.5177.669.40000113.7Q247 K248 H249 G253Q247-S251 VanDerWaalsContact O-CB 3.25Å; Q247-S251 WeakPolarHBondContact O-CB 3.4Å; Q247-S251 PolarHBondContact O-N 3.04Å; Q247-S251 PolarHBondContact O-OG 3.07Å; Q247-S251 VanDerWaalsContact O-OG 3.07Å; K248-S251 WeakPolarHBondContact CA-OG 3.47Å; K248-S251 PolarHBondContact O-N 3.35Å; K248-S251 PolarHBondContact O-OG 3.17Å; H249-S251 VanDerWaalsContact C-N 3.35Å; S251-G253 PolarHBondContact O-N 3.1Å
252S77.4Confident72.8Confident63 Ų6387.2 Ų87.244%0.44155%0.547SS..THydrogen-bonded Turntrans-78.95.7-176.3670000113.4K248 H249 C254K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 3.29Å; K248-S252 PolarHBondContact O-N 2.79Å; K248-S252 PolarHBondContact O-OG 2.78Å; H249-S252 PolarHBondContact O-OG 3.34Å; S252-C254 PolarHBondContact O-N 3.03Å; S252-C254 PolarHBondContact O-SG 3.23Å; S252-C254 VanDerWaalsContact O-SG 3.32Å; S252-C254 PolarHBondContact OG-SG 3.48Å
253G67.7Low72.5Confident52 Ų5287.2 Ų87.254%0.53656%0.56SS.*  trans63.50.4177.800000115S251 C255 S256S251-G253 PolarHBondContact O-N 3.1Å; G253-C255 PolarHBondContact O-N 2.05Å; G253-C255 VanDerWaalsContact O-N 3.14Å; G253-S256 PolarHBondContact O-OG 3.43Å
254C65.5Low71.8Confident88 Ų8886 Ų8660%0.59556%0.562SS**  trans-72.8-3.8-172.7-64.90000114.4S252S252-C254 PolarHBondContact O-N 3.03Å; S252-C254 PolarHBondContact O-SG 3.23Å; S252-C254 VanDerWaalsContact O-SG 3.32Å; S252-C254 PolarHBondContact OG-SG 3.48Å
255C62.2Low71Confident29 Ų2987.9 Ų87.920%0.19657%0.573CS.*  trans-10469.1168.8-65.20000108.5V235 C236 H249 G253V235-C255 HydrophobicContact CB-CB 3.93Å; V235-C255 HydrophobicContact CG1-CB 3.78Å; C236-C255 HydrophobicContact CB-CB 3.86Å; C236-C255 WeakPolarHBondContact CB-SG 3.24Å; C236-C255 WeakPolarHBondContact SG-CB 3.11Å; C236-C255 CovalentContact SG-SG 2.05Å; C236-C255 PolarHBondContact SG-SG 3.14Å; H249-C255 PolarHBondContact CE1-SG 3.28Å; H249-C255 PolarHBondContact NE2-SG 3.48Å; G253-C255 PolarHBondContact O-N 2.05Å; G253-C255 VanDerWaalsContact O-N 3.14Å
256S59.4Low70.1Confident98 Ų9890.1 Ų90.169%0.68559%0.592SS**  trans-68.9126.1161.3-42.40000107.3G253 L258G253-S256 PolarHBondContact O-OG 3.43Å; S256-L258 PolarHBondContact O-N 3.04Å
257T55.6Low68.9Low121 Ų12194.6 Ų94.674%0.74263%0.626SS**  trans-39.2125.7172.233.90000112.9
258L50.8Low67.5Low181 Ų18192.5 Ų92.595%0.94863%0.631SS**  trans-123.2110.6153.7-91.4168.1000107.2S256S256-L258 PolarHBondContact O-N 3.04Å
259G40.7Very low66Low150 Ų15088.1 Ų88.1100%1.54663%0.633SS**  trans111.50173.900000112.9

Retrieved 259 of 259 residues in 131 ms (Link to these results)