A0A087YH63_POEFO Loading...

MAD2L1 binding protein

AlphaFold DB , UniProt , Accession A0A087YH63, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 365 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
1M34.8Very low41Very low240 Ų240150.5 Ų150.5100%1.18282%0.824SS**  0100.90-64.5172-178.500104.4
2A37.1Very low40.5Very low82 Ų82146.7 Ų146.768%0.67881%0.808SS**  92.3126.172.900000108.9
3D41.6Very low40.1Very low164 Ų164146 Ų14688%0.87780%0.803SS**  cis-145.3-170.12.2-88.1-36.8000112.4
4Q45.4Very low40.1Very low172 Ų172143.2 Ų143.280%0.80480%0.799SS**  trans-99.5177.4-173.3-54.4175-60.300113.5
5C42.5Very low40.1Very low99 Ų99141.3 Ų141.367%0.66979%0.787SS**  trans68.6161.6153-65.50000117.3
6D43.8Very low40.4Very low138 Ų138143.6 Ų143.674%0.73879%0.789SS**  cis-164.2155.4-28-104-24.7000107.9
7T42.7Very low40.3Very low132 Ų132141.9 Ų141.981%0.8178%0.784SS**  trans-156.7116.6144-530000110.9
8L38.8Very low40.2Very low163 Ų163144.6 Ų144.685%0.85379%0.79SS**  trans-108.2152.5157.6-72.5170.4000108.4
9Q42.5Very low39.9Very low185 Ų185140.6 Ų140.686%0.86479%0.786SS**  trans-117.8121.5163-79.9-166.3-20.100109.9
10P40.5Very low39.8Very low105 Ų105140.1 Ų140.168%0.68279%0.792SS**  trans-92.7157.4166.236.3-32.1000111.2
11I41.3Very low39.8Very low176 Ų176137.4 Ų137.490%0.90378%0.782SS**  trans-131133.3158.5-61-178.9000107.1
12T34.4Very low40Very low104 Ų104133.6 Ų133.664%0.63877%0.765SS**  trans-136.4128.9-168.9480000112.1
13N35.6Very low40.1Very low138 Ų138135 Ų13574%0.73877%0.766SS**  trans63.3-179.1154.2-44.712.1000114.4
14S40.4Very low39.9Very low107 Ų107135.2 Ų135.275%0.74876%0.761SS**  cis-158.6163.95.257.30000111.7
15D40.4Very low39.5Very low115 Ų115131.4 Ų131.462%0.61575%0.753SS**  cis-174.4157.3-30.2-84.8-38.2000107.9
16E43.8Very low39Very low178 Ų178130 Ų13083%0.83276%0.755SS**  trans64.6174.6161.4-65.4178.1175.600118.8
17T38.6Very low38.7Very low115 Ų115131 Ų13171%0.70676%0.761SS**  cis-149177.212.6-26.10000114.1
18E40.2Very low38.1Very low189 Ų189128.1 Ų128.188%0.88376%0.757SS**  trans-49.5172178.9-56.5168.7143.100118.5
19G33.4Very low38Very low70 Ų70131.1 Ų131.172%0.72276%0.757SS**  cis158.8175-5.600000114.8
20S38.6Very low37.8Very low129 Ų129130.1 Ų130.190%0.90276%0.756SS**  trans72.4159.3171.7-128.20000118
21S39.7Very low38Very low84 Ų84134.7 Ų134.759%0.58777%0.765SS**  cis-158.7160.79.972.60000114.9
22I37.9Very low37.7Very low160 Ų160138 Ų13882%0.82177%0.766SS**  trans71.1160.6147.7-81.1167.7000118.9
23V40.9Very low37.9Very low113 Ų113144.2 Ų144.269%0.68578%0.778SS**  -161.1142.4-55.682.90000108.9
24H36.7Very low37.6Very low167 Ų167145.9 Ų145.977%0.77379%0.786SS**  146.4169.8107-132.219.4000108.8
25S37.6Very low37.1Very low92 Ų92145.2 Ų145.264%0.64378%0.782SS**  cis-162178.2-6.9-151.70000110.7
26G30.8Very low36.5Very low69 Ų69145.3 Ų145.371%0.71179%0.79SS**  trans68.4100161.900000117.3
27D37.6Very low35.7Very low160 Ų160142 Ų14286%0.85679%0.786SS**  cis91137.445.8-163.327.3000114.6
28G30.7Very low35.4Very low72 Ų72141 Ų14174%0.74278%0.784SS**  trans164.160.9-167.400000114.2
29R36.4Very low34.9Very low226 Ų226138 Ų13885%0.85377%0.77SS**  trans-61.5146.6178.6-65.7175.4170.9-175-0.8113.9
30I38Very low34.8Very low164 Ų164144 Ų14484%0.84177%0.771SS**  trans-153.8141.2130.7-100.7147000109.8
31K44.8Very low34.4Very low200 Ų200144.3 Ų144.387%0.8776%0.763SS**  trans-110.4136.7171.4-67178.3177.8179.10109.8
32R34.2Very low33.9Very low245 Ų245144 Ų14493%0.92576%0.761SS**  trans-143.2119.1148.2-71.4-165.2176.41413.8111.5
33R39.1Very low33.5Very low235 Ų235145.4 Ų145.489%0.88776%0.76SS**  trans-77.9156.7149.9-83179.4165.7-178.9-5.4107.9
34L29.8Very low33Very low174 Ų174146.3 Ų146.391%0.91177%0.767SS**  -164175.7122.5-105.4169.4000110.1
35S30.8Very low32.8Very low93 Ų93142.5 Ų142.565%0.6576%0.764SS**  trans-143.3173.6-161.6-50.10000112.6
36C26.7Very low32.6Very low116 Ų116147.5 Ų147.578%0.78478%0.777SS**  trans82.9100.2153-58.90000120.6
37S27.7Very low32.9Very low108 Ų108152.4 Ų152.476%0.75578%0.782SS**  57.9129.7113.369.20000124.7
38S30.9Very low32.9Very low94 Ų94151.1 Ų151.166%0.65778%0.782SS**  103127.1129.7-128.40000123.1
39E29.8Very low32.8Very low128 Ų128152.3 Ų152.360%0.59878%0.779SS**  trans71.1122.5139.1-81.6166.211400125.2
40R32.7Very low32.6Very low194 Ų194150 Ų15073%0.73278%0.78SS**  trans63.2143.8143.4-62.1-168.5-172.599.615.9117.8
41N30.1Very low32.1Very low137 Ų137148 Ų14873%0.73378%0.776SS**  cis-166.3168.71.7-110.97.5000107.4
42S28.6Very low31.2Very low78 Ų78144.7 Ų144.755%0.54578%0.776SS.*  cis-179.7168.8-1351.80000109
43K30.5Very low30.9Very low188 Ų188138.7 Ų138.782%0.81777%0.766SS**  trans79146174.4-49.3176.2-179.5-179.20114.2
44T30.4Very low30.4Very low133 Ų133134.5 Ų134.582%0.81676%0.761SS**  cis-153.6171.35.3-11.50000111.3
45A32Very low30.4Very low86 Ų86133.8 Ų133.871%0.71176%0.757SS**  trans67.599.217700000114.5
46E33.3Very low30.3Very low198 Ų198133.5 Ų133.593%0.92576%0.755SS**  89.2111.358.8-72.2-173.8158.600113.8
47E37.2Very low30.6Very low172 Ų172136.6 Ų136.680%0.80476%0.763SS**  trans-87.5160.8169.1-54.6178.1128.500111.1
48P37Very low30.7Very low132 Ų132139.6 Ų139.686%0.85777%0.765SS**  trans-106.397.7149.534-24.2000110.5
49S29.6Very low30.8Very low98 Ų98140.6 Ų140.669%0.68577%0.772SS**  trans-84.5126.2157.857.50000109.1
50M31.4Very low30.7Very low178 Ų178141.1 Ų141.188%0.87778%0.784SS**  trans-145.8107.3162.3-80.8-149.5170.500112.8
51T28.1Very low30.7Very low122 Ų122136.7 Ų136.775%0.74878%0.782SS**  trans23.8118131.248.60000119
52C26.5Very low30.8Very low130 Ų130138 Ų13888%0.87879%0.79SS**  trans-65.2130.1162-170.20000111L54C52-L54 PolarHBondContact O-N 2.9Å
53T27.8Very low30.9Very low118 Ų118141.8 Ų141.872%0.72480%0.804SS**  trans-78.3101-172-48.10000112.3L55T53-L55 PolarHBondContact O-N 3.06Å
54L28.2Very low31.4Very low148 Ų148138.8 Ų138.878%0.77581%0.807SS**  trans-79.8107.5174.5-143.7177.4000109.8C52 S56C52-L54 PolarHBondContact O-N 2.9Å; L54-S56 PolarHBondContact O-N 2.92Å
55L28.6Very low31.5Very low158 Ų158140.4 Ų140.483%0.82781%0.81SS**  trans-76.171.6177.6-75.1175.7000112.2T53 L57T53-L55 PolarHBondContact O-N 3.06Å; L55-L57 PolarHBondContact O-N 2.97Å
56S29.3Very low31.6Very low87 Ų87142.2 Ų142.261%0.60882%0.818SS**  trans-70.5107.3165.4-70.50000110.3L54 Q58L54-S56 PolarHBondContact O-N 2.92Å; S56-Q58 PolarHBondContact O-N 3.01Å
57L33.3Very low31.5Very low181 Ų181140.9 Ų140.995%0.94881%0.811SS**  trans-67.498166.1-74.5172.6000109.4L55L55-L57 PolarHBondContact O-N 2.97Å
58Q29.9Very low31.4Very low171 Ų171139.7 Ų139.780%0.79981%0.809SS**  trans-107.4112.2175.8-145.81669.100109.8S56 V60S56-Q58 PolarHBondContact O-N 3.01Å; Q58-V60 PolarHBondContact O-N 3.43Å
59S32.2Very low31.1Very low115 Ų115140.2 Ų140.280%0.80480%0.804SS**  trans-66.5127175.852.80000110.7
60V28.3Very low31.2Very low139 Ų139143 Ų14384%0.84281%0.807SS**  trans-117.2114.1166.4-172.50000107.6Q58Q58-V60 PolarHBondContact O-N 3.43Å
61S33.5Very low31.2Very low101 Ų101140.1 Ų140.171%0.70679%0.791SS**  trans-93.3144162-56.20000108.1
62D30.7Very low31.4Very low165 Ų165144.5 Ų144.588%0.88279%0.794SS**  trans-166.6148.7135-99-24.8000110.2
63D30.8Very low31.6Very low158 Ų158150.3 Ų150.385%0.84580%0.797SS**  trans-83.3150.4-177.5-71.2-61.2000112.9
64S41.8Very low31.8Very low125 Ų125150.1 Ų150.187%0.87480%0.796SS**  trans-163.3132.6145.3-83.70000111.8
65N32.9Very low31.9Very low167 Ų167150.4 Ų150.489%0.89380%0.798SS**  trans-90.6146.5178.1-67.9-54.1000112.2
66S34Very low32.1Very low124 Ų124148.2 Ų148.287%0.86780%0.796SS**  trans-156.3157.8144.148.80000111.3
67E31Very low32.1Very low170 Ų170152.4 Ų152.479%0.79481%0.81SS**  trans-105.7160.8-157.9-53.5166114.500113.6
68I34.9Very low31.9Very low147 Ų147153 Ų15375%0.75481%0.805SS**  trans66.9133.8141.8-72.6163.1000117.3
69D30.8Very low32Very low142 Ų142151.8 Ų151.876%0.75980%0.803SS**  cis-159-176.82.7-140.2-31.3000113
70E31.6Very low31.7Very low158 Ų158153.9 Ų153.974%0.73881%0.805SS**  trans84.2145.7147.2-86.4-87.373.300124
71E32.2Very low31.8Very low117 Ų117152.8 Ų152.855%0.54780%0.798SS.*  trans64.290.7157-69.9-103.588.100122.8
72R30.6Very low31.5Very low214 Ų214156.2 Ų156.281%0.80880%0.803SS**  44.8115.6121.6-60-173.5-177.1129.5-5.2120.3
73R32.4Very low31.6Very low251 Ų251153.7 Ų153.795%0.94780%0.798SS**  -157.3154.2106.3-113.3170.9-175.5135.43.4112.9
74T30.8Very low31.7Very low114 Ų114153.3 Ų153.370%0.69980%0.796SS**  trans-82.3154.5172.853.20000110.6
75D30.8Very low31.2Very low154 Ų154155.3 Ų155.382%0.82480%0.797SS**  -167.9156.7102.7-89.6-5.1000111.9
76S31.5Very low30.9Very low112 Ų112150.3 Ų150.378%0.78379%0.785SS**  trans-124.3116.1-160.7-61.70000111.9
77I31.1Very low30.8Very low176 Ų176150.6 Ų150.690%0.90378%0.782SS**  trans-133.4116.9159.4-57.8-178000108.7
78K27.6Very low30.7Very low194 Ų194149.1 Ų149.184%0.84378%0.779SS**  trans-133.1113.1170.1-166.2176.6-174.9179.60109.7
79I32.1Very low30.6Very low144 Ų144148.3 Ų148.374%0.73878%0.781SS**  trans6.9127.2152.2-40.1171.1000115.7
80N25.4Very low30.6Very low159 Ų159151.2 Ų151.285%0.8579%0.787SS**  trans-140.6152.1132.4-153.910.9000111.6
81V30.3Very low30.3Very low117 Ų117147.1 Ų147.171%0.70979%0.788SS**  trans-110.4127.7172.9172.50000107
82E29.1Very low30.4Very low173 Ų173147.9 Ų147.981%0.80880%0.8SS**  trans-85.1139.1-177.3-154164.9-140.100110.9
83S32Very low31Very low111 Ų111143 Ų14378%0.77680%0.796SS**  trans-137.5133.3176.6570000108.5
84N33.6Very low30.8Very low150 Ų150137.9 Ų137.980%0.80279%0.787SS**  trans-127.8139.6-177.3-93.6-42.6000110.1
85N29.6Very low30.9Very low167 Ų167139.3 Ų139.389%0.89380%0.796SS**  trans-157139.9-173.8-146.94.3000110.5
86G28.2Very low31Very low63 Ų63140.6 Ų140.665%0.64980%0.797SS**  trans90.3159.1174.600000116.5
87T30.3Very low31Very low130 Ų130144.3 Ų144.380%0.79880%0.802SS**  cis-159.4146.7-4.5-28.90000112
88D29.3Very low31.1Very low138 Ų138143.2 Ų143.274%0.73879%0.791SS**  trans47141.6150.5-97.5-56000124
89V33.3Very low31.1Very low130 Ų130140.6 Ų140.679%0.78878%0.781SS**  179.1104.598.9162.80000111.3
90K31.5Very low30.9Very low203 Ų203140.2 Ų140.288%0.88378%0.781SS**  44.1123129-155.3176.7-171174.70122.5
91G24.7Very low31Very low73 Ų73137.9 Ų137.975%0.75378%0.777SS**  trans-180115158.500000116.6
92V33.2Very low30.9Very low133 Ų133137.8 Ų137.881%0.80678%0.782SS**  trans-155.7138.9-178.4-179.80000105.7
93P43.3Very low31.1Very low112 Ų112138.3 Ų138.373%0.72778%0.784SS**  -150.9169.355.643.3-22.6000120.6
94N30Very low31.5Very low142 Ų142138.4 Ų138.476%0.75978%0.782SS**  trans14.7137.8145.6-48.78.2000122.4
95T31.2Very low31.4Very low145 Ų145136 Ų13689%0.8978%0.777SS**  trans-145151.8130.6-41.20000109.5
96E34.4Very low31.3Very low180 Ų180135.1 Ų135.184%0.84177%0.772SS**  trans-103.1-165.4175.7-60.8-179.5126.400111.6
97E31Very low31.6Very low190 Ų190140.3 Ų140.389%0.88878%0.784SS**  trans89.1151.6173.6-60.9-171-172.300119
98K33.2Very low31.8Very low154 Ų154141.2 Ų141.267%0.6778%0.782SS**  cis-169.2139.8-35.2-161.6179.2154.5-176.40111.1
99E27.4Very low32Very low138 Ų138143.8 Ų143.865%0.64579%0.79SS**  trans57.8135.3153.6-87.7171.8-154.300124.7
100N28.7Very low31.8Very low136 Ų136143.8 Ų143.873%0.72779%0.785SS**  trans83.4112.2132.7-67.7-19.1000124.6
101S27.3Very low31.8Very low111 Ų111142.3 Ų142.378%0.77678%0.781SS**  70115.8116.7-1640000122
102S27.6Very low32.1Very low115 Ų115143.9 Ų143.980%0.80478%0.776SS**  -173130.7123.824.50000112.9
103E32.8Very low32Very low184 Ų184146.2 Ų146.286%0.8678%0.779SS**  trans-94.9174.6150.5-55.1-174.9140.900108.4
104P40.9Very low31.5Very low113 Ų113148 Ų14873%0.73479%0.788SS**  -155.6172.883.442.5-23.6000117.9
105S30.6Very low31.7Very low98 Ų98149.9 Ų149.969%0.68579%0.792SS**  trans85.596.7148.1-54.40000121.8
106D27.7Very low31.6Very low150 Ų150152.1 Ų152.180%0.80279%0.792SS**  34120.8118.9-51.7-28.2000122
107I34.3Very low31.4Very low172 Ų172149.6 Ų149.688%0.88279%0.789SS**  -138.1138.8123.5-66.6-168.5000108.8
108I34.6Very low31.9Very low149 Ų149146.3 Ų146.376%0.76479%0.787SS**  trans-93.5135.2-178.2-61.7162.1000111.2
109Q34Very low32Very low192 Ų192141.7 Ų141.790%0.89778%0.783SS**  trans-150146.3140-142.3165.38.700111.9
110D28.5Very low32.9Very low129 Ų129140.5 Ų140.569%0.6979%0.788SS**  trans-123.7136.5-163.4172.624.8000111.2
111Q33.4Very low33.8Very low172 Ų172138.9 Ų138.980%0.80478%0.779SS**  trans-172.2102.5154.7-109.4145.3108.200113
112T30.9Very low34.8Very low106 Ų106139.6 Ų139.665%0.6577%0.774SS**  trans38.8111.5135.555.90000120.9
113E31.1Very low36Very low183 Ų183144.3 Ų144.386%0.85577%0.774SS**  45.2111123.4-61.9177.2-179.300120.4
114T31.3Very low36.7Very low149 Ų149141.4 Ų141.491%0.91476%0.759SS**  -155.9137.8118.510.50000109.5
115E34.8Very low37.4Very low181 Ų181141.2 Ų141.285%0.84675%0.751SS**  trans-86.1121.5177.7-62.1178.1116.500110.8
116E29.8Very low38.8Very low193 Ų193140 Ų14090%0.90274%0.74SS**  trans-127.785.1153-76.4-155.1165.500109.7S118E116-S118 PolarHBondContact O-N 3.11Å
117T30.3Very low41Very low127 Ų127137.7 Ų137.778%0.77973%0.727SS**  trans-6999.5173.3-58.50000109.5G119T117-G119 PolarHBondContact O-N 3.17Å
118S40.5Very low43.2Very low120 Ų120132.3 Ų132.384%0.83970%0.703SS**  trans-68.489.7178.6610000111.6E116E116-S118 PolarHBondContact O-N 3.11Å
119G35.7Very low45.6Very low57 Ų57132.1 Ų132.159%0.58870%0.699SS**  trans-68.6166.4172.800000113.7T117T117-G119 PolarHBondContact O-N 3.17Å
120P46.4Very low48.1Very low114 Ų114129.6 Ų129.674%0.7469%0.687SS**  trans-73.5174-177.531.7-36.2000114.3D122P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.43Å
121D47.4Very low50.9Low102 Ų102129.4 Ų129.455%0.54568%0.682SS.*  trans-79.756.5-167.6-172.421.3000114.5R123 K124D121-R123 PolarHBondContact O-N 3.25Å; D121-K124 IonicContact OD1-NZ 2.89Å; D121-K124 PolarHBondContact OD1-NZ 3.27Å; D121-K124 IonicContact OD2-NZ 3.5Å; D121-K124 PolarHBondContact OD2-NZ 3.04Å
122D48.7Very low53.7Low125 Ų125123.2 Ų123.267%0.66865%0.654SS**THydrogen-bonded Turntrans-60.6-4.1-179.8-84.9-21000114.9P120P120-D122 VanDerWaalsContact C-N 3.31Å; P120-D122 PolarHBondContact O-N 3.43Å
123R51.8Low56.5Low214 Ų214120.9 Ų120.981%0.80865%0.646SS**THydrogen-bonded Turntrans-88.4-4.5-170.4-68.6-172.4178.5-178.41.7115.2D121 N127D121-R123 PolarHBondContact O-N 3.25Å; R123-N127 PolarHBondContact O-ND2 2.92Å
124K48.9Very low59.3Low124 Ų124116.1 Ų116.154%0.53962%0.624SS.*THydrogen-bonded Turntrans-94.8-35.7178.8-68.5-165.4178.576.20113.9D121 T128D121-K124 IonicContact OD1-NZ 2.89Å; D121-K124 PolarHBondContact OD1-NZ 3.27Å; D121-K124 IonicContact OD2-NZ 3.5Å; D121-K124 PolarHBondContact OD2-NZ 3.04Å; K124-T128 PolarHBondContact O-N 3.33Å; K124-T128 PolarHBondContact O-OG1 3.49Å
125D54.2Low62.2Low108 Ų108110.2 Ų110.258%0.57859%0.587SS**Hα-helixtrans-74.3-39.6-167.8-64.8-15.4000111.6N127 T128 E129D125-N127 VanDerWaalsContact C-N 3.32Å; D125-N127 PolarHBondContact O-N 3.41Å; D125-T128 WeakPolarHBondContact O-CA 3.34Å; D125-T128 WeakPolarHBondContact O-CB 3.45Å; D125-T128 PolarHBondContact O-N 3.01Å; D125-E129 PolarHBondContact O-N 2.89Å
126T61.2Low64.9Low73 Ų73103.7 Ų103.745%0.44856%0.56SS.*Hα-helixtrans-56.8-42.5176.462.80000113T128 E129 E130T126-T128 PolarHBondContact O-N 3.31Å; T126-E129 PolarHBondContact O-N 3.29Å; T126-E130 WeakPolarHBondContact O-CG 3.23Å; T126-E130 PolarHBondContact O-N 3.32Å
127N72.3Confident67.8Low101 Ų10199.9 Ų99.954%0.5454%0.537SS..Hα-helixtrans-65.1-27.4177.5-71.1-74.8000112.3R123 D125 Q131R123-N127 PolarHBondContact O-ND2 2.92Å; D125-N127 VanDerWaalsContact C-N 3.32Å; D125-N127 PolarHBondContact O-N 3.41Å; N127-Q131 WeakPolarHBondContact O-CB 3.19Å; N127-Q131 PolarHBondContact O-N 3.05Å
128T81.8Confident70.7Confident59 Ų5996.3 Ų96.336%0.36251%0.511SS..Hα-helixtrans-80.7-42.4179-52.10000110.9K124 D125 T126 Q131 D132K124-T128 PolarHBondContact O-N 3.33Å; K124-T128 PolarHBondContact O-OG1 3.49Å; D125-T128 WeakPolarHBondContact O-CA 3.34Å; D125-T128 WeakPolarHBondContact O-CB 3.45Å; D125-T128 PolarHBondContact O-N 3.01Å; T126-T128 PolarHBondContact O-N 3.31Å; T128-Q131 PolarHBondContact O-N 3.37Å; T128-D132 WeakPolarHBondContact O-CB 3.48Å; T128-D132 PolarHBondContact O-N 3.49Å
129E84.3Confident73.1Confident146 Ų14691 Ų9168%0.68247%0.474SS*.Hα-helixtrans-63.6-42.5176-66.4-169.9152.300112.1D125 T126 A133D125-E129 PolarHBondContact O-N 2.89Å; T126-E129 PolarHBondContact O-N 3.29Å; E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.37Å; E129-A133 PolarHBondContact O-N 2.95Å
130E87.6Confident75.7Confident139 Ų13994.3 Ų94.365%0.6547%0.474SS*.Hα-helixtrans-62.9-40.6174.8-73.1-179.3-171.100112.2T126 A133 E134T126-E130 WeakPolarHBondContact O-CG 3.23Å; T126-E130 PolarHBondContact O-N 3.32Å; E130-A133 PolarHBondContact O-N 3.36Å; E130-E134 WeakPolarHBondContact O-CB 3.5Å; E130-E134 PolarHBondContact O-N 2.97Å
131Q87.1Confident77.7Confident125 Ų12595 Ų9558%0.58447%0.468SS*.Hα-helixtrans-68.3-45.1178.4-175.3173.633.400112.4N127 T128 A133 E134 V135N127-Q131 WeakPolarHBondContact O-CB 3.19Å; N127-Q131 PolarHBondContact O-N 3.05Å; T128-Q131 PolarHBondContact O-N 3.37Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.4Å; Q131-E134 PolarHBondContact O-N 3.46Å; Q131-V135 WeakPolarHBondContact O-CG2 3.35Å; Q131-V135 PolarHBondContact O-N 3.5Å
132D91.5Very high79.7Confident41 Ų4196.1 Ų96.122%0.21947%0.469CS..Hα-helixtrans-67.8-32.9178.1-81.1-6.2000110.6T128 V135 V136 R283 V287T128-D132 WeakPolarHBondContact O-CB 3.48Å; T128-D132 PolarHBondContact O-N 3.49Å; D132-V135 PolarHBondContact O-N 3.42Å; D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.01Å; D132-R283 IonicContact OD1-NH2 3.39Å; D132-R283 PolarHBondContact OD1-NH2 3.25Å; D132-R283 VanDerWaalsContact OD1-NH2 3.15Å; D132-R283 IonicContact OD2-NH2 2.67Å; D132-V287 HydrophobicContact CB-CG1 3.62Å
133A90Very high81.7Confident58 Ų5890.2 Ų90.248%0.47944%0.438SS..Hα-helixtrans-67.6-38.9172.700000113.7E129 E130 Q131 V136 R137E129-A133 VanDerWaalsContact O-CB 3.23Å; E129-A133 WeakPolarHBondContact O-CB 3.37Å; E129-A133 PolarHBondContact O-N 2.95Å; E130-A133 PolarHBondContact O-N 3.36Å; Q131-A133 VanDerWaalsContact C-N 3.31Å; Q131-A133 PolarHBondContact O-N 3.4Å; A133-V136 PolarHBondContact O-N 3.45Å; A133-R137 PolarHBondContact O-N 3.08Å
134E90.3Very high83.8Confident82 Ų8280.6 Ų80.638%0.38340%0.403SS..Hα-helixtrans-62-43.9172.417862-139.500111.2E130 Q131 V136 R137 K138E130-E134 WeakPolarHBondContact O-CB 3.5Å; E130-E134 PolarHBondContact O-N 2.97Å; Q131-E134 PolarHBondContact O-N 3.46Å; E134-V136 PolarHBondContact O-N 3.19Å; E134-R137 PolarHBondContact O-N 3.15Å; E134-R137 IonicContact OE1-CZ 2.72Å; E134-R137 IonicContact OE1-NH1 3.37Å; E134-R137 IonicContact OE1-NH2 2.54Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.53Å; E134-R137 IonicContact OE2-NH1 3.5Å; E134-R137 PolarHBondContact OE2-NH1 2.98Å; E134-R137 IonicContact OE2-NH2 3.77Å; E134-R137 PolarHBondContact OE2-NH2 3.46Å; E134-K138 WeakPolarHBondContact O-CB 3.37Å; E134-K138 PolarHBondContact O-N 2.73Å
135V91.4Very high86Confident25 Ų2574.8 Ų74.815%0.15238%0.378CS..Hα-helixtrans-58.9-44174.6165.40000111.7Q131 D132 A139 T284 V287 A288Q131-V135 WeakPolarHBondContact O-CG2 3.35Å; Q131-V135 PolarHBondContact O-N 3.5Å; D132-V135 PolarHBondContact O-N 3.42Å; V135-A139 WeakPolarHBondContact O-CB 3.46Å; V135-A139 PolarHBondContact O-N 3.02Å; V135-A139 VanDerWaalsContact O-N 3.09Å; V135-T284 HydrophobicContact CG1-CG2 3.75Å; V135-T284 HydrophobicContact CG2-CG2 4.16Å; V135-V287 HydrophobicContact CB-CG1 4.5Å; V135-V287 HydrophobicContact CG1-CG1 4.13Å; V135-A288 HydrophobicContact CG1-CB 3.75Å
136V91.6Very high88Confident44 Ų4472.5 Ų72.527%0.26737%0.366SS..Hα-helixtrans-61.3-48.2174.6169.90000111.4D132 A133 E134 K138 A139 Q140 V287D132-V136 WeakPolarHBondContact O-CG2 3.21Å; D132-V136 PolarHBondContact O-N 3.01Å; A133-V136 PolarHBondContact O-N 3.45Å; E134-V136 PolarHBondContact O-N 3.19Å; V136-K138 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.48Å; V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.01Å; V136-Q140 VanDerWaalsContact O-N 3.08Å; V136-V287 HydrophobicContact CG2-CG1 4.16Å; V136-V287 WeakPolarHBondContact CG2-O 3.48Å
137R91.8Very high89.7Confident114 Ų11469.1 Ų69.143%0.4335%0.345SS..Hα-helixtrans-58.3-50.3-179.5-169.9-177.679-120.9-7110.8A133 E134 A139 Q140 E141A133-R137 PolarHBondContact O-N 3.08Å; E134-R137 PolarHBondContact O-N 3.15Å; E134-R137 IonicContact OE1-CZ 2.72Å; E134-R137 IonicContact OE1-NH1 3.37Å; E134-R137 IonicContact OE1-NH2 2.54Å; E134-R137 PolarHBondContact OE1-NH2 2.9Å; E134-R137 IonicContact OE2-CZ 3.53Å; E134-R137 IonicContact OE2-NH1 3.5Å; E134-R137 PolarHBondContact OE2-NH1 2.98Å; E134-R137 IonicContact OE2-NH2 3.77Å; E134-R137 PolarHBondContact OE2-NH2 3.46Å; R137-A139 PolarHBondContact O-N 3.2Å; R137-Q140 PolarHBondContact O-N 3.37Å; R137-E141 HydrophobicContact CG-CG 4.17Å; R137-E141 WeakPolarHBondContact CG-OE1 3.46Å; R137-E141 WeakPolarHBondContact CG-OE2 3.39Å; R137-E141 IonicContact NE-OE2 3.58Å; R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.19Å
138K90.9Very high90.9Very high51 Ų5167.7 Ų67.722%0.22234%0.34CS..Hα-helixtrans-63.7-39.4-177.2-160.4175.6-169.4-179.50112.7E134 V136 Q140 E142 G143 C144 D146E134-K138 WeakPolarHBondContact O-CB 3.37Å; E134-K138 PolarHBondContact O-N 2.73Å; V136-K138 PolarHBondContact O-N 2.95Å; K138-Q140 PolarHBondContact O-N 2.84Å; K138-E142 WeakPolarHBondContact CE-OE2 3.37Å; K138-E142 HydrophobicContact CG-CB 4.29Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 WeakPolarHBondContact O-CB 3.15Å; K138-E142 PolarHBondContact O-N 2.54Å; K138-G143 PolarHBondContact O-N 2.96Å; K138-C144 CarbonylContact C-O 3.03Å; K138-C144 WeakPolarHBondContact CE-SG 3.45Å; K138-D146 IonicContact NZ-OD2 2.78Å; K138-D146 PolarHBondContact NZ-OD2 3.3Å
139A90.9Very high91.6Very high8 Ų864.9 Ų64.97%0.06632%0.323CS..Hα-helixtrans-65.9-36.417600000113.1V135 V136 R137 G143 C144 V145 A288 L290V135-A139 WeakPolarHBondContact O-CB 3.46Å; V135-A139 PolarHBondContact O-N 3.02Å; V135-A139 VanDerWaalsContact O-N 3.09Å; V136-A139 PolarHBondContact O-N 3.48Å; R137-A139 PolarHBondContact O-N 3.2Å; A139-G143 VanDerWaalsContact O-CA 3.27Å; A139-G143 WeakPolarHBondContact O-CA 3.16Å; A139-G143 PolarHBondContact O-N 2.56Å; A139-C144 WeakPolarHBondContact CA-O 3.15Å; A139-C144 PolarHBondContact N-O 2.98Å; A139-V145 HydrophobicContact CB-CG2 3.84Å; A139-A288 HydrophobicContact CB-CB 3.67Å; A139-A288 VanDerWaalsContact CB-O 3.3Å; A139-A288 WeakPolarHBondContact CB-O 3.42Å; A139-L290 HydrophobicContact CB-CB 4.48Å; A139-L290 HydrophobicContact CB-CD1 4.1Å
140Q88.6Confident92.1Very high128 Ų12862.2 Ų62.260%0.59832%0.319SS*.Hα-helixtrans-76.5-50.6178.2-69-179.810.700112.1V136 R137 K138 K330V136-Q140 WeakPolarHBondContact O-CG 3.42Å; V136-Q140 PolarHBondContact O-N 3.01Å; V136-Q140 VanDerWaalsContact O-N 3.08Å; R137-Q140 PolarHBondContact O-N 3.37Å; K138-Q140 PolarHBondContact O-N 2.84Å; Q140-K330 PolarHBondContact O-NZ 2.92Å
141E88.8Confident92.3Very high129 Ų12956.6 Ų56.660%0.60330%0.297SS*.Hα-helixtrans-73.4-70-175.5-66.3177.9177.600111.2R137 K330R137-E141 HydrophobicContact CG-CG 4.17Å; R137-E141 WeakPolarHBondContact CG-OE1 3.46Å; R137-E141 WeakPolarHBondContact CG-OE2 3.39Å; R137-E141 IonicContact NE-OE2 3.58Å; R137-E141 WeakPolarHBondContact O-CB 3.49Å; R137-E141 WeakPolarHBondContact O-CG 3.31Å; R137-E141 PolarHBondContact O-N 3.19Å; E141-K330 PolarHBondContact O-NZ 2.72Å
142E89.5Confident92.6Very high124 Ų12451.6 Ų51.658%0.57928%0.277SS*.THydrogen-bonded Turntrans-73-32-176.5-62.1-178.3-155.700112.4K138 C144K138-E142 WeakPolarHBondContact CE-OE2 3.37Å; K138-E142 HydrophobicContact CG-CB 4.29Å; K138-E142 HydrophobicContact CG-CG 4.3Å; K138-E142 WeakPolarHBondContact O-CB 3.15Å; K138-E142 PolarHBondContact O-N 2.54Å; E142-C144 VanDerWaalsContact CB-SG 3.51Å; E142-C144 PolarHBondContact OE2-SG 3.44Å
143G91.7Very high92.8Very high1 Ų149.6 Ų49.61%0.0127%0.267CS..SBendtrans85.424.3-172.300000113.4K138 A139 K332 I333K138-G143 PolarHBondContact O-N 2.96Å; A139-G143 VanDerWaalsContact O-CA 3.27Å; A139-G143 WeakPolarHBondContact O-CA 3.16Å; A139-G143 PolarHBondContact O-N 2.56Å; G143-K332 CarbonylContact O-C 3.4Å; G143-K332 VanDerWaalsContact O-CA 3.27Å; G143-K332 WeakPolarHBondContact O-CA 3.49Å; G143-I333 PolarHBondContact O-N 3.37Å
144C94.4Very high93Very high12 Ų1248.5 Ų48.58%0.08125%0.254CS..EExtended strand (participates in β ladder)trans-133.7155.6-177.762.40000113.2K138 A139 E142 I333K138-C144 CarbonylContact C-O 3.03Å; K138-C144 WeakPolarHBondContact CE-SG 3.45Å; A139-C144 WeakPolarHBondContact CA-O 3.15Å; A139-C144 PolarHBondContact N-O 2.98Å; E142-C144 VanDerWaalsContact CB-SG 3.51Å; E142-C144 PolarHBondContact OE2-SG 3.44Å; C144-I333 CarbonylContact C-O 3.6Å; C144-I333 VanDerWaalsContact CA-O 3.22Å; C144-I333 WeakPolarHBondContact CA-O 3.44Å; C144-I333 HydrophobicContact CB-CB 3.79Å
145V96.6Very high93Very high2 Ų247.7 Ų47.71%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-136.4128.3179.4170.80000108.5A139 V147 T284 L285 A288 L290 I333 I334 T335A139-V145 HydrophobicContact CB-CG2 3.84Å; V145-V147 HydrophobicContact CG1-CG2 4.31Å; V145-T284 HydrophobicContact CG1-CG2 3.47Å; V145-T284 VanDerWaalsContact CG1-CG2 3.47Å; V145-L285 HydrophobicContact CB-CD2 4.4Å; V145-L285 HydrophobicContact CG1-CD2 4.32Å; V145-A288 HydrophobicContact CG2-CB 3.35Å; V145-L290 HydrophobicContact CB-CD2 4.17Å; V145-L290 HydrophobicContact CG2-CB 4.02Å; V145-L290 HydrophobicContact CG2-CD1 4.32Å; V145-L290 HydrophobicContact CG2-CD2 3.79Å; V145-L290 HydrophobicContact CG2-CG 4.24Å; V145-I333 PolarHBondContact N-O 3.37Å; V145-I334 WeakPolarHBondContact O-CA 3.27Å; V145-T335 PolarHBondContact O-N 3.43Å
146D96.2Very high93.1Very high61 Ų6150.3 Ų50.333%0.32626%0.263SS..EExtended strand (participates in β ladder)trans-102.5135.1175.8-55.5-45.9000110.4K138 T335K138-D146 IonicContact NZ-OD2 2.78Å; K138-D146 PolarHBondContact NZ-OD2 3.3Å; D146-T335 CarbonylContact C-O 3.48Å; D146-T335 WeakPolarHBondContact OD1-CB 3.46Å; D146-T335 PolarHBondContact OD1-OG1 2.85Å
147V97.1Very high93.2Very high1 Ų148.2 Ų48.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-123.7106.6177.2-171.90000108.4V145 F149 Q280 I281 T284 T335 L336 S337V145-V147 HydrophobicContact CG1-CG2 4.31Å; V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CE1 3.68Å; V147-F149 HydrophobicContact CG1-CZ 4.06Å; V147-Q280 HydrophobicContact CG1-CG 4.02Å; V147-I281 HydrophobicContact CG1-CG1 4.16Å; V147-T284 HydrophobicContact CG2-CG2 4.41Å; V147-T335 PolarHBondContact N-O 2.92Å; V147-L336 HydrophobicContact CB-CD2 3.81Å; V147-L336 HydrophobicContact CG2-CD2 4.01Å; V147-S337 PolarHBondContact O-N 2.91Å; V147-S337 PolarHBondContact O-OG 3.19Å
148V96.4Very high93.5Very high72 Ų7243.1 Ų43.144%0.43623%0.233SC..EExtended strand (participates in β ladder)trans-95117.4179.6-170.20000109.7Q280 E339V148-Q280 PolarHBondContact O-NE2 2.97Å; V148-E339 HydrophobicContact CG1-CB 3.89Å
149F96.3Very high93.7Very high0 Ų042 Ų420%023%0.227CC..EExtended strand (participates in β ladder)trans-88.8138.7174.6-59.8-50.4000111.4V147 G151 V153 F161 L263 L272 C277 Q280 I281 L336 S337 T338 E339V147-F149 HydrophobicContact CG1-CD1 4.3Å; V147-F149 HydrophobicContact CG1-CE1 3.68Å; V147-F149 HydrophobicContact CG1-CZ 4.06Å; F149-G151 PolarHBondContact O-N 3.4Å; F149-V153 HydrophobicContact CD2-CG1 3.85Å; F149-V153 HydrophobicContact CE2-CG1 4.25Å; F149-V153 HydrophobicContact CG-CG1 4.43Å; F149-F161 AromaticContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CZ 4.47Å; F149-F161 HydrophobicContact CZ-CE2 4.31Å; F149-L263 HydrophobicContact CD2-CD2 3.58Å; F149-L263 HydrophobicContact CE2-CD2 3.77Å; F149-L272 HydrophobicContact CB-CD1 3.79Å; F149-C277 HydrophobicContact CD1-CB 4.1Å; F149-C277 HydrophobicContact CE1-CB 3.56Å; F149-C277 HydrophobicContact CE2-CB 4.41Å; F149-C277 HydrophobicContact CZ-CB 3.76Å; F149-Q280 HydrophobicContact CE1-CB 4.44Å; F149-I281 HydrophobicContact CE1-CG1 4.24Å; F149-I281 HydrophobicContact CZ-CD1 3.93Å; F149-I281 HydrophobicContact CZ-CG1 3.86Å; F149-L336 HydrophobicContact CE2-CB 4.22Å; F149-L336 HydrophobicContact CZ-CD2 4.38Å; F149-S337 PolarHBondContact N-O 3.35Å; F149-T338 WeakPolarHBondContact O-CA 3.4Å; F149-E339 PolarHBondContact O-N 2.91Å
150P94.6Very high94.1Very high90 Ų9046.5 Ų46.558%0.58424%0.243SC*.SBendtrans-77.428.7-179.135-39.1000113.2L272P150-L272 HydrophobicContact CG-CD1 4.28Å
151G93.1Very high94.5Very high20 Ų2040.4 Ų40.421%0.20621%0.214CC..SBendtrans168166.3-172.800000113.1F149 L272 T338F149-G151 PolarHBondContact O-N 3.4Å; G151-L272 WeakPolarHBondContact O-CD1 3.41Å; G151-T338 VanDerWaalsContact O-CG2 3.32Å; G151-T338 WeakPolarHBondContact O-CG2 3.45Å; G151-T338 PolarHBondContact O-OG1 3.42Å
152A94Very high95Very high20 Ų2034.4 Ų34.417%0.16519%0.186CC..  trans-72.6152.1-178.800000112.4A264 A266 S271 L272A152-A264 CarbonylContact C-O 3.57Å; A152-A264 VanDerWaalsContact CA-O 3.27Å; A152-A264 WeakPolarHBondContact CA-O 3.25Å; A152-A264 HydrophobicContact CB-CB 3.77Å; A152-A264 WeakPolarHBondContact CB-O 3.35Å; A152-A266 HydrophobicContact CB-CB 3.78Å; A152-S271 WeakPolarHBondContact O-CA 3.19Å; A152-L272 PolarHBondContact O-N 2.64Å
153V94.9Very high95.4Very high0 Ų028.7 Ų28.70%016%0.16CC..BIsolated β-bridgetrans-111.3161.4-177.2-61.70000111.7F149 F161 L263 A264 L265 A266 L272F149-V153 HydrophobicContact CD2-CG1 3.85Å; F149-V153 HydrophobicContact CE2-CG1 4.25Å; F149-V153 HydrophobicContact CG-CG1 4.43Å; V153-F161 HydrophobicContact CB-CE2 4.24Å; V153-F161 HydrophobicContact CB-CZ 4.34Å; V153-F161 HydrophobicContact CG1-CE2 4.08Å; V153-F161 HydrophobicContact CG1-CZ 4.09Å; V153-F161 HydrophobicContact CG2-CE2 4.23Å; V153-L263 HydrophobicContact CG2-CB 4.45Å; V153-L263 HydrophobicContact CG2-CD1 4.05Å; V153-L263 HydrophobicContact CG2-CD2 4.38Å; V153-A264 PolarHBondContact N-O 2.89Å; V153-L265 HydrophobicContact CG2-CD2 3.95Å; V153-L265 WeakPolarHBondContact O-CA 3.44Å; V153-A266 PolarHBondContact O-N 3.15Å; V153-L272 HydrophobicContact CG1-CB 4.49Å
154T93.8Very high95.7Very high34 Ų3431.2 Ų31.221%0.20917%0.172CC..  trans-72.8152.3166.4590000110.8D156 G157 C158 S271T154-D156 VanDerWaalsContact C-N 3.34Å; T154-G157 WeakPolarHBondContact O-CA 3.38Å; T154-G157 PolarHBondContact O-N 2.72Å; T154-G157 PolarHBondContact OG1-N 3.32Å; T154-C158 PolarHBondContact O-N 3.04Å; T154-S271 VanDerWaalsContact CG2-CB 3.5Å; T154-S271 WeakPolarHBondContact CG2-OG 3.29Å
155H90.7Very high95.9Very high65 Ų6530.7 Ų30.730%0.30117%0.168SC..Hα-helixtrans-63.2-36.4170.3163.7-80000112.6G157 C158 F233 S236H155-G157 VanDerWaalsContact C-N 3.28Å; H155-G157 PolarHBondContact O-N 3.05Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 3.46Å; H155-C158 VanDerWaalsContact O-N 3.15Å; H155-F233 PolarHBondContact CE1-O 3.42Å; H155-F233 PolarHBondContact NE2-O 2.93Å; H155-S236 PolarHBondContact NE2-O 3.1Å
156D92.6Very high96Very high80 Ų8030.6 Ų30.643%0.42817%0.167SC..Hα-helixtrans-53-45.1164.6162.773.8000111.8T154 C158 Y159 R160T154-D156 VanDerWaalsContact C-N 3.34Å; D156-C158 PolarHBondContact O-N 3.24Å; D156-Y159 PolarHBondContact O-N 3.32Å; D156-Y159 VanDerWaalsContact O-N 3.13Å; D156-R160 WeakPolarHBondContact O-CG 3.37Å; D156-R160 PolarHBondContact O-N 3.43Å; D156-R160 VanDerWaalsContact OD2-CD 3.24Å; D156-R160 WeakPolarHBondContact OD2-CD 3.33Å; D156-R160 IonicContact OD2-NH1 2.71Å
157G95.2Very high96.1Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-53.7-41177.400000112.2T154 H155 R160 F161T154-G157 WeakPolarHBondContact O-CA 3.38Å; T154-G157 PolarHBondContact O-N 2.72Å; T154-G157 PolarHBondContact OG1-N 3.32Å; H155-G157 VanDerWaalsContact C-N 3.28Å; H155-G157 PolarHBondContact O-N 3.05Å; G157-R160 CarbonylContact O-C 3.54Å; G157-R160 WeakPolarHBondContact O-CA 3.23Å; G157-R160 WeakPolarHBondContact O-CB 3.42Å; G157-R160 PolarHBondContact O-N 3.45Å; G157-R160 VanDerWaalsContact O-N 3.12Å; G157-F161 WeakPolarHBondContact O-CD1 3.42Å; G157-F161 WeakPolarHBondContact O-CD2 3.38Å; G157-F161 WeakPolarHBondContact O-CE1 3.44Å; G157-F161 WeakPolarHBondContact O-CG 3.27Å; G157-F161 PolarHBondContact O-N 3.45Å
158C96.6Very high96Very high8 Ų830.2 Ų30.25%0.05417%0.166CC..Hα-helixtrans-63.5-42.7178.7-57.60000112.8T154 H155 D156 R160 F161 V162 F233 M260T154-C158 PolarHBondContact O-N 3.04Å; H155-C158 WeakPolarHBondContact O-CB 3.48Å; H155-C158 PolarHBondContact O-N 3.46Å; H155-C158 VanDerWaalsContact O-N 3.15Å; D156-C158 PolarHBondContact O-N 3.24Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.03Å; C158-F161 PolarHBondContact O-N 2.84Å; C158-V162 PolarHBondContact O-N 3.37Å; C158-V162 VanDerWaalsContact O-N 3.11Å; C158-F233 HydrophobicContact CB-CD1 4.18Å; C158-F233 HydrophobicContact CB-CE1 3.73Å; C158-M260 HydrophobicContact CB-SD 3.87Å
159Y96.6Very high96Very high26 Ų2626.8 Ų26.810%0.10215%0.145CC..Hα-helixtrans-61.4-42.4171.4156.6-115.4000110.9D156 F161 V162 S163 L226 L229 E230D156-Y159 PolarHBondContact O-N 3.32Å; D156-Y159 VanDerWaalsContact O-N 3.13Å; Y159-F161 VanDerWaalsContact C-N 3.32Å; Y159-F161 PolarHBondContact O-N 2.85Å; Y159-V162 PolarHBondContact O-N 3.02Å; Y159-S163 WeakPolarHBondContact O-CB 3.42Å; Y159-S163 PolarHBondContact O-N 3.35Å; Y159-S163 PolarHBondContact O-OG 3.42Å; Y159-L226 WeakPolarHBondContact CE2-O 3.34Å; Y159-L226 PolarHBondContact OH-O 2.94Å; Y159-L229 HydrophobicContact CD2-CB 4.15Å; Y159-L229 HydrophobicContact CE2-CB 4.05Å; Y159-E230 HydrophobicContact CD1-CB 4.15Å; Y159-E230 HydrophobicContact CD1-CG 3.78Å; Y159-E230 HydrophobicContact CD2-CB 4.22Å; Y159-E230 HydrophobicContact CE1-CB 3.69Å; Y159-E230 HydrophobicContact CE1-CG 3.4Å; Y159-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y159-E230 HydrophobicContact CE2-CB 3.8Å; Y159-E230 HydrophobicContact CE2-CG 4.43Å; Y159-E230 HydrophobicContact CG-CB 4.39Å; Y159-E230 HydrophobicContact CG-CG 4.41Å; Y159-E230 VanDerWaalsContact CZ-CB 3.48Å; Y159-E230 VanDerWaalsContact CZ-OE2 3.22Å; Y159-E230 PolarHBondContact OH-OE2 2.88Å
160R97.6Very high96Very high104 Ų10426.8 Ų26.839%0.39215%0.145SC..Hα-helixtrans-65-33.5178.5-66.2-17865.6179.33.6112.8D156 G157 C158 S163 E164D156-R160 WeakPolarHBondContact O-CG 3.37Å; D156-R160 PolarHBondContact O-N 3.43Å; D156-R160 VanDerWaalsContact OD2-CD 3.24Å; D156-R160 WeakPolarHBondContact OD2-CD 3.33Å; D156-R160 IonicContact OD2-NH1 2.71Å; G157-R160 CarbonylContact O-C 3.54Å; G157-R160 WeakPolarHBondContact O-CA 3.23Å; G157-R160 WeakPolarHBondContact O-CB 3.42Å; G157-R160 PolarHBondContact O-N 3.45Å; G157-R160 VanDerWaalsContact O-N 3.12Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 3.03Å; R160-S163 VanDerWaalsContact CA-OG 3.29Å; R160-S163 WeakPolarHBondContact CA-OG 3.39Å; R160-S163 PolarHBondContact O-OG 2.92Å; R160-E164 WeakPolarHBondContact O-CG 3.4Å; R160-E164 PolarHBondContact O-N 2.95Å
161F98.4Very high96Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-65.6-50.8172.5-53.6-23.5000110.5F149 V153 G157 C158 Y159 S163 I165 A274 C277 L278 I281 L336F149-F161 AromaticContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CE2 3.98Å; F149-F161 HydrophobicContact CE2-CZ 4.47Å; F149-F161 HydrophobicContact CZ-CE2 4.31Å; V153-F161 HydrophobicContact CB-CE2 4.24Å; V153-F161 HydrophobicContact CB-CZ 4.34Å; V153-F161 HydrophobicContact CG1-CE2 4.08Å; V153-F161 HydrophobicContact CG1-CZ 4.09Å; V153-F161 HydrophobicContact CG2-CE2 4.23Å; G157-F161 WeakPolarHBondContact O-CD1 3.42Å; G157-F161 WeakPolarHBondContact O-CD2 3.38Å; G157-F161 WeakPolarHBondContact O-CE1 3.44Å; G157-F161 WeakPolarHBondContact O-CG 3.27Å; G157-F161 PolarHBondContact O-N 3.45Å; C158-F161 PolarHBondContact O-N 2.84Å; Y159-F161 VanDerWaalsContact C-N 3.32Å; Y159-F161 PolarHBondContact O-N 2.85Å; F161-S163 PolarHBondContact O-N 3.36Å; F161-I165 VanDerWaalsContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CD1 3.41Å; F161-I165 WeakPolarHBondContact O-CG1 3.27Å; F161-I165 PolarHBondContact O-N 3.16Å; F161-A274 HydrophobicContact CE1-CB 4.08Å; F161-C277 HydrophobicContact CD1-CB 4.45Å; F161-C277 HydrophobicContact CE1-CB 3.43Å; F161-C277 VanDerWaalsContact CE1-CB 3.43Å; F161-C277 HydrophobicContact CE2-CB 4.36Å; F161-C277 HydrophobicContact CZ-CB 3.37Å; F161-L278 HydrophobicContact CD1-CD2 3.86Å; F161-L278 HydrophobicContact CD1-CG 3.89Å; F161-L278 HydrophobicContact CE1-CG 4.23Å; F161-I281 HydrophobicContact CB-CD1 3.87Å; F161-I281 HydrophobicContact CD1-CD1 3.78Å; F161-I281 HydrophobicContact CD2-CD1 4.25Å; F161-I281 HydrophobicContact CE1-CD1 4.46Å; F161-I281 HydrophobicContact CG-CD1 3.68Å; F161-L336 HydrophobicContact CB-CD1 3.99Å; F161-L336 HydrophobicContact CD2-CD1 3.79Å; F161-L336 HydrophobicContact CG-CD1 4.22Å
162V98.6Very high96Very high2 Ų230.4 Ų30.41%0.01215%0.146CC..Hα-helixtrans-63-42.4-179.6168.10000112.6C158 Y159 L166 F233 V241 V258 M260C158-V162 PolarHBondContact O-N 3.37Å; C158-V162 VanDerWaalsContact O-N 3.11Å; Y159-V162 PolarHBondContact O-N 3.02Å; V162-L166 VanDerWaalsContact O-CB 3.24Å; V162-L166 WeakPolarHBondContact O-CB 3.49Å; V162-L166 PolarHBondContact O-N 2.84Å; V162-F233 HydrophobicContact CB-CZ 4.33Å; V162-F233 HydrophobicContact CG2-CZ 4Å; V162-V241 HydrophobicContact CG1-CB 4.22Å; V162-V241 HydrophobicContact CG1-CG1 3.89Å; V162-V241 HydrophobicContact CG1-CG2 4.08Å; V162-V241 HydrophobicContact CG2-CB 4.31Å; V162-V241 HydrophobicContact CG2-CG2 3.92Å; V162-V258 HydrophobicContact CG2-CB 4.34Å; V162-V258 HydrophobicContact CG2-CG1 4.1Å; V162-M260 HydrophobicContact CG2-CE 3.47Å; V162-M260 VanDerWaalsContact CG2-CE 3.47Å; V162-M260 HydrophobicContact CG2-SD 4Å
163S98.3Very high95.9Very high5 Ų529.7 Ų29.74%0.03514%0.139CC..Hα-helixtrans-67.1-43.1-179.346.50000112.8Y159 R160 F161 L166 K167 L226Y159-S163 WeakPolarHBondContact O-CB 3.42Å; Y159-S163 PolarHBondContact O-N 3.35Å; Y159-S163 PolarHBondContact O-OG 3.42Å; R160-S163 VanDerWaalsContact CA-OG 3.29Å; R160-S163 WeakPolarHBondContact CA-OG 3.39Å; R160-S163 PolarHBondContact O-OG 2.92Å; F161-S163 PolarHBondContact O-N 3.36Å; S163-L166 PolarHBondContact O-N 2.72Å; S163-K167 VanDerWaalsContact O-CG 3.31Å; S163-K167 WeakPolarHBondContact O-CG 3.49Å; S163-K167 PolarHBondContact O-N 3.04Å; S163-L226 VanDerWaalsContact CB-CD2 3.44Å
164E98.4Very high95.8Very high54 Ų5435.3 Ų35.325%0.25217%0.165SC..Hα-helixtrans-70.5-38.8175-61.8-50.6140.400112.3R160 L166 K167 C168 L278 F282R160-E164 WeakPolarHBondContact O-CG 3.4Å; R160-E164 PolarHBondContact O-N 2.95Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.71Å; E164-K167 PolarHBondContact O-N 3.12Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.22Å; E164-K167 WeakPolarHBondContact OE2-CD 3.3Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 3.32Å; E164-C168 VanDerWaalsContact O-CB 3.31Å; E164-C168 WeakPolarHBondContact O-CB 3.4Å; E164-C168 PolarHBondContact O-N 2.89Å; E164-L278 HydrophobicContact CB-CD2 3.76Å; E164-L278 HydrophobicContact CG-CD1 4.1Å; E164-L278 HydrophobicContact CG-CD2 3.9Å; E164-F282 HydrophobicContact CB-CE2 3.87Å; E164-F282 HydrophobicContact CB-CZ 3.84Å
165I98.4Very high95.7Very high0 Ų033.8 Ų33.80%016%0.155CC..Hα-helixtrans-60-43.3173.1-71.5166.3000110.4F161 C168 I169 V258 I281 I334F161-I165 VanDerWaalsContact O-CB 3.28Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CD1 3.41Å; F161-I165 WeakPolarHBondContact O-CG1 3.27Å; F161-I165 PolarHBondContact O-N 3.16Å; I165-C168 PolarHBondContact O-N 3.06Å; I165-I169 HydrophobicContact CG2-CD1 3.54Å; I165-I169 HydrophobicContact CG2-CG1 4.28Å; I165-I169 WeakPolarHBondContact O-CB 3.3Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.42Å; I165-I169 PolarHBondContact O-N 3.05Å; I165-V258 HydrophobicContact CB-CG2 4.45Å; I165-V258 HydrophobicContact CD1-CG1 4.1Å; I165-V258 HydrophobicContact CD1-CG2 4.01Å; I165-V258 HydrophobicContact CG2-CG2 3.78Å; I165-I281 HydrophobicContact CD1-CG2 4.08Å; I165-I281 HydrophobicContact CG1-CG2 4.15Å; I165-I334 HydrophobicContact CD1-CG2 4.4Å; I165-I334 HydrophobicContact CG2-CD1 3.85Å
166L98.1Very high95.9Very high1 Ų130.8 Ų30.81%0.00514%0.142CC..Hα-helixtrans-59.9-48.9175.817262.8000112.2V162 S163 E164 C168 I169 L170 L222 L225 L226 L229 L243 V304V162-L166 VanDerWaalsContact O-CB 3.24Å; V162-L166 WeakPolarHBondContact O-CB 3.49Å; V162-L166 PolarHBondContact O-N 2.84Å; S163-L166 PolarHBondContact O-N 2.72Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 2.71Å; L166-C168 VanDerWaalsContact C-N 3.31Å; L166-C168 PolarHBondContact O-N 3.43Å; L166-I169 PolarHBondContact O-N 3.07Å; L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.06Å; L166-L170 HydrophobicContact CG-CD1 4.1Å; L166-L170 WeakPolarHBondContact O-CB 3.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.76Å; L166-L222 HydrophobicContact CD2-CD1 4.12Å; L166-L222 HydrophobicContact CG-CD1 4.45Å; L166-L225 HydrophobicContact CD2-CD2 4.08Å; L166-L226 HydrophobicContact CD2-CD2 4.12Å; L166-L229 HydrophobicContact CD2-CD1 4.13Å; L166-L243 HydrophobicContact CB-CD2 4.4Å; L166-L243 HydrophobicContact CD1-CD2 3.48Å; L166-L243 VanDerWaalsContact CD1-CD2 3.48Å; L166-L243 HydrophobicContact CD1-CG 4.04Å; L166-V304 HydrophobicContact CD1-CG2 4.12Å
167K97.8Very high95.8Very high26 Ų2629.1 Ų29.111%0.11314%0.135CC..Hα-helixtrans-58.9-43175.4-68.3166.4-175.71800111.5S163 E164 Y171 Y180S163-K167 VanDerWaalsContact O-CG 3.31Å; S163-K167 WeakPolarHBondContact O-CG 3.49Å; S163-K167 PolarHBondContact O-N 3.04Å; E164-K167 PolarHBondContact O-N 3.12Å; E164-K167 IonicContact OE1-NZ 2.84Å; E164-K167 PolarHBondContact OE1-NZ 3.22Å; E164-K167 WeakPolarHBondContact OE2-CD 3.3Å; E164-K167 IonicContact OE2-NZ 2.88Å; E164-K167 PolarHBondContact OE2-NZ 3.32Å; K167-Y171 PolarHBondContact O-N 3.09Å; K167-Y171 VanDerWaalsContact O-N 3.1Å; K167-Y180 HydrophobicContact CD-CD1 3.78Å; K167-Y180 HydrophobicContact CD-CE1 4.5Å; K167-Y180 HydrophobicContact CD-CG 3.9Å; K167-Y180 VanDerWaalsContact CE-CD1 3.41Å; K167-Y180 HydrophobicContact CG-CD1 4.31Å; K167-Y180 HydrophobicContact CG-CD2 4.4Å; K167-Y180 HydrophobicContact CG-CG 3.92Å
168C96.7Very high95.7Very high28 Ų2831.6 Ų31.619%0.18915%0.147CC..Hα-helixtrans-64.9-48179.9-169.20000111.7E164 I165 L166 L170 Y171 Q172 F282 L291E164-C168 VanDerWaalsContact O-CB 3.31Å; E164-C168 WeakPolarHBondContact O-CB 3.4Å; E164-C168 PolarHBondContact O-N 2.89Å; I165-C168 PolarHBondContact O-N 3.06Å; L166-C168 VanDerWaalsContact C-N 3.31Å; L166-C168 PolarHBondContact O-N 3.43Å; C168-L170 PolarHBondContact O-N 3.06Å; C168-Y171 PolarHBondContact O-N 3.3Å; C168-Q172 WeakPolarHBondContact O-CB 3.29Å; C168-Q172 WeakPolarHBondContact O-CG 3.43Å; C168-Q172 PolarHBondContact O-N 2.71Å; C168-F282 HydrophobicContact CB-CE1 3.64Å; C168-F282 HydrophobicContact CB-CZ 4.05Å; C168-L291 HydrophobicContact CB-CD1 4.47Å
169I95.7Very high95.7Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-60.8-46.7177-69.9167.9000110.7I165 L166 Y171 Q172 R173 L243 M245 Y256 L291I165-I169 HydrophobicContact CG2-CD1 3.54Å; I165-I169 HydrophobicContact CG2-CG1 4.28Å; I165-I169 WeakPolarHBondContact O-CB 3.3Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.42Å; I165-I169 PolarHBondContact O-N 3.05Å; L166-I169 PolarHBondContact O-N 3.07Å; I169-Y171 VanDerWaalsContact C-N 3.25Å; I169-Y171 PolarHBondContact O-N 3.43Å; I169-Q172 PolarHBondContact O-N 2.75Å; I169-R173 HydrophobicContact CG2-CG 4.07Å; I169-R173 WeakPolarHBondContact O-CB 3.19Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.96Å; I169-L243 HydrophobicContact CB-CD2 4.12Å; I169-L243 HydrophobicContact CD1-CD2 3.77Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; I169-M245 HydrophobicContact CG2-SD 4.18Å; I169-Y256 HydrophobicContact CD1-CD1 3.77Å; I169-Y256 HydrophobicContact CD1-CG 3.86Å; I169-Y256 HydrophobicContact CG1-CD1 4.15Å; I169-Y256 HydrophobicContact CG2-CD1 4.29Å; I169-Y256 HydrophobicContact CG2-CD2 4.03Å; I169-Y256 HydrophobicContact CG2-CE1 4.34Å; I169-Y256 HydrophobicContact CG2-CE2 4.13Å; I169-Y256 HydrophobicContact CG2-CG 4.17Å; I169-L291 HydrophobicContact CD1-CD2 4.35Å; I169-L291 HydrophobicContact CG1-CD1 3.9Å; I169-L291 HydrophobicContact CG1-CD2 3.81Å
170L95.4Very high95.6Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-60.9-33.6178.2-72173000112.8L166 C168 Q175 L176 L222 T302 I360L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.06Å; L166-L170 HydrophobicContact CG-CD1 4.1Å; L166-L170 WeakPolarHBondContact O-CB 3.12Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.12Å; L166-L170 PolarHBondContact O-N 2.76Å; C168-L170 PolarHBondContact O-N 3.06Å; L170-Q175 HydrophobicContact CB-CB 4.47Å; L170-Q175 HydrophobicContact CD2-CB 3.97Å; L170-Q175 HydrophobicContact CD2-CG 4.18Å; L170-Q175 WeakPolarHBondContact O-CA 3.29Å; L170-Q175 WeakPolarHBondContact O-CB 3.2Å; L170-Q175 PolarHBondContact O-N 3.16Å; L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 4.04Å; L170-L176 PolarHBondContact O-N 2.99Å; L170-L176 VanDerWaalsContact O-N 3.17Å; L170-L222 HydrophobicContact CD1-CD1 3.82Å; L170-L222 HydrophobicContact CD1-CD2 3.96Å; L170-T302 HydrophobicContact CD2-CG2 4.1Å; L170-I360 HydrophobicContact CD1-CG2 4.42Å
171Y94.6Very high95.5Very high94 Ų9432.8 Ų32.837%0.36916%0.162SC..Hα-helixtrans-75.8-52.5174.9177.1-121.4000112.7K167 C168 I169 R173 Q174 T179K167-Y171 PolarHBondContact O-N 3.09Å; K167-Y171 VanDerWaalsContact O-N 3.1Å; C168-Y171 PolarHBondContact O-N 3.3Å; I169-Y171 VanDerWaalsContact C-N 3.25Å; I169-Y171 PolarHBondContact O-N 3.43Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.06Å; Y171-Q174 WeakPolarHBondContact O-CA 3.35Å; Y171-Q174 PolarHBondContact O-N 3.48Å; Y171-T179 HydrophobicContact CD1-CG2 3.97Å; Y171-T179 HydrophobicContact CE1-CG2 3.91Å; Y171-T179 HydrophobicContact CG-CG2 4.3Å
172Q93.1Very high95.4Very high92 Ų9237.5 Ų37.543%0.4318%0.184SC..Hα-helixtrans-63.3-32.6-179.3-65.8-66.78.300112.5C168 I169 Q174 L291C168-Q172 WeakPolarHBondContact O-CB 3.29Å; C168-Q172 WeakPolarHBondContact O-CG 3.43Å; C168-Q172 PolarHBondContact O-N 2.71Å; I169-Q172 PolarHBondContact O-N 2.75Å; Q172-Q174 PolarHBondContact O-N 3.11Å; Q172-L291 HydrophobicContact CB-CB 4.13Å; Q172-L291 HydrophobicContact CG-CB 4.23Å; Q172-L291 HydrophobicContact CG-CD1 4.37Å
173R92.4Very high95.1Very high5 Ų537.5 Ų37.52%0.01918%0.184CC..THydrogen-bonded Turntrans-88.523.6172.5-53.5-50.7-62.3145-5.5112.9I169 Y171 Q175 M245 E254 Y256 L291 D293 V297I169-R173 HydrophobicContact CG2-CG 4.07Å; I169-R173 WeakPolarHBondContact O-CB 3.19Å; I169-R173 VanDerWaalsContact O-CG 3.29Å; I169-R173 WeakPolarHBondContact O-CG 3.45Å; I169-R173 PolarHBondContact O-N 2.96Å; Y171-R173 VanDerWaalsContact C-N 3.26Å; Y171-R173 PolarHBondContact O-N 3.06Å; R173-Q175 WeakPolarHBondContact O-CG 3.44Å; R173-Q175 PolarHBondContact O-N 3.36Å; R173-Q175 PolarHBondContact O-NE2 3.31Å; R173-M245 HydrophobicContact CB-CE 3.71Å; R173-M245 HydrophobicContact CB-SD 4.09Å; R173-M245 HydrophobicContact CG-CE 4.36Å; R173-M245 HydrophobicContact CG-SD 4.06Å; R173-E254 IonicContact CZ-OE1 3.08Å; R173-E254 IonicContact CZ-OE2 3.88Å; R173-E254 IonicContact NE-OE1 2.7Å; R173-E254 IonicContact NE-OE2 3.53Å; R173-E254 PolarHBondContact NE-OE2 3.11Å; R173-E254 VanDerWaalsContact NH2-CD 3.35Å; R173-E254 IonicContact NH2-OE1 2.71Å; R173-E254 PolarHBondContact NH2-OE1 3.29Å; R173-E254 IonicContact NH2-OE2 3.15Å; R173-E254 PolarHBondContact NH2-OE2 3.24Å; R173-Y256 WeakPolarHBondContact CD-OH 3.49Å; R173-Y256 HydrophobicContact CG-CE2 4.41Å; R173-Y256 PolarHBondContact NE-OH 2.8Å; R173-L291 WeakPolarHBondContact CD-O 3.39Å; R173-D293 IonicContact CZ-OD2 2.69Å; R173-D293 IonicContact NH1-OD2 2.77Å; R173-D293 IonicContact NH2-OD2 2.9Å; R173-D293 PolarHBondContact NH2-OD2 3.26Å; R173-V297 WeakPolarHBondContact O-CG1 3.43Å
174Q92.2Very high94.8Very high118 Ų11838 Ų3855%0.55119%0.187SC*.THydrogen-bonded Turntrans49.131.2169.8-47.8179.59.500115Y171 Q172 V297 L299Y171-Q174 WeakPolarHBondContact O-CA 3.35Å; Y171-Q174 PolarHBondContact O-N 3.48Å; Q172-Q174 PolarHBondContact O-N 3.11Å; Q174-V297 HydrophobicContact CB-CB 4.25Å; Q174-V297 HydrophobicContact CB-CG1 3.83Å; Q174-V297 HydrophobicContact CG-CB 4.27Å; Q174-V297 HydrophobicContact CG-CG1 4.24Å; Q174-V297 HydrophobicContact CG-CG2 4.24Å; Q174-L299 WeakPolarHBondContact O-CD2 3.22Å
175Q93.2Very high94.6Very high1 Ų142.4 Ų42.41%0.00520%0.202CC..SBendtrans-86.1-19.1172.2-52.7-53.3-47.300111.4L170 R173 M245 R298 M300 G362 F363L170-Q175 HydrophobicContact CB-CB 4.47Å; L170-Q175 HydrophobicContact CD2-CB 3.97Å; L170-Q175 HydrophobicContact CD2-CG 4.18Å; L170-Q175 WeakPolarHBondContact O-CA 3.29Å; L170-Q175 WeakPolarHBondContact O-CB 3.2Å; L170-Q175 PolarHBondContact O-N 3.16Å; R173-Q175 WeakPolarHBondContact O-CG 3.44Å; R173-Q175 PolarHBondContact O-N 3.36Å; R173-Q175 PolarHBondContact O-NE2 3.31Å; Q175-M245 HydrophobicContact CG-CE 3.42Å; Q175-M245 VanDerWaalsContact CG-CE 3.42Å; Q175-R298 PolarHBondContact NE2-O 3.48Å; Q175-M300 PolarHBondContact OE1-O 3.42Å; Q175-M300 VanDerWaalsContact OE1-O 3.09Å; Q175-G362 CarbonylContact O-C 3.6Å; Q175-G362 WeakPolarHBondContact O-CA 3.35Å; Q175-F363 PolarHBondContact O-N 2.83Å
176L93.4Very high94.1Very high3 Ų344 Ų442%0.01621%0.214CC..SBendtrans-120.6134.3171.5-59.2175.4000108.6L170 M178 L183 T218 L222 F363L170-L176 HydrophobicContact CB-CD1 3.81Å; L170-L176 HydrophobicContact CB-CG 4.04Å; L170-L176 PolarHBondContact O-N 2.99Å; L170-L176 VanDerWaalsContact O-N 3.17Å; L176-M178 VanDerWaalsContact C-N 3.26Å; L176-M178 WeakPolarHBondContact CB-O 3.18Å; L176-M178 PolarHBondContact O-N 3.06Å; L176-L183 HydrophobicContact CB-CD1 4.07Å; L176-L183 HydrophobicContact CD1-CD1 4.41Å; L176-L183 HydrophobicContact CD2-CD1 3.88Å; L176-L183 HydrophobicContact CG-CD1 4.33Å; L176-T218 HydrophobicContact CD2-CG2 4.2Å; L176-L222 HydrophobicContact CD1-CD2 4.12Å; L176-F363 HydrophobicContact CD2-CD1 4.42Å; L176-F363 HydrophobicContact CD2-CE1 3.79Å
177P91.6Very high93.5Very high45 Ų4545.2 Ų45.229%0.29222%0.219SC..SBendtrans-78.3-8.4-175.631.6-35.8000114L183 F363P177-L183 HydrophobicContact CG-CD2 4.29Å; P177-F363 VanDerWaalsContact CD-CZ 3.49Å; P177-F363 HydrophobicContact CG-CD2 4.1Å; P177-F363 HydrophobicContact CG-CE2 3.51Å; P177-F363 HydrophobicContact CG-CZ 3.91Å
178M93.2Very high93Very high52 Ų5249.8 Ų49.826%0.25624%0.239SC..SBendtrans-155.1176.4172.368.1-17370.300108.3L176 Q182 L183L176-M178 VanDerWaalsContact C-N 3.26Å; L176-M178 WeakPolarHBondContact CB-O 3.18Å; L176-M178 PolarHBondContact O-N 3.06Å; M178-Q182 HydrophobicContact CB-CB 4.28Å; M178-Q182 HydrophobicContact CG-CB 3.84Å; M178-Q182 HydrophobicContact SD-CB 3.82Å; M178-L183 HydrophobicContact CE-CD2 4.36Å; M178-L183 HydrophobicContact CG-CB 4.46Å; M178-L183 HydrophobicContact CG-CD2 3.53Å; M178-L183 HydrophobicContact CG-CG 3.54Å; M178-L183 HydrophobicContact SD-CD2 3.96Å; M178-L183 HydrophobicContact SD-CG 4.35Å
179T95.3Very high92.6Very high43 Ų4354.4 Ų54.426%0.26426%0.256SS..  trans-65.9156.7-178.274.70000111.8Y171 D181 Q182 L183Y171-T179 HydrophobicContact CD1-CG2 3.97Å; Y171-T179 HydrophobicContact CE1-CG2 3.91Å; Y171-T179 HydrophobicContact CG-CG2 4.3Å; T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact O-N 2.99Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 2.89Å; T179-Q182 VanDerWaalsContact O-N 3.14Å; T179-Q182 VanDerWaalsContact OG1-CG 3.27Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.31Å; T179-Q182 PolarHBondContact OG1-OE1 2.61Å; T179-L183 PolarHBondContact O-N 3.45Å
180Y96.1Very high92Very high27 Ų2757.8 Ų57.811%0.10627%0.274CS..Hα-helixtrans-51.7-48.4179.5173.8-95.6000112.8K167 Q182 L183 V184 L219 L222 E223 L226K167-Y180 HydrophobicContact CD-CD1 3.78Å; K167-Y180 HydrophobicContact CD-CE1 4.5Å; K167-Y180 HydrophobicContact CD-CG 3.9Å; K167-Y180 VanDerWaalsContact CE-CD1 3.41Å; K167-Y180 HydrophobicContact CG-CD1 4.31Å; K167-Y180 HydrophobicContact CG-CD2 4.4Å; K167-Y180 HydrophobicContact CG-CG 3.92Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.3Å; Y180-L183 WeakPolarHBondContact O-CB 3.4Å; Y180-L183 PolarHBondContact O-N 2.8Å; Y180-V184 HydrophobicContact CD1-CG2 4.37Å; Y180-V184 HydrophobicContact CE1-CG2 3.96Å; Y180-V184 HydrophobicContact CE2-CG2 4.13Å; Y180-V184 WeakPolarHBondContact O-CG2 3.36Å; Y180-V184 PolarHBondContact O-N 3.33Å; Y180-L219 HydrophobicContact CD2-CD2 4.35Å; Y180-L219 HydrophobicContact CE2-CD2 4.44Å; Y180-L222 HydrophobicContact CD2-CD2 3.67Å; Y180-L222 HydrophobicContact CD2-CG 4.28Å; Y180-L222 HydrophobicContact CE2-CD2 4.01Å; Y180-L222 HydrophobicContact CE2-CG 4.14Å; Y180-E223 HydrophobicContact CE2-CG 4.44Å; Y180-E223 VanDerWaalsContact OH-CG 3.31Å; Y180-E223 WeakPolarHBondContact OH-CG 3.42Å; Y180-L226 HydrophobicContact CE2-CD1 3.95Å
181D95.4Very high91.4Very high93 Ų9362.3 Ų62.350%0.49730%0.295SS..Hα-helixtrans-69.9-31-178-48.8-71.3000112.4T179 Y185T179-D181 VanDerWaalsContact C-N 3.33Å; T179-D181 PolarHBondContact O-N 2.99Å; D181-Y185 VanDerWaalsContact O-CB 3.25Å; D181-Y185 WeakPolarHBondContact O-CB 3.42Å; D181-Y185 PolarHBondContact O-N 3.22Å
182Q94.8Very high90.8Very high99 Ų9961.9 Ų61.946%0.46330%0.302SS..Hα-helixtrans-67.2-41172.2-71.4171.1-14.800111.4M178 T179 Y180 S186M178-Q182 HydrophobicContact CB-CB 4.28Å; M178-Q182 HydrophobicContact CG-CB 3.84Å; M178-Q182 HydrophobicContact SD-CB 3.82Å; T179-Q182 WeakPolarHBondContact O-CB 3.45Å; T179-Q182 PolarHBondContact O-N 2.89Å; T179-Q182 VanDerWaalsContact O-N 3.14Å; T179-Q182 VanDerWaalsContact OG1-CG 3.27Å; T179-Q182 WeakPolarHBondContact OG1-CG 3.31Å; T179-Q182 PolarHBondContact OG1-OE1 2.61Å; Y180-Q182 VanDerWaalsContact C-N 3.33Å; Y180-Q182 PolarHBondContact O-N 3.3Å; Q182-S186 WeakPolarHBondContact O-CB 3.07Å; Q182-S186 PolarHBondContact O-N 2.97Å
183L93.1Very high90.1Very high2 Ų259.8 Ų59.81%0.0130%0.297CS..Hα-helixtrans-61.1-53.1173.4-75.5176000111.3L176 P177 M178 T179 Y180 Y185 S186 Q187 L219 F363L176-L183 HydrophobicContact CB-CD1 4.07Å; L176-L183 HydrophobicContact CD1-CD1 4.41Å; L176-L183 HydrophobicContact CD2-CD1 3.88Å; L176-L183 HydrophobicContact CG-CD1 4.33Å; P177-L183 HydrophobicContact CG-CD2 4.29Å; M178-L183 HydrophobicContact CE-CD2 4.36Å; M178-L183 HydrophobicContact CG-CB 4.46Å; M178-L183 HydrophobicContact CG-CD2 3.53Å; M178-L183 HydrophobicContact CG-CG 3.54Å; M178-L183 HydrophobicContact SD-CD2 3.96Å; M178-L183 HydrophobicContact SD-CG 4.35Å; T179-L183 PolarHBondContact O-N 3.45Å; Y180-L183 WeakPolarHBondContact O-CB 3.4Å; Y180-L183 PolarHBondContact O-N 2.8Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; L183-Y185 PolarHBondContact O-N 3.1Å; L183-S186 PolarHBondContact O-N 2.98Å; L183-S186 PolarHBondContact O-OG 2.85Å; L183-Q187 PolarHBondContact O-N 2.86Å; L183-L219 HydrophobicContact CB-CD1 3.93Å; L183-L219 HydrophobicContact CB-CD2 3.74Å; L183-L219 HydrophobicContact CB-CG 4.38Å; L183-L219 HydrophobicContact CD1-CD2 3.88Å; L183-L219 HydrophobicContact CD1-CG 4.45Å; L183-L219 HydrophobicContact CG-CD2 4.44Å; L183-F363 HydrophobicContact CD1-CE1 4.36Å; L183-F363 HydrophobicContact CD1-CZ 4.01Å; L183-F363 HydrophobicContact CD2-CZ 4Å
184V92.8Very high89Confident15 Ų1566 Ų669%0.09133%0.325CS..Hα-helixtrans-58.4-41.6178.41710000111.7Y180 K188 L219Y180-V184 HydrophobicContact CD1-CG2 4.37Å; Y180-V184 HydrophobicContact CE1-CG2 3.96Å; Y180-V184 HydrophobicContact CE2-CG2 4.13Å; Y180-V184 WeakPolarHBondContact O-CG2 3.36Å; Y180-V184 PolarHBondContact O-N 3.33Å; V184-K188 HydrophobicContact CG1-CD 3.99Å; V184-K188 VanDerWaalsContact CG1-NZ 3.33Å; V184-K188 WeakPolarHBondContact O-CB 3.3Å; V184-K188 WeakPolarHBondContact O-CG 3.37Å; V184-K188 PolarHBondContact O-N 3.28Å; V184-K188 VanDerWaalsContact O-N 3.09Å; V184-L219 HydrophobicContact CG2-CD2 4.44Å
185Y92.5Very high87.7Confident146 Ų14668.4 Ų68.457%0.57334%0.336SS*.Hα-helixtrans-62.7-45.2173.3173.7-96.1000112D181 L183 Q187 K188 K189D181-Y185 VanDerWaalsContact O-CB 3.25Å; D181-Y185 WeakPolarHBondContact O-CB 3.42Å; D181-Y185 PolarHBondContact O-N 3.22Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; L183-Y185 PolarHBondContact O-N 3.1Å; Y185-Q187 VanDerWaalsContact C-N 3.34Å; Y185-Q187 PolarHBondContact O-N 3.5Å; Y185-K188 PolarHBondContact O-N 2.98Å; Y185-K189 HydrophobicContact CE1-CD 3.91Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 3.44Å
186S88.3Confident86.2Confident34 Ų3476.3 Ų76.324%0.23837%0.373CS..Hα-helixtrans-62.5-40.9179.879.70000112Q182 L183 K189 L190Q182-S186 WeakPolarHBondContact O-CB 3.07Å; Q182-S186 PolarHBondContact O-N 2.97Å; L183-S186 PolarHBondContact O-N 2.98Å; L183-S186 PolarHBondContact O-OG 2.85Å; S186-K189 PolarHBondContact O-N 2.86Å; S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.27Å; S186-L190 WeakPolarHBondContact O-CG 3.34Å; S186-L190 PolarHBondContact O-N 2.98Å
187Q86.6Confident84.6Confident26 Ų2684.7 Ų84.712%0.12140%0.404CS..Hα-helixtrans-64.2-49.1177.9-173-178.73.200111.3L183 Y185 K189 L190 Q191 H216 L219L183-Q187 PolarHBondContact O-N 2.86Å; Y185-Q187 VanDerWaalsContact C-N 3.34Å; Y185-Q187 PolarHBondContact O-N 3.5Å; Q187-K189 PolarHBondContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 2.77Å; Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 3.17Å; Q187-H216 PolarHBondContact NE2-CD2 3.04Å; Q187-H216 VanDerWaalsContact NE2-CD2 3.32Å; Q187-L219 VanDerWaalsContact OE1-CD1 3.32Å
188K87.8Confident82.7Confident122 Ų12284.9 Ų84.953%0.5342%0.415SS..Hα-helixtrans-58.9-46.6175.8-73.1169.5-179.7170.60111.4V184 Y185 L190 Q191 T192V184-K188 HydrophobicContact CG1-CD 3.99Å; V184-K188 VanDerWaalsContact CG1-NZ 3.33Å; V184-K188 WeakPolarHBondContact O-CB 3.3Å; V184-K188 WeakPolarHBondContact O-CG 3.37Å; V184-K188 PolarHBondContact O-N 3.28Å; V184-K188 VanDerWaalsContact O-N 3.09Å; Y185-K188 PolarHBondContact O-N 2.98Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 3.29Å; K188-Q191 PolarHBondContact O-N 2.91Å; K188-T192 PolarHBondContact O-N 2.95Å; K188-T192 PolarHBondContact O-OG1 2.93Å
189K86.9Confident80.7Confident126 Ų12687.7 Ų87.755%0.54845%0.446SS..Hα-helixtrans-60.3-41.4176.6-174173.3-174.1168.90112.7Y185 S186 Q187 S193Y185-K189 HydrophobicContact CE1-CD 3.91Å; Y185-K189 WeakPolarHBondContact O-CB 3.49Å; Y185-K189 PolarHBondContact O-N 3.44Å; S186-K189 PolarHBondContact O-N 2.86Å; Q187-K189 PolarHBondContact O-N 3.09Å; K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.45Å
190L83.4Confident78.6Confident71 Ų7191 Ų9137%0.37247%0.466SS..Hα-helixtrans-64.7-42.4175.8-76.1169.4000111.7S186 Q187 K188 S193 K194 L212S186-L190 WeakPolarHBondContact O-CB 3.42Å; S186-L190 VanDerWaalsContact O-CG 3.27Å; S186-L190 WeakPolarHBondContact O-CG 3.34Å; S186-L190 PolarHBondContact O-N 2.98Å; Q187-L190 PolarHBondContact O-N 2.77Å; K188-L190 VanDerWaalsContact C-N 3.35Å; K188-L190 PolarHBondContact O-N 3.29Å; L190-S193 PolarHBondContact O-N 2.98Å; L190-S193 PolarHBondContact O-OG 3.48Å; L190-K194 WeakPolarHBondContact O-CG 3.47Å; L190-K194 PolarHBondContact O-N 2.81Å; L190-L212 HydrophobicContact CD1-CD1 3.83Å
191Q81.9Confident76.9Confident94 Ų9496.2 Ų96.244%0.43950%0.501SS..Hα-helixtrans-60.5-51.8176.3-71.1168.2-1.300111.5Q187 K188 S193 K194 Q195Q187-Q191 WeakPolarHBondContact O-CG 3.42Å; Q187-Q191 PolarHBondContact O-N 3.17Å; K188-Q191 PolarHBondContact O-N 2.91Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.47Å; Q191-K194 PolarHBondContact O-N 2.9Å; Q191-K194 VanDerWaalsContact O-N 3.15Å; Q191-Q195 PolarHBondContact O-N 3.32Å; Q191-Q195 VanDerWaalsContact O-N 3.11Å
192T83.4Confident74.9Confident86 Ų86102 Ų10253%0.52852%0.516SS..Hα-helixtrans-57.4-43.9176-49.60000111.7K188 K194 Q195 E196K188-T192 PolarHBondContact O-N 2.95Å; K188-T192 PolarHBondContact O-OG1 2.93Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 3.21Å; T192-Q195 PolarHBondContact O-N 3.42Å; T192-Q195 VanDerWaalsContact O-N 3.12Å; T192-E196 PolarHBondContact O-N 2.94Å
193S77.3Confident72.8Confident47 Ų47108.3 Ų108.333%0.32954%0.535SS..Hα-helixtrans-67.2-25.9-179.875.70000114.3K189 L190 Q191 R197K189-S193 WeakPolarHBondContact O-CB 3.5Å; K189-S193 PolarHBondContact O-N 3.14Å; K189-S193 PolarHBondContact O-OG 3.45Å; L190-S193 PolarHBondContact O-N 2.98Å; L190-S193 PolarHBondContact O-OG 3.48Å; Q191-S193 VanDerWaalsContact C-N 3.32Å; Q191-S193 PolarHBondContact O-N 3.47Å; S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.87Å; S193-R197 VanDerWaalsContact O-N 3.16Å
194K69.8Low70.5Confident136 Ų136112.2 Ų112.259%0.59156%0.561SS**Hα-helixtrans-76.1-33.7172.3-76179.6177.2-176.40111.9L190 Q191 T192L190-K194 WeakPolarHBondContact O-CG 3.47Å; L190-K194 PolarHBondContact O-N 2.81Å; Q191-K194 PolarHBondContact O-N 2.9Å; Q191-K194 VanDerWaalsContact O-N 3.15Å; T192-K194 VanDerWaalsContact C-N 3.29Å; T192-K194 PolarHBondContact O-N 3.21Å
195Q64.9Low68.6Low169 Ų169117.5 Ų117.579%0.7959%0.588SS**Hα-helixtrans-72.7-39176.7-170.9176.1700111.9Q191 T192Q191-Q195 PolarHBondContact O-N 3.32Å; Q191-Q195 VanDerWaalsContact O-N 3.11Å; T192-Q195 PolarHBondContact O-N 3.42Å; T192-Q195 VanDerWaalsContact O-N 3.12Å
196E61.7Low66.8Low167 Ų167117 Ų11778%0.7859%0.59SS**Hα-helixtrans-71.6-41.1176.6-174.2-176.3-159.400112.4T192 G198T192-E196 PolarHBondContact O-N 2.94Å; E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.25Å
197R59.8Low65.3Low178 Ų178118.9 Ų118.967%0.67260%0.604SS**SBendtrans-88.256.6-176.3-163.7-178.6-67.6-87.9-3.9112.7S193S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.87Å; S193-R197 VanDerWaalsContact O-N 3.16Å
198G51.2Low64.2Low50 Ų50120.5 Ų120.552%0.51562%0.621SS.*THydrogen-bonded Turntrans-56142.8178.200000114.1E196 V200E196-G198 VanDerWaalsContact C-N 3.28Å; E196-G198 PolarHBondContact O-N 3.25Å; G198-V200 VanDerWaalsContact C-N 3.35Å; G198-V200 PolarHBondContact O-N 3.22Å
199A52Low63.2Low111 Ų111117.6 Ų117.692%0.91761%0.612SS**THydrogen-bonded Turntrans57.316.5159.700000120.2
200V51.2Low62.2Low111 Ų111115.5 Ų115.567%0.67361%0.606SS**  trans-109.8101172.9-174.20000112.6G198 R202G198-V200 VanDerWaalsContact C-N 3.35Å; G198-V200 PolarHBondContact O-N 3.22Å; V200-R202 PolarHBondContact O-N 3.48Å
201T60.5Low61.9Low137 Ų137113.8 Ų113.884%0.8460%0.597SS**  trans-45.7125.4179-50.50000114
202R52.7Low61.8Low214 Ų214111.4 Ų111.481%0.80859%0.587SS**  trans-131.1140.2162.8-73.4-168.6167.9-162.4-5.2110.6V200V200-R202 PolarHBondContact O-N 3.48Å
203R51.5Low61.9Low233 Ų233113.9 Ų113.988%0.87959%0.587SS**  trans-58.9140.4-176.9-75.6176.2167.8155.1-5.2111.4L205R203-L205 PolarHBondContact O-N 2.91Å
204P45.3Very low62.3Low83 Ų83116.8 Ų116.854%0.53959%0.594SS.*  trans-69.1116.4168.228.6-32.7000110.2H206P204-H206 PolarHBondContact O-N 3.36Å
205L52Low63.1Low127 Ų127110.8 Ų110.867%0.66557%0.569SS**  trans-75.599.9152.3-92.969.1000106R203 S207 A208 D209R203-L205 PolarHBondContact O-N 2.91Å; L205-S207 PolarHBondContact O-N 2.91Å; L205-S207 VanDerWaalsContact O-N 3.11Å; L205-A208 HydrophobicContact CB-CB 4.32Å; L205-A208 PolarHBondContact O-N 3.06Å; L205-D209 PolarHBondContact O-N 2.85Å
206H54.5Low64.3Low134 Ų134105.4 Ų105.462%0.6254%0.544SS*.Hα-helixtrans-59.7-25.1-168.9-75.7-85.1000114.5P204 L210P204-H206 PolarHBondContact O-N 3.36Å; H206-L210 WeakPolarHBondContact O-CD1 3.45Å; H206-L210 VanDerWaalsContact O-CG 3.23Å; H206-L210 WeakPolarHBondContact O-CG 3.27Å; H206-L210 PolarHBondContact O-N 3.02Å
207S56.4Low65.8Low75 Ų75102 Ų10252%0.52453%0.527SS..Hα-helixtrans-66.1-61.6170.646.10000111.5L205 D209 L210 D211L205-S207 PolarHBondContact O-N 2.91Å; L205-S207 VanDerWaalsContact O-N 3.11Å; S207-D209 PolarHBondContact O-N 3.02Å; S207-L210 WeakPolarHBondContact O-CA 3.49Å; S207-L210 WeakPolarHBondContact O-CB 3.22Å; S207-L210 PolarHBondContact O-N 3.22Å; S207-D211 PolarHBondContact O-N 2.68Å
208A63.5Low67.4Low59 Ų5993.8 Ų93.849%0.48850%0.498SS..Hα-helixtrans-55.1-30.8-177.300000113.8L205 L212L205-A208 HydrophobicContact CB-CB 4.32Å; L205-A208 PolarHBondContact O-N 3.06Å; A208-L212 WeakPolarHBondContact O-CB 3.34Å; A208-L212 PolarHBondContact O-N 2.96Å
209D67.1Low69.4Low61 Ų6191.4 Ų91.433%0.32647%0.473SS..Hα-helixtrans-74.1-37.5172.8-179.579.8000113.6L205 S207 R213L205-D209 PolarHBondContact O-N 2.85Å; S207-D209 PolarHBondContact O-N 3.02Å; D209-R213 WeakPolarHBondContact O-CB 3.07Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.45Å; D209-R213 PolarHBondContact O-NE 2.94Å; D209-R213 IonicContact OD2-CZ 2.64Å; D209-R213 IonicContact OD2-NE 3.49Å; D209-R213 PolarHBondContact OD2-NE 3.17Å; D209-R213 IonicContact OD2-NH2 3.1Å; D209-R213 PolarHBondContact OD2-NH2 3.01Å
210L65.4Low71.4Confident83 Ų8391.9 Ų91.944%0.43546%0.456SS..Hα-helixtrans-66.3-42.3173.3-74.8166.6000111.4H206 S207 R213 K214H206-L210 WeakPolarHBondContact O-CD1 3.45Å; H206-L210 VanDerWaalsContact O-CG 3.23Å; H206-L210 WeakPolarHBondContact O-CG 3.27Å; H206-L210 PolarHBondContact O-N 3.02Å; S207-L210 WeakPolarHBondContact O-CA 3.49Å; S207-L210 WeakPolarHBondContact O-CB 3.22Å; S207-L210 PolarHBondContact O-N 3.22Å; L210-R213 PolarHBondContact O-N 3.24Å; L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.11Å
211D77Confident73.6Confident35 Ų3587.2 Ų87.219%0.18743%0.427CS..Hα-helixtrans-71.9-36.3-179.2-59.2-48.6000111.3S207 R213 K214 C215S207-D211 PolarHBondContact O-N 2.68Å; D211-R213 VanDerWaalsContact C-N 3.31Å; D211-R213 PolarHBondContact O-N 2.89Å; D211-K214 PolarHBondContact O-N 3.47Å; D211-K214 WeakPolarHBondContact OD1-CE 3.47Å; D211-K214 IonicContact OD1-NZ 3.95Å; D211-K214 PolarHBondContact OD1-NZ 3.09Å; D211-C215 WeakPolarHBondContact O-CB 3.48Å; D211-C215 PolarHBondContact O-N 2.97Å
212L81.4Confident75.3Confident43 Ų4380.7 Ų80.723%0.22539%0.387CS..Hα-helixtrans-61-37.7168.2-174.464.5000112.5L190 A208 C215 H216L190-L212 HydrophobicContact CD1-CD1 3.83Å; A208-L212 WeakPolarHBondContact O-CB 3.34Å; A208-L212 PolarHBondContact O-N 2.96Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.07Å; L212-H216 PolarHBondContact O-N 2.91Å; L212-H216 PolarHBondContact O-ND1 3.37Å
213R84.5Confident77.4Confident139 Ų13974.2 Ų74.253%0.52537%0.366SS..Hα-helixtrans-69.8-39.3175.7-79.7-174-82.7147.3-8.9112.8D209 L210 D211 H216 Q217D209-R213 WeakPolarHBondContact O-CB 3.07Å; D209-R213 WeakPolarHBondContact O-CG 3.44Å; D209-R213 PolarHBondContact O-N 3.45Å; D209-R213 PolarHBondContact O-NE 2.94Å; D209-R213 IonicContact OD2-CZ 2.64Å; D209-R213 IonicContact OD2-NE 3.49Å; D209-R213 PolarHBondContact OD2-NE 3.17Å; D209-R213 IonicContact OD2-NH2 3.1Å; D209-R213 PolarHBondContact OD2-NH2 3.01Å; L210-R213 PolarHBondContact O-N 3.24Å; D211-R213 VanDerWaalsContact C-N 3.31Å; D211-R213 PolarHBondContact O-N 2.89Å; R213-H216 PolarHBondContact O-N 2.88Å; R213-Q217 WeakPolarHBondContact O-CB 3.38Å; R213-Q217 PolarHBondContact O-N 3.32Å
214K85.9Confident79.6Confident107 Ų10766.9 Ų66.947%0.46534%0.341SS..Hα-helixtrans-59.2-47170.5-65.7169.2-164166.30110.9L210 D211 H216 Q217 T218L210-K214 WeakPolarHBondContact O-CG 3.49Å; L210-K214 PolarHBondContact O-N 3.11Å; D211-K214 PolarHBondContact O-N 3.47Å; D211-K214 WeakPolarHBondContact OD1-CE 3.47Å; D211-K214 IonicContact OD1-NZ 3.95Å; D211-K214 PolarHBondContact OD1-NZ 3.09Å; K214-H216 PolarHBondContact O-N 3.15Å; K214-Q217 PolarHBondContact O-N 3.21Å; K214-T218 PolarHBondContact O-N 3.23Å; K214-T218 PolarHBondContact O-OG1 2.67Å
215C87.4Confident82.1Confident11 Ų1163 Ų637%0.07432%0.316CS..Hα-helixtrans-56.3-50177.5176.90000111.9D211 L212 Q217 T218 L219 F363D211-C215 WeakPolarHBondContact O-CB 3.48Å; D211-C215 PolarHBondContact O-N 2.97Å; L212-C215 WeakPolarHBondContact O-CB 3.41Å; L212-C215 PolarHBondContact O-N 3.07Å; C215-Q217 PolarHBondContact O-N 2.79Å; C215-T218 PolarHBondContact O-N 2.86Å; C215-L219 WeakPolarHBondContact O-CB 3.31Å; C215-L219 WeakPolarHBondContact O-CD1 3.49Å; C215-L219 VanDerWaalsContact O-CG 3.3Å; C215-L219 WeakPolarHBondContact O-CG 3.39Å; C215-L219 PolarHBondContact O-N 2.9Å; C215-F363 HydrophobicContact CB-CD2 4.21Å; C215-F363 HydrophobicContact CB-CE2 3.5Å; C215-F363 HydrophobicContact CB-CZ 3.72Å; C215-F363 VanDerWaalsContact SG-CZ 3.6Å
216H89.2Confident84.3Confident56 Ų5657.4 Ų57.426%0.25929%0.287SS..Hα-helixtrans-59.1-45.6175.4-79.264000112.4Q187 L212 R213 K214 L219 Q220Q187-H216 PolarHBondContact NE2-CD2 3.04Å; Q187-H216 VanDerWaalsContact NE2-CD2 3.32Å; L212-H216 PolarHBondContact O-N 2.91Å; L212-H216 PolarHBondContact O-ND1 3.37Å; R213-H216 PolarHBondContact O-N 2.88Å; K214-H216 PolarHBondContact O-N 3.15Å; H216-L219 PolarHBondContact O-N 2.9Å; H216-Q220 WeakPolarHBondContact O-CB 3.33Å; H216-Q220 PolarHBondContact O-N 3Å
217Q92.8Very high86.4Confident94 Ų9456.1 Ų56.144%0.43928%0.281SS..Hα-helixtrans-64.5-46.1-179.6-178.463.437.800112.1R213 K214 C215 L219 Q220 E221R213-Q217 WeakPolarHBondContact O-CB 3.38Å; R213-Q217 PolarHBondContact O-N 3.32Å; K214-Q217 PolarHBondContact O-N 3.21Å; C215-Q217 PolarHBondContact O-N 2.79Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; Q217-Q220 PolarHBondContact O-N 2.95Å; Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.14Å; Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 3.26Å
218T93.1Very high88.4Confident7 Ų754.6 Ų54.64%0.04327%0.266CS..Hα-helixtrans-66.3-37.6178.8-61.50000111.6L176 K214 C215 E221 L222 I360 K361 F363L176-T218 HydrophobicContact CD2-CG2 4.2Å; K214-T218 PolarHBondContact O-N 3.23Å; K214-T218 PolarHBondContact O-OG1 2.67Å; C215-T218 PolarHBondContact O-N 2.86Å; T218-E221 PolarHBondContact O-N 2.99Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 2.79Å; T218-I360 HydrophobicContact CG2-CG2 3.86Å; T218-K361 WeakPolarHBondContact CG2-O 3.37Å; T218-K361 PolarHBondContact OG1-O 3.05Å; T218-F363 HydrophobicContact CG2-CD1 3.82Å; T218-F363 HydrophobicContact CG2-CE1 3.94Å
219L93.8Very high90Very high0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-65.4-43.8174.9-75.5166000111.7Y180 L183 V184 Q187 C215 H216 Q217 L222 E223Y180-L219 HydrophobicContact CD2-CD2 4.35Å; Y180-L219 HydrophobicContact CE2-CD2 4.44Å; L183-L219 HydrophobicContact CB-CD1 3.93Å; L183-L219 HydrophobicContact CB-CD2 3.74Å; L183-L219 HydrophobicContact CB-CG 4.38Å; L183-L219 HydrophobicContact CD1-CD2 3.88Å; L183-L219 HydrophobicContact CD1-CG 4.45Å; L183-L219 HydrophobicContact CG-CD2 4.44Å; V184-L219 HydrophobicContact CG2-CD2 4.44Å; Q187-L219 VanDerWaalsContact OE1-CD1 3.32Å; C215-L219 WeakPolarHBondContact O-CB 3.31Å; C215-L219 WeakPolarHBondContact O-CD1 3.49Å; C215-L219 VanDerWaalsContact O-CG 3.3Å; C215-L219 WeakPolarHBondContact O-CG 3.39Å; C215-L219 PolarHBondContact O-N 2.9Å; H216-L219 PolarHBondContact O-N 2.9Å; Q217-L219 VanDerWaalsContact C-N 3.35Å; L219-L222 PolarHBondContact O-N 2.84Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 WeakPolarHBondContact O-CG 3.3Å; L219-E223 PolarHBondContact O-N 3.13Å
220Q95.1Very high91.4Very high120 Ų12053 Ų5356%0.56125%0.246SC*.Hα-helixtrans-63.8-42.8175.3-174.7179.3-1400112.2H216 Q217 L222 E223 E224H216-Q220 WeakPolarHBondContact O-CB 3.33Å; H216-Q220 PolarHBondContact O-N 3Å; Q217-Q220 PolarHBondContact O-N 2.95Å; Q220-L222 PolarHBondContact O-N 2.85Å; Q220-E223 PolarHBondContact O-N 3.3Å; Q220-E224 WeakPolarHBondContact O-CB 3.4Å; Q220-E224 PolarHBondContact O-N 2.94Å
221E96.2Very high93Very high14 Ų1451.6 Ų51.67%0.06524%0.238CC..Hα-helixtrans-59.3-35.7174.2-76.1174.5-163.400111.5Q217 T218 L225 I360 K361Q217-E221 WeakPolarHBondContact CG-OE1 3.28Å; Q217-E221 PolarHBondContact NE2-OE1 3.07Å; Q217-E221 WeakPolarHBondContact O-CB 3.14Å; Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 3.26Å; T218-E221 PolarHBondContact O-N 2.99Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 PolarHBondContact O-N 3.36Å; E221-L225 VanDerWaalsContact O-N 3.15Å; E221-I360 VanDerWaalsContact C-CD1 3.46Å; E221-I360 HydrophobicContact CB-CD1 3.87Å; E221-I360 VanDerWaalsContact O-CD1 3.26Å; E221-I360 WeakPolarHBondContact O-CD1 3.5Å; E221-K361 VanDerWaalsContact CD-NZ 3.26Å; E221-K361 IonicContact OE1-NZ 2.72Å; E221-K361 PolarHBondContact OE1-NZ 3.32Å; E221-K361 IonicContact OE2-NZ 3.14Å; E221-K361 PolarHBondContact OE2-NZ 3.4Å
222L97.1Very high93.9Very high0 Ų050 Ų500%023%0.229CC..Hα-helixtrans-80.7-39.7179.4-178.257.1000113L166 L170 L176 Y180 T218 L219 Q220 L225 L226 I360L166-L222 HydrophobicContact CD2-CD1 4.12Å; L166-L222 HydrophobicContact CG-CD1 4.45Å; L170-L222 HydrophobicContact CD1-CD1 3.82Å; L170-L222 HydrophobicContact CD1-CD2 3.96Å; L176-L222 HydrophobicContact CD1-CD2 4.12Å; Y180-L222 HydrophobicContact CD2-CD2 3.67Å; Y180-L222 HydrophobicContact CD2-CG 4.28Å; Y180-L222 HydrophobicContact CE2-CD2 4.01Å; Y180-L222 HydrophobicContact CE2-CG 4.14Å; T218-L222 WeakPolarHBondContact O-CB 3.5Å; T218-L222 PolarHBondContact O-N 2.79Å; L219-L222 PolarHBondContact O-N 2.84Å; Q220-L222 PolarHBondContact O-N 2.85Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.41Å; L222-L226 HydrophobicContact CD1-CD1 4.36Å; L222-L226 HydrophobicContact CD1-CG 4.25Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.46Å; L222-I360 HydrophobicContact CB-CD1 4.32Å; L222-I360 HydrophobicContact CD1-CG1 4.45Å
223E96.9Very high94.7Very high77 Ų7748 Ų4836%0.3622%0.219SC..Hα-helixtrans-60.6-44.2172.5-80.4179.6164.400110.9Y180 L219 Q220 L226 Q227Y180-E223 HydrophobicContact CE2-CG 4.44Å; Y180-E223 VanDerWaalsContact OH-CG 3.31Å; Y180-E223 WeakPolarHBondContact OH-CG 3.42Å; L219-E223 WeakPolarHBondContact O-CB 3.44Å; L219-E223 WeakPolarHBondContact O-CG 3.3Å; L219-E223 PolarHBondContact O-N 3.13Å; Q220-E223 PolarHBondContact O-N 3.3Å; E223-L226 PolarHBondContact O-N 3.45Å; E223-Q227 WeakPolarHBondContact O-CB 3.31Å; E223-Q227 PolarHBondContact O-N 3.28Å
224E97.8Very high95.2Very high79 Ų7945.7 Ų45.737%0.36922%0.224SC..Hα-helixtrans-61.5-49.9173.6-172.1-178.4-176.400111Q220 L226 Q227 Q228 W316Q220-E224 WeakPolarHBondContact O-CB 3.4Å; Q220-E224 PolarHBondContact O-N 2.94Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.85Å; E224-Q227 PolarHBondContact O-N 3.36Å; E224-Q228 HydrophobicContact CG-CG 4.2Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.41Å; E224-W316 HydrophobicContact CG-CZ2 3.91Å; E224-W316 PolarHBondContact OE1-NE1 3.43Å
225L98.1Very high95.7Very high2 Ų244.7 Ų44.71%0.0122%0.223CC..Hα-helixtrans-58.2-41.9178.4173.962000112.7L166 E221 L222 Q228 L229 V304 W316 F317 A356 I360L166-L225 HydrophobicContact CD2-CD2 4.08Å; E221-L225 WeakPolarHBondContact O-CB 3.26Å; E221-L225 PolarHBondContact O-N 3.36Å; E221-L225 VanDerWaalsContact O-N 3.15Å; L222-L225 HydrophobicContact CD1-CD2 4.49Å; L222-L225 PolarHBondContact O-N 3.41Å; L225-Q228 PolarHBondContact O-N 2.87Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.32Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å; L225-V304 HydrophobicContact CD1-CB 4.26Å; L225-V304 HydrophobicContact CD2-CB 4.36Å; L225-V304 HydrophobicContact CD2-CG2 3.82Å; L225-W316 HydrophobicContact CB-CH2 4.23Å; L225-W316 HydrophobicContact CD1-CH2 3.89Å; L225-W316 HydrophobicContact CD1-CZ3 3.88Å; L225-F317 HydrophobicContact CD1-CZ 4.16Å; L225-A356 HydrophobicContact CD1-CB 3.9Å; L225-I360 HydrophobicContact CB-CD1 4.17Å; L225-I360 HydrophobicContact CD2-CD1 3.74Å; L225-I360 HydrophobicContact CD2-CG1 3.59Å
226L97.8Very high96.1Very high10 Ų1044.7 Ų44.75%0.05222%0.224CC..Hα-helixtrans-63.7-49.1177-73.5171.4000111.2Y159 S163 L166 Y180 L222 E223 E224 Q228 L229 E230Y159-L226 WeakPolarHBondContact CE2-O 3.34Å; Y159-L226 PolarHBondContact OH-O 2.94Å; S163-L226 VanDerWaalsContact CB-CD2 3.44Å; L166-L226 HydrophobicContact CD2-CD2 4.12Å; Y180-L226 HydrophobicContact CE2-CD1 3.95Å; L222-L226 HydrophobicContact CD1-CD1 4.36Å; L222-L226 HydrophobicContact CD1-CG 4.25Å; L222-L226 HydrophobicContact CG-CD1 4.21Å; L222-L226 WeakPolarHBondContact O-CB 3.35Å; L222-L226 VanDerWaalsContact O-CG 3.23Å; L222-L226 WeakPolarHBondContact O-CG 3.33Å; L222-L226 PolarHBondContact O-N 3.46Å; E223-L226 PolarHBondContact O-N 3.45Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 2.85Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.03Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.36Å; L226-E230 PolarHBondContact O-N 3.05Å
227Q97.6Very high96.3Very high106 Ų10644.3 Ų44.350%0.49522%0.22SC..Hα-helixtrans-62.6-34.4178.6-175.365.595.900112.6E223 E224 E230 M231E223-Q227 WeakPolarHBondContact O-CB 3.31Å; E223-Q227 PolarHBondContact O-N 3.28Å; E224-Q227 PolarHBondContact O-N 3.36Å; Q227-E230 WeakPolarHBondContact O-CB 3.41Å; Q227-M231 PolarHBondContact O-N 2.82Å
228Q97.9Very high96.5Very high44 Ų4440.1 Ų40.121%0.20620%0.201CC..Hα-helixtrans-77-30.3177.9-63.3-70.4-30.200111.9E224 L225 L226 L232 W316 F317E224-Q228 HydrophobicContact CG-CG 4.2Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.12Å; E224-Q228 PolarHBondContact O-N 3.41Å; L225-Q228 PolarHBondContact O-N 2.87Å; L226-Q228 VanDerWaalsContact C-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.03Å; Q228-L232 WeakPolarHBondContact O-CB 3.46Å; Q228-L232 PolarHBondContact O-N 2.78Å; Q228-W316 HydrophobicContact CB-CD2 3.82Å; Q228-W316 HydrophobicContact CB-CE3 3.55Å; Q228-W316 HydrophobicContact CB-CG 4.34Å; Q228-W316 HydrophobicContact CB-CH2 4.33Å; Q228-W316 HydrophobicContact CB-CZ3 3.82Å; Q228-W316 HydrophobicContact CG-CB 4.36Å; Q228-W316 HydrophobicContact CG-CD2 3.55Å; Q228-W316 HydrophobicContact CG-CE3 3.85Å; Q228-W316 HydrophobicContact CG-CG 3.79Å; Q228-W316 HydrophobicContact CG-CH2 4.43Å; Q228-W316 HydrophobicContact CG-CZ2 4.18Å; Q228-W316 HydrophobicContact CG-CZ3 4.27Å; Q228-F317 HydrophobicContact CB-CE2 3.99Å
229L97.8Very high96.7Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-64.1-46.2167.4-77.5167.6000110.8Y159 L166 L225 L226 M231 L232 F233 V304 F317Y159-L229 HydrophobicContact CD2-CB 4.15Å; Y159-L229 HydrophobicContact CE2-CB 4.05Å; L166-L229 HydrophobicContact CD2-CD1 4.13Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.32Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CB 3.31Å; L225-L229 WeakPolarHBondContact O-CG 3.45Å; L225-L229 PolarHBondContact O-N 3.39Å; L226-L229 WeakPolarHBondContact O-CB 3.32Å; L226-L229 PolarHBondContact O-N 3.36Å; L229-M231 VanDerWaalsContact C-N 3.26Å; L229-M231 PolarHBondContact O-N 3.21Å; L229-L232 PolarHBondContact O-N 3.2Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L229-F233 VanDerWaalsContact O-CD2 3.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å; L229-F233 PolarHBondContact O-N 3Å; L229-V304 HydrophobicContact CD2-CG1 4.34Å; L229-F317 HydrophobicContact CD2-CE1 4.41Å; L229-F317 HydrophobicContact CD2-CE2 4.49Å; L229-F317 HydrophobicContact CD2-CZ 3.7Å; L229-F317 HydrophobicContact CG-CZ 4.02Å
230E97.5Very high96.9Very high85 Ų8542.5 Ų42.540%0.39721%0.209SC..Hα-helixtrans-53.1-45.3175.9-163170.313000112Y159 L226 Q227 F233 S234Y159-E230 HydrophobicContact CD1-CB 4.15Å; Y159-E230 HydrophobicContact CD1-CG 3.78Å; Y159-E230 HydrophobicContact CD2-CB 4.22Å; Y159-E230 HydrophobicContact CE1-CB 3.69Å; Y159-E230 HydrophobicContact CE1-CG 3.4Å; Y159-E230 WeakPolarHBondContact CE1-OE2 3.36Å; Y159-E230 HydrophobicContact CE2-CB 3.8Å; Y159-E230 HydrophobicContact CE2-CG 4.43Å; Y159-E230 HydrophobicContact CG-CB 4.39Å; Y159-E230 HydrophobicContact CG-CG 4.41Å; Y159-E230 VanDerWaalsContact CZ-CB 3.48Å; Y159-E230 VanDerWaalsContact CZ-OE2 3.22Å; Y159-E230 PolarHBondContact OH-OE2 2.88Å; L226-E230 PolarHBondContact O-N 3.05Å; Q227-E230 WeakPolarHBondContact O-CB 3.41Å; E230-F233 PolarHBondContact O-N 2.91Å; E230-S234 PolarHBondContact O-N 2.82Å
231M97.3Very high97.1Very high55 Ų5536.8 Ų36.827%0.27118%0.182SC..Hα-helixtrans-70.6-38177.1-178.4-88.2-63.600113.2Q227 L229 F233 S234 L235 V314Q227-M231 PolarHBondContact O-N 2.82Å; L229-M231 VanDerWaalsContact C-N 3.26Å; L229-M231 PolarHBondContact O-N 3.21Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.38Å; M231-S234 PolarHBondContact O-N 3.17Å; M231-S234 PolarHBondContact O-OG 3.26Å; M231-S234 VanDerWaalsContact O-OG 3.09Å; M231-L235 HydrophobicContact CG-CD1 4.46Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.69Å; M231-L235 HydrophobicContact SD-CD1 3.44Å; M231-L235 WeakPolarHBondContact SD-CD1 3.43Å; M231-L235 HydrophobicContact SD-CG 4.31Å; M231-V314 HydrophobicContact CE-CG2 3.95Å; M231-V314 HydrophobicContact SD-CG2 4.13Å
232L97.7Very high97.2Very high0 Ų036.1 Ų36.10%018%0.179CC..Hα-helixtrans-62.2-41.9173.5174.258.9000111.5Q228 L229 L235 S236 V238 A306 A308 V314 F317Q228-L232 WeakPolarHBondContact O-CB 3.46Å; Q228-L232 PolarHBondContact O-N 2.78Å; L229-L232 PolarHBondContact O-N 3.2Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L232-L235 PolarHBondContact O-N 3.46Å; L232-S236 PolarHBondContact O-N 3.49Å; L232-V238 HydrophobicContact CG-CG2 4.34Å; L232-A306 HydrophobicContact CD2-CB 3.56Å; L232-A308 HydrophobicContact CD1-CB 3.82Å; L232-A308 HydrophobicContact CG-CB 4.49Å; L232-V314 HydrophobicContact CB-CG2 4.37Å; L232-V314 HydrophobicContact CD1-CB 3.91Å; L232-V314 HydrophobicContact CD1-CG1 3.88Å; L232-V314 HydrophobicContact CD1-CG2 4.03Å; L232-F317 HydrophobicContact CB-CD2 4.35Å; L232-F317 HydrophobicContact CB-CE2 4.19Å; L232-F317 HydrophobicContact CD2-CD1 4.46Å; L232-F317 HydrophobicContact CD2-CD2 4.06Å; L232-F317 HydrophobicContact CD2-CE1 4.45Å; L232-F317 HydrophobicContact CD2-CE2 4.04Å; L232-F317 HydrophobicContact CD2-CG 4.31Å; L232-F317 HydrophobicContact CD2-CZ 4.26Å
233F96.8Very high97.2Very high3 Ų336.2 Ų36.21%0.01318%0.18CC..Hα-helixtrans-63.3-49.9173.8-83.3-115.3000109.8H155 C158 V162 L229 E230 M231 L235 S236 V238 V241 M260H155-F233 PolarHBondContact CE1-O 3.42Å; H155-F233 PolarHBondContact NE2-O 2.93Å; C158-F233 HydrophobicContact CB-CD1 4.18Å; C158-F233 HydrophobicContact CB-CE1 3.73Å; V162-F233 HydrophobicContact CB-CZ 4.33Å; V162-F233 HydrophobicContact CG2-CZ 4Å; L229-F233 VanDerWaalsContact O-CD2 3.24Å; L229-F233 WeakPolarHBondContact O-CD2 3.45Å; L229-F233 PolarHBondContact O-N 3Å; E230-F233 PolarHBondContact O-N 2.91Å; M231-F233 VanDerWaalsContact C-N 3.32Å; M231-F233 PolarHBondContact O-N 3.38Å; F233-L235 PolarHBondContact O-N 2.96Å; F233-S236 CarbonylContact C-O 3.59Å; F233-S236 CarbonylContact O-C 3.47Å; F233-S236 PolarHBondContact O-N 2.66Å; F233-V238 HydrophobicContact CD1-CB 4.19Å; F233-V238 HydrophobicContact CD1-CG2 4.2Å; F233-V238 HydrophobicContact CD2-CB 4.2Å; F233-V238 HydrophobicContact CD2-CG2 3.71Å; F233-V238 HydrophobicContact CE1-CB 3.79Å; F233-V238 HydrophobicContact CE1-CG1 4.35Å; F233-V238 HydrophobicContact CE1-CG2 4.25Å; F233-V238 HydrophobicContact CE2-CB 3.84Å; F233-V238 HydrophobicContact CE2-CG1 3.8Å; F233-V238 HydrophobicContact CE2-CG2 3.8Å; F233-V238 HydrophobicContact CG-CB 4.39Å; F233-V238 HydrophobicContact CG-CG2 3.94Å; F233-V238 HydrophobicContact CZ-CB 3.62Å; F233-V238 HydrophobicContact CZ-CG1 3.68Å; F233-V238 HydrophobicContact CZ-CG2 4.08Å; F233-V241 HydrophobicContact CZ-CG2 4.33Å; F233-M260 HydrophobicContact CE1-CE 4.39Å; F233-M260 HydrophobicContact CZ-CE 4.13Å
234S95.8Very high97.2Very high89 Ų8932.7 Ų32.762%0.62216%0.163SC*.Hα-helixtrans-60.5-16.6-178.272.20000114.9E230 M231E230-S234 PolarHBondContact O-N 2.82Å; M231-S234 PolarHBondContact O-N 3.17Å; M231-S234 PolarHBondContact O-OG 3.26Å; M231-S234 VanDerWaalsContact O-OG 3.09Å
235L96.1Very high97Very high86 Ų8628.9 Ų28.945%0.4515%0.146SC..Hα-helixtrans-96.2-13.8172.8-64.9176.5000115.4M231 L232 F233 C312 V314M231-L235 HydrophobicContact CG-CD1 4.46Å; M231-L235 WeakPolarHBondContact O-CG 3.46Å; M231-L235 PolarHBondContact O-N 2.69Å; M231-L235 HydrophobicContact SD-CD1 3.44Å; M231-L235 WeakPolarHBondContact SD-CD1 3.43Å; M231-L235 HydrophobicContact SD-CG 4.31Å; L232-L235 PolarHBondContact O-N 3.46Å; F233-L235 PolarHBondContact O-N 2.96Å; L235-C312 HydrophobicContact CB-CB 4.32Å; L235-V314 HydrophobicContact CD1-CB 4.43Å
236S95.4Very high96.7Very high12 Ų1229.2 Ų29.28%0.08415%0.149CC..SBendtrans-157.3150.3-172.8-171.20000113H155 L232 F233 H309H155-S236 PolarHBondContact NE2-O 3.1Å; L232-S236 PolarHBondContact O-N 3.49Å; F233-S236 CarbonylContact C-O 3.59Å; F233-S236 CarbonylContact O-C 3.47Å; F233-S236 PolarHBondContact O-N 2.66Å; S236-H309 PolarHBondContact OG-N 3.22Å; S236-H309 VanDerWaalsContact OG-N 3.08Å
237R94.4Very high96.4Very high47 Ų4731.8 Ų31.818%0.17718%0.178CC..  trans-62.4143.4154.9-171.3168.2176.3163.9-0.9108.2E261 L263 L265 E346 W348 Y351R237-E261 PolarHBondContact NH2-O 2.89Å; R237-L263 PolarHBondContact NH2-O 3.35Å; R237-L265 HydrophobicContact CG-CD1 4.13Å; R237-E346 WeakPolarHBondContact CD-OE2 3.41Å; R237-E346 IonicContact CZ-OE1 2.8Å; R237-E346 IonicContact CZ-OE2 2.75Å; R237-E346 IonicContact NE-OE2 3.19Å; R237-E346 PolarHBondContact NE-OE2 3.21Å; R237-E346 IonicContact NH1-OE1 3.51Å; R237-E346 PolarHBondContact NH1-OE1 3.5Å; R237-E346 IonicContact NH1-OE2 3.56Å; R237-E346 PolarHBondContact NH1-OE2 2.9Å; R237-W348 HydrophobicContact CG-CH2 4.25Å; R237-W348 HydrophobicContact CG-CZ3 4.42Å; R237-Y351 WeakPolarHBondContact O-CE1 2.96Å
238V97.1Very high96.2Very high6 Ų629.7 Ų29.74%0.03618%0.175CC..  trans-125.190.9178.9178.10000108L232 F233 R240 V241 M260 A306 L307 A308L232-V238 HydrophobicContact CG-CG2 4.34Å; F233-V238 HydrophobicContact CD1-CB 4.19Å; F233-V238 HydrophobicContact CD1-CG2 4.2Å; F233-V238 HydrophobicContact CD2-CB 4.2Å; F233-V238 HydrophobicContact CD2-CG2 3.71Å; F233-V238 HydrophobicContact CE1-CB 3.79Å; F233-V238 HydrophobicContact CE1-CG1 4.35Å; F233-V238 HydrophobicContact CE1-CG2 4.25Å; F233-V238 HydrophobicContact CE2-CB 3.84Å; F233-V238 HydrophobicContact CE2-CG1 3.8Å; F233-V238 HydrophobicContact CE2-CG2 3.8Å; F233-V238 HydrophobicContact CG-CB 4.39Å; F233-V238 HydrophobicContact CG-CG2 3.94Å; F233-V238 HydrophobicContact CZ-CB 3.62Å; F233-V238 HydrophobicContact CZ-CG1 3.68Å; F233-V238 HydrophobicContact CZ-CG2 4.08Å; V238-R240 PolarHBondContact O-N 2.77Å; V238-V241 HydrophobicContact CG1-CG2 3.6Å; V238-M260 WeakPolarHBondContact O-CE 3.31Å; V238-A306 HydrophobicContact CG1-CB 4.01Å; V238-L307 WeakPolarHBondContact CA-O 3.35Å; V238-A308 HydrophobicContact CG2-CB 4.48Å
239P96.6Very high96Very high0 Ų030 Ų300%018%0.178CC..  trans-59.2-40.6178.419.3-34.8000113.7N259 M260 E261 L307 W348 Y351P239-N259 PolarHBondContact O-OD1 2.86Å; P239-M260 CarbonylContact O-C 3.6Å; P239-M260 WeakPolarHBondContact O-CA 3.24Å; P239-M260 WeakPolarHBondContact O-CB 3.49Å; P239-M260 PolarHBondContact O-N 2.77Å; P239-E261 HydrophobicContact CB-CG 3.56Å; P239-E261 PolarHBondContact O-N 3.35Å; P239-L307 VanDerWaalsContact CD-O 3.3Å; P239-L307 WeakPolarHBondContact CD-O 3.36Å; P239-L307 HydrophobicContact CG-CB 4.13Å; P239-L307 HydrophobicContact CG-CD2 3.86Å; P239-L307 HydrophobicContact CG-CG 3.84Å; P239-W348 HydrophobicContact CB-CD2 4.1Å; P239-W348 HydrophobicContact CB-CE3 3.96Å; P239-W348 HydrophobicContact CB-CH2 3.69Å; P239-W348 HydrophobicContact CB-CZ2 3.83Å; P239-W348 HydrophobicContact CB-CZ3 3.76Å; P239-W348 HydrophobicContact CG-CD2 4.05Å; P239-W348 HydrophobicContact CG-CE3 3.55Å; P239-W348 HydrophobicContact CG-CH2 4.03Å; P239-W348 HydrophobicContact CG-CZ2 4.48Å; P239-W348 HydrophobicContact CG-CZ3 3.55Å; P239-Y351 HydrophobicContact CG-CD1 3.92Å; P239-Y351 HydrophobicContact CG-CE1 4.21Å
240R97.8Very high95.7Very high57 Ų5736 Ų3622%0.21521%0.209CC..EExtended strand (participates in β ladder)trans-143.1142.8-170.5-74.8164.567.6177.612.5112.8V238 E257 V258 N259 E261 L307 W353V238-R240 PolarHBondContact O-N 2.77Å; R240-E257 IonicContact CZ-OE1 3.79Å; R240-E257 IonicContact NE-OE1 3.22Å; R240-E257 PolarHBondContact NE-OE1 3.22Å; R240-E257 IonicContact NH2-OE1 3.71Å; R240-E257 PolarHBondContact NH2-OE1 3.37Å; R240-E257 IonicContact NH2-OE2 3.89Å; R240-V258 WeakPolarHBondContact CA-O 3.36Å; R240-N259 HydrophobicContact CG-CB 4.17Å; R240-N259 WeakPolarHBondContact CG-OD1 3.34Å; R240-E261 VanDerWaalsContact CD-CD 3.45Å; R240-E261 WeakPolarHBondContact CD-OE1 3.06Å; R240-E261 HydrophobicContact CG-CG 4.27Å; R240-E261 IonicContact NH1-OE1 2.65Å; R240-L307 HydrophobicContact CB-CB 4.24Å; R240-L307 HydrophobicContact CB-CD2 4.39Å; R240-L307 PolarHBondContact O-N 3.05Å; R240-W353 HydrophobicContact CB-CH2 3.75Å; R240-W353 HydrophobicContact CB-CZ2 4.43Å
241V98.7Very high95.5Very high0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-131.1133.6174.9-176.20000109.9V162 F233 V238 L243 E257 V258 M260 V304 L305 A306V162-V241 HydrophobicContact CG1-CB 4.22Å; V162-V241 HydrophobicContact CG1-CG1 3.89Å; V162-V241 HydrophobicContact CG1-CG2 4.08Å; V162-V241 HydrophobicContact CG2-CB 4.31Å; V162-V241 HydrophobicContact CG2-CG2 3.92Å; F233-V241 HydrophobicContact CZ-CG2 4.33Å; V238-V241 HydrophobicContact CG1-CG2 3.6Å; V241-L243 HydrophobicContact CG1-CD1 4.34Å; V241-E257 CarbonylContact O-C 3.55Å; V241-E257 WeakPolarHBondContact O-CA 3.35Å; V241-V258 PolarHBondContact N-O 3Å; V241-V258 PolarHBondContact O-N 3.12Å; V241-M260 HydrophobicContact CG2-CE 4.09Å; V241-V304 HydrophobicContact CG1-CG1 3.9Å; V241-L305 CarbonylContact C-O 3.6Å; V241-L305 WeakPolarHBondContact CA-O 3.41Å; V241-L305 WeakPolarHBondContact CG1-O 3.09Å; V241-A306 HydrophobicContact CG2-CB 4.12Å
242L98.4Very high95.4Very high0 Ų033.7 Ų33.70%020%0.2CC..EExtended strand (participates in β ladder)trans-114.2135.6179.4-66.6171.2000110.8L244 M255 Y256 E257 V304 L305 F323 V325 W353L242-L244 HydrophobicContact CB-CD2 4.17Å; L242-M255 HydrophobicContact CD2-CG 4.36Å; L242-M255 HydrophobicContact CD2-SD 4.34Å; L242-Y256 CarbonylContact C-O 3.54Å; L242-Y256 WeakPolarHBondContact CA-O 3.37Å; L242-E257 HydrophobicContact CD2-CB 3.71Å; L242-E257 HydrophobicContact CD2-CG 3.69Å; L242-V304 WeakPolarHBondContact O-CA 3.35Å; L242-L305 HydrophobicContact CB-CB 4.41Å; L242-L305 PolarHBondContact N-O 3.48Å; L242-L305 PolarHBondContact O-N 2.94Å; L242-F323 HydrophobicContact CD1-CE1 3.8Å; L242-F323 HydrophobicContact CD1-CZ 3.98Å; L242-V325 HydrophobicContact CD1-CG1 4.21Å; L242-V325 HydrophobicContact CD1-CG2 4.12Å; L242-V325 HydrophobicContact CD2-CG1 4.35Å; L242-W353 HydrophobicContact CB-CZ3 4.31Å; L242-W353 HydrophobicContact CD1-CD2 4.48Å; L242-W353 HydrophobicContact CD1-CE3 4.11Å; L242-W353 HydrophobicContact CD1-CH2 3.48Å; L242-W353 VanDerWaalsContact CD1-CH2 3.48Å; L242-W353 HydrophobicContact CD1-CZ2 3.9Å; L242-W353 HydrophobicContact CD1-CZ3 3.61Å; L242-W353 HydrophobicContact CG-CH2 3.58Å; L242-W353 HydrophobicContact CG-CZ2 4.44Å; L242-W353 HydrophobicContact CG-CZ3 3.68Å
243L97.7Very high95.2Very high2 Ų239.6 Ų39.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-112.5110.5168.6-65.566.6000107.7L166 I169 V241 M255 Y256 T302 V304L166-L243 HydrophobicContact CB-CD2 4.4Å; L166-L243 HydrophobicContact CD1-CD2 3.48Å; L166-L243 VanDerWaalsContact CD1-CD2 3.48Å; L166-L243 HydrophobicContact CD1-CG 4.04Å; I169-L243 HydrophobicContact CB-CD2 4.12Å; I169-L243 HydrophobicContact CD1-CD2 3.77Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; V241-L243 HydrophobicContact CG1-CD1 4.34Å; L243-M255 WeakPolarHBondContact O-CA 3.38Å; L243-Y256 PolarHBondContact N-O 3.23Å; L243-Y256 PolarHBondContact O-N 2.89Å; L243-T302 HydrophobicContact CB-CG2 4.35Å; L243-V304 HydrophobicContact CG-CG2 4.33Å
244L96.6Very high95Very high3 Ų340.9 Ų40.92%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-101.2112.4179.7-51.9-168.8000109.3L242 L249 P252 M255 T302 T303 L305 F323L242-L244 HydrophobicContact CB-CD2 4.17Å; L244-L249 HydrophobicContact CD1-CD2 3.86Å; L244-P252 HydrophobicContact CB-CB 4.17Å; L244-P252 HydrophobicContact CD2-CG 4.37Å; L244-M255 HydrophobicContact CD2-CB 4.27Å; L244-M255 HydrophobicContact CD2-CG 3.53Å; L244-M255 HydrophobicContact CD2-SD 3.55Å; L244-M255 VanDerWaalsContact CD2-SD 3.55Å; L244-T302 WeakPolarHBondContact O-CA 3.21Å; L244-T303 PolarHBondContact N-O 3.47Å; L244-T303 PolarHBondContact O-N 3.38Å; L244-L305 HydrophobicContact CD1-CD1 3.54Å; L244-L305 HydrophobicContact CG-CD1 3.7Å; L244-F323 HydrophobicContact CD1-CE2 4.18Å; L244-F323 HydrophobicContact CD1-CZ 4.24Å
245M93.9Very high94.9Very high0 Ų036.8 Ų36.80%020%0.203CC..EExtended strand (participates in β ladder)trans-101.8118.1-176.5-57-172.772.500111.3I169 R173 Q175 K253 E254 Y256 M300 T302I169-M245 HydrophobicContact CG2-SD 4.18Å; R173-M245 HydrophobicContact CB-CE 3.71Å; R173-M245 HydrophobicContact CB-SD 4.09Å; R173-M245 HydrophobicContact CG-CE 4.36Å; R173-M245 HydrophobicContact CG-SD 4.06Å; Q175-M245 HydrophobicContact CG-CE 3.42Å; Q175-M245 VanDerWaalsContact CG-CE 3.42Å; M245-K253 WeakPolarHBondContact O-CB 3.37Å; M245-K253 PolarHBondContact O-N 2.86Å; M245-E254 HydrophobicContact CB-CB 4.2Å; M245-E254 PolarHBondContact N-O 2.87Å; M245-E254 PolarHBondContact O-N 2.91Å; M245-Y256 HydrophobicContact CG-CE2 4.4Å; M245-Y256 HydrophobicContact SD-CD2 4.13Å; M245-Y256 HydrophobicContact SD-CE2 3.63Å; M245-M300 HydrophobicContact CB-CE 4.24Å; M245-T302 HydrophobicContact CG-CG2 4.06Å
246G92.4Very high95Very high9 Ų932.7 Ų32.79%0.09318%0.182CC..SBendtrans61.5-176.2179.100000114.3S248 P252 P301G246-S248 PolarHBondContact O-N 2.9Å; G246-P252 WeakPolarHBondContact O-CA 3.37Å; G246-P301 PolarHBondContact N-O 2.9Å
247G91.6Very high95.1Very high63 Ų6332.4 Ų32.465%0.64918%0.179SC*.SBendtrans67.3-125.9179.900000112.3
248S92.8Very high95.3Very high63 Ų6330.2 Ų30.244%0.44117%0.171SC..BIsolated β-bridgetrans-142.9165.7179.968.80000111.2G246 I250 L251 P252G246-S248 PolarHBondContact O-N 2.9Å; S248-I250 PolarHBondContact O-N 2.83Å; S248-L251 PolarHBondContact N-O 2.86Å; S248-L251 CarbonylContact O-C 3.53Å; S248-L251 PolarHBondContact O-N 2.98Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-L251 PolarHBondContact OG-N 2.78Å; S248-L251 PolarHBondContact OG-O 2.87Å; S248-P252 WeakPolarHBondContact O-CA 3.5Å; S248-P252 WeakPolarHBondContact O-CD 3.41Å
249L92.8Very high95.3Very high51 Ų5131 Ų3127%0.26718%0.175SC..THydrogen-bonded Turntrans-57.1-24177-59.1178.9000114.2L244 T303 L305 F323 P326L244-L249 HydrophobicContact CD1-CD2 3.86Å; L249-T303 HydrophobicContact CD2-CG2 4.11Å; L249-L305 HydrophobicContact CD2-CD1 4.34Å; L249-F323 HydrophobicContact CB-CD2 4.45Å; L249-F323 HydrophobicContact CB-CE2 4.26Å; L249-F323 WeakPolarHBondContact O-CE2 3.41Å; L249-P326 WeakPolarHBondContact O-CG 3.46Å
250I92.7Very high95.3Very high125 Ų12531.2 Ų31.264%0.64118%0.176SC*.THydrogen-bonded Turntrans-96.1-20.4-177-58.4172000111.6S248S248-I250 PolarHBondContact O-N 2.83Å
251L93.9Very high95.2Very high84 Ų8431.2 Ų31.244%0.4418%0.178SC..BIsolated β-bridgetrans-154.882.1179.4-168.372.6000108.1S248 R328 V329S248-L251 PolarHBondContact N-O 2.86Å; S248-L251 CarbonylContact O-C 3.53Å; S248-L251 PolarHBondContact O-N 2.98Å; S248-L251 VanDerWaalsContact O-N 3.1Å; S248-L251 PolarHBondContact OG-N 2.78Å; S248-L251 PolarHBondContact OG-O 2.87Å; L251-R328 HydrophobicContact CD1-CB 4.16Å; L251-V329 HydrophobicContact CD1-CG2 3.87Å
252P94.7Very high94.9Very high7 Ų732.8 Ų32.85%0.04519%0.191CC..  trans-71.7174171.730.7-35.8000110.3L244 G246 S248 M255 P326 V329L244-P252 HydrophobicContact CB-CB 4.17Å; L244-P252 HydrophobicContact CD2-CG 4.37Å; G246-P252 WeakPolarHBondContact O-CA 3.37Å; S248-P252 WeakPolarHBondContact O-CA 3.5Å; S248-P252 WeakPolarHBondContact O-CD 3.41Å; P252-M255 HydrophobicContact CG-CB 4.24Å; P252-P326 HydrophobicContact CG-CB 4.38Å; P252-P326 HydrophobicContact CG-CG 4.29Å; P252-V329 HydrophobicContact CG-CG1 4.47Å; P252-V329 HydrophobicContact CG-CG2 4.07Å; P252-V329 WeakPolarHBondContact O-CG2 3.12Å
253K92.6Very high94.7Very high125 Ų12533.1 Ų33.154%0.54319%0.193SC..SBendtrans-87.4-41.8171.3-70.8175.6169-176.40111.7M245 M300M245-K253 WeakPolarHBondContact O-CB 3.37Å; M245-K253 PolarHBondContact O-N 2.86Å; K253-M300 HydrophobicContact CB-SD 3.97Å; K253-M300 HydrophobicContact CD-SD 3.42Å; K253-M300 WeakPolarHBondContact CD-SD 3.45Å; K253-M300 HydrophobicContact CG-SD 4.33Å
254E92.3Very high94.4Very high29 Ų2933.7 Ų33.714%0.13620%0.198CC..EExtended strand (participates in β ladder)trans-131.8149.8171.3-56.1171.6-143.200109R173 M245 Y256 M300R173-E254 IonicContact CZ-OE1 3.08Å; R173-E254 IonicContact CZ-OE2 3.88Å; R173-E254 IonicContact NE-OE1 2.7Å; R173-E254 IonicContact NE-OE2 3.53Å; R173-E254 PolarHBondContact NE-OE2 3.11Å; R173-E254 VanDerWaalsContact NH2-CD 3.35Å; R173-E254 IonicContact NH2-OE1 2.71Å; R173-E254 PolarHBondContact NH2-OE1 3.29Å; R173-E254 IonicContact NH2-OE2 3.15Å; R173-E254 PolarHBondContact NH2-OE2 3.24Å; M245-E254 HydrophobicContact CB-CB 4.2Å; M245-E254 PolarHBondContact N-O 2.87Å; M245-E254 PolarHBondContact O-N 2.91Å; E254-Y256 HydrophobicContact CB-CE2 3.82Å; E254-Y256 WeakPolarHBondContact OE2-CE2 3.44Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; E254-M300 WeakPolarHBondContact OE1-CE 3.33Å
255M94.4Very high94.1Very high3 Ų336.7 Ų36.72%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-135.4129.4176.7-175.6162.684.600109.4L242 L243 L244 P252 V325 P326 N331 K332L242-M255 HydrophobicContact CD2-CG 4.36Å; L242-M255 HydrophobicContact CD2-SD 4.34Å; L243-M255 WeakPolarHBondContact O-CA 3.38Å; L244-M255 HydrophobicContact CD2-CB 4.27Å; L244-M255 HydrophobicContact CD2-CG 3.53Å; L244-M255 HydrophobicContact CD2-SD 3.55Å; L244-M255 VanDerWaalsContact CD2-SD 3.55Å; P252-M255 HydrophobicContact CG-CB 4.24Å; M255-V325 HydrophobicContact CE-CG1 3.61Å; M255-V325 HydrophobicContact SD-CG1 4.08Å; M255-P326 WeakPolarHBondContact CE-O 3.49Å; M255-P326 HydrophobicContact SD-CB 4.22Å; M255-P326 HydrophobicContact SD-CG 4.14Å; M255-N331 HydrophobicContact CE-CB 3.81Å; M255-N331 PolarHBondContact O-OD1 3.47Å; M255-K332 PolarHBondContact O-N 3.31Å
256Y97.1Very high93.9Very high1 Ų137.9 Ų37.90%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-118.7141.8173-57.3-104000108.5I169 R173 L242 L243 M245 E254 L291 K332I169-Y256 HydrophobicContact CD1-CD1 3.77Å; I169-Y256 HydrophobicContact CD1-CG 3.86Å; I169-Y256 HydrophobicContact CG1-CD1 4.15Å; I169-Y256 HydrophobicContact CG2-CD1 4.29Å; I169-Y256 HydrophobicContact CG2-CD2 4.03Å; I169-Y256 HydrophobicContact CG2-CE1 4.34Å; I169-Y256 HydrophobicContact CG2-CE2 4.13Å; I169-Y256 HydrophobicContact CG2-CG 4.17Å; R173-Y256 WeakPolarHBondContact CD-OH 3.49Å; R173-Y256 HydrophobicContact CG-CE2 4.41Å; R173-Y256 PolarHBondContact NE-OH 2.8Å; L242-Y256 CarbonylContact C-O 3.54Å; L242-Y256 WeakPolarHBondContact CA-O 3.37Å; L243-Y256 PolarHBondContact N-O 3.23Å; L243-Y256 PolarHBondContact O-N 2.89Å; M245-Y256 HydrophobicContact CG-CE2 4.4Å; M245-Y256 HydrophobicContact SD-CD2 4.13Å; M245-Y256 HydrophobicContact SD-CE2 3.63Å; E254-Y256 HydrophobicContact CB-CE2 3.82Å; E254-Y256 WeakPolarHBondContact OE2-CE2 3.44Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; Y256-L291 HydrophobicContact CD1-CD2 3.95Å; Y256-L291 HydrophobicContact CE1-CD2 3.78Å; Y256-K332 WeakPolarHBondContact CA-O 3.42Å; Y256-K332 HydrophobicContact CD1-CB 3.63Å; Y256-K332 HydrophobicContact CD1-CD 4.01Å; Y256-K332 HydrophobicContact CD1-CG 4.44Å; Y256-K332 HydrophobicContact CE1-CB 3.89Å; Y256-K332 HydrophobicContact CE1-CD 3.32Å; Y256-K332 HydrophobicContact CE1-CG 4.21Å; Y256-K332 HydrophobicContact CG-CB 4.28Å
257E98.1Very high93.2Very high6 Ų642.6 Ų42.63%0.02826%0.262CS..EExtended strand (participates in β ladder)trans-131127.5-177.8-176.3170.116000110.1R240 V241 L242 N331 K332 I333 I334R240-E257 IonicContact CZ-OE1 3.79Å; R240-E257 IonicContact NE-OE1 3.22Å; R240-E257 PolarHBondContact NE-OE1 3.22Å; R240-E257 IonicContact NH2-OE1 3.71Å; R240-E257 PolarHBondContact NH2-OE1 3.37Å; R240-E257 IonicContact NH2-OE2 3.89Å; V241-E257 CarbonylContact O-C 3.55Å; V241-E257 WeakPolarHBondContact O-CA 3.35Å; L242-E257 HydrophobicContact CD2-CB 3.71Å; L242-E257 HydrophobicContact CD2-CG 3.69Å; E257-N331 PolarHBondContact OE2-ND2 2.96Å; E257-K332 PolarHBondContact N-O 2.93Å; E257-I333 HydrophobicContact CB-CG1 4.29Å; E257-I333 HydrophobicContact CB-CG2 4.49Å; E257-I333 CarbonylContact O-C 3.51Å; E257-I333 WeakPolarHBondContact O-CA 3.13Å; E257-I334 PolarHBondContact O-N 2.95Å
258V98.5Very high92.2Very high1 Ų141.7 Ų41.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-103.5113167.4-173.50000107V162 I165 R240 V241 M260 I334 L336V162-V258 HydrophobicContact CG2-CB 4.34Å; V162-V258 HydrophobicContact CG2-CG1 4.1Å; I165-V258 HydrophobicContact CB-CG2 4.45Å; I165-V258 HydrophobicContact CD1-CG1 4.1Å; I165-V258 HydrophobicContact CD1-CG2 4.01Å; I165-V258 HydrophobicContact CG2-CG2 3.78Å; R240-V258 WeakPolarHBondContact CA-O 3.36Å; V241-V258 PolarHBondContact N-O 3Å; V241-V258 PolarHBondContact O-N 3.12Å; V258-M260 HydrophobicContact CG1-CE 4.24Å; V258-M260 HydrophobicContact CG1-CG 4.2Å; V258-M260 HydrophobicContact CG1-SD 4.32Å; V258-I334 WeakPolarHBondContact CA-O 3.47Å; V258-L336 HydrophobicContact CG1-CD1 4.04Å; V258-L336 HydrophobicContact CG1-CG 4.38Å
259N97.6Very high91.2Very high23 Ų2346.6 Ų46.612%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-100.4131.6175.2-168.4-4.1000110.1P239 R240 E261 I334 L336P239-N259 PolarHBondContact O-OD1 2.86Å; R240-N259 HydrophobicContact CG-CB 4.17Å; R240-N259 WeakPolarHBondContact CG-OD1 3.34Å; N259-E261 PolarHBondContact ND2-OE2 2.74Å; N259-E261 VanDerWaalsContact OD1-CB 3.32Å; N259-E261 WeakPolarHBondContact OD1-CB 3.08Å; N259-E261 WeakPolarHBondContact OD1-CG 3.04Å; N259-E261 PolarHBondContact OD1-N 3.45Å; N259-E261 PolarHBondContact OD1-OE2 2.9Å; N259-I334 PolarHBondContact N-O 3.47Å; N259-L336 PolarHBondContact O-N 3.48Å
260M96.8Very high90.7Very high4 Ų452.8 Ų52.82%0.0230%0.301CS..  trans-134.111.7-176.7-66.8174.4-7400111.6C158 V162 F233 V238 P239 V241 V258 A262 L263 L336C158-M260 HydrophobicContact CB-SD 3.87Å; V162-M260 HydrophobicContact CG2-CE 3.47Å; V162-M260 VanDerWaalsContact CG2-CE 3.47Å; V162-M260 HydrophobicContact CG2-SD 4Å; F233-M260 HydrophobicContact CE1-CE 4.39Å; F233-M260 HydrophobicContact CZ-CE 4.13Å; V238-M260 WeakPolarHBondContact O-CE 3.31Å; P239-M260 CarbonylContact O-C 3.6Å; P239-M260 WeakPolarHBondContact O-CA 3.24Å; P239-M260 WeakPolarHBondContact O-CB 3.49Å; P239-M260 PolarHBondContact O-N 2.77Å; V241-M260 HydrophobicContact CG2-CE 4.09Å; V258-M260 HydrophobicContact CG1-CE 4.24Å; V258-M260 HydrophobicContact CG1-CG 4.2Å; V258-M260 HydrophobicContact CG1-SD 4.32Å; M260-A262 PolarHBondContact O-N 3.01Å; M260-L263 HydrophobicContact CB-CD1 3.76Å; M260-L263 HydrophobicContact CB-CG 4.25Å; M260-L263 HydrophobicContact CG-CD1 3.72Å; M260-L263 PolarHBondContact O-N 3.35Å; M260-L263 HydrophobicContact SD-CD1 4.39Å; M260-L336 HydrophobicContact CG-CB 4.25Å; M260-L336 HydrophobicContact CG-CD1 3.99Å; M260-L336 HydrophobicContact CG-CG 4.39Å; M260-L336 HydrophobicContact SD-CD1 4.44Å
261E94.8Very high90.6Very high57 Ų5748.1 Ų48.127%0.26628%0.28SS..THydrogen-bonded Turntrans-54.6-39.4175.4-71.3165.8163.700111R237 P239 R240 N259 L263 W348R237-E261 PolarHBondContact NH2-O 2.89Å; P239-E261 HydrophobicContact CB-CG 3.56Å; P239-E261 PolarHBondContact O-N 3.35Å; R240-E261 VanDerWaalsContact CD-CD 3.45Å; R240-E261 WeakPolarHBondContact CD-OE1 3.06Å; R240-E261 HydrophobicContact CG-CG 4.27Å; R240-E261 IonicContact NH1-OE1 2.65Å; N259-E261 PolarHBondContact ND2-OE2 2.74Å; N259-E261 VanDerWaalsContact OD1-CB 3.32Å; N259-E261 WeakPolarHBondContact OD1-CB 3.08Å; N259-E261 WeakPolarHBondContact OD1-CG 3.04Å; N259-E261 PolarHBondContact OD1-N 3.45Å; N259-E261 PolarHBondContact OD1-OE2 2.9Å; E261-L263 PolarHBondContact O-N 2.96Å; E261-W348 HydrophobicContact CB-CZ2 4.33Å; E261-W348 HydrophobicContact CG-CZ2 4.18Å
262A93.8Very high90.6Very high33 Ų3346.5 Ų46.527%0.27327%0.271SS..THydrogen-bonded Turntrans-8911.9-177.600000115.3M260 S337 T338M260-A262 PolarHBondContact O-N 3.01Å; A262-S337 WeakPolarHBondContact O-CA 3.3Å; A262-T338 PolarHBondContact O-N 3.45Å; A262-T338 VanDerWaalsContact O-N 3.1Å
263L93.4Very high90.6Very high6 Ų655.7 Ų55.73%0.03131%0.305CS..PPolyproline II helixtrans-81.6131.4173.9-72.4-179.5000111.8F149 V153 R237 M260 E261 L265 L336F149-L263 HydrophobicContact CD2-CD2 3.58Å; F149-L263 HydrophobicContact CE2-CD2 3.77Å; V153-L263 HydrophobicContact CG2-CB 4.45Å; V153-L263 HydrophobicContact CG2-CD1 4.05Å; V153-L263 HydrophobicContact CG2-CD2 4.38Å; R237-L263 PolarHBondContact NH2-O 3.35Å; M260-L263 HydrophobicContact CB-CD1 3.76Å; M260-L263 HydrophobicContact CB-CG 4.25Å; M260-L263 HydrophobicContact CG-CD1 3.72Å; M260-L263 PolarHBondContact O-N 3.35Å; M260-L263 HydrophobicContact SD-CD1 4.39Å; E261-L263 PolarHBondContact O-N 2.96Å; L263-L265 HydrophobicContact CB-CD2 4.49Å; L263-L336 HydrophobicContact CD1-CB 4Å; L263-L336 HydrophobicContact CD2-CB 3.93Å; L263-L336 HydrophobicContact CG-CB 4.05Å
264A91.7Very high90.8Very high15 Ų1550.1 Ų50.112%0.12428%0.282CS..PPolyproline II helixtrans-79.2129.9162.300000109.2A152 V153 T338 H341A152-A264 CarbonylContact C-O 3.57Å; A152-A264 VanDerWaalsContact CA-O 3.27Å; A152-A264 WeakPolarHBondContact CA-O 3.25Å; A152-A264 HydrophobicContact CB-CB 3.77Å; A152-A264 WeakPolarHBondContact CB-O 3.35Å; V153-A264 PolarHBondContact N-O 2.89Å; A264-T338 HydrophobicContact CB-CG2 3.88Å; A264-T338 PolarHBondContact N-OG1 3.12Å; A264-H341 HydrophobicContact CB-CB 4.25Å
265L91.1Very high91Very high65 Ų6551.5 Ų51.534%0.3430%0.295SS..BIsolated β-bridgetrans-103129.8178.9-60-177.4000110.3V153 R237 L263V153-L265 HydrophobicContact CG2-CD2 3.95Å; V153-L265 WeakPolarHBondContact O-CA 3.44Å; R237-L265 HydrophobicContact CG-CD1 4.13Å; L263-L265 HydrophobicContact CB-CD2 4.49Å
266A88.1Confident91.1Very high26 Ų2654.3 Ų54.322%0.21532%0.315CS..  trans-113.1139.7175.900000111.5A152 V153A152-A266 HydrophobicContact CB-CB 3.78Å; V153-A266 PolarHBondContact O-N 3.15Å
267A77.8Confident91.1Very high107 Ų10754.3 Ų54.388%0.88432%0.315SS*.  trans-89.8117168.800000110.2
268G70.5Confident91.1Very high44 Ų4455 Ų5545%0.45432%0.319SS..SBendtrans87.3-154.6172.600000115.4Q270 S271G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 2.7Å; G268-Q270 VanDerWaalsContact O-N 3.15Å; G268-S271 WeakPolarHBondContact O-CB 3.47Å; G268-S271 PolarHBondContact O-N 2.89Å; G268-S271 PolarHBondContact O-OG 2.85Å
269D72.9Confident91.1Very high167 Ų16763.2 Ų63.289%0.89335%0.35SS*.THydrogen-bonded Turntrans-73-9.3-157.4-57.2-34.9000116.1S271D269-S271 PolarHBondContact O-N 2.83Å
270Q81.2Confident91.1Very high180 Ų18065.3 Ų65.384%0.84136%0.359SS*.THydrogen-bonded Turntrans-80.92174.1-57.8-61.2-21.400112.8G268G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 2.7Å; G268-Q270 VanDerWaalsContact O-N 3.15Å
271S91.8Very high91.2Very high27 Ų2765.1 Ų65.119%0.18936%0.358CS..SBendtrans-80.8148.4178.352.60000112.8A152 T154 G268 D269A152-S271 WeakPolarHBondContact O-CA 3.19Å; T154-S271 VanDerWaalsContact CG2-CB 3.5Å; T154-S271 WeakPolarHBondContact CG2-OG 3.29Å; G268-S271 WeakPolarHBondContact O-CB 3.47Å; G268-S271 PolarHBondContact O-N 2.89Å; G268-S271 PolarHBondContact O-OG 2.85Å; D269-S271 PolarHBondContact O-N 2.83Å
272L93.7Very high91.3Very high50 Ų5065.4 Ų65.426%0.26236%0.358SS..BIsolated β-bridgetrans-65.7135.8169.8-66179.1000110.9F149 P150 G151 A152 V153 A274F149-L272 HydrophobicContact CB-CD1 3.79Å; P150-L272 HydrophobicContact CG-CD1 4.28Å; G151-L272 WeakPolarHBondContact O-CD1 3.41Å; A152-L272 PolarHBondContact O-N 2.64Å; V153-L272 HydrophobicContact CG1-CB 4.49Å; L272-A274 PolarHBondContact O-N 3.1Å
273R94.8Very high91.5Very high201 Ų20170 Ų7076%0.75837%0.369SS*.PPolyproline II helixtrans-61.1122.8175.1-67.8-177178.4-179.2-0.1110S275 S276 C277R273-S275 PolarHBondContact O-N 3.3Å; R273-S276 WeakPolarHBondContact O-CA 3.26Å; R273-S276 WeakPolarHBondContact O-CB 3.36Å; R273-S276 PolarHBondContact O-N 2.95Å; R273-C277 PolarHBondContact O-N 3.29Å
274A95.5Very high91.6Very high8 Ų870.3 Ų70.37%0.06637%0.371CS..Hα-helixtrans-53.1-31.5179.700000113.8F161 L272 S276 C277 L278F161-A274 HydrophobicContact CE1-CB 4.08Å; L272-A274 PolarHBondContact O-N 3.1Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.42Å; A274-C277 PolarHBondContact O-N 3.5Å; A274-L278 VanDerWaalsContact O-CB 3.31Å; A274-L278 WeakPolarHBondContact O-CB 3.23Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.94Å
275S96.5Very high91.8Very high58 Ų5870 Ų7041%0.40637%0.367SS..Hα-helixtrans-74.5-11.8176620000115R273 R279R273-S275 PolarHBondContact O-N 3.3Å; S275-R279 PolarHBondContact O-NE 3.22Å; S275-R279 PolarHBondContact O-NH2 2.74Å
276S96.8Very high92Very high61 Ų6175.2 Ų75.243%0.42739%0.387SS..Hα-helixtrans-85.3-49166.1-62.40000110R273 A274 L278 R279 Q280R273-S276 WeakPolarHBondContact O-CA 3.26Å; R273-S276 WeakPolarHBondContact O-CB 3.36Å; R273-S276 PolarHBondContact O-N 2.95Å; A274-S276 VanDerWaalsContact C-N 3.3Å; A274-S276 PolarHBondContact O-N 3.42Å; S276-L278 PolarHBondContact O-N 2.71Å; S276-R279 PolarHBondContact O-N 3.45Å; S276-Q280 PolarHBondContact O-N 2.98Å
277C97.8Very high92.4Very high2 Ų275.7 Ų75.71%0.01439%0.387CS..Hα-helixtrans-57-45.4176.6-60.10000112.3F149 F161 R273 A274 R279 Q280 I281F149-C277 HydrophobicContact CD1-CB 4.1Å; F149-C277 HydrophobicContact CE1-CB 3.56Å; F149-C277 HydrophobicContact CE2-CB 4.41Å; F149-C277 HydrophobicContact CZ-CB 3.76Å; F161-C277 HydrophobicContact CD1-CB 4.45Å; F161-C277 HydrophobicContact CE1-CB 3.43Å; F161-C277 VanDerWaalsContact CE1-CB 3.43Å; F161-C277 HydrophobicContact CE2-CB 4.36Å; F161-C277 HydrophobicContact CZ-CB 3.37Å; R273-C277 PolarHBondContact O-N 3.29Å; A274-C277 PolarHBondContact O-N 3.5Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 3.06Å; C277-Q280 WeakPolarHBondContact O-CB 3.47Å; C277-Q280 PolarHBondContact O-N 2.92Å; C277-Q280 VanDerWaalsContact O-N 3.13Å; C277-I281 WeakPolarHBondContact O-CG1 3.24Å; C277-I281 PolarHBondContact O-N 2.88Å
278L98.3Very high93.1Very high21 Ų2170.7 Ų70.711%0.1135%0.346CS..Hα-helixtrans-58.2-39.5174.2-78.1168.7000112.9F161 E164 A274 S276 F282F161-L278 HydrophobicContact CD1-CD2 3.86Å; F161-L278 HydrophobicContact CD1-CG 3.89Å; F161-L278 HydrophobicContact CE1-CG 4.23Å; E164-L278 HydrophobicContact CB-CD2 3.76Å; E164-L278 HydrophobicContact CG-CD1 4.1Å; E164-L278 HydrophobicContact CG-CD2 3.9Å; A274-L278 VanDerWaalsContact O-CB 3.31Å; A274-L278 WeakPolarHBondContact O-CB 3.23Å; A274-L278 VanDerWaalsContact O-CG 3.26Å; A274-L278 WeakPolarHBondContact O-CG 3.41Å; A274-L278 PolarHBondContact O-N 2.94Å; S276-L278 PolarHBondContact O-N 2.71Å; L278-F282 HydrophobicContact CD2-CE2 4.06Å; L278-F282 WeakPolarHBondContact O-CD2 3.4Å; L278-F282 PolarHBondContact O-N 3.48Å
279R98.2Very high94.2Very high173 Ų17373.1 Ų73.165%0.65335%0.349SS*.Hα-helixtrans-68.8-35.9176.5-85.5-179.1-75.5-177-1.2111.8S275 S276 C277 R283S275-R279 PolarHBondContact O-NE 3.22Å; S275-R279 PolarHBondContact O-NH2 2.74Å; S276-R279 PolarHBondContact O-N 3.45Å; C277-R279 VanDerWaalsContact C-N 3.31Å; C277-R279 PolarHBondContact O-N 3.06Å; R279-R283 WeakPolarHBondContact O-CB 3.45Å; R279-R283 PolarHBondContact O-N 2.94Å
280Q97.8Very high95Very high67 Ų6765.5 Ų65.531%0.31331%0.308SS..Hα-helixtrans-66.7-49.7172.9-169.3-179.2-12.900111.3V147 V148 F149 S276 C277 F282 R283 T284V147-Q280 HydrophobicContact CG1-CG 4.02Å; V148-Q280 PolarHBondContact O-NE2 2.97Å; F149-Q280 HydrophobicContact CE1-CB 4.44Å; S276-Q280 PolarHBondContact O-N 2.98Å; C277-Q280 WeakPolarHBondContact O-CB 3.47Å; C277-Q280 PolarHBondContact O-N 2.92Å; C277-Q280 VanDerWaalsContact O-N 3.13Å; Q280-F282 PolarHBondContact O-N 2.79Å; Q280-R283 PolarHBondContact O-N 2.85Å; Q280-R283 VanDerWaalsContact O-N 3.16Å; Q280-T284 PolarHBondContact O-N 3.41Å; Q280-T284 PolarHBondContact O-OG1 3.22Å; Q280-T284 VanDerWaalsContact O-OG1 3.11Å
281I98.3Very high95.4Very high0 Ų057.5 Ų57.50%027%0.271CS..Hα-helixtrans-49.6-55.4174.6-69.6165.7000110.3V147 F149 F161 I165 C277 R283 T284 L285 L336V147-I281 HydrophobicContact CG1-CG1 4.16Å; F149-I281 HydrophobicContact CE1-CG1 4.24Å; F149-I281 HydrophobicContact CZ-CD1 3.93Å; F149-I281 HydrophobicContact CZ-CG1 3.86Å; F161-I281 HydrophobicContact CB-CD1 3.87Å; F161-I281 HydrophobicContact CD1-CD1 3.78Å; F161-I281 HydrophobicContact CD2-CD1 4.25Å; F161-I281 HydrophobicContact CE1-CD1 4.46Å; F161-I281 HydrophobicContact CG-CD1 3.68Å; I165-I281 HydrophobicContact CD1-CG2 4.08Å; I165-I281 HydrophobicContact CG1-CG2 4.15Å; C277-I281 WeakPolarHBondContact O-CG1 3.24Å; C277-I281 PolarHBondContact O-N 2.88Å; I281-R283 PolarHBondContact O-N 3.33Å; I281-T284 PolarHBondContact O-N 2.64Å; I281-L285 HydrophobicContact CG2-CD1 3.63Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.18Å; I281-L285 PolarHBondContact O-N 2.93Å; I281-L336 HydrophobicContact CD1-CD1 4.1Å; I281-L336 HydrophobicContact CD1-CD2 4.09Å; I281-L336 HydrophobicContact CG1-CD2 3.88Å
282F97.7Very high95Very high63 Ų6358.5 Ų58.528%0.27628%0.278SS..Hα-helixtrans-72.7-24.7-176.6-69.9-56000114E164 C168 L278 Q280 L285 F286E164-F282 HydrophobicContact CB-CE2 3.87Å; E164-F282 HydrophobicContact CB-CZ 3.84Å; C168-F282 HydrophobicContact CB-CE1 3.64Å; C168-F282 HydrophobicContact CB-CZ 4.05Å; L278-F282 HydrophobicContact CD2-CE2 4.06Å; L278-F282 WeakPolarHBondContact O-CD2 3.4Å; L278-F282 PolarHBondContact O-N 3.48Å; Q280-F282 PolarHBondContact O-N 2.79Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CE1-CD1 4.26Å; F282-F286 WeakPolarHBondContact O-CB 3.32Å; F282-F286 PolarHBondContact O-N 3.29Å
283R97Very high94.1Very high129 Ų12958.5 Ų58.549%0.48728%0.278SS..Hα-helixtrans-63.8-52168.3-164.7-16399.8176.29.9110.2D132 R279 Q280 I281 F286 V287D132-R283 IonicContact OD1-NH2 3.39Å; D132-R283 PolarHBondContact OD1-NH2 3.25Å; D132-R283 VanDerWaalsContact OD1-NH2 3.15Å; D132-R283 IonicContact OD2-NH2 2.67Å; R279-R283 WeakPolarHBondContact O-CB 3.45Å; R279-R283 PolarHBondContact O-N 2.94Å; Q280-R283 PolarHBondContact O-N 2.85Å; Q280-R283 VanDerWaalsContact O-N 3.16Å; I281-R283 PolarHBondContact O-N 3.33Å; R283-F286 PolarHBondContact O-N 3.45Å; R283-V287 WeakPolarHBondContact O-CG2 3.41Å; R283-V287 PolarHBondContact O-N 3.13Å
284T96.8Very high92.6Very high13 Ų1357 Ų578%0.0829%0.285CS..Hα-helixtrans-65.5-41.4-178-46.10000111.6V135 V145 V147 Q280 I281 F286 V287 A288V135-T284 HydrophobicContact CG1-CG2 3.75Å; V135-T284 HydrophobicContact CG2-CG2 4.16Å; V145-T284 HydrophobicContact CG1-CG2 3.47Å; V145-T284 VanDerWaalsContact CG1-CG2 3.47Å; V147-T284 HydrophobicContact CG2-CG2 4.41Å; Q280-T284 PolarHBondContact O-N 3.41Å; Q280-T284 PolarHBondContact O-OG1 3.22Å; Q280-T284 VanDerWaalsContact O-OG1 3.11Å; I281-T284 PolarHBondContact O-N 2.64Å; T284-F286 VanDerWaalsContact C-N 3.31Å; T284-F286 PolarHBondContact O-N 3.03Å; T284-V287 PolarHBondContact O-N 3.24Å; T284-A288 WeakPolarHBondContact O-CB 2.95Å; T284-A288 PolarHBondContact O-N 3.15Å
285L96Very high91.3Very high8 Ų861.8 Ų61.84%0.04231%0.31CS..Hα-helixtrans-65.3-30.8175.5-69.7176.3000113.7V145 I281 F282 D289 L290 I334V145-L285 HydrophobicContact CB-CD2 4.4Å; V145-L285 HydrophobicContact CG1-CD2 4.32Å; I281-L285 HydrophobicContact CG2-CD1 3.63Å; I281-L285 HydrophobicContact CG2-CG 4.25Å; I281-L285 WeakPolarHBondContact O-CB 3.36Å; I281-L285 VanDerWaalsContact O-CG 3.29Å; I281-L285 WeakPolarHBondContact O-CG 3.18Å; I281-L285 PolarHBondContact O-N 2.93Å; F282-L285 HydrophobicContact CD1-CD1 4.09Å; F282-L285 HydrophobicContact CE1-CD1 4.26Å; L285-D289 PolarHBondContact O-N 2.92Å; L285-L290 HydrophobicContact CD2-CB 4.39Å; L285-L290 HydrophobicContact CD2-CD2 3.88Å; L285-I334 HydrophobicContact CD1-CD1 4.05Å; L285-I334 HydrophobicContact CD2-CD1 3.79Å; L285-I334 HydrophobicContact CD2-CG1 3.87Å; L285-I334 HydrophobicContact CD2-CG2 4.21Å
286F94.9Very high89.8Confident175 Ų17564 Ų6477%0.76832%0.323SS*.Hα-helixtrans-73.6-47.3175.1176.3-96.5000111.5F282 R283 T284 A288 D289F282-F286 WeakPolarHBondContact O-CB 3.32Å; F282-F286 PolarHBondContact O-N 3.29Å; R283-F286 PolarHBondContact O-N 3.45Å; T284-F286 VanDerWaalsContact C-N 3.31Å; T284-F286 PolarHBondContact O-N 3.03Å; F286-A288 VanDerWaalsContact C-N 3.33Å; F286-A288 PolarHBondContact O-N 3.4Å; F286-D289 PolarHBondContact O-N 3.17Å
287V95.3Very high88.5Confident35 Ų3562.8 Ų62.821%0.21231%0.313CS..Hα-helixtrans-57.3-47.3174167.30000110.8D132 V135 V136 R283 T284 D289D132-V287 HydrophobicContact CB-CG1 3.62Å; V135-V287 HydrophobicContact CB-CG1 4.5Å; V135-V287 HydrophobicContact CG1-CG1 4.13Å; V136-V287 HydrophobicContact CG2-CG1 4.16Å; V136-V287 WeakPolarHBondContact CG2-O 3.48Å; R283-V287 WeakPolarHBondContact O-CG2 3.41Å; R283-V287 PolarHBondContact O-N 3.13Å; T284-V287 PolarHBondContact O-N 3.24Å; V287-D289 PolarHBondContact O-N 3.46Å
288A93.8Very high87.8Confident2 Ų271.1 Ų71.12%0.01734%0.344CS..THydrogen-bonded Turntrans-64-17.7179.300000115.3V135 A139 V145 T284 F286 L290V135-A288 HydrophobicContact CG1-CB 3.75Å; A139-A288 HydrophobicContact CB-CB 3.67Å; A139-A288 VanDerWaalsContact CB-O 3.3Å; A139-A288 WeakPolarHBondContact CB-O 3.42Å; V145-A288 HydrophobicContact CG2-CB 3.35Å; T284-A288 WeakPolarHBondContact O-CB 2.95Å; T284-A288 PolarHBondContact O-N 3.15Å; F286-A288 VanDerWaalsContact C-N 3.33Å; F286-A288 PolarHBondContact O-N 3.4Å; A288-L290 HydrophobicContact CB-CB 4.12Å; A288-L290 PolarHBondContact O-N 2.97Å
289D92.3Very high87.4Confident96 Ų9674.1 Ų74.151%0.51336%0.359SS..THydrogen-bonded Turntrans50.819.4-167.6-159.138.1000114.4L285 F286 V287 L291 S292L285-D289 PolarHBondContact O-N 2.92Å; F286-D289 PolarHBondContact O-N 3.17Å; V287-D289 PolarHBondContact O-N 3.46Å; D289-L291 PolarHBondContact O-N 2.74Å; D289-S292 VanDerWaalsContact CG-CB 3.43Å; D289-S292 WeakPolarHBondContact O-CB 3.48Å; D289-S292 PolarHBondContact O-N 3.33Å; D289-S292 WeakPolarHBondContact OD1-CB 3.36Å; D289-S292 PolarHBondContact OD1-OG 3.17Å; D289-S292 VanDerWaalsContact OD2-CB 3.31Å; D289-S292 WeakPolarHBondContact OD2-CB 3.32Å
290L91.3Very high87.1Confident6 Ų666.4 Ų66.43%0.03133%0.331CS..THydrogen-bonded Turntrans-58.2-31.9-165-17771.4000113A139 V145 L285 A288 K332 I334A139-L290 HydrophobicContact CB-CB 4.48Å; A139-L290 HydrophobicContact CB-CD1 4.1Å; V145-L290 HydrophobicContact CB-CD2 4.17Å; V145-L290 HydrophobicContact CG2-CB 4.02Å; V145-L290 HydrophobicContact CG2-CD1 4.32Å; V145-L290 HydrophobicContact CG2-CD2 3.79Å; V145-L290 HydrophobicContact CG2-CG 4.24Å; L285-L290 HydrophobicContact CD2-CB 4.39Å; L285-L290 HydrophobicContact CD2-CD2 3.88Å; A288-L290 HydrophobicContact CB-CB 4.12Å; A288-L290 PolarHBondContact O-N 2.97Å; L290-K332 HydrophobicContact CD1-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 4.2Å; L290-K332 HydrophobicContact CG-CB 4.43Å; L290-K332 VanDerWaalsContact O-CD 3.3Å; L290-K332 WeakPolarHBondContact O-CD 3.35Å; L290-K332 WeakPolarHBondContact O-CE 3.34Å; L290-K332 PolarHBondContact O-NZ 3.32Å; L290-I334 HydrophobicContact CD2-CG1 3.87Å
291L89.4Confident87Confident12 Ų1266.4 Ų66.46%0.06334%0.337CS..THydrogen-bonded Turntrans-85.9-15.4-176.9-57.7-169.9000113.6C168 I169 Q172 R173 Y256 D289C168-L291 HydrophobicContact CB-CD1 4.47Å; I169-L291 HydrophobicContact CD1-CD2 4.35Å; I169-L291 HydrophobicContact CG1-CD1 3.9Å; I169-L291 HydrophobicContact CG1-CD2 3.81Å; Q172-L291 HydrophobicContact CB-CB 4.13Å; Q172-L291 HydrophobicContact CG-CB 4.23Å; Q172-L291 HydrophobicContact CG-CD1 4.37Å; R173-L291 WeakPolarHBondContact CD-O 3.39Å; Y256-L291 HydrophobicContact CD1-CD2 3.95Å; Y256-L291 HydrophobicContact CE1-CD2 3.78Å; D289-L291 PolarHBondContact O-N 2.74Å
292S82.4Confident86.9Confident49 Ų4966.4 Ų66.434%0.34334%0.337SS..  trans-69153.9172.7-65.60000111.2D289 K332D289-S292 VanDerWaalsContact CG-CB 3.43Å; D289-S292 WeakPolarHBondContact O-CB 3.48Å; D289-S292 PolarHBondContact O-N 3.33Å; D289-S292 WeakPolarHBondContact OD1-CB 3.36Å; D289-S292 PolarHBondContact OD1-OG 3.17Å; D289-S292 VanDerWaalsContact OD2-CB 3.31Å; D289-S292 WeakPolarHBondContact OD2-CB 3.32Å; S292-K332 PolarHBondContact O-NZ 2.91Å
293D75.2Confident86.9Confident50 Ų5064.5 Ų64.527%0.26733%0.33SS..  trans-166.9130.8171.5160.239000108.4R173 N295R173-D293 IonicContact CZ-OD2 2.69Å; R173-D293 IonicContact NH1-OD2 2.77Å; R173-D293 IonicContact NH2-OD2 2.9Å; R173-D293 PolarHBondContact NH2-OD2 3.26Å; D293-N295 VanDerWaalsContact C-N 3.28Å; D293-N295 PolarHBondContact O-N 2.74Å; D293-N295 PolarHBondContact OD1-N 3.25Å; D293-N295 PolarHBondContact OD1-ND2 2.89Å; D293-N295 WeakPolarHBondContact OD2-CB 3.39Å
294N62.9Low87Confident168 Ų16858.4 Ų58.490%0.89831%0.308SS*.  trans-81-4-174.7-63.8-31.3000113.3
295N68.4Low87.1Confident109 Ų10957.8 Ų57.858%0.58330%0.304SS*.SBendtrans-67.2143.8174.5-73.5-79.9000111.6D293 V297D293-N295 VanDerWaalsContact C-N 3.28Å; D293-N295 PolarHBondContact O-N 2.74Å; D293-N295 PolarHBondContact OD1-N 3.25Å; D293-N295 PolarHBondContact OD1-ND2 2.89Å; D293-N295 WeakPolarHBondContact OD2-CB 3.39Å; N295-V297 PolarHBondContact O-N 3.01Å
296P64.4Low87.2Confident105 Ų10557.4 Ų57.468%0.68230%0.302SS*.  trans-65.8103.1179.826.7-34.4000110.5
297V69.6Low87.3Confident36 Ų3649.8 Ų49.822%0.21827%0.269CS..  trans-61.3135.2-173.4-1710000110.4R173 Q174 N295R173-V297 WeakPolarHBondContact O-CG1 3.43Å; Q174-V297 HydrophobicContact CB-CB 4.25Å; Q174-V297 HydrophobicContact CB-CG1 3.83Å; Q174-V297 HydrophobicContact CG-CB 4.27Å; Q174-V297 HydrophobicContact CG-CG1 4.24Å; Q174-V297 HydrophobicContact CG-CG2 4.24Å; N295-V297 PolarHBondContact O-N 3.01Å
298R83.4Confident87.4Confident177 Ų17748.1 Ų48.167%0.66826%0.259SS*.  trans-116.9150.7174.7-56.1-171.8-168-173.13.9108.9Q175 M300Q175-R298 PolarHBondContact NE2-O 3.48Å; R298-M300 WeakPolarHBondContact O-CG 3.48Å; R298-M300 PolarHBondContact O-N 3.27Å
299L90.7Very high87.6Confident83 Ų8350.6 Ų50.644%0.43527%0.27SS..  trans-62128.2168.6-61.1-179.5000109.5Q174 T364Q174-L299 WeakPolarHBondContact O-CD2 3.22Å; L299-T364 HydrophobicContact CD1-CG2 4.29Å; L299-T364 HydrophobicContact CD2-CG2 4.07Å; L299-T364 HydrophobicContact CG-CG2 4.43Å
300M92.5Very high87.8Confident12 Ų1251.7 Ų51.76%0.05927%0.267CS..  trans-140.7135.8-172.7-72-171.8-65.600110.1Q175 M245 K253 E254 R298 T302Q175-M300 PolarHBondContact OE1-O 3.42Å; Q175-M300 VanDerWaalsContact OE1-O 3.09Å; M245-M300 HydrophobicContact CB-CE 4.24Å; K253-M300 HydrophobicContact CB-SD 3.97Å; K253-M300 HydrophobicContact CD-SD 3.42Å; K253-M300 WeakPolarHBondContact CD-SD 3.45Å; K253-M300 HydrophobicContact CG-SD 4.33Å; E254-M300 WeakPolarHBondContact OE1-CE 3.33Å; R298-M300 WeakPolarHBondContact O-CG 3.48Å; R298-M300 PolarHBondContact O-N 3.27Å; M300-T302 PolarHBondContact O-N 3.47Å
301P94.6Very high88Confident66 Ų6657.5 Ų57.543%0.42929%0.294SS..EExtended strand (participates in β ladder)trans-65.7128.5171.228.5-33.4000109.4G246 A359 I360G246-P301 PolarHBondContact N-O 2.9Å; P301-A359 HydrophobicContact CB-CB 4.09Å; P301-I360 CarbonylContact C-O 3.47Å; P301-I360 WeakPolarHBondContact CA-O 3.44Å
302T96.8Very high88.2Confident0 Ų057.7 Ų57.70%030%0.296CS..EExtended strand (participates in β ladder)trans-103.3116.3178.5-57.80000109.4L170 L243 L244 M245 M300 A359 I360L170-T302 HydrophobicContact CD2-CG2 4.1Å; L243-T302 HydrophobicContact CB-CG2 4.35Å; L244-T302 WeakPolarHBondContact O-CA 3.21Å; M245-T302 HydrophobicContact CG-CG2 4.06Å; M300-T302 PolarHBondContact O-N 3.47Å; T302-A359 CarbonylContact O-C 3.57Å; T302-A359 VanDerWaalsContact O-CA 3.31Å; T302-A359 WeakPolarHBondContact O-CA 3.33Å; T302-I360 PolarHBondContact N-O 2.65Å; T302-I360 PolarHBondContact O-N 3.46Å
303T97.4Very high88.8Confident23 Ų2358.5 Ų58.514%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-101.7125.8177.7-50.40000109.3L244 L249 L305 Q355 A359L244-T303 PolarHBondContact N-O 3.47Å; L244-T303 PolarHBondContact O-N 3.38Å; L249-T303 HydrophobicContact CD2-CG2 4.11Å; T303-L305 HydrophobicContact CG2-CD1 4.31Å; T303-Q355 HydrophobicContact CG2-CG 3.65Å; T303-A359 WeakPolarHBondContact OG1-CB 3.38Å
304V98.4Very high89.7Confident2 Ų256.8 Ų56.81%0.01230%0.304CS..EExtended strand (participates in β ladder)trans-96.2137.7175.3178.40000110.5L166 L225 L229 V241 L242 L243 A356L166-V304 HydrophobicContact CD1-CG2 4.12Å; L225-V304 HydrophobicContact CD1-CB 4.26Å; L225-V304 HydrophobicContact CD2-CB 4.36Å; L225-V304 HydrophobicContact CD2-CG2 3.82Å; L229-V304 HydrophobicContact CD2-CG1 4.34Å; V241-V304 HydrophobicContact CG1-CG1 3.9Å; L242-V304 WeakPolarHBondContact O-CA 3.35Å; L243-V304 HydrophobicContact CG-CG2 4.33Å; V304-A356 PolarHBondContact O-N 3.37Å
305L98.6Very high91.2Very high0 Ų051.3 Ų51.30%029%0.286CS..EExtended strand (participates in β ladder)trans-126.8143167.2-58.288.9000109.6V241 L242 L244 L249 T303 F323 W353 F354 Q355V241-L305 CarbonylContact C-O 3.6Å; V241-L305 WeakPolarHBondContact CA-O 3.41Å; V241-L305 WeakPolarHBondContact CG1-O 3.09Å; L242-L305 HydrophobicContact CB-CB 4.41Å; L242-L305 PolarHBondContact N-O 3.48Å; L242-L305 PolarHBondContact O-N 2.94Å; L244-L305 HydrophobicContact CD1-CD1 3.54Å; L244-L305 HydrophobicContact CG-CD1 3.7Å; L249-L305 HydrophobicContact CD2-CD1 4.34Å; T303-L305 HydrophobicContact CG2-CD1 4.31Å; L305-F323 HydrophobicContact CD2-CD1 4.21Å; L305-F323 HydrophobicContact CD2-CD2 4.12Å; L305-F323 HydrophobicContact CD2-CE1 4.09Å; L305-F323 HydrophobicContact CD2-CE2 4.01Å; L305-F323 HydrophobicContact CD2-CG 4.22Å; L305-F323 HydrophobicContact CD2-CZ 4Å; L305-W353 HydrophobicContact CB-CE3 3.89Å; L305-W353 HydrophobicContact CB-CZ3 4.38Å; L305-F354 CarbonylContact C-O 3.53Å; L305-F354 VanDerWaalsContact CA-O 3.22Å; L305-F354 WeakPolarHBondContact CA-O 3.27Å; L305-Q355 HydrophobicContact CD1-CG 4.39Å; L305-Q355 HydrophobicContact CD2-CB 4.01Å; L305-Q355 HydrophobicContact CD2-CG 4.14Å; L305-Q355 HydrophobicContact CG-CB 3.99Å; L305-Q355 HydrophobicContact CG-CG 3.87Å
306A98.4Very high92.6Very high0 Ų047.8 Ų47.80%027%0.265CS..EExtended strand (participates in β ladder)trans-125.7142173.500000109.8L232 V238 V241 F354L232-A306 HydrophobicContact CD2-CB 3.56Å; V238-A306 HydrophobicContact CG1-CB 4.01Å; V241-A306 HydrophobicContact CG2-CB 4.12Å; A306-F354 PolarHBondContact N-O 2.93Å; A306-F354 PolarHBondContact O-N 2.78Å
307L98.1Very high94.2Very high14 Ų1442.9 Ų42.97%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-89.3119.2173.9-177.257.9000108V238 P239 R240 W353V238-L307 WeakPolarHBondContact CA-O 3.35Å; P239-L307 VanDerWaalsContact CD-O 3.3Å; P239-L307 WeakPolarHBondContact CD-O 3.36Å; P239-L307 HydrophobicContact CG-CB 4.13Å; P239-L307 HydrophobicContact CG-CD2 3.86Å; P239-L307 HydrophobicContact CG-CG 3.84Å; R240-L307 HydrophobicContact CB-CB 4.24Å; R240-L307 HydrophobicContact CB-CD2 4.39Å; R240-L307 PolarHBondContact O-N 3.05Å; L307-W353 HydrophobicContact CB-CD2 4.14Å; L307-W353 HydrophobicContact CB-CE3 3.96Å; L307-W353 HydrophobicContact CB-CH2 3.92Å; L307-W353 HydrophobicContact CB-CZ2 4.08Å; L307-W353 HydrophobicContact CB-CZ3 3.85Å; L307-W353 HydrophobicContact CD1-CD2 4.24Å; L307-W353 HydrophobicContact CD1-CG 4.31Å; L307-W353 HydrophobicContact CD2-CZ2 4.15Å
308A97.6Very high95.6Very high0 Ų047.6 Ų47.60%025%0.247CC..EExtended strand (participates in β ladder)trans-145.6162.5-175.900000111.2L232 V238 R310 Y351 V352 F354L232-A308 HydrophobicContact CD1-CB 3.82Å; L232-A308 HydrophobicContact CG-CB 4.49Å; V238-A308 HydrophobicContact CG2-CB 4.48Å; A308-R310 PolarHBondContact O-N 2.88Å; A308-Y351 CarbonylContact O-C 3.59Å; A308-Y351 WeakPolarHBondContact O-CA 3.3Å; A308-V352 PolarHBondContact N-O 2.78Å; A308-V352 VanDerWaalsContact N-O 3.16Å; A308-V352 PolarHBondContact O-N 3.36Å; A308-F354 HydrophobicContact CB-CD2 3.85Å; A308-F354 HydrophobicContact CB-CE2 4.12Å
309H97Very high96.3Very high55 Ų5542.6 Ų42.626%0.25524%0.237SC..EExtended strand (participates in β ladder)trans-61.3134.1-177.3-173.6-111.1000111.3S236 E311 C312 Y351S236-H309 PolarHBondContact OG-N 3.22Å; S236-H309 VanDerWaalsContact OG-N 3.08Å; H309-E311 PolarHBondContact O-N 3.48Å; H309-C312 WeakPolarHBondContact O-CB 3.38Å; H309-C312 PolarHBondContact O-N 3.16Å; H309-C312 PolarHBondContact O-SG 2.73Å; H309-Y351 HydrophobicContact CB-CE1 4.26Å; H309-Y351 HydrophobicContact CB-CE2 4.28Å
310R96Very high96.6Very high118 Ų11842 Ų4245%0.44523%0.231SC..THydrogen-bonded Turntrans-58.7-26.6-171.968.2171.7-171.5-103.2-35114.5A308 D350 V352A308-R310 PolarHBondContact O-N 2.88Å; R310-D350 WeakPolarHBondContact CB-O 3.41Å; R310-D350 WeakPolarHBondContact CG-O 3.36Å; R310-D350 VanDerWaalsContact CZ-CG 3.48Å; R310-D350 IonicContact CZ-OD1 3.69Å; R310-D350 IonicContact CZ-OD2 3.36Å; R310-D350 PolarHBondContact N-O 3.46Å; R310-D350 IonicContact NH1-OD1 3.49Å; R310-D350 PolarHBondContact NH1-OD1 3.12Å; R310-D350 IonicContact NH1-OD2 2.68Å; R310-D350 PolarHBondContact NH1-OD2 2.79Å; R310-D350 IonicContact NH2-OD1 3.32Å; R310-D350 IonicContact NH2-OD2 2.83Å; R310-D350 PolarHBondContact NH2-OD2 3.06Å; R310-V352 HydrophobicContact CB-CG1 4.1Å; R310-V352 HydrophobicContact CB-CG2 4.01Å
311E95.2Very high96.6Very high129 Ų12948.1 Ų48.160%0.60326%0.263SS*.THydrogen-bonded Turntrans-103.112.6-177.8-77.6152.9-12300113.6H309 G313H309-E311 PolarHBondContact O-N 3.48Å; E311-G313 PolarHBondContact O-N 3.45Å
312C95.4Very high96.6Very high16 Ų1653.9 Ų53.911%0.10829%0.285CS..SBendtrans-62.7-11.3179.565.50000115.4L235 H309 V314L235-C312 HydrophobicContact CB-CB 4.32Å; H309-C312 WeakPolarHBondContact O-CB 3.38Å; H309-C312 PolarHBondContact O-N 3.16Å; H309-C312 PolarHBondContact O-SG 2.73Å; C312-V314 VanDerWaalsContact C-N 3.33Å; C312-V314 PolarHBondContact O-N 2.88Å
313G94.1Very high96.6Very high66 Ų6655.4 Ų55.468%0.6829%0.291SS*.  trans77.57.1174.200000116E311 G315E311-G313 PolarHBondContact O-N 3.45Å; G313-G315 PolarHBondContact O-N 3.21Å
314V95Very high96.4Very high14 Ų1463 Ų639%0.08532%0.322CS..  trans-59.2122178.368.60000112M231 L232 L235 C312 F317 F354M231-V314 HydrophobicContact CE-CG2 3.95Å; M231-V314 HydrophobicContact SD-CG2 4.13Å; L232-V314 HydrophobicContact CB-CG2 4.37Å; L232-V314 HydrophobicContact CD1-CB 3.91Å; L232-V314 HydrophobicContact CD1-CG1 3.88Å; L232-V314 HydrophobicContact CD1-CG2 4.03Å; L235-V314 HydrophobicContact CD1-CB 4.43Å; C312-V314 VanDerWaalsContact C-N 3.33Å; C312-V314 PolarHBondContact O-N 2.88Å; V314-F317 HydrophobicContact CG1-CB 4.28Å; V314-F317 HydrophobicContact CG2-CB 4.21Å; V314-F317 HydrophobicContact CG2-CD2 3.95Å; V314-F354 HydrophobicContact CG1-CD1 3.47Å; V314-F354 VanDerWaalsContact CG1-CD1 3.47Å; V314-F354 HydrophobicContact CG1-CE1 3.35Å; V314-F354 HydrophobicContact CG1-CG 4.15Å; V314-F354 HydrophobicContact CG1-CZ 3.93Å
315G94.4Very high96.3Very high52 Ų5264.7 Ų64.754%0.53633%0.333SS..SBendtrans-92.4-25-174.400000116.1G313 R318G313-G315 PolarHBondContact O-N 3.21Å; G315-R318 PolarHBondContact O-NH1 2.89Å
316W97.7Very high96.1Very high36 Ų3665.2 Ų65.214%0.13634%0.336CS..SBendtrans-86.2-50.7-173.2-173.592.1000112.6E224 L225 Q228 A356 P357E224-W316 HydrophobicContact CG-CZ2 3.91Å; E224-W316 PolarHBondContact OE1-NE1 3.43Å; L225-W316 HydrophobicContact CB-CH2 4.23Å; L225-W316 HydrophobicContact CD1-CH2 3.89Å; L225-W316 HydrophobicContact CD1-CZ3 3.88Å; Q228-W316 HydrophobicContact CB-CD2 3.82Å; Q228-W316 HydrophobicContact CB-CE3 3.55Å; Q228-W316 HydrophobicContact CB-CG 4.34Å; Q228-W316 HydrophobicContact CB-CH2 4.33Å; Q228-W316 HydrophobicContact CB-CZ3 3.82Å; Q228-W316 HydrophobicContact CG-CB 4.36Å; Q228-W316 HydrophobicContact CG-CD2 3.55Å; Q228-W316 HydrophobicContact CG-CE3 3.85Å; Q228-W316 HydrophobicContact CG-CG 3.79Å; Q228-W316 HydrophobicContact CG-CH2 4.43Å; Q228-W316 HydrophobicContact CG-CZ2 4.18Å; Q228-W316 HydrophobicContact CG-CZ3 4.27Å; W316-A356 HydrophobicContact CH2-CB 4.09Å; W316-A356 HydrophobicContact CZ3-CB 3.81Å; W316-P357 HydrophobicContact CD2-CG 3.79Å; W316-P357 VanDerWaalsContact CE3-CD 3.43Å; W316-P357 HydrophobicContact CE3-CG 4.12Å; W316-P357 HydrophobicContact CG-CG 4.37Å; W316-P357 HydrophobicContact CH2-CG 4.21Å; W316-P357 HydrophobicContact CZ2-CG 3.86Å; W316-P357 VanDerWaalsContact CZ3-CD 3.45Å; W316-P357 HydrophobicContact CZ3-CG 4.33Å
317F98Very high95.7Very high1 Ų171.8 Ų71.80%0.00438%0.376CS..SBendtrans-62.9150.6171.2-75.8-95.9000111.3L225 Q228 L229 L232 V314 F354 Q355 A356L225-F317 HydrophobicContact CD1-CZ 4.16Å; Q228-F317 HydrophobicContact CB-CE2 3.99Å; L229-F317 HydrophobicContact CD2-CE1 4.41Å; L229-F317 HydrophobicContact CD2-CE2 4.49Å; L229-F317 HydrophobicContact CD2-CZ 3.7Å; L229-F317 HydrophobicContact CG-CZ 4.02Å; L232-F317 HydrophobicContact CB-CD2 4.35Å; L232-F317 HydrophobicContact CB-CE2 4.19Å; L232-F317 HydrophobicContact CD2-CD1 4.46Å; L232-F317 HydrophobicContact CD2-CD2 4.06Å; L232-F317 HydrophobicContact CD2-CE1 4.45Å; L232-F317 HydrophobicContact CD2-CE2 4.04Å; L232-F317 HydrophobicContact CD2-CG 4.31Å; L232-F317 HydrophobicContact CD2-CZ 4.26Å; V314-F317 HydrophobicContact CG1-CB 4.28Å; V314-F317 HydrophobicContact CG2-CB 4.21Å; V314-F317 HydrophobicContact CG2-CD2 3.95Å; F317-F354 HydrophobicContact CB-CB 3.87Å; F317-F354 HydrophobicContact CB-CD1 4.03Å; F317-F354 HydrophobicContact CB-CG 4.39Å; F317-F354 HydrophobicContact CD1-CB 4.24Å; F317-F354 HydrophobicContact CG-CB 4.32Å; F317-Q355 WeakPolarHBondContact CA-O 3.25Å; F317-Q355 VanDerWaalsContact CD1-C 3.47Å; F317-A356 HydrophobicContact CD1-CB 4.42Å; F317-A356 HydrophobicContact CE1-CB 4.02Å
318R97.8Very high95.3Very high135 Ų13579.4 Ų79.451%0.50940%0.404SS..EExtended strand (participates in β ladder)trans-110.4118.9-178.9-57.7-53.2-173.5-158.4-1.2110.6G315 Q355 P357G315-R318 PolarHBondContact O-NH1 2.89Å; R318-Q355 PolarHBondContact N-O 2.99Å; R318-Q355 PolarHBondContact O-N 2.7Å; R318-P357 HydrophobicContact CG-CB 4.5Å
319P97.5Very high94.8Very high72 Ų7280.8 Ų80.847%0.46841%0.412SS..EExtended strand (participates in β ladder)trans-65.4145.1179.726-33.5000111.8V352 W353 F354P319-V352 HydrophobicContact CB-CG2 4.38Å; P319-W353 CarbonylContact C-O 3.56Å; P319-F354 HydrophobicContact CB-CD1 4.06Å; P319-F354 HydrophobicContact CB-CE1 3.76Å; P319-F354 HydrophobicContact CB-CZ 4.22Å; P319-F354 HydrophobicContact CG-CE1 4.18Å
320K96.9Very high94.3Very high71 Ų7183.9 Ų83.931%0.30943%0.425SS..  trans-129.968.9-175.3-59.3-63.3-177.6163.30110.6Q322 F323 W353 Q355K320-Q322 PolarHBondContact O-N 2.83Å; K320-F323 HydrophobicContact CB-CB 3.66Å; K320-F323 WeakPolarHBondContact O-CB 3.24Å; K320-F323 PolarHBondContact O-N 3.15Å; K320-W353 HydrophobicContact CB-CB 4.45Å; K320-W353 WeakPolarHBondContact CB-O 3.42Å; K320-W353 PolarHBondContact N-O 3.25Å; K320-Q355 HydrophobicContact CD-CB 4.46Å; K320-Q355 HydrophobicContact CG-CB 3.93Å
321L93.6Very high94Very high141 Ų14179.6 Ų79.674%0.73841%0.411SS*.THydrogen-bonded Turntrans-54.7-17.2-177.7-51-179.1000115V352L321-V352 HydrophobicContact CD2-CB 4.06Å; L321-V352 HydrophobicContact CD2-CG1 3.71Å; L321-V352 HydrophobicContact CD2-CG2 4.25Å
322Q93.9Very high94Very high187 Ų18775.2 Ų75.287%0.87439%0.39SS*.THydrogen-bonded Turntrans-110.80.6179.9-62.8179.6-5.700113.8K320K320-Q322 PolarHBondContact O-N 2.83Å
323F96.3Very high94.1Very high32 Ų3276.7 Ų76.714%0.1440%0.396CS..  trans-71.9139.2178.6174.8-92.8000110.9L242 L244 L249 L305 K320 V325 W353L242-F323 HydrophobicContact CD1-CE1 3.8Å; L242-F323 HydrophobicContact CD1-CZ 3.98Å; L244-F323 HydrophobicContact CD1-CE2 4.18Å; L244-F323 HydrophobicContact CD1-CZ 4.24Å; L249-F323 HydrophobicContact CB-CD2 4.45Å; L249-F323 HydrophobicContact CB-CE2 4.26Å; L249-F323 WeakPolarHBondContact O-CE2 3.41Å; L305-F323 HydrophobicContact CD2-CD1 4.21Å; L305-F323 HydrophobicContact CD2-CD2 4.12Å; L305-F323 HydrophobicContact CD2-CE1 4.09Å; L305-F323 HydrophobicContact CD2-CE2 4.01Å; L305-F323 HydrophobicContact CD2-CG 4.22Å; L305-F323 HydrophobicContact CD2-CZ 4Å; K320-F323 HydrophobicContact CB-CB 3.66Å; K320-F323 WeakPolarHBondContact O-CB 3.24Å; K320-F323 PolarHBondContact O-N 3.15Å; F323-V325 HydrophobicContact CE1-CG2 4.35Å; F323-W353 HydrophobicContact CB-CB 4.43Å; F323-W353 HydrophobicContact CD1-CB 3.87Å; F323-W353 AromaticContact CD1-CD1 3.62Å; F323-W353 HydrophobicContact CD1-CD2 4.1Å; F323-W353 AromaticContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CE1-CD2 4.1Å; F323-W353 HydrophobicContact CE1-CG 4.06Å; F323-W353 HydrophobicContact CG-CB 4.48Å
324K94.8Very high94.3Very high181 Ų18173.5 Ų73.579%0.78736%0.364SS*.  trans-129.3139.4172.4-62.2-172.8178.5-1720107.8P326K324-P326 WeakPolarHBondContact O-CD 3.33Å
325V95.2Very high94.4Very high39 Ų3974.2 Ų74.224%0.23637%0.368CS..  trans-59.4126.8-178.7-171.90000109.9L242 M255 F323 T327 W353L242-V325 HydrophobicContact CD1-CG1 4.21Å; L242-V325 HydrophobicContact CD1-CG2 4.12Å; L242-V325 HydrophobicContact CD2-CG1 4.35Å; M255-V325 HydrophobicContact CE-CG1 3.61Å; M255-V325 HydrophobicContact SD-CG1 4.08Å; F323-V325 HydrophobicContact CE1-CG2 4.35Å; V325-T327 PolarHBondContact O-N 2.77Å; V325-T327 VanDerWaalsContact O-N 3.17Å; V325-W353 HydrophobicContact CG2-CZ2 3.9Å
326P94.1Very high94.6Very high11 Ų1171.8 Ų71.87%0.07134%0.343CS..  trans-60.5112-179.4-29.536.7000114.5L249 P252 M255 K324L249-P326 WeakPolarHBondContact O-CG 3.46Å; P252-P326 HydrophobicContact CG-CB 4.38Å; P252-P326 HydrophobicContact CG-CG 4.29Å; M255-P326 WeakPolarHBondContact CE-O 3.49Å; M255-P326 HydrophobicContact SD-CB 4.22Å; M255-P326 HydrophobicContact SD-CG 4.14Å; K324-P326 WeakPolarHBondContact O-CD 3.33Å
327T91.1Very high94.5Very high138 Ų13871.1 Ų71.185%0.84734%0.344SS*.THydrogen-bonded Turntrans-87.50.3179.455.20000115V325V325-T327 PolarHBondContact O-N 2.77Å; V325-T327 VanDerWaalsContact O-N 3.17Å
328R88.8Confident94.3Very high174 Ų17471.4 Ų71.466%0.65735%0.345SS*.THydrogen-bonded Turntrans-107.313.6-173.7-61.9-178.1-62.4-178.81114.1L251L251-R328 HydrophobicContact CD1-CB 4.16Å
329V88.1Confident93.9Very high28 Ų2871.1 Ų71.117%0.1735%0.35CS..SBendtrans-131141.1-179.2-176.30000106.9L251 P252 N331L251-V329 HydrophobicContact CD1-CG2 3.87Å; P252-V329 HydrophobicContact CG-CG1 4.47Å; P252-V329 HydrophobicContact CG-CG2 4.07Å; P252-V329 WeakPolarHBondContact O-CG2 3.12Å; V329-N331 PolarHBondContact O-N 2.89Å
330K86.6Confident92.8Very high120 Ų12071.7 Ų71.752%0.52237%0.369SS..  trans-64114.8174.3-174.5165.8-178.6166.70108Q140 E141Q140-K330 PolarHBondContact O-NZ 2.92Å; E141-K330 PolarHBondContact O-NZ 2.72Å
331N90.3Very high91.1Very high29 Ų2973.7 Ų73.716%0.15538%0.379CS..EExtended strand (participates in β ladder)trans-79.7143175.8-162.66.8000108.8M255 E257 V329 I333M255-N331 HydrophobicContact CE-CB 3.81Å; M255-N331 PolarHBondContact O-OD1 3.47Å; E257-N331 PolarHBondContact OE2-ND2 2.96Å; V329-N331 PolarHBondContact O-N 2.89Å; N331-I333 HydrophobicContact CB-CD1 4.43Å; N331-I333 HydrophobicContact CB-CG1 4.08Å; N331-I333 VanDerWaalsContact ND2-CG1 3.35Å; N331-I333 WeakPolarHBondContact ND2-CG1 3.39Å
332K94.9Very high89.2Confident36 Ų3670 Ų7016%0.15738%0.375CS..EExtended strand (participates in β ladder)trans-109.398.1170-77.4-178.5169.3-167.10108.5G143 M255 Y256 E257 L290 S292G143-K332 CarbonylContact O-C 3.4Å; G143-K332 VanDerWaalsContact O-CA 3.27Å; G143-K332 WeakPolarHBondContact O-CA 3.49Å; M255-K332 PolarHBondContact O-N 3.31Å; Y256-K332 WeakPolarHBondContact CA-O 3.42Å; Y256-K332 HydrophobicContact CD1-CB 3.63Å; Y256-K332 HydrophobicContact CD1-CD 4.01Å; Y256-K332 HydrophobicContact CD1-CG 4.44Å; Y256-K332 HydrophobicContact CE1-CB 3.89Å; Y256-K332 HydrophobicContact CE1-CD 3.32Å; Y256-K332 HydrophobicContact CE1-CG 4.21Å; Y256-K332 HydrophobicContact CG-CB 4.28Å; E257-K332 PolarHBondContact N-O 2.93Å; L290-K332 HydrophobicContact CD1-CB 4.39Å; L290-K332 HydrophobicContact CD1-CG 4.2Å; L290-K332 HydrophobicContact CG-CB 4.43Å; L290-K332 VanDerWaalsContact O-CD 3.3Å; L290-K332 WeakPolarHBondContact O-CD 3.35Å; L290-K332 WeakPolarHBondContact O-CE 3.34Å; L290-K332 PolarHBondContact O-NZ 3.32Å; S292-K332 PolarHBondContact O-NZ 2.91Å
333I96.9Very high87.3Confident47 Ų4764.7 Ų64.724%0.24136%0.363CS..EExtended strand (participates in β ladder)trans-97.5133.5-169.9-51.3176.6000110.8G143 C144 V145 E257 N331G143-I333 PolarHBondContact O-N 3.37Å; C144-I333 CarbonylContact C-O 3.6Å; C144-I333 VanDerWaalsContact CA-O 3.22Å; C144-I333 WeakPolarHBondContact CA-O 3.44Å; C144-I333 HydrophobicContact CB-CB 3.79Å; V145-I333 PolarHBondContact N-O 3.37Å; E257-I333 HydrophobicContact CB-CG1 4.29Å; E257-I333 HydrophobicContact CB-CG2 4.49Å; E257-I333 CarbonylContact O-C 3.51Å; E257-I333 WeakPolarHBondContact O-CA 3.13Å; N331-I333 HydrophobicContact CB-CD1 4.43Å; N331-I333 HydrophobicContact CB-CG1 4.08Å; N331-I333 VanDerWaalsContact ND2-CG1 3.35Å; N331-I333 WeakPolarHBondContact ND2-CG1 3.39Å
334I98.1Very high85.3Confident0 Ų071.8 Ų71.80%040%0.396CS..EExtended strand (participates in β ladder)trans-118.897.7175.6-52.7174.2000106.6V145 I165 E257 V258 N259 L285 L290 L336V145-I334 WeakPolarHBondContact O-CA 3.27Å; I165-I334 HydrophobicContact CD1-CG2 4.4Å; I165-I334 HydrophobicContact CG2-CD1 3.85Å; E257-I334 PolarHBondContact O-N 2.95Å; V258-I334 WeakPolarHBondContact CA-O 3.47Å; N259-I334 PolarHBondContact N-O 3.47Å; L285-I334 HydrophobicContact CD1-CD1 4.05Å; L285-I334 HydrophobicContact CD2-CD1 3.79Å; L285-I334 HydrophobicContact CD2-CG1 3.87Å; L285-I334 HydrophobicContact CD2-CG2 4.21Å; L290-I334 HydrophobicContact CD2-CG1 3.87Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å
335T97.9Very high83.4Confident29 Ų2966.8 Ų66.818%0.17840%0.397CS..EExtended strand (participates in β ladder)trans-85123.8178.7-37.10000109.3V145 D146 V147V145-T335 PolarHBondContact O-N 3.43Å; D146-T335 CarbonylContact C-O 3.48Å; D146-T335 WeakPolarHBondContact OD1-CB 3.46Å; D146-T335 PolarHBondContact OD1-OG1 2.85Å; V147-T335 PolarHBondContact N-O 2.92Å
336L97.8Very high82.1Confident0 Ų068.9 Ų68.90%040%0.404CS..EExtended strand (participates in β ladder)trans-108.3127.2172.4-51.9-174.4000108.3V147 F149 F161 V258 N259 M260 L263 I281 I334V147-L336 HydrophobicContact CB-CD2 3.81Å; V147-L336 HydrophobicContact CG2-CD2 4.01Å; F149-L336 HydrophobicContact CE2-CB 4.22Å; F149-L336 HydrophobicContact CZ-CD2 4.38Å; F161-L336 HydrophobicContact CB-CD1 3.99Å; F161-L336 HydrophobicContact CD2-CD1 3.79Å; F161-L336 HydrophobicContact CG-CD1 4.22Å; V258-L336 HydrophobicContact CG1-CD1 4.04Å; V258-L336 HydrophobicContact CG1-CG 4.38Å; N259-L336 PolarHBondContact O-N 3.48Å; M260-L336 HydrophobicContact CG-CB 4.25Å; M260-L336 HydrophobicContact CG-CD1 3.99Å; M260-L336 HydrophobicContact CG-CG 4.39Å; M260-L336 HydrophobicContact SD-CD1 4.44Å; L263-L336 HydrophobicContact CD1-CB 4Å; L263-L336 HydrophobicContact CD2-CB 3.93Å; L263-L336 HydrophobicContact CG-CB 4.05Å; I281-L336 HydrophobicContact CD1-CD1 4.1Å; I281-L336 HydrophobicContact CD1-CD2 4.09Å; I281-L336 HydrophobicContact CG1-CD2 3.88Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å
337S95.9Very high81.3Confident22 Ų2273.7 Ų73.715%0.15443%0.429CS..EExtended strand (participates in β ladder)trans-141.9165.6-175.861.40000112.4V147 F149 A262V147-S337 PolarHBondContact O-N 2.91Å; V147-S337 PolarHBondContact O-OG 3.19Å; F149-S337 PolarHBondContact N-O 3.35Å; A262-S337 WeakPolarHBondContact O-CA 3.3Å
338T94.3Very high81.2Confident7 Ų769.5 Ų69.54%0.04340%0.398CS..EExtended strand (participates in β ladder)trans-114.6134.5174.4-600000111.1F149 G151 A262 A264F149-T338 WeakPolarHBondContact O-CA 3.4Å; G151-T338 VanDerWaalsContact O-CG2 3.32Å; G151-T338 WeakPolarHBondContact O-CG2 3.45Å; G151-T338 PolarHBondContact O-OG1 3.42Å; A262-T338 PolarHBondContact O-N 3.45Å; A262-T338 VanDerWaalsContact O-N 3.1Å; A264-T338 HydrophobicContact CB-CG2 3.88Å; A264-T338 PolarHBondContact N-OG1 3.12Å
339E89.2Confident81.3Confident130 Ų13067.5 Ų67.561%0.60740%0.396SS*.THydrogen-bonded Turntrans-61145.2175.9-169.1175.1-174.200112.2V148 F149 H341V148-E339 HydrophobicContact CG1-CB 3.89Å; F149-E339 PolarHBondContact O-N 2.91Å; E339-H341 PolarHBondContact O-N 3.2Å
340G73.9Confident81.6Confident83 Ų8369.2 Ų69.286%0.85640%0.404SS*.THydrogen-bonded Turntrans72.4-24.717800000115.4G342G340-G342 PolarHBondContact O-N 3.09Å
341H61.6Low82.1Confident114 Ų11465.7 Ų65.753%0.52839%0.388SS..  trans-84.195.3172.9-75.3-88.7000110.7A264 E339 A343A264-H341 HydrophobicContact CB-CB 4.25Å; E339-H341 PolarHBondContact O-N 3.2Å; H341-A343 PolarHBondContact O-N 3.29Å
342G54.3Low82.4Confident63 Ų6365.5 Ų65.565%0.64939%0.387SS*.  trans-56.4135.8152.300000108.5G340 E344G340-G342 PolarHBondContact O-N 3.09Å; G342-E344 PolarHBondContact O-N 3.36Å
343A54.1Low82.6Confident75 Ų7565 Ų6562%0.6238%0.384SS*.  trans-63.3102.9-178.400000110H341 G345H341-A343 PolarHBondContact O-N 3.29Å; A343-G345 PolarHBondContact O-N 3.18Å; A343-G345 VanDerWaalsContact O-N 3.17Å
344E53.3Low82.7Confident181 Ų18163.1 Ų63.185%0.84638%0.375SS*.  trans-56.8120.1163-65.5-168.2158.700106.6G342 E346G342-E344 PolarHBondContact O-N 3.36Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 2.78Å
345G55.6Low82.7Confident77 Ų7764.5 Ų64.579%0.79438%0.381SS*.  trans-69.884.4-161.600000113.1A343 D347A343-G345 PolarHBondContact O-N 3.18Å; A343-G345 VanDerWaalsContact O-N 3.17Å; G345-D347 PolarHBondContact O-N 3.17Å
346E66.9Low82.7Confident83 Ų8363.1 Ų63.139%0.38837%0.372SS..  trans-61.9126169.6-76.5-171.6171.700109.9R237 E344 W348R237-E346 WeakPolarHBondContact CD-OE2 3.41Å; R237-E346 IonicContact CZ-OE1 2.8Å; R237-E346 IonicContact CZ-OE2 2.75Å; R237-E346 IonicContact NE-OE2 3.19Å; R237-E346 PolarHBondContact NE-OE2 3.21Å; R237-E346 IonicContact NH1-OE1 3.51Å; R237-E346 PolarHBondContact NH1-OE1 3.5Å; R237-E346 IonicContact NH1-OE2 3.56Å; R237-E346 PolarHBondContact NH1-OE2 2.9Å; E344-E346 VanDerWaalsContact C-N 3.34Å; E344-E346 PolarHBondContact O-N 2.78Å; E346-W348 HydrophobicContact CB-CH2 4.1Å; E346-W348 HydrophobicContact CB-CZ2 3.87Å; E346-W348 PolarHBondContact O-N 3.01Å; E346-W348 PolarHBondContact O-NE1 2.91Å; E346-W348 WeakPolarHBondContact OE2-CH2 3.41Å
347D77.3Confident82.6Confident111 Ų11166 Ų6659%0.59439%0.391SS*.  trans-79.788.6-172.6-147.766.6000109.8G345 Q349G345-D347 PolarHBondContact O-N 3.17Å; D347-Q349 VanDerWaalsContact CG-CD 3.4Å; D347-Q349 PolarHBondContact O-N 2.89Å; D347-Q349 PolarHBondContact OD1-NE2 3.28Å; D347-Q349 WeakPolarHBondContact OD2-CB 3.48Å; D347-Q349 PolarHBondContact OD2-NE2 3.08Å
348W89.8Confident82.5Confident51 Ų5167.5 Ų67.519%0.19340%0.399CS..G310 helixtrans-67.14.7-179.1-54.6117.4000114.2R237 P239 E261 E346 D350 Y351R237-W348 HydrophobicContact CG-CH2 4.25Å; R237-W348 HydrophobicContact CG-CZ3 4.42Å; P239-W348 HydrophobicContact CB-CD2 4.1Å; P239-W348 HydrophobicContact CB-CE3 3.96Å; P239-W348 HydrophobicContact CB-CH2 3.69Å; P239-W348 HydrophobicContact CB-CZ2 3.83Å; P239-W348 HydrophobicContact CB-CZ3 3.76Å; P239-W348 HydrophobicContact CG-CD2 4.05Å; P239-W348 HydrophobicContact CG-CE3 3.55Å; P239-W348 HydrophobicContact CG-CH2 4.03Å; P239-W348 HydrophobicContact CG-CZ2 4.48Å; P239-W348 HydrophobicContact CG-CZ3 3.55Å; E261-W348 HydrophobicContact CB-CZ2 4.33Å; E261-W348 HydrophobicContact CG-CZ2 4.18Å; E346-W348 HydrophobicContact CB-CH2 4.1Å; E346-W348 HydrophobicContact CB-CZ2 3.87Å; E346-W348 PolarHBondContact O-N 3.01Å; E346-W348 PolarHBondContact O-NE1 2.91Å; E346-W348 WeakPolarHBondContact OE2-CH2 3.41Å; W348-D350 VanDerWaalsContact C-N 3.27Å; W348-D350 PolarHBondContact O-N 3Å; W348-Y351 AromaticContact CE3-CD1 3.84Å; W348-Y351 HydrophobicContact CE3-CD1 3.84Å; W348-Y351 AromaticContact CE3-CD2 3.82Å; W348-Y351 HydrophobicContact CE3-CD2 3.82Å; W348-Y351 AromaticContact CE3-CE1 3.71Å; W348-Y351 HydrophobicContact CE3-CE1 3.71Å; W348-Y351 AromaticContact CE3-CE2 3.68Å; W348-Y351 HydrophobicContact CE3-CE2 3.68Å; W348-Y351 AromaticContact CE3-CG 3.93Å; W348-Y351 HydrophobicContact CE3-CG 3.93Å; W348-Y351 AromaticContact CE3-CZ 3.64Å; W348-Y351 HydrophobicContact CZ3-CD1 4.17Å; W348-Y351 AromaticContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE2 4.03Å; W348-Y351 AromaticContact CZ3-CZ 3.53Å; W348-Y351 VanDerWaalsContact O-CB 3.3Å; W348-Y351 WeakPolarHBondContact O-CB 3.35Å; W348-Y351 PolarHBondContact O-N 3.49Å
349Q90.3Very high82.5Confident132 Ų13268.4 Ų68.462%0.61741%0.408SS*.G310 helixtrans-61.2-32.5-175.4-81.576.2-59.600113.2D347 Y351D347-Q349 VanDerWaalsContact CG-CD 3.4Å; D347-Q349 PolarHBondContact O-N 2.89Å; D347-Q349 PolarHBondContact OD1-NE2 3.28Å; D347-Q349 WeakPolarHBondContact OD2-CB 3.48Å; D347-Q349 PolarHBondContact OD2-NE2 3.08Å; Q349-Y351 VanDerWaalsContact C-N 3.29Å; Q349-Y351 PolarHBondContact O-N 3.05Å
350D94.7Very high82.8Confident64 Ų6462.3 Ų62.334%0.34238%0.379SS..G310 helixtrans-87.87.8177.1-78.80.7000113.2R310 W348R310-D350 WeakPolarHBondContact CB-O 3.41Å; R310-D350 WeakPolarHBondContact CG-O 3.36Å; R310-D350 VanDerWaalsContact CZ-CG 3.48Å; R310-D350 IonicContact CZ-OD1 3.69Å; R310-D350 IonicContact CZ-OD2 3.36Å; R310-D350 PolarHBondContact N-O 3.46Å; R310-D350 IonicContact NH1-OD1 3.49Å; R310-D350 PolarHBondContact NH1-OD1 3.12Å; R310-D350 IonicContact NH1-OD2 2.68Å; R310-D350 PolarHBondContact NH1-OD2 2.79Å; R310-D350 IonicContact NH2-OD1 3.32Å; R310-D350 IonicContact NH2-OD2 2.83Å; R310-D350 PolarHBondContact NH2-OD2 3.06Å; W348-D350 VanDerWaalsContact C-N 3.27Å; W348-D350 PolarHBondContact O-N 3Å
351Y96.7Very high83.8Confident46 Ų4663.6 Ų63.618%0.1836%0.361CS..EExtended strand (participates in β ladder)trans-96.1141.8178.9-71.5-120.2000111.8R237 P239 A308 H309 W348 Q349R237-Y351 WeakPolarHBondContact O-CE1 2.96Å; P239-Y351 HydrophobicContact CG-CD1 3.92Å; P239-Y351 HydrophobicContact CG-CE1 4.21Å; A308-Y351 CarbonylContact O-C 3.59Å; A308-Y351 WeakPolarHBondContact O-CA 3.3Å; H309-Y351 HydrophobicContact CB-CE1 4.26Å; H309-Y351 HydrophobicContact CB-CE2 4.28Å; W348-Y351 AromaticContact CE3-CD1 3.84Å; W348-Y351 HydrophobicContact CE3-CD1 3.84Å; W348-Y351 AromaticContact CE3-CD2 3.82Å; W348-Y351 HydrophobicContact CE3-CD2 3.82Å; W348-Y351 AromaticContact CE3-CE1 3.71Å; W348-Y351 HydrophobicContact CE3-CE1 3.71Å; W348-Y351 AromaticContact CE3-CE2 3.68Å; W348-Y351 HydrophobicContact CE3-CE2 3.68Å; W348-Y351 AromaticContact CE3-CG 3.93Å; W348-Y351 HydrophobicContact CE3-CG 3.93Å; W348-Y351 AromaticContact CE3-CZ 3.64Å; W348-Y351 HydrophobicContact CZ3-CD1 4.17Å; W348-Y351 AromaticContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE1 3.6Å; W348-Y351 HydrophobicContact CZ3-CE2 4.03Å; W348-Y351 AromaticContact CZ3-CZ 3.53Å; W348-Y351 VanDerWaalsContact O-CB 3.3Å; W348-Y351 WeakPolarHBondContact O-CB 3.35Å; W348-Y351 PolarHBondContact O-N 3.49Å; Q349-Y351 VanDerWaalsContact C-N 3.29Å; Q349-Y351 PolarHBondContact O-N 3.05Å
352V97.6Very high85.1Confident24 Ų2458.8 Ų58.815%0.14534%0.343CS..EExtended strand (participates in β ladder)trans-133.8153.3-179.8-59.20000111A308 R310 P319 L321 F354A308-V352 PolarHBondContact N-O 2.78Å; A308-V352 VanDerWaalsContact N-O 3.16Å; A308-V352 PolarHBondContact O-N 3.36Å; R310-V352 HydrophobicContact CB-CG1 4.1Å; R310-V352 HydrophobicContact CB-CG2 4.01Å; P319-V352 HydrophobicContact CB-CG2 4.38Å; L321-V352 HydrophobicContact CD2-CB 4.06Å; L321-V352 HydrophobicContact CD2-CG1 3.71Å; L321-V352 HydrophobicContact CD2-CG2 4.25Å; V352-F354 HydrophobicContact CG2-CD2 4.02Å; V352-F354 HydrophobicContact CG2-CE2 3.44Å; V352-F354 VanDerWaalsContact CG2-CE2 3.44Å; V352-F354 HydrophobicContact CG2-CZ 3.91Å; V352-F354 VanDerWaalsContact O-CD2 3.25Å; V352-F354 WeakPolarHBondContact O-CD2 3.14Å; V352-F354 PolarHBondContact O-N 2.85Å
353W98.3Very high86.8Confident25 Ų2556 Ų5610%0.09531%0.313CS..EExtended strand (participates in β ladder)trans-75.1123.9178.2-73.298.9000111.3R240 L242 L305 L307 P319 K320 F323 V325R240-W353 HydrophobicContact CB-CH2 3.75Å; R240-W353 HydrophobicContact CB-CZ2 4.43Å; L242-W353 HydrophobicContact CB-CZ3 4.31Å; L242-W353 HydrophobicContact CD1-CD2 4.48Å; L242-W353 HydrophobicContact CD1-CE3 4.11Å; L242-W353 HydrophobicContact CD1-CH2 3.48Å; L242-W353 VanDerWaalsContact CD1-CH2 3.48Å; L242-W353 HydrophobicContact CD1-CZ2 3.9Å; L242-W353 HydrophobicContact CD1-CZ3 3.61Å; L242-W353 HydrophobicContact CG-CH2 3.58Å; L242-W353 HydrophobicContact CG-CZ2 4.44Å; L242-W353 HydrophobicContact CG-CZ3 3.68Å; L305-W353 HydrophobicContact CB-CE3 3.89Å; L305-W353 HydrophobicContact CB-CZ3 4.38Å; L307-W353 HydrophobicContact CB-CD2 4.14Å; L307-W353 HydrophobicContact CB-CE3 3.96Å; L307-W353 HydrophobicContact CB-CH2 3.92Å; L307-W353 HydrophobicContact CB-CZ2 4.08Å; L307-W353 HydrophobicContact CB-CZ3 3.85Å; L307-W353 HydrophobicContact CD1-CD2 4.24Å; L307-W353 HydrophobicContact CD1-CG 4.31Å; L307-W353 HydrophobicContact CD2-CZ2 4.15Å; P319-W353 CarbonylContact C-O 3.56Å; K320-W353 HydrophobicContact CB-CB 4.45Å; K320-W353 WeakPolarHBondContact CB-O 3.42Å; K320-W353 PolarHBondContact N-O 3.25Å; F323-W353 HydrophobicContact CB-CB 4.43Å; F323-W353 HydrophobicContact CD1-CB 3.87Å; F323-W353 AromaticContact CD1-CD1 3.62Å; F323-W353 HydrophobicContact CD1-CD2 4.1Å; F323-W353 AromaticContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CD1-CG 3.56Å; F323-W353 HydrophobicContact CE1-CD2 4.1Å; F323-W353 HydrophobicContact CE1-CG 4.06Å; F323-W353 HydrophobicContact CG-CB 4.48Å; V325-W353 HydrophobicContact CG2-CZ2 3.9Å
354F98.4Very high88.2Confident9 Ų956.3 Ų56.34%0.03931%0.307CS..EExtended strand (participates in β ladder)trans-106.1116.5176.9-81.1-84.7000109.3L305 A306 A308 V314 F317 P319 V352L305-F354 CarbonylContact C-O 3.53Å; L305-F354 VanDerWaalsContact CA-O 3.22Å; L305-F354 WeakPolarHBondContact CA-O 3.27Å; A306-F354 PolarHBondContact N-O 2.93Å; A306-F354 PolarHBondContact O-N 2.78Å; A308-F354 HydrophobicContact CB-CD2 3.85Å; A308-F354 HydrophobicContact CB-CE2 4.12Å; V314-F354 HydrophobicContact CG1-CD1 3.47Å; V314-F354 VanDerWaalsContact CG1-CD1 3.47Å; V314-F354 HydrophobicContact CG1-CE1 3.35Å; V314-F354 HydrophobicContact CG1-CG 4.15Å; V314-F354 HydrophobicContact CG1-CZ 3.93Å; F317-F354 HydrophobicContact CB-CB 3.87Å; F317-F354 HydrophobicContact CB-CD1 4.03Å; F317-F354 HydrophobicContact CB-CG 4.39Å; F317-F354 HydrophobicContact CD1-CB 4.24Å; F317-F354 HydrophobicContact CG-CB 4.32Å; P319-F354 HydrophobicContact CB-CD1 4.06Å; P319-F354 HydrophobicContact CB-CE1 3.76Å; P319-F354 HydrophobicContact CB-CZ 4.22Å; P319-F354 HydrophobicContact CG-CE1 4.18Å; V352-F354 HydrophobicContact CG2-CD2 4.02Å; V352-F354 HydrophobicContact CG2-CE2 3.44Å; V352-F354 VanDerWaalsContact CG2-CE2 3.44Å; V352-F354 HydrophobicContact CG2-CZ 3.91Å; V352-F354 VanDerWaalsContact O-CD2 3.25Å; V352-F354 WeakPolarHBondContact O-CD2 3.14Å; V352-F354 PolarHBondContact O-N 2.85Å
355Q98.4Very high88.9Confident28 Ų2854.4 Ų54.413%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-95.7136.7-179.6-168.2-145.1-53.300111.2T303 L305 F317 R318 K320T303-Q355 HydrophobicContact CG2-CG 3.65Å; L305-Q355 HydrophobicContact CD1-CG 4.39Å; L305-Q355 HydrophobicContact CD2-CB 4.01Å; L305-Q355 HydrophobicContact CD2-CG 4.14Å; L305-Q355 HydrophobicContact CG-CB 3.99Å; L305-Q355 HydrophobicContact CG-CG 3.87Å; F317-Q355 WeakPolarHBondContact CA-O 3.25Å; F317-Q355 VanDerWaalsContact CD1-C 3.47Å; R318-Q355 PolarHBondContact N-O 2.99Å; R318-Q355 PolarHBondContact O-N 2.7Å; K320-Q355 HydrophobicContact CD-CB 4.46Å; K320-Q355 HydrophobicContact CG-CB 3.93Å
356A97.9Very high90.5Very high0 Ų053.3 Ų53.30%028%0.278CS..  trans-58138167.700000110.5L225 V304 W316 F317 T358L225-A356 HydrophobicContact CD1-CB 3.9Å; V304-A356 PolarHBondContact O-N 3.37Å; W316-A356 HydrophobicContact CH2-CB 4.09Å; W316-A356 HydrophobicContact CZ3-CB 3.81Å; F317-A356 HydrophobicContact CD1-CB 4.42Å; F317-A356 HydrophobicContact CE1-CB 4.02Å; A356-T358 VanDerWaalsContact C-N 3.28Å; A356-T358 PolarHBondContact O-N 2.97Å
357P96.4Very high91.8Very high60 Ų6051.7 Ų51.739%0.3927%0.272SS..SBendtrans-70.5-25.7-178.729.9-34.7000112.6W316 R318W316-P357 HydrophobicContact CD2-CG 3.79Å; W316-P357 VanDerWaalsContact CE3-CD 3.43Å; W316-P357 HydrophobicContact CE3-CG 4.12Å; W316-P357 HydrophobicContact CG-CG 4.37Å; W316-P357 HydrophobicContact CH2-CG 4.21Å; W316-P357 HydrophobicContact CZ2-CG 3.86Å; W316-P357 VanDerWaalsContact CZ3-CD 3.45Å; W316-P357 HydrophobicContact CZ3-CG 4.33Å; R318-P357 HydrophobicContact CG-CB 4.5Å
358T93.2Very high92.6Very high54 Ų5448.4 Ų48.433%0.33125%0.254SS..SBendtrans-110.2161.5175.249.80000110.7A356A356-T358 VanDerWaalsContact C-N 3.28Å; A356-T358 PolarHBondContact O-N 2.97Å
359A95.1Very high92.8Very high26 Ų2648.2 Ų48.222%0.21526%0.258CS..  trans-125127.7174.100000109P301 T302 T303 K361P301-A359 HydrophobicContact CB-CB 4.09Å; T302-A359 CarbonylContact O-C 3.57Å; T302-A359 VanDerWaalsContact O-CA 3.31Å; T302-A359 WeakPolarHBondContact O-CA 3.33Å; T303-A359 WeakPolarHBondContact OG1-CB 3.38Å; A359-K361 PolarHBondContact O-N 2.88Å
360I96Very high92.9Very high2 Ų243 Ų431%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-65.8119.4-174.6-52.3-54.4000109L170 T218 E221 L222 L225 P301 T302L170-I360 HydrophobicContact CD1-CG2 4.42Å; T218-I360 HydrophobicContact CG2-CG2 3.86Å; E221-I360 VanDerWaalsContact C-CD1 3.46Å; E221-I360 HydrophobicContact CB-CD1 3.87Å; E221-I360 VanDerWaalsContact O-CD1 3.26Å; E221-I360 WeakPolarHBondContact O-CD1 3.5Å; L222-I360 HydrophobicContact CB-CD1 4.32Å; L222-I360 HydrophobicContact CD1-CG1 4.45Å; L225-I360 HydrophobicContact CB-CD1 4.17Å; L225-I360 HydrophobicContact CD2-CD1 3.74Å; L225-I360 HydrophobicContact CD2-CG1 3.59Å; P301-I360 CarbonylContact C-O 3.47Å; P301-I360 WeakPolarHBondContact CA-O 3.44Å; T302-I360 PolarHBondContact N-O 2.65Å; T302-I360 PolarHBondContact O-N 3.46Å
361K93.9Very high92.8Very high111 Ų11141.6 Ų41.648%0.48323%0.228SC..EExtended strand (participates in β ladder)trans-89.5115-179.7-56.1176-153.476.60109.4T218 E221 A359T218-K361 WeakPolarHBondContact CG2-O 3.37Å; T218-K361 PolarHBondContact OG1-O 3.05Å; E221-K361 VanDerWaalsContact CD-NZ 3.26Å; E221-K361 IonicContact OE1-NZ 2.72Å; E221-K361 PolarHBondContact OE1-NZ 3.32Å; E221-K361 IonicContact OE2-NZ 3.14Å; E221-K361 PolarHBondContact OE2-NZ 3.4Å; A359-K361 PolarHBondContact O-N 2.88Å
362G89.6Confident92.5Very high13 Ų1341.3 Ų41.313%0.13423%0.231CC..  trans-61.9151.9173.100000112.9Q175Q175-G362 CarbonylContact O-C 3.6Å; Q175-G362 WeakPolarHBondContact O-CA 3.35Å
363F89.4Confident92.1Very high5 Ų542.6 Ų42.62%0.02224%0.238CC..  trans-140.6156.2176.671.8-78.9000111.8Q175 L176 P177 L183 C215 T218Q175-F363 PolarHBondContact O-N 2.83Å; L176-F363 HydrophobicContact CD2-CD1 4.42Å; L176-F363 HydrophobicContact CD2-CE1 3.79Å; P177-F363 VanDerWaalsContact CD-CZ 3.49Å; P177-F363 HydrophobicContact CG-CD2 4.1Å; P177-F363 HydrophobicContact CG-CE2 3.51Å; P177-F363 HydrophobicContact CG-CZ 3.91Å; L183-F363 HydrophobicContact CD1-CE1 4.36Å; L183-F363 HydrophobicContact CD1-CZ 4.01Å; L183-F363 HydrophobicContact CD2-CZ 4Å; C215-F363 HydrophobicContact CB-CD2 4.21Å; C215-F363 HydrophobicContact CB-CE2 3.5Å; C215-F363 HydrophobicContact CB-CZ 3.72Å; C215-F363 VanDerWaalsContact SG-CZ 3.6Å; T218-F363 HydrophobicContact CG2-CD1 3.82Å; T218-F363 HydrophobicContact CG2-CE1 3.94Å
364T83.5Confident91.6Very high80 Ų8044.1 Ų44.149%0.49125%0.25SC..  trans-112.4163.916563.90000109.8L299L299-T364 HydrophobicContact CD1-CG2 4.29Å; L299-T364 HydrophobicContact CD2-CG2 4.07Å; L299-T364 HydrophobicContact CG-CG2 4.43Å
365N67.3Low91Very high141 Ų14147.3 Ų47.375%0.75427%0.269SS*.  trans-80.30161.2-61.4-33.2000111.2

Retrieved 365 of 365 residues in 473.7 ms (Link to these results)