A0A087Y4N6_POEFO Loading...

Zic family member 3 heterotaxy 1 (odd-paired homolog, Drosophila)

AlphaFold DB (A0A3B3U611), UniProt , Accession A0A087Y4N6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 445 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low40Very low238 Ų238155.2 Ų155.2100%1.17285%0.854SS**  0102.20-87.475.5172.500108.6
2T39.8Very low39.3Very low137 Ų137149.8 Ų149.884%0.8485%0.845SS**  trans-146.7150.9174.725.60000107.8
3M38.8Very low38.9Very low173 Ų173146.5 Ų146.585%0.85284%0.838SS**  trans101.3127175.6-56.5-72.8-145.700116.3
4L39Very low38.7Very low161 Ų161148.9 Ų148.984%0.84385%0.845SS**  trans169.599.9133-87.5167.1000106.7
5L43.8Very low38Very low159 Ų159143.9 Ų143.983%0.83284%0.839SS**  79131.774.5-77.8172.8000115.8
6D40.7Very low38.1Very low147 Ų147144.9 Ų144.979%0.78685%0.848SS**  trans-80.3158-176.5-171.78.7000112.9
7S37.4Very low37.5Very low118 Ų118140.9 Ų140.983%0.82584%0.844SS**  trans-169.5111.9166.6-66.30000111.4
8G31.5Very low37.2Very low71 Ų71136.9 Ų136.973%0.73284%0.836SS**  trans-83.9-147.2164.800000112.6
9P60.9Low37.1Very low117 Ų117141.5 Ų141.576%0.7684%0.844SS**  cis-130.2-174.5-28.840.3-24.4000112.4
10Q35.7Very low36.6Very low186 Ų186138.4 Ų138.487%0.86984%0.843SS**  trans-166.5122.9142.9-68.8-147.656.100115.2
11F32.7Very low36.7Very low200 Ų200138.2 Ų138.288%0.87784%0.842SS**  trans5.6161.5143.1-71.8-85.5000123.2
12A31.9Very low36.9Very low91 Ų91132.2 Ų132.275%0.75282%0.821SS**  cis-166.3-174.96.400000111.7
13S34.1Very low36.6Very low107 Ų107137 Ų13775%0.74882%0.824SS**  trans-113.9179.5-149-39.70000117.8
14L35.9Very low36.5Very low180 Ų180136.1 Ų136.194%0.94282%0.817SS**  trans89.4140.8155.5-60158.2000118.1
15G28.1Very low36.2Very low73 Ų73137.9 Ų137.975%0.75382%0.821SS**  cis-168.5-160.516.400000115.1
16V39.4Very low35.4Very low161 Ų161135.5 Ų135.598%0.97681%0.809SS**  trans-115155.6-149.4175.80000114.7
17G28.5Very low35.1Very low77 Ų77136.3 Ų136.379%0.79481%0.811SS**  trans138.5145.9154.500000113.7
18G31.9Very low34.6Very low68 Ų68134.4 Ų134.470%0.70181%0.81SS**  cis170.1146.30.900000109.9
19F34.2Very low34.5Very low225 Ų225138.7 Ų138.799%0.98782%0.816SS**  trans16.8141.4162.4-63.1-87.2000125.5
20G27.2Very low33Very low79 Ų79145 Ų14581%0.81483%0.825SS**  trans167109.4149.800000117.2
21T38.5Very low32.7Very low134 Ų134143.2 Ų143.282%0.82282%0.821SS**  trans-84158.3158.255.20000109.6
22P45.1Very low33.3Very low113 Ų113139.7 Ų139.773%0.73482%0.819SS**  -163.5176.564.942.2-18.4000120.2
23R32.6Very low33Very low237 Ų237138.3 Ų138.389%0.89481%0.813SS**  trans82.3114.9140.2-88.6176.2172.6178.3-2.1124.8
24H36.6Very low32.8Very low154 Ų154142 Ų14271%0.71382%0.823SS**  trans9.5136.3130.5-97.2-98.8000121.5D26H24-D26 IonicContact ND1-OD2 3.61Å
25H32.9Very low32.3Very low199 Ų199136.8 Ų136.892%0.92181%0.812SS**  trans-149.6141.6135.9-115.4-74.6000112.2
26D28.2Very low32.4Very low109 Ų109141.8 Ų141.858%0.58382%0.821SS**  trans-100.3154.4-168.3-97.7-62.9000114.4H24H24-D26 IonicContact ND1-OD2 3.61Å
27I33.2Very low32.2Very low164 Ų164140.1 Ų140.184%0.84181%0.807SS**  trans66128.3139.7-58.2161.2000121.2
28G27.6Very low32.8Very low77 Ų77142.3 Ų142.379%0.79481%0.807SS**  trans178.495.4156.800000116.3
29N30.5Very low32.7Very low161 Ų161147.4 Ų147.486%0.86181%0.81SS**  trans-44.9144.9174.3-100.6-21.2000117.6
30R29.5Very low32.7Very low249 Ų249141.2 Ų141.294%0.9480%0.795SS**  trans-172.2110.7137.5-108.5173.1176.1175.9-0.5112.7
31D29.1Very low32.7Very low150 Ų150144.8 Ų144.880%0.80280%0.795SS**  trans-86.7163.1151.7-91.6-46000109
32P44.4Very low32.3Very low126 Ų126143.9 Ų143.982%0.81879%0.794SS**  cis-146.7165.935.539.3-18.3000118.4
33G25.7Very low31.6Very low61 Ų61144.4 Ų144.463%0.62980%0.801SS**  trans123.9124.613100000119.2
34L29.8Very low31.6Very low186 Ų186142.2 Ų142.297%0.97480%0.8SS**  trans75120.5158.2-43.4177.4000115.4
35G26Very low31.4Very low69 Ų69140.8 Ų140.871%0.71181%0.808SS**  cis173.9162.2500000108.8
36L28.9Very low31.2Very low178 Ų178136.3 Ų136.393%0.93281%0.805SS**  trans80.189.3164.2-50.1179.8000118.8
37N35.2Very low31.3Very low127 Ų127135.5 Ų135.568%0.67981%0.813SS**  trans-82.8160.9142.5-86.5-24.5000109F39N37-F39 HydrophobicContact CB-CD2 4.11Å
38P41.3Very low31Very low123 Ų123138 Ų13880%0.79982%0.818SS**  -144.3142.366.431.8-9.1000115.2
39F30.1Very low31.1Very low175 Ų175143.6 Ų143.677%0.76882%0.821SS**  67126.372.1-87.5-74.6000117.3N37N37-F39 HydrophobicContact CB-CD2 4.11Å
40S34.2Very low31.1Very low94 Ų94144.1 Ų144.166%0.65782%0.822SS**  trans-74.2156.9174.748.30000114.8
41D28.4Very low31Very low154 Ų154137.3 Ų137.382%0.82481%0.813SS**  trans43.2123.8148.2-71.3-23.6000121.1
42S29.3Very low32.2Very low116 Ų116135.9 Ų135.981%0.81181%0.811SS**  176.9142.5121.5-82.20000112.5
43S31.1Very low31.5Very low123 Ų123136.8 Ų136.886%0.8681%0.814SS**  trans-152.9100.3141.139.40000111.3
44H32.1Very low31.8Very low192 Ų192137.9 Ų137.989%0.88982%0.818SS**  trans-86.5144151.7-87.6-93.7000108.5
45S31Very low31.9Very low124 Ų124138 Ų13887%0.86781%0.813SS**  trans-109.5134.8172.432.70000109.5
46A28.8Very low32Very low105 Ų105141.6 Ų141.687%0.86882%0.816SS**  trans-134.6143.6164.700000108.7
47A30.4Very low32.1Very low91 Ų91141.2 Ų141.275%0.75281%0.813SS**  trans-87.9156.2-168.700000113.6
48F27.3Very low31.7Very low217 Ų217138.8 Ų138.895%0.95281%0.81SS**  trans-140132149.7-91.5-82.1000109.8
49K30.5Very low31.3Very low194 Ų194138.3 Ų138.384%0.84381%0.81SS**  trans-105.6143.5163.7-88.4-179.4173.8177.70108
50I29.2Very low31.3Very low172 Ų172135.1 Ų135.188%0.88281%0.809SS**  -173.4133.9125.6-84.7150.3000107
51S28.3Very low31.4Very low107 Ų107138.8 Ų138.875%0.74882%0.816SS**  trans-93.3-161.8177.3-54.70000111
52P55.1Low31.6Very low119 Ų119137.5 Ų137.577%0.77381%0.814SS**  -123.1163.3-74.635.5-19.6000112.6
53V27.9Very low31.6Very low146 Ų146137.6 Ų137.689%0.88582%0.815SS**  trans-144.9129.4159.11750000109.9
54A32.7Very low31.6Very low84 Ų84135.7 Ų135.769%0.69481%0.806SS**  trans-85.9152.1171.300000111.1
55H32Very low31.4Very low188 Ų188136.7 Ų136.787%0.8781%0.808SS**  trans-165.5142.4138.5-100.9-67.4000111.6
56D27.3Very low31.6Very low145 Ų145136.9 Ų136.978%0.77581%0.805SS**  trans-69.9-177.9-171.2-74.1-66000118.1
57I31.5Very low33.2Very low169 Ų169137.4 Ų137.487%0.86780%0.799SS**  trans104.3126.9152.6-53171.2000113.1
58A27.4Very low33.2Very low76 Ų76142.8 Ų142.863%0.62881%0.809SS**  cis-158.4137.28.300000107.7
59S31.9Very low33.3Very low114 Ų114136.3 Ų136.380%0.79780%0.795SS**  81.7143.383.5-51.50000117.1
60S31.4Very low33.4Very low107 Ų107134 Ų13475%0.74880%0.797SS**  trans97.2124.6170.193.30000114
61Q35.4Very low33.4Very low172 Ų172129 Ų12980%0.80479%0.788SS**  cis-149.4150.212.2-67.3-174.725.800111.8
62T32.1Very low33.5Very low127 Ų127135 Ų13578%0.77980%0.796SS**  trans-23.9150.9149.7500000115.5
63S31.1Very low32.2Very low118 Ų118133.5 Ų133.583%0.82579%0.794SS**  cis-163.8151.142.443.80000112.3
64A30.8Very low32.4Very low83 Ų83131.3 Ų131.369%0.68679%0.791SS**  trans-92.4155.4169.400000110.9
65F28Very low32.2Very low212 Ų212131.4 Ų131.493%0.9379%0.792SS**  trans-150.9133.9142.2-108.3-79.5000111.2
66T35.7Very low32.2Very low129 Ų129130.7 Ų130.779%0.79179%0.793SS**  trans-85.3174.5-174.423.80000113.8
67P61.7Low32.2Very low116 Ų116126.6 Ų126.675%0.75379%0.786SS**  trans-101.3169.2-156.540.4-34.2000113.7
68Q30.1Very low32.2Very low203 Ų203127.3 Ų127.395%0.94979%0.785SS**  trans-160.5162159.8-113.7169.917.500113
69A29.4Very low32.3Very low81 Ų81127.5 Ų127.567%0.66978%0.782SS**  trans-112.7176.8-150.500000114.4
70T33.3Very low32.4Very low145 Ų145131.1 Ų131.189%0.8979%0.786SS**  trans72.3131.6148.8470000121.4
71G29.2Very low32.2Very low67 Ų67129.9 Ų129.969%0.69179%0.79SS**  trans144.2101.8140.300000118.3
72Y29Very low31.9Very low235 Ų235125.7 Ų125.792%0.92279%0.793SS**  trans11151.6139.9-63.5-84.7000120.3
73A29.5Very low31.9Very low86 Ų86128.1 Ų128.171%0.71180%0.796SS**  cis-173.1162.74.900000109.9
74A30.2Very low31.7Very low101 Ų101128.9 Ų128.984%0.83580%0.795SS**  trans40.2143.7140.200000121.1
75A30.4Very low31.5Very low85 Ų85127.8 Ų127.870%0.70279%0.792SS**  cis-175.4177.76.900000109.7
76L31.6Very low31.8Very low173 Ų173123.2 Ų123.291%0.90679%0.786SS**  trans90.7122.9162.7-49.6177.6000116.1
77G27.5Very low31.4Very low60 Ų60127.3 Ų127.362%0.61979%0.788SS**  cis174.1161.7-1.700000111.6
78H30.8Very low30.1Very low183 Ų183125.6 Ų125.685%0.84779%0.792SS**  trans66.7139.5156.8-60.686.8000118.8
79S29.2Very low30Very low81 Ų81119.3 Ų119.357%0.56678%0.782SS**  cis-178.6168.7-12.941.30000107.4
80H33.3Very low29.9Very low189 Ų189118.4 Ų118.488%0.87578%0.781SS**  trans88.4119.3176.3-56.2-79.9000114.7
81G27.9Very low29.9Very low82 Ų82116.7 Ų116.785%0.84578%0.781SS**  cis153.3125.68.200000106.9
82G29.8Very low29.8Very low84 Ų84122.7 Ų122.787%0.86679%0.788SS**  trans164.973.2-177.300000113.7
83Q30.7Very low30.1Very low178 Ų178119.7 Ų119.783%0.83279%0.788SS**  trans-48.7125.9174.8-96.8178.4-37.400114.9
84V27.3Very low30.2Very low134 Ų134120.2 Ų120.281%0.81279%0.787SS**  67.1133.4108.9-60.40000118.6
85G27.2Very low30.5Very low60 Ų60122.8 Ų122.862%0.61979%0.792SS**  trans165.765.8164.900000113.7
86S33.7Very low30.7Very low116 Ų116129 Ų12981%0.81180%0.798SS**  trans-68.2132.3170.2-172.70000110.9
87Y28.1Very low30.8Very low214 Ų214128.1 Ų128.184%0.83979%0.794SS**  trans-138.5117157.4-57.7-80000108.8
88G34.2Very low31Very low80 Ų80135 Ų13583%0.82581%0.807SS**  trans-69150.9161.200000110.5
89G27.5Very low31.3Very low71 Ų71133.8 Ų133.873%0.73281%0.806SS**  trans-174109174.900000113.5
90G27.7Very low31.6Very low63 Ų63140 Ų14065%0.64982%0.823SS**  trans81.5119.7131.400000118.5F92G90-F92 WeakPolarHBondContact O-CD2 3.46Å; G90-F92 PolarHBondContact O-N 2.79Å
91A33Very low31.4Very low108 Ų108142.3 Ų142.389%0.89382%0.824SS**  trans-56.7127.5159.500000110.8
92F28.3Very low31.5Very low193 Ų193146.1 Ų146.185%0.84683%0.825SS**  trans-109.1100.4169.7-75.2-79.1000110.3G90 S94G90-F92 WeakPolarHBondContact O-CD2 3.46Å; G90-F92 PolarHBondContact O-N 2.79Å; F92-S94 PolarHBondContact O-N 2.79Å
93N35.1Very low31.6Very low172 Ų172154.3 Ų154.392%0.9283%0.83SS**  trans-75.4102.2153.9-103.7-24.5000107.6
94S29.9Very low31.4Very low97 Ų97148.9 Ų148.968%0.67882%0.822SS**  trans-164112.5156-157.10000112.8F92 R96F92-S94 PolarHBondContact O-N 2.79Å; S94-R96 PolarHBondContact O-N 3.3Å
95T37.4Very low31.5Very low156 Ų156150.1 Ų150.196%0.95783%0.829SS**  trans-74.661.3175.9-38.10000111.6
96R35Very low31.5Very low216 Ų216150.5 Ų150.582%0.81583%0.833SS**  trans-149.738.8-173.8-143.2-173.1150.8125.20.5117.1S94S94-R96 PolarHBondContact O-N 3.3Å
97D33.1Very low31.2Very low153 Ų153154.2 Ų154.282%0.81884%0.838SS**  trans-157.646.6173.1-108.1-37.2000117.1
98F32.1Very low31.2Very low205 Ų205149.8 Ų149.890%0.89984%0.838SS**  trans-129.618.1180-84.4-73.7000117.3
99L36.8Very low31.6Very low158 Ų158151.6 Ų151.683%0.82784%0.836SS**SBendtrans-118.111.4179-73.8-179.1000117.3
100F35.6Very low31.7Very low211 Ų211152.7 Ų152.793%0.92584%0.837SS**SBendtrans-145.177.1170.4-73.7-77.5000113
101R28.9Very low32.8Very low237 Ų237155.2 Ų155.289%0.89484%0.843SS**  trans-163.998.8154.1-120.2165.5174.6-176.5-3.3110.2
102N29.7Very low32.5Very low163 Ų163156 Ų15687%0.87284%0.842SS**  trans168.692.8133.9-83.5-10000111
103R31.8Very low32.5Very low255 Ų255150.5 Ų150.596%0.96283%0.831SS**  trans-151.2104.8133.6-150.1172.6-173.3137.3-0.5108
104G26.5Very low32.4Very low65 Ų65150.3 Ų150.367%0.6783%0.825SS**  trans-106.1156.5168.100000110.5
105V30.5Very low32.4Very low159 Ų159154 Ų15496%0.96483%0.831SS**  trans86.8120.4155.1-1620000117.6
106G27.5Very low31.9Very low68 Ų68149.8 Ų149.870%0.70182%0.819SS**  trans152.471.1159.200000116.3
107E25.9Very low31.7Very low195 Ų195146 Ų14691%0.91181%0.813SS**  trans51.9126141.3-59.4176.4145.200122.5
108S28.1Very low31.6Very low120 Ų120148.1 Ų148.184%0.83982%0.816SS**  trans-95178.2157.4-57.40000109.2
109P42.4Very low31.3Very low119 Ų119142.5 Ų142.577%0.77381%0.807SS**  cis-140.5169.112.340.4-18.3000115
110A30.6Very low31.1Very low93 Ų93139.7 Ų139.777%0.76981%0.807SS**  133162.295.700000111
111P51.1Low30.8Very low117 Ų117134.7 Ų134.776%0.7680%0.798SS**  trans-124.5163-142.241.4-28.5000115.7
112S26.3Very low30.8Very low125 Ų125130.2 Ų130.287%0.87480%0.798SS**  trans178.9153.1155.800000106.8
113A29Very low30.7Very low76 Ų76126.1 Ų126.163%0.62879%0.793SS**  cis-179.4149.77.200000106.7
114Q32.1Very low30.5Very low169 Ų169119.6 Ų119.679%0.7979%0.787SS**  trans83.8117.6137.1-68176.41.500123.8
115H29.5Very low30.7Very low173 Ų173123.9 Ų123.980%0.80179%0.794SS**  77.7135.7122.9-76.3-71000125.3
116G28.4Very low30.8Very low69 Ų69125.1 Ų125.171%0.71179%0.789SS**  trans12494.6149.100000112.4
117I30.6Very low30.9Very low135 Ų135125 Ų12569%0.69279%0.787SS**  58.7129.665-39-167.8000116.1
118F29.8Very low31.8Very low198 Ų198121.7 Ų121.787%0.86878%0.782SS**  trans94.8141164.6-68.2-83.4000116.2
119A27.3Very low32.8Very low87 Ų87122 Ų12272%0.71978%0.782SS**  cis-177.4161.8-20.400000106.3
120A32.3Very low32.2Very low100 Ų100120.1 Ų120.183%0.82678%0.784SS**  trans-87154.7-178.900000113.8
121S28.6Very low32.4Very low105 Ų105123.5 Ų123.573%0.73479%0.787SS**  trans-157.8108.1153.749.50000107.6
122T29.3Very low32.1Very low144 Ų144122.7 Ų122.788%0.88378%0.782SS**  66.4123.681.661.90000116.3
123G26.3Very low32.2Very low76 Ų76124.1 Ų124.178%0.78478%0.78SS**  trans142.371.1162.600000113.2
124S29.6Very low32.4Very low118 Ų118127.8 Ų127.883%0.82579%0.789SS**  57.7122.686.4-99.90000117.1
125L30Very low33.6Very low156 Ų156125.1 Ų125.182%0.81779%0.786SS**  -172.1117127.8-100148.7000112.3
126H31.2Very low33.5Very low185 Ų185120.5 Ų120.586%0.85679%0.785SS**  trans30138140.7-73.9-105000120
127G30.3Very low33.8Very low65 Ų65125.1 Ų125.167%0.6779%0.788SS**  cis168.5173.714.200000109.3
128P45.8Very low33.8Very low125 Ų125127.2 Ų127.281%0.81280%0.8SS**  trans-105.5-153.6-157.644.9-36.5000112
129P48.7Very low33.8Very low128 Ų128125.1 Ų125.183%0.83180%0.797SS**  cis-136.8-176.2-10.737.5-16.8000115
130G29.2Very low34.2Very low78 Ų78130.4 Ų130.480%0.80480%0.804SS**  trans146.2104.415200000118.2
131I34.2Very low34.7Very low164 Ų164131.8 Ų131.884%0.84180%0.804SS**  trans-100.1148.1157.3-58.7-177.6000104.2
132P46.3Very low34.7Very low101 Ų101130 Ų13066%0.65680%0.802SS**  -160.7178.957.146.8-23.6000120.6
133D28.8Very low34.7Very low155 Ų155130.7 Ų130.783%0.82980%0.799SS**  trans69.7139.8147.3-58.1-35.8000124.9
134N31.7Very low34.9Very low152 Ų152134.9 Ų134.981%0.81380%0.798SS**  trans-82-169.3176.9-152.416.1000111
135P58.1Low35Very low114 Ų114136.1 Ų136.174%0.7480%0.796SS**  cis-126.4179.7-33.821.62.6000113
136G27.7Very low35.1Very low75 Ų75137.7 Ų137.777%0.77380%0.799SS**  trans-176.9115.816700000118.3
137H34.8Very low35.1Very low167 Ų167131.8 Ų131.877%0.77379%0.788SS**  trans-17.5147.7157.1-92-110.6000118.7
138L31.1Very low35.1Very low179 Ų179135.4 Ų135.494%0.93780%0.797SS**  -156.9143129.7-81.7-166.5000113.8
139L29.8Very low34.2Very low154 Ų154134.2 Ų134.281%0.80679%0.792SS**  trans-91.9165.5-176.5-74.4151.4000112.7
140F34.2Very low33.4Very low198 Ų198136.6 Ų136.687%0.86879%0.791SS**  trans-59.3168.8165.9-75.4-90.9000113.7
141P43.9Very low33.3Very low129 Ų129139 Ų13984%0.83879%0.791SS**  -146.7158.585.931.6-10.1000116.5
142G28.1Very low33.1Very low66 Ų66136.6 Ų136.668%0.6879%0.788SS**  trans-95.2178.217200000114.4
143L29.5Very low33.2Very low159 Ų159137.7 Ų137.783%0.83280%0.796SS**  trans-151.2139.9170.9-90.3-176.4000113.4
144H30Very low33.4Very low164 Ų164136.4 Ų136.476%0.75980%0.799SS**  trans87.5114.6148-80.491.5000123
145D31.1Very low33.3Very low145 Ų145132.1 Ų132.178%0.77579%0.79SS**  trans-98.8142162.8-171.8-73.8000109
146Q33.9Very low32.1Very low188 Ų188135.5 Ų135.588%0.87980%0.796SS**  trans-156.2129.7145.1-70.3-1609.300109.7
147G30.1Very low32.3Very low62 Ų62138.1 Ų138.164%0.63980%0.796SS**  trans-91.8178.9172.600000114.6
148V29.9Very low32.2Very low141 Ų141135.7 Ų135.786%0.85579%0.793SS**  trans-177.1141131.1170.40000109.7
149S28.4Very low32.3Very low99 Ų99134.2 Ų134.269%0.69279%0.786SS**  trans-68.9158.1-174.1-33.10000117.1
150H30.6Very low32.4Very low178 Ų178131.7 Ų131.782%0.82478%0.781SS**  trans-156.5112.2143.2-81-66.6000113.6
151T27.1Very low32.3Very low129 Ų129131.6 Ų131.679%0.79178%0.784SS**  trans51.4123.8133.160.60000123.8
152S31.1Very low31.8Very low113 Ų113132.2 Ų132.279%0.7978%0.777SS**  trans-76.6171.5158.7-48.90000112.9
153P47.4Very low32.1Very low125 Ų125137.5 Ų137.581%0.81278%0.784SS**  -149.7166.286.835.6-14.7000118.5
154S33.2Very low32.2Very low128 Ų128136.9 Ų136.990%0.89578%0.78SS**  trans-26.7165.9166.9-42.90000120
155G30.2Very low32.2Very low61 Ų61132.8 Ų132.863%0.62978%0.783SS**  cis161.4159.35.700000111
156H32.2Very low32.3Very low186 Ų186133.4 Ų133.486%0.86179%0.785SS**  trans176.6108158-104.6-80.2000107.4
157V32.6Very low32.2Very low129 Ų129135.4 Ų135.478%0.78279%0.785SS**  70.5118.769-170.10000110.1
158V32.5Very low32.3Very low116 Ų116135.5 Ų135.570%0.70379%0.786SS**  -169.4145.850.9176.30000112.8
159N32.8Very low32.4Very low148 Ų148135 Ų13579%0.79178%0.778SS**  trans14.8158.6144.2-62.7-20.8000123
160S32.6Very low32.7Very low102 Ų102136 Ų13671%0.71378%0.775SS**  cis-173.3144.320.6-119.60000109.4
161Q30.5Very low32.9Very low196 Ų196137.2 Ų137.292%0.91678%0.778SS**  178.3147.5117.4-115.5170.8-2.300113.2
162M35.1Very low33Very low141 Ų141134.4 Ų134.470%0.69578%0.775SS**  trans-122.6145.5-164.845179.2-96.400109.3
163H33.4Very low33.1Very low177 Ų177140.7 Ų140.782%0.81978%0.781SS**  trans-163.1145.6135.8-114.272.5000113.7
164L32.5Very low33Very low146 Ų146139.9 Ų139.976%0.76478%0.776SS**  trans-89161-163.5-72.9140.9000114.2
165G28.9Very low33Very low79 Ų79141.2 Ų141.281%0.81477%0.773SS**  trans-179.984.416100000114
166L33.8Very low34Very low158 Ų158143.1 Ų143.183%0.82777%0.774SS**  trans-70162163.9-63.1156.9000108.9
167R32.4Very low33.8Very low229 Ų229145.4 Ų145.486%0.86478%0.777SS**  cis179.7156.936.8-153.5177.2-175.4-166.72110.1
168G30.8Very low33.7Very low65 Ų65150.1 Ų150.167%0.6778%0.781SS**  trans132.286.6155.200000114.4
169D32.6Very low34.4Very low129 Ų129149.5 Ų149.569%0.6978%0.779SS**  58.9127.779.3-71.1-26.5000112.6
170I34.1Very low34.2Very low120 Ų120149.8 Ų149.862%0.61579%0.786SS**  cis177.9159.935.1-112.6165.4000111
171F35.4Very low33.9Very low205 Ų205149.5 Ų149.590%0.89979%0.789SS**  trans71.1129.5169.9-59.3-55.6000119.7
172G28.4Very low34Very low70 Ų70145.5 Ų145.572%0.72278%0.783SS**  cis149.8102.8-0.500000112.6
173R34.2Very low34.4Very low244 Ų244144.2 Ų144.292%0.92179%0.786SS**  trans43.9170.7147.7-80.9-167.5175.2-141.11.1122.2
174P45.4Very low34.2Very low109 Ų109146.5 Ų146.571%0.70879%0.787SS**  -135178.4-56.439.5-20.1000114.3
175D33.6Very low34.1Very low155 Ų155144.8 Ų144.883%0.82978%0.783SS**  trans-46.4179.4169.8-83.7-55.7000117.4
176P50.7Low34.1Very low101 Ų101148.2 Ų148.266%0.65678%0.782SS**  cis-140.7-179.41.227.9-2.3000115.9
177Y26.9Very low34.7Very low235 Ų235145.6 Ų145.692%0.92278%0.775SS**  trans159.8147.8137-101.4-91000113.8
178R31.3Very low34.5Very low228 Ų228146.4 Ų146.486%0.8678%0.78SS**  trans-119.5-172.4-176.8-144.7-157.7178.6177.51.7109.3
179P46.9Very low34.3Very low103 Ų103146.8 Ų146.867%0.66978%0.783SS**  -111.1179.1-73.232.7-14.5000114.5
180V28.3Very low34.2Very low154 Ų154145.2 Ų145.293%0.93379%0.788SS**  trans-135.8150.9164.2-177.10000112.2
181A27.9Very low34.1Very low95 Ų95148.6 Ų148.679%0.78580%0.801SS**  trans-92.3176-160.200000117.8
182S32.3Very low33.9Very low113 Ų113147 Ų14779%0.7980%0.801SS**  trans-56.9-178.4-179.9-44.50000117.7
183P42.3Very low34Very low114 Ų114151.4 Ų151.474%0.7480%0.803SS**  -152.4154.5107.334-14.2000119.8
184R29.6Very low33.6Very low225 Ų225146 Ų14685%0.84979%0.792SS**  trans77.6111139.2-79.1179.5165.4138.6-2.1122.2
185T30.8Very low32.6Very low110 Ų110149.3 Ų149.368%0.67579%0.792SS**  72.8122.68561.80000113.2
186D29.3Very low32.4Very low151 Ų151149.8 Ų149.881%0.80779%0.794SS**  -174177.865.3-106.1-20.3000113.4
187P45.6Very low31.3Very low103 Ų103152.5 Ų152.567%0.66980%0.798SS**  trans-119.3166.9-142.943.3-33.1000115.7
188Y28Very low31.4Very low246 Ų246146.7 Ų146.797%0.96579%0.789SS**  trans-171.2132.4152.4-106.7-78.6000112.2
189G27.6Very low31.4Very low72 Ų72142.9 Ų142.974%0.74278%0.784SS**  trans105.885.3135.200000121.7
190A28.8Very low30.4Very low97 Ų97144.1 Ų144.180%0.80279%0.785SS**  47.3104.9128.500000122.4
191Q33.3Very low30.5Very low190 Ų190145.2 Ų145.289%0.88878%0.782SS**  2.7119.7122.1-142.6164.521.200118.3
192L30.2Very low30.6Very low171 Ų171146.3 Ų146.390%0.89578%0.775SS**  trans-145149.8152.3-92.3177.8000112
193H31.2Very low30.5Very low164 Ų164150.1 Ų150.176%0.75978%0.782SS**  trans-76166.5-157.1-90.8-110000118.3
194N26Very low29.7Very low129 Ų129147.1 Ų147.169%0.6977%0.773SS**  trans100108.6130.5-105.60.1000121.1
195Y25Very low29.7Very low180 Ų180145.2 Ų145.271%0.70678%0.775SS**  37.7104.4123.9-80.7-94.7000118.5H197Y195-H197 AromaticContact CE1-CD2 3.96Å; Y195-H197 AromaticContact CE1-NE2 3.85Å
196N29.3Very low29.8Very low164 Ų164147.9 Ų147.988%0.87779%0.786SS**  -146.4110.6128.7-101.4-24.1000108.4P198N196-P198 WeakPolarHBondContact O-CD 3.42Å
197H26.8Very low29.9Very low159 Ų159145.9 Ų145.974%0.73678%0.779SS**  trans-70.6123.9173.3-87.3-74.7000110.8Y195Y195-H197 AromaticContact CE1-CD2 3.96Å; Y195-H197 AromaticContact CE1-NE2 3.85Å
198P28.9Very low29.4Very low112 Ų112146.8 Ų146.873%0.72778%0.784SS**  trans-90.1134.2144.530.8-26.3000109.2N196 N200N196-P198 WeakPolarHBondContact O-CD 3.42Å; P198-N200 PolarHBondContact O-N 3.09Å
199I31.3Very low29.7Very low148 Ų148141.5 Ų141.576%0.75978%0.778SS**  trans-44.7115.9-178.9-65.3160.1000111.2M201I199-M201 HydrophobicContact CG2-CE 4.21Å; I199-M201 HydrophobicContact CG2-CG 4.3Å; I199-M201 PolarHBondContact O-N 3.44Å
200N26.7Very low30.2Very low129 Ų129146 Ų14669%0.6978%0.78SS**  trans-72.6110.2172.2-178.76.8000109.3P198 N202P198-N200 PolarHBondContact O-N 3.09Å; N200-N202 WeakPolarHBondContact OD1-CB 3.45Å; N200-N202 PolarHBondContact OD1-N 3.29Å
201M30.1Very low30.8Very low177 Ų177149.8 Ų149.887%0.87278%0.78SS**  trans-107.561.4163.1-68.6-86-176.900108.6I199I199-M201 HydrophobicContact CG2-CE 4.21Å; I199-M201 HydrophobicContact CG2-CG 4.3Å; I199-M201 PolarHBondContact O-N 3.44Å
202N29.7Very low30.8Very low118 Ų118142.9 Ų142.963%0.63176%0.76SS**  trans-89.8103.4164.8-174.618.6000108.5N200 G204N200-N202 WeakPolarHBondContact OD1-CB 3.45Å; N200-N202 PolarHBondContact OD1-N 3.29Å; N202-G204 PolarHBondContact OD1-N 3.37Å
203M30.1Very low31.4Very low193 Ų193139.9 Ų139.995%0.95175%0.751SS**  trans-111.9104.4152-78.1-77-176.900105.8
204G26.2Very low31.8Very low52 Ų52133.9 Ų133.954%0.53673%0.733SS.*  trans-69.2144.8-176.500000112.8N202N202-G204 PolarHBondContact OD1-N 3.37Å
205M28.2Very low33Very low184 Ų184129.4 Ų129.491%0.90671%0.714SS**  trans-144.6126.6145-81.5-59.6175.300108.4V207M205-V207 PolarHBondContact O-N 3Å
206N33.6Very low34Very low166 Ų166124.8 Ų124.889%0.88870%0.698SS**  trans-77.2101.4-176.2-172.80.2000110.3
207V31.4Very low35.1Very low110 Ų110122.1 Ų122.167%0.66768%0.679SS**SBendtrans-151.1139.5166.7-173.20000108.1M205 T209M205-V207 PolarHBondContact O-N 3Å; V207-T209 PolarHBondContact O-N 3.43Å
208P34.5Very low36.5Very low121 Ų121124 Ų12479%0.78668%0.679SS**  trans-53.4111.9-168.9-27.835.1000114.4H210P208-H210 PolarHBondContact O-N 3.33Å
209T34.7Very low37.7Very low136 Ų136122.1 Ų122.183%0.83466%0.658SS**  trans-81.390.2-176.131.80000111.7V207V207-T209 PolarHBondContact O-N 3.43Å
210H38.5Very low38.8Very low167 Ų167115.8 Ų115.877%0.77363%0.626SS**  trans-110.842.1162.4-86.7-56.7000113.2P208P208-H210 PolarHBondContact O-N 3.33Å
211H41.4Very low40.3Very low175 Ų175118.6 Ų118.681%0.8163%0.627SS**  trans-141.972.2170.1-68.8-64.2000112.3
212G32.8Very low41.6Very low46 Ų46115.6 Ų115.647%0.47461%0.61SS.*SBendtrans-76.2164.5155.900000111.3G214 A215G212-G214 PolarHBondContact O-N 2.86Å; G212-A215 PolarHBondContact O-N 3.12Å
213P43.1Very low42.8Very low107 Ų107115 Ų11570%0.69561%0.613SS**Hα-helixtrans-50.9-23174.116.1-28.5000113.6A215 F216 F217P213-A215 VanDerWaalsContact C-N 3.33Å; P213-A215 PolarHBondContact O-N 3.42Å; P213-F216 PolarHBondContact O-N 2.88Å; P213-F217 HydrophobicContact CB-CE2 4.49Å; P213-F217 WeakPolarHBondContact O-CD2 3.45Å; P213-F217 PolarHBondContact O-N 2.99Å
214G40.4Very low44.1Very low38 Ų38107.9 Ų107.939%0.39258%0.578SS.*Hα-helixtrans-62.3-27.4173.200000115.6G212 F217 R218G212-G214 PolarHBondContact O-N 2.86Å; G214-F217 PolarHBondContact O-N 3.41Å; G214-R218 WeakPolarHBondContact O-CB 3.28Å; G214-R218 VanDerWaalsContact O-CG 3.24Å; G214-R218 WeakPolarHBondContact O-CG 3.38Å; G214-R218 PolarHBondContact O-N 2.85Å
215A49.6Very low45.2Very low35 Ų35115.7 Ų115.729%0.28960%0.597SS.*Hα-helixtrans-70.5-35.617800000112.1G212 P213 R218 Y219G212-A215 PolarHBondContact O-N 3.12Å; P213-A215 VanDerWaalsContact C-N 3.33Å; P213-A215 PolarHBondContact O-N 3.42Å; A215-R218 PolarHBondContact O-N 3.27Å; A215-Y219 PolarHBondContact O-N 3.14Å
216F47.2Very low46.4Very low84 Ų84113.2 Ų113.237%0.36858%0.584SS.*Hα-helixtrans-65.4-45.2173.8174.7-98.6000111.5P213 Y219 M220P213-F216 PolarHBondContact O-N 2.88Å; F216-Y219 PolarHBondContact O-N 3.05Å; F216-M220 HydrophobicContact CD1-CG 4.17Å; F216-M220 HydrophobicContact CD2-CG 4.45Å; F216-M220 HydrophobicContact CE1-CE 4Å; F216-M220 HydrophobicContact CE1-CG 3.83Å; F216-M220 HydrophobicContact CE1-SD 4.15Å; F216-M220 HydrophobicContact CE2-CG 4.12Å; F216-M220 HydrophobicContact CE2-SD 4.24Å; F216-M220 HydrophobicContact CG-CG 4.48Å; F216-M220 HydrophobicContact CZ-CE 3.96Å; F216-M220 HydrophobicContact CZ-CG 3.8Å; F216-M220 HydrophobicContact CZ-SD 3.7Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 WeakPolarHBondContact O-CG 3.47Å; F216-M220 PolarHBondContact O-N 3.42Å
217F52.3Low47.5Very low107 Ų107113.1 Ų113.147%0.46958%0.578SS.*Hα-helixtrans-67.8-34.7176.4-69.2-69000112.9P213 G214 M220 R221P213-F217 HydrophobicContact CB-CE2 4.49Å; P213-F217 WeakPolarHBondContact O-CD2 3.45Å; P213-F217 PolarHBondContact O-N 2.99Å; G214-F217 PolarHBondContact O-N 3.41Å; F217-M220 PolarHBondContact O-N 3.25Å; F217-R221 WeakPolarHBondContact O-CG 3.43Å; F217-R221 PolarHBondContact O-N 3.09Å; F217-R221 VanDerWaalsContact O-N 3.14Å
218R55Low48.9Very low198 Ų198108.3 Ų108.375%0.74755%0.548SS*.Hα-helixtrans-62.2-44.1173-78.1175-176.3171.21.3111.7G214 A215 R221 Q222G214-R218 WeakPolarHBondContact O-CB 3.28Å; G214-R218 VanDerWaalsContact O-CG 3.24Å; G214-R218 WeakPolarHBondContact O-CG 3.38Å; G214-R218 PolarHBondContact O-N 2.85Å; A215-R218 PolarHBondContact O-N 3.27Å; R218-R221 PolarHBondContact O-N 2.9Å; R218-Q222 PolarHBondContact O-N 2.8Å
219Y55.3Low50.1Low74 Ų74104.6 Ų104.629%0.2953%0.526SS..Hα-helixtrans-65.8-44.1174.9174.1-84.9000112.1A215 F216 R221 Q222 P304A215-Y219 PolarHBondContact O-N 3.14Å; F216-Y219 PolarHBondContact O-N 3.05Å; Y219-R221 PolarHBondContact O-N 2.82Å; Y219-R221 VanDerWaalsContact O-N 3.16Å; Y219-Q222 WeakPolarHBondContact O-CB 3.48Å; Y219-Q222 PolarHBondContact O-N 3.07Å; Y219-P304 HydrophobicContact CD1-CB 3.85Å; Y219-P304 HydrophobicContact CE1-CB 3.17Å; Y219-P304 HydrophobicContact CE1-CG 4.5Å; Y219-P304 HydrophobicContact CE2-CB 4.29Å; Y219-P304 VanDerWaalsContact CZ-CA 3.46Å; Y219-P304 VanDerWaalsContact CZ-CB 3.42Å; Y219-P304 WeakPolarHBondContact OH-CA 3.24Å
220M54Low51.5Low15 Ų1598.1 Ų98.17%0.07449%0.486CS..Hα-helixtrans-63.3-21.2179.5-71.2-97-72.300113.6F216 F217 M252 H253F216-M220 HydrophobicContact CD1-CG 4.17Å; F216-M220 HydrophobicContact CD2-CG 4.45Å; F216-M220 HydrophobicContact CE1-CE 4Å; F216-M220 HydrophobicContact CE1-CG 3.83Å; F216-M220 HydrophobicContact CE1-SD 4.15Å; F216-M220 HydrophobicContact CE2-CG 4.12Å; F216-M220 HydrophobicContact CE2-SD 4.24Å; F216-M220 HydrophobicContact CG-CG 4.48Å; F216-M220 HydrophobicContact CZ-CE 3.96Å; F216-M220 HydrophobicContact CZ-CG 3.8Å; F216-M220 HydrophobicContact CZ-SD 3.7Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 WeakPolarHBondContact O-CG 3.47Å; F216-M220 PolarHBondContact O-N 3.42Å; F217-M220 PolarHBondContact O-N 3.25Å; M220-M252 HydrophobicContact SD-CG 3.95Å; M220-H253 HydrophobicContact CB-CB 4.16Å; M220-H253 HydrophobicContact CE-CB 4.4Å; M220-H253 WeakPolarHBondContact O-CB 3.3Å; M220-H253 PolarHBondContact O-N 2.95Å
221R57.8Low52.8Low188 Ų18893.7 Ų93.771%0.70946%0.464SS*.THydrogen-bonded Turntrans-94-1.2174.2-72.4-170.6-166.9-165.63.6114F217 R218 Y219F217-R221 WeakPolarHBondContact O-CG 3.43Å; F217-R221 PolarHBondContact O-N 3.09Å; F217-R221 VanDerWaalsContact O-N 3.14Å; R218-R221 PolarHBondContact O-N 2.9Å; Y219-R221 PolarHBondContact O-N 2.82Å; Y219-R221 VanDerWaalsContact O-N 3.16Å
222Q57.8Low53.9Low113 Ų11385.9 Ų85.953%0.52843%0.428SS..SBendtrans-71.6134.4175.2-74.5179.3-13.300109.5R218 Y219 I224R218-Q222 PolarHBondContact O-N 2.8Å; Y219-Q222 WeakPolarHBondContact O-CB 3.48Å; Y219-Q222 PolarHBondContact O-N 3.07Å; Q222-I224 PolarHBondContact O-N 2.93Å
223P54.3Low55.2Low105 Ų10585.3 Ų85.368%0.68241%0.413SS*.EExtended strand (participates in β ladder)trans-65128.5175.326.9-32.6000109S250P223-S250 WeakPolarHBondContact CA-O 3.47Å
224I58.8Low56Low44 Ų4483.8 Ų83.823%0.22640%0.399CS..EExtended strand (participates in β ladder)trans-85.6133.6-180-61.5174.5000106.7Q222 Q226 L228 S250 M252 E302Q222-I224 PolarHBondContact O-N 2.93Å; I224-Q226 HydrophobicContact CG2-CB 4.26Å; I224-Q226 PolarHBondContact O-N 3.2Å; I224-L228 HydrophobicContact CD1-CD1 3.56Å; I224-L228 HydrophobicContact CG2-CG 4.5Å; I224-S250 PolarHBondContact N-O 3.2Å; I224-M252 HydrophobicContact CD1-CB 3.59Å; I224-E302 WeakPolarHBondContact CD1-OE1 3.48Å
225K48.8Very low56.7Low216 Ų21688.7 Ų88.794%0.93941%0.412SS*.EExtended strand (participates in β ladder)trans-69.96.1-178.7-64-175.9178.2-176.60113.7
226Q53.8Low56.8Low132 Ų13293.5 Ų93.562%0.61743%0.433SS*.EExtended strand (participates in β ladder)trans-129.4128.3-179-66.5-177.6-48.300107.1I224 L228I224-Q226 HydrophobicContact CG2-CB 4.26Å; I224-Q226 PolarHBondContact O-N 3.2Å; Q226-L228 PolarHBondContact O-N 3.1Å; Q226-L228 VanDerWaalsContact O-N 3.12Å
227E55.8Low56.6Low164 Ų16495.8 Ų95.877%0.76645%0.445SS*.EExtended strand (participates in β ladder)trans-64.8112.3171.8-67.6-174.9170.200108.3S229 T248E227-S229 PolarHBondContact O-N 3.39Å; E227-T248 HydrophobicContact CB-CG2 4.39Å
228L60.2Low56.2Low9 Ų999.9 Ų99.95%0.04747%0.468CS..EExtended strand (participates in β ladder)trans-84.6103.1177.4-63.7176.2000108.2I224 Q226 T248 F249 M252 M255 T300 E302I224-L228 HydrophobicContact CD1-CD1 3.56Å; I224-L228 HydrophobicContact CG2-CG 4.5Å; Q226-L228 PolarHBondContact O-N 3.1Å; Q226-L228 VanDerWaalsContact O-N 3.12Å; L228-T248 CarbonylContact O-C 2.86Å; L228-T248 VanDerWaalsContact O-CA 3.3Å; L228-T248 WeakPolarHBondContact O-CA 3.46Å; L228-F249 PolarHBondContact N-O 3.4Å; L228-F249 PolarHBondContact O-N 3.2Å; L228-M252 HydrophobicContact CD1-CE 4.04Å; L228-M255 HydrophobicContact CB-SD 3.68Å; L228-M255 HydrophobicContact CD1-CE 4.37Å; L228-M255 HydrophobicContact CD1-SD 4.33Å; L228-T300 HydrophobicContact CD2-CG2 3.96Å; L228-E302 WeakPolarHBondContact CD1-OE1 3.42Å
229S59.7Low55.6Low44 Ų4497.6 Ų97.631%0.30847%0.471SS..EExtended strand (participates in β ladder)trans-82.8124.517260.80000109.8E227 R247 W276E227-S229 PolarHBondContact O-N 3.39Å; S229-R247 WeakPolarHBondContact CA-O 3.37Å; S229-W276 VanDerWaalsContact O-CH2 3.23Å; S229-W276 WeakPolarHBondContact O-CH2 3.37Å
230C65.7Low54.7Low0 Ų0104.1 Ų104.10%049%0.494CS..  trans-60.7145.1156-163.60000107.5W232 C245 D246 R247 F249C230-W232 VanDerWaalsContact SG-CB 3.57Å; C230-C245 CarbonylContact C-O 3.58Å; C230-C245 HydrophobicContact CB-CB 4.44Å; C230-C245 VanDerWaalsContact CB-O 3.28Å; C230-C245 WeakPolarHBondContact CB-O 3.43Å; C230-D246 WeakPolarHBondContact O-CA 3.23Å; C230-R247 PolarHBondContact N-O 3.44Å; C230-F249 HydrophobicContact CB-CE2 4.07Å
231K64.1Low54.2Low73 Ų73109 Ų10932%0.31753%0.527SS..  trans-135.647.5168.4-69.9-171.1168.8-160.70109C245 W276 E277K231-C245 PolarHBondContact N-O 3.15Å; K231-W276 HydrophobicContact CB-CZ2 4.37Å; K231-E277 HydrophobicContact CB-CG 4.18Å; K231-E277 IonicContact NZ-OE2 2.85Å
232W64.4Low53.8Low11 Ų11107.3 Ų107.34%0.04253%0.525CS..EExtended strand (participates in β ladder)trans-78.2133.7-175.3-168.7-80.3000110.3C230 T244 C245 V259 H263 V264 V273 F275C230-W232 VanDerWaalsContact SG-CB 3.57Å; W232-T244 WeakPolarHBondContact O-CA 3.22Å; W232-C245 HydrophobicContact CB-CB 4.03Å; W232-C245 PolarHBondContact O-N 3.25Å; W232-V259 HydrophobicContact CE3-CG1 3.94Å; W232-V259 HydrophobicContact CH2-CG1 4.08Å; W232-V259 HydrophobicContact CZ3-CG1 3.47Å; W232-V259 VanDerWaalsContact CZ3-CG1 3.47Å; W232-H263 WeakPolarHBondContact CB-NE2 3.44Å; W232-H263 AromaticContact CD1-CE1 3.73Å; W232-H263 AromaticContact CD1-CG 3.59Å; W232-H263 AromaticContact CD1-ND1 3.4Å; W232-H263 HydrophobicContact CD2-CB 3.71Å; W232-H263 AromaticContact CD2-CD2 3.69Å; W232-H263 AromaticContact CD2-CG 3.62Å; W232-H263 AromaticContact CE2-CG 3.72Å; W232-H263 HydrophobicContact CE3-CB 4.22Å; W232-H263 HydrophobicContact CG-CB 4.13Å; W232-H263 AromaticContact CG-CD2 3.51Å; W232-H263 AromaticContact CG-CE1 3.78Å; W232-H263 AromaticContact CG-CG 3.53Å; W232-H263 AromaticContact CG-ND1 3.69Å; W232-H263 AromaticContact CG-NE2 3.7Å; W232-H263 HydrophobicContact CH2-CB 4.01Å; W232-H263 HydrophobicContact CZ2-CB 3.54Å; W232-H263 HydrophobicContact CZ3-CB 4.37Å; W232-H263 AromaticContact NE1-CG 3.73Å; W232-H263 AromaticContact NE1-ND1 3.78Å; W232-V264 HydrophobicContact CH2-CG2 4.31Å; W232-V273 WeakPolarHBondContact CH2-O 3.45Å; W232-F275 WeakPolarHBondContact CA-O 3.15Å; W232-F275 HydrophobicContact CD2-CB 4.29Å; W232-F275 AromaticContact CE2-CD2 3.76Å; W232-F275 HydrophobicContact CH2-CD2 4.4Å; W232-F275 HydrophobicContact CZ2-CB 4.38Å; W232-F275 AromaticContact CZ2-CD2 3.54Å; W232-F275 HydrophobicContact CZ2-CD2 3.54Å; W232-F275 HydrophobicContact CZ2-CE2 4.38Å; W232-F275 HydrophobicContact CZ2-CG 4.43Å; W232-F275 AromaticContact NE1-CD2 3.86Å
233I61.1Low53.5Low34 Ų34109.9 Ų109.917%0.17454%0.535CS..EExtended strand (participates in β ladder)trans-100.7123.9172.9-55.5174.4000108.8K242 F275 E277I233-K242 HydrophobicContact CG2-CD 4.48Å; I233-K242 HydrophobicContact CG2-CG 4.37Å; I233-F275 PolarHBondContact N-O 3.29Å; I233-F275 VanDerWaalsContact N-O 3.07Å; I233-F275 WeakPolarHBondContact O-CB 3.22Å; I233-E277 HydrophobicContact CD1-CB 4.4Å; I233-E277 HydrophobicContact CD1-CG 3.95Å; I233-E277 HydrophobicContact CG1-CG 4.21Å
234D59.4Low53.7Low75 Ų75107.4 Ų107.440%0.40152%0.518SS..PPolyproline II helixtrans-81.9125.9169.5-165.8-21.7000110.2N236D234-N236 PolarHBondContact OD1-N 2.91Å
235E55.5Low54Low141 Ų141106.1 Ų106.166%0.65951%0.512SS*.  trans-86.4-14.6178.8-165172.717700112.5Q237 F275E235-Q237 VanDerWaalsContact C-N 3.33Å; E235-Q237 PolarHBondContact O-N 3.4Å; E235-Q237 VanDerWaalsContact O-N 3.09Å; E235-F275 WeakPolarHBondContact OE2-CE1 3.45Å
236N51.1Low54.9Low136 Ų136100.3 Ų100.373%0.72749%0.492SS*.  trans-91.750.9-173.2-85.3-21.6000114.5D234D234-N236 PolarHBondContact OD1-N 2.91Å
237Q44.4Very low55.7Low132 Ų132100.4 Ų100.462%0.61749%0.486SS*.  trans-144.580159.5-68.7-64.5-4300109.4E235 N239E235-Q237 VanDerWaalsContact C-N 3.33Å; E235-Q237 PolarHBondContact O-N 3.4Å; E235-Q237 VanDerWaalsContact O-N 3.09Å; Q237-N239 PolarHBondContact O-N 3.36Å
238M42.3Very low56.3Low193 Ų19396.6 Ų96.695%0.95147%0.474SS*.THydrogen-bonded Turntrans-65.417174.4-150.5144-179.800113.7
239N42.7Very low56.9Low151 Ų15197.3 Ų97.381%0.80748%0.477SS*.THydrogen-bonded Turntrans-155.221.7-179.2-106.3-13.1000117.6Q237Q237-N239 PolarHBondContact O-N 3.36Å
240R37.4Very low57.2Low210 Ų21098.4 Ų98.479%0.79248%0.484SS*.SBendtrans-173.3156.9166.4-110.3157.9169.4-166.6-4.7112.2
241P42.2Very low57.4Low118 Ų11899 Ų9977%0.76649%0.489SS*.  trans-64.7141-154.127.6-34000113.4K243P241-K243 PolarHBondContact O-N 2.98Å
242K49.4Very low57.5Low152 Ų15295.8 Ų95.866%0.66147%0.474SS*.  trans-26.3114.1171.9-59.3172.7-179.4-1780112.4I233 T244I233-K242 HydrophobicContact CG2-CD 4.48Å; I233-K242 HydrophobicContact CG2-CG 4.37Å; K242-T244 VanDerWaalsContact C-N 3.29Å; K242-T244 HydrophobicContact CB-CG2 4.46Å; K242-T244 PolarHBondContact O-N 2.85Å; K242-T244 VanDerWaalsContact O-N 3.09Å
243K53.3Low57.8Low167 Ų16798.4 Ų98.473%0.72649%0.487SS*.  trans-76.590.8159.3-72.5-177.3-177.6176.30106.6P241 C245P241-K243 PolarHBondContact O-N 2.98Å; K243-C245 PolarHBondContact O-N 3.06Å
244T56.8Low58.3Low53 Ų53100.6 Ų100.633%0.32550%0.496SS..EExtended strand (participates in β ladder)trans-66.2125.7164.1520000107W232 K242 D246W232-T244 WeakPolarHBondContact O-CA 3.22Å; K242-T244 VanDerWaalsContact C-N 3.29Å; K242-T244 HydrophobicContact CB-CG2 4.46Å; K242-T244 PolarHBondContact O-N 2.85Å; K242-T244 VanDerWaalsContact O-N 3.09Å; T244-D246 WeakPolarHBondContact CB-OD2 3.49Å; T244-D246 PolarHBondContact O-N 3.04Å; T244-D246 PolarHBondContact OG1-OD2 3.43Å
245C65.8Low59Low17 Ų1797 Ų9712%0.11548%0.477CS..EExtended strand (participates in β ladder)trans-84.597.6171.9-175.10000108.3C230 K231 W232 K243 R247 H258 H263C230-C245 CarbonylContact C-O 3.58Å; C230-C245 HydrophobicContact CB-CB 4.44Å; C230-C245 VanDerWaalsContact CB-O 3.28Å; C230-C245 WeakPolarHBondContact CB-O 3.43Å; K231-C245 PolarHBondContact N-O 3.15Å; W232-C245 HydrophobicContact CB-CB 4.03Å; W232-C245 PolarHBondContact O-N 3.25Å; K243-C245 PolarHBondContact O-N 3.06Å; C245-R247 VanDerWaalsContact C-N 3.34Å; C245-H258 PolarHBondContact SG-CE1 2.77Å; C245-H258 PolarHBondContact SG-NE2 3.49Å; C245-H263 WeakPolarHBondContact CB-NE2 3.4Å
246D67.4Low59.7Low94 Ų9491 Ų9150%0.50345%0.45SS..  trans-97.933.3179.1-62.9-53000112.4C230 T244C230-D246 WeakPolarHBondContact O-CA 3.23Å; T244-D246 WeakPolarHBondContact CB-OD2 3.49Å; T244-D246 PolarHBondContact O-N 3.04Å; T244-D246 PolarHBondContact OG1-OD2 3.43Å
247R70.1Confident60.6Low135 Ų13587 Ų8751%0.50943%0.431SS..  trans-73.3131178.3-73.2-172.4-177.3168.75.7110.6S229 C230 C245 F249S229-R247 WeakPolarHBondContact CA-O 3.37Å; C230-R247 PolarHBondContact N-O 3.44Å; C245-R247 VanDerWaalsContact C-N 3.34Å; R247-F249 HydrophobicContact CB-CE1 4.45Å; R247-F249 HydrophobicContact CB-CE2 3.67Å; R247-F249 HydrophobicContact CB-CZ 3.53Å; R247-F249 WeakPolarHBondContact O-CD2 3.11Å; R247-F249 VanDerWaalsContact O-CE2 3.24Å; R247-F249 WeakPolarHBondContact O-CE2 3.2Å
248T70.3Confident62.1Low83 Ų8381.3 Ų81.351%0.50940%0.404SS..EExtended strand (participates in β ladder)trans-92137.5172.753.20000110.8E227 L228E227-T248 HydrophobicContact CB-CG2 4.39Å; L228-T248 CarbonylContact O-C 2.86Å; L228-T248 VanDerWaalsContact O-CA 3.3Å; L228-T248 WeakPolarHBondContact O-CA 3.46Å
249F71.6Confident63.5Low25 Ų2572.3 Ų72.311%0.1136%0.36CS..EExtended strand (participates in β ladder)trans-119.9140.2179.2-61-79.3000111.3L228 C230 R247 E254 M255 H258L228-F249 PolarHBondContact N-O 3.4Å; L228-F249 PolarHBondContact O-N 3.2Å; C230-F249 HydrophobicContact CB-CE2 4.07Å; R247-F249 HydrophobicContact CB-CE1 4.45Å; R247-F249 HydrophobicContact CB-CE2 3.67Å; R247-F249 HydrophobicContact CB-CZ 3.53Å; R247-F249 WeakPolarHBondContact O-CD2 3.11Å; R247-F249 VanDerWaalsContact O-CE2 3.24Å; R247-F249 WeakPolarHBondContact O-CE2 3.2Å; F249-E254 HydrophobicContact CB-CB 4.28Å; F249-E254 HydrophobicContact CD1-CB 3.67Å; F249-E254 HydrophobicContact CG-CB 4.33Å; F249-M255 HydrophobicContact CB-CB 3.78Å; F249-M255 HydrophobicContact CD1-CB 4.49Å; F249-M255 HydrophobicContact CD2-CB 3.52Å; F249-M255 HydrophobicContact CD2-CG 3.44Å; F249-M255 VanDerWaalsContact CD2-CG 3.44Å; F249-M255 HydrophobicContact CD2-SD 4.27Å; F249-M255 HydrophobicContact CE2-CB 4.29Å; F249-M255 HydrophobicContact CE2-CG 3.93Å; F249-M255 HydrophobicContact CG-CB 3.64Å; F249-M255 HydrophobicContact CG-CG 4.11Å; F249-H258 HydrophobicContact CE1-CB 3.59Å; F249-H258 AromaticContact CE1-CG 3.83Å; F249-H258 HydrophobicContact CE2-CB 4.16Å; F249-H258 AromaticContact CE2-CD2 3.49Å; F249-H258 VanDerWaalsContact CE2-CD2 3.49Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.36Å; F249-H258 AromaticContact CE2-CG 3.87Å; F249-H258 HydrophobicContact CZ-CB 3.37Å; F249-H258 AromaticContact CZ-CD2 3.22Å; F249-H258 WeakPolarHBondContact CZ-CD2 2.91Å; F249-H258 AromaticContact CZ-CG 3.13Å; F249-H258 AromaticContact CZ-ND1 3.75Å; F249-H258 AromaticContact CZ-NE2 3.88Å
250S67.1Low64.8Low66 Ų6665.5 Ų65.546%0.46232%0.324SS..EExtended strand (participates in β ladder)trans-83.5-27.4178.174.50000111.9P223 I224 E254P223-S250 WeakPolarHBondContact CA-O 3.47Å; I224-S250 PolarHBondContact N-O 3.2Å; S250-E254 PolarHBondContact N-OE2 3.46Å; S250-E254 PolarHBondContact OG-OE2 3.34Å
251T69.1Low66.2Low14 Ų1461.4 Ų61.49%0.08632%0.316CS..EExtended strand (participates in β ladder)trans-127151177.669.70000112H253 E254 M255T251-H253 VanDerWaalsContact C-N 3.26Å; T251-H253 PolarHBondContact O-N 3.3Å; T251-E254 PolarHBondContact N-OE2 3.09Å; T251-E254 PolarHBondContact O-N 3.2Å; T251-E254 WeakPolarHBondContact OG1-CB 3.05Å; T251-E254 WeakPolarHBondContact OG1-CG 3.25Å; T251-E254 PolarHBondContact OG1-N 2.85Å; T251-E254 PolarHBondContact OG1-OE2 3.3Å; T251-M255 PolarHBondContact O-N 3.49Å
252M66.2Low67.4Low4 Ų461.6 Ų61.62%0.0231%0.306CS..Hα-helixtrans-64.5-33.7174.8168.780.7-48.400111.6M220 I224 L228 E254 M255 V256 E302M220-M252 HydrophobicContact SD-CG 3.95Å; I224-M252 HydrophobicContact CD1-CB 3.59Å; L228-M252 HydrophobicContact CD1-CE 4.04Å; M252-E254 VanDerWaalsContact C-N 3.28Å; M252-E254 PolarHBondContact O-N 3.42Å; M252-M255 HydrophobicContact CE-CB 3.85Å; M252-M255 HydrophobicContact CE-CE 3.18Å; M252-M255 HydrophobicContact CE-CG 4.45Å; M252-M255 HydrophobicContact CE-SD 4.39Å; M252-M255 PolarHBondContact O-N 2.78Å; M252-V256 HydrophobicContact CE-CG2 3.62Å; M252-V256 HydrophobicContact CG-CG2 4.15Å; M252-V256 WeakPolarHBondContact O-CB 3.49Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 2.96Å; M252-V256 HydrophobicContact SD-CG2 3.7Å; M252-E302 WeakPolarHBondContact CB-OE1 3.32Å; M252-E302 WeakPolarHBondContact CE-OE1 3.39Å; M252-E302 WeakPolarHBondContact CG-OE2 3.34Å; M252-E302 VanDerWaalsContact SD-CD 3.52Å; M252-E302 VanDerWaalsContact SD-OE2 3.36Å
253H70.1Confident68.1Low67 Ų6756.6 Ų56.631%0.3129%0.285SS..Hα-helixtrans-57.3-47175.7-171.956.6000110.8M220 T251 V256 T257M220-H253 HydrophobicContact CB-CB 4.16Å; M220-H253 HydrophobicContact CE-CB 4.4Å; M220-H253 WeakPolarHBondContact O-CB 3.3Å; M220-H253 PolarHBondContact O-N 2.95Å; T251-H253 VanDerWaalsContact C-N 3.26Å; T251-H253 PolarHBondContact O-N 3.3Å; H253-V256 PolarHBondContact O-N 3.04Å; H253-T257 WeakPolarHBondContact O-CB 3.38Å; H253-T257 VanDerWaalsContact O-CG2 3.24Å; H253-T257 WeakPolarHBondContact O-CG2 3.09Å; H253-T257 PolarHBondContact O-N 3.06Å; H253-T257 PolarHBondContact O-OG1 3.3Å
254E72.9Confident68.5Low79 Ų7949.1 Ų49.137%0.36925%0.253SS..Hα-helixtrans-63.8-43.3-179.9-68.9160.6167.800112.4F249 S250 T251 M252 T257 H258F249-E254 HydrophobicContact CB-CB 4.28Å; F249-E254 HydrophobicContact CD1-CB 3.67Å; F249-E254 HydrophobicContact CG-CB 4.33Å; S250-E254 PolarHBondContact N-OE2 3.46Å; S250-E254 PolarHBondContact OG-OE2 3.34Å; T251-E254 PolarHBondContact N-OE2 3.09Å; T251-E254 PolarHBondContact O-N 3.2Å; T251-E254 WeakPolarHBondContact OG1-CB 3.05Å; T251-E254 WeakPolarHBondContact OG1-CG 3.25Å; T251-E254 PolarHBondContact OG1-N 2.85Å; T251-E254 PolarHBondContact OG1-OE2 3.3Å; M252-E254 VanDerWaalsContact C-N 3.28Å; M252-E254 PolarHBondContact O-N 3.42Å; E254-T257 WeakPolarHBondContact CA-OG1 3.34Å; E254-T257 PolarHBondContact O-OG1 3.29Å; E254-H258 WeakPolarHBondContact O-CB 3.25Å; E254-H258 PolarHBondContact O-N 3.15Å
255M73.1Confident68.4Low0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-66.9-42.7177.7-168.117877.400111.6L228 F249 T251 M252 H258 V259 I296 T300L228-M255 HydrophobicContact CB-SD 3.68Å; L228-M255 HydrophobicContact CD1-CE 4.37Å; L228-M255 HydrophobicContact CD1-SD 4.33Å; F249-M255 HydrophobicContact CB-CB 3.78Å; F249-M255 HydrophobicContact CD1-CB 4.49Å; F249-M255 HydrophobicContact CD2-CB 3.52Å; F249-M255 HydrophobicContact CD2-CG 3.44Å; F249-M255 VanDerWaalsContact CD2-CG 3.44Å; F249-M255 HydrophobicContact CD2-SD 4.27Å; F249-M255 HydrophobicContact CE2-CB 4.29Å; F249-M255 HydrophobicContact CE2-CG 3.93Å; F249-M255 HydrophobicContact CG-CB 3.64Å; F249-M255 HydrophobicContact CG-CG 4.11Å; T251-M255 PolarHBondContact O-N 3.49Å; M252-M255 HydrophobicContact CE-CB 3.85Å; M252-M255 HydrophobicContact CE-CE 3.18Å; M252-M255 HydrophobicContact CE-CG 4.45Å; M252-M255 HydrophobicContact CE-SD 4.39Å; M252-M255 PolarHBondContact O-N 2.78Å; M255-H258 PolarHBondContact O-N 3.31Å; M255-V259 HydrophobicContact CG-CG2 4.45Å; M255-V259 VanDerWaalsContact O-CG2 3.31Å; M255-V259 WeakPolarHBondContact O-CG2 3.47Å; M255-V259 PolarHBondContact O-N 3.1Å; M255-I296 HydrophobicContact CE-CG2 3.69Å; M255-T300 HydrophobicContact CE-CG2 3.25Å; M255-T300 HydrophobicContact SD-CG2 4.2Å
256V70.3Confident67.7Low14 Ų1448.2 Ų48.29%0.08526%0.258CS..Hα-helixtrans-67.6-39.6179.31690000111.2M252 H253 S260 V293M252-V256 HydrophobicContact CE-CG2 3.62Å; M252-V256 HydrophobicContact CG-CG2 4.15Å; M252-V256 WeakPolarHBondContact O-CB 3.49Å; M252-V256 WeakPolarHBondContact O-CG2 3.4Å; M252-V256 PolarHBondContact O-N 2.96Å; M252-V256 HydrophobicContact SD-CG2 3.7Å; H253-V256 PolarHBondContact O-N 3.04Å; V256-S260 WeakPolarHBondContact O-CB 3.45Å; V256-S260 PolarHBondContact O-N 3.18Å; V256-S260 PolarHBondContact O-OG 3.46Å; V256-V293 HydrophobicContact CG1-CG1 4.02Å; V256-V293 HydrophobicContact CG1-CG2 3.71Å; V256-V293 HydrophobicContact CG2-CG1 4.04Å
257T70.9Confident66.8Low53 Ų5349.7 Ų49.733%0.32527%0.273SS..Hα-helixtrans-67.6-42.8175.453.30000110.7H253 E254 S260 M261H253-T257 WeakPolarHBondContact O-CB 3.38Å; H253-T257 VanDerWaalsContact O-CG2 3.24Å; H253-T257 WeakPolarHBondContact O-CG2 3.09Å; H253-T257 PolarHBondContact O-N 3.06Å; H253-T257 PolarHBondContact O-OG1 3.3Å; E254-T257 WeakPolarHBondContact CA-OG1 3.34Å; E254-T257 PolarHBondContact O-OG1 3.29Å; T257-S260 PolarHBondContact O-N 2.89Å; T257-M261 VanDerWaalsContact O-CB 3.27Å; T257-M261 WeakPolarHBondContact O-CB 3.45Å; T257-M261 WeakPolarHBondContact O-CG 3.35Å; T257-M261 PolarHBondContact O-N 2.91Å
258H75.9Confident65.9Low13 Ų1352.1 Ų52.16%0.0629%0.29CS..Hα-helixtrans-55.6-55.6173.7167.770.3000111.4C245 F249 E254 M255 S260 M261 E262 H263C245-H258 PolarHBondContact SG-CE1 2.77Å; C245-H258 PolarHBondContact SG-NE2 3.49Å; F249-H258 HydrophobicContact CE1-CB 3.59Å; F249-H258 AromaticContact CE1-CG 3.83Å; F249-H258 HydrophobicContact CE2-CB 4.16Å; F249-H258 AromaticContact CE2-CD2 3.49Å; F249-H258 VanDerWaalsContact CE2-CD2 3.49Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.36Å; F249-H258 AromaticContact CE2-CG 3.87Å; F249-H258 HydrophobicContact CZ-CB 3.37Å; F249-H258 AromaticContact CZ-CD2 3.22Å; F249-H258 WeakPolarHBondContact CZ-CD2 2.91Å; F249-H258 AromaticContact CZ-CG 3.13Å; F249-H258 AromaticContact CZ-ND1 3.75Å; F249-H258 AromaticContact CZ-NE2 3.88Å; E254-H258 WeakPolarHBondContact O-CB 3.25Å; E254-H258 PolarHBondContact O-N 3.15Å; M255-H258 PolarHBondContact O-N 3.31Å; H258-S260 VanDerWaalsContact C-N 3.27Å; H258-S260 PolarHBondContact O-N 2.65Å; H258-M261 PolarHBondContact O-N 3.42Å; H258-E262 WeakPolarHBondContact ND1-CG 3.34Å; H258-E262 VanDerWaalsContact O-CB 3.22Å; H258-E262 WeakPolarHBondContact O-CB 3.38Å; H258-E262 WeakPolarHBondContact O-CG 3.38Å; H258-E262 PolarHBondContact O-N 2.82Å; H258-H263 AromaticContact CE1-NE2 3.81Å; H258-H263 AromaticContact NE2-CD2 3.81Å; H258-H263 AromaticContact NE2-NE2 3.2Å; H258-H263 PolarHBondContact NE2-NE2 2.84Å; H258-H263 VanDerWaalsContact NE2-NE2 3.2Å
259V70.8Confident65.1Low3 Ų353.7 Ų53.72%0.01829%0.291CS..Iπ-helixtrans-60.2-40.8178.6175.50000111W232 M255 M261 H263 V264 I296W232-V259 HydrophobicContact CE3-CG1 3.94Å; W232-V259 HydrophobicContact CH2-CG1 4.08Å; W232-V259 HydrophobicContact CZ3-CG1 3.47Å; W232-V259 VanDerWaalsContact CZ3-CG1 3.47Å; M255-V259 HydrophobicContact CG-CG2 4.45Å; M255-V259 VanDerWaalsContact O-CG2 3.31Å; M255-V259 WeakPolarHBondContact O-CG2 3.47Å; M255-V259 PolarHBondContact O-N 3.1Å; V259-M261 PolarHBondContact O-N 3.44Å; V259-H263 HydrophobicContact CG1-CB 4.47Å; V259-H263 WeakPolarHBondContact O-CB 3.47Å; V259-H263 PolarHBondContact O-N 3.25Å; V259-V264 HydrophobicContact CG1-CG2 4.33Å; V259-V264 WeakPolarHBondContact O-CG2 3.47Å; V259-V264 PolarHBondContact O-N 3.3Å; V259-I296 HydrophobicContact CB-CD1 4.36Å; V259-I296 HydrophobicContact CG1-CD1 3.73Å
260S70.1Confident64Low8 Ų857.1 Ų57.16%0.05632%0.318CS..Iπ-helixtrans-68.5-32-179.2-64.20000114.7V256 T257 H258 K289V256-S260 WeakPolarHBondContact O-CB 3.45Å; V256-S260 PolarHBondContact O-N 3.18Å; V256-S260 PolarHBondContact O-OG 3.46Å; T257-S260 PolarHBondContact O-N 2.89Å; H258-S260 VanDerWaalsContact C-N 3.27Å; H258-S260 PolarHBondContact O-N 2.65Å; S260-K289 VanDerWaalsContact CB-CE 3.43Å; S260-K289 WeakPolarHBondContact OG-CE 3.18Å
261M67.7Low63.6Low124 Ų12459 Ų5961%0.61132%0.323SS*.Iπ-helixtrans-96.6-42.6-174.2-66-63.9-65.800111.3T257 H258 V259T257-M261 VanDerWaalsContact O-CB 3.27Å; T257-M261 WeakPolarHBondContact O-CB 3.45Å; T257-M261 WeakPolarHBondContact O-CG 3.35Å; T257-M261 PolarHBondContact O-N 2.91Å; H258-M261 PolarHBondContact O-N 3.42Å; V259-M261 PolarHBondContact O-N 3.44Å
262E65.9Low63.4Low123 Ų12359.2 Ų59.258%0.57532%0.323SS*.Iπ-helixtrans-89.7-30.2-172.7-58.3-75.1131.500112.7H258H258-E262 WeakPolarHBondContact ND1-CG 3.34Å; H258-E262 VanDerWaalsContact O-CB 3.22Å; H258-E262 WeakPolarHBondContact O-CB 3.38Å; H258-E262 WeakPolarHBondContact O-CG 3.38Å; H258-E262 PolarHBondContact O-N 2.82Å
263H65.1Low63.4Low47 Ų4759.9 Ų59.922%0.21833%0.327CS..Iπ-helixtrans-111.6-30.6-175.2-61.5-46.8000114.1W232 C245 H258 V259W232-H263 WeakPolarHBondContact CB-NE2 3.44Å; W232-H263 AromaticContact CD1-CE1 3.73Å; W232-H263 AromaticContact CD1-CG 3.59Å; W232-H263 AromaticContact CD1-ND1 3.4Å; W232-H263 HydrophobicContact CD2-CB 3.71Å; W232-H263 AromaticContact CD2-CD2 3.69Å; W232-H263 AromaticContact CD2-CG 3.62Å; W232-H263 AromaticContact CE2-CG 3.72Å; W232-H263 HydrophobicContact CE3-CB 4.22Å; W232-H263 HydrophobicContact CG-CB 4.13Å; W232-H263 AromaticContact CG-CD2 3.51Å; W232-H263 AromaticContact CG-CE1 3.78Å; W232-H263 AromaticContact CG-CG 3.53Å; W232-H263 AromaticContact CG-ND1 3.69Å; W232-H263 AromaticContact CG-NE2 3.7Å; W232-H263 HydrophobicContact CH2-CB 4.01Å; W232-H263 HydrophobicContact CZ2-CB 3.54Å; W232-H263 HydrophobicContact CZ3-CB 4.37Å; W232-H263 AromaticContact NE1-CG 3.73Å; W232-H263 AromaticContact NE1-ND1 3.78Å; C245-H263 WeakPolarHBondContact CB-NE2 3.4Å; H258-H263 AromaticContact CE1-NE2 3.81Å; H258-H263 AromaticContact NE2-CD2 3.81Å; H258-H263 AromaticContact NE2-NE2 3.2Å; H258-H263 PolarHBondContact NE2-NE2 2.84Å; H258-H263 VanDerWaalsContact NE2-NE2 3.2Å; V259-H263 HydrophobicContact CG1-CB 4.47Å; V259-H263 WeakPolarHBondContact O-CB 3.47Å; V259-H263 PolarHBondContact O-N 3.25Å
264V61.4Low63.3Low9 Ų956.7 Ų56.76%0.05531%0.313CS..SBendtrans-93.1-4.8-178.3-1800000112.2W232 V259 G266 H272 L292W232-V264 HydrophobicContact CH2-CG2 4.31Å; V259-V264 HydrophobicContact CG1-CG2 4.33Å; V259-V264 WeakPolarHBondContact O-CG2 3.47Å; V259-V264 PolarHBondContact O-N 3.3Å; V264-G266 PolarHBondContact O-N 3.24Å; V264-H272 VanDerWaalsContact CG1-ND1 3.27Å; V264-H272 WeakPolarHBondContact CG1-ND1 3.31Å; V264-L292 HydrophobicContact CG2-CD2 3.52Å
265G54.9Low62.8Low34 Ų3454.9 Ų54.935%0.35130%0.303SS..  trans66.135.416800000115.1Q269G265-Q269 PolarHBondContact O-NE2 3.5Å
266G50.6Low62.6Low18 Ų1856.2 Ų56.219%0.18631%0.309CS..SBendtrans81.5177.9175.300000115.1V264 E268V264-G266 PolarHBondContact O-N 3.24Å; G266-E268 PolarHBondContact O-N 2.84Å
267P49.5Very low62.1Low125 Ų12559.6 Ų59.681%0.81232%0.323SS*.THydrogen-bonded Turntrans-70.8-8.9-169.327-33.5000115.5
268E50.6Low61.9Low186 Ų18663.7 Ų63.787%0.86934%0.343SS*.THydrogen-bonded Turntrans-107.1-0.9-169.6-67.6-169.415600115.2G266G266-E268 PolarHBondContact O-N 2.84Å
269Q52.3Low61.6Low116 Ų11663.5 Ų63.554%0.54234%0.344SS..  trans-92.5115176.9-62.5-173.529.500111G265 N271G265-Q269 PolarHBondContact O-NE2 3.5Å; Q269-N271 PolarHBondContact O-N 2.83Å; Q269-N271 VanDerWaalsContact O-N 3.1Å
270S49.3Very low61.3Low97 Ų9769.6 Ų69.668%0.67838%0.383SS*.SBendtrans-68.2-1.6-175.351.50000115.1
271N58.3Low60.8Low104 Ų10474.6 Ų74.656%0.55640%0.401SS*.  trans-113.380.6-177.7-71.2-31.7000110.8Q269 V273Q269-N271 PolarHBondContact O-N 2.83Å; Q269-N271 VanDerWaalsContact O-N 3.1Å; N271-V273 VanDerWaalsContact C-N 3.31Å; N271-V273 HydrophobicContact CB-CG2 4.27Å; N271-V273 PolarHBondContact O-N 2.98Å
272H65.9Low60.3Low20 Ų2072 Ų729%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-78.580.6172-51.7-63.4000109.2V264 F286 A288 K289 L292V264-H272 VanDerWaalsContact CG1-ND1 3.27Å; V264-H272 WeakPolarHBondContact CG1-ND1 3.31Å; H272-F286 HydrophobicContact CB-CB 3.98Å; H272-F286 VanDerWaalsContact CB-O 3.31Å; H272-F286 WeakPolarHBondContact CB-O 3.42Å; H272-F286 PolarHBondContact CD2-O 3.11Å; H272-F286 PolarHBondContact N-O 3.42Å; H272-F286 WeakPolarHBondContact O-CA 3.12Å; H272-F286 VanDerWaalsContact O-CB 3.27Å; H272-F286 WeakPolarHBondContact O-CB 3.19Å; H272-F286 WeakPolarHBondContact O-CD2 3.44Å; H272-F286 PolarHBondContact O-N 3.39Å; H272-A288 WeakPolarHBondContact CD2-CA 3.27Å; H272-A288 PolarHBondContact CD2-N 2.92Å; H272-K289 PolarHBondContact CD2-N 3.03Å; H272-K289 PolarHBondContact NE2-N 3.31Å; H272-L292 HydrophobicContact CB-CB 4.08Å; H272-L292 HydrophobicContact CB-CD2 3.91Å
273V65.3Low59.7Low18 Ų1868.3 Ų68.311%0.10938%0.383CS..EExtended strand (participates in β ladder)trans-86.3155.1-178.5-174.30000110.2W232 N271 F275 L292W232-V273 WeakPolarHBondContact CH2-O 3.45Å; N271-V273 VanDerWaalsContact C-N 3.31Å; N271-V273 HydrophobicContact CB-CG2 4.27Å; N271-V273 PolarHBondContact O-N 2.98Å; V273-F275 HydrophobicContact CB-CD2 4.05Å; V273-F275 HydrophobicContact CB-CE1 4.42Å; V273-F275 HydrophobicContact CB-CE2 3.44Å; V273-F275 VanDerWaalsContact CB-CE2 3.44Å; V273-F275 HydrophobicContact CB-CZ 3.67Å; V273-F275 HydrophobicContact CG1-CD1 3.99Å; V273-F275 HydrophobicContact CG1-CD2 3.91Å; V273-F275 HydrophobicContact CG1-CE1 3.54Å; V273-F275 HydrophobicContact CG1-CE2 3.46Å; V273-F275 VanDerWaalsContact CG1-CE2 3.46Å; V273-F275 HydrophobicContact CG1-CG 4.17Å; V273-F275 HydrophobicContact CG1-CZ 3.26Å; V273-F275 HydrophobicContact CG2-CE2 4.26Å; V273-F275 HydrophobicContact CG2-CZ 4.2Å; V273-L292 WeakPolarHBondContact O-CD1 3.41Å
274C69.1Low59.4Low0 Ų072.5 Ų72.50%040%0.4CS..  trans-105.7128166.2179.50000108F286 L292 H295C274-F286 HydrophobicContact CB-CE2 3.93Å; C274-L292 HydrophobicContact CB-CD1 3.81Å; C274-H295 VanDerWaalsContact SG-CD2 3.54Å; C274-H295 PolarHBondContact SG-NE2 3.41Å
275F62.2Low59.4Low40 Ų4075 Ų7518%0.17542%0.418CS..  trans-12563.6178.6-64.2-71.3000110.4W232 I233 E235 V273 E282W232-F275 WeakPolarHBondContact CA-O 3.15Å; W232-F275 HydrophobicContact CD2-CB 4.29Å; W232-F275 AromaticContact CE2-CD2 3.76Å; W232-F275 HydrophobicContact CH2-CD2 4.4Å; W232-F275 HydrophobicContact CZ2-CB 4.38Å; W232-F275 AromaticContact CZ2-CD2 3.54Å; W232-F275 HydrophobicContact CZ2-CD2 3.54Å; W232-F275 HydrophobicContact CZ2-CE2 4.38Å; W232-F275 HydrophobicContact CZ2-CG 4.43Å; W232-F275 AromaticContact NE1-CD2 3.86Å; I233-F275 PolarHBondContact N-O 3.29Å; I233-F275 VanDerWaalsContact N-O 3.07Å; I233-F275 WeakPolarHBondContact O-CB 3.22Å; E235-F275 WeakPolarHBondContact OE2-CE1 3.45Å; V273-F275 HydrophobicContact CB-CD2 4.05Å; V273-F275 HydrophobicContact CB-CE1 4.42Å; V273-F275 HydrophobicContact CB-CE2 3.44Å; V273-F275 VanDerWaalsContact CB-CE2 3.44Å; V273-F275 HydrophobicContact CB-CZ 3.67Å; V273-F275 HydrophobicContact CG1-CD1 3.99Å; V273-F275 HydrophobicContact CG1-CD2 3.91Å; V273-F275 HydrophobicContact CG1-CE1 3.54Å; V273-F275 HydrophobicContact CG1-CE2 3.46Å; V273-F275 VanDerWaalsContact CG1-CE2 3.46Å; V273-F275 HydrophobicContact CG1-CG 4.17Å; V273-F275 HydrophobicContact CG1-CZ 3.26Å; V273-F275 HydrophobicContact CG2-CE2 4.26Å; V273-F275 HydrophobicContact CG2-CZ 4.2Å; F275-E282 WeakPolarHBondContact CA-OE1 3.32Å; F275-E282 VanDerWaalsContact CA-OE2 3.25Å; F275-E282 WeakPolarHBondContact CA-OE2 3.33Å
276W68.9Low60Low28 Ų2874 Ų7411%0.10640%0.404CS..BIsolated β-bridgetrans-102.5131179.8-162.2-73.4000108.4S229 K231 D278 C279 E282 H299S229-W276 VanDerWaalsContact O-CH2 3.23Å; S229-W276 WeakPolarHBondContact O-CH2 3.37Å; K231-W276 HydrophobicContact CB-CZ2 4.37Å; W276-D278 PolarHBondContact O-N 2.91Å; W276-C279 HydrophobicContact CB-CB 4.17Å; W276-C279 WeakPolarHBondContact O-CB 3.39Å; W276-C279 PolarHBondContact O-N 3.18Å; W276-E282 PolarHBondContact N-OE1 3.14Å; W276-E282 PolarHBondContact N-OE2 3.43Å; W276-H299 WeakPolarHBondContact CB-NE2 3.48Å; W276-H299 AromaticContact CD1-ND1 4Å; W276-H299 HydrophobicContact CD2-CB 3.85Å; W276-H299 AromaticContact CD2-CD2 3.6Å; W276-H299 AromaticContact CD2-CG 3.7Å; W276-H299 AromaticContact CE2-CG 3.97Å; W276-H299 HydrophobicContact CE3-CB 4.13Å; W276-H299 AromaticContact CE3-CD2 3.74Å; W276-H299 HydrophobicContact CG-CB 4.4Å; W276-H299 AromaticContact CG-CD2 3.61Å; W276-H299 AromaticContact CG-CE1 3.94Å; W276-H299 AromaticContact CG-CG 3.79Å; W276-H299 AromaticContact CG-NE2 3.72Å; W276-H299 HydrophobicContact CH2-CB 4.16Å; W276-H299 HydrophobicContact CZ2-CB 3.89Å; W276-H299 HydrophobicContact CZ3-CB 4.28Å
277E60.2Low60.7Low85 Ų8583 Ų8340%0.39744%0.438SS..THydrogen-bonded Turntrans-45.8-34.5-165.5-47.1-166.9118.100115.6K231 I233K231-E277 HydrophobicContact CB-CG 4.18Å; K231-E277 IonicContact NZ-OE2 2.85Å; I233-E277 HydrophobicContact CD1-CB 4.4Å; I233-E277 HydrophobicContact CD1-CG 3.95Å; I233-E277 HydrophobicContact CG1-CG 4.21Å
278D65.4Low61.6Low139 Ų13978.2 Ų78.274%0.74341%0.409SS*.THydrogen-bonded Turntrans-11421.4-178.9-60.1-51.1000114.6W276 P280W276-D278 PolarHBondContact O-N 2.91Å; D278-P280 WeakPolarHBondContact O-CD 3.36Å
279C70.6Confident62.3Low10 Ų1073.8 Ų73.87%0.06839%0.387CS..  trans-72.5131.7-178.6-162.20000111.9W276 R281 E282 H295 H299W276-C279 HydrophobicContact CB-CB 4.17Å; W276-C279 WeakPolarHBondContact O-CB 3.39Å; W276-C279 PolarHBondContact O-N 3.18Å; C279-R281 PolarHBondContact O-N 3.44Å; C279-R281 PolarHBondContact SG-N 3.16Å; C279-R281 VanDerWaalsContact SG-N 3.42Å; C279-E282 HydrophobicContact CB-CG 4.03Å; C279-E282 WeakPolarHBondContact CB-OE1 3.24Å; C279-E282 WeakPolarHBondContact O-CG 3.4Å; C279-E282 PolarHBondContact O-N 3.45Å; C279-H295 PolarHBondContact SG-CE1 2.94Å; C279-H295 PolarHBondContact SG-NE2 3.46Å; C279-H299 VanDerWaalsContact SG-CE1 3.58Å; C279-H299 PolarHBondContact SG-NE2 2.98Å
280P64.4Low63.1Low131 Ų13174.8 Ų74.885%0.85139%0.386SS*.THydrogen-bonded Turntrans-64.9-1169.2-18.631.1000113.9D278D278-P280 WeakPolarHBondContact O-CD 3.36Å
281R60.2Low64.3Low113 Ų11375 Ų7543%0.42638%0.375SS..THydrogen-bonded Turntrans-126.917.6-172.6-148.1-166.3-82.3-140.6-11.5112.9C279 G283 K284 F286C279-R281 PolarHBondContact O-N 3.44Å; C279-R281 PolarHBondContact SG-N 3.16Å; C279-R281 VanDerWaalsContact SG-N 3.42Å; R281-G283 PolarHBondContact O-N 3.26Å; R281-K284 HydrophobicContact CG-CB 3.84Å; R281-K284 HydrophobicContact CG-CD 3.75Å; R281-K284 HydrophobicContact CG-CG 3.94Å; R281-K284 PolarHBondContact O-N 3.18Å; R281-K284 VanDerWaalsContact O-N 3.11Å; R281-F286 VanDerWaalsContact CD-CZ 3.45Å
282E55.1Low65Low68 Ų6870.2 Ų70.232%0.31835%0.35SS..THydrogen-bonded Turntrans-45.4129.6173.5-71.9-53.791.500110.5F275 W276 C279 K284F275-E282 WeakPolarHBondContact CA-OE1 3.32Å; F275-E282 VanDerWaalsContact CA-OE2 3.25Å; F275-E282 WeakPolarHBondContact CA-OE2 3.33Å; W276-E282 PolarHBondContact N-OE1 3.14Å; W276-E282 PolarHBondContact N-OE2 3.43Å; C279-E282 HydrophobicContact CB-CG 4.03Å; C279-E282 WeakPolarHBondContact CB-OE1 3.24Å; C279-E282 WeakPolarHBondContact O-CG 3.4Å; C279-E282 PolarHBondContact O-N 3.45Å; E282-K284 PolarHBondContact O-N 3.1Å
283G54.1Low65.2Low47 Ų4770.4 Ų70.449%0.48535%0.352SS..THydrogen-bonded Turntrans80.2-4.1176.900000116.9R281R281-G283 PolarHBondContact O-N 3.26Å
284K58.7Low65.7Low134 Ų13471.9 Ų71.958%0.58336%0.359SS*.PPolyproline II helixtrans-92123.4176.9-46.8-173.6-179.9172.70111.8R281 E282R281-K284 HydrophobicContact CG-CB 3.84Å; R281-K284 HydrophobicContact CG-CD 3.75Å; R281-K284 HydrophobicContact CG-CG 3.94Å; R281-K284 PolarHBondContact O-N 3.18Å; R281-K284 VanDerWaalsContact O-N 3.11Å; E282-K284 PolarHBondContact O-N 3.1Å
285S62.3Low66.1Low61 Ų6173 Ų7343%0.42736%0.364SS..EExtended strand (participates in β ladder)trans-70.8132.6175.262.10000111.8
286F66.4Low66.6Low15 Ų1571.2 Ų71.27%0.06636%0.357CS..EExtended strand (participates in β ladder)trans-82.5133.9163.9-66.1-93.2000108H272 C274 R281 A288 K291 L292 H295H272-F286 HydrophobicContact CB-CB 3.98Å; H272-F286 VanDerWaalsContact CB-O 3.31Å; H272-F286 WeakPolarHBondContact CB-O 3.42Å; H272-F286 PolarHBondContact CD2-O 3.11Å; H272-F286 PolarHBondContact N-O 3.42Å; H272-F286 WeakPolarHBondContact O-CA 3.12Å; H272-F286 VanDerWaalsContact O-CB 3.27Å; H272-F286 WeakPolarHBondContact O-CB 3.19Å; H272-F286 WeakPolarHBondContact O-CD2 3.44Å; H272-F286 PolarHBondContact O-N 3.39Å; C274-F286 HydrophobicContact CB-CE2 3.93Å; R281-F286 VanDerWaalsContact CD-CZ 3.45Å; F286-A288 PolarHBondContact O-N 2.86Å; F286-K291 HydrophobicContact CB-CB 4.2Å; F286-K291 HydrophobicContact CD1-CB 3.76Å; F286-K291 HydrophobicContact CG-CB 4.37Å; F286-L292 HydrophobicContact CB-CB 4.22Å; F286-L292 HydrophobicContact CD2-CB 4.08Å; F286-L292 HydrophobicContact CD2-CD1 3.73Å; F286-L292 HydrophobicContact CE2-CD1 3.87Å; F286-L292 HydrophobicContact CG-CB 4.17Å; F286-H295 HydrophobicContact CE1-CB 3.71Å; F286-H295 HydrophobicContact CE2-CB 4.13Å; F286-H295 AromaticContact CE2-CD2 3.55Å; F286-H295 AromaticContact CE2-CG 3.87Å; F286-H295 HydrophobicContact CZ-CB 3.39Å; F286-H295 AromaticContact CZ-CD2 3.38Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.33Å; F286-H295 AromaticContact CZ-CG 3.22Å; F286-H295 AromaticContact CZ-ND1 3.8Å; F286-H295 AromaticContact CZ-NE2 3.98Å
287K65.7Low67Low207 Ų20770.7 Ų70.790%0.936%0.355SS*.SBendtrans-68.7-12.5178.1-64-172.4177.1-172.60114.2
288A68Low67.7Low23 Ų2371.7 Ų71.719%0.1937%0.367CS..SBendtrans-150.1141.8-178.900000112.7H272 F286 Y290 K291 L292H272-A288 WeakPolarHBondContact CD2-CA 3.27Å; H272-A288 PolarHBondContact CD2-N 2.92Å; F286-A288 PolarHBondContact O-N 2.86Å; A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 HydrophobicContact CB-CD1 3.53Å; A288-Y290 HydrophobicContact CB-CE1 3.3Å; A288-Y290 PolarHBondContact O-N 2.8Å; A288-K291 HydrophobicContact CB-CG 4.25Å; A288-K291 VanDerWaalsContact O-CB 3.31Å; A288-K291 WeakPolarHBondContact O-CB 3.2Å; A288-K291 PolarHBondContact O-N 3.47Å; A288-L292 PolarHBondContact O-N 3.35Å
289K66.1Low68Low93 Ų9367.4 Ų67.440%0.40434%0.342SS..Hα-helixtrans-50.8-45.7179.1-176175.7-178.8171.60113.3S260 H272 K291 L292 V293S260-K289 VanDerWaalsContact CB-CE 3.43Å; S260-K289 WeakPolarHBondContact OG-CE 3.18Å; H272-K289 PolarHBondContact CD2-N 3.03Å; H272-K289 PolarHBondContact NE2-N 3.31Å; K289-K291 PolarHBondContact O-N 2.99Å; K289-L292 PolarHBondContact O-N 3.11Å; K289-L292 VanDerWaalsContact O-N 3.16Å; K289-V293 HydrophobicContact CG-CG2 4.5Å; K289-V293 WeakPolarHBondContact O-CG2 3.33Å; K289-V293 PolarHBondContact O-N 3.17Å
290Y69.5Low67.9Low138 Ų13867.8 Ų67.854%0.54134%0.344SS..Hα-helixtrans-63.6-25179.876.6-89.1000113A288 N294A288-Y290 VanDerWaalsContact C-N 3.32Å; A288-Y290 HydrophobicContact CB-CD1 3.53Å; A288-Y290 HydrophobicContact CB-CE1 3.3Å; A288-Y290 PolarHBondContact O-N 2.8Å; Y290-N294 WeakPolarHBondContact O-CB 3.39Å; Y290-N294 VanDerWaalsContact O-CG 3.26Å; Y290-N294 PolarHBondContact O-N 2.85Å; Y290-N294 PolarHBondContact O-ND2 3.13Å
291K74.3Confident68.1Low102 Ų10263.9 Ų63.944%0.44333%0.327SS..Hα-helixtrans-75-41.3175.7-64-67.2-163.4-166.50111.2F286 A288 K289 N294 H295F286-K291 HydrophobicContact CB-CB 4.2Å; F286-K291 HydrophobicContact CD1-CB 3.76Å; F286-K291 HydrophobicContact CG-CB 4.37Å; A288-K291 HydrophobicContact CB-CG 4.25Å; A288-K291 VanDerWaalsContact O-CB 3.31Å; A288-K291 WeakPolarHBondContact O-CB 3.2Å; A288-K291 PolarHBondContact O-N 3.47Å; K289-K291 PolarHBondContact O-N 2.99Å; K291-N294 PolarHBondContact O-N 3.3Å; K291-H295 WeakPolarHBondContact O-CB 3.47Å; K291-H295 PolarHBondContact O-N 3.09Å
292L72.1Confident68.4Low3 Ų359.2 Ų59.22%0.01631%0.31CS..Hα-helixtrans-61.8-46.9172.6176.462.7000110.7V264 H272 V273 C274 F286 A288 K289 N294 H295 I296V264-L292 HydrophobicContact CG2-CD2 3.52Å; H272-L292 HydrophobicContact CB-CB 4.08Å; H272-L292 HydrophobicContact CB-CD2 3.91Å; V273-L292 WeakPolarHBondContact O-CD1 3.41Å; C274-L292 HydrophobicContact CB-CD1 3.81Å; F286-L292 HydrophobicContact CB-CB 4.22Å; F286-L292 HydrophobicContact CD2-CB 4.08Å; F286-L292 HydrophobicContact CD2-CD1 3.73Å; F286-L292 HydrophobicContact CE2-CD1 3.87Å; F286-L292 HydrophobicContact CG-CB 4.17Å; A288-L292 PolarHBondContact O-N 3.35Å; K289-L292 PolarHBondContact O-N 3.11Å; K289-L292 VanDerWaalsContact O-N 3.16Å; L292-N294 VanDerWaalsContact C-N 3.33Å; L292-N294 PolarHBondContact O-N 3Å; L292-H295 CarbonylContact O-C 3.53Å; L292-H295 WeakPolarHBondContact O-CA 3.45Å; L292-H295 WeakPolarHBondContact O-CB 3.41Å; L292-H295 PolarHBondContact O-N 2.71Å; L292-I296 HydrophobicContact CD1-CD1 4.26Å; L292-I296 HydrophobicContact CD1-CG1 4.29Å; L292-I296 HydrophobicContact CG-CD1 3.98Å; L292-I296 HydrophobicContact CG-CG1 4.47Å; L292-I296 WeakPolarHBondContact O-CG1 3.38Å; L292-I296 PolarHBondContact O-N 3.41Å
293V71.7Confident69.2Low23 Ų2361.8 Ų61.814%0.13932%0.32CS..Hα-helixtrans-58.8-43.2176.3174.50000111.9V256 K289 H295 I296V256-V293 HydrophobicContact CG1-CG1 4.02Å; V256-V293 HydrophobicContact CG1-CG2 3.71Å; V256-V293 HydrophobicContact CG2-CG1 4.04Å; K289-V293 HydrophobicContact CG-CG2 4.5Å; K289-V293 WeakPolarHBondContact O-CG2 3.33Å; K289-V293 PolarHBondContact O-N 3.17Å; V293-H295 PolarHBondContact O-N 3.45Å; V293-I296 PolarHBondContact O-N 3.38Å
294N74.6Confident70Confident49 Ų4960 Ų6026%0.26230%0.301SS..Hα-helixtrans-65.5-29.1174.6-78.6-48.4000113Y290 K291 L292 R297Y290-N294 WeakPolarHBondContact O-CB 3.39Å; Y290-N294 VanDerWaalsContact O-CG 3.26Å; Y290-N294 PolarHBondContact O-N 2.85Å; Y290-N294 PolarHBondContact O-ND2 3.13Å; K291-N294 PolarHBondContact O-N 3.3Å; L292-N294 VanDerWaalsContact C-N 3.33Å; L292-N294 PolarHBondContact O-N 3Å; N294-R297 PolarHBondContact OD1-NH1 2.86Å
295H78.3Confident70.7Confident23 Ų2355.7 Ų55.711%0.10628%0.282CS..Hα-helixtrans-76-40.1177.4170.866.6000112.2C274 C279 F286 K291 L292 V293 R297 V298 H299C274-H295 VanDerWaalsContact SG-CD2 3.54Å; C274-H295 PolarHBondContact SG-NE2 3.41Å; C279-H295 PolarHBondContact SG-CE1 2.94Å; C279-H295 PolarHBondContact SG-NE2 3.46Å; F286-H295 HydrophobicContact CE1-CB 3.71Å; F286-H295 HydrophobicContact CE2-CB 4.13Å; F286-H295 AromaticContact CE2-CD2 3.55Å; F286-H295 AromaticContact CE2-CG 3.87Å; F286-H295 HydrophobicContact CZ-CB 3.39Å; F286-H295 AromaticContact CZ-CD2 3.38Å; F286-H295 WeakPolarHBondContact CZ-CD2 3.33Å; F286-H295 AromaticContact CZ-CG 3.22Å; F286-H295 AromaticContact CZ-ND1 3.8Å; F286-H295 AromaticContact CZ-NE2 3.98Å; K291-H295 WeakPolarHBondContact O-CB 3.47Å; K291-H295 PolarHBondContact O-N 3.09Å; L292-H295 CarbonylContact O-C 3.53Å; L292-H295 WeakPolarHBondContact O-CA 3.45Å; L292-H295 WeakPolarHBondContact O-CB 3.41Å; L292-H295 PolarHBondContact O-N 2.71Å; V293-H295 PolarHBondContact O-N 3.45Å; H295-R297 PolarHBondContact O-N 3.35Å; H295-R297 VanDerWaalsContact O-N 3.13Å; H295-V298 WeakPolarHBondContact O-CB 3.17Å; H295-V298 VanDerWaalsContact O-CG2 3.32Å; H295-V298 WeakPolarHBondContact O-CG2 3.04Å; H295-V298 PolarHBondContact O-N 2.95Å; H295-H299 AromaticContact NE2-NE2 3.63Å
296I73.1Confident71.4Confident4 Ų456.4 Ų56.42%0.02129%0.285CS..Hα-helixtrans-56.4-31.1175.8-68.8164.1000111.5M255 V259 L292 V293 V298 H299 T300M255-I296 HydrophobicContact CE-CG2 3.69Å; V259-I296 HydrophobicContact CB-CD1 4.36Å; V259-I296 HydrophobicContact CG1-CD1 3.73Å; L292-I296 HydrophobicContact CD1-CD1 4.26Å; L292-I296 HydrophobicContact CD1-CG1 4.29Å; L292-I296 HydrophobicContact CG-CD1 3.98Å; L292-I296 HydrophobicContact CG-CG1 4.47Å; L292-I296 WeakPolarHBondContact O-CG1 3.38Å; L292-I296 PolarHBondContact O-N 3.41Å; V293-I296 PolarHBondContact O-N 3.38Å; I296-V298 PolarHBondContact O-N 2.95Å; I296-V298 VanDerWaalsContact O-N 3.1Å; I296-H299 WeakPolarHBondContact O-CB 3.49Å; I296-H299 PolarHBondContact O-N 2.96Å; I296-T300 HydrophobicContact CG2-CG2 4.39Å; I296-T300 PolarHBondContact O-N 2.87Å; I296-T300 VanDerWaalsContact O-N 3.15Å
297R75.9Confident72.2Confident16 Ų1656.4 Ų56.46%0.0629%0.287CS..Hα-helixtrans-60.7-18.1173.2-64.4177.5-178.1174.31114.6N294 H295 G301 E302 A317N294-R297 PolarHBondContact OD1-NH1 2.86Å; H295-R297 PolarHBondContact O-N 3.35Å; H295-R297 VanDerWaalsContact O-N 3.13Å; R297-G301 WeakPolarHBondContact O-CA 3.27Å; R297-G301 PolarHBondContact O-N 2.79Å; R297-E302 PolarHBondContact O-N 3.06Å; R297-A317 PolarHBondContact NH1-O 3.47Å
298V74.9Confident72.8Confident107 Ų10750.7 Ų50.765%0.64827%0.271SS*.Hα-helixtrans-70.1-38.8172.8179.20000110.3H295 I296H295-V298 WeakPolarHBondContact O-CB 3.17Å; H295-V298 VanDerWaalsContact O-CG2 3.32Å; H295-V298 WeakPolarHBondContact O-CG2 3.04Å; H295-V298 PolarHBondContact O-N 2.95Å; I296-V298 PolarHBondContact O-N 2.95Å; I296-V298 VanDerWaalsContact O-N 3.1Å
299H71.3Confident73.3Confident49 Ų4953 Ų5323%0.22728%0.277CS..Hα-helixtrans-75.6-39.5179.2-60-46.8000111.7W276 C279 H295 I296W276-H299 WeakPolarHBondContact CB-NE2 3.48Å; W276-H299 AromaticContact CD1-ND1 4Å; W276-H299 HydrophobicContact CD2-CB 3.85Å; W276-H299 AromaticContact CD2-CD2 3.6Å; W276-H299 AromaticContact CD2-CG 3.7Å; W276-H299 AromaticContact CE2-CG 3.97Å; W276-H299 HydrophobicContact CE3-CB 4.13Å; W276-H299 AromaticContact CE3-CD2 3.74Å; W276-H299 HydrophobicContact CG-CB 4.4Å; W276-H299 AromaticContact CG-CD2 3.61Å; W276-H299 AromaticContact CG-CE1 3.94Å; W276-H299 AromaticContact CG-CG 3.79Å; W276-H299 AromaticContact CG-NE2 3.72Å; W276-H299 HydrophobicContact CH2-CB 4.16Å; W276-H299 HydrophobicContact CZ2-CB 3.89Å; W276-H299 HydrophobicContact CZ3-CB 4.28Å; C279-H299 VanDerWaalsContact SG-CE1 3.58Å; C279-H299 PolarHBondContact SG-NE2 2.98Å; H295-H299 AromaticContact NE2-NE2 3.63Å; I296-H299 WeakPolarHBondContact O-CB 3.49Å; I296-H299 PolarHBondContact O-N 2.96Å
300T68.9Low73.8Confident17 Ų1754.7 Ų54.710%0.10430%0.297CS..Hα-helixtrans-84.9-9.8-179.864.40000114.6L228 M255 I296 E302L228-T300 HydrophobicContact CD2-CG2 3.96Å; M255-T300 HydrophobicContact CE-CG2 3.25Å; M255-T300 HydrophobicContact SD-CG2 4.2Å; I296-T300 HydrophobicContact CG2-CG2 4.39Å; I296-T300 PolarHBondContact O-N 2.87Å; I296-T300 VanDerWaalsContact O-N 3.15Å; T300-E302 PolarHBondContact O-N 2.85Å; T300-E302 VanDerWaalsContact O-N 3.1Å
301G68.8Low74.3Confident49 Ų4952.4 Ų52.451%0.50532%0.316SS..  trans66.48.2-176.700000114.4R297 K303R297-G301 WeakPolarHBondContact O-CA 3.27Å; R297-G301 PolarHBondContact O-N 2.79Å; G301-K303 PolarHBondContact O-N 2.82Å
302E66.1Low74.7Confident15 Ų1548.7 Ų48.77%0.0730%0.303CS..  trans-66.7133.9-174.5-86.7-168.3-132.200113.4I224 L228 M252 R297 T300I224-E302 WeakPolarHBondContact CD1-OE1 3.48Å; L228-E302 WeakPolarHBondContact CD1-OE1 3.42Å; M252-E302 WeakPolarHBondContact CB-OE1 3.32Å; M252-E302 WeakPolarHBondContact CE-OE1 3.39Å; M252-E302 WeakPolarHBondContact CG-OE2 3.34Å; M252-E302 VanDerWaalsContact SD-CD 3.52Å; M252-E302 VanDerWaalsContact SD-OE2 3.36Å; R297-E302 PolarHBondContact O-N 3.06Å; T300-E302 PolarHBondContact O-N 2.85Å; T300-E302 VanDerWaalsContact O-N 3.1Å
303K73.2Confident75Confident122 Ų12251.7 Ų51.753%0.5333%0.334SS..  trans-127.289.3178.6-66171-174.1177.70108.6G301 F305 I315 F316 A317G301-K303 PolarHBondContact O-N 2.82Å; K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 PolarHBondContact O-N 3.4Å; K303-I315 HydrophobicContact CB-CB 3.96Å; K303-I315 HydrophobicContact CB-CG2 3.57Å; K303-I315 WeakPolarHBondContact CD-O 3.41Å; K303-I315 WeakPolarHBondContact O-CG2 3.37Å; K303-F316 CarbonylContact C-O 3.53Å; K303-F316 WeakPolarHBondContact CA-O 3.34Å; K303-A317 HydrophobicContact CG-CB 4.35Å
304P69.6Low75.3Confident11 Ų1156.2 Ų56.27%0.07135%0.352CS..  trans-83.2-3.5-173.732-34.8000114.3Y219 P306 F316Y219-P304 HydrophobicContact CD1-CB 3.85Å; Y219-P304 HydrophobicContact CE1-CB 3.17Å; Y219-P304 HydrophobicContact CE1-CG 4.5Å; Y219-P304 HydrophobicContact CE2-CB 4.29Å; Y219-P304 VanDerWaalsContact CZ-CA 3.46Å; Y219-P304 VanDerWaalsContact CZ-CB 3.42Å; Y219-P304 WeakPolarHBondContact OH-CA 3.24Å; P304-P306 VanDerWaalsContact C-CD 3.49Å; P304-P306 WeakPolarHBondContact O-CD 3.27Å; P304-F316 WeakPolarHBondContact CD-O 3.41Å
305F74.6Confident75.5Confident42 Ų4258 Ų5818%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-112.883.6-173.9-57.1-71000110.9K303 F316 A317 R318 L322K303-F305 VanDerWaalsContact C-N 3.28Å; K303-F305 PolarHBondContact O-N 3.4Å; F305-F316 HydrophobicContact CB-CB 4.23Å; F305-F316 WeakPolarHBondContact CB-O 3.4Å; F305-F316 WeakPolarHBondContact CD2-O 3.48Å; F305-F316 PolarHBondContact N-O 2.91Å; F305-F316 PolarHBondContact O-N 3.48Å; F305-A317 WeakPolarHBondContact CE2-O 2.87Å; F305-R318 VanDerWaalsContact CE2-C 3.5Å; F305-L322 HydrophobicContact CB-CB 3.96Å; F305-L322 HydrophobicContact CB-CD2 3.82Å; F305-L322 HydrophobicContact CB-CG 4.46Å
306P76.9Confident75.5Confident76 Ų7658.8 Ų58.849%0.49436%0.364SS..EExtended strand (participates in β ladder)trans-68.8146.4173.529-34000111.1P304 I315 L322P304-P306 VanDerWaalsContact C-CD 3.49Å; P304-P306 WeakPolarHBondContact O-CD 3.27Å; P306-I315 HydrophobicContact CB-CG2 4.19Å; P306-L322 WeakPolarHBondContact O-CD2 3.42Å
307C82.3Confident75.5Confident15 Ų1560.1 Ų60.110%0.10138%0.375CS..  trans-70.9125.8170.3-167.80000109.7F309 C312 K314 L322 H325 H329C307-F309 PolarHBondContact O-N 3.22Å; C307-C312 HydrophobicContact CB-CB 4.25Å; C307-K314 WeakPolarHBondContact CB-O 3.05Å; C307-K314 PolarHBondContact N-O 3.06Å; C307-L322 HydrophobicContact CB-CD1 4.17Å; C307-H325 PolarHBondContact SG-CD2 3.21Å; C307-H325 PolarHBondContact SG-NE2 3.35Å; C307-H329 PolarHBondContact SG-NE2 3.44Å
308P79.4Confident75.6Confident87 Ų8764.8 Ų64.857%0.56539%0.393SS*.  trans-76.5-6.8179.932.7-36.5000113
309F78.8Confident75.6Confident72 Ų7263.2 Ų63.232%0.31639%0.387SS..SBendtrans-73.6123.3179.6-77.7-87.1000110.5C307 C312 K326 H329 T330C307-F309 PolarHBondContact O-N 3.22Å; F309-C312 HydrophobicContact CB-CB 4.14Å; F309-C312 WeakPolarHBondContact O-CB 3.4Å; F309-C312 PolarHBondContact O-N 3.31Å; F309-K326 HydrophobicContact CE2-CB 4.25Å; F309-K326 HydrophobicContact CE2-CG 4.13Å; F309-H329 HydrophobicContact CD1-CB 3.83Å; F309-H329 AromaticContact CD1-CG 3.96Å; F309-H329 HydrophobicContact CD2-CB 3.81Å; F309-H329 AromaticContact CD2-CD2 3.24Å; F309-H329 WeakPolarHBondContact CD2-CD2 3.31Å; F309-H329 AromaticContact CD2-CG 3.59Å; F309-H329 HydrophobicContact CE1-CB 3.66Å; F309-H329 HydrophobicContact CE2-CB 3.62Å; F309-H329 AromaticContact CE2-CD2 3.77Å; F309-H329 AromaticContact CE2-CG 3.92Å; F309-H329 HydrophobicContact CG-CB 3.9Å; F309-H329 AromaticContact CG-CD2 3.6Å; F309-H329 AromaticContact CG-CG 3.6Å; F309-H329 HydrophobicContact CZ-CB 3.55Å; F309-T330 HydrophobicContact CZ-CG2 4.11Å
310P76.8Confident76.1Confident128 Ų12865.2 Ų65.283%0.83140%0.396SS*.THydrogen-bonded Turntrans-61.6139.3178.525.6-32.4000110.1C312P310-C312 VanDerWaalsContact C-N 3.26Å; P310-C312 PolarHBondContact O-N 3.32Å
311G78.7Confident76.8Confident91 Ų9166.7 Ų66.794%0.93840%0.403SS*.THydrogen-bonded Turntrans79.9-8.7-177.300000115.7
312C83.3Confident77.5Confident24 Ų2465.3 Ų65.316%0.16238%0.384CS..THydrogen-bonded Turntrans-77.7-43.7178.7-177.20000112.9C307 F309 P310 K314 H325 H329C307-C312 HydrophobicContact CB-CB 4.25Å; F309-C312 HydrophobicContact CB-CB 4.14Å; F309-C312 WeakPolarHBondContact O-CB 3.4Å; F309-C312 PolarHBondContact O-N 3.31Å; P310-C312 VanDerWaalsContact C-N 3.26Å; P310-C312 PolarHBondContact O-N 3.32Å; C312-K314 PolarHBondContact O-N 3.36Å; C312-H325 VanDerWaalsContact SG-CE1 3.6Å; C312-H325 PolarHBondContact SG-NE2 3.38Å; C312-H329 PolarHBondContact SG-CE1 2.93Å; C312-H329 PolarHBondContact SG-NE2 3.43Å
313G77.3Confident78.4Confident66 Ų6670.3 Ų70.368%0.6841%0.406SS*.  trans61.5-2.1179.800000116.4
314K78.2Confident79Confident118 Ų11866.2 Ų66.251%0.51339%0.389SS..  trans-76.3136.8-176.3-67.9175-173.5176.10111.4C307 C312 F316C307-K314 WeakPolarHBondContact CB-O 3.05Å; C307-K314 PolarHBondContact N-O 3.06Å; C312-K314 PolarHBondContact O-N 3.36Å; K314-F316 HydrophobicContact CB-CE2 3.73Å; K314-F316 HydrophobicContact CB-CZ 3.89Å; K314-F316 HydrophobicContact CD-CZ 4.49Å
315I79.1Confident79.7Confident85 Ų8566.3 Ų66.344%0.43639%0.389SS..EExtended strand (participates in β ladder)trans-125.7139.2-179.1-39.4-178.6000109.2K303 P306K303-I315 HydrophobicContact CB-CB 3.96Å; K303-I315 HydrophobicContact CB-CG2 3.57Å; K303-I315 WeakPolarHBondContact CD-O 3.41Å; K303-I315 WeakPolarHBondContact O-CG2 3.37Å; P306-I315 HydrophobicContact CB-CG2 4.19Å
316F78.6Confident80.2Confident41 Ų4168.3 Ų68.318%0.1840%0.397CS..EExtended strand (participates in β ladder)trans-121.8146-172.8-60.7-90.2000112.2K303 P304 F305 K314 R318 N321 L322 H325K303-F316 CarbonylContact C-O 3.53Å; K303-F316 WeakPolarHBondContact CA-O 3.34Å; P304-F316 WeakPolarHBondContact CD-O 3.41Å; F305-F316 HydrophobicContact CB-CB 4.23Å; F305-F316 WeakPolarHBondContact CB-O 3.4Å; F305-F316 WeakPolarHBondContact CD2-O 3.48Å; F305-F316 PolarHBondContact N-O 2.91Å; F305-F316 PolarHBondContact O-N 3.48Å; K314-F316 HydrophobicContact CB-CE2 3.73Å; K314-F316 HydrophobicContact CB-CZ 3.89Å; K314-F316 HydrophobicContact CD-CZ 4.49Å; F316-R318 VanDerWaalsContact C-N 3.35Å; F316-N321 HydrophobicContact CB-CB 4.26Å; F316-N321 HydrophobicContact CD1-CB 3.9Å; F316-N321 HydrophobicContact CG-CB 4.36Å; F316-L322 HydrophobicContact CB-CB 4.28Å; F316-L322 HydrophobicContact CD2-CB 4.1Å; F316-L322 HydrophobicContact CD2-CD1 3.96Å; F316-L322 HydrophobicContact CE2-CD1 4.28Å; F316-L322 HydrophobicContact CG-CB 4.34Å; F316-H325 HydrophobicContact CE1-CB 3.86Å; F316-H325 HydrophobicContact CE2-CB 3.74Å; F316-H325 AromaticContact CE2-CD2 3.13Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.2Å; F316-H325 AromaticContact CE2-CG 3.43Å; F316-H325 VanDerWaalsContact CE2-CG 3.43Å; F316-H325 AromaticContact CE2-NE2 3.88Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.34Å; F316-H325 WeakPolarHBondContact CZ-CD2 3.2Å; F316-H325 AromaticContact CZ-CG 3.12Å; F316-H325 AromaticContact CZ-ND1 3.72Å; F316-H325 AromaticContact CZ-NE2 3.99Å
317A73.8Confident80.7Confident32 Ų3266.4 Ų66.426%0.26438%0.38SS..SBendtrans-75.3-21.7175.700000113.7R297 K303 F305R297-A317 PolarHBondContact NH1-O 3.47Å; K303-A317 HydrophobicContact CG-CB 4.35Å; F305-A317 WeakPolarHBondContact CE2-O 2.87Å
318R77.3Confident80.8Confident113 Ų11369.8 Ų69.843%0.42640%0.401SS..SBendtrans-131139.8-176.1-64.4-169.4-76.9112.2-3111.5F305 F316 E320 N321 L322F305-R318 VanDerWaalsContact CE2-C 3.5Å; F316-R318 VanDerWaalsContact C-N 3.35Å; R318-E320 VanDerWaalsContact C-N 3.32Å; R318-E320 PolarHBondContact O-N 3.4Å; R318-N321 HydrophobicContact CB-CB 4.33Å; R318-N321 VanDerWaalsContact CZ-ND2 3.35Å; R318-N321 PolarHBondContact NH1-OD1 3.38Å; R318-N321 PolarHBondContact NH2-ND2 3.16Å; R318-N321 PolarHBondContact NH2-OD1 3.44Å; R318-N321 VanDerWaalsContact NH2-OD1 3.15Å; R318-N321 WeakPolarHBondContact O-CB 3.1Å; R318-N321 PolarHBondContact O-N 3.41Å; R318-N321 VanDerWaalsContact O-N 3.15Å; R318-L322 PolarHBondContact O-N 3.21Å; R318-L322 VanDerWaalsContact O-N 3.13Å
319S75.6Confident81Confident74 Ų7469.1 Ų69.152%0.51739%0.39SS..Hα-helixtrans-62.5-38.617953.30000112.1N321 L322 K323S319-N321 VanDerWaalsContact C-N 3.28Å; S319-N321 PolarHBondContact O-N 2.88Å; S319-L322 WeakPolarHBondContact O-CB 3.43Å; S319-L322 PolarHBondContact O-N 2.81Å; S319-K323 PolarHBondContact O-N 3.4Å
320E80.9Confident81.2Confident91 Ų9169.1 Ų69.143%0.42540%0.396SS..Hα-helixtrans-61.2-39175.5-173.357-151.300111.6R318 K323 I324R318-E320 VanDerWaalsContact C-N 3.32Å; R318-E320 PolarHBondContact O-N 3.4Å; E320-K323 PolarHBondContact O-N 2.86Å; E320-I324 HydrophobicContact CG-CD1 4.11Å; E320-I324 WeakPolarHBondContact O-CG1 3.37Å; E320-I324 PolarHBondContact O-N 3.12Å
321N83.2Confident81.5Confident49 Ų4965.5 Ų65.526%0.26238%0.382SS..Hα-helixtrans-67.9-38.6177-66.7-2.4000111.1F316 R318 S319 H325F316-N321 HydrophobicContact CB-CB 4.26Å; F316-N321 HydrophobicContact CD1-CB 3.9Å; F316-N321 HydrophobicContact CG-CB 4.36Å; R318-N321 HydrophobicContact CB-CB 4.33Å; R318-N321 VanDerWaalsContact CZ-ND2 3.35Å; R318-N321 PolarHBondContact NH1-OD1 3.38Å; R318-N321 PolarHBondContact NH2-ND2 3.16Å; R318-N321 PolarHBondContact NH2-OD1 3.44Å; R318-N321 VanDerWaalsContact NH2-OD1 3.15Å; R318-N321 WeakPolarHBondContact O-CB 3.1Å; R318-N321 PolarHBondContact O-N 3.41Å; R318-N321 VanDerWaalsContact O-N 3.15Å; S319-N321 VanDerWaalsContact C-N 3.28Å; S319-N321 PolarHBondContact O-N 2.88Å; N321-H325 VanDerWaalsContact O-CB 3.23Å; N321-H325 WeakPolarHBondContact O-CB 3.16Å; N321-H325 PolarHBondContact O-N 3.08Å
322L84Confident81.7Confident20 Ų2066.3 Ų66.311%0.10536%0.361CS..Hα-helixtrans-62.3-43.5171.7171.762.6000110.9F305 P306 C307 F316 R318 S319 I324 H325 K326F305-L322 HydrophobicContact CB-CB 3.96Å; F305-L322 HydrophobicContact CB-CD2 3.82Å; F305-L322 HydrophobicContact CB-CG 4.46Å; P306-L322 WeakPolarHBondContact O-CD2 3.42Å; C307-L322 HydrophobicContact CB-CD1 4.17Å; F316-L322 HydrophobicContact CB-CB 4.28Å; F316-L322 HydrophobicContact CD2-CB 4.1Å; F316-L322 HydrophobicContact CD2-CD1 3.96Å; F316-L322 HydrophobicContact CE2-CD1 4.28Å; F316-L322 HydrophobicContact CG-CB 4.34Å; R318-L322 PolarHBondContact O-N 3.21Å; R318-L322 VanDerWaalsContact O-N 3.13Å; S319-L322 WeakPolarHBondContact O-CB 3.43Å; S319-L322 PolarHBondContact O-N 2.81Å; L322-I324 PolarHBondContact O-N 3.48Å; L322-H325 CarbonylContact O-C 3.5Å; L322-H325 WeakPolarHBondContact O-CB 3.41Å; L322-H325 PolarHBondContact O-N 3.29Å; L322-K326 HydrophobicContact CD1-CG 4.21Å; L322-K326 WeakPolarHBondContact O-CG 3.12Å; L322-K326 PolarHBondContact O-N 3.09Å
323K84.6Confident81.8Confident119 Ų11970.6 Ų70.652%0.51738%0.377SS..Hα-helixtrans-60.7-46.6178.5-173.2178-176.91770111.7S319 E320 H325 K326 R327S319-K323 PolarHBondContact O-N 3.4Å; E320-K323 PolarHBondContact O-N 2.86Å; K323-H325 VanDerWaalsContact C-N 3.31Å; K323-H325 PolarHBondContact O-N 3.45Å; K323-K326 PolarHBondContact O-N 3.19Å; K323-R327 PolarHBondContact O-N 2.92Å
324I85.4Confident82.2Confident36 Ų3670.5 Ų70.519%0.18536%0.364CS..Hα-helixtrans-61.9-42174.2-67.7164.3000110.5E320 L322 K326 R327 N348E320-I324 HydrophobicContact CG-CD1 4.11Å; E320-I324 WeakPolarHBondContact O-CG1 3.37Å; E320-I324 PolarHBondContact O-N 3.12Å; L322-I324 PolarHBondContact O-N 3.48Å; I324-K326 PolarHBondContact O-N 2.91Å; I324-R327 VanDerWaalsContact O-CB 3.3Å; I324-R327 WeakPolarHBondContact O-CB 3.48Å; I324-R327 PolarHBondContact O-N 3.17Å; I324-N348 HydrophobicContact CD1-CB 3.91Å; I324-N348 HydrophobicContact CG1-CB 4.06Å; I324-N348 HydrophobicContact CG2-CB 3.79Å
325H85.6Confident82.5Confident14 Ų1467.4 Ų67.47%0.06535%0.351CS..Hα-helixtrans-65.5-36.9177.6171.258.1000112.8C307 C312 F316 N321 L322 K323 R327 T328 H329C307-H325 PolarHBondContact SG-CD2 3.21Å; C307-H325 PolarHBondContact SG-NE2 3.35Å; C312-H325 VanDerWaalsContact SG-CE1 3.6Å; C312-H325 PolarHBondContact SG-NE2 3.38Å; F316-H325 HydrophobicContact CE1-CB 3.86Å; F316-H325 HydrophobicContact CE2-CB 3.74Å; F316-H325 AromaticContact CE2-CD2 3.13Å; F316-H325 WeakPolarHBondContact CE2-CD2 3.2Å; F316-H325 AromaticContact CE2-CG 3.43Å; F316-H325 VanDerWaalsContact CE2-CG 3.43Å; F316-H325 AromaticContact CE2-NE2 3.88Å; F316-H325 HydrophobicContact CZ-CB 3.36Å; F316-H325 AromaticContact CZ-CD2 3.34Å; F316-H325 WeakPolarHBondContact CZ-CD2 3.2Å; F316-H325 AromaticContact CZ-CG 3.12Å; F316-H325 AromaticContact CZ-ND1 3.72Å; F316-H325 AromaticContact CZ-NE2 3.99Å; N321-H325 VanDerWaalsContact O-CB 3.23Å; N321-H325 WeakPolarHBondContact O-CB 3.16Å; N321-H325 PolarHBondContact O-N 3.08Å; L322-H325 CarbonylContact O-C 3.5Å; L322-H325 WeakPolarHBondContact O-CB 3.41Å; L322-H325 PolarHBondContact O-N 3.29Å; K323-H325 VanDerWaalsContact C-N 3.31Å; K323-H325 PolarHBondContact O-N 3.45Å; H325-R327 PolarHBondContact O-N 3.45Å; H325-R327 VanDerWaalsContact O-N 3.16Å; H325-T328 PolarHBondContact CE1-OG1 3.1Å; H325-T328 PolarHBondContact ND1-OG1 3.18Å; H325-T328 WeakPolarHBondContact O-CB 3.38Å; H325-T328 PolarHBondContact O-N 3.2Å; H325-T328 PolarHBondContact O-OG1 2.97Å; H325-H329 AromaticContact CE1-CD2 3.97Å; H325-H329 AromaticContact CE1-NE2 3.27Å; H325-H329 PolarHBondContact CE1-NE2 3.16Å; H325-H329 VanDerWaalsContact CE1-NE2 3.27Å; H325-H329 AromaticContact NE2-CD2 3.74Å; H325-H329 AromaticContact NE2-NE2 3.04Å; H325-H329 PolarHBondContact NE2-NE2 2.95Å
326K85Confident83Confident83 Ų8368.2 Ų68.236%0.36135%0.351SS..Hα-helixtrans-56.5-33.6175.1-74.6-179.6179.5-168.60111.9F309 L322 K323 I324 T328 H329 T330F309-K326 HydrophobicContact CE2-CB 4.25Å; F309-K326 HydrophobicContact CE2-CG 4.13Å; L322-K326 HydrophobicContact CD1-CG 4.21Å; L322-K326 WeakPolarHBondContact O-CG 3.12Å; L322-K326 PolarHBondContact O-N 3.09Å; K323-K326 PolarHBondContact O-N 3.19Å; I324-K326 PolarHBondContact O-N 2.91Å; K326-T328 PolarHBondContact O-N 3.15Å; K326-H329 WeakPolarHBondContact O-CB 3.31Å; K326-H329 PolarHBondContact O-N 3.2Å; K326-T330 PolarHBondContact O-N 3.25Å
327R86.8Confident83.5Confident36 Ų3666.5 Ų66.514%0.13634%0.344CS..Hα-helixtrans-63.7-19.8174.7-61.9178.7176.2143.51.4113.9K323 I324 H325 H329 T330 G331 E332 A347K323-R327 PolarHBondContact O-N 2.92Å; I324-R327 VanDerWaalsContact O-CB 3.3Å; I324-R327 WeakPolarHBondContact O-CB 3.48Å; I324-R327 PolarHBondContact O-N 3.17Å; H325-R327 PolarHBondContact O-N 3.45Å; H325-R327 VanDerWaalsContact O-N 3.16Å; R327-H329 VanDerWaalsContact C-N 3.3Å; R327-T330 WeakPolarHBondContact CA-OG1 3.41Å; R327-G331 CarbonylContact O-C 3.31Å; R327-G331 WeakPolarHBondContact O-CA 3.31Å; R327-G331 PolarHBondContact O-N 2.81Å; R327-E332 HydrophobicContact CB-CB 4.21Å; R327-E332 WeakPolarHBondContact CB-O 3.39Å; R327-E332 HydrophobicContact CG-CB 4.12Å; R327-E332 PolarHBondContact O-N 3.13Å; R327-A347 HydrophobicContact CB-CB 4.07Å; R327-A347 WeakPolarHBondContact CD-O 3.32Å; R327-A347 PolarHBondContact NH1-O 2.93Å
328T84.3Confident84.1Confident86 Ų8671.8 Ų71.853%0.52836%0.363SS..Hα-helixtrans-74.3-24.1173.371.20000112.5H325 K326H325-T328 PolarHBondContact CE1-OG1 3.1Å; H325-T328 PolarHBondContact ND1-OG1 3.18Å; H325-T328 WeakPolarHBondContact O-CB 3.38Å; H325-T328 PolarHBondContact O-N 3.2Å; H325-T328 PolarHBondContact O-OG1 2.97Å; K326-T328 PolarHBondContact O-N 3.15Å
329H83.4Confident84.4Confident73 Ų7371.5 Ų71.534%0.33837%0.365SS..Hα-helixtrans-84.7-39.6175.2-64.5-65.2000111.6C307 F309 C312 H325 K326 R327 G331C307-H329 PolarHBondContact SG-NE2 3.44Å; F309-H329 HydrophobicContact CD1-CB 3.83Å; F309-H329 AromaticContact CD1-CG 3.96Å; F309-H329 HydrophobicContact CD2-CB 3.81Å; F309-H329 AromaticContact CD2-CD2 3.24Å; F309-H329 WeakPolarHBondContact CD2-CD2 3.31Å; F309-H329 AromaticContact CD2-CG 3.59Å; F309-H329 HydrophobicContact CE1-CB 3.66Å; F309-H329 HydrophobicContact CE2-CB 3.62Å; F309-H329 AromaticContact CE2-CD2 3.77Å; F309-H329 AromaticContact CE2-CG 3.92Å; F309-H329 HydrophobicContact CG-CB 3.9Å; F309-H329 AromaticContact CG-CD2 3.6Å; F309-H329 AromaticContact CG-CG 3.6Å; F309-H329 HydrophobicContact CZ-CB 3.55Å; C312-H329 PolarHBondContact SG-CE1 2.93Å; C312-H329 PolarHBondContact SG-NE2 3.43Å; H325-H329 AromaticContact CE1-CD2 3.97Å; H325-H329 AromaticContact CE1-NE2 3.27Å; H325-H329 PolarHBondContact CE1-NE2 3.16Å; H325-H329 VanDerWaalsContact CE1-NE2 3.27Å; H325-H329 AromaticContact NE2-CD2 3.74Å; H325-H329 AromaticContact NE2-NE2 3.04Å; H325-H329 PolarHBondContact NE2-NE2 2.95Å; K326-H329 WeakPolarHBondContact O-CB 3.31Å; K326-H329 PolarHBondContact O-N 3.2Å; R327-H329 VanDerWaalsContact C-N 3.3Å; H329-G331 VanDerWaalsContact C-N 3.35Å
330T83.6Confident84.6Confident73 Ų7375.3 Ų75.345%0.44838%0.38SS..Hα-helixtrans-83.2-12.6178.761.80000113.4F309 K326 R327 E332F309-T330 HydrophobicContact CZ-CG2 4.11Å; K326-T330 PolarHBondContact O-N 3.25Å; R327-T330 WeakPolarHBondContact CA-OG1 3.41Å; T330-E332 PolarHBondContact O-N 3.17Å; T330-E332 WeakPolarHBondContact OG1-CG 3.4Å
331G82.4Confident84.7Confident51 Ų5174.5 Ų74.553%0.52640%0.396SS..  trans73.24.5-17600000114.3R327 H329 K333R327-G331 CarbonylContact O-C 3.31Å; R327-G331 WeakPolarHBondContact O-CA 3.31Å; R327-G331 PolarHBondContact O-N 2.81Å; H329-G331 VanDerWaalsContact C-N 3.35Å; G331-K333 PolarHBondContact O-N 3.19Å
332E83.7Confident84.8Confident108 Ų10872.9 Ų72.951%0.50539%0.389SS..  trans-62.3122.9-178.7-76.1173.4-154.800112R327 T330 P334R327-E332 HydrophobicContact CB-CB 4.21Å; R327-E332 WeakPolarHBondContact CB-O 3.39Å; R327-E332 HydrophobicContact CG-CB 4.12Å; R327-E332 PolarHBondContact O-N 3.13Å; T330-E332 PolarHBondContact O-N 3.17Å; T330-E332 WeakPolarHBondContact OG1-CG 3.4Å; E332-P334 WeakPolarHBondContact O-CD 3.44Å
333K85.8Confident84.9Confident115 Ų11577.8 Ų77.850%0.542%0.415SS..  trans-125.778.2176.1-68.5171.1175.6-176.60110.3G331 F335 R345 F346G331-K333 PolarHBondContact O-N 3.19Å; K333-F335 PolarHBondContact O-N 3.13Å; K333-R345 HydrophobicContact CB-CB 3.61Å; K333-R345 HydrophobicContact CD-CB 4.32Å; K333-R345 WeakPolarHBondContact CD-O 3.34Å; K333-R345 PolarHBondContact O-NE 3.15Å; K333-R345 VanDerWaalsContact O-NE 3.07Å; K333-R345 PolarHBondContact O-NH2 3.43Å; K333-F346 CarbonylContact C-O 3.33Å; K333-F346 VanDerWaalsContact C-O 3.31Å; K333-F346 VanDerWaalsContact CA-O 3.31Å; K333-F346 WeakPolarHBondContact CA-O 3.45Å
334P85.2Confident85Confident63 Ų6379.2 Ų79.241%0.40942%0.417SS..  trans-65.5-27.9-173.5-19.832.5000113E332 K336E332-P334 WeakPolarHBondContact O-CD 3.44Å; P334-K336 PolarHBondContact O-N 3.04Å
335F85.2Confident85.1Confident54 Ų5484.3 Ų84.324%0.23743%0.434CS..EExtended strand (participates in β ladder)trans-93.498.1-170-57.7-80.2000110.5K333 R345 F346 N348 R352K333-F335 PolarHBondContact O-N 3.13Å; F335-R345 CarbonylContact O-C 3.56Å; F335-R345 VanDerWaalsContact O-CA 3.31Å; F335-R345 WeakPolarHBondContact O-CA 3.13Å; F335-F346 HydrophobicContact CB-CB 4.28Å; F335-F346 WeakPolarHBondContact CD2-O 3.24Å; F335-F346 PolarHBondContact N-O 3.37Å; F335-F346 VanDerWaalsContact N-O 3.13Å; F335-F346 PolarHBondContact O-N 2.94Å; F335-N348 VanDerWaalsContact CD2-CA 3.5Å; F335-R352 HydrophobicContact CB-CB 4.21Å
336K88.4Confident85.1Confident101 Ų10185.5 Ų85.544%0.43944%0.439SS..EExtended strand (participates in β ladder)trans-75.2145169.6-163.8-174.8177.9177.90110P334 D343 R345 R352P334-K336 PolarHBondContact O-N 3.04Å; K336-D343 WeakPolarHBondContact CE-OD1 3.48Å; K336-D343 IonicContact NZ-OD1 2.77Å; K336-D343 PolarHBondContact NZ-OD1 3.26Å; K336-R345 HydrophobicContact CB-CG 4.37Å; K336-R345 HydrophobicContact CG-CG 4.2Å; K336-R352 WeakPolarHBondContact O-CD 3.14Å
337C89.1Confident85.2Confident6 Ų682.6 Ų82.64%0.04143%0.43CS..  trans-53.6137.5162.6179.70000110.2F339 C342 R344 M356C337-F339 VanDerWaalsContact SG-CB 3.56Å; C337-F339 PolarHBondContact SG-N 3.48Å; C337-F339 VanDerWaalsContact SG-N 3.37Å; C337-C342 HydrophobicContact CB-CB 4.16Å; C337-C342 VanDerWaalsContact SG-CB 3.56Å; C337-R344 WeakPolarHBondContact CB-O 3.5Å; C337-R344 PolarHBondContact N-O 3.45Å; C337-M356 HydrophobicContact CB-CE 3.92Å; C337-M356 WeakPolarHBondContact SG-CE 3.37Å
338E86.1Confident85.2Confident142 Ų14281.9 Ų81.966%0.66443%0.429SS*.  trans-91.8-9.8-179.8-71.1166-169.100111.9R352E338-R352 IonicContact OE1-CZ 2.82Å; E338-R352 IonicContact OE1-NH1 2.71Å; E338-R352 PolarHBondContact OE1-NH1 3.25Å; E338-R352 IonicContact OE1-NH2 3.02Å; E338-R352 PolarHBondContact OE1-NH2 3.48Å
339F84.3Confident85.2Confident107 Ų10780.6 Ų80.647%0.46942%0.424SS..SBendtrans-72.7128.1174.6-171.1-96.3000111.1C337 C342 H359C337-F339 VanDerWaalsContact SG-CB 3.56Å; C337-F339 PolarHBondContact SG-N 3.48Å; C337-F339 VanDerWaalsContact SG-N 3.37Å; F339-C342 HydrophobicContact CB-CB 4.33Å; F339-C342 HydrophobicContact CD1-CB 4.19Å; F339-C342 PolarHBondContact O-N 3.27Å; F339-C342 VanDerWaalsContact O-N 3.12Å; F339-H359 HydrophobicContact CB-CB 4.29Å; F339-H359 HydrophobicContact CD1-CB 4.36Å; F339-H359 AromaticContact CD1-CE1 3.54Å; F339-H359 AromaticContact CD1-CG 3.72Å; F339-H359 AromaticContact CD1-ND1 3.18Å; F339-H359 WeakPolarHBondContact CD1-ND1 3.46Å; F339-H359 HydrophobicContact CD2-CB 3.6Å; F339-H359 AromaticContact CD2-CG 3.79Å; F339-H359 AromaticContact CE1-ND1 3.56Å; F339-H359 HydrophobicContact CE2-CB 3.94Å; F339-H359 HydrophobicContact CG-CB 3.83Å; F339-H359 AromaticContact CG-CD2 3.93Å; F339-H359 AromaticContact CG-CE1 3.92Å; F339-H359 AromaticContact CG-CG 3.44Å; F339-H359 VanDerWaalsContact CG-CG 3.44Å; F339-H359 AromaticContact CG-ND1 3.44Å; F339-H359 WeakPolarHBondContact CG-ND1 3.34Å; F339-H359 HydrophobicContact CZ-CB 4.45Å
340D80.2Confident85.3Confident154 Ų15480.7 Ų80.782%0.82443%0.433SS*.THydrogen-bonded Turntrans-66136.9-179.9-165.924.6000111.2C342D340-C342 VanDerWaalsContact C-N 3.31Å; D340-C342 PolarHBondContact O-N 3.26Å
341G81.6Confident85.4Confident74 Ų7480.1 Ų80.176%0.76343%0.427SS*.THydrogen-bonded Turntrans77.45.4-170.200000115.7
342C86.2Confident85.6Confident16 Ų1680.4 Ų80.411%0.10841%0.412CS..  trans-113.8113.6170.9-170.20000113C337 F339 D340 R344C337-C342 HydrophobicContact CB-CB 4.16Å; C337-C342 VanDerWaalsContact SG-CB 3.56Å; F339-C342 HydrophobicContact CB-CB 4.33Å; F339-C342 HydrophobicContact CD1-CB 4.19Å; F339-C342 PolarHBondContact O-N 3.27Å; F339-C342 VanDerWaalsContact O-N 3.12Å; D340-C342 VanDerWaalsContact C-N 3.31Å; D340-C342 PolarHBondContact O-N 3.26Å; C342-R344 PolarHBondContact O-N 3.47Å
343D87Confident85.7Confident123 Ų12382.5 Ų82.566%0.65842%0.42SS*.  trans-92.813.8179.5-70.6-46.4000114.8K336 R345K336-D343 WeakPolarHBondContact CE-OD1 3.48Å; K336-D343 IonicContact NZ-OD1 2.77Å; K336-D343 PolarHBondContact NZ-OD1 3.26Å; D343-R345 PolarHBondContact O-N 3.36Å
344R85.1Confident85.4Confident148 Ų14882 Ų8256%0.55842%0.418SS*.  trans-67132.6179-79.4179.8169.3167.12.8111.4C337 C342 F346 H355C337-R344 WeakPolarHBondContact CB-O 3.5Å; C337-R344 PolarHBondContact N-O 3.45Å; C342-R344 PolarHBondContact O-N 3.47Å; R344-F346 HydrophobicContact CB-CE2 3.86Å; R344-F346 HydrophobicContact CB-CZ 4Å; R344-H355 VanDerWaalsContact CD-CE1 3.44Å; R344-H355 WeakPolarHBondContact CD-CE1 2.99Å; R344-H355 WeakPolarHBondContact CD-NE2 3.39Å; R344-H355 PolarHBondContact NH1-CE1 3.45Å
345R88.7Confident85.4Confident144 Ų14479.8 Ų79.854%0.54340%0.401SS..EExtended strand (participates in β ladder)trans-119.9145.8176.9-53.6-177.275.9-178.47111.2K333 F335 K336 D343K333-R345 HydrophobicContact CB-CB 3.61Å; K333-R345 HydrophobicContact CD-CB 4.32Å; K333-R345 WeakPolarHBondContact CD-O 3.34Å; K333-R345 PolarHBondContact O-NE 3.15Å; K333-R345 VanDerWaalsContact O-NE 3.07Å; K333-R345 PolarHBondContact O-NH2 3.43Å; F335-R345 CarbonylContact O-C 3.56Å; F335-R345 VanDerWaalsContact O-CA 3.31Å; F335-R345 WeakPolarHBondContact O-CA 3.13Å; K336-R345 HydrophobicContact CB-CG 4.37Å; K336-R345 HydrophobicContact CG-CG 4.2Å; D343-R345 PolarHBondContact O-N 3.36Å
346F85.8Confident85.3Confident39 Ų3979 Ų7917%0.17140%0.399CS..EExtended strand (participates in β ladder)trans-126.2148.3-174.9-58.8-90.4000111.2K333 F335 R344 N348 D351 R352 H355K333-F346 CarbonylContact C-O 3.33Å; K333-F346 VanDerWaalsContact C-O 3.31Å; K333-F346 VanDerWaalsContact CA-O 3.31Å; K333-F346 WeakPolarHBondContact CA-O 3.45Å; F335-F346 HydrophobicContact CB-CB 4.28Å; F335-F346 WeakPolarHBondContact CD2-O 3.24Å; F335-F346 PolarHBondContact N-O 3.37Å; F335-F346 VanDerWaalsContact N-O 3.13Å; F335-F346 PolarHBondContact O-N 2.94Å; R344-F346 HydrophobicContact CB-CE2 3.86Å; R344-F346 HydrophobicContact CB-CZ 4Å; F346-N348 VanDerWaalsContact C-N 3.29Å; F346-N348 WeakPolarHBondContact CB-O 3.24Å; F346-D351 HydrophobicContact CD1-CB 4.01Å; F346-R352 HydrophobicContact CB-CB 4.13Å; F346-R352 HydrophobicContact CD2-CB 3.67Å; F346-R352 HydrophobicContact CD2-CG 3.95Å; F346-R352 HydrophobicContact CE2-CB 4.43Å; F346-R352 HydrophobicContact CE2-CG 4.43Å; F346-R352 HydrophobicContact CG-CB 3.99Å; F346-H355 HydrophobicContact CE1-CB 3.88Å; F346-H355 HydrophobicContact CE2-CB 3.93Å; F346-H355 AromaticContact CE2-CD2 3.3Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.48Å; F346-H355 AromaticContact CE2-CG 3.8Å; F346-H355 HydrophobicContact CZ-CB 3.37Å; F346-H355 AromaticContact CZ-CD2 3.21Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.38Å; F346-H355 AromaticContact CZ-CG 3.26Å
347A85.6Confident84.8Confident21 Ų2177.2 Ų77.217%0.17439%0.392CS..SBendtrans-77-16.2175.300000112.8R327R327-A347 HydrophobicContact CB-CB 4.07Å; R327-A347 WeakPolarHBondContact CD-O 3.32Å; R327-A347 PolarHBondContact NH1-O 2.93Å
348N86.7Confident84.3Confident22 Ų2281.2 Ų81.212%0.11842%0.416CS..SBendtrans-140155.9176.468.557.2000111.9I324 F335 F346 S350 D351 R352I324-N348 HydrophobicContact CD1-CB 3.91Å; I324-N348 HydrophobicContact CG1-CB 4.06Å; I324-N348 HydrophobicContact CG2-CB 3.79Å; F335-N348 VanDerWaalsContact CD2-CA 3.5Å; F346-N348 VanDerWaalsContact C-N 3.29Å; F346-N348 WeakPolarHBondContact CB-O 3.24Å; N348-S350 PolarHBondContact OD1-N 3.22Å; N348-D351 PolarHBondContact ND2-OD2 2.82Å; N348-D351 WeakPolarHBondContact OD1-CA 3.39Å; N348-D351 WeakPolarHBondContact OD1-CB 3.09Å; N348-D351 PolarHBondContact OD1-N 3.1Å; N348-D351 PolarHBondContact OD1-OD2 2.69Å; N348-R352 PolarHBondContact O-N 3.2Å
349S84.6Confident84Confident59 Ų5976.8 Ų76.841%0.41340%0.396SS..Hα-helixtrans-72.1-31.2-178.457.30000112.9R352 K353S349-R352 PolarHBondContact O-N 2.87Å; S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 PolarHBondContact O-N 3.34Å
350S85.5Confident83.3Confident75 Ų7575 Ų7552%0.52439%0.393SS..Hα-helixtrans-65.5-40.8-179.7-56.50000112.2N348 K353 K354N348-S350 PolarHBondContact OD1-N 3.22Å; S350-K353 PolarHBondContact O-N 2.75Å; S350-K354 WeakPolarHBondContact O-CG 3.33Å; S350-K354 PolarHBondContact O-N 3.23Å
351D85.7Confident82.5Confident61 Ų6172.5 Ų72.533%0.32639%0.388SS..Hα-helixtrans-75-35178.8-65.9-20.2000111F346 N348 K353 K354 H355F346-D351 HydrophobicContact CD1-CB 4.01Å; N348-D351 PolarHBondContact ND2-OD2 2.82Å; N348-D351 WeakPolarHBondContact OD1-CA 3.39Å; N348-D351 WeakPolarHBondContact OD1-CB 3.09Å; N348-D351 PolarHBondContact OD1-N 3.1Å; N348-D351 PolarHBondContact OD1-OD2 2.69Å; D351-K353 VanDerWaalsContact C-N 3.34Å; D351-K354 PolarHBondContact O-N 3.5Å; D351-K354 IonicContact OD1-NZ 3.75Å; D351-K354 PolarHBondContact OD1-NZ 3.01Å; D351-H355 WeakPolarHBondContact O-CB 3.23Å; D351-H355 PolarHBondContact O-N 2.76Å
352R87.6Confident81.7Confident57 Ų5774.1 Ų74.122%0.21538%0.379CS..Hα-helixtrans-56.7-49.5165.8-176.8-166.464.4169.318.9110.7F335 K336 E338 F346 N348 S349 K354 H355 M356F335-R352 HydrophobicContact CB-CB 4.21Å; K336-R352 WeakPolarHBondContact O-CD 3.14Å; E338-R352 IonicContact OE1-CZ 2.82Å; E338-R352 IonicContact OE1-NH1 2.71Å; E338-R352 PolarHBondContact OE1-NH1 3.25Å; E338-R352 IonicContact OE1-NH2 3.02Å; E338-R352 PolarHBondContact OE1-NH2 3.48Å; F346-R352 HydrophobicContact CB-CB 4.13Å; F346-R352 HydrophobicContact CD2-CB 3.67Å; F346-R352 HydrophobicContact CD2-CG 3.95Å; F346-R352 HydrophobicContact CE2-CB 4.43Å; F346-R352 HydrophobicContact CE2-CG 4.43Å; F346-R352 HydrophobicContact CG-CB 3.99Å; N348-R352 PolarHBondContact O-N 3.2Å; S349-R352 PolarHBondContact O-N 2.87Å; R352-K354 VanDerWaalsContact C-N 3.33Å; R352-K354 PolarHBondContact O-N 2.92Å; R352-H355 WeakPolarHBondContact O-CA 3.3Å; R352-H355 WeakPolarHBondContact O-CB 3.41Å; R352-H355 PolarHBondContact O-N 3.21Å; R352-M356 HydrophobicContact CG-CE 4.29Å; R352-M356 WeakPolarHBondContact O-CG 3.48Å; R352-M356 PolarHBondContact O-N 2.87Å
353K84.6Confident80.8Confident151 Ų15178.6 Ų78.666%0.65740%0.397SS*.Hα-helixtrans-59.8-43.3179.2-172.1174-177.41740111.5S349 S350 D351 H355 M356 H357S349-K353 WeakPolarHBondContact O-CB 3.43Å; S349-K353 PolarHBondContact O-N 3.34Å; S350-K353 PolarHBondContact O-N 2.75Å; D351-K353 VanDerWaalsContact C-N 3.34Å; K353-H355 VanDerWaalsContact C-N 3.27Å; K353-H355 PolarHBondContact O-N 3.17Å; K353-M356 WeakPolarHBondContact O-CB 3.31Å; K353-M356 PolarHBondContact O-N 3.5Å; K353-H357 PolarHBondContact O-CD2 3.5Å
354K81.4Confident80.2Confident106 Ų10677 Ų7746%0.46139%0.393SS..Hα-helixtrans-60.4-38.1174.2-70.4173.3-160.9156.40112.5S350 D351 R352 M356 H357 H376S350-K354 WeakPolarHBondContact O-CG 3.33Å; S350-K354 PolarHBondContact O-N 3.23Å; D351-K354 PolarHBondContact O-N 3.5Å; D351-K354 IonicContact OD1-NZ 3.75Å; D351-K354 PolarHBondContact OD1-NZ 3.01Å; R352-K354 VanDerWaalsContact C-N 3.33Å; R352-K354 PolarHBondContact O-N 2.92Å; K354-M356 VanDerWaalsContact C-N 3.31Å; K354-H357 PolarHBondContact O-CD2 3.39Å; K354-H376 PolarHBondContact O-NE2 3.23Å; K354-H376 VanDerWaalsContact O-NE2 3.16Å
355H84.9Confident79.8Confident15 Ų1574.3 Ų74.37%0.06938%0.384CS..Hα-helixtrans-68.2-28.4177.8172.750.6000112.9R344 F346 D351 R352 K353 H357 V358 H359R344-H355 VanDerWaalsContact CD-CE1 3.44Å; R344-H355 WeakPolarHBondContact CD-CE1 2.99Å; R344-H355 WeakPolarHBondContact CD-NE2 3.39Å; R344-H355 PolarHBondContact NH1-CE1 3.45Å; F346-H355 HydrophobicContact CE1-CB 3.88Å; F346-H355 HydrophobicContact CE2-CB 3.93Å; F346-H355 AromaticContact CE2-CD2 3.3Å; F346-H355 WeakPolarHBondContact CE2-CD2 3.48Å; F346-H355 AromaticContact CE2-CG 3.8Å; F346-H355 HydrophobicContact CZ-CB 3.37Å; F346-H355 AromaticContact CZ-CD2 3.21Å; F346-H355 WeakPolarHBondContact CZ-CD2 3.38Å; F346-H355 AromaticContact CZ-CG 3.26Å; D351-H355 WeakPolarHBondContact O-CB 3.23Å; D351-H355 PolarHBondContact O-N 2.76Å; R352-H355 WeakPolarHBondContact O-CA 3.3Å; R352-H355 WeakPolarHBondContact O-CB 3.41Å; R352-H355 PolarHBondContact O-N 3.21Å; K353-H355 VanDerWaalsContact C-N 3.27Å; K353-H355 PolarHBondContact O-N 3.17Å; H355-H357 PolarHBondContact O-N 3.16Å; H355-H357 VanDerWaalsContact O-N 3.14Å; H355-V358 VanDerWaalsContact O-CB 3.27Å; H355-V358 WeakPolarHBondContact O-CB 3.38Å; H355-V358 WeakPolarHBondContact O-CG2 3.49Å; H355-V358 PolarHBondContact O-N 3.19Å; H355-H359 AromaticContact CE1-NE2 3.58Å; H355-H359 AromaticContact NE2-NE2 3.36Å; H355-H359 PolarHBondContact NE2-NE2 2.86Å
356M81.6Confident79.4Confident38 Ų3872.1 Ų72.119%0.18738%0.381CS..Hα-helixtrans-59.4-28.9178.8-63.9-55.78300112.5C337 R352 K353 K354 V358 H359 T360C337-M356 HydrophobicContact CB-CE 3.92Å; C337-M356 WeakPolarHBondContact SG-CE 3.37Å; R352-M356 HydrophobicContact CG-CE 4.29Å; R352-M356 WeakPolarHBondContact O-CG 3.48Å; R352-M356 PolarHBondContact O-N 2.87Å; K353-M356 WeakPolarHBondContact O-CB 3.31Å; K353-M356 PolarHBondContact O-N 3.5Å; K354-M356 VanDerWaalsContact C-N 3.31Å; M356-V358 PolarHBondContact O-N 3.32Å; M356-V358 VanDerWaalsContact O-N 3.08Å; M356-H359 PolarHBondContact O-N 2.8Å; M356-T360 PolarHBondContact O-N 3.25Å; M356-T360 PolarHBondContact O-OG1 3.05Å
357H78.1Confident79.4Confident64 Ų6470.2 Ų70.230%0.29637%0.373SS..THydrogen-bonded Turntrans-66.8-4.1173.1-57.2-73.4000114.7K353 K354 H355 T360 H376K353-H357 PolarHBondContact O-CD2 3.5Å; K354-H357 PolarHBondContact O-CD2 3.39Å; H355-H357 PolarHBondContact O-N 3.16Å; H355-H357 VanDerWaalsContact O-N 3.14Å; H357-T360 CarbonylContact C-O 3.53Å; H357-H376 AromaticContact CD2-CE1 3.32Å; H357-H376 PolarHBondContact CD2-CE1 3.44Å; H357-H376 AromaticContact CD2-NE2 3.36Å; H357-H376 PolarHBondContact CD2-NE2 2.7Å; H357-H376 AromaticContact CG-NE2 3.98Å; H357-H376 AromaticContact NE2-CE1 3.79Å
358V79.7Confident79.2Confident90 Ų9077.6 Ų77.655%0.54540%0.401SS..THydrogen-bonded Turntrans-80.6-30.3168.4179.80000110.6H355 M356H355-V358 VanDerWaalsContact O-CB 3.27Å; H355-V358 WeakPolarHBondContact O-CB 3.38Å; H355-V358 WeakPolarHBondContact O-CG2 3.49Å; H355-V358 PolarHBondContact O-N 3.19Å; M356-V358 PolarHBondContact O-N 3.32Å; M356-V358 VanDerWaalsContact O-N 3.08Å
359H78.8Confident79.1Confident49 Ų4980.7 Ų80.723%0.22742%0.421CS..THydrogen-bonded Turntrans-86.4-38.4177.9-60.7-66.5000111.4F339 H355 M356 S361F339-H359 HydrophobicContact CB-CB 4.29Å; F339-H359 HydrophobicContact CD1-CB 4.36Å; F339-H359 AromaticContact CD1-CE1 3.54Å; F339-H359 AromaticContact CD1-CG 3.72Å; F339-H359 AromaticContact CD1-ND1 3.18Å; F339-H359 WeakPolarHBondContact CD1-ND1 3.46Å; F339-H359 HydrophobicContact CD2-CB 3.6Å; F339-H359 AromaticContact CD2-CG 3.79Å; F339-H359 AromaticContact CE1-ND1 3.56Å; F339-H359 HydrophobicContact CE2-CB 3.94Å; F339-H359 HydrophobicContact CG-CB 3.83Å; F339-H359 AromaticContact CG-CD2 3.93Å; F339-H359 AromaticContact CG-CE1 3.92Å; F339-H359 AromaticContact CG-CG 3.44Å; F339-H359 VanDerWaalsContact CG-CG 3.44Å; F339-H359 AromaticContact CG-ND1 3.44Å; F339-H359 WeakPolarHBondContact CG-ND1 3.34Å; F339-H359 HydrophobicContact CZ-CB 4.45Å; H355-H359 AromaticContact CE1-NE2 3.58Å; H355-H359 AromaticContact NE2-NE2 3.36Å; H355-H359 PolarHBondContact NE2-NE2 2.86Å; M356-H359 PolarHBondContact O-N 2.8Å; H359-S361 PolarHBondContact O-N 3.17Å
360T70.9Confident79.3Confident68 Ų6880 Ų8042%0.41742%0.416SS..SBendtrans-80.692.6169.3-36.70000106.9M356 H357 D362M356-T360 PolarHBondContact O-N 3.25Å; M356-T360 PolarHBondContact O-OG1 3.05Å; H357-T360 CarbonylContact C-O 3.53Å; T360-D362 HydrophobicContact CG2-CB 4.1Å; T360-D362 VanDerWaalsContact CG2-OD2 3.3Å; T360-D362 WeakPolarHBondContact CG2-OD2 3.48Å; T360-D362 PolarHBondContact O-N 3.27Å
361S62.7Low79Confident103 Ų10382.4 Ų82.472%0.7242%0.422SS*.  trans-58.37.9178.2-63.90000115H359 K363H359-S361 PolarHBondContact O-N 3.17Å; S361-K363 PolarHBondContact O-N 3.16Å
362D65.6Low78.7Confident107 Ų10785.2 Ų85.257%0.57243%0.432SS*.  trans-66.6111.7173.2-64.1-18.5000109.3T360 P364T360-D362 HydrophobicContact CG2-CB 4.1Å; T360-D362 VanDerWaalsContact CG2-OD2 3.3Å; T360-D362 WeakPolarHBondContact CG2-OD2 3.48Å; T360-D362 PolarHBondContact O-N 3.27Å; D362-P364 WeakPolarHBondContact O-CD 3.09Å
363K67.3Low78.2Confident111 Ų11184.9 Ų84.948%0.48344%0.438SS..  trans-104.871.1169.2-64173.2-179.6-178.50108.6S361 Y365 S373 Y374 T375S361-K363 PolarHBondContact O-N 3.16Å; K363-Y365 PolarHBondContact O-N 3.36Å; K363-Y365 VanDerWaalsContact O-N 3.1Å; K363-S373 WeakPolarHBondContact CD-OG 3.34Å; K363-Y374 CarbonylContact C-O 3.59Å; K363-Y374 VanDerWaalsContact CA-O 3.31Å; K363-Y374 WeakPolarHBondContact CA-O 3.45Å; K363-T375 HydrophobicContact CG-CG2 3.8Å
364P73.8Confident77.9Confident88 Ų8880 Ų8057%0.57142%0.416SS*.  trans-69.2-10.5-172.929.6-36.4000112.9D362D362-P364 WeakPolarHBondContact O-CD 3.09Å
365Y77.3Confident77.6Confident93 Ų9377 Ų7737%0.36541%0.407SS..EExtended strand (participates in β ladder)trans-101.995.3-176.3-55.2-74.1000110.9K363 S373 Y374 P377K363-Y365 PolarHBondContact O-N 3.36Å; K363-Y365 VanDerWaalsContact O-N 3.1Å; Y365-S373 CarbonylContact O-C 3.54Å; Y365-Y374 WeakPolarHBondContact CB-O 3.49Å; Y365-Y374 PolarHBondContact N-O 3.38Å; Y365-Y374 PolarHBondContact O-N 3.41Å; Y365-P377 HydrophobicContact CD1-CB 4.03Å; Y365-P377 HydrophobicContact CE1-CB 3.92Å; Y365-P377 HydrophobicContact CE1-CG 4.26Å; Y365-P377 HydrophobicContact CE2-CG 4.41Å; Y365-P377 HydrophobicContact CG-CB 4.43Å
366I79.3Confident77.2Confident97 Ų9778 Ų7850%0.49741%0.411SS..EExtended strand (participates in β ladder)trans-96134.8-178.2-53.7173.9000110.1
367C85.8Confident77Confident0 Ų078.8 Ų78.80%042%0.419CS..  trans-73.1122.3169.9-179.90000110.1V369 D371 K372 Y374 L380 H383C367-V369 PolarHBondContact O-N 3.48Å; C367-V369 PolarHBondContact SG-N 3.17Å; C367-V369 VanDerWaalsContact SG-N 3.43Å; C367-D371 WeakPolarHBondContact O-CA 3.19Å; C367-D371 PolarHBondContact O-N 3.35Å; C367-K372 HydrophobicContact CB-CB 4.45Å; C367-K372 WeakPolarHBondContact CB-O 3.42Å; C367-K372 PolarHBondContact N-O 3.36Å; C367-Y374 HydrophobicContact CB-CE2 4.23Å; C367-L380 HydrophobicContact CB-CD1 3.7Å; C367-H383 WeakPolarHBondContact CB-NE2 3.48Å; C367-H383 VanDerWaalsContact SG-CD2 3.55Å; C367-H383 PolarHBondContact SG-NE2 3.32Å
368K82.2Confident77.2Confident175 Ų17578.4 Ų78.476%0.76142%0.424SS*.THydrogen-bonded Turntrans-72.6-9179.3-61-175.9178.8-178.20114.3
369V84.4Confident77.3Confident88 Ų8876.3 Ų76.353%0.53341%0.413SS..THydrogen-bonded Turntrans-99.1-31.4-175.4-174.50000112.1C367 M384 H387C367-V369 PolarHBondContact O-N 3.48Å; C367-V369 PolarHBondContact SG-N 3.17Å; C367-V369 VanDerWaalsContact SG-N 3.43Å; V369-M384 HydrophobicContact CG2-CE 4.04Å; V369-H387 HydrophobicContact CG1-CB 4.34Å; V369-H387 VanDerWaalsContact CG1-ND1 3.33Å; V369-H387 WeakPolarHBondContact CG1-ND1 3.35Å
370C87.3Confident77.6Confident44 Ų4475.6 Ų75.630%0.29741%0.411SS..THydrogen-bonded Turntrans-140.617.3-179.776.20000113.9K372 H383 H387C370-K372 PolarHBondContact O-N 3.38Å; C370-K372 VanDerWaalsContact SG-CD 3.55Å; C370-K372 VanDerWaalsContact SG-CG 3.52Å; C370-H383 PolarHBondContact SG-CE1 3.38Å; C370-H383 PolarHBondContact SG-NE2 3.07Å; C370-H387 PolarHBondContact SG-NE2 2.9Å; C370-H387 VanDerWaalsContact SG-NE2 3.38Å
371D80Confident78.3Confident125 Ų12580.2 Ų80.267%0.66842%0.42SS*.  trans5415.2176.9-58.7-37.3000116.1C367 S373C367-D371 WeakPolarHBondContact O-CA 3.19Å; C367-D371 PolarHBondContact O-N 3.35Å; D371-S373 PolarHBondContact O-N 2.92Å
372K79.1Confident79.4Confident121 Ų12182.8 Ų82.853%0.52642%0.419SS..  trans-70.2125.4176.2-75.1178.1-170.4178.40109.6C367 C370 Y374C367-K372 HydrophobicContact CB-CB 4.45Å; C367-K372 WeakPolarHBondContact CB-O 3.42Å; C367-K372 PolarHBondContact N-O 3.36Å; C370-K372 PolarHBondContact O-N 3.38Å; C370-K372 VanDerWaalsContact SG-CD 3.55Å; C370-K372 VanDerWaalsContact SG-CG 3.52Å; K372-Y374 HydrophobicContact CB-CE2 3.77Å; K372-Y374 VanDerWaalsContact O-CD2 3.31Å; K372-Y374 WeakPolarHBondContact O-CD2 3.3Å; K372-Y374 WeakPolarHBondContact O-CE2 3.27Å
373S78.6Confident80.3Confident50 Ų5078.7 Ų78.735%0.3540%0.396SS..EExtended strand (participates in β ladder)trans-95.5138.6-179.862.20000111.7K363 Y365 D371K363-S373 WeakPolarHBondContact CD-OG 3.34Å; Y365-S373 CarbonylContact O-C 3.54Å; D371-S373 PolarHBondContact O-N 2.92Å
374Y78.1Confident81.1Confident49 Ų4976.9 Ų76.919%0.19239%0.39CS..EExtended strand (participates in β ladder)trans-125.7147.1-176.1-62.5-85000110.5K363 Y365 C367 K372 H376 L380 H383K363-Y374 CarbonylContact C-O 3.59Å; K363-Y374 VanDerWaalsContact CA-O 3.31Å; K363-Y374 WeakPolarHBondContact CA-O 3.45Å; Y365-Y374 WeakPolarHBondContact CB-O 3.49Å; Y365-Y374 PolarHBondContact N-O 3.38Å; Y365-Y374 PolarHBondContact O-N 3.41Å; C367-Y374 HydrophobicContact CB-CE2 4.23Å; K372-Y374 HydrophobicContact CB-CE2 3.77Å; K372-Y374 VanDerWaalsContact O-CD2 3.31Å; K372-Y374 WeakPolarHBondContact O-CD2 3.3Å; K372-Y374 WeakPolarHBondContact O-CE2 3.27Å; Y374-H376 VanDerWaalsContact C-N 3.34Å; Y374-L380 HydrophobicContact CD2-CB 3.95Å; Y374-L380 HydrophobicContact CD2-CD1 3.8Å; Y374-L380 HydrophobicContact CD2-CG 4.48Å; Y374-L380 HydrophobicContact CE2-CD1 4.01Å; Y374-L380 HydrophobicContact CG-CB 4.25Å; Y374-H383 HydrophobicContact CE1-CB 4.11Å; Y374-H383 HydrophobicContact CE2-CB 4.02Å; Y374-H383 AromaticContact CE2-CD2 3.37Å; Y374-H383 WeakPolarHBondContact CE2-CD2 3.31Å; Y374-H383 AromaticContact CE2-CG 3.8Å; Y374-H383 AromaticContact CZ-CD2 3.52Å; Y374-H383 AromaticContact CZ-CG 3.45Å; Y374-H383 VanDerWaalsContact CZ-CG 3.45Å; Y374-H383 WeakPolarHBondContact OH-CB 3.48Å; Y374-H383 PolarHBondContact OH-CD2 3.3Å; Y374-H383 PolarHBondContact OH-CE1 2.94Å; Y374-H383 PolarHBondContact OH-ND1 3.05Å; Y374-H383 VanDerWaalsContact OH-ND1 3.11Å; Y374-H383 PolarHBondContact OH-NE2 3.08Å
375T75.4Confident81.6Confident42 Ų4279.1 Ų79.126%0.25839%0.391SS..SBendtrans-80.1-16.6175.253.30000113K363K363-T375 HydrophobicContact CG-CG2 3.8Å
376H75.1Confident81.9Confident36 Ų3678.2 Ų78.217%0.16740%0.395CS..SBendtrans-135.7141.7-177.5-81.2-76.1000112.5K354 H357 Y374 S378 S379 L380K354-H376 PolarHBondContact O-NE2 3.23Å; K354-H376 VanDerWaalsContact O-NE2 3.16Å; H357-H376 AromaticContact CD2-CE1 3.32Å; H357-H376 PolarHBondContact CD2-CE1 3.44Å; H357-H376 AromaticContact CD2-NE2 3.36Å; H357-H376 PolarHBondContact CD2-NE2 2.7Å; H357-H376 AromaticContact CG-NE2 3.98Å; H357-H376 AromaticContact NE2-CE1 3.79Å; Y374-H376 VanDerWaalsContact C-N 3.34Å; H376-S378 PolarHBondContact O-N 3.32Å; H376-S379 WeakPolarHBondContact O-CB 3.14Å; H376-S379 PolarHBondContact O-N 3.34Å; H376-S379 VanDerWaalsContact O-N 3.08Å; H376-L380 PolarHBondContact O-N 2.89Å; H376-L380 VanDerWaalsContact O-N 3.17Å
377P77.6Confident82Confident54 Ų5475.8 Ų75.835%0.35138%0.381SS..Hα-helixtrans-67.9-27.217927.1-32.4000112Y365 S379 R381Y365-P377 HydrophobicContact CD1-CB 4.03Å; Y365-P377 HydrophobicContact CE1-CB 3.92Å; Y365-P377 HydrophobicContact CE1-CG 4.26Å; Y365-P377 HydrophobicContact CE2-CG 4.41Å; Y365-P377 HydrophobicContact CG-CB 4.43Å; P377-S379 VanDerWaalsContact C-N 3.33Å; P377-R381 WeakPolarHBondContact O-CB 3.21Å; P377-R381 PolarHBondContact O-N 2.91Å
378S82.1Confident81.5Confident57 Ų5783.5 Ų83.540%0.39942%0.418SS..Hα-helixtrans-68.8-32.1174.165.80000112.8H376 K382H376-S378 PolarHBondContact O-N 3.32Å; S378-K382 WeakPolarHBondContact O-CG 3.44Å; S378-K382 PolarHBondContact O-N 3.28Å; S378-K382 VanDerWaalsContact O-N 3.09Å
379S83.1Confident80.7Confident46 Ų4679.3 Ų79.332%0.32241%0.41SS..Hα-helixtrans-71.9-44175.3-56.50000110.7H376 P377 R381 K382 H383H376-S379 WeakPolarHBondContact O-CB 3.14Å; H376-S379 PolarHBondContact O-N 3.34Å; H376-S379 VanDerWaalsContact O-N 3.08Å; P377-S379 VanDerWaalsContact C-N 3.33Å; S379-R381 PolarHBondContact O-N 3.27Å; S379-K382 PolarHBondContact O-N 2.76Å; S379-H383 WeakPolarHBondContact O-CB 2.99Å; S379-H383 PolarHBondContact O-N 3.24Å
380L84.9Confident79.5Confident33 Ų3380.8 Ų80.817%0.17341%0.411CS..Hα-helixtrans-56.8-49.1171.1175.161000110.7C367 Y374 H376 K382 H383 M384C367-L380 HydrophobicContact CB-CD1 3.7Å; Y374-L380 HydrophobicContact CD2-CB 3.95Å; Y374-L380 HydrophobicContact CD2-CD1 3.8Å; Y374-L380 HydrophobicContact CD2-CG 4.48Å; Y374-L380 HydrophobicContact CE2-CD1 4.01Å; Y374-L380 HydrophobicContact CG-CB 4.25Å; H376-L380 PolarHBondContact O-N 2.89Å; H376-L380 VanDerWaalsContact O-N 3.17Å; L380-K382 VanDerWaalsContact C-N 3.33Å; L380-K382 PolarHBondContact O-N 2.8Å; L380-H383 CarbonylContact O-C 3.56Å; L380-H383 WeakPolarHBondContact O-CA 3.4Å; L380-H383 WeakPolarHBondContact O-CB 3.3Å; L380-H383 PolarHBondContact O-N 3.28Å; L380-M384 HydrophobicContact CD1-CG 4.09Å; L380-M384 HydrophobicContact CD1-SD 4.07Å; L380-M384 HydrophobicContact CG-CG 4.26Å; L380-M384 WeakPolarHBondContact O-CG 3.47Å; L380-M384 PolarHBondContact O-N 2.87Å
381R84.8Confident77.7Confident165 Ų16582.3 Ų82.362%0.62343%0.434SS*.Hα-helixtrans-58.8-40.4179.2-170.8-179.2-60.6126.43.6113.3P377 S379 H383 M384 K385P377-R381 WeakPolarHBondContact O-CB 3.21Å; P377-R381 PolarHBondContact O-N 2.91Å; S379-R381 PolarHBondContact O-N 3.27Å; R381-H383 VanDerWaalsContact C-N 3.33Å; R381-M384 PolarHBondContact O-N 3.14Å; R381-K385 PolarHBondContact O-N 3.36Å
382K84.9Confident75.9Confident157 Ų15781.5 Ų81.568%0.68344%0.438SS*.Hα-helixtrans-64.9-39.7174.5-74.3176.7-178-176.40111.6S378 S379 L380 K385S378-K382 WeakPolarHBondContact O-CG 3.44Å; S378-K382 PolarHBondContact O-N 3.28Å; S378-K382 VanDerWaalsContact O-N 3.09Å; S379-K382 PolarHBondContact O-N 2.76Å; L380-K382 VanDerWaalsContact C-N 3.33Å; L380-K382 PolarHBondContact O-N 2.8Å; K382-K385 WeakPolarHBondContact O-CB 3.48Å; K382-K385 PolarHBondContact O-N 2.85Å
383H85.9Confident74Confident22 Ų2283.7 Ų83.710%0.10245%0.451CS..Hα-helixtrans-68.1-37.8176.5167.264.3000112.8C367 C370 Y374 S379 L380 R381 K385 V386 H387C367-H383 WeakPolarHBondContact CB-NE2 3.48Å; C367-H383 VanDerWaalsContact SG-CD2 3.55Å; C367-H383 PolarHBondContact SG-NE2 3.32Å; C370-H383 PolarHBondContact SG-CE1 3.38Å; C370-H383 PolarHBondContact SG-NE2 3.07Å; Y374-H383 HydrophobicContact CE1-CB 4.11Å; Y374-H383 HydrophobicContact CE2-CB 4.02Å; Y374-H383 AromaticContact CE2-CD2 3.37Å; Y374-H383 WeakPolarHBondContact CE2-CD2 3.31Å; Y374-H383 AromaticContact CE2-CG 3.8Å; Y374-H383 AromaticContact CZ-CD2 3.52Å; Y374-H383 AromaticContact CZ-CG 3.45Å; Y374-H383 VanDerWaalsContact CZ-CG 3.45Å; Y374-H383 WeakPolarHBondContact OH-CB 3.48Å; Y374-H383 PolarHBondContact OH-CD2 3.3Å; Y374-H383 PolarHBondContact OH-CE1 2.94Å; Y374-H383 PolarHBondContact OH-ND1 3.05Å; Y374-H383 VanDerWaalsContact OH-ND1 3.11Å; Y374-H383 PolarHBondContact OH-NE2 3.08Å; S379-H383 WeakPolarHBondContact O-CB 2.99Å; S379-H383 PolarHBondContact O-N 3.24Å; L380-H383 CarbonylContact O-C 3.56Å; L380-H383 WeakPolarHBondContact O-CA 3.4Å; L380-H383 WeakPolarHBondContact O-CB 3.3Å; L380-H383 PolarHBondContact O-N 3.28Å; R381-H383 VanDerWaalsContact C-N 3.33Å; H383-K385 PolarHBondContact O-N 3.49Å; H383-V386 WeakPolarHBondContact O-CA 3.39Å; H383-V386 WeakPolarHBondContact O-CB 3.31Å; H383-V386 PolarHBondContact O-N 3.18Å; H383-H387 AromaticContact CE1-CD2 3.79Å; H383-H387 AromaticContact CE1-NE2 3.18Å; H383-H387 PolarHBondContact CE1-NE2 3.13Å; H383-H387 AromaticContact NE2-CD2 3.64Å; H383-H387 AromaticContact NE2-NE2 3.1Å; H383-H387 PolarHBondContact NE2-NE2 3.28Å; H383-H387 VanDerWaalsContact NE2-NE2 3.1Å
384M82.6Confident72.4Confident73 Ų7386.7 Ų86.736%0.3647%0.472SS..Hα-helixtrans-58.4-32175.4-68.4-56.4-64.400112.3V369 L380 R381 V386 H387 E388V369-M384 HydrophobicContact CG2-CE 4.04Å; L380-M384 HydrophobicContact CD1-CG 4.09Å; L380-M384 HydrophobicContact CD1-SD 4.07Å; L380-M384 HydrophobicContact CG-CG 4.26Å; L380-M384 WeakPolarHBondContact O-CG 3.47Å; L380-M384 PolarHBondContact O-N 2.87Å; R381-M384 PolarHBondContact O-N 3.14Å; M384-V386 PolarHBondContact O-N 3.06Å; M384-H387 WeakPolarHBondContact O-CB 3.44Å; M384-H387 PolarHBondContact O-N 2.83Å; M384-H387 VanDerWaalsContact O-N 3.15Å; M384-E388 PolarHBondContact O-N 3.38Å
385K84.9Confident70.7Confident134 Ų13489.9 Ų89.958%0.58350%0.501SS*.Hα-helixtrans-64-26173.1-63.7-173.8175-161.30113.4R381 K382 H383 E388 S389R381-K385 PolarHBondContact O-N 3.36Å; K382-K385 WeakPolarHBondContact O-CB 3.48Å; K382-K385 PolarHBondContact O-N 2.85Å; H383-K385 PolarHBondContact O-N 3.49Å; K385-E388 PolarHBondContact O-N 3.07Å; K385-S389 WeakPolarHBondContact O-CB 3.2Å; K385-S389 PolarHBondContact O-N 3.38Å; K385-S389 PolarHBondContact O-OG 3.49Å
386V83.8Confident69.4Low74 Ų7493.7 Ų93.745%0.44853%0.526SS..Hα-helixtrans-68.2-42.7174.7-176.60000109.6H383 M384 E388 S389 Q390H383-V386 WeakPolarHBondContact O-CA 3.39Å; H383-V386 WeakPolarHBondContact O-CB 3.31Å; H383-V386 PolarHBondContact O-N 3.18Å; M384-V386 PolarHBondContact O-N 3.06Å; V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.77Å; V386-S389 WeakPolarHBondContact CA-OG 3.18Å; V386-S389 PolarHBondContact O-N 3.47Å; V386-S389 PolarHBondContact O-OG 3.4Å; V386-Q390 HydrophobicContact CG1-CG 4.21Å; V386-Q390 VanDerWaalsContact O-CB 3.25Å; V386-Q390 WeakPolarHBondContact O-CB 3Å; V386-Q390 WeakPolarHBondContact O-CG 3.2Å; V386-Q390 PolarHBondContact O-N 3.12Å
387H81Confident67.5Low47 Ų4796.9 Ų96.922%0.21856%0.559CS.*Hα-helixtrans-63.9-39.1173.1-69-62.5000112.4V369 C370 H383 M384 S389 Q390 G391V369-H387 HydrophobicContact CG1-CB 4.34Å; V369-H387 VanDerWaalsContact CG1-ND1 3.33Å; V369-H387 WeakPolarHBondContact CG1-ND1 3.35Å; C370-H387 PolarHBondContact SG-NE2 2.9Å; C370-H387 VanDerWaalsContact SG-NE2 3.38Å; H383-H387 AromaticContact CE1-CD2 3.79Å; H383-H387 AromaticContact CE1-NE2 3.18Å; H383-H387 PolarHBondContact CE1-NE2 3.13Å; H383-H387 AromaticContact NE2-CD2 3.64Å; H383-H387 AromaticContact NE2-NE2 3.1Å; H383-H387 PolarHBondContact NE2-NE2 3.28Å; H383-H387 VanDerWaalsContact NE2-NE2 3.1Å; M384-H387 WeakPolarHBondContact O-CB 3.44Å; M384-H387 PolarHBondContact O-N 2.83Å; M384-H387 VanDerWaalsContact O-N 3.15Å; H387-S389 VanDerWaalsContact C-N 3.29Å; H387-S389 PolarHBondContact O-N 3.48Å; H387-Q390 CarbonylContact O-C 3.35Å; H387-Q390 PolarHBondContact O-N 3.37Å; H387-Q390 VanDerWaalsContact O-N 3.14Å; H387-G391 PolarHBondContact O-N 2.77Å
388E75.6Confident65.3Low162 Ų16298.8 Ų98.876%0.75758%0.58SS**Hα-helixtrans-63.7-34.2175.4-165.3173.7-172.600112.3M384 K385 V386M384-E388 PolarHBondContact O-N 3.38Å; K385-E388 PolarHBondContact O-N 3.07Å; V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.77Å
389S66.1Low63.1Low87 Ų87102 Ų10261%0.60860%0.602SS**Hα-helixtrans-80.8-12.317464.70000114.9K385 V386 H387K385-S389 WeakPolarHBondContact O-CB 3.2Å; K385-S389 PolarHBondContact O-N 3.38Å; K385-S389 PolarHBondContact O-OG 3.49Å; V386-S389 WeakPolarHBondContact CA-OG 3.18Å; V386-S389 PolarHBondContact O-N 3.47Å; V386-S389 PolarHBondContact O-OG 3.4Å; H387-S389 VanDerWaalsContact C-N 3.29Å; H387-S389 PolarHBondContact O-N 3.48Å
390Q59Low60.9Low118 Ų118105 Ų10555%0.55162%0.623SS**THydrogen-bonded Turntrans-114.215.4-173.4-66.8-74.6-13.300112.4V386 H387 S392V386-Q390 HydrophobicContact CG1-CG 4.21Å; V386-Q390 VanDerWaalsContact O-CB 3.25Å; V386-Q390 WeakPolarHBondContact O-CB 3Å; V386-Q390 WeakPolarHBondContact O-CG 3.2Å; V386-Q390 PolarHBondContact O-N 3.12Å; H387-Q390 CarbonylContact O-C 3.35Å; H387-Q390 PolarHBondContact O-N 3.37Å; H387-Q390 VanDerWaalsContact O-N 3.14Å; Q390-S392 PolarHBondContact O-N 2.71Å
391G49.1Very low58.2Low76 Ų76106.6 Ų106.678%0.78465%0.647SS**THydrogen-bonded Turntrans-6927.9-17800000116.3H387H387-G391 PolarHBondContact O-N 2.77Å
392S43.3Very low55.7Low108 Ų108109 Ų10976%0.75566%0.658SS**THydrogen-bonded Turntrans-131.10.3174.967.40000116.2Q390Q390-S392 PolarHBondContact O-N 2.71Å
393E39.2Very low53Low168 Ų168110.7 Ų110.779%0.78567%0.668SS**  trans-138.9106.1174.6-66.3-170.3149.500111.3
394S43.4Very low50.4Low113 Ų113115.2 Ų115.279%0.7970%0.702SS**  trans-78.3133.8171.249.30000111.7
395S42.6Very low47.9Very low116 Ų116116.8 Ų116.881%0.81173%0.727SS**  trans78.5162.1148.9-74.20000120
396P47.7Very low45.5Very low121 Ų121116.4 Ų116.479%0.78674%0.736SS**  cis-123.8176-5.223.6-0.2000114.7
397A36.3Very low43.2Very low104 Ų104118.1 Ų118.186%0.8675%0.748SS**  trans-37.6130.117400000115.7
398A30.2Very low41.1Very low94 Ų94122 Ų12278%0.77778%0.778SS**  trans-121.6104.1154.800000108.1S400A398-S400 PolarHBondContact O-N 3.38Å
399S37.1Very low38.9Very low123 Ų123120.9 Ų120.986%0.8678%0.782SS**  trans-60.4118159.849.70000109.6
400S35.8Very low37.3Very low111 Ų111124.7 Ų124.778%0.77680%0.795SS**  trans-148.7109.6155.360.70000105.5A398A398-S400 PolarHBondContact O-N 3.38Å
401G29.2Very low35.9Very low66 Ų66125.4 Ų125.468%0.6881%0.807SS**  8896.262.600000106
402Y31.7Very low34.9Very low215 Ų215127.3 Ų127.384%0.84381%0.808SS**  trans-45.7132.917256.2-81.3000111.2
403E28.3Very low34.2Very low193 Ų193126.7 Ų126.790%0.90281%0.809SS**  trans-141.1102.2145.4-80.9-162.2122.400107.6A405E403-A405 PolarHBondContact O-N 3.38Å
404S31.3Very low33.5Very low117 Ų117124 Ų12482%0.81881%0.809SS**  trans-70.1105.9167.1-79.60000108.5T406S404-T406 PolarHBondContact O-N 3.19Å
405A29.4Very low32.8Very low105 Ų105124.5 Ų124.587%0.86881%0.807SS**  trans-76.8100166.400000109.6E403E403-A405 PolarHBondContact O-N 3.38Å
406T35.3Very low32.2Very low127 Ų127128.2 Ų128.278%0.77981%0.812SS**PPolyproline II helixtrans-75.3145.3156.433.10000110.2S404S404-T406 PolarHBondContact O-N 3.19Å
407P36.2Very low31.3Very low109 Ų109129.7 Ų129.771%0.70881%0.813SS**PPolyproline II helixtrans-74155.6-176.732.3-34.5000111.7V409P407-V409 PolarHBondContact O-N 3.44Å
408P35.4Very low31.8Very low130 Ų130129.1 Ų129.184%0.84480%0.801SS**PPolyproline II helixtrans-74.6129.7-173.229.4-32.9000112
409V31Very low31.7Very low137 Ų137131.1 Ų131.183%0.8380%0.803SS**PPolyproline II helixtrans-92.5125.6160.9176.90000107.5P407 V411P407-V409 PolarHBondContact O-N 3.44Å; V409-V411 PolarHBondContact O-N 2.92Å
410L32.1Very low31.3Very low168 Ų168134.8 Ų134.888%0.8880%0.804SS**  trans-72.6113.9171-79.4159000109.9
411V29.2Very low31.1Very low133 Ų133135.7 Ų135.781%0.80681%0.805SS**  trans-152130.5144.1176.30000110.7V409V409-V411 PolarHBondContact O-N 2.92Å
412S28.7Very low32Very low116 Ų116137.9 Ų137.981%0.81181%0.807SS**  trans-5.2145.8161.9-48.50000123.3
413A27.2Very low32.3Very low94 Ų94133.2 Ų133.278%0.77780%0.803SS**  trans-68.5151.6177.500000115.8
414S25.9Very low32.2Very low113 Ų113129.2 Ų129.279%0.7980%0.796SS**  trans-166.7119.2135.5-76.50000111.5
415T28.4Very low32Very low122 Ų122128 Ų12875%0.74879%0.794SS**  trans28.2132.1139.756.30000122.9
416E29.2Very low31.9Very low194 Ų194128.8 Ų128.891%0.90779%0.787SS**  141.1150.5124.7-63.5-160.6170.400114.7
417D29.5Very low31.5Very low153 Ų153130.7 Ų130.782%0.81879%0.787SS**  trans-105.1-160.7-149.1-158.25.5000112.8
418P46.6Very low30.9Very low91 Ų91132.8 Ų132.859%0.59179%0.793SS**  -111.6176.1-112.937.1-19.6000114.9
419T27.3Very low30.6Very low136 Ų136133.3 Ų133.383%0.83479%0.794SS**  166.8141.8124.437.90000115.4
420K29.9Very low30.9Very low201 Ų201132.9 Ų132.987%0.87479%0.794SS**  trans102.9136.8141-133.3170.9-177.2179.50120.8
421T31.3Very low30.5Very low129 Ų129127.9 Ų127.979%0.79178%0.783SS**  trans-84.6171-162.420.40000116
422P47.8Very low30.4Very low113 Ų113130.1 Ų130.173%0.73478%0.784SS**  trans-95.7-175.9-164.940.6-35.7000113.7
423P38.1Very low30.3Very low116 Ų116128.7 Ų128.775%0.75377%0.774SS**  -151.2156.210835.9-17.2000117.8
424S26.3Very low30.2Very low109 Ų109133.4 Ų133.476%0.76278%0.78SS**  trans43.4114.5134.2-54.50000120.4
425A26.3Very low30.2Very low92 Ų92131.5 Ų131.576%0.7678%0.778SS**  68.9125.881.200000113.7
426V27.5Very low30.3Very low121 Ų121133.8 Ų133.873%0.73379%0.785SS**  trans-178.3116.3142.2147.60000110.6
427Q26.9Very low30.6Very low167 Ų167130 Ų13078%0.7878%0.777SS**  trans56.1110.1135.3-54.1168.9-15.800118.7
428N25.3Very low31Very low153 Ų153128 Ų12882%0.81877%0.772SS**  47.9113.581.4-76.5-25.4000114.9
429T29.3Very low30.2Very low141 Ų141130 Ų13087%0.86578%0.778SS**  -175156.8110.628.70000112.6
430P35.3Very low30.3Very low128 Ų128132.8 Ų132.883%0.83178%0.779SS**  trans-108.6167.3-163.640.1-29.2000113.2
431G24.8Very low30.7Very low64 Ų64129.9 Ų129.966%0.6677%0.773SS**  trans-168.5118.7167.900000114.7
432H26.5Very low30.6Very low180 Ų180130.4 Ų130.483%0.83377%0.767SS**  trans59.6105.9147.5-80.8-88.5000118.7
433S26.1Very low29.7Very low85 Ų85135.3 Ų135.359%0.59477%0.771SS**  72.3140.36880.90000114.7
434E25.6Very low29.2Very low194 Ų194140.8 Ų140.891%0.90778%0.778SS**  trans88.7126.7168.5-48.2-168.4166.200114.4
435G27.3Very low29.7Very low72 Ų72145.6 Ų145.674%0.74280%0.802SS**  cis-167.8149.2500000110
436L29.5Very low29.8Very low170 Ų170148.3 Ų148.389%0.8980%0.804SS**  trans-55.6152.2159.9-82.9147.5000109.9
437P36.4Very low30Very low116 Ų116149.7 Ų149.775%0.75381%0.808SS**  -147.9-164.592.344.3-25.7000111.6
438P36.4Very low30.1Very low110 Ų110148.7 Ų148.771%0.71481%0.809SS**  -119.4161.6-98.329.5-8.8000113.6
439N29.9Very low30.4Very low134 Ų134148.5 Ų148.572%0.71781%0.809SS**  trans47.5109.3139.7-162.28.7000118.5
440F30.6Very low30.5Very low193 Ų193148.9 Ų148.985%0.84681%0.805SS**  trans-153.6107.8142.2-107.3-80.2000111.5
441N37.7Very low30.2Very low141 Ų141150.3 Ų150.375%0.75480%0.804SS**  trans-53126.4151.7-86.5-21000108.9
442E28.8Very low30.6Very low139 Ų139156.5 Ų156.565%0.6581%0.814SS**  trans176168.9144.9-102168.1171.500109.6
443W29.3Very low30.9Very low217 Ų217154.7 Ų154.782%0.82281%0.812SS**  trans92.161.3170-43.696.9000116.2
444Y28.3Very low31.3Very low231 Ų231160.5 Ų160.591%0.90683%0.831SS**  trans-89.5117.6135.3-107.4-94.6000108.3
445V35.6Very low31.8Very low209 Ų209157.5 Ų157.5100%1.26782%0.824SS**  trans-150.70141.3178.90000108.4

Retrieved 445 of 445 residues in 627.4 ms (Link to these results)