G4LVS7_SCHMA Loading...

Fusion; RNA binding protein, putative

AlphaFold DB , UniProt , Accession G4LVS7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 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
1M44.7Very low45.1Very low252 Ų252160.6 Ų160.6100%1.24185%0.852SS**  0111.70-142.6156.7-169.200106
2A45.9Very low44.3Very low108 Ų108163.5 Ų163.589%0.89386%0.857SS**  trans71.681.2-176.300000117.6
3D45.3Very low43.9Very low149 Ų149159 Ų15980%0.79786%0.858SS**  trans-75.2158.9157.6-110.2-63.6000111.4
4Q46.4Very low43.6Very low159 Ų159155.4 Ų155.474%0.74385%0.85SS**  trans70.3105.2134.5-167.1174.947.600120.5
5F50.6Low43.7Very low203 Ų203157.8 Ų157.889%0.8985%0.854SS**  trans-142.198.3139-81-74.7000110.5
6A43.6Very low43.6Very low93 Ų93153.4 Ų153.477%0.76985%0.846SS**  trans-84.5131.1160.300000108.5
7Y44.2Very low43.1Very low226 Ų226149 Ų14989%0.88684%0.843SS**  trans-108.6111.2161-103.9-89.6000108.3
8A45.2Very low43.2Very low89 Ų89152.9 Ų152.974%0.73684%0.844SS**  trans-91.2156.4164.800000109.5
9N44.3Very low44.1Very low133 Ų133150.4 Ų150.471%0.71184%0.836SS**  trans90.290.9155.5-133.5-23.3000117.7
10M42.1Very low44.7Very low189 Ų189148.7 Ų148.793%0.93183%0.832SS**  trans-135.9117.2137.1-101.9-158.285.400109.7
11Q44.2Very low44.6Very low166 Ų166150.7 Ų150.778%0.77683%0.832SS**  trans-71.7158.2176.2-84.2164.1-4200112.9
12Q35Very low44.6Very low195 Ų195147.3 Ų147.391%0.91181%0.813SS**  trans-36.8135.6175.1-75.1163-23.300116.3
13A39.2Very low44.4Very low105 Ų105151.3 Ų151.387%0.86881%0.806SS**  trans-124.6103.9145.100000108.2
14S39.4Very low44.7Very low108 Ų108149.8 Ų149.876%0.75580%0.804SS**  trans-74.8125.6162.751.10000109
15Q44.8Very low44.5Very low192 Ų192147.8 Ų147.890%0.89780%0.803SS**  trans-163.4126.4151.2-113.1179.859.300113.1
16A43.1Very low43.8Very low88 Ų88143.5 Ų143.573%0.72781%0.805SS**  trans59.2113.314800000119.5
17G34.7Very low43.6Very low78 Ų78143 Ų14380%0.80480%0.796SS**  trans-76.2152.9177.900000115.1
18Y45.5Very low43.5Very low219 Ų219140.1 Ų140.186%0.85980%0.796SS**  trans-116.9138.8159.6-78.2-88.8000108.3
19P59.1Low43.3Very low106 Ų106145.4 Ų145.469%0.68881%0.805SS**  trans-72146.5179.330.3-33.7000111
20P56.7Low42.9Very low116 Ų116146.5 Ų146.575%0.75381%0.811SS**  trans-74.6128.6176.530.1-31.3000110.5H22P20-H22 PolarHBondContact O-N 3.32Å
21F43.5Very low42.8Very low191 Ų191141.2 Ų141.284%0.83880%0.797SS**  trans-71.7112.6167.7-90.3-91000109.6
22H43.3Very low42.9Very low180 Ų180141.2 Ų141.283%0.83380%0.797SS**  trans-85.2112.3169-122.2-91.9000108.6P20P20-H22 PolarHBondContact O-N 3.32Å
23Y42.9Very low43.2Very low193 Ų193139.2 Ų139.276%0.75779%0.792SS**PPolyproline II helixtrans-88132.4165.5-94.7-88.2000109.4T25Y23-T25 PolarHBondContact O-N 3.29Å
24P50.5Low43.6Very low116 Ų116140.8 Ų140.875%0.75379%0.785SS**PPolyproline II helixtrans-70.2120175.927.4-30.2000109.3A26P24-A26 PolarHBondContact O-N 2.85Å
25T43.3Very low43.7Very low117 Ų117142.6 Ų142.672%0.71878%0.782SS**PPolyproline II helixtrans-69.512516750.20000108.3Y23 S27Y23-T25 PolarHBondContact O-N 3.29Å; T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.48Å
26A35.9Very low43.6Very low114 Ų114136.2 Ų136.294%0.94277%0.768SS**SBendtrans-69.484175.100000110.3P24P24-A26 PolarHBondContact O-N 2.85Å
27S39.4Very low43.4Very low81 Ų81142.3 Ų142.357%0.56677%0.774SS**  trans-149.992.2164510000105.1T25T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.48Å
28D41.4Very low43.7Very low167 Ų167143 Ų14389%0.89377%0.772SS**  trans149.176.9164.1-75.9-30.9000109.1
29Q40.3Very low43.5Very low199 Ų199140 Ų14093%0.9377%0.77SS**  trans-103.584.5157.2-76.2-161.7-18.500107.9
30N37.4Very low42.7Very low157 Ų157139.9 Ų139.984%0.8477%0.772SS**  trans-157.5119.6146.4-137.7-12000112.8
31A39.9Very low41.9Very low77 Ų77143.8 Ų143.864%0.63678%0.78SS**  trans80.8136.114600000121.3
32Q44.9Very low41.8Very low166 Ų166144 Ų14478%0.77678%0.784SS**  trans83.1123.8159.8-60.9176.8-22.400114.7
33L43.1Very low41.5Very low153 Ų153139.1 Ų139.180%0.80178%0.782SS**  cis-170.4119.937.4-144.698000106.2
34L47.6Very low41.5Very low138 Ų138137.1 Ų137.172%0.72378%0.784SS**  64.1132.494.2-134.373.9000118.4
35Q41.6Very low41.6Very low146 Ų146137.2 Ų137.268%0.68279%0.785SS**  trans70.8113.5171.8-80.681.922.500118.1
36G40.7Very low41.4Very low59 Ų59136 Ų13661%0.60879%0.786SS**  98.5120.968.500000106.6
37Y40.4Very low41.6Very low216 Ų216135.8 Ų135.885%0.84779%0.785SS**  -164.6146.357.6-65.2-89000110.5
38A40.5Very low41.8Very low93 Ų93135.3 Ų135.377%0.76979%0.792SS**  trans51.8142.213900000120.8
39L41.3Very low42.2Very low155 Ų155134.3 Ų134.381%0.81279%0.792SS**  cis-172.5140-11-123.4155.4000105.7
40S43Very low42.6Very low104 Ų104130.6 Ų130.673%0.72779%0.785SS**  trans29.9113.1157.261.30000121.6
41Q39.7Very low42.7Very low198 Ų198126.6 Ų126.693%0.92578%0.781SS**  trans-80132.1151.3-87.1-157.667.500110.7
42Q40.8Very low42.9Very low196 Ų196128 Ų12892%0.91679%0.786SS**  trans-137109.6159.4-138.6175.99.600108.2
43G37.8Very low42.8Very low77 Ų77127.7 Ų127.779%0.79479%0.787SS**  trans-90.1112.7168.800000109.8
44N42.6Very low42.7Very low150 Ų150130.2 Ų130.280%0.80279%0.791SS**  trans-97.5-178.9157.4-136.79.6000106.7
45P51.7Low42.3Very low119 Ų119126.7 Ų126.777%0.77379%0.789SS**  cis-151.8173.929.635.8-10.9000118
46A39Very low42.6Very low90 Ų90124.1 Ų124.174%0.74479%0.792SS**  trans-143.1126.6153.900000111.7
47A40.9Very low42.8Very low111 Ų111129.6 Ų129.692%0.91780%0.802SS**  trans70.1120.8156.500000121.1
48G43.7Very low42.9Very low70 Ų70124.7 Ų124.772%0.72280%0.8SS**  trans143.870.8150.300000119.3
49V50.2Low42.9Very low146 Ų146124.9 Ų124.989%0.88580%0.801SS**  trans27156.3134.3-115.10000122.3
50P47.8Very low42.9Very low122 Ų122122.1 Ų122.179%0.79280%0.8SS**  -131.7178.4-7442.3-25.3000114.3
51G39.5Very low42.4Very low73 Ų73122.2 Ų122.275%0.75380%0.801SS**  trans114.7137.9160.600000113.2
52S44.4Very low42.5Very low107 Ų107124.1 Ų124.175%0.74880%0.801SS**  cis-172.4159.84.346.80000107.8
53M43.4Very low42Very low159 Ų159122.6 Ų122.678%0.78380%0.8SS**  trans88.3110.8154.9-55.5-94.3-173.500120.6
54F40.5Very low42.2Very low205 Ų205127.8 Ų127.890%0.89980%0.801SS**  trans61.6130.2133.4-90-99.7000120.2
55G39.4Very low41.9Very low65 Ų65126.7 Ų126.767%0.6780%0.795SS**  cis170158.22.800000110.8
56A47.8Very low41.3Very low91 Ų91128 Ų12875%0.75279%0.79SS**  trans62.9133.3160.500000117.8
57Q44Very low41.4Very low175 Ų175129.7 Ų129.782%0.81879%0.792SS**  cis-170.3135.620.5-117.1161.923.400109.5
58S43.6Very low41.2Very low113 Ų113127.6 Ų127.679%0.7978%0.781SS**  trans55.6145141.150.80000122.2
59A39.5Very low41Very low96 Ų96130.2 Ų130.279%0.79379%0.789SS**  cis178.1139.8-15.400000106.2
60A40.8Very low40.2Very low97 Ų97127.8 Ų127.880%0.80278%0.784SS**  trans154.597.9139.300000110.4
61S32.4Very low39.8Very low106 Ų106132.9 Ų132.974%0.74179%0.789SS**  trans-105.7144.6176.6-43.10000109.3
62Y42.5Very low39.4Very low238 Ų238136.3 Ų136.393%0.93379%0.79SS**  trans-144.5109.7148.4-62.9-73.1000108.9
63N31.1Very low39Very low165 Ų165139.8 Ų139.888%0.88280%0.795SS**  trans-136.2130.4155.8-155-55000106.6
64F41.7Very low38.6Very low185 Ų185136.9 Ų136.981%0.81179%0.79SS**  trans-105.6116.6-173.7-177.7-94.2000108.8
65D35.8Very low38.3Very low127 Ų127132.5 Ų132.568%0.67978%0.784SS**  trans-83.7144.8166.3-164.9-85.4000108.7
66Q40Very low38.5Very low146 Ų146135.2 Ų135.268%0.68279%0.793SS**  167126.1123.2-93.8-174.227.200114.6
67T39.7Very low38.1Very low126 Ų126138.3 Ų138.377%0.77380%0.796SS**  trans70.7137.2135.667.20000117.8
68G37.5Very low38.3Very low68 Ų68135.8 Ų135.870%0.70179%0.794SS**  cis165.31688.500000108.7
69S40Very low38.2Very low125 Ų125136.5 Ų136.587%0.87479%0.794SS**  trans94.990.4162.8-55.10000119.5
70A33.6Very low38.5Very low95 Ų95138.2 Ų138.279%0.78580%0.798SS**  trans-20.3136.8144.100000118.7
71Y37.6Very low38.4Very low229 Ų229141.8 Ų141.890%0.89880%0.798SS**  -166.5138.6113.455.5-85.4000111.6
72N31.9Very low39Very low145 Ų145143.3 Ų143.378%0.77580%0.803SS**  trans-90.7128-179.6179.5-43.7000109
73Q37.1Very low38.9Very low180 Ų180139.9 Ų139.984%0.84180%0.801SS**  trans-180122.3143.6-103.5173.473.500113.4
74S33.1Very low39.3Very low98 Ų98135 Ų13569%0.68579%0.79SS**  trans35.1115.4141.9-62.10000122.7
75S34.8Very low39.7Very low112 Ų112132.4 Ų132.478%0.78379%0.794SS**  trans36.4117.4132.957.90000120.7
76S43.5Very low39.5Very low123 Ų123135 Ų13586%0.8680%0.802SS**  trans-162.7129.4146.415.30000112
77I40Very low40.1Very low156 Ų156135 Ų13580%0.881%0.812SS**  trans-94.6142174.5-60.3171000108
78P47.3Very low39.9Very low122 Ų122134.7 Ų134.779%0.79281%0.812SS**  trans-88.7133.2170.232.7-29.4000112.5
79V42.5Very low40.1Very low128 Ų128140.4 Ų140.478%0.77682%0.823SS**  trans-127.8142.3167.1164.70000108.4
80C45.3Very low40.4Very low132 Ų132142.8 Ų142.889%0.89282%0.82SS**  trans-102.5129.4170-51.40000109.8
81Q39.7Very low40.6Very low171 Ų171144.5 Ų144.580%0.79982%0.824SS**  trans-98147.6179-85.9179.2-59.900112.3
82V44.1Very low40.8Very low139 Ų139138.3 Ų138.384%0.84282%0.819SS**  trans-147.4131.9135.3-170.30000109.2
83D41.8Very low41Very low165 Ų165136.7 Ų136.788%0.88283%0.826SS**SBendtrans57.7109170.9-106.9-111.1000117.5
84G39.4Very low40.8Very low63 Ų63131.3 Ų131.365%0.64982%0.82SS**  cis144.876.721.500000108.3
85S48.5Very low40.9Very low130 Ų130130.4 Ų130.491%0.90983%0.825SS**  trans173.8123.8151.7-80.60000111.2
86Q33.3Very low40.8Very low181 Ų181135 Ų13585%0.84683%0.831SS**  trans-87.2150.2-173.5-66-172.9-19.100113.3
87V51.5Low40.5Very low146 Ų146133.7 Ų133.789%0.88583%0.828SS**  trans-157.3146131.4-98.40000110.4
88P34.7Very low40.6Very low120 Ų120136.8 Ų136.878%0.77983%0.831SS**  trans-99.5150.9-161.837.4-30.9000113.1
89M41.8Very low40.4Very low189 Ų189136.4 Ų136.493%0.93183%0.829SS**  trans-163.8145.8146.9-113.8-178173.800115.3
90Q46.4Very low39.9Very low174 Ų174136.9 Ų136.981%0.81383%0.827SS**  trans-68.6164-167.1-79.3156.9-71.500116.8
91P37.6Very low39.8Very low132 Ų132140.4 Ų140.486%0.85783%0.828SS**  trans-87.6129.5177.834.9-28.7000110.9
92A43Very low39.6Very low98 Ų98137.6 Ų137.681%0.8183%0.827SS**  trans-134.7126.1169.900000110.4
93A35.8Very low39.5Very low111 Ų111134.8 Ų134.892%0.91783%0.826SS**  trans-56.6141.9166.800000111
94G33.8Very low39.4Very low68 Ų68132.6 Ų132.670%0.70182%0.824SS**  trans159.9120.8170.200000112.8
95G33.5Very low39.3Very low78 Ų78138.5 Ų138.580%0.80483%0.832SS**  trans-63.5153.8-178.100000114.4A97G95-A97 PolarHBondContact O-N 2.86Å
96F34.4Very low38.8Very low208 Ų208137.3 Ų137.391%0.91282%0.815SS**  trans-81.2101.7174.4-65.8-80.6000110.1
97A37.1Very low39Very low96 Ų96135.9 Ų135.979%0.79381%0.809SS**PPolyproline II helixtrans-102.6132.4159.500000108.9G95G95-A97 PolarHBondContact O-N 2.86Å
98Y41.3Very low38.2Very low221 Ų221138.8 Ų138.887%0.86781%0.806SS**PPolyproline II helixtrans-70.8154.2175.3-81.4-90.1000111.9
99P42.5Very low38.5Very low115 Ų115138.8 Ų138.875%0.74781%0.806SS**PPolyproline II helixtrans-78.1137.1-162.531.5-33.7000112.8
100N33.2Very low38.4Very low138 Ų138133.1 Ų133.174%0.73880%0.795SS**PPolyproline II helixtrans-94.5125.1169.7-169.3-77.9000109.5
101F42.8Very low38.3Very low205 Ų205134.4 Ų134.490%0.89980%0.804SS**  trans-84.5105.1166.1-100.2-92.1000109
102S35.5Very low38.5Very low112 Ų112131.5 Ų131.578%0.78380%0.797SS**  trans-82.7127.7168.2-59.30000110.5
103G42.4Very low38.2Very low80 Ų80136.3 Ų136.383%0.82580%0.803SS**  trans-154.5102.3169.600000110.3
104S38.9Very low38.5Very low120 Ų120134.8 Ų134.884%0.83980%0.798SS**  trans-52.8147.6-172.8-47.30000116.8
105F37.3Very low39.3Very low186 Ų186140.3 Ų140.382%0.81681%0.808SS**  -176.6118.8116.9-158.7-107000112.9
106N38.9Very low40.2Very low105 Ų105142.5 Ų142.556%0.56181%0.808SS**  trans31.5119.9148.4-68.8-38.2000121.6
107Q35.9Very low40.8Very low152 Ų152138.7 Ų138.771%0.7180%0.804SS**  94.4105.575.6-160.4-179.533.100111.6
108Y35.6Very low41.1Very low207 Ų207137.2 Ų137.281%0.81280%0.799SS**  175.4140.6119.5-109.4-90.7000111.9
109P40.8Very low41.2Very low120 Ų120135.3 Ų135.378%0.77980%0.802SS**  trans-109.6163.5-170.139.2-28.3000113.9
110G40.4Very low41Very low69 Ų69134.6 Ų134.671%0.71180%0.8SS**  trans157.3121.5153.600000118.7
111M44.5Very low41.1Very low202 Ų202132.6 Ų132.6100%0.99580%0.803SS**  trans77.7130.3150.8-50.8-175.7-176.700117.6
112G41.8Very low41.1Very low70 Ų70130 Ų13072%0.72280%0.804SS**  cis168.71242.300000110
113Q36.9Very low41Very low200 Ų200133.9 Ų133.994%0.93581%0.809SS**  trans27.9132144.6-62.1-77.95.100121.8
114G40.9Very low40.9Very low79 Ų79134.8 Ų134.881%0.81481%0.809SS**  trans165.392.6153.900000116.9
115M49.9Very low40.9Very low183 Ų183131.9 Ų131.990%0.90180%0.798SS**  trans-84.6165.3164.1-78.3-159.9-179.300110.9
116P53.3Low40.8Very low124 Ų124133.1 Ų133.181%0.80580%0.804SS**  -152.1179.156.438.6-14.3000118.3
117P47Very low40.5Very low128 Ų128132.8 Ų132.883%0.83181%0.809SS**  trans-105.6156.3-178.838.3-28.6000114.2
118G43.4Very low40.7Very low66 Ų66132.2 Ų132.268%0.6882%0.817SS**  trans172.612116700000114.1
119L42.5Very low40.5Very low180 Ų180129.5 Ų129.594%0.94282%0.816SS**  167.9147.2113-91.7155.3000113.4
120S39.9Very low40.6Very low101 Ų101132.2 Ų132.271%0.70682%0.82SS**  trans-91.2148.1-162.538.80000116
121A34.5Very low40.5Very low95 Ų95137.4 Ų137.479%0.78583%0.826SS**  trans9.3131.214300000121
122V43.2Very low40.3Very low152 Ų152136 Ų13692%0.92182%0.817SS**  trans-143.5123.5145.7172.80000109.4
123Q33.5Very low40.2Very low192 Ų192142.1 Ų142.190%0.89782%0.824SS**  trans-123.3130.6171.7174.9-177.3-1.100108.6
124A39.6Very low40.6Very low100 Ų100136.1 Ų136.183%0.82682%0.816SS**  trans-173.7139.9157.200000105.5
125G39Very low41Very low59 Ų59137.9 Ų137.961%0.60881%0.813SS**  cis148.5147.212.700000106.9
126F35.9Very low40.5Very low212 Ų212137 Ų13793%0.9381%0.811SS**  trans92.6111.7159.6-53.9-75.3000120.7
127S32.9Very low40Very low98 Ų98140.2 Ų140.269%0.68582%0.818SS**  trans-70.9154.9157-43.50000111.8
128T39.8Very low40Very low140 Ų140138.7 Ų138.786%0.85982%0.816SS**  trans-174.6133.4132.8-61.30000110
129D31.7Very low40Very low150 Ų150142.7 Ų142.780%0.80282%0.821SS**  trans-43.5142.3166.7-82.3-92.2000116.3
130M42.2Very low40.5Very low177 Ų177138.9 Ų138.987%0.87282%0.816SS**  172.1140.7116.4-102.3-167-173.400112.6
131Q37.6Very low40.9Very low178 Ų178143.6 Ų143.683%0.83282%0.824SS**  trans-44.1120.1172.7-58.5159-5400114.8
132Q40.5Very low41.4Very low172 Ų172142.5 Ų142.580%0.80482%0.822SS**  trans-165.9116.4147.2-136.2158.9-21.100113.6
133F39.4Very low41.2Very low199 Ų199143.5 Ų143.587%0.87382%0.817SS**  trans43.7113.8144.6-65.7-110.1000119.4
134G45.2Very low41.7Very low73 Ų73141.2 Ų141.275%0.75382%0.816SS**  trans-84.8-169.6162.700000113
135P49.9Very low41.7Very low117 Ų117145.1 Ų145.176%0.7682%0.82SS**  cis-123.5-168.7-23.935.4-17.2000110.9
136L40.2Very low41.9Very low163 Ų163147.6 Ų147.685%0.85383%0.827SS**  trans100.995.3171.1-50.2176000115.6
137M42.5Very low41.9Very low193 Ų193141.7 Ų141.795%0.95182%0.818SS**  trans-135.3126143.1-78.9-155.9-174.800109.8
138A46.2Very low42.2Very low96 Ų96144.9 Ų144.979%0.79383%0.827SS**  trans-86.7147.2178.300000110.5
139N44.5Very low42.1Very low149 Ų149142.1 Ų142.180%0.79783%0.826SS**  trans-87.3156.6171.8-66.4-10.5000110.9F141 G142N139-F141 PolarHBondContact O-N 3.46Å; N139-G142 PolarHBondContact O-N 3.35Å
140A53.4Low42.4Very low100 Ų100139.5 Ų139.583%0.82683%0.826SS**THydrogen-bonded Turntrans-60.818.1-163.400000118.7
141F48Very low42.3Very low201 Ų201139 Ų13988%0.88283%0.825SS**THydrogen-bonded Turntrans-130.412.5177.3-79.2-83000114.9N139 Q143N139-F141 PolarHBondContact O-N 3.46Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.01Å; F141-Q143 VanDerWaalsContact O-N 3.14Å
142G43.4Very low42.5Very low72 Ų72138.8 Ų138.874%0.74283%0.828SS**  trans64.623.2161.200000117.1N139N139-G142 PolarHBondContact O-N 3.35Å
143Q40.5Very low42.2Very low173 Ų173140 Ų14081%0.80883%0.834SS**  trans-109.6130.7173.9-68.5-159.1-2.100112.5F141F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 3.01Å; F141-Q143 VanDerWaalsContact O-N 3.14Å
144T43.4Very low42.1Very low144 Ų144135 Ų13588%0.88383%0.83SS**PPolyproline II helixtrans-81.6119.3176.669.40000109.3
145M40Very low41.8Very low182 Ų182140 Ų14090%0.89784%0.837SS**PPolyproline II helixtrans-98.8124171.9-58.9-146.4-153.300110.4
146S42.2Very low41.2Very low110 Ų110139.1 Ų139.177%0.76984%0.84SS**PPolyproline II helixtrans-63.2127.9175178.70000110.3N148S146-N148 PolarHBondContact O-N 3.45Å
147A37Very low41.3Very low88 Ų88139.3 Ų139.373%0.72784%0.836SS**SBendtrans-61.4104.3171.600000109.9
148N38.5Very low41.4Very low165 Ų165136.3 Ų136.388%0.88282%0.82SS**SBendtrans178.583.2155-85.4-33.9000107.7S146S146-N148 PolarHBondContact O-N 3.45Å
149G38.8Very low41.4Very low82 Ų82140 Ų14085%0.84582%0.82SS**  trans151.262175.400000114.1
150A37.6Very low40.9Very low96 Ų96136.4 Ų136.479%0.79382%0.819SS**  trans-15667.617200000111.5
151I39.2Very low40.4Very low165 Ų165140.1 Ų140.185%0.84682%0.824SS**  trans-144.774.3157.2-50.2177.4000106.7
152L41.6Very low39.9Very low174 Ų174135.7 Ų135.791%0.91182%0.824SS**SBendtrans-164.348.6160.5-131.882.6000111.1
153E35.8Very low39.5Very low199 Ų199135 Ų13593%0.9382%0.817SS**  trans-159.883170.4-119.5177.3163.600109.8
154A35.7Very low39.4Very low94 Ų94137 Ų13778%0.77782%0.824SS**SBendtrans-172.1103.7157.600000107.7
155I40.4Very low39.6Very low177 Ų177136.6 Ų136.691%0.90882%0.816SS**  trans13761.6168.7-63152.2000106.1
156A36.4Very low39.7Very low98 Ų98133.9 Ų133.981%0.8181%0.812SS**  trans-139.970.5166.100000106.3
157H42.8Very low39.7Very low167 Ų167134.5 Ų134.577%0.77381%0.811SS**  trans-149.7144.6157.9-132.8-93.8000108.2
158E45.1Very low39.9Very low131 Ų131134.7 Ų134.761%0.61281%0.813SS**SBendtrans89.892.6178.2-50.1-57.4124.100116.7
159Q45.7Very low39.9Very low172 Ų172136.4 Ų136.480%0.80481%0.813SS**  trans9782.9130.6-61.2173.92200118
160G34.7Very low40.2Very low74 Ų74140.3 Ų140.376%0.76381%0.813SS**  83.193.6111.800000116.6
161L41.1Very low40.5Very low179 Ų179144.7 Ų144.794%0.93782%0.817SS**  trans-166.3113.1130.7-101.6160.6000108.6
162A37.6Very low40.4Very low108 Ų108143.2 Ų143.289%0.89381%0.811SS**  trans-63.1141.6-176.900000112
163G36.5Very low40.5Very low58 Ų58139.9 Ų139.960%0.59880%0.8SS**  trans125.948.6144.200000117.9
164F37Very low40.6Very low214 Ų214137.1 Ų137.194%0.93980%0.797SS**  trans-149.5119.1151-81.6-72.5000110.6P166F164-P166 WeakPolarHBondContact O-CD 3.35Å
165N47.4Very low40.8Very low135 Ų135136.3 Ų136.372%0.72280%0.798SS**  trans-102.1112-179.6-172.4-14.2000109.4V167N165-V167 WeakPolarHBondContact OD1-CB 3.46Å; N165-V167 PolarHBondContact OD1-N 3.33Å
166P43.9Very low40.7Very low125 Ų125134.1 Ų134.181%0.81279%0.793SS**  trans-95.233.3175.136.8-33.5000113.3F164F164-P166 WeakPolarHBondContact O-CD 3.35Å
167V42.1Very low40.9Very low123 Ų123136.7 Ų136.775%0.74579%0.793SS**  trans-114.378.5175-170.90000110.2N165N165-V167 WeakPolarHBondContact OD1-CB 3.46Å; N165-V167 PolarHBondContact OD1-N 3.33Å
168A40.4Very low40.8Very low93 Ų93133.8 Ų133.877%0.76979%0.787SS**  trans-150.232.4173.100000113.6
169F39.1Very low40.3Very low201 Ų201139.1 Ų139.188%0.88280%0.802SS**SBendtrans-13021.6180-142-96.8000115.6
170L44.9Very low39.9Very low164 Ų164134.8 Ų134.886%0.85980%0.803SS**  trans-147.486.9178.7-96140.2000110.1
171Q43.1Very low40.1Very low187 Ų187135.2 Ų135.287%0.87481%0.807SS**  trans167.4112.5156.6-129.883.533.100102.9
172D37.6Very low39.9Very low134 Ų134135.2 Ų135.272%0.71781%0.807SS**  -179126.767.3-164.1-10.2000108.8
173P43.5Very low40.1Very low104 Ų104133.8 Ų133.868%0.67580%0.803SS**  trans-96.8138.8161.933.9-22.8000109.5
174T38.6Very low40.2Very low141 Ų141136.9 Ų136.987%0.86582%0.816SS**  trans91.5109.9172.177.60000116.1
175G39.4Very low40.5Very low78 Ų78130.3 Ų130.380%0.80481%0.809SS**  trans-178.667.6179.200000112.8
176T37.8Very low40.1Very low131 Ų131136.1 Ų136.180%0.80482%0.821SS**  trans-54.7127.8165.144.50000111.4
177N40.5Very low39.6Very low151 Ų151133.4 Ų133.481%0.80782%0.815SS**  trans-172.5118.3137.7-102.4-19.6000114.3
178T40.2Very low39.6Very low107 Ų107132.7 Ų132.766%0.65682%0.816SS**  63.298.4129.3-9.90000118
179R35.6Very low39.7Very low243 Ų243132 Ų13292%0.91781%0.805SS**  91.311281.1-172.7-172.7-112.2174.8-3.4112.3
180G37.7Very low40.1Very low81 Ų81130.6 Ų130.684%0.83580%0.801SS**  trans128.611514900000115
181G37.9Very low39.6Very low82 Ų82134.8 Ų134.885%0.84581%0.806SS**  trans149.368.3161.600000115.5
182L37.9Very low39.3Very low179 Ų179128.6 Ų128.694%0.93779%0.793SS**  trans-62.6140.9170.9-76.3126000112.1
183G40Very low39.1Very low78 Ų78126.1 Ų126.180%0.80480%0.799SS**  trans-16970.4172.800000112.5
184S40.4Very low39.1Very low123 Ų123131.4 Ų131.486%0.8681%0.807SS**  trans-60.7135.6174.9-59.40000112.7
185G42.1Very low39.3Very low77 Ų77131.9 Ų131.979%0.79480%0.804SS**  trans-169.6101.517100000112.9
186R38.4Very low39.5Very low257 Ų257138 Ų13897%0.9781%0.808SS**  trans-65.9158.7-178.6-64.4171.1172174.7-3.5113.2
187G35.4Very low39.4Very low68 Ų68141.3 Ų141.370%0.70181%0.812SS**  trans130.494.3152.900000112
188S41.8Very low39.1Very low108 Ų108138.1 Ų138.176%0.75582%0.815SS**  80.311591-170.30000112
189S41.9Very low38.9Very low79 Ų79136.2 Ų136.255%0.55282%0.816SS**  trans83.2116.9135.7-66.70000120
190Q47.2Very low39Very low171 Ų171130.7 Ų130.780%0.79982%0.815SS**  77.4101126.2-66.5149.3-4.400117.5
191R35.5Very low39.5Very low251 Ų251138.2 Ų138.295%0.94782%0.818SS**  55.597.1112.1-164.7-173.6-83.5-151.7-1.6114.8
192G35.1Very low39.6Very low58 Ų58140.4 Ų140.460%0.59882%0.82SS**  trans-178.762.7170.400000113.5Y194G192-Y194 PolarHBondContact O-N 3.07Å
193G35.1Very low39.6Very low82 Ų82134.5 Ų134.585%0.84580%0.803SS**  trans-78.494.3172.300000110.7
194Y43.3Very low39.6Very low215 Ų215136.5 Ų136.584%0.84380%0.804SS**  trans-82.8132.9168.4-69.7-86.6000110.1G192 K196G192-Y194 PolarHBondContact O-N 3.07Å; Y194-K196 PolarHBondContact O-N 3.46Å
195N41.4Very low39.7Very low151 Ų151138 Ų13881%0.80780%0.803SS**  trans-51.9122.9179.3-58.4-49.1000111.6
196K43.9Very low40Very low206 Ų206141.9 Ų141.990%0.89681%0.805SS**  trans-117.4103.4168.8-120.6165176.6-176.40109.4Y194Y194-K196 PolarHBondContact O-N 3.46Å
197F36Very low40.5Very low201 Ų201135.3 Ų135.388%0.88280%0.796SS**  trans-43.7140.9159.6-63.3-95.1000111.2
198G34Very low41Very low84 Ų84135 Ų13587%0.86678%0.782SS**  trans130.695.1167.800000112.9
199G35.6Very low41.1Very low67 Ų67135.7 Ų135.769%0.69178%0.782SS**  trans177.268.5174.800000112.2R201G199-R201 PolarHBondContact O-N 2.89Å
200S39.3Very low41.3Very low127 Ų127135.8 Ų135.889%0.88878%0.779SS**  trans-51.899.6167.2-55.60000110
201R47.1Very low41.3Very low239 Ų239129.6 Ų129.690%0.90275%0.752SS**  trans-116.486.4162.5-67.5-167.5-173.8-1662.5107.6G199 G203G199-R201 PolarHBondContact O-N 2.89Å; R201-G203 PolarHBondContact O-N 2.96Å
202S40.5Very low42.1Very low127 Ų127123.9 Ų123.989%0.88875%0.747SS**  trans-52.6103.6158.2-72.30000108.4
203G38.7Very low43.2Very low56 Ų56126.9 Ų126.958%0.57775%0.749SS**  trans-129.783.4174.200000108.1R201 N205R201-G203 PolarHBondContact O-N 2.96Å; G203-N205 VanDerWaalsContact C-N 3.31Å; G203-N205 PolarHBondContact O-N 2.96Å
204S39.2Very low44.3Very low119 Ų119124 Ų12483%0.83272%0.719SS**  trans-62.378.2-179.828.20000112.2
205N42.3Very low45.3Very low154 Ų154115.7 Ų115.782%0.82469%0.689SS**  trans-144.514.3171.7-84.7-65.3000114.1G203G203-N205 VanDerWaalsContact C-N 3.31Å; G203-N205 PolarHBondContact O-N 2.96Å
206L47.8Very low46.9Very low159 Ų159111.6 Ų111.683%0.83266%0.663SS**SBendtrans-79.4135.4168.7-90.477.3000109.7S208L206-S208 PolarHBondContact O-N 3.28Å
207P48.9Very low48.8Very low120 Ų120106.1 Ų106.178%0.77964%0.64SS**  trans-59.8124.4175.326.3-31.2000108.1V209P207-V209 PolarHBondContact O-N 2.93Å
208S45.9Very low51.4Low60 Ų6097.3 Ų97.342%0.4260%0.602SS.*  trans-9.4112.4173.9-1610000113.2L206 T210L206-S208 PolarHBondContact O-N 3.28Å; S208-T210 PolarHBondContact O-N 3.48Å
209V44.9Very low54.2Low123 Ų12393.5 Ų93.575%0.74556%0.562SS**  trans-36.2105.2176.6174.50000108.8P207 N211P207-V209 PolarHBondContact O-N 2.93Å; V209-N211 PolarHBondContact O-N 3.49Å; V209-N211 VanDerWaalsContact O-N 3.12Å
210T46.3Very low56.9Low82 Ų8290.3 Ų90.350%0.50353%0.529SS..  trans-66.4113.9170.946.90000106.3S208S208-T210 PolarHBondContact O-N 3.48Å
211N46.2Very low59.5Low41 Ų4185.1 Ų85.122%0.21949%0.491CS..  trans-50.2154.7165.2-78.5-20.1000110.6V209 D213 G214 E217V209-N211 PolarHBondContact O-N 3.49Å; V209-N211 VanDerWaalsContact O-N 3.12Å; N211-D213 PolarHBondContact O-N 2.96Å; N211-G214 PolarHBondContact O-N 3.12Å; N211-E217 WeakPolarHBondContact ND2-CG 3.46Å; N211-E217 PolarHBondContact ND2-OE1 3.4Å
212P53Low61.7Low131 Ų13173.8 Ų73.885%0.85145%0.448SS*.THydrogen-bonded Turntrans-52.8-26.3177.422.2-34.1000113.1G214P212-G214 PolarHBondContact O-N 3.21Å
213D57.3Low64.1Low121 Ų12168.3 Ų68.365%0.64741%0.41SS*.THydrogen-bonded Turntrans-78.7-3.2178.9-55.1-40.9000114.1N211 L215N211-D213 PolarHBondContact O-N 2.96Å; D213-L215 HydrophobicContact CB-CD1 3.97Å; D213-L215 HydrophobicContact CB-CG 4.03Å; D213-L215 PolarHBondContact O-N 3.34Å
214G60Low66.6Low21 Ų2170.3 Ų70.322%0.21641%0.407CS..  trans65.322.8-174.900000112.8N211 P212 N302N211-G214 PolarHBondContact O-N 3.12Å; P212-G214 PolarHBondContact O-N 3.21Å; G214-N302 WeakPolarHBondContact O-CA 3.42Å; G214-N302 WeakPolarHBondContact O-CB 3.41Å; G214-N302 PolarHBondContact O-N 2.98Å
215L63.5Low69.1Low40 Ų4065 Ų6521%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-87.8142.7175.2-66.9170.4000110.6D213 I301D213-L215 HydrophobicContact CB-CD1 3.97Å; D213-L215 HydrophobicContact CB-CG 4.03Å; D213-L215 PolarHBondContact O-N 3.34Å; L215-I301 HydrophobicContact CD2-CB 4.34Å; L215-I301 HydrophobicContact CD2-CG1 3.71Å
216R75.1Confident71.2Confident66 Ų6658 Ų5825%0.24933%0.332CS..EExtended strand (participates in β ladder)trans-95.2106.3170.7-70.8174.6177.4-103-6108D218 T219 A300 N302R216-D218 PolarHBondContact O-N 3.47Å; R216-T219 PolarHBondContact O-N 3.11Å; R216-A300 PolarHBondContact N-O 2.81Å; R216-N302 HydrophobicContact CG-CB 4.43Å; R216-N302 VanDerWaalsContact CZ-OD1 3.31Å; R216-N302 PolarHBondContact NE-OD1 3.09Å; R216-N302 PolarHBondContact NH2-OD1 2.77Å
217E84.4Confident72.9Confident91 Ų9157 Ų5743%0.42532%0.324SS..EExtended strand (participates in β ladder)trans-66-21.1-178.6-60-173.7145.300114.1N211 P275 V278N211-E217 WeakPolarHBondContact ND2-CG 3.46Å; N211-E217 PolarHBondContact ND2-OE1 3.4Å; E217-P275 HydrophobicContact CB-CB 4.29Å; E217-V278 WeakPolarHBondContact O-CG2 2.95Å
218D89.8Confident74.5Confident16 Ų1656.8 Ų56.89%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-96-0.1-179.365.9-10.2000113.1R216 K245 T271 Y272 V278R216-D218 PolarHBondContact O-N 3.47Å; D218-K245 IonicContact OD2-NZ 3.98Å; D218-T271 HydrophobicContact CB-CG2 4.41Å; D218-T271 CarbonylContact O-C 3.53Å; D218-T271 WeakPolarHBondContact O-CA 3.48Å; D218-Y272 PolarHBondContact O-N 3Å; D218-V278 VanDerWaalsContact C-CG2 3.5Å
219T92.5Very high76.4Confident3 Ų354.5 Ų54.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-130132.1-170.9-53.30000111.4R216 L269 V270 T271 A300R216-T219 PolarHBondContact O-N 3.11Å; T219-L269 HydrophobicContact CG2-CB 4.17Å; T219-L269 HydrophobicContact CG2-CD2 4.14Å; T219-V270 WeakPolarHBondContact CA-O 3.45Å; T219-V270 WeakPolarHBondContact CG2-O 3.02Å; T219-T271 PolarHBondContact OG1-OG1 3.5Å; T219-A300 HydrophobicContact CG2-CB 3.68Å; T219-A300 WeakPolarHBondContact O-CB 3.24Å; T219-A300 PolarHBondContact O-N 3.01Å
220I93.4Very high78.4Confident0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-100.4146.6169.655.7166.7000111V222 F238 L269 V270 Y272 V278 A281 I282 V297 K298I220-V222 HydrophobicContact CD1-CG2 3.94Å; I220-V222 HydrophobicContact CG1-CG2 4.32Å; I220-F238 HydrophobicContact CD1-CD1 3.54Å; I220-F238 HydrophobicContact CD1-CE1 3.46Å; I220-F238 VanDerWaalsContact CD1-CE1 3.46Å; I220-L269 WeakPolarHBondContact O-CA 3.39Å; I220-V270 HydrophobicContact CD1-CB 4.05Å; I220-V270 HydrophobicContact CG1-CB 3.75Å; I220-V270 WeakPolarHBondContact CG1-O 3.34Å; I220-V270 PolarHBondContact N-O 3.36Å; I220-V270 PolarHBondContact O-N 3.3Å; I220-Y272 HydrophobicContact CD1-CE2 3.71Å; I220-Y272 HydrophobicContact CG1-CD2 4.49Å; I220-Y272 HydrophobicContact CG1-CE2 3.92Å; I220-Y272 HydrophobicContact CG2-CE2 4.39Å; I220-V278 HydrophobicContact CG2-CB 4.05Å; I220-V278 HydrophobicContact CG2-CG1 3.53Å; I220-V278 HydrophobicContact CG2-CG2 4.16Å; I220-A281 HydrophobicContact CD1-CB 4.2Å; I220-I282 HydrophobicContact CG2-CG1 4.38Å; I220-V297 HydrophobicContact CB-CG1 3.92Å; I220-V297 HydrophobicContact CD1-CG1 3.76Å; I220-V297 HydrophobicContact CG1-CG1 4.41Å; I220-V297 HydrophobicContact CG2-CG1 4.07Å; I220-K298 CarbonylContact C-O 3.57Å; I220-K298 WeakPolarHBondContact CA-O 3.4Å
221F93.3Very high80.3Confident19 Ų1953.7 Ų53.78%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-101.6131.8165.4178.3-103.6000109.2F258 E267 L269 V297 K298 A300 Q304F221-F258 HydrophobicContact CD2-CE2 4.31Å; F221-F258 HydrophobicContact CE2-CD2 4.35Å; F221-F258 AromaticContact CE2-CE2 3.94Å; F221-F258 HydrophobicContact CE2-CE2 3.94Å; F221-E267 HydrophobicContact CE2-CB 4.05Å; F221-E267 HydrophobicContact CE2-CG 4.47Å; F221-E267 HydrophobicContact CZ-CB 3.98Å; F221-E267 HydrophobicContact CZ-CG 3.9Å; F221-L269 HydrophobicContact CB-CD2 3.92Å; F221-L269 HydrophobicContact CD2-CD2 3.79Å; F221-L269 HydrophobicContact CD2-CG 4.4Å; F221-L269 HydrophobicContact CG-CD2 4.36Å; F221-V297 WeakPolarHBondContact O-CA 3.38Å; F221-K298 PolarHBondContact N-O 2.96Å; F221-K298 PolarHBondContact O-N 3.34Å; F221-A300 HydrophobicContact CB-CB 4.3Å; F221-Q304 VanDerWaalsContact CD2-CD 3.46Å
222V93.1Very high82.4Confident0 Ų057.7 Ų57.70%031%0.306CS..EExtended strand (participates in β ladder)trans-119123.5-178-171.80000107.9I220 L225 F238 E267 A268 V270 I295 E296 V297I220-V222 HydrophobicContact CD1-CG2 3.94Å; I220-V222 HydrophobicContact CG1-CG2 4.32Å; V222-L225 HydrophobicContact CB-CD1 4.04Å; V222-L225 HydrophobicContact CB-CG 4.5Å; V222-L225 HydrophobicContact CG1-CD1 3.74Å; V222-L225 HydrophobicContact CG1-CD2 3.75Å; V222-L225 HydrophobicContact CG1-CG 3.69Å; V222-F238 HydrophobicContact CB-CZ 4.29Å; V222-F238 HydrophobicContact CG1-CZ 3.84Å; V222-F238 HydrophobicContact CG2-CE1 3.75Å; V222-F238 HydrophobicContact CG2-CE2 4.35Å; V222-F238 HydrophobicContact CG2-CZ 3.51Å; V222-E267 CarbonylContact O-C 3.56Å; V222-E267 VanDerWaalsContact O-CA 3.24Å; V222-E267 WeakPolarHBondContact O-CA 3.47Å; V222-A268 PolarHBondContact N-O 3.35Å; V222-A268 PolarHBondContact O-N 3.29Å; V222-V270 HydrophobicContact CG2-CG2 4.41Å; V222-I295 HydrophobicContact CG1-CB 4.35Å; V222-I295 HydrophobicContact CG1-CD1 3.92Å; V222-E296 CarbonylContact C-O 3.47Å; V222-E296 WeakPolarHBondContact CA-O 3.28Å; V222-V297 HydrophobicContact CG1-CG2 4.27Å; V222-V297 HydrophobicContact CG2-CG2 4.36Å
223S91.4Very high84.2Confident13 Ų1353.7 Ų53.79%0.09128%0.279CS..EExtended strand (participates in β ladder)trans-118.1164.9176.444.40000111.3L225 G266 E296S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.2Å; S223-G266 CarbonylContact C-O 3.4Å; S223-G266 WeakPolarHBondContact CA-O 3.46Å; S223-E296 PolarHBondContact N-O 3.33Å; S223-E296 PolarHBondContact O-N 3.34Å; S223-E296 WeakPolarHBondContact OG-CB 3.36Å; S223-E296 PolarHBondContact OG-O 3.17Å; S223-E296 PolarHBondContact OG-OE2 3.34Å; S223-E296 VanDerWaalsContact OG-OE2 3.06Å
224N90.8Very high85.8Confident98 Ų9847.9 Ų47.952%0.52425%0.248SC..SBendtrans6432.1-179.2-16234.8000115G266 K294N224-G266 PolarHBondContact N-O 2.82Å; N224-K294 PolarHBondContact ND2-O 2.97Å
225L91Very high87.3Confident7 Ų751.8 Ų51.84%0.03726%0.259CS..  trans-73.6141.6175.6-80.4170000111.4V222 S223 I229 M234 G266 A268 F290 I295V222-L225 HydrophobicContact CB-CD1 4.04Å; V222-L225 HydrophobicContact CB-CG 4.5Å; V222-L225 HydrophobicContact CG1-CD1 3.74Å; V222-L225 HydrophobicContact CG1-CD2 3.75Å; V222-L225 HydrophobicContact CG1-CG 3.69Å; S223-L225 VanDerWaalsContact C-N 3.32Å; S223-L225 PolarHBondContact O-N 3.2Å; L225-I229 HydrophobicContact CB-CD1 3.35Å; L225-I229 HydrophobicContact CD1-CD1 4.13Å; L225-I229 HydrophobicContact CD2-CD1 3.45Å; L225-I229 VanDerWaalsContact CD2-CD1 3.45Å; L225-I229 HydrophobicContact CG-CD1 3.78Å; L225-M234 HydrophobicContact CD1-CE 3.45Å; L225-M234 VanDerWaalsContact CD1-CE 3.45Å; L225-M234 HydrophobicContact CD1-SD 4.32Å; L225-M234 HydrophobicContact CD2-CE 4.25Å; L225-M234 HydrophobicContact CD2-SD 4.09Å; L225-G266 WeakPolarHBondContact CB-O 3.28Å; L225-G266 PolarHBondContact N-O 3.1Å; L225-G266 WeakPolarHBondContact O-CA 3.32Å; L225-A268 HydrophobicContact CD1-CB 3.59Å; L225-F290 HydrophobicContact CD2-CD1 3.96Å; L225-F290 HydrophobicContact CD2-CE1 3.85Å; L225-F290 HydrophobicContact CD2-CG 4.45Å; L225-F290 HydrophobicContact CD2-CZ 4.23Å; L225-I295 HydrophobicContact CD2-CG2 3.79Å; L225-I295 HydrophobicContact CG-CG2 4.37Å
226P87.4Confident88.6Confident7 Ų753.7 Ų53.75%0.04528%0.275CS..  trans-61.5160.9171.626.3-36.3000112.8N228 I229 F290 L291P226-N228 VanDerWaalsContact C-N 3.32Å; P226-N228 WeakPolarHBondContact CB-OD1 3.36Å; P226-N228 PolarHBondContact O-N 3.45Å; P226-I229 HydrophobicContact CG-CD1 3.82Å; P226-I229 HydrophobicContact CG-CG1 3.87Å; P226-I229 WeakPolarHBondContact O-CD1 3.41Å; P226-I229 WeakPolarHBondContact O-CG1 3.45Å; P226-F290 HydrophobicContact CG-CD1 4.07Å; P226-F290 HydrophobicContact CG-CE1 4.1Å; P226-L291 HydrophobicContact CG-CB 4.46Å; P226-L291 HydrophobicContact CG-CD1 4.08Å
227Q82.7Confident89.4Confident138 Ų13854.1 Ų54.165%0.64528%0.28SS*.SBendtrans-78-16.8-175-67.6178.66.900113.4I229 P264Q227-I229 VanDerWaalsContact C-N 3.31Å; Q227-I229 PolarHBondContact O-N 2.75Å; Q227-P264 HydrophobicContact CB-CG 4.05Å; Q227-P264 WeakPolarHBondContact O-CG 3.42Å
228N83.5Confident89.7Confident115 Ų11549.8 Ų49.862%0.61526%0.26SS*.SBendtrans-93.449.7-179.263.1-28.4000111.9P226P226-N228 VanDerWaalsContact C-N 3.32Å; P226-N228 WeakPolarHBondContact CB-OD1 3.36Å; P226-N228 PolarHBondContact O-N 3.45Å
229I85.2Confident89.9Confident13 Ų1350.8 Ų50.87%0.06727%0.274CS..  trans-108.6125.2-176.3-65.8179.6000112.1L225 P226 Q227 M234 I257 F290L225-I229 HydrophobicContact CB-CD1 3.35Å; L225-I229 HydrophobicContact CD1-CD1 4.13Å; L225-I229 HydrophobicContact CD2-CD1 3.45Å; L225-I229 VanDerWaalsContact CD2-CD1 3.45Å; L225-I229 HydrophobicContact CG-CD1 3.78Å; P226-I229 HydrophobicContact CG-CD1 3.82Å; P226-I229 HydrophobicContact CG-CG1 3.87Å; P226-I229 WeakPolarHBondContact O-CD1 3.41Å; P226-I229 WeakPolarHBondContact O-CG1 3.45Å; Q227-I229 VanDerWaalsContact C-N 3.31Å; Q227-I229 PolarHBondContact O-N 2.75Å; I229-M234 HydrophobicContact CD1-SD 4.42Å; I229-M234 HydrophobicContact CG2-CE 4.28Å; I229-M234 HydrophobicContact CG2-CG 3.28Å; I229-M234 HydrophobicContact CG2-SD 3.58Å; I229-M234 VanDerWaalsContact CG2-SD 3.58Å; I229-I257 HydrophobicContact CG2-CD1 4.07Å; I229-F290 HydrophobicContact CD1-CE1 3.66Å; I229-F290 HydrophobicContact CD1-CZ 4.28Å; I229-F290 HydrophobicContact CG1-CE1 4.05Å
230D86Confident89.8Confident107 Ų10755.3 Ų55.357%0.57230%0.301SS*.  trans-106.6160.5170.9-66.9-53.1000112D232 V233 M234D230-D232 PolarHBondContact O-N 3.23Å; D230-V233 PolarHBondContact O-N 3.14Å; D230-M234 WeakPolarHBondContact O-CG 3.38Å; D230-M234 PolarHBondContact O-N 3.32Å
231H86.1Confident89.8Confident81 Ų8156.7 Ų56.738%0.37531%0.31SS..Hα-helixtrans-59.4-33.5178.6-73.8-91.2000112.5K235 I255H231-K235 VanDerWaalsContact O-CB 3.3Å; H231-K235 WeakPolarHBondContact O-CB 3.3Å; H231-K235 PolarHBondContact O-N 3.47Å; H231-I255 PolarHBondContact CE1-O 3.01Å; H231-I255 VanDerWaalsContact CE1-O 3.3Å
232D90.4Very high89.7Confident124 Ų12456.4 Ų56.466%0.66331%0.312SS*.Hα-helixtrans-70.1-41.4-179.1-63.6-51.3000112.5D230 M234 K235 S236D230-D232 PolarHBondContact O-N 3.23Å; D232-M234 VanDerWaalsContact C-N 3.34Å; D232-K235 PolarHBondContact O-N 2.86Å; D232-S236 WeakPolarHBondContact O-CB 3.17Å; D232-S236 PolarHBondContact O-N 3.26Å
233V91.3Very high89.7Confident47 Ų4763.3 Ų63.329%0.28534%0.342SS..Hα-helixtrans-63.9-44.5176-1790000110.1D230 K235 S236 Q237 F290 L291D230-V233 PolarHBondContact O-N 3.14Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.35Å; V233-S236 PolarHBondContact O-N 2.74Å; V233-Q237 HydrophobicContact CG1-CG 4.49Å; V233-Q237 WeakPolarHBondContact O-CG 3.37Å; V233-Q237 PolarHBondContact O-N 3.35Å; V233-F290 HydrophobicContact CG1-CZ 4Å; V233-L291 HydrophobicContact CG1-CD1 4.21Å
234M91.3Very high89.8Confident0 Ų063.5 Ų63.50%034%0.342CS..Hα-helixtrans-60.1-45.4175.2-66-71.9-99.200110.9L225 I229 D230 D232 S236 Q237 F238 I255 A268 F290L225-M234 HydrophobicContact CD1-CE 3.45Å; L225-M234 VanDerWaalsContact CD1-CE 3.45Å; L225-M234 HydrophobicContact CD1-SD 4.32Å; L225-M234 HydrophobicContact CD2-CE 4.25Å; L225-M234 HydrophobicContact CD2-SD 4.09Å; I229-M234 HydrophobicContact CD1-SD 4.42Å; I229-M234 HydrophobicContact CG2-CE 4.28Å; I229-M234 HydrophobicContact CG2-CG 3.28Å; I229-M234 HydrophobicContact CG2-SD 3.58Å; I229-M234 VanDerWaalsContact CG2-SD 3.58Å; D230-M234 WeakPolarHBondContact O-CG 3.38Å; D230-M234 PolarHBondContact O-N 3.32Å; D232-M234 VanDerWaalsContact C-N 3.34Å; M234-S236 PolarHBondContact O-N 2.84Å; M234-Q237 PolarHBondContact O-N 2.92Å; M234-F238 HydrophobicContact CB-CD2 4.43Å; M234-F238 HydrophobicContact CE-CE2 4.13Å; M234-F238 VanDerWaalsContact O-CB 3.32Å; M234-F238 WeakPolarHBondContact O-CB 3.46Å; M234-F238 WeakPolarHBondContact O-CD2 3.3Å; M234-F238 PolarHBondContact O-N 3.09Å; M234-F238 HydrophobicContact SD-CD2 4.11Å; M234-F238 HydrophobicContact SD-CE2 3.7Å; M234-I255 HydrophobicContact CB-CD1 3.9Å; M234-I255 HydrophobicContact CB-CG2 4.09Å; M234-I255 HydrophobicContact CE-CG2 4.43Å; M234-I255 HydrophobicContact CG-CG2 4.41Å; M234-A268 HydrophobicContact CE-CB 3.34Å; M234-F290 HydrophobicContact SD-CE2 4.27Å; M234-F290 HydrophobicContact SD-CZ 3.82Å
235K91.3Very high89.9Confident103 Ų10362.7 Ų62.745%0.44833%0.334SS..Hα-helixtrans-61.3-44178.1-175.4-173.9177.4-174.30111.9H231 D232 V233 G239 I244 P253 I255H231-K235 VanDerWaalsContact O-CB 3.3Å; H231-K235 WeakPolarHBondContact O-CB 3.3Å; H231-K235 PolarHBondContact O-N 3.47Å; D232-K235 PolarHBondContact O-N 2.86Å; V233-K235 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 3.35Å; K235-G239 VanDerWaalsContact O-CA 3.26Å; K235-G239 WeakPolarHBondContact O-CA 3.15Å; K235-G239 PolarHBondContact O-N 3.21Å; K235-I244 HydrophobicContact CB-CD1 4.44Å; K235-I244 HydrophobicContact CG-CD1 4.34Å; K235-P253 HydrophobicContact CD-CG 4.28Å; K235-I255 HydrophobicContact CB-CD1 4.12Å
236S91.1Very high89.9Confident79 Ų7967 Ų6755%0.55236%0.355SS*.Hα-helixtrans-65.4-43.6-179.6-173.30000112.2D232 V233 M234 V240D232-S236 WeakPolarHBondContact O-CB 3.17Å; D232-S236 PolarHBondContact O-N 3.26Å; V233-S236 PolarHBondContact O-N 2.74Å; M234-S236 PolarHBondContact O-N 2.84Å; S236-V240 WeakPolarHBondContact O-CG2 3.18Å
237Q90.7Very high89.8Confident76 Ų7669.4 Ų69.436%0.35537%0.368SS..Hα-helixtrans-78.1-50.1-176.2-68.3-64.7-3500112V233 M234 G239 V240 F290V233-Q237 HydrophobicContact CG1-CG 4.49Å; V233-Q237 WeakPolarHBondContact O-CG 3.37Å; V233-Q237 PolarHBondContact O-N 3.35Å; M234-Q237 PolarHBondContact O-N 2.92Å; Q237-G239 PolarHBondContact O-N 2.92Å; Q237-V240 PolarHBondContact O-N 2.92Å; Q237-F290 HydrophobicContact CB-CD2 4.14Å; Q237-F290 HydrophobicContact CB-CE2 3.68Å; Q237-F290 HydrophobicContact CG-CD2 4.14Å; Q237-F290 HydrophobicContact CG-CE2 3.69Å
238F92.4Very high89.8Confident0 Ų068.7 Ų68.70%038%0.378CS..Hα-helixtrans-71.3-21.3178.8-73.5-82.2000112.6I220 V222 M234 V240 V241 I244 V270 Y272 F285 F290 I295 V297I220-F238 HydrophobicContact CD1-CD1 3.54Å; I220-F238 HydrophobicContact CD1-CE1 3.46Å; I220-F238 VanDerWaalsContact CD1-CE1 3.46Å; V222-F238 HydrophobicContact CB-CZ 4.29Å; V222-F238 HydrophobicContact CG1-CZ 3.84Å; V222-F238 HydrophobicContact CG2-CE1 3.75Å; V222-F238 HydrophobicContact CG2-CE2 4.35Å; V222-F238 HydrophobicContact CG2-CZ 3.51Å; M234-F238 HydrophobicContact CB-CD2 4.43Å; M234-F238 HydrophobicContact CE-CE2 4.13Å; M234-F238 VanDerWaalsContact O-CB 3.32Å; M234-F238 WeakPolarHBondContact O-CB 3.46Å; M234-F238 WeakPolarHBondContact O-CD2 3.3Å; M234-F238 PolarHBondContact O-N 3.09Å; M234-F238 HydrophobicContact SD-CD2 4.11Å; M234-F238 HydrophobicContact SD-CE2 3.7Å; F238-V240 VanDerWaalsContact C-N 3.28Å; F238-V240 PolarHBondContact O-N 3.09Å; F238-V241 PolarHBondContact O-N 3.47Å; F238-I244 HydrophobicContact CB-CD1 3.86Å; F238-V270 HydrophobicContact CB-CG1 4.23Å; F238-V270 HydrophobicContact CD1-CG2 4.44Å; F238-V270 HydrophobicContact CD2-CG2 4.2Å; F238-V270 HydrophobicContact CG-CG1 4.46Å; F238-V270 HydrophobicContact CG-CG2 4.19Å; F238-Y272 WeakPolarHBondContact CD1-OH 3.34Å; F238-Y272 WeakPolarHBondContact O-CE1 3.3Å; F238-Y272 PolarHBondContact O-OH 2.83Å; F238-F285 AromaticContact CD1-CD2 3.99Å; F238-F285 HydrophobicContact CD1-CD2 3.99Å; F238-F285 AromaticContact CD1-CE2 3.26Å; F238-F285 HydrophobicContact CD1-CE2 3.26Å; F238-F285 AromaticContact CD1-CZ 3.73Å; F238-F285 HydrophobicContact CD1-CZ 3.73Å; F238-F285 AromaticContact CE1-CD2 3.6Å; F238-F285 HydrophobicContact CE1-CD2 3.6Å; F238-F285 HydrophobicContact CE1-CE1 4.46Å; F238-F285 AromaticContact CE1-CE2 3.3Å; F238-F285 HydrophobicContact CE1-CE2 3.3Å; F238-F285 HydrophobicContact CE1-CG 4.32Å; F238-F285 AromaticContact CE1-CZ 3.78Å; F238-F285 HydrophobicContact CE1-CZ 3.78Å; F238-F285 HydrophobicContact CG-CE2 4.06Å; F238-F285 HydrophobicContact CG-CZ 4.1Å; F238-F285 HydrophobicContact CZ-CD2 4.4Å; F238-F285 HydrophobicContact CZ-CE2 4.12Å; F238-F285 HydrophobicContact CZ-CZ 4.19Å; F238-F290 HydrophobicContact CE2-CE2 4.19Å; F238-I295 HydrophobicContact CZ-CD1 3.88Å; F238-V297 HydrophobicContact CE1-CG2 4.4Å
239G92.2Very high89.7Confident36 Ų3672.8 Ų72.837%0.37139%0.391SS..THydrogen-bonded Turntrans-69-19.6174.300000114.6K235 Q237 V241 G242K235-G239 VanDerWaalsContact O-CA 3.26Å; K235-G239 WeakPolarHBondContact O-CA 3.15Å; K235-G239 PolarHBondContact O-N 3.21Å; Q237-G239 PolarHBondContact O-N 2.92Å; G239-V241 VanDerWaalsContact C-N 3.3Å; G239-G242 WeakPolarHBondContact CA-O 3.26Å
240V92.1Very high89.7Confident98 Ų9874.8 Ų74.859%0.59441%0.406SS*.THydrogen-bonded Turntrans-66.1-36.1175.61800000111.1S236 Q237 F238 W284S236-V240 WeakPolarHBondContact O-CG2 3.18Å; Q237-V240 PolarHBondContact O-N 2.92Å; F238-V240 VanDerWaalsContact C-N 3.28Å; F238-V240 PolarHBondContact O-N 3.09Å; V240-W284 HydrophobicContact CG1-CZ2 4.35Å
241V92.1Very high89.7Confident30 Ų3072.3 Ų72.318%0.18241%0.405CS..THydrogen-bonded Turntrans-81.5-33.1-177.4-174.80000112.3F238 G239 A281 W284 F285F238-V241 PolarHBondContact O-N 3.47Å; G239-V241 VanDerWaalsContact C-N 3.3Å; V241-A281 HydrophobicContact CB-CB 4.36Å; V241-A281 HydrophobicContact CG1-CB 3.89Å; V241-W284 HydrophobicContact CG2-CB 3.9Å; V241-W284 HydrophobicContact CG2-CD2 4.33Å; V241-W284 HydrophobicContact CG2-CG 3.7Å; V241-F285 HydrophobicContact CG2-CE2 3.88Å; V241-F285 HydrophobicContact CG2-CZ 4.46Å
242G91.6Very high89.7Confident12 Ų1273.5 Ų73.512%0.12441%0.412CS..SBendtrans-174.6166.9-175.900000113.4G239 I244G239-G242 WeakPolarHBondContact CA-O 3.26Å; G242-I244 PolarHBondContact O-N 2.88Å
243K93.1Very high89.7Confident146 Ų14668.8 Ų68.864%0.63539%0.389SS*.PPolyproline II helixtrans-72120178.3-67.1179.8-178.1175.60110.3E273K243-E273 HydrophobicContact CB-CB 4.21Å; K243-E273 WeakPolarHBondContact CB-OE2 3.32Å; K243-E273 WeakPolarHBondContact CD-OE2 3.47Å; K243-E273 PolarHBondContact O-N 3.04Å
244I92.9Very high89.6Confident17 Ų1768.1 Ų68.19%0.08738%0.383CS..BIsolated β-bridgetrans-77.5129.2176.4-58.6173.1000108.5K235 F238 G242 I246 P253 I255 V270 T271 Y272K235-I244 HydrophobicContact CB-CD1 4.44Å; K235-I244 HydrophobicContact CG-CD1 4.34Å; F238-I244 HydrophobicContact CB-CD1 3.86Å; G242-I244 PolarHBondContact O-N 2.88Å; I244-I246 PolarHBondContact O-N 2.99Å; I244-P253 HydrophobicContact CG2-CB 3.93Å; I244-I255 HydrophobicContact CD1-CD1 4.05Å; I244-I255 HydrophobicContact CG2-CD1 4.42Å; I244-I255 HydrophobicContact CG2-CG1 4.09Å; I244-V270 HydrophobicContact CD1-CG1 4.18Å; I244-V270 HydrophobicContact CG1-CG1 4.14Å; I244-V270 HydrophobicContact CG2-CG1 4.15Å; I244-T271 WeakPolarHBondContact CG2-O 3.39Å; I244-Y272 HydrophobicContact CG1-CD1 4.45Å; I244-Y272 HydrophobicContact CG1-CE1 4.18Å
245K92.5Very high89.6Confident81 Ų8168.4 Ų68.435%0.35238%0.384SS..PPolyproline II helixtrans-59.6131.1-179.5-170.4170.2-177.3163.80110.2D218 M254 T271D218-K245 IonicContact OD2-NZ 3.98Å; K245-M254 HydrophobicContact CB-CB 4.36Å; K245-M254 HydrophobicContact CB-CG 4.39Å; K245-M254 HydrophobicContact CB-SD 4.06Å; K245-M254 HydrophobicContact CD-SD 3.58Å; K245-M254 VanDerWaalsContact CD-SD 3.58Å; K245-M254 HydrophobicContact CG-CG 4.41Å; K245-M254 HydrophobicContact CG-SD 3.6Å; K245-M254 VanDerWaalsContact CG-SD 3.6Å; K245-M254 VanDerWaalsContact O-CB 3.28Å; K245-M254 WeakPolarHBondContact O-CB 3.4Å; K245-M254 WeakPolarHBondContact O-CG 3.48Å; K245-M254 PolarHBondContact O-N 2.93Å; K245-T271 HydrophobicContact CB-CG2 4.13Å; K245-T271 WeakPolarHBondContact CB-O 3.41Å; K245-T271 HydrophobicContact CD-CG2 3.77Å; K245-T271 PolarHBondContact N-O 3.12Å
246I91.5Very high89.6Confident97 Ų9767.1 Ų67.150%0.49738%0.377SS..BIsolated β-bridgetrans-96.7131.1177-59.3176.6000108.4I244 S248 G251I244-I246 PolarHBondContact O-N 2.99Å; I246-S248 PolarHBondContact O-N 2.77Å; I246-S248 VanDerWaalsContact O-N 3.15Å; I246-G251 VanDerWaalsContact CG2-O 3.3Å; I246-G251 WeakPolarHBondContact CG2-O 3.24Å
247N86.2Confident89.5Confident57 Ų5764.8 Ų64.831%0.30536%0.358SS..  trans-68.9112.9175.4-178.4-8.9000109.3K249 S250 G251 M252 M254N247-K249 PolarHBondContact O-N 3.36Å; N247-K249 PolarHBondContact OD1-N 2.85Å; N247-K249 VanDerWaalsContact OD1-N 3.13Å; N247-S250 WeakPolarHBondContact CB-OG 2.88Å; N247-S250 PolarHBondContact ND2-OG 3.3Å; N247-S250 PolarHBondContact O-N 3.19Å; N247-G251 PolarHBondContact O-N 3.2Å; N247-M252 PolarHBondContact N-O 3.22Å; N247-M254 HydrophobicContact CB-CG 4.04Å
248S81.8Confident89.4Confident124 Ų12463.2 Ų63.287%0.86735%0.35SS*.THydrogen-bonded Turntrans-56.4-21.9-177-44.60000113.9I246I246-S248 PolarHBondContact O-N 2.77Å; I246-S248 VanDerWaalsContact O-N 3.15Å
249K81.5Confident89.2Confident200 Ų20069.7 Ų69.787%0.8738%0.378SS*.THydrogen-bonded Turntrans-85.8-31.4179.3-61.6-177.5-179.1-179.10113.7N247N247-K249 PolarHBondContact O-N 3.36Å; N247-K249 PolarHBondContact OD1-N 2.85Å; N247-K249 VanDerWaalsContact OD1-N 3.13Å
250S85.3Confident88.8Confident55 Ų5573 Ų7339%0.38538%0.384SS..THydrogen-bonded Turntrans-115.3-11.6-173.766.60000114.1N247 M252N247-S250 WeakPolarHBondContact CB-OG 2.88Å; N247-S250 PolarHBondContact ND2-OG 3.3Å; N247-S250 PolarHBondContact O-N 3.19Å; S250-M252 PolarHBondContact O-N 3.35Å; S250-M252 PolarHBondContact OG-N 3.28Å
251G86.9Confident88.5Confident55 Ų5578 Ų7857%0.56740%0.398SS*.  trans66.12-172.300000114I246 N247I246-G251 VanDerWaalsContact CG2-O 3.3Å; I246-G251 WeakPolarHBondContact CG2-O 3.24Å; N247-G251 PolarHBondContact O-N 3.2Å
252M84.6Confident87.8Confident106 Ų10679.8 Ų79.852%0.52242%0.422SS..  trans-86.5144.6-178.6-61.3-166.9-62.800110.7N247 S250 M254N247-M252 PolarHBondContact N-O 3.22Å; S250-M252 PolarHBondContact O-N 3.35Å; S250-M252 PolarHBondContact OG-N 3.28Å; M252-M254 PolarHBondContact O-N 2.88Å
253P90.8Very high87.3Confident25 Ų2583.7 Ų83.716%0.16244%0.439CS..BIsolated β-bridgetrans-59.3139.7171.429.1-36.1000109.4K235 I244 I255K235-P253 HydrophobicContact CD-CG 4.28Å; I244-P253 HydrophobicContact CG2-CB 3.93Å; P253-I255 HydrophobicContact CB-CD1 3.83Å; P253-I255 HydrophobicContact CB-CG1 4.06Å; P253-I255 HydrophobicContact CG-CD1 3.94Å; P253-I255 HydrophobicContact CG-CG1 4.43Å; P253-I255 PolarHBondContact O-N 3.46Å
254M90Very high86.8Confident33 Ų3378 Ų7816%0.16342%0.417CS..SBendtrans-74.268.9178.7-72.1-17260.500110.4K245 N247 M252 T271K245-M254 HydrophobicContact CB-CB 4.36Å; K245-M254 HydrophobicContact CB-CG 4.39Å; K245-M254 HydrophobicContact CB-SD 4.06Å; K245-M254 HydrophobicContact CD-SD 3.58Å; K245-M254 VanDerWaalsContact CD-SD 3.58Å; K245-M254 HydrophobicContact CG-CG 4.41Å; K245-M254 HydrophobicContact CG-SD 3.6Å; K245-M254 VanDerWaalsContact CG-SD 3.6Å; K245-M254 VanDerWaalsContact O-CB 3.28Å; K245-M254 WeakPolarHBondContact O-CB 3.4Å; K245-M254 WeakPolarHBondContact O-CG 3.48Å; K245-M254 PolarHBondContact O-N 2.93Å; N247-M254 HydrophobicContact CB-CG 4.04Å; M252-M254 PolarHBondContact O-N 2.88Å; M254-T271 HydrophobicContact CE-CG2 4.23Å; M254-T271 PolarHBondContact O-N 2.92Å
255I91.8Very high86.5Confident7 Ų782 Ų824%0.03643%0.434CS..EExtended strand (participates in β ladder)trans-118.3125.4177.5-58.9169.7000107.4H231 M234 K235 I244 P253 I257 L269 V270H231-I255 PolarHBondContact CE1-O 3.01Å; H231-I255 VanDerWaalsContact CE1-O 3.3Å; M234-I255 HydrophobicContact CB-CD1 3.9Å; M234-I255 HydrophobicContact CB-CG2 4.09Å; M234-I255 HydrophobicContact CE-CG2 4.43Å; M234-I255 HydrophobicContact CG-CG2 4.41Å; K235-I255 HydrophobicContact CB-CD1 4.12Å; I244-I255 HydrophobicContact CD1-CD1 4.05Å; I244-I255 HydrophobicContact CG2-CD1 4.42Å; I244-I255 HydrophobicContact CG2-CG1 4.09Å; P253-I255 HydrophobicContact CB-CD1 3.83Å; P253-I255 HydrophobicContact CB-CG1 4.06Å; P253-I255 HydrophobicContact CG-CD1 3.94Å; P253-I255 HydrophobicContact CG-CG1 4.43Å; P253-I255 PolarHBondContact O-N 3.46Å; I255-I257 HydrophobicContact CG2-CG1 4.29Å; I255-L269 CarbonylContact C-O 3.56Å; I255-L269 WeakPolarHBondContact CA-O 3.47Å; I255-V270 HydrophobicContact CG1-CG1 4.32Å; I255-V270 HydrophobicContact CG1-CG2 4.38Å; I255-V270 HydrophobicContact CG2-CG2 4.36Å
256W89.6Confident86.3Confident76 Ų7678.4 Ų78.429%0.28842%0.42SS..EExtended strand (participates in β ladder)trans-118.3109.9-180-73.675.5000109.1A268 L269 P306 I308W256-A268 CarbonylContact O-C 3.37Å; W256-A268 WeakPolarHBondContact O-CA 3.38Å; W256-A268 VanDerWaalsContact O-CB 3.32Å; W256-A268 WeakPolarHBondContact O-CB 3.32Å; W256-L269 HydrophobicContact CB-CB 4.18Å; W256-L269 PolarHBondContact N-O 2.96Å; W256-L269 PolarHBondContact O-N 3.45Å; W256-P306 HydrophobicContact CE3-CG 3.94Å; W256-P306 HydrophobicContact CZ3-CG 3.87Å; W256-I308 HydrophobicContact CH2-CD1 3.28Å; W256-I308 HydrophobicContact CH2-CG1 3.98Å; W256-I308 HydrophobicContact CZ2-CD1 3.58Å; W256-I308 HydrophobicContact CZ3-CD1 4.35Å
257I90.6Very high86.3Confident29 Ų2977.2 Ų77.215%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-94122.2176.8-57.6171.2000108.2I229 I255 P264 A268I229-I257 HydrophobicContact CG2-CD1 4.07Å; I255-I257 HydrophobicContact CG2-CG1 4.29Å; I257-P264 HydrophobicContact CG2-CB 4.32Å; I257-A268 HydrophobicContact CG1-CB 4.33Å
258F88.8Confident86.6Confident43 Ų4374.5 Ų74.519%0.18940%0.398CS..EExtended strand (participates in β ladder)trans-78125.4177.3-65.6-79000110.5F221 K265 E267 L269 Q304F221-F258 HydrophobicContact CD2-CE2 4.31Å; F221-F258 HydrophobicContact CE2-CD2 4.35Å; F221-F258 AromaticContact CE2-CE2 3.94Å; F221-F258 HydrophobicContact CE2-CE2 3.94Å; F258-K265 PolarHBondContact O-N 2.79Å; F258-E267 HydrophobicContact CB-CB 4.14Å; F258-E267 HydrophobicContact CD2-CB 3.77Å; F258-E267 HydrophobicContact CG-CB 4.37Å; F258-E267 PolarHBondContact N-O 2.83Å; F258-L269 HydrophobicContact CE2-CD1 4.13Å; F258-L269 HydrophobicContact CE2-CG 3.82Å; F258-L269 HydrophobicContact CZ-CD1 3.74Å; F258-L269 HydrophobicContact CZ-CG 3.98Å; F258-Q304 WeakPolarHBondContact CE1-O 3.04Å; F258-Q304 HydrophobicContact CZ-CB 4.23Å; F258-Q304 WeakPolarHBondContact CZ-O 3.37Å
259K88.1Confident87.1Confident136 Ų13668.9 Ų68.959%0.59136%0.357SS*.EExtended strand (participates in β ladder)trans-120.1130.1177-56-178.4-177-175.90108.8I263K259-I263 CarbonylContact C-O 3.51Å; K259-I263 VanDerWaalsContact CA-O 3.3Å; K259-I263 WeakPolarHBondContact CA-O 3.41Å
260E83.2Confident87.7Confident106 Ų10659.3 Ų59.350%0.49532%0.316SS..EExtended strand (participates in β ladder)trans-114.8129.4171.7176.7168.8-113.700108.8G262 I263 K265E260-G262 PolarHBondContact O-N 3.03Å; E260-G262 VanDerWaalsContact O-N 3.09Å; E260-I263 PolarHBondContact N-O 2.93Å; E260-I263 PolarHBondContact O-N 2.84Å; E260-I263 VanDerWaalsContact O-O 3.13Å; E260-K265 HydrophobicContact CB-CD 3.54Å; E260-K265 VanDerWaalsContact CB-CE 3.44Å; E260-K265 HydrophobicContact CB-CG 3.54Å; E260-K265 IonicContact OE1-NZ 2.64Å; E260-K265 PolarHBondContact OE1-NZ 3.35Å; E260-K265 WeakPolarHBondContact OE2-CE 3.3Å; E260-K265 IonicContact OE2-NZ 2.93Å; E260-K265 PolarHBondContact OE2-NZ 3.28Å
261K85Confident88Confident203 Ų20357 Ų5788%0.88330%0.299SS*.THydrogen-bonded Turntrans51.833.3-176.7-58.6174.3-178.1177.50112.9I263K261-I263 PolarHBondContact O-N 2.89Å
262G77.7Confident88.4Confident67 Ų6754.4 Ų54.469%0.69127%0.272SS*.THydrogen-bonded Turntrans82.1-12.8-177.700000115.3E260E260-G262 PolarHBondContact O-N 3.03Å; E260-G262 VanDerWaalsContact O-N 3.09Å
263I80.9Confident88.7Confident95 Ų9554.8 Ų54.849%0.48727%0.273SS..EExtended strand (participates in β ladder)trans-92129.8179.9-57.4173000108.6K259 E260 K261 K265K259-I263 CarbonylContact C-O 3.51Å; K259-I263 VanDerWaalsContact CA-O 3.3Å; K259-I263 WeakPolarHBondContact CA-O 3.41Å; E260-I263 PolarHBondContact N-O 2.93Å; E260-I263 PolarHBondContact O-N 2.84Å; E260-I263 VanDerWaalsContact O-O 3.13Å; K261-I263 PolarHBondContact O-N 2.89Å; I263-K265 PolarHBondContact O-N 3.01Å
264P82.5Confident88.8Confident25 Ų2557.3 Ų57.316%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-61.1123.1173.322.2-28.1000109.5Q227 I257 G266Q227-P264 HydrophobicContact CB-CG 4.05Å; Q227-P264 WeakPolarHBondContact O-CG 3.42Å; I257-P264 HydrophobicContact CG2-CB 4.32Å; P264-G266 PolarHBondContact O-N 2.84Å; P264-G266 VanDerWaalsContact O-N 3.09Å
265K86.8Confident88.9Confident102 Ų10259 Ų5944%0.44330%0.299SS..EExtended strand (participates in β ladder)trans-67.6-10.4-177.4-57-166.892.1158.30112.9F258 E260 I263 E267F258-K265 PolarHBondContact O-N 2.79Å; E260-K265 HydrophobicContact CB-CD 3.54Å; E260-K265 VanDerWaalsContact CB-CE 3.44Å; E260-K265 HydrophobicContact CB-CG 3.54Å; E260-K265 IonicContact OE1-NZ 2.64Å; E260-K265 PolarHBondContact OE1-NZ 3.35Å; E260-K265 WeakPolarHBondContact OE2-CE 3.3Å; E260-K265 IonicContact OE2-NZ 2.93Å; E260-K265 PolarHBondContact OE2-NZ 3.28Å; I263-K265 PolarHBondContact O-N 3.01Å; K265-E267 HydrophobicContact CB-CG 4.5Å
266G89.5Confident88.9Confident6 Ų662.5 Ų62.56%0.06232%0.324CS..EExtended strand (participates in β ladder)trans79.327.5-166.900000112.3S223 N224 L225 P264S223-G266 CarbonylContact C-O 3.4Å; S223-G266 WeakPolarHBondContact CA-O 3.46Å; N224-G266 PolarHBondContact N-O 2.82Å; L225-G266 WeakPolarHBondContact CB-O 3.28Å; L225-G266 PolarHBondContact N-O 3.1Å; L225-G266 WeakPolarHBondContact O-CA 3.32Å; P264-G266 PolarHBondContact O-N 2.84Å; P264-G266 VanDerWaalsContact O-N 3.09Å
267E91.4Very high89Confident72 Ų7259.7 Ų59.734%0.33632%0.315SS..EExtended strand (participates in β ladder)trans-127.8142.8176.4-62.3179.4158.300110.3F221 V222 F258 K265F221-E267 HydrophobicContact CE2-CB 4.05Å; F221-E267 HydrophobicContact CE2-CG 4.47Å; F221-E267 HydrophobicContact CZ-CB 3.98Å; F221-E267 HydrophobicContact CZ-CG 3.9Å; V222-E267 CarbonylContact O-C 3.56Å; V222-E267 VanDerWaalsContact O-CA 3.24Å; V222-E267 WeakPolarHBondContact O-CA 3.47Å; F258-E267 HydrophobicContact CB-CB 4.14Å; F258-E267 HydrophobicContact CD2-CB 3.77Å; F258-E267 HydrophobicContact CG-CB 4.37Å; F258-E267 PolarHBondContact N-O 2.83Å; K265-E267 HydrophobicContact CB-CG 4.5Å
268A92.2Very high89.1Confident0 Ų058.3 Ų58.30%031%0.309CS..EExtended strand (participates in β ladder)trans-150.1158.6175.200000113.2V222 L225 M234 W256 I257V222-A268 PolarHBondContact N-O 3.35Å; V222-A268 PolarHBondContact O-N 3.29Å; L225-A268 HydrophobicContact CD1-CB 3.59Å; M234-A268 HydrophobicContact CE-CB 3.34Å; W256-A268 CarbonylContact O-C 3.37Å; W256-A268 WeakPolarHBondContact O-CA 3.38Å; W256-A268 VanDerWaalsContact O-CB 3.32Å; W256-A268 WeakPolarHBondContact O-CB 3.32Å; I257-A268 HydrophobicContact CG1-CB 4.33Å
269L92.6Very high89.3Confident5 Ų561.4 Ų61.43%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-110.8136.8165.9-64.8165.6000109.9T219 I220 F221 I255 W256 F258 A300 Q304 R305T219-L269 HydrophobicContact CG2-CB 4.17Å; T219-L269 HydrophobicContact CG2-CD2 4.14Å; I220-L269 WeakPolarHBondContact O-CA 3.39Å; F221-L269 HydrophobicContact CB-CD2 3.92Å; F221-L269 HydrophobicContact CD2-CD2 3.79Å; F221-L269 HydrophobicContact CD2-CG 4.4Å; F221-L269 HydrophobicContact CG-CD2 4.36Å; I255-L269 CarbonylContact C-O 3.56Å; I255-L269 WeakPolarHBondContact CA-O 3.47Å; W256-L269 HydrophobicContact CB-CB 4.18Å; W256-L269 PolarHBondContact N-O 2.96Å; W256-L269 PolarHBondContact O-N 3.45Å; F258-L269 HydrophobicContact CE2-CD1 4.13Å; F258-L269 HydrophobicContact CE2-CG 3.82Å; F258-L269 HydrophobicContact CZ-CD1 3.74Å; F258-L269 HydrophobicContact CZ-CG 3.98Å; L269-A300 HydrophobicContact CD2-CB 3.66Å; L269-Q304 HydrophobicContact CD1-CB 4.22Å; L269-Q304 HydrophobicContact CD2-CB 4.42Å; L269-R305 HydrophobicContact CD1-CB 4.1Å
270V92.7Very high89.6Confident0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-124.7123.2173.2-177.70000108.5T219 I220 V222 F238 I244 I255 Y272T219-V270 WeakPolarHBondContact CA-O 3.45Å; T219-V270 WeakPolarHBondContact CG2-O 3.02Å; I220-V270 HydrophobicContact CD1-CB 4.05Å; I220-V270 HydrophobicContact CG1-CB 3.75Å; I220-V270 WeakPolarHBondContact CG1-O 3.34Å; I220-V270 PolarHBondContact N-O 3.36Å; I220-V270 PolarHBondContact O-N 3.3Å; V222-V270 HydrophobicContact CG2-CG2 4.41Å; F238-V270 HydrophobicContact CB-CG1 4.23Å; F238-V270 HydrophobicContact CD1-CG2 4.44Å; F238-V270 HydrophobicContact CD2-CG2 4.2Å; F238-V270 HydrophobicContact CG-CG1 4.46Å; F238-V270 HydrophobicContact CG-CG2 4.19Å; I244-V270 HydrophobicContact CD1-CG1 4.18Å; I244-V270 HydrophobicContact CG1-CG1 4.14Å; I244-V270 HydrophobicContact CG2-CG1 4.15Å; I255-V270 HydrophobicContact CG1-CG1 4.32Å; I255-V270 HydrophobicContact CG1-CG2 4.38Å; I255-V270 HydrophobicContact CG2-CG2 4.36Å; V270-Y272 HydrophobicContact CG1-CE2 4.44Å
271T92.4Very high90.1Very high6 Ų652.9 Ų52.94%0.03729%0.293CS..EExtended strand (participates in β ladder)trans-101.1123.6176.3-57.10000110.2D218 T219 I244 K245 M254D218-T271 HydrophobicContact CB-CG2 4.41Å; D218-T271 CarbonylContact O-C 3.53Å; D218-T271 WeakPolarHBondContact O-CA 3.48Å; T219-T271 PolarHBondContact OG1-OG1 3.5Å; I244-T271 WeakPolarHBondContact CG2-O 3.39Å; K245-T271 HydrophobicContact CB-CG2 4.13Å; K245-T271 WeakPolarHBondContact CB-O 3.41Å; K245-T271 HydrophobicContact CD-CG2 3.77Å; K245-T271 PolarHBondContact N-O 3.12Å; M254-T271 HydrophobicContact CE-CG2 4.23Å; M254-T271 PolarHBondContact O-N 2.92Å
272Y94.8Very high90.5Very high0 Ų045.2 Ų45.20%026%0.261CS..BIsolated β-bridgetrans-87158.6175.5-73.9-76.5000111.7D218 I220 F238 I244 V270 D274 C277 V278 A281D218-Y272 PolarHBondContact O-N 3Å; I220-Y272 HydrophobicContact CD1-CE2 3.71Å; I220-Y272 HydrophobicContact CG1-CD2 4.49Å; I220-Y272 HydrophobicContact CG1-CE2 3.92Å; I220-Y272 HydrophobicContact CG2-CE2 4.39Å; F238-Y272 WeakPolarHBondContact CD1-OH 3.34Å; F238-Y272 WeakPolarHBondContact O-CE1 3.3Å; F238-Y272 PolarHBondContact O-OH 2.83Å; I244-Y272 HydrophobicContact CG1-CD1 4.45Å; I244-Y272 HydrophobicContact CG1-CE1 4.18Å; V270-Y272 HydrophobicContact CG1-CE2 4.44Å; Y272-D274 WeakPolarHBondContact CB-O 3.26Å; Y272-C277 HydrophobicContact CD1-CB 3.89Å; Y272-C277 HydrophobicContact CD2-CB 4.33Å; Y272-C277 HydrophobicContact CE1-CB 4.41Å; Y272-C277 HydrophobicContact CG-CB 3.84Å; Y272-V278 HydrophobicContact CD2-CG2 3.97Å; Y272-A281 HydrophobicContact CE2-CB 3.85Å
273E92.3Very high91.2Very high114 Ų11448.6 Ų48.653%0.53326%0.259SS..SBendtrans-69.5-44.5170.2-171.5173.7-174.700110.5K243K243-E273 HydrophobicContact CB-CB 4.21Å; K243-E273 WeakPolarHBondContact CB-OE2 3.32Å; K243-E273 WeakPolarHBondContact CD-OE2 3.47Å; K243-E273 PolarHBondContact O-N 3.04Å
274D91.7Very high91.7Very high79 Ų7949.6 Ų49.642%0.42226%0.257SS..SBendtrans-103.7131.5178.7-63.5-49.3000111.6Y272 S276 C277Y272-D274 WeakPolarHBondContact CB-O 3.26Å; D274-S276 VanDerWaalsContact C-N 3.28Å; D274-S276 PolarHBondContact O-N 3.41Å; D274-C277 WeakPolarHBondContact O-CB 3.45Å; D274-C277 PolarHBondContact O-N 3.41Å
275P91.6Very high92.2Very high69 Ų6948.6 Ų48.645%0.44825%0.25SC..THydrogen-bonded Turntrans-69.5-23.4178.727.9-34.3000113.1E217 C277 V278E217-P275 HydrophobicContact CB-CB 4.29Å; P275-C277 VanDerWaalsContact C-N 3.27Å; P275-C277 PolarHBondContact O-N 3.37Å; P275-V278 WeakPolarHBondContact O-CB 3.48Å; P275-V278 PolarHBondContact O-N 3.29Å
276S91.9Very high92.4Very high80 Ų8052.1 Ų52.156%0.55927%0.265SS*.Hα-helixtrans-63.7-32.8174.651.30000112.4D274 V278 Q279 S280D274-S276 VanDerWaalsContact C-N 3.28Å; D274-S276 PolarHBondContact O-N 3.41Å; S276-V278 PolarHBondContact O-N 2.95Å; S276-Q279 PolarHBondContact O-N 3.14Å; S276-S280 PolarHBondContact O-N 3.42Å
277C93.5Very high92.2Very high16 Ų1659.5 Ų59.511%0.10830%0.298CS..Hα-helixtrans-62.2-25.7177.3-66.80000112.9Y272 D274 P275 S280 A281Y272-C277 HydrophobicContact CD1-CB 3.89Å; Y272-C277 HydrophobicContact CD2-CB 4.33Å; Y272-C277 HydrophobicContact CE1-CB 4.41Å; Y272-C277 HydrophobicContact CG-CB 3.84Å; D274-C277 WeakPolarHBondContact O-CB 3.45Å; D274-C277 PolarHBondContact O-N 3.41Å; P275-C277 VanDerWaalsContact C-N 3.27Å; P275-C277 PolarHBondContact O-N 3.37Å; C277-S280 PolarHBondContact O-N 3.4Å; C277-A281 VanDerWaalsContact O-CB 3.24Å; C277-A281 WeakPolarHBondContact O-CB 3.06Å; C277-A281 PolarHBondContact O-N 3.39Å
278V92.7Very high92Very high1 Ų160 Ų601%0.00630%0.3CS..Hα-helixtrans-61.3-46.7178.4169.60000111.1E217 D218 I220 Y272 P275 S276 A281 I282 Q299E217-V278 WeakPolarHBondContact O-CG2 2.95Å; D218-V278 VanDerWaalsContact C-CG2 3.5Å; I220-V278 HydrophobicContact CG2-CB 4.05Å; I220-V278 HydrophobicContact CG2-CG1 3.53Å; I220-V278 HydrophobicContact CG2-CG2 4.16Å; Y272-V278 HydrophobicContact CD2-CG2 3.97Å; P275-V278 WeakPolarHBondContact O-CB 3.48Å; P275-V278 PolarHBondContact O-N 3.29Å; S276-V278 PolarHBondContact O-N 2.95Å; V278-A281 PolarHBondContact O-N 3.43Å; V278-I282 HydrophobicContact CG1-CD1 4.26Å; V278-I282 VanDerWaalsContact O-CG1 3.32Å; V278-I282 WeakPolarHBondContact O-CG1 3.14Å; V278-I282 PolarHBondContact O-N 3.45Å; V278-I282 VanDerWaalsContact O-N 3.09Å; V278-Q299 HydrophobicContact CG1-CG 4.34Å
279Q92.8Very high91.7Very high107 Ų10765.4 Ų65.450%0.533%0.325SS..Hα-helixtrans-69.1-42.2-179.9-64.2-60.5-27.700111.4S276 A281 I282 Q283S276-Q279 PolarHBondContact O-N 3.14Å; Q279-A281 VanDerWaalsContact C-N 3.28Å; Q279-A281 PolarHBondContact O-N 3.3Å; Q279-I282 PolarHBondContact O-N 2.92Å; Q279-Q283 PolarHBondContact O-N 3.47Å; Q279-Q283 VanDerWaalsContact O-N 3.15Å
280S93.3Very high91.3Very high64 Ų6465.2 Ų65.245%0.44832%0.324SS..Hα-helixtrans-60.9-37.1173.9-570000112.1S276 C277 Q283 W284S276-S280 PolarHBondContact O-N 3.42Å; C277-S280 PolarHBondContact O-N 3.4Å; S280-Q283 PolarHBondContact O-N 3.39Å; S280-W284 VanDerWaalsContact O-CB 3.26Å; S280-W284 WeakPolarHBondContact O-CB 3.44Å; S280-W284 PolarHBondContact O-N 2.77Å
281A93.4Very high91Very high0 Ų069.9 Ų69.90%035%0.349CS..Hα-helixtrans-68.1-41.5178.700000112I220 V241 Y272 C277 V278 Q279 Q283 W284 F285I220-A281 HydrophobicContact CD1-CB 4.2Å; V241-A281 HydrophobicContact CB-CB 4.36Å; V241-A281 HydrophobicContact CG1-CB 3.89Å; Y272-A281 HydrophobicContact CE2-CB 3.85Å; C277-A281 VanDerWaalsContact O-CB 3.24Å; C277-A281 WeakPolarHBondContact O-CB 3.06Å; C277-A281 PolarHBondContact O-N 3.39Å; V278-A281 PolarHBondContact O-N 3.43Å; Q279-A281 VanDerWaalsContact C-N 3.28Å; Q279-A281 PolarHBondContact O-N 3.3Å; A281-Q283 VanDerWaalsContact C-N 3.29Å; A281-Q283 PolarHBondContact O-N 3.31Å; A281-W284 PolarHBondContact O-N 3.39Å; A281-F285 HydrophobicContact CB-CD2 4.44Å; A281-F285 VanDerWaalsContact O-CD2 3.28Å; A281-F285 WeakPolarHBondContact O-CD2 3.35Å; A281-F285 PolarHBondContact O-N 3.48Å
282I93.7Very high90.6Very high42 Ų4272.5 Ų72.522%0.21538%0.377CS..Hα-helixtrans-58.7-44.3174.8-66.9162.4000110.3I220 V278 Q279 K286 V297 Q299I220-I282 HydrophobicContact CG2-CG1 4.38Å; V278-I282 HydrophobicContact CG1-CD1 4.26Å; V278-I282 VanDerWaalsContact O-CG1 3.32Å; V278-I282 WeakPolarHBondContact O-CG1 3.14Å; V278-I282 PolarHBondContact O-N 3.45Å; V278-I282 VanDerWaalsContact O-N 3.09Å; Q279-I282 PolarHBondContact O-N 2.92Å; I282-K286 WeakPolarHBondContact O-CB 3.35Å; I282-K286 PolarHBondContact O-N 2.76Å; I282-V297 HydrophobicContact CG1-CG1 3.92Å; I282-Q299 HydrophobicContact CD1-CB 4.34Å
283Q93.3Very high90.3Very high138 Ų13878.8 Ų78.865%0.64540%0.4SS*.Hα-helixtrans-70.8-42.8-179.9-169.7168.49.400112.5Q279 S280 A281 K286Q279-Q283 PolarHBondContact O-N 3.47Å; Q279-Q283 VanDerWaalsContact O-N 3.15Å; S280-Q283 PolarHBondContact O-N 3.39Å; A281-Q283 VanDerWaalsContact C-N 3.29Å; A281-Q283 PolarHBondContact O-N 3.31Å; Q283-K286 WeakPolarHBondContact O-CB 3.4Å; Q283-K286 PolarHBondContact O-N 2.99Å
284W91.8Very high90.2Very high115 Ų11580.2 Ų80.244%0.43641%0.405SS..Hα-helixtrans-61.2-50.3-179.4-176.3-90.3000112.5V240 V241 S280 A281 K286 E287 H288V240-W284 HydrophobicContact CG1-CZ2 4.35Å; V241-W284 HydrophobicContact CG2-CB 3.9Å; V241-W284 HydrophobicContact CG2-CD2 4.33Å; V241-W284 HydrophobicContact CG2-CG 3.7Å; S280-W284 VanDerWaalsContact O-CB 3.26Å; S280-W284 WeakPolarHBondContact O-CB 3.44Å; S280-W284 PolarHBondContact O-N 2.77Å; A281-W284 PolarHBondContact O-N 3.39Å; W284-K286 VanDerWaalsContact C-N 3.28Å; W284-K286 PolarHBondContact O-N 3.44Å; W284-E287 PolarHBondContact O-N 3.45Å; W284-H288 AromaticContact CD1-ND1 3.95Å; W284-H288 AromaticContact CD2-CE1 3.95Å; W284-H288 AromaticContact CD2-ND1 3.99Å; W284-H288 AromaticContact CE2-CE1 3.56Å; W284-H288 AromaticContact CE2-ND1 3.74Å; W284-H288 AromaticContact CE2-NE2 3.89Å; W284-H288 AromaticContact CZ2-CE1 3.6Å; W284-H288 AromaticContact CZ2-NE2 3.62Å; W284-H288 AromaticContact NE1-CE1 3.94Å; W284-H288 AromaticContact NE1-CG 3.78Å; W284-H288 AromaticContact NE1-ND1 3.7Å; W284-H288 PolarHBondContact O-N 2.87Å; W284-H288 PolarHBondContact O-ND1 2.89Å
285F92.2Very high90.2Very high4 Ų477 Ų772%0.01839%0.387CS..Hα-helixtrans-78.9-9-177.2-73.3-68.5000114F238 V241 A281 E287 I295 V297F238-F285 AromaticContact CD1-CD2 3.99Å; F238-F285 HydrophobicContact CD1-CD2 3.99Å; F238-F285 AromaticContact CD1-CE2 3.26Å; F238-F285 HydrophobicContact CD1-CE2 3.26Å; F238-F285 AromaticContact CD1-CZ 3.73Å; F238-F285 HydrophobicContact CD1-CZ 3.73Å; F238-F285 AromaticContact CE1-CD2 3.6Å; F238-F285 HydrophobicContact CE1-CD2 3.6Å; F238-F285 HydrophobicContact CE1-CE1 4.46Å; F238-F285 AromaticContact CE1-CE2 3.3Å; F238-F285 HydrophobicContact CE1-CE2 3.3Å; F238-F285 HydrophobicContact CE1-CG 4.32Å; F238-F285 AromaticContact CE1-CZ 3.78Å; F238-F285 HydrophobicContact CE1-CZ 3.78Å; F238-F285 HydrophobicContact CG-CE2 4.06Å; F238-F285 HydrophobicContact CG-CZ 4.1Å; F238-F285 HydrophobicContact CZ-CD2 4.4Å; F238-F285 HydrophobicContact CZ-CE2 4.12Å; F238-F285 HydrophobicContact CZ-CZ 4.19Å; V241-F285 HydrophobicContact CG2-CE2 3.88Å; V241-F285 HydrophobicContact CG2-CZ 4.46Å; A281-F285 HydrophobicContact CB-CD2 4.44Å; A281-F285 VanDerWaalsContact O-CD2 3.28Å; A281-F285 WeakPolarHBondContact O-CD2 3.35Å; A281-F285 PolarHBondContact O-N 3.48Å; F285-E287 VanDerWaalsContact C-N 3.26Å; F285-I295 HydrophobicContact CB-CD1 4.22Å; F285-I295 HydrophobicContact CB-CG1 4.4Å; F285-I295 HydrophobicContact CD1-CD1 3.72Å; F285-I295 HydrophobicContact CD1-CG1 4.39Å; F285-I295 HydrophobicContact CE1-CD1 4.31Å; F285-I295 HydrophobicContact CG-CD1 4.04Å; F285-V297 HydrophobicContact CB-CB 4.34Å; F285-V297 HydrophobicContact CB-CG2 3.51Å; F285-V297 HydrophobicContact CD2-CG2 4.22Å; F285-V297 HydrophobicContact CG-CG2 4.06Å
286K89.9Confident90.2Very high177 Ų17778 Ų7877%0.7739%0.386SS*.Hα-helixtrans-67.3-30.8170.4-171.5177.2179.6-176.10112I282 Q283 W284I282-K286 WeakPolarHBondContact O-CB 3.35Å; I282-K286 PolarHBondContact O-N 2.76Å; Q283-K286 WeakPolarHBondContact O-CB 3.4Å; Q283-K286 PolarHBondContact O-N 2.99Å; W284-K286 VanDerWaalsContact C-N 3.28Å; W284-K286 PolarHBondContact O-N 3.44Å
287E86.1Confident90.3Very high160 Ų16074.9 Ų74.975%0.74836%0.364SS*.Hα-helixtrans-102.8-22.7-178.4-65.8178.6-173.200112.9W284 F285W284-E287 PolarHBondContact O-N 3.45Å; F285-E287 VanDerWaalsContact C-N 3.26Å
288H86.5Confident90.2Very high82 Ų8278.9 Ų78.938%0.3838%0.379SS..SBendtrans-93.8139.4-178.3-75.278.4000113.4W284W284-H288 AromaticContact CD1-ND1 3.95Å; W284-H288 AromaticContact CD2-CE1 3.95Å; W284-H288 AromaticContact CD2-ND1 3.99Å; W284-H288 AromaticContact CE2-CE1 3.56Å; W284-H288 AromaticContact CE2-ND1 3.74Å; W284-H288 AromaticContact CE2-NE2 3.89Å; W284-H288 AromaticContact CZ2-CE1 3.6Å; W284-H288 AromaticContact CZ2-NE2 3.62Å; W284-H288 AromaticContact NE1-CE1 3.94Å; W284-H288 AromaticContact NE1-CG 3.78Å; W284-H288 AromaticContact NE1-ND1 3.7Å; W284-H288 PolarHBondContact O-N 2.87Å; W284-H288 PolarHBondContact O-ND1 2.89Å
289E86.6Confident90.1Very high115 Ų11581.4 Ų81.454%0.53739%0.391SS..EExtended strand (participates in β ladder)trans-86.2133.1170.8-60.2-171.2149.400110.6R293 K294E289-R293 CarbonylContact C-O 3.6Å; E289-K294 HydrophobicContact CG-CG 3.96Å; E289-K294 WeakPolarHBondContact OE1-CE 3.32Å
290F85Confident89.9Confident1 Ų176.3 Ų76.30%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-95.9109.5174.3-174.3-88.2000108.9L225 P226 I229 V233 M234 Q237 F238 G292 R293 I295L225-F290 HydrophobicContact CD2-CD1 3.96Å; L225-F290 HydrophobicContact CD2-CE1 3.85Å; L225-F290 HydrophobicContact CD2-CG 4.45Å; L225-F290 HydrophobicContact CD2-CZ 4.23Å; P226-F290 HydrophobicContact CG-CD1 4.07Å; P226-F290 HydrophobicContact CG-CE1 4.1Å; I229-F290 HydrophobicContact CD1-CE1 3.66Å; I229-F290 HydrophobicContact CD1-CZ 4.28Å; I229-F290 HydrophobicContact CG1-CE1 4.05Å; V233-F290 HydrophobicContact CG1-CZ 4Å; M234-F290 HydrophobicContact SD-CE2 4.27Å; M234-F290 HydrophobicContact SD-CZ 3.82Å; Q237-F290 HydrophobicContact CB-CD2 4.14Å; Q237-F290 HydrophobicContact CB-CE2 3.68Å; Q237-F290 HydrophobicContact CG-CD2 4.14Å; Q237-F290 HydrophobicContact CG-CE2 3.69Å; F238-F290 HydrophobicContact CE2-CE2 4.19Å; F290-G292 PolarHBondContact O-N 2.83Å; F290-R293 PolarHBondContact N-O 3.05Å; F290-R293 PolarHBondContact O-N 3.04Å; F290-R293 VanDerWaalsContact O-O 3.14Å; F290-I295 HydrophobicContact CB-CB 4.37Å; F290-I295 HydrophobicContact CB-CD1 3.79Å; F290-I295 HydrophobicContact CB-CG1 3.85Å; F290-I295 HydrophobicContact CB-CG2 3.65Å; F290-I295 HydrophobicContact CD1-CG2 4.27Å; F290-I295 HydrophobicContact CD2-CD1 4.14Å; F290-I295 HydrophobicContact CG-CD1 4.11Å; F290-I295 HydrophobicContact CG-CG2 4.14Å
291L85.6Confident89.3Confident98 Ų9877.3 Ų77.351%0.51337%0.367SS..THydrogen-bonded Turntrans52.538.3-178.9-55.5176.4000113.5P226 V233 R293P226-L291 HydrophobicContact CG-CB 4.46Å; P226-L291 HydrophobicContact CG-CD1 4.08Å; V233-L291 HydrophobicContact CG1-CD1 4.21Å; L291-R293 VanDerWaalsContact C-N 3.34Å
292G84.8Confident87.9Confident60 Ų6080 Ų8062%0.61938%0.381SS*.THydrogen-bonded Turntrans78.312-178.300000114.9F290F290-G292 PolarHBondContact O-N 2.83Å
293R86.7Confident86.2Confident132 Ų13283.3 Ų83.350%0.49841%0.408SS..EExtended strand (participates in β ladder)trans-123.2141.4171.2-66.9-171.6179.2-175.9-1.4111.1E289 F290 L291 I295E289-R293 CarbonylContact C-O 3.6Å; F290-R293 PolarHBondContact N-O 3.05Å; F290-R293 PolarHBondContact O-N 3.04Å; F290-R293 VanDerWaalsContact O-O 3.14Å; L291-R293 VanDerWaalsContact C-N 3.34Å; R293-I295 PolarHBondContact O-N 3.37Å
294K90.1Very high84.6Confident144 Ų14479.6 Ų79.663%0.62639%0.391SS*.EExtended strand (participates in β ladder)trans-77.2114.6170.8-68.5-177.4179.5-176.40109.7N224 E289N224-K294 PolarHBondContact ND2-O 2.97Å; E289-K294 HydrophobicContact CG-CG 3.96Å; E289-K294 WeakPolarHBondContact OE1-CE 3.32Å
295I93Very high83Confident11 Ų1177.5 Ų77.56%0.05638%0.383CS..  trans-91.3155175.456.3166.2000110V222 L225 F238 F285 F290 R293 V297V222-I295 HydrophobicContact CG1-CB 4.35Å; V222-I295 HydrophobicContact CG1-CD1 3.92Å; L225-I295 HydrophobicContact CD2-CG2 3.79Å; L225-I295 HydrophobicContact CG-CG2 4.37Å; F238-I295 HydrophobicContact CZ-CD1 3.88Å; F285-I295 HydrophobicContact CB-CD1 4.22Å; F285-I295 HydrophobicContact CB-CG1 4.4Å; F285-I295 HydrophobicContact CD1-CD1 3.72Å; F285-I295 HydrophobicContact CD1-CG1 4.39Å; F285-I295 HydrophobicContact CE1-CD1 4.31Å; F285-I295 HydrophobicContact CG-CD1 4.04Å; F290-I295 HydrophobicContact CB-CB 4.37Å; F290-I295 HydrophobicContact CB-CD1 3.79Å; F290-I295 HydrophobicContact CB-CG1 3.85Å; F290-I295 HydrophobicContact CB-CG2 3.65Å; F290-I295 HydrophobicContact CD1-CG2 4.27Å; F290-I295 HydrophobicContact CD2-CD1 4.14Å; F290-I295 HydrophobicContact CG-CD1 4.11Å; F290-I295 HydrophobicContact CG-CG2 4.14Å; R293-I295 PolarHBondContact O-N 3.37Å; I295-V297 HydrophobicContact CD1-CG2 4.02Å; I295-V297 HydrophobicContact CG1-CG2 4.38Å
296E92.2Very high81.2Confident91 Ų9180.4 Ų80.443%0.42540%0.402SS..EExtended strand (participates in β ladder)trans-107.5124.9174.6177.8-177-137.900108.9V222 S223 K298V222-E296 CarbonylContact C-O 3.47Å; V222-E296 WeakPolarHBondContact CA-O 3.28Å; S223-E296 PolarHBondContact N-O 3.33Å; S223-E296 PolarHBondContact O-N 3.34Å; S223-E296 WeakPolarHBondContact OG-CB 3.36Å; S223-E296 PolarHBondContact OG-O 3.17Å; S223-E296 PolarHBondContact OG-OE2 3.34Å; S223-E296 VanDerWaalsContact OG-OE2 3.06Å; E296-K298 HydrophobicContact CG-CD 4.45Å; E296-K298 HydrophobicContact CG-CG 4.39Å; E296-K298 WeakPolarHBondContact OE1-CE 3.4Å; E296-K298 IonicContact OE1-NZ 2.89Å; E296-K298 PolarHBondContact OE1-NZ 2.93Å; E296-K298 IonicContact OE2-NZ 2.84Å; E296-K298 PolarHBondContact OE2-NZ 2.64Å
297V93.6Very high79.5Confident14 Ų1478 Ų789%0.08540%0.401CS..EExtended strand (participates in β ladder)trans-116.3127.2179.9-174.90000109.1I220 F221 V222 F238 I282 F285 I295I220-V297 HydrophobicContact CB-CG1 3.92Å; I220-V297 HydrophobicContact CD1-CG1 3.76Å; I220-V297 HydrophobicContact CG1-CG1 4.41Å; I220-V297 HydrophobicContact CG2-CG1 4.07Å; F221-V297 WeakPolarHBondContact O-CA 3.38Å; V222-V297 HydrophobicContact CG1-CG2 4.27Å; V222-V297 HydrophobicContact CG2-CG2 4.36Å; F238-V297 HydrophobicContact CE1-CG2 4.4Å; I282-V297 HydrophobicContact CG1-CG1 3.92Å; F285-V297 HydrophobicContact CB-CB 4.34Å; F285-V297 HydrophobicContact CB-CG2 3.51Å; F285-V297 HydrophobicContact CD2-CG2 4.22Å; F285-V297 HydrophobicContact CG-CG2 4.06Å; I295-V297 HydrophobicContact CD1-CG2 4.02Å; I295-V297 HydrophobicContact CG1-CG2 4.38Å
298K91.8Very high77.8Confident100 Ų10074.9 Ų74.944%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-131.8158.9-179.4-72.2173.4174.6152.20110.2I220 F221 E296 A300I220-K298 CarbonylContact C-O 3.57Å; I220-K298 WeakPolarHBondContact CA-O 3.4Å; F221-K298 PolarHBondContact N-O 2.96Å; F221-K298 PolarHBondContact O-N 3.34Å; E296-K298 HydrophobicContact CG-CD 4.45Å; E296-K298 HydrophobicContact CG-CG 4.39Å; E296-K298 WeakPolarHBondContact OE1-CE 3.4Å; E296-K298 IonicContact OE1-NZ 2.89Å; E296-K298 PolarHBondContact OE1-NZ 2.93Å; E296-K298 IonicContact OE2-NZ 2.84Å; E296-K298 PolarHBondContact OE2-NZ 2.64Å; K298-A300 PolarHBondContact O-N 3.06Å
299Q90.5Very high75.9Confident54 Ų5477.4 Ų77.425%0.25240%0.404SS..EExtended strand (participates in β ladder)trans-65.3132.7168.2-171.517311.600109.6V278 I282V278-Q299 HydrophobicContact CG1-CG 4.34Å; I282-Q299 HydrophobicContact CD1-CB 4.34Å
300A87.1Confident74.1Confident1 Ų175.7 Ų75.71%0.00840%0.403CS..EExtended strand (participates in β ladder)trans-72.4136.8-174.700000111.8R216 T219 F221 L269 K298R216-A300 PolarHBondContact N-O 2.81Å; T219-A300 HydrophobicContact CG2-CB 3.68Å; T219-A300 WeakPolarHBondContact O-CB 3.24Å; T219-A300 PolarHBondContact O-N 3.01Å; F221-A300 HydrophobicContact CB-CB 4.3Å; L269-A300 HydrophobicContact CD2-CB 3.66Å; K298-A300 PolarHBondContact O-N 3.06Å
301I82.1Confident72.2Confident84 Ų8481.4 Ų81.443%0.43144%0.44SS..EExtended strand (participates in β ladder)trans-91136170.2-48.2173.8000107.6L215 S303 Q304L215-I301 HydrophobicContact CD2-CB 4.34Å; L215-I301 HydrophobicContact CD2-CG1 3.71Å; I301-S303 PolarHBondContact O-N 2.84Å; I301-Q304 PolarHBondContact O-N 2.88Å
302N63.4Low70Confident58 Ų5880.3 Ų80.331%0.3145%0.453SS..G310 helixtrans-54.5-22.9-173.9-175.634.6000113.5G214 R216 Q304G214-N302 WeakPolarHBondContact O-CA 3.42Å; G214-N302 WeakPolarHBondContact O-CB 3.41Å; G214-N302 PolarHBondContact O-N 2.98Å; R216-N302 HydrophobicContact CG-CB 4.43Å; R216-N302 VanDerWaalsContact CZ-OD1 3.31Å; R216-N302 PolarHBondContact NE-OD1 3.09Å; R216-N302 PolarHBondContact NH2-OD1 2.77Å; N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.47Å
303S58.5Low68Low111 Ų11181 Ų8178%0.77646%0.459SS*.G310 helixtrans-71-12.2-178.2-45.50000115.6I301I301-S303 PolarHBondContact O-N 2.84Å
304Q59.1Low65.8Low60 Ų6077.7 Ų77.728%0.2847%0.467SS..G310 helixtrans-88.6-19-172.2-71.9173.5-21.400114.3F221 F258 L269 I301 N302F221-Q304 VanDerWaalsContact CD2-CD 3.46Å; F258-Q304 WeakPolarHBondContact CE1-O 3.04Å; F258-Q304 HydrophobicContact CZ-CB 4.23Å; F258-Q304 WeakPolarHBondContact CZ-O 3.37Å; L269-Q304 HydrophobicContact CD1-CB 4.22Å; L269-Q304 HydrophobicContact CD2-CB 4.42Å; I301-Q304 PolarHBondContact O-N 2.88Å; N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.47Å
305R58.6Low63.5Low71 Ų7174.1 Ų74.127%0.26847%0.47SS..SBendtrans-80.4128.5-178.6-164.8170.7-176-119.30.4110L269 V307L269-R305 HydrophobicContact CD1-CB 4.1Å; R305-V307 PolarHBondContact O-N 3.36Å
306P54.9Low61Low64 Ų6482.3 Ų82.342%0.41651%0.513SS..  trans-56.7121.9167.623.6-31.4000107.9W256 I308W256-P306 HydrophobicContact CE3-CG 3.94Å; W256-P306 HydrophobicContact CZ3-CG 3.87Å; P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 3.15Å
307V54.3Low58.8Low126 Ų12685.8 Ų85.876%0.76453%0.534SS*.  trans-65.698.5173.3-178.10000106.1R305 I309R305-V307 PolarHBondContact O-N 3.36Å; V307-I309 HydrophobicContact CG1-CG1 3.77Å; V307-I309 PolarHBondContact O-N 3.32Å
308I49.3Very low56.3Low95 Ų9588.9 Ų88.949%0.48757%0.569SS.*  trans-67.693.6164.5-51.6164.2000104.6W256 P306 P310W256-I308 HydrophobicContact CH2-CD1 3.28Å; W256-I308 HydrophobicContact CH2-CG1 3.98Å; W256-I308 HydrophobicContact CZ2-CD1 3.58Å; W256-I308 HydrophobicContact CZ3-CD1 4.35Å; P306-I308 VanDerWaalsContact C-N 3.31Å; P306-I308 PolarHBondContact O-N 3.15Å; I308-P310 WeakPolarHBondContact O-CD 3.06Å
309I46.1Very low54Low136 Ų13688 Ų8870%0.69759%0.588SS**  trans-73106.6159.8-55.5176.9000103.5V307 P311V307-I309 HydrophobicContact CG1-CG1 3.77Å; V307-I309 PolarHBondContact O-N 3.32Å; I309-P311 WeakPolarHBondContact O-CD 3.43Å; I309-P311 VanDerWaalsContact O-N 3.16Å
310P49.4Very low51.9Low78 Ų7893.6 Ų93.651%0.50662%0.62SS.*  trans-55.4127.3168.824.1-31.9000106.9I308 G312I308-P310 WeakPolarHBondContact O-CD 3.06Å; P310-G312 PolarHBondContact O-N 3.09Å
311P44.6Very low50Low121 Ų12196.6 Ų96.679%0.78665%0.651SS**THydrogen-bonded Turntrans-60.5109.6169.424.5-29.4000106.6I309I309-P311 WeakPolarHBondContact O-CD 3.43Å; I309-P311 VanDerWaalsContact O-N 3.16Å
312G40.9Very low48.5Very low76 Ų76100.7 Ų100.778%0.78467%0.674SS**THydrogen-bonded Turntrans80.761.5173.600000115.5P310 G314P310-G312 PolarHBondContact O-N 3.09Å; G312-G314 PolarHBondContact O-N 3.39Å
313G41.9Very low47.6Very low73 Ų73100.7 Ų100.775%0.75369%0.687SS**  trans-85.448155.200000111.8
314G41.3Very low47.1Very low64 Ų64101.4 Ų101.466%0.6669%0.689SS**  trans-87.4126.6171.500000108.9G312 L316G312-G314 PolarHBondContact O-N 3.39Å; G314-L316 PolarHBondContact O-N 3.03Å
315G41.6Very low46.9Very low68 Ų68105.9 Ų105.970%0.70172%0.715SS**  trans-43.7121.2-167.600000115.3L317G315-L317 PolarHBondContact O-N 3.03Å
316L40Very low46.7Very low183 Ų183108.1 Ų108.196%0.95873%0.733SS**  trans-67.978.6151-72.3163.4000107.4G314G314-L316 PolarHBondContact O-N 3.03Å
317L45.9Very low46.9Very low164 Ų164109.9 Ų109.986%0.85974%0.744SS**  trans-107.2109.1164.1-79.1167.9000107.4G315G315-L317 PolarHBondContact O-N 3.03Å
318G41.7Very low46.9Very low79 Ų79106.8 Ų106.881%0.81473%0.731SS**  trans6856.514300000117.1N320G318-N320 PolarHBondContact O-N 2.82Å
319G42.9Very low47Very low81 Ų81105.5 Ų105.584%0.83574%0.735SS**  trans-8781160.400000110.9G321G319-G321 PolarHBondContact O-N 2.9Å
320N46.8Very low47.3Very low172 Ų172102.5 Ų102.592%0.9273%0.73SS**  trans-64.9115.2158.5-104.643.1000107.8G318G318-N320 PolarHBondContact O-N 2.82Å
321G47.9Very low47.5Very low65 Ų65103.1 Ų103.167%0.6773%0.729SS**  trans129114.2156.600000116.2G319G319-G321 PolarHBondContact O-N 2.9Å
322N49.2Very low47.8Very low170 Ų170100.2 Ų100.291%0.90972%0.715SS**  trans74.698.3153.6-72.5-45.9000119.7
323G44.6Very low48.3Very low57 Ų57101.8 Ų101.859%0.58871%0.709SS**  93.2105.9115.800000117.5N325G323-N325 PolarHBondContact O-N 3.24Å
324P48Very low48.8Very low127 Ų127101 Ų10183%0.82570%0.696SS**  trans-86.588.7177.234.1-29000110.6
325N54.7Low49.3Very low153 Ų153100.8 Ų100.882%0.81869%0.688SS**  trans-13424177.8-69.8-43.3000114G323G323-N325 PolarHBondContact O-N 3.24Å
326N55.1Low49.7Very low119 Ų119102.2 Ų102.264%0.63668%0.683SS**  trans-129.5102.4177.7-152-18.3000113A328 A329N326-A328 PolarHBondContact O-N 3.45Å; N326-A328 VanDerWaalsContact O-N 3.14Å; N326-A329 PolarHBondContact O-N 3.38Å
327P58.6Low50.3Low100 Ų10096.7 Ų96.765%0.64966%0.663SS**Hα-helixtrans-64.4-16.2-179.226.3-34000113.4A329 L331P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å; P327-L331 PolarHBondContact O-N 2.84Å
328A54.7Low50.5Low61 Ų6190 Ų9050%0.50463%0.631SS.*Hα-helixtrans-66.5-30.9179.700000113.8N326N326-A328 PolarHBondContact O-N 3.45Å; N326-A328 VanDerWaalsContact O-N 3.14Å
329A51.6Low50.8Low69 Ų6990.1 Ų90.157%0.5763%0.625SS**Hα-helixtrans-78.9-29.5-178.300000112.9N326 P327N326-A329 PolarHBondContact O-N 3.38Å; P327-A329 VanDerWaalsContact C-N 3.34Å; P327-A329 PolarHBondContact O-N 3.23Å
330A51.8Low51.1Low72 Ų7290.1 Ų90.160%0.59562%0.617SS**Hα-helixtrans-72.9-34.4175.500000112.1V333 A334A330-V333 PolarHBondContact O-N 3.13Å; A330-A334 PolarHBondContact O-N 2.87Å
331L53.2Low51.5Low91 Ų9184.8 Ų84.848%0.47659%0.593SS.*Hα-helixtrans-69.4-34178.3-97.5164.5000113.6P327 V333 A334 A335P327-L331 PolarHBondContact O-N 2.84Å; L331-V333 VanDerWaalsContact C-N 3.28Å; L331-V333 PolarHBondContact O-N 3.15Å; L331-A334 PolarHBondContact O-N 3.39Å; L331-A335 WeakPolarHBondContact O-CB 3.49Å; L331-A335 PolarHBondContact O-N 3.33Å
332A52.4Low51.6Low60 Ų6085 Ų8550%0.49660%0.596SS.*Hα-helixtrans-65.6-32.1177.900000112.5V336A332-V336 VanDerWaalsContact O-CG2 3.3Å; A332-V336 WeakPolarHBondContact O-CG2 3.16Å; A332-V336 PolarHBondContact O-N 3.47Å
333V50.8Low51.7Low109 Ų10981.4 Ų81.466%0.66158%0.577SS**Hα-helixtrans-76.2-36.3176.5-1780000111.1A330 L331 A337A330-V333 PolarHBondContact O-N 3.13Å; L331-V333 VanDerWaalsContact C-N 3.28Å; L331-V333 PolarHBondContact O-N 3.15Å; V333-A337 WeakPolarHBondContact O-CB 3.15Å; V333-A337 PolarHBondContact O-N 2.87Å; V333-A337 VanDerWaalsContact O-N 3.12Å
334A52Low52.2Low56 Ų5683 Ų8346%0.46358%0.575SS.*Hα-helixtrans-70.7-38.4175.900000113.1A330 L331 A337 A338A330-A334 PolarHBondContact O-N 2.87Å; L331-A334 PolarHBondContact O-N 3.39Å; A334-A337 PolarHBondContact O-N 2.86Å; A334-A338 PolarHBondContact O-N 3.06Å
335A51.4Low52.4Low60 Ų6082.6 Ų82.650%0.49657%0.57SS.*Hα-helixtrans-68.7-35.8177.100000112.7L331 A338 A339L331-A335 WeakPolarHBondContact O-CB 3.49Å; L331-A335 PolarHBondContact O-N 3.33Å; A335-A338 PolarHBondContact O-N 3.32Å; A335-A339 PolarHBondContact O-N 3.28Å
336V51Low52.4Low99 Ų9978 Ų7860%0.655%0.554SS**Hα-helixtrans-70.9-32.1173.5171.60000111.4A332 A340A332-V336 VanDerWaalsContact O-CG2 3.3Å; A332-V336 WeakPolarHBondContact O-CG2 3.16Å; A332-V336 PolarHBondContact O-N 3.47Å; V336-A340 PolarHBondContact O-N 3.23Å
337A51.7Low52.2Low66 Ų6674.8 Ų74.855%0.54554%0.54SS..Hα-helixtrans-69.7-32.8171.600000112.9V333 A334V333-A337 WeakPolarHBondContact O-CB 3.15Å; V333-A337 PolarHBondContact O-N 2.87Å; V333-A337 VanDerWaalsContact O-N 3.12Å; A334-A337 PolarHBondContact O-N 2.86Å
338A51.2Low51.9Low23 Ų2373.8 Ų73.819%0.1953%0.529CS..Hα-helixtrans-76.2-30.5175.200000113.4A334 A335 A340 S341 L348A334-A338 PolarHBondContact O-N 3.06Å; A335-A338 PolarHBondContact O-N 3.32Å; A338-A340 PolarHBondContact O-N 3.19Å; A338-S341 PolarHBondContact O-N 2.93Å; A338-S341 PolarHBondContact O-OG 2.93Å; A338-L348 HydrophobicContact CB-CD1 4.38Å
339A48.1Very low51.9Low83 Ų8376.9 Ų76.969%0.68653%0.534SS*.Hα-helixtrans-68.4-23.2174.100000112.8A335 S341A335-A339 PolarHBondContact O-N 3.28Å; A339-S341 VanDerWaalsContact C-N 3.33Å
340A48.9Very low52.3Low81 Ų8179.9 Ų79.967%0.66954%0.541SS*.THydrogen-bonded Turntrans-80.5-10.8174.600000113.6V336 A338V336-A340 PolarHBondContact O-N 3.23Å; A338-A340 PolarHBondContact O-N 3.19Å
341S55.1Low52.4Low59 Ų5981.8 Ų81.841%0.41354%0.541SS..THydrogen-bonded Turntrans-98.26.8-178.363.40000114.5A338 A339 N343A338-S341 PolarHBondContact O-N 2.93Å; A338-S341 PolarHBondContact O-OG 2.93Å; A339-S341 VanDerWaalsContact C-N 3.33Å; S341-N343 PolarHBondContact O-N 3.05Å
342G49.6Very low52.4Low70 Ų7081.6 Ų81.672%0.72255%0.548SS*.THydrogen-bonded Turntrans64.78.3174.400000114.7
343N51.5Low52.2Low95 Ų9583 Ų8351%0.50856%0.559SS.*  trans-83.5123.7177.8-73.5-16.8000109.4S341S341-N343 PolarHBondContact O-N 3.05Å
344T55.1Low52.3Low91 Ų9181.1 Ų81.156%0.55856%0.555SS**  trans-62.9150.8172.556.50000109.4A346 S347T344-A346 PolarHBondContact O-N 2.89Å; T344-S347 PolarHBondContact O-N 3.32Å
345V51.7Low52.2Low117 Ų11779.4 Ų79.471%0.70954%0.541SS*.Hα-helixtrans-49.8-22.9173-103.30000113.3L348V345-L348 PolarHBondContact O-N 2.93Å
346A54.5Low52.1Low58 Ų5879.7 Ų79.748%0.47954%0.543SS..Hα-helixtrans-68.5-36.7173.500000113.7T344 L348 M349T344-A346 PolarHBondContact O-N 2.89Å; A346-L348 VanDerWaalsContact C-N 3.3Å; A346-L348 PolarHBondContact O-N 3.27Å; A346-M349 PolarHBondContact O-N 3.28Å
347S51.4Low52.2Low51 Ų5178 Ų7836%0.35754%0.539SS..Hα-helixtrans-73.9-21.1177-78.50000113.3T344 N351T344-S347 PolarHBondContact O-N 3.32Å; S347-N351 PolarHBondContact O-ND2 3.38Å
348L51.5Low52.4Low79 Ų7976.7 Ų76.741%0.41453%0.526SS..Hα-helixtrans-74.8-26.7173.7-81.3149.1000112.5A338 V345 A346 N350 A355A338-L348 HydrophobicContact CB-CD1 4.38Å; V345-L348 PolarHBondContact O-N 2.93Å; A346-L348 VanDerWaalsContact C-N 3.3Å; A346-L348 PolarHBondContact O-N 3.27Å; L348-N350 VanDerWaalsContact C-N 3.34Å; L348-A355 WeakPolarHBondContact O-CB 3.34Å
349M55.3Low52.4Low125 Ų12579.3 Ų79.362%0.61654%0.537SS*.Hα-helixtrans-78-20.5177.3-70.4179.8174.600113.1A346 L359A346-M349 PolarHBondContact O-N 3.28Å; M349-L359 HydrophobicContact CE-CD1 4.08Å; M349-L359 HydrophobicContact CG-CD1 4.39Å
350N59.9Low52.8Low133 Ų13377.9 Ų77.971%0.71153%0.525SS*.SBendtrans-100.20.7-173.2-66.6-14.6000114.1L348L348-N350 VanDerWaalsContact C-N 3.34Å
351N53.8Low53.1Low112 Ų11276.7 Ų76.760%0.59952%0.515SS*.SBendtrans-131.2118.4-178.7-74.5-67.3000111.6S347S347-N351 PolarHBondContact O-ND2 3.38Å
352S53.6Low52.9Low87 Ų8779.6 Ų79.661%0.60853%0.525SS*.  trans76.4126.6172.678.40000117.2A354 A355S352-A354 PolarHBondContact O-N 3.06Å; S352-A355 WeakPolarHBondContact O-CB 3.45Å; S352-A355 PolarHBondContact O-N 2.94Å
353A48.5Very low53.1Low88 Ų8880.9 Ų80.973%0.72752%0.52SS*.Hα-helixtrans-52.5-19.4171.400000113.7A357A353-A357 WeakPolarHBondContact O-CB 3.47Å; A353-A357 PolarHBondContact O-N 2.96Å
354A52.1Low53.2Low70 Ų7080.2 Ų80.258%0.57953%0.527SS*.Hα-helixtrans-70.4-31.8173.500000113.5S352 S358S352-A354 PolarHBondContact O-N 3.06Å; A354-S358 PolarHBondContact O-N 3.48Å; A354-S358 PolarHBondContact O-OG 2.81Å
355A50.4Low53.1Low20 Ų2082.4 Ų82.417%0.16554%0.535CS..Hα-helixtrans-74.1-36.5174.600000111.8L348 S352 S358 L359L348-A355 WeakPolarHBondContact O-CB 3.34Å; S352-A355 WeakPolarHBondContact O-CB 3.45Å; S352-A355 PolarHBondContact O-N 2.94Å; A355-S358 WeakPolarHBondContact CA-OG 3.23Å; A355-S358 PolarHBondContact O-N 3.03Å; A355-S358 PolarHBondContact O-OG 3.25Å; A355-S358 VanDerWaalsContact O-OG 3.1Å; A355-L359 PolarHBondContact O-N 3.03Å; A355-L359 VanDerWaalsContact O-N 3.17Å
356A49.6Very low52.8Low66 Ų6681.2 Ų81.255%0.54553%0.525SS..Hα-helixtrans-67-39.6173.400000112.2S358 L359 A360A356-S358 VanDerWaalsContact C-N 3.33Å; A356-S358 PolarHBondContact O-N 3.45Å; A356-L359 PolarHBondContact O-N 3.31Å; A356-A360 PolarHBondContact O-N 2.79Å
357A53.9Low52.7Low63 Ų6384.5 Ų84.552%0.52154%0.541SS..Hα-helixtrans-65.7-34.5176.600000113A353 A361A353-A357 WeakPolarHBondContact O-CB 3.47Å; A353-A357 PolarHBondContact O-N 2.96Å; A357-A361 PolarHBondContact O-N 3.3Å
358S54.4Low52.7Low40 Ų4090.5 Ų90.528%0.2856%0.564SS.*Hα-helixtrans-75.3-28.8177.134.30000112.8A354 A355 A356 L362A354-S358 PolarHBondContact O-N 3.48Å; A354-S358 PolarHBondContact O-OG 2.81Å; A355-S358 WeakPolarHBondContact CA-OG 3.23Å; A355-S358 PolarHBondContact O-N 3.03Å; A355-S358 PolarHBondContact O-OG 3.25Å; A355-S358 VanDerWaalsContact O-OG 3.1Å; A356-S358 VanDerWaalsContact C-N 3.33Å; A356-S358 PolarHBondContact O-N 3.45Å; S358-L362 PolarHBondContact O-N 2.89Å
359L52.5Low52.7Low77 Ų7794 Ų9440%0.40358%0.582SS.*Hα-helixtrans-72.8-38.5169.2-108.5140.3000112.9M349 A355 A356 A361 L362 T363M349-L359 HydrophobicContact CE-CD1 4.08Å; M349-L359 HydrophobicContact CG-CD1 4.39Å; A355-L359 PolarHBondContact O-N 3.03Å; A355-L359 VanDerWaalsContact O-N 3.17Å; A356-L359 PolarHBondContact O-N 3.31Å; L359-A361 VanDerWaalsContact C-N 3.27Å; L359-A361 PolarHBondContact O-N 2.75Å; L359-L362 WeakPolarHBondContact O-CB 2.95Å; L359-L362 PolarHBondContact O-N 3.18Å; L359-L362 VanDerWaalsContact O-N 3.09Å; L359-T363 PolarHBondContact O-N 2.66Å; L359-T363 VanDerWaalsContact O-N 3.11Å; L359-T363 PolarHBondContact O-OG1 2.88Å
360A56Low52Low54 Ų5492.4 Ų92.445%0.44659%0.589SS.*Hα-helixtrans-62.6-34.2175.100000112.4A356 L362 T363 A364A356-A360 PolarHBondContact O-N 2.79Å; A360-L362 VanDerWaalsContact C-N 3.34Å; A360-T363 PolarHBondContact O-N 3.28Å; A360-T363 PolarHBondContact O-OG1 2.67Å; A360-A364 WeakPolarHBondContact O-CB 3.46Å; A360-A364 PolarHBondContact O-N 2.92Å; A360-A364 VanDerWaalsContact O-N 3.12Å
361A54.9Low51.3Low55 Ų5590.2 Ų90.246%0.45559%0.589SS.*Hα-helixtrans-70.7-27.3174.300000113.4A357 L359 N365A357-A361 PolarHBondContact O-N 3.3Å; L359-A361 VanDerWaalsContact C-N 3.27Å; L359-A361 PolarHBondContact O-N 2.75Å; A361-N365 PolarHBondContact O-ND2 3.32Å
362L50Low50.8Low120 Ų12093.1 Ų93.163%0.62860%0.599SS**Hα-helixtrans-73.8-38.2174.1-79.7158.8000111.7S358 L359 A360S358-L362 PolarHBondContact O-N 2.89Å; L359-L362 WeakPolarHBondContact O-CB 2.95Å; L359-L362 PolarHBondContact O-N 3.18Å; L359-L362 VanDerWaalsContact O-N 3.09Å; A360-L362 VanDerWaalsContact C-N 3.34Å
363T54.6Low50.3Low98 Ų9899.1 Ų99.160%0.60161%0.614SS**Hα-helixtrans-75.4-28.1178.253.40000112.8L359 A360 N365L359-T363 PolarHBondContact O-N 2.66Å; L359-T363 VanDerWaalsContact O-N 3.11Å; L359-T363 PolarHBondContact O-OG1 2.88Å; A360-T363 PolarHBondContact O-N 3.28Å; A360-T363 PolarHBondContact O-OG1 2.67Å; T363-N365 VanDerWaalsContact C-N 3.27Å; T363-N365 PolarHBondContact O-N 2.88Å
364A53.1Low50Low80 Ų80102.3 Ų102.366%0.66162%0.619SS**THydrogen-bonded Turntrans-70.5-18.4179.400000114.4A360A360-A364 WeakPolarHBondContact O-CB 3.46Å; A360-A364 PolarHBondContact O-N 2.92Å; A360-A364 VanDerWaalsContact O-N 3.12Å
365N54.2Low49.4Very low137 Ų137103.7 Ų103.773%0.73363%0.625SS**THydrogen-bonded Turntrans-108.15.8-175.6-72-62.4000114.3A361 T363A361-N365 PolarHBondContact O-ND2 3.32Å; T363-N365 VanDerWaalsContact C-N 3.27Å; T363-N365 PolarHBondContact O-N 2.88Å
366N45.4Very low49.2Very low92 Ų92111.3 Ų111.349%0.49265%0.654SS.*  trans-139.586.4-180-146.8-24.3000111.9Q368N366-Q368 PolarHBondContact O-N 3.21Å
367P52.5Low48.6Very low127 Ų127116.2 Ų116.283%0.82567%0.666SS**THydrogen-bonded Turntrans-73.316.5-175.328.8-33.6000114.9
368Q49.9Very low48Very low177 Ų177124.7 Ų124.783%0.82769%0.686SS**THydrogen-bonded Turntrans-112.83-178.5-78.4-134.1-50.100116N366N366-Q368 PolarHBondContact O-N 3.21Å
369L52.8Low47.4Very low152 Ų152129 Ų12980%0.79671%0.713SS**SBendtrans-120.53.2177.9-89.6112000115.7
370A40.2Very low46.8Very low92 Ų92128.6 Ų128.676%0.7673%0.728SS**  trans-104.376.9177.600000110.7
371A44.3Very low46.2Very low87 Ų87135.8 Ų135.872%0.71976%0.755SS**  trans-140.567.7174.100000110.2
372H43.6Very low45.3Very low173 Ų173137 Ų13780%0.80177%0.772SS**SBendtrans176.399.6155.9-117.1-91.9000105.2
373F44.4Very low44.8Very low213 Ų213143.9 Ų143.993%0.93479%0.79SS**  trans169.897.6149.3-78.4-54.3000106.8
374D41.5Very low44Very low156 Ų156142.7 Ų142.783%0.83480%0.796SS**  trans-72.1131174.2173.750000110.3
375S40.3Very low43.5Very low99 Ų99143.4 Ų143.469%0.69280%0.803SS**  trans165.8106.1145.2-73.90000113.4
376K45.3Very low43Very low180 Ų180143.1 Ų143.178%0.78381%0.811SS**  trans67.6103.3139.8-68.5172.1179.21630121.8
377E37.9Very low42.8Very low169 Ų169145.8 Ų145.879%0.7983%0.831SS**  56.5111.2126.3-68.1173141.100120.9
378Y40.8Very low42.4Very low240 Ų240144.1 Ų144.194%0.94183%0.828SS**  -174.7118.2126.8-97.3-73.1000109.6
379P40.6Very low42.2Very low130 Ų130141.1 Ų141.184%0.84483%0.827SS**  trans-102.8141.4171.735.3-25.9000111.5
380G41.4Very low41.7Very low70 Ų70146.3 Ų146.372%0.72284%0.835SS**  trans170.2126.8166.600000115.7
381M41.8Very low41.7Very low205 Ų205145.7 Ų145.7100%1.0184%0.838SS**  trans76.5124.8164.6-55.1169.9167.500115.6
382G37.8Very low41.8Very low79 Ų79146.6 Ų146.681%0.81485%0.846SS**  cis153.7120.48.600000107.1
383R39.7Very low41.7Very low266 Ų266150.5 Ų150.5100%1.00485%0.853SS**  trans-86.6144.7177.4-65.5-167.6-166.8-117.37111.2
384G37.3Very low41.5Very low72 Ų72144 Ų14474%0.74285%0.847SS**  trans-172.2102.5159.300000108.8
385A42.2Very low41.5Very low96 Ų96140.7 Ų140.779%0.79384%0.84SS**  68.1110.782.100000113.4
386S43.3Very low42Very low130 Ų130143.6 Ų143.691%0.90985%0.847SS**  trans-166.1126.6139.7-82.10000111.3
387T41.3Very low41.9Very low149 Ų149141.3 Ų141.391%0.91485%0.848SS**  trans-102.9129-177.1-490000108.6
388A44.7Very low42.2Very low91 Ų91141.2 Ų141.275%0.75285%0.853SS**  trans179.5132.3166.600000106.2
389S46.1Very low42.1Very low115 Ų115133 Ų13380%0.80484%0.842SS**  cis-161145.810.2-72.70000107.7
390R40.9Very low42.3Very low260 Ų260132.4 Ų132.498%0.98184%0.84SS**  trans-76.1143.5170.3-66.1175.2-166.9149.33.5110.4
391G39.8Very low42.6Very low79 Ų79133.7 Ų133.781%0.81484%0.838SS**  trans143.8114.716900000108.1
392A47.2Very low42.8Very low106 Ų106131 Ų13188%0.87683%0.833SS**  cis-149.714348.900000111.6
393R42.3Very low43.1Very low256 Ų256137.6 Ų137.697%0.96683%0.833SS**  trans-89.3143.6165.6-72.3175.7173.7152-3.6108.9
394G38.6Very low43.3Very low77 Ų77130.5 Ų130.579%0.79482%0.822SS**  trans104.4111.2144.900000115.3
395A42.3Very low43.6Very low85 Ų85132 Ų13270%0.70282%0.821SS**  -169.7103.2128.400000109.9
396I50.2Low43.8Very low161 Ų161134 Ų13483%0.82682%0.823SS**  trans58117.1131.672.1-158.3000121.1
397T44.9Very low43.4Very low131 Ų131131.1 Ų131.180%0.80481%0.814SS**  trans-57133.9162.251.30000113.5
398N42.9Very low43.6Very low167 Ų167129.6 Ų129.689%0.89381%0.81SS**  trans-155.2105.4146.4-90.3-37.9000104
399G39.1Very low43.9Very low69 Ų69129.1 Ų129.171%0.71181%0.806SS**  83.776.35500000108.6
400S43.9Very low44.1Very low116 Ų116129.9 Ų129.981%0.81180%0.796SS**  trans-176.698.4150.7-82.60000112.4
401S49.3Very low44.5Very low98 Ų98123 Ų12369%0.68580%0.795SS**  trans57.289.4146.340.10000119.4R403S401-R403 PolarHBondContact O-N 3.49Å; S401-R403 VanDerWaalsContact O-N 3.07Å
402V45.2Very low45.6Very low149 Ų149122.6 Ų122.690%0.90379%0.791SS**  trans-58102.9147.9177.90000107.9
403R44.3Very low46.3Very low216 Ų216118.6 Ų118.682%0.81576%0.756SS**  trans-87.5125.6165.7-77.5-177.6160.2-135.2-2.7108.4S401 S405S401-R403 PolarHBondContact O-N 3.49Å; S401-R403 VanDerWaalsContact O-N 3.07Å; R403-S405 PolarHBondContact O-N 2.11Å
404P43.1Very low47.9Very low117 Ų117115.5 Ų115.576%0.7675%0.745SS**  trans-74.497.8165.729.9-27000107V406P404-V406 VanDerWaalsContact C-N 3.3Å; P404-V406 PolarHBondContact O-N 3.31Å
405S43.5Very low49.8Very low105 Ų105121.3 Ų121.373%0.73475%0.751SS**  trans-78.787.2175.4-166.30000109.4R403 G407R403-S405 PolarHBondContact O-N 2.11Å; S405-G407 PolarHBondContact O-N 3.31Å
406V46.8Very low51.7Low137 Ų137119.3 Ų119.383%0.8374%0.739SS**  trans-55.7126.4154.9-177.80000108.1P404P404-V406 VanDerWaalsContact C-N 3.3Å; P404-V406 PolarHBondContact O-N 3.31Å
407G35.7Very low53.7Low70 Ų70112.8 Ų112.872%0.72271%0.706SS**  trans7886.3155.400000117.6S405S405-G407 PolarHBondContact O-N 3.31Å
408S45.7Very low56Low117 Ų117107.5 Ų107.582%0.81867%0.671SS**  trans-117.680.9145.1340000108.1Q410S408-Q410 PolarHBondContact O-N 3.2Å
409A49.6Very low58.3Low81 Ų81103 Ų10367%0.66965%0.652SS**  trans-56.6126166.200000109.6
410Q50.8Low60.9Low130 Ų13099.8 Ų99.861%0.60762%0.619SS**  trans66.174.7136.8-56.5175.3-54.500116.9S408 S413S408-Q410 PolarHBondContact O-N 3.2Å; Q410-S413 VanDerWaalsContact CG-CB 3.48Å; Q410-S413 PolarHBondContact NE2-OG 2.84Å
411A50.2Low63.2Low116 Ų11697.9 Ų97.996%0.95960%0.604SS**SBendtrans-108.177.114900000108.2
412G61.4Low65.1Low70 Ų7099.7 Ų99.772%0.72260%0.602SS**SBendtrans140.6-7.617800000116.1R414G412-R414 PolarHBondContact O-N 2.92Å
413S62.7Low67.3Low22 Ų2294.7 Ų94.715%0.15457%0.573CS.*PPolyproline II helixtrans-77.7119.2172.6-167.80000108.5Q410 D417Q410-S413 VanDerWaalsContact CG-CB 3.48Å; Q410-S413 PolarHBondContact NE2-OG 2.84Å; S413-D417 WeakPolarHBondContact OG-CB 3.14Å
414R75.3Confident69.5Low192 Ų19287 Ų8773%0.72556%0.561SS**PPolyproline II helixtrans-70.9158.9167.5-67.1177.8-179.8177.5-0.8108.7G412 G416 D417G412-R414 PolarHBondContact O-N 2.92Å; R414-G416 PolarHBondContact O-N 3.23Å; R414-D417 PolarHBondContact N-OD2 3.35Å; R414-D417 PolarHBondContact O-N 3.28Å; R414-D417 VanDerWaalsContact O-N 3.14Å
415E79.4Confident71.9Confident199 Ų19983.6 Ų83.693%0.9354%0.536SS*.THydrogen-bonded Turntrans-53.3123.4170-70.3141.6-166.200109.4
416G82.3Confident74.2Confident42 Ų4282.7 Ų82.743%0.43352%0.523SS..THydrogen-bonded Turntrans100-16.6-18000000115.8R414 S429 R441R414-G416 PolarHBondContact O-N 3.23Å; G416-S429 WeakPolarHBondContact O-CA 3.48Å; G416-S429 WeakPolarHBondContact O-CB 3.38Å; G416-R441 PolarHBondContact O-NH2 3.07Å
417D91.9Very high76.4Confident25 Ų2576.3 Ų76.313%0.13448%0.483CS..  trans-66.5145.5174-65.2-21.7000110.5S413 R414 I426 N427 F428 S429S413-D417 WeakPolarHBondContact OG-CB 3.14Å; R414-D417 PolarHBondContact N-OD2 3.35Å; R414-D417 PolarHBondContact O-N 3.28Å; R414-D417 VanDerWaalsContact O-N 3.14Å; D417-I426 HydrophobicContact CB-CG2 4.01Å; D417-N427 CarbonylContact C-O 3.54Å; D417-N427 WeakPolarHBondContact CA-O 3.49Å; D417-N427 WeakPolarHBondContact CB-O 3.39Å; D417-F428 VanDerWaalsContact OD1-CA 3.28Å; D417-F428 WeakPolarHBondContact OD1-CA 3.05Å; D417-S429 PolarHBondContact OD1-N 2.75Å
418W92.2Very high79.1Confident19 Ų1978.1 Ų78.17%0.07247%0.472CS..EExtended strand (participates in β ladder)trans-127.5143.3-176.764.8-83.1000112.1C420 N427 R431 C434 R441W418-C420 HydrophobicContact CZ3-CB 4.2Å; W418-N427 HydrophobicContact CD2-CB 4.06Å; W418-N427 HydrophobicContact CG-CB 4.45Å; W418-N427 HydrophobicContact CZ2-CB 3.82Å; W418-N427 PolarHBondContact N-O 3.34Å; W418-N427 PolarHBondContact O-N 2.89Å; W418-R431 PolarHBondContact NE1-O 3.18Å; W418-C434 HydrophobicContact CH2-CB 3.93Å; W418-R441 HydrophobicContact CB-CG 4.45Å; W418-R441 VanDerWaalsContact CD1-NE 3.33Å; W418-R441 HydrophobicContact CD2-CB 4.17Å; W418-R441 HydrophobicContact CD2-CG 3.69Å; W418-R441 HydrophobicContact CE3-CB 4.23Å; W418-R441 HydrophobicContact CE3-CG 3.94Å; W418-R441 HydrophobicContact CG-CG 3.9Å; W418-R441 HydrophobicContact CH2-CB 4.18Å; W418-R441 HydrophobicContact CZ2-CB 4.12Å; W418-R441 HydrophobicContact CZ3-CB 4.23Å; W418-R441 HydrophobicContact CZ3-CG 4.44Å
419S92.8Very high81.2Confident72 Ų7275.2 Ų75.250%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-89.8128.6179.3-56.50000111.1N425S419-N425 CarbonylContact C-O 3.59Å; S419-N425 WeakPolarHBondContact CA-O 3.43Å
420C93.7Very high83.1Confident2 Ų280.2 Ų80.21%0.01445%0.453CS..  trans-58.3122.9176.1164.60000109.9W418 Q422 C423 G424 N425 C434 C437W418-C420 HydrophobicContact CZ3-CB 4.2Å; C420-Q422 PolarHBondContact O-N 2.85Å; C420-Q422 PolarHBondContact SG-N 3.08Å; C420-C423 PolarHBondContact SG-N 3.29Å; C420-G424 VanDerWaalsContact O-CA 3.28Å; C420-G424 WeakPolarHBondContact O-CA 3.26Å; C420-G424 PolarHBondContact O-N 2.98Å; C420-N425 PolarHBondContact N-O 3.04Å; C420-C434 HydrophobicContact CB-CB 3.69Å; C420-C434 WeakPolarHBondContact CB-SG 3.38Å; C420-C437 WeakPolarHBondContact CB-SG 3.03Å; C420-C437 WeakPolarHBondContact SG-CB 3.13Å; C420-C437 CovalentContact SG-SG 2.11Å; C420-C437 PolarHBondContact SG-SG 3.48Å
421P90.5Very high85Confident76 Ų7677 Ų7749%0.49444%0.436SS..THydrogen-bonded Turntrans-68-22.417926.8-33.6000112.6
422Q89.5Confident87Confident136 Ų13678.8 Ų78.864%0.63642%0.424SS*.THydrogen-bonded Turntrans-86-33.4-179-64.5-70.2-55.600113.6C420 C437 S439C420-Q422 PolarHBondContact O-N 2.85Å; C420-Q422 PolarHBondContact SG-N 3.08Å; Q422-C437 HydrophobicContact CB-CB 4.41Å; Q422-S439 WeakPolarHBondContact CB-OG 3.44Å; Q422-S439 VanDerWaalsContact CG-OG 3.26Å; Q422-S439 WeakPolarHBondContact CG-OG 3.46Å
423C92.6Very high88.5Confident45 Ų4580.3 Ų80.330%0.30441%0.412SS..THydrogen-bonded Turntrans-134.40.6-17384.20000115.5C420 N425 C437C420-C423 PolarHBondContact SG-N 3.29Å; C423-N425 VanDerWaalsContact C-N 3.26Å; C423-N425 PolarHBondContact O-N 3.12Å; C423-N425 VanDerWaalsContact SG-CB 3.52Å; C423-C437 HydrophobicContact CB-CB 3.73Å; C423-C437 VanDerWaalsContact SG-CB 3.54Å
424G90.3Very high90Very high55 Ų5579.3 Ų79.357%0.56741%0.405SS*.  trans70.58.817900000116.1C420C420-G424 VanDerWaalsContact O-CA 3.28Å; C420-G424 WeakPolarHBondContact O-CA 3.26Å; C420-G424 PolarHBondContact O-N 2.98Å
425N92.7Very high90.9Very high44 Ų4474.5 Ų74.524%0.23539%0.394CS..  trans-73.2132.8178.8-175.368.7000111.4S419 C420 C423 N427 R436S419-N425 CarbonylContact C-O 3.59Å; S419-N425 WeakPolarHBondContact CA-O 3.43Å; C420-N425 PolarHBondContact N-O 3.04Å; C423-N425 VanDerWaalsContact C-N 3.26Å; C423-N425 PolarHBondContact O-N 3.12Å; C423-N425 VanDerWaalsContact SG-CB 3.52Å; N425-N427 PolarHBondContact ND2-OD1 3.02Å; N425-N427 PolarHBondContact O-ND2 3.37Å; N425-N427 VanDerWaalsContact O-ND2 3.08Å; N425-R436 HydrophobicContact CB-CB 3.83Å
426I92.3Very high91.4Very high87 Ų8773.8 Ų73.845%0.44638%0.383SS..EExtended strand (participates in β ladder)trans-77.1123.9173.4-58.2178.2000108.8D417D417-I426 HydrophobicContact CB-CG2 4.01Å
427N92.4Very high91.9Very high2 Ų273.7 Ų73.71%0.01138%0.375CS..EExtended strand (participates in β ladder)trans-113145.2179.4-58.1-71.1000110.1D417 W418 N425 C434 N435D417-N427 CarbonylContact C-O 3.54Å; D417-N427 WeakPolarHBondContact CA-O 3.49Å; D417-N427 WeakPolarHBondContact CB-O 3.39Å; W418-N427 HydrophobicContact CD2-CB 4.06Å; W418-N427 HydrophobicContact CG-CB 4.45Å; W418-N427 HydrophobicContact CZ2-CB 3.82Å; W418-N427 PolarHBondContact N-O 3.34Å; W418-N427 PolarHBondContact O-N 2.89Å; N425-N427 PolarHBondContact ND2-OD1 3.02Å; N425-N427 PolarHBondContact O-ND2 3.37Å; N425-N427 VanDerWaalsContact O-ND2 3.08Å; N427-C434 PolarHBondContact ND2-SG 3.3Å; N427-C434 VanDerWaalsContact OD1-CA 3.28Å; N427-C434 WeakPolarHBondContact OD1-CA 3.28Å; N427-C434 PolarHBondContact OD1-SG 2.73Å; N427-N435 PolarHBondContact OD1-N 3.05Å
428F92.1Very high91.9Very high108 Ų10878 Ų7847%0.47439%0.394SS..  trans-59.1144.4175.1-67.3-70.3000111.7D417 W430 R431D417-F428 VanDerWaalsContact OD1-CA 3.28Å; D417-F428 WeakPolarHBondContact OD1-CA 3.05Å; F428-W430 VanDerWaalsContact CB-CD1 3.49Å; F428-W430 HydrophobicContact CB-CG 4.36Å; F428-W430 VanDerWaalsContact CB-NE1 3.31Å; F428-W430 AromaticContact CG-NE1 3.81Å; F428-W430 PolarHBondContact O-N 3.29Å; F428-R431 HydrophobicContact CB-CG 4.43Å; F428-R431 PolarHBondContact O-N 3.39Å
429S90.6Very high91.7Very high56 Ų5678.6 Ų78.639%0.39240%0.401SS..THydrogen-bonded Turntrans-48.7-30.9-17865.30000116.3G416 D417 R441G416-S429 WeakPolarHBondContact O-CA 3.48Å; G416-S429 WeakPolarHBondContact O-CB 3.38Å; D417-S429 PolarHBondContact OD1-N 2.75Å; S429-R441 PolarHBondContact O-NH1 3.36Å
430W90.2Very high91.5Very high186 Ų18678.3 Ų78.371%0.70540%0.397SS*.THydrogen-bonded Turntrans-80.6-12.4-179.666-95.2000114.5F428F428-W430 VanDerWaalsContact CB-CD1 3.49Å; F428-W430 HydrophobicContact CB-CG 4.36Å; F428-W430 VanDerWaalsContact CB-NE1 3.31Å; F428-W430 AromaticContact CG-NE1 3.81Å; F428-W430 PolarHBondContact O-N 3.29Å
431R90.8Very high91Very high64 Ų6483.8 Ų83.824%0.24242%0.417CS..  trans-85.6133.6-179-62.9-175.3113.8162.4-6.7110.5W418 F428 N435W418-R431 PolarHBondContact NE1-O 3.18Å; F428-R431 HydrophobicContact CB-CG 4.43Å; F428-R431 PolarHBondContact O-N 3.39Å; R431-N435 VanDerWaalsContact CZ-OD1 3.26Å; R431-N435 PolarHBondContact NH1-ND2 3Å; R431-N435 PolarHBondContact NH1-OD1 2.83Å; R431-N435 PolarHBondContact NH2-OD1 2.76Å
432E91Very high90.2Very high153 Ų15384.4 Ų84.472%0.71542%0.423SS*.SBendtrans-89.5-24.2171.9-63.3-176.1168.400112.6T440 R441E432-T440 CarbonylContact O-C 3.54Å; E432-T440 WeakPolarHBondContact O-CA 3.32Å; E432-R441 PolarHBondContact O-N 3.24Å
433Q93.3Very high88.6Confident101 Ų10180.2 Ų80.247%0.47242%0.416SS..BIsolated β-bridgetrans-120.3146.9-179-62.1175.329.500110.2S439Q433-S439 WeakPolarHBondContact CA-O 3.38Å
434C95.3Very high86.4Confident1 Ų183.6 Ų83.61%0.00743%0.431CS..  trans-73.6136.4-177.9177.30000112.9W418 C420 N427 R436 C437 Q438 S439W418-C434 HydrophobicContact CH2-CB 3.93Å; C420-C434 HydrophobicContact CB-CB 3.69Å; C420-C434 WeakPolarHBondContact CB-SG 3.38Å; N427-C434 PolarHBondContact ND2-SG 3.3Å; N427-C434 VanDerWaalsContact OD1-CA 3.28Å; N427-C434 WeakPolarHBondContact OD1-CA 3.28Å; N427-C434 PolarHBondContact OD1-SG 2.73Å; C434-R436 PolarHBondContact O-N 3.33Å; C434-R436 PolarHBondContact SG-N 2.79Å; C434-C437 HydrophobicContact CB-CB 4.4Å; C434-C437 WeakPolarHBondContact CB-SG 3.28Å; C434-C437 PolarHBondContact SG-N 2.79Å; C434-C437 PolarHBondContact SG-SG 3.35Å; C434-Q438 VanDerWaalsContact O-CA 3.23Å; C434-Q438 WeakPolarHBondContact O-CA 3.48Å; C434-Q438 PolarHBondContact O-N 2.91Å; C434-S439 PolarHBondContact N-O 3.14Å
435N92.6Very high84Confident91 Ų9185 Ų8549%0.48745%0.446SS..THydrogen-bonded Turntrans-61.9-14.4176.1-161.237000115.5N427 R431N427-N435 PolarHBondContact OD1-N 3.05Å; R431-N435 VanDerWaalsContact CZ-OD1 3.26Å; R431-N435 PolarHBondContact NH1-ND2 3Å; R431-N435 PolarHBondContact NH1-OD1 2.83Å; R431-N435 PolarHBondContact NH2-OD1 2.76Å
436R90.4Very high81.6Confident184 Ų18486.6 Ų86.669%0.69446%0.461SS*.THydrogen-bonded Turntrans-114.5-48.8-174.6-169.6178.1-174.3-175.81.9112.2N425 C434N425-R436 HydrophobicContact CB-CB 3.83Å; C434-R436 PolarHBondContact O-N 3.33Å; C434-R436 PolarHBondContact SG-N 2.79Å
437C93.5Very high79.1Confident40 Ų4090 Ų9027%0.2748%0.48SS..THydrogen-bonded Turntrans-100.6-11.3-174.267.40000113.1C420 Q422 C423 C434 S439C420-C437 WeakPolarHBondContact CB-SG 3.03Å; C420-C437 WeakPolarHBondContact SG-CB 3.13Å; C420-C437 CovalentContact SG-SG 2.11Å; C420-C437 PolarHBondContact SG-SG 3.48Å; Q422-C437 HydrophobicContact CB-CB 4.41Å; C423-C437 HydrophobicContact CB-CB 3.73Å; C423-C437 VanDerWaalsContact SG-CB 3.54Å; C434-C437 HydrophobicContact CB-CB 4.4Å; C434-C437 WeakPolarHBondContact CB-SG 3.28Å; C434-C437 PolarHBondContact SG-N 2.79Å; C434-C437 PolarHBondContact SG-SG 3.35Å; C437-S439 PolarHBondContact O-N 2.96Å; C437-S439 PolarHBondContact O-OG 2.93Å; C437-S439 WeakPolarHBondContact SG-CB 3.28Å; C437-S439 PolarHBondContact SG-N 2.93Å; C437-S439 PolarHBondContact SG-OG 3.2Å
438Q90.5Very high76.4Confident116 Ų11697 Ų9754%0.54252%0.517SS..  trans54.76.5-168.8-57.7-60.8-21.600115.7C434C434-Q438 VanDerWaalsContact O-CA 3.23Å; C434-Q438 WeakPolarHBondContact O-CA 3.48Å; C434-Q438 PolarHBondContact O-N 2.91Å
439S88.5Confident74.1Confident31 Ų3195.9 Ų95.922%0.21752%0.521CS..  trans-69.1145.4176.2-42.80000111Q422 Q433 C434 C437Q422-S439 WeakPolarHBondContact CB-OG 3.44Å; Q422-S439 VanDerWaalsContact CG-OG 3.26Å; Q422-S439 WeakPolarHBondContact CG-OG 3.46Å; Q433-S439 WeakPolarHBondContact CA-O 3.38Å; C434-S439 PolarHBondContact N-O 3.14Å; C437-S439 PolarHBondContact O-N 2.96Å; C437-S439 PolarHBondContact O-OG 2.93Å; C437-S439 WeakPolarHBondContact SG-CB 3.28Å; C437-S439 PolarHBondContact SG-N 2.93Å; C437-S439 PolarHBondContact SG-OG 3.2Å
440T88.5Confident71.9Confident67 Ų6799.6 Ų99.641%0.41154%0.536SS..BIsolated β-bridgetrans-64.3151.9176.943.10000111.5E432 S442E432-T440 CarbonylContact O-C 3.54Å; E432-T440 WeakPolarHBondContact O-CA 3.32Å; T440-S442 WeakPolarHBondContact CB-O 3.46Å; T440-S442 CarbonylContact O-C 3.57Å; T440-S442 PolarHBondContact O-N 3.38Å; T440-S442 PolarHBondContact OG1-O 3.19Å
441R83Confident69.9Low116 Ų11696.7 Ų96.744%0.43854%0.539SS..SBendtrans-52.1-40.2176.5-171.2176.4-150.11668.4112.8G416 W418 S429 E432G416-R441 PolarHBondContact O-NH2 3.07Å; W418-R441 HydrophobicContact CB-CG 4.45Å; W418-R441 VanDerWaalsContact CD1-NE 3.33Å; W418-R441 HydrophobicContact CD2-CB 4.17Å; W418-R441 HydrophobicContact CD2-CG 3.69Å; W418-R441 HydrophobicContact CE3-CB 4.23Å; W418-R441 HydrophobicContact CE3-CG 3.94Å; W418-R441 HydrophobicContact CG-CG 3.9Å; W418-R441 HydrophobicContact CH2-CB 4.18Å; W418-R441 HydrophobicContact CZ2-CB 4.12Å; W418-R441 HydrophobicContact CZ3-CB 4.23Å; W418-R441 HydrophobicContact CZ3-CG 4.44Å; S429-R441 PolarHBondContact O-NH1 3.36Å; E432-R441 PolarHBondContact O-N 3.24Å
442S74.1Confident67.4Low89 Ų89100.9 Ų100.962%0.62257%0.567SS**SBendtrans-92.2116.1168.3-53.90000107.2T440 D444T440-S442 WeakPolarHBondContact CB-O 3.46Å; T440-S442 CarbonylContact O-C 3.57Å; T440-S442 PolarHBondContact O-N 3.38Å; T440-S442 PolarHBondContact OG1-O 3.19Å; S442-D444 PolarHBondContact O-N 3.48Å
443G56.2Low65.4Low48 Ų4899.2 Ų99.250%0.49557%0.572SS.*  trans-6936.6-175.800000115.3
444D46.5Very low63.3Low116 Ų116105.4 Ų105.462%0.6259%0.591SS**  trans-112.5101.7-174.9-108.5-47.1000110.9S442 S446S442-D444 PolarHBondContact O-N 3.48Å; D444-S446 PolarHBondContact O-N 2.98Å; D444-S446 PolarHBondContact OD1-OG 3.07Å
445G40.5Very low61.2Low85 Ų85112.7 Ų112.788%0.87663%0.63SS**  trans-77.140.9157.100000111.6
446S41.9Very low59Low77 Ų77115 Ų11554%0.53864%0.642SS.*  trans-108.3105172.849.30000109.2D444 N448D444-S446 PolarHBondContact O-N 2.98Å; D444-S446 PolarHBondContact OD1-OG 3.07Å; S446-N448 PolarHBondContact O-N 3.26Å
447N39Very low57.1Low159 Ų159113.7 Ų113.785%0.8565%0.648SS**  trans-44.6129.2169.3-64.2-64.2000111.3
448N37Very low54.6Low149 Ų149118.8 Ų118.880%0.79767%0.673SS**  trans-47.6153.3150-16236.1000109.6S446S446-N448 PolarHBondContact O-N 3.26Å
449P42.3Very low52.3Low85 Ų85117.3 Ų117.355%0.55268%0.681SS**  cis-140-177.116.230.8-5.2000115.4
450D44.8Very low50.5Low134 Ų134120.6 Ų120.672%0.71770%0.699SS**  trans85.3126.6151.6-58-37.1000120.8
451T48.1Very low48.4Very low124 Ų124124.6 Ų124.676%0.76172%0.724SS**  trans74.995.9143.148.10000119.2S453T451-S453 PolarHBondContact O-N 3.15Å
452N39.4Very low46.7Very low153 Ų153129.6 Ų129.682%0.81874%0.743SS**  38.984.2117.2-159.316.1000116.2
453S49.1Very low45.4Very low118 Ų118130.8 Ų130.883%0.82575%0.751SS**  trans-14871.3156.5-83.80000110.7T451 N455T451-S453 PolarHBondContact O-N 3.15Å; S453-N455 PolarHBondContact O-N 3.35Å
454R47.8Very low44.9Very low230 Ų230132.7 Ų132.787%0.86876%0.762SS**  trans-67102.6143.1-69.7178.9-175150.21.6106.4
455N52Low44.6Very low154 Ų154135.8 Ų135.882%0.82477%0.773SS**  trans160.3131.6140.5-84.5-21.7000111S453S453-N455 PolarHBondContact O-N 3.35Å
456N46.9Very low45.3Very low141 Ų141137.1 Ų137.175%0.75477%0.766SS**  trans90.6137.1144-142.6-14.6000117.8
457L50.4Low45.9Very low155 Ų155139.6 Ų139.681%0.81278%0.78SS**  trans78.8109.2167.2-45.9160.6000112.7
458N41.3Very low46.7Very low147 Ų147138.6 Ų138.679%0.78678%0.779SS**  -161.297.170.1-165.70.9000110.6
459A41Very low47.1Very low86 Ų86135.7 Ų135.771%0.71178%0.777SS**  trans-69.5139144.800000108
460T49.9Very low47.4Very low100 Ų100137.3 Ų137.361%0.61378%0.784SS**  trans127.880.1157.6-52.40000112.6R462T460-R462 HydrophobicContact CG2-CB 3.6Å; T460-R462 HydrophobicContact CG2-CG 3.71Å; T460-R462 PolarHBondContact O-N 3.22Å; T460-R462 VanDerWaalsContact O-N 3.15Å
461T45.6Very low47.4Very low150 Ų150139.2 Ų139.292%0.9279%0.791SS**  trans-68.988.7140.331.80000107.8
462R46.7Very low47.1Very low221 Ų221140.3 Ų140.383%0.83479%0.792SS**  trans-123.5107.8154.8-81.2-176.9174.3-174.80.1108.1T460T460-R462 HydrophobicContact CG2-CB 3.6Å; T460-R462 HydrophobicContact CG2-CG 3.71Å; T460-R462 PolarHBondContact O-N 3.22Å; T460-R462 VanDerWaalsContact O-N 3.15Å
463S47.1Very low47.1Very low115 Ų115136.9 Ų136.980%0.80478%0.78SS**  trans-53135.5158.8-30.80000109.8
464A44.8Very low47.1Very low87 Ų87136.4 Ų136.472%0.71978%0.777SS**  trans78.1100.7145.500000118.1
465Q41.6Very low47.3Very low181 Ų181129.8 Ų129.885%0.84677%0.766SS**  139.6133.7108.5-69.2-163.4-25.600112.4
466P55.8Low47.2Very low113 Ų113130.7 Ų130.773%0.73477%0.765SS**  trans-88.1149.5167.735.6-30000110.6
467P52.5Low47.3Very low130 Ų130131 Ų13184%0.84476%0.762SS**  trans-92.8112161.732.6-24000109.1
468V55.9Low47.2Very low137 Ų137128.4 Ų128.483%0.8376%0.757SS**  trans-106.7131.3155.3-71.10000108.2
469A46.5Very low47.6Very low89 Ų89129 Ų12974%0.73676%0.76SS**  trans-77.3166.9-175.800000112
470V48.5Very low48.4Very low118 Ų118129.9 Ų129.972%0.71576%0.759SS**  trans95.396.3152.4-168.10000116.9
471M45.4Very low48.1Very low175 Ų175128.7 Ų128.786%0.86277%0.767SS**  trans76.8115.8131.1-66.9175.5-175.600121.1
472N40.2Very low48.3Very low146 Ų146131.1 Ų131.178%0.78176%0.764SS**  87.2102.2121.4-158.228.8000117.8
473S41.1Very low48.1Very low81 Ų81123.6 Ų123.657%0.56676%0.756SS**  152.4130104.8-60.60000109.6
474S47.5Very low48.3Very low109 Ų109130.5 Ų130.576%0.76276%0.764SS**  trans56.6130.4150.251.80000118.3
475S51.6Low48.2Very low90 Ų90130 Ų13063%0.62977%0.767SS**  cis169.1136.21240.90000105.4
476Q51.2Low48.4Very low174 Ų174125.3 Ų125.381%0.81377%0.768SS**  trans70139.1149.8-60.6-170.851.300117.5
477Q48.5Very low47.9Very low146 Ų146123.5 Ų123.568%0.68276%0.762SS**  cis-170.6148.7-2.2-160103.3-2.100107.6
478S49.4Very low48Very low102 Ų102126.2 Ų126.271%0.71377%0.766SS**  trans68.3136.9147.168.10000119.6
479N49.1Very low47.6Very low159 Ų159126.3 Ų126.385%0.8576%0.762SS**  cis-163.6144.44.5-133.42.2000109.6
480P57.4Low48Very low105 Ų105127.5 Ų127.568%0.68276%0.762SS**  trans-111.4164.4-179.338.6-28.5000114.5
481G43.7Very low48Very low75 Ų75127.5 Ų127.577%0.77376%0.762SS**  trans-128.2118.1175.700000113.3
482F49.3Very low48Very low200 Ų200125 Ų12588%0.87776%0.762SS**  trans-54.3162.1-179.9-51.5-94.7000115
483G43.8Very low48.2Very low63 Ų63121.6 Ų121.665%0.64976%0.761SS**  cis-165.2155.715.500000111.4
484R50.3Low48.4Very low261 Ų261122.6 Ų122.699%0.98578%0.775SS**  51.1126.6105.8-67.6-170.1-178-145.42.5114.2
485G43.3Very low48.4Very low76 Ų76125.4 Ų125.478%0.78478%0.781SS**  cis162.1153.74.700000110.2
486G44.6Very low48.2Very low83 Ų83133 Ų13386%0.85680%0.796SS**  trans70.7157.9158.400000118
487A47.1Very low48Very low74 Ų74128.7 Ų128.761%0.61280%0.798SS**  cis-177.4164.8-18.300000105.9
488M54.1Low48.1Very low188 Ų188125.2 Ų125.293%0.92680%0.801SS**  trans73.2140159.3-19-170.4-163.400115.3
489N47.3Very low48.4Very low138 Ų138132.9 Ų132.974%0.73881%0.814SS**  cis-171144.815.3-177.40.5000107.1
490P54Low48.4Very low114 Ų114129.4 Ų129.474%0.7482%0.817SS**  trans-93.6144.8175.935-33.6000113
491T49.5Very low48.1Very low119 Ų119128.5 Ų128.573%0.7383%0.826SS**  trans-158.2122.9167.9-56.30000111.7
492S46.1Very low48.3Very low121 Ų121128.7 Ų128.785%0.84683%0.828SS**  trans54.3129.8143.2-49.60000122.2
493G42.8Very low48.7Very low75 Ų75124.8 Ų124.877%0.77382%0.823SS**  trans17462.4161.200000114N495G493-N495 PolarHBondContact O-N 3.4Å
494A46.2Very low49.2Very low103 Ų103130.8 Ų130.885%0.85184%0.836SS**  trans-64.3123.5163.900000109.3
495N48.3Very low49.3Very low167 Ų167130.3 Ų130.389%0.89384%0.835SS**  trans-134.3111.4161.3-103.3-28.3000110.2G493G493-N495 PolarHBondContact O-N 3.4Å
496R47.4Very low49.3Very low251 Ų251130.1 Ų130.195%0.94783%0.833SS**  trans-67.9148.9163.4-75.1174.5-177.4157.11.6109.6
497G46.6Very low49.3Very low83 Ų83132 Ų13286%0.85683%0.833SS**  trans141.2129.1142.300000116.2
498G49.8Very low49.3Very low72 Ų72134 Ų13474%0.74284%0.842SS**  trans114.883.9158.500000113.7
499R55.4Low49.1Very low263 Ų263132 Ų13299%0.99284%0.84SS**  66.9120.577.1-73.8-165.7180-159.71.8115.5
500G49.4Very low49.1Very low87 Ų87129.2 Ų129.290%0.89784%0.844SS**  trans125.4118.2155.200000112.5
501G52Low49Very low85 Ų85130.2 Ų130.288%0.87685%0.848SS**  cis160.3133.42.400000109.1
502G47.4Very low48.6Very low80 Ų80127.9 Ų127.983%0.82585%0.847SS**  trans126.8104.6154.800000118.6
503P58.2Low48.8Very low117 Ų117133.9 Ų133.976%0.7685%0.852SS**  trans-121144.1155.936.3-23.1000112.8
504M53Low49Very low189 Ų189135.2 Ų135.293%0.93186%0.855SS**  trans-152.4116.3164.8-66.5-68.9179.800105.8
505R52.6Low49.1Very low252 Ų252141.9 Ų141.995%0.95186%0.858SS**  cis67.912038.5-99.3-169.7-172.5-98.31.7116
506G43.5Very low49.7Very low72 Ų72140.1 Ų140.174%0.74286%0.856SS**  trans111.8104.7157.300000113.9
507S45Very low49.6Very low123 Ų123132.3 Ų132.386%0.8685%0.845SS**  87106.356.6-65.50000114.5
508S47.4Very low50.2Low115 Ų115133.9 Ų133.980%0.80484%0.84SS**  trans175.592.9142.643.90000109.2
509V49.8Very low50.3Low146 Ų146145.2 Ų145.289%0.88586%0.863SS**  19.9107.898.7-166.80000114.1
510G47.5Very low50.1Low79 Ų79139.3 Ų139.381%0.81486%0.856SS**  trans-150.793.1172.600000109.6
511T51.5Low50.1Low135 Ų135142.1 Ų142.183%0.82885%0.854SS**  trans-60.1135.6178.5420000114.4
512G41.7Very low50Low70 Ų70145.2 Ų145.272%0.72285%0.853SS**  100.3148.3126.200000119.1
513R48.8Very low50.2Low248 Ų248149.1 Ų149.194%0.93685%0.854SS**  trans91.889.1164.1-54.4-179.6-175.7-1670.5113.9
514A48Very low49.7Very low102 Ų102151.1 Ų151.184%0.84386%0.86SS**  65.1122.87400000112.9
515R48.7Very low49.4Very low243 Ų243148.5 Ų148.592%0.91786%0.856SS**  trans-54.3163.4-178.6-64.6175.3164.9-169.5-5.8113
516P58.9Low49.2Very low130 Ų130141.1 Ų141.184%0.84485%0.849SS**  -135.4148.3111.333.5-20.5000113.6
517A46.5Very low49.7Very low87 Ų87146.5 Ų146.572%0.71986%0.857SS**  trans-103.3-178151.800000107.3
518P58.8Low50Low116 Ų116148.4 Ų148.475%0.75386%0.857SS**  -113.8176.4-71.235.6-21.8000111.4
519Y52.7Low50.3Low310 Ų310151.5 Ų151.5100%1.21686%0.862SS**  trans-130.30151.3-111.7-80.2000108.2

Retrieved 519 of 519 residues in 58.9 ms (Link to these results)