A0A2K6DG57_MACNE Loading...

E74 like ETS transcription factor 2

AlphaFold DB , UniProt , Accession A0A2K6DG57, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ELF2, Length 593 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.5Very low36.4Very low240 Ų240122.3 Ų122.3100%1.18280%0.798SS**  0110.90-77.9175.4167.200107
2T46Very low36.2Very low143 Ų143124.6 Ų124.688%0.87780%0.796SS**  trans-160.5116.2-174.119.20000108
3S33.3Very low36.2Very low116 Ų116125.8 Ų125.881%0.81179%0.791SS**  trans-147.6142.4168.9-80.10000105.9
4A36.1Very low35.8Very low92 Ų92127.6 Ų127.676%0.7679%0.785SS**  68.3143.550.200000111.6
5V33.9Very low35.8Very low128 Ų128127.5 Ų127.578%0.77678%0.776SS**  cis-155.5148.72282.60000112.2
6V33.4Very low35.8Very low126 Ų126126 Ų12676%0.76477%0.773SS**  trans44138.9139.3174.80000122.9
7D37.3Very low36Very low132 Ų132123.8 Ų123.871%0.70676%0.764SS**  trans-13.2148.8150.2-173.362.2000120.8
8S40.3Very low36.1Very low117 Ų117125.7 Ų125.782%0.81877%0.769SS**  trans-165.4135.3144.4-71.50000108.1
9G32.9Very low36.1Very low66 Ų66122.6 Ų122.668%0.6877%0.765SS**  cis107.5118.32.700000111.6
10G33.9Very low36.2Very low64 Ų64122.6 Ų122.666%0.6676%0.763SS**  trans113114.3178.100000113
11T33.5Very low36.1Very low121 Ų121124.7 Ų124.774%0.74276%0.764SS**  82.6105.551.568.10000114
12I34.8Very low35.7Very low150 Ų150119.9 Ų119.977%0.76974%0.744SS**  93.3166.9106.7-73.7170.4000112.4
13L35Very low35.2Very low140 Ų140120.5 Ų120.573%0.73374%0.736SS**  trans91.4109.3-174.1-52.3-179.2000112.4
14E31.8Very low35.4Very low152 Ų152122.4 Ų122.471%0.7173%0.732SS**  80.4143.670.4-79.8-160.9123.200112.1
15L35.7Very low35.4Very low125 Ų125126.4 Ų126.465%0.65474%0.736SS**  cis-160.5154.915.4-125.5157.7000110.8
16S34.6Very low35.4Very low104 Ų104125.3 Ų125.373%0.72773%0.733SS**  trans66.6165.6146.2-86.80000120.4
17S40.6Very low35.5Very low89 Ų89126.6 Ų126.662%0.62273%0.731SS**  cis171.9146.3-18.5170.40000107
18N37.7Very low35.2Very low157 Ų157130.2 Ų130.284%0.8474%0.741SS**  cis-157.9160.3-5.4-114.8-1.5000110.4
19G35Very low35Very low68 Ų68129.5 Ų129.570%0.70173%0.731SS**  trans92.4157.3144.800000118.1
20V38.7Very low34.9Very low121 Ų121131.4 Ų131.473%0.73373%0.734SS**  cis-149.7122.43.2-176.30000109.4
21E33.8Very low35.3Very low167 Ų167136 Ų13678%0.7874%0.738SS**  trans52.2147.7147.9-59.4170.8-146.500120.9
22N31.9Very low35.7Very low140 Ų140141.5 Ų141.575%0.74975%0.747SS**  cis-160.9-178.1-5-125.1-38.1000111.6
23Q34.8Very low36.2Very low156 Ų156139.3 Ų139.373%0.72974%0.742SS**  trans89.679.6159.6-159.4125.480.100119.2
24E37.3Very low36.5Very low155 Ų155137.1 Ų137.172%0.72474%0.744SS**  46112.7129.7-63.5155.2120.700119.6
25E37Very low36.9Very low177 Ų177136.2 Ų136.283%0.82775%0.749SS**  80.1146.380.5-97-153.678.200115.3
26S32.8Very low37.2Very low104 Ų104137.5 Ų137.573%0.72776%0.755SS**  cis-141-179.610-159.20000113.4
27E35.4Very low37.6Very low154 Ų154138.6 Ų138.672%0.7276%0.757SS**  trans-107.1152-159.3-170.7-165.3123.700114.5V29E27-V29 HydrophobicContact CG-CG2 3.93Å; E27-V29 VanDerWaalsContact OE1-CG2 3.22Å; E27-V29 WeakPolarHBondContact OE1-CG2 3.43Å
28K31.3Very low38Very low208 Ų208141.9 Ų141.990%0.90476%0.763SS**  trans-149147.4135.9-150.3161.9-174.31760113.8
29V36.6Very low38.7Very low102 Ų102140.3 Ų140.362%0.61876%0.761SS**  trans-129.2161.1-162.7150.70000112.3E27E27-V29 HydrophobicContact CG-CG2 3.93Å; E27-V29 VanDerWaalsContact OE1-CG2 3.22Å; E27-V29 WeakPolarHBondContact OE1-CG2 3.43Å
30S30.9Very low38.9Very low106 Ų106142.3 Ų142.374%0.74176%0.759SS**  trans73.8151.1171.8-144.30000114.3
31E42.4Very low39.2Very low160 Ų160142 Ų14275%0.74876%0.76SS**  cis-168.3153.244.5-172.2168.5169.200112.1
32Y41.4Very low39.6Very low237 Ų237140.2 Ų140.293%0.92977%0.766SS**  trans-135.6107.2174-104-75.5000110.8
33P45.9Very low39.8Very low103 Ų103138.3 Ų138.367%0.66977%0.769SS**  trans-93.3145.9165.533.5-29.6000111.5
34A41.1Very low40.3Very low94 Ų94140.9 Ų140.978%0.77777%0.772SS**  trans-80136.2176.900000111.7I36A34-I36 PolarHBondContact O-N 3.5Å
35V39.4Very low40.4Very low134 Ų134141.5 Ų141.581%0.81278%0.78SS**  trans-79.7102.6175.5-178.70000109.8V37V35-V37 HydrophobicContact CG1-CG2 4.39Å
36I43.6Very low40.6Very low152 Ų152138.8 Ų138.878%0.77977%0.767SS**  trans-75.4124.1166.5-61.1168.8000107.6A34A34-I36 PolarHBondContact O-N 3.5Å
37V42.1Very low40.8Very low127 Ų127142 Ų14277%0.7777%0.771SS**  trans-95.8101.3174-177.50000108.5V35 P39V35-V37 HydrophobicContact CG1-CG2 4.39Å; V37-P39 WeakPolarHBondContact O-CD 3.33Å
38E49.3Very low40.7Very low158 Ų158137.8 Ų137.874%0.73877%0.768SS**  trans-83.4121.6177.8-165.8-174.9147.900111V40E38-V40 HydrophobicContact CG-CG2 4.07Å; E38-V40 WeakPolarHBondContact OE1-CG2 3.33Å
39P52.9Low40.9Very low124 Ų124139.4 Ų139.481%0.80577%0.77SS**  trans-98.799.4-179.834.9-28.5000111.6V37V37-P39 WeakPolarHBondContact O-CD 3.33Å
40V39.1Very low40.8Very low109 Ų109138.9 Ų138.966%0.66178%0.776SS**  trans-113.8140.3178.3172.60000110.2E38E38-V40 HydrophobicContact CG-CG2 4.07Å; E38-V40 WeakPolarHBondContact OE1-CG2 3.33Å
41P44.2Very low40.9Very low115 Ų115138.3 Ų138.375%0.74778%0.778SS**  trans-98.8167.1-148.938-37.3000115.9
42S41.5Very low40.4Very low129 Ų129139.9 Ų139.990%0.90279%0.785SS**  trans-55.3132.4175.2-46.90000113.8
43A37.3Very low40Very low100 Ų100134.6 Ų134.683%0.82678%0.778SS**  trans-131.7147.7168.100000111.2
44R44.3Very low39.4Very low210 Ų210137.3 Ų137.379%0.79279%0.786SS**  trans-68.6157.1167.9-70.7170155.4-1391.2110.3E46R44-E46 IonicContact NH1-OE2 3.97Å
45L39.5Very low39.3Very low168 Ų168138.2 Ų138.288%0.8878%0.781SS**  trans-144.3136.3138.6-144.270.4000110.9
46E40.7Very low39Very low121 Ų121141.7 Ų141.757%0.56578%0.781SS**  trans-106.7173163.8-71.3-178.389.200108.4R44R44-E46 IonicContact NH1-OE2 3.97Å
47Q38.4Very low38.9Very low172 Ų172140.5 Ų140.580%0.80478%0.777SS**  trans63.6139.3175.8-54.199.130.900114.5
48G32.8Very low38.6Very low64 Ų64139.8 Ų139.866%0.6677%0.769SS**  cis155.3169.34.500000108.7
49Y35.1Very low38.2Very low243 Ų243141.6 Ų141.695%0.95378%0.777SS**  trans64.6157178-80.3-100.5000115.9
50A35.3Very low37.5Very low90 Ų90140.6 Ų140.674%0.74477%0.768SS**  cis-137168.2-5.700000110.5
51A33.7Very low37.5Very low94 Ų94145.3 Ų145.378%0.77778%0.776SS**  trans-96.7157.9178.300000113.1
52Q30.7Very low37.2Very low193 Ų193145.3 Ų145.390%0.90277%0.767SS**  trans-153.7115.5149.2-117.7169.22.900110.6
53V32.2Very low37.1Very low127 Ų127146.7 Ų146.777%0.7776%0.762SS**  trans-124.8130.2167.4172.60000105.7
54L33.8Very low37Very low159 Ų159150 Ų15083%0.83276%0.76SS**  trans-73128.4170.4-93.772.8000108.9
55V38.6Very low36.7Very low114 Ų114146.8 Ų146.869%0.69176%0.758SS**  trans-121.2139.8161.9179.30000106.4
56Y33.2Very low36.6Very low207 Ų207145.4 Ų145.481%0.81276%0.756SS**  trans-121.4116.7154.2-102.5-95.1000106.1
57D41.4Very low36.7Very low127 Ų127144.4 Ų144.468%0.67977%0.769SS**  35.1142.4121.3-64.2-103.1000120
58D36.1Very low36.7Very low112 Ų112143.3 Ų143.360%0.59976%0.764SS**  cis-166.6138.1-6.1166.934000108.3T60D58-T60 PolarHBondContact OD1-OG1 3.27Å
59E41Very low37.1Very low196 Ų196150 Ų15092%0.91678%0.778SS**  trans-160.2145131.840.3-157.7147.300111.8
60T39.8Very low37.3Very low102 Ų102144.1 Ų144.163%0.62676%0.759SS**  trans-131.2125.6-152.6-72.40000112.6D58D58-T60 PolarHBondContact OD1-OG1 3.27Å
61Y38.4Very low37.3Very low208 Ų208146.8 Ų146.882%0.81676%0.757SS**  trans-167.9110.5130.1-138-104.6000117.1
62M36.6Very low37.4Very low116 Ų116147.1 Ų147.157%0.57175%0.748SS**  trans34.5117.4142.8-55.1-55.1-163.700124.4
63M41.2Very low37.8Very low158 Ų158146.9 Ų146.978%0.77875%0.747SS**  60.5119.8124.5-58.1-173.2-65.700121.9
64Q35.4Very low37.9Very low169 Ų169146.1 Ų146.179%0.7974%0.743SS**  -160.9135.2103.5-177.552.662.500110.7
65D37.8Very low38Very low142 Ų142146 Ų14676%0.75974%0.738SS**  trans-67.8138.7172.6-64.9-89.1000113.1
66V36.3Very low37.8Very low139 Ų139148.8 Ų148.884%0.84275%0.749SS**  -164.2149.8129.1138.30000108.3
67A42.3Very low38.2Very low101 Ų101144.6 Ų144.684%0.83575%0.745SS**  trans-71.7137.4-178.600000112.3
68E39.2Very low37.9Very low148 Ų148147.7 Ų147.769%0.69276%0.756SS**  trans-122.5109.2178.4-176.9158.8-120.600111.8Q70E68-Q70 VanDerWaalsContact CD-NE2 3.32Å; E68-Q70 HydrophobicContact CG-CB 4.07Å; E68-Q70 HydrophobicContact CG-CG 3.69Å; E68-Q70 PolarHBondContact OE1-NE2 3.12Å
69E40.5Very low38Very low204 Ų204148 Ų14895%0.95376%0.762SS**  trans-90.785.1161.5-67.1-170.1147.300109
70Q40.9Very low38Very low121 Ų121145.6 Ų145.657%0.56576%0.76SS**  trans-97.5160.7162-86-166.828.200109.2E68 V72E68-Q70 VanDerWaalsContact CD-NE2 3.32Å; E68-Q70 HydrophobicContact CG-CB 4.07Å; E68-Q70 HydrophobicContact CG-CG 3.69Å; E68-Q70 PolarHBondContact OE1-NE2 3.12Å; Q70-V72 HydrophobicContact CB-CG2 4.29Å; Q70-V72 VanDerWaalsContact CD-CG2 3.5Å; Q70-V72 HydrophobicContact CG-CG2 3.89Å
71E35.4Very low37.8Very low146 Ų146149.6 Ų149.668%0.68277%0.772SS**  cis-111.4115.529.7-61.3170.5138.300111.9
72V35.2Very low37.9Very low100 Ų100144.7 Ų144.761%0.60677%0.774SS**  74.4111.192.6172.90000114.5Q70Q70-V72 HydrophobicContact CB-CG2 4.29Å; Q70-V72 VanDerWaalsContact CD-CG2 3.5Å; Q70-V72 HydrophobicContact CG-CG2 3.89Å
73E38.3Very low37.8Very low188 Ų188145 Ų14588%0.87979%0.788SS**  trans-116121.7164.4173.1175.6-138.100108.1
74T34.8Very low37.8Very low112 Ų112142.8 Ų142.869%0.68778%0.783SS**  trans-148.8111.8157.131.10000105.8
75E35.1Very low37.8Very low156 Ų156143.5 Ų143.573%0.72979%0.786SS**  72.111079.8-170.6-178.9177.200112.1
76N35.1Very low37.6Very low172 Ų172142.7 Ų142.792%0.9279%0.791SS**  trans-149.493.4145.2-134.732000106.6
77V42.1Very low37.8Very low119 Ų119141.6 Ų141.672%0.72179%0.79SS**  trans-93.8115.6178.3175.90000108.9T79V77-T79 HydrophobicContact CG1-CG2 4.31Å
78E34.6Very low37.6Very low193 Ų193142.3 Ų142.390%0.90278%0.78SS**  trans-139.1139.8153.6-164.6165.6-155.600109.9
79T39Very low37.6Very low119 Ų119140.1 Ų140.173%0.7379%0.786SS**  trans-110.6117-16450.90000111.7V77V77-T79 HydrophobicContact CG1-CG2 4.31Å
80V39.5Very low37.7Very low145 Ų145138.1 Ų138.188%0.87978%0.777SS**  trans-133.1133155.9-172.40000111.5
81E35.7Very low37.7Very low186 Ų186136.8 Ų136.887%0.86978%0.78SS**  trans-63.9165.2-168.6-55.3177.2130.600115.6
82A41.3Very low38.7Very low105 Ų105136.2 Ų136.287%0.86879%0.786SS**  trans-65.5151.9-167.200000116.4
83S34Very low39.6Very low122 Ų122135.2 Ų135.285%0.85378%0.778SS**  trans-148.3156.8145.2-161.30000113.2
84V41Very low40.9Very low112 Ų112134.5 Ų134.568%0.67977%0.772SS**  trans-65.3148.4-175.3170.90000112.2
85H35.2Very low42.5Very low184 Ų184134.1 Ų134.185%0.85277%0.769SS**  trans-173.879.3133.6-98.296.8000112.2S87H85-S87 PolarHBondContact O-N 3.09Å
86S35.3Very low43.9Very low125 Ų125131.7 Ų131.787%0.87476%0.76SS**  trans-81.495.2174.3-62.80000111.8N88S86-N88 PolarHBondContact O-N 3.21Å
87S38.6Very low45.8Very low116 Ų116129.9 Ų129.981%0.81175%0.746SS**  trans-90.598.4-178.553.20000114.1H85H85-S87 PolarHBondContact O-N 3.09Å
88N38Very low47.2Very low116 Ų116126.9 Ų126.962%0.6273%0.734SS**  trans58.788.3151.9-161.3-13.1000118.7S86 H90S86-N88 PolarHBondContact O-N 3.21Å; N88-H90 PolarHBondContact OD1-CD2 2.99Å; N88-H90 PolarHBondContact OD1-N 2.79Å
89A40.6Very low49Very low101 Ų101119.8 Ų119.884%0.83571%0.708SS**  trans-116.293.6148.200000109.4C91A89-C91 VanDerWaalsContact C-N 3.35Å; A89-C91 PolarHBondContact O-N 2.64Å
90H41.6Very low50.4Low163 Ų163119.7 Ų119.776%0.75570%0.7SS**  trans-64.887.5175.6-80.4-62.4000112.4N88N88-H90 PolarHBondContact OD1-CD2 2.99Å; N88-H90 PolarHBondContact OD1-N 2.79Å
91C40.5Very low51.9Low92 Ų92116 Ų11662%0.62268%0.684SS**  trans-90.5107.2158.6-158.70000108.8A89 D93A89-C91 VanDerWaalsContact C-N 3.35Å; A89-C91 PolarHBondContact O-N 2.64Å; C91-D93 PolarHBondContact O-N 3.07Å
92T57.4Low53.5Low134 Ų134113.6 Ų113.682%0.82268%0.677SS**  trans-79.462.3173.458.40000110.1
93D54.1Low54.9Low79 Ų79115.8 Ų115.842%0.42267%0.673SS.*  trans-91.3108.9-178.1-143.5-46.1000109.6C91 T95 I96C91-D93 PolarHBondContact O-N 3.07Å; D93-T95 PolarHBondContact O-N 3.26Å; D93-T95 VanDerWaalsContact OD1-CB 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.27Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.49Å; D93-I96 WeakPolarHBondContact O-CG2 3.23Å; D93-I96 PolarHBondContact O-N 3.47Å
94K64.8Low56.3Low174 Ų174117.9 Ų117.976%0.75767%0.669SS**Hα-helixtrans-62.9-12.5179.7-63-171.4174.4-165.60113I96 A98K94-I96 VanDerWaalsContact C-N 3.28Å; K94-A98 PolarHBondContact O-N 3.5Å
95T68.2Low57.3Low103 Ų103119.5 Ų119.563%0.63267%0.671SS**Hα-helixtrans-65.1-29.6170.6-40.40000112.2D93 A99D93-T95 PolarHBondContact O-N 3.26Å; D93-T95 VanDerWaalsContact OD1-CB 3.31Å; D93-T95 WeakPolarHBondContact OD1-CB 3.27Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.49Å; T95-A99 PolarHBondContact O-N 3.19Å
96I65.2Low58.4Low105 Ų105119.1 Ų119.154%0.53867%0.669SS.*Hα-helixtrans-82.5-41.9-175-138.7166.4000112D93 K94 A98 A99 E100D93-I96 WeakPolarHBondContact O-CG2 3.23Å; D93-I96 PolarHBondContact O-N 3.47Å; K94-I96 VanDerWaalsContact C-N 3.28Å; I96-A98 PolarHBondContact O-N 2.76Å; I96-A99 WeakPolarHBondContact O-CA 3.32Å; I96-A99 WeakPolarHBondContact O-CB 3.27Å; I96-A99 PolarHBondContact O-N 3.1Å; I96-E100 PolarHBondContact O-N 3.31Å
97E74.6Confident58.9Low135 Ų135117.4 Ų117.463%0.63166%0.658SS**Hα-helixtrans-57.7-38.9172.5-177.8179.8-163.100111.2A101E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 2.93Å; E97-A101 VanDerWaalsContact O-N 3.08Å
98A72.4Confident59.3Low55 Ų55118.3 Ų118.346%0.45566%0.66SS.*Hα-helixtrans-70.3-28174.100000113.7K94 I96 L102K94-A98 PolarHBondContact O-N 3.5Å; I96-A98 PolarHBondContact O-N 2.76Å; A98-L102 WeakPolarHBondContact O-CG 3.06Å; A98-L102 PolarHBondContact O-N 2.91Å
99A72.8Confident59.3Low45 Ų45118.6 Ų118.637%0.37267%0.667SS.*Hα-helixtrans-76.7-42.4175.400000111.5T95 I96 A101 L102 L103T95-A99 PolarHBondContact O-N 3.19Å; I96-A99 WeakPolarHBondContact O-CA 3.32Å; I96-A99 WeakPolarHBondContact O-CB 3.27Å; I96-A99 PolarHBondContact O-N 3.1Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.35Å; A99-L102 PolarHBondContact O-N 3.1Å; A99-L103 WeakPolarHBondContact O-CG 3.09Å; A99-L103 PolarHBondContact O-N 2.78Å
100E67.3Low59.1Low117 Ų117119.4 Ų119.455%0.54767%0.665SS.*Hα-helixtrans-61.1-41.1174.3-68.4176.7143.400111.3I96 L102 L103 H104I96-E100 PolarHBondContact O-N 3.31Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 3.33Å; E100-L103 PolarHBondContact O-N 3.38Å; E100-L103 VanDerWaalsContact O-N 3.15Å; E100-H104 PolarHBondContact O-CD2 3.5Å; E100-H104 PolarHBondContact O-N 3.39Å
101A70.4Confident59.1Low67 Ų67118.8 Ų118.855%0.55467%0.666SS**Hα-helixtrans-61.3-29.6175.200000114.1E97 A99E97-A101 WeakPolarHBondContact O-CB 3.37Å; E97-A101 PolarHBondContact O-N 2.93Å; E97-A101 VanDerWaalsContact O-N 3.08Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.35Å
102L71.3Confident59.2Low136 Ų136125.6 Ų125.671%0.71268%0.679SS**Hα-helixtrans-80.1-26.4176.2-72.7170.4000112.9A98 A99 E100A98-L102 WeakPolarHBondContact O-CG 3.06Å; A98-L102 PolarHBondContact O-N 2.91Å; A99-L102 PolarHBondContact O-N 3.1Å; E100-L102 VanDerWaalsContact C-N 3.26Å; E100-L102 PolarHBondContact O-N 3.33Å
103L69.6Low58.1Low150 Ų150125.8 Ų125.879%0.78568%0.675SS**Hα-helixtrans-80.5-17.8178.5-67.1171.2000113.3A99 E100A99-L103 WeakPolarHBondContact O-CG 3.09Å; A99-L103 PolarHBondContact O-N 2.78Å; E100-L103 PolarHBondContact O-N 3.38Å; E100-L103 VanDerWaalsContact O-N 3.15Å
104H63.4Low57.3Low167 Ų167127.4 Ų127.477%0.77369%0.692SS**THydrogen-bonded Turntrans-94.711177.4-81.4-70.7000114.9E100 E106E100-H104 PolarHBondContact O-CD2 3.5Å; E100-H104 PolarHBondContact O-N 3.39Å; H104-E106 PolarHBondContact O-N 3.23Å
105M62.7Low55.9Low146 Ų146130 Ų13072%0.71970%0.697SS**  trans-78.483.3172.3-81.7-107.956.900111.4
106E57.6Low54.3Low175 Ų175130.2 Ų130.282%0.81870%0.703SS**  trans-65.3136.7170-171173.5175.300111.3H104H104-E106 PolarHBondContact O-N 3.23Å
107S45.7Very low53.4Low90 Ų90130 Ų13063%0.62971%0.709SS**  trans-70125.6-178.1-68.40000111.6T109S107-T109 PolarHBondContact O-N 3.1Å
108P46.6Very low51.5Low134 Ų134129.7 Ų129.787%0.8772%0.716SS**  trans-75.285.2-17830.5-35.5000111.8
109T38.4Very low49.6Very low123 Ų123135.2 Ų135.276%0.75573%0.732SS**  trans-97130.9171.153.30000111.2S107S107-T109 PolarHBondContact O-N 3.1Å
110C36.5Very low47.9Very low117 Ų117138.6 Ų138.679%0.79175%0.748SS**  trans55.9112.3172.5-159.40000118
111L41.4Very low46.1Very low151 Ų151142.4 Ų142.479%0.79176%0.763SS**  -168.8118120.3-108173.7000111.4
112R42.3Very low44.6Very low235 Ų235144.7 Ų144.789%0.88777%0.77SS**  -163.4123.4123-100.4-62.7153.1-170.6-3.7110.7
113D33.8Very low43.3Very low137 Ų137144 Ų14473%0.73377%0.773SS**  trans-68.2145.3172.8-175-80.5000112
114S37.2Very low42.5Very low113 Ų113141.6 Ų141.679%0.7977%0.767SS**  trans-159.4121.7138.943.10000113.7
115R36.3Very low41Very low229 Ų229138.9 Ų138.986%0.86477%0.765SS**  trans75.390.5152.8-168.8176.6-75.6-136.6-2.4119
116S35.5Very low39.6Very low107 Ų107137.8 Ų137.875%0.74877%0.766SS**  trans-46.9143.8139.2-179.30000111.1
117P46.3Very low38.4Very low102 Ų102133.7 Ų133.766%0.66276%0.757SS**  -144.1163.451.241.8-23.6000119
118V33.4Very low37.9Very low128 Ų128135.8 Ų135.878%0.77677%0.766SS**  trans52.6118.5142.3176.50000116.4
119E33.8Very low38.4Very low171 Ų171134.7 Ų134.780%0.79976%0.759SS**  -172.7-179.763.1-147178.1163.200112.9
120V35.8Very low38Very low115 Ų115137.1 Ų137.170%0.69776%0.762SS**  trans59.298.2155-1770000120.6
121F30.6Very low38Very low197 Ų197140.6 Ų140.686%0.86476%0.764SS**  71131.2114.7-132.5-102.6000123.4
122V38.4Very low38Very low115 Ų115140.1 Ų140.170%0.69776%0.761SS**  trans-87.4142.5174.4166.20000111.2
123P43.8Very low37.7Very low121 Ų121136.7 Ų136.779%0.78676%0.755SS**  -145.4168118.928.3-7.2000115.8
124P52.4Low37.8Very low100 Ų100134.5 Ų134.565%0.64976%0.756SS**  trans-134.1-174.5-15337.9-17.5000117.1
125C33.4Very low37.7Very low110 Ų110133.4 Ų133.474%0.74375%0.754SS**  trans61.7172.7160.456.70000117.1
126V31.5Very low37.6Very low123 Ų123131.2 Ų131.275%0.74576%0.755SS**  cis-152.3165.520.5-139.40000113.1
127S32.4Very low37.8Very low90 Ų90137.3 Ų137.363%0.62976%0.762SS**  trans70.197.9140.6-79.30000124
128T35.4Very low37.8Very low133 Ų133137.2 Ų137.282%0.81676%0.761SS**  69.1165.2111.953.20000120.1
129P58.7Low37.7Very low112 Ų112138 Ų13873%0.72776%0.761SS**  trans-120.7-173.3-142.944.6-34.5000114.9
130E28.2Very low37.8Very low173 Ų173135.6 Ų135.681%0.80876%0.758SS**  trans-153.7157.7150.2-152.162.6-97.500111
131F37.8Very low38.2Very low190 Ų190137.2 Ų137.283%0.83376%0.761SS**  trans-79.2172.1169.5-90.6-133.3000111.4
132I40.6Very low38.5Very low142 Ų142133.2 Ų133.273%0.72875%0.753SS**  173123.3112.6-91.1179.1000113.6
133H37.5Very low38.3Very low163 Ų163136.4 Ų136.476%0.75576%0.76SS**  trans59128.4144.7-67.8-128.2000119.9
134A34.3Very low38Very low91 Ų91136.4 Ų136.475%0.75276%0.758SS**  71.914279.900000113.4
135A35.6Very low37.2Very low90 Ų90137.7 Ų137.774%0.74476%0.764SS**  cis-165.2-154.3-7.900000109.1
136M35Very low37.2Very low182 Ų182138.8 Ų138.890%0.89777%0.767SS**  trans81.6109.4160.2-52.1-169.272.500119.7
137R38.7Very low37.5Very low235 Ų235141.7 Ų141.789%0.88777%0.772SS**  trans-87.7171.6138.3-86.5-178.8179155.30.5108
138P45.8Very low37.5Very low101 Ų101143.9 Ų143.966%0.65678%0.782SS**  cis-149.3-171.730.545.6-24.7000118.9
139D33Very low37.4Very low145 Ų145142.3 Ų142.378%0.77578%0.776SS**  trans81.6118.1147-64.8-23.2000125.6
140V35.6Very low36.3Very low120 Ų120143.6 Ų143.673%0.72778%0.782SS**  61.6101.5129-175.50000121.3
141I43.7Very low36.5Very low148 Ų148144.8 Ų144.876%0.75979%0.787SS**  -177.8129.8113.744.9178.3000107.1
142T36.9Very low36Very low114 Ų114143.9 Ų143.970%0.69979%0.786SS**  59.5115.165.965.10000115.9
143E34.6Very low35.8Very low182 Ų182141.6 Ų141.685%0.8578%0.783SS**  trans67.6147.5168.9-57.5-170.5152.100115.5
144T37.6Very low35.8Very low120 Ų120142.4 Ų142.474%0.73679%0.787SS**  cis-153.6172.5-10.29.40000110.4
145V34.2Very low36.6Very low128 Ų128143 Ų14378%0.77678%0.783SS**  trans-3.9130.8157-178.70000118.3
146V33.4Very low36.6Very low132 Ų132147.6 Ų147.680%0.879%0.791SS**  trans-155.1145.4139.6126.80000110.7
147E37.7Very low36.6Very low184 Ų184145.3 Ų145.386%0.8678%0.783SS**  trans-88141.7172.7-62.2172.8110.900110.1
148V32.9Very low36.3Very low137 Ų137140.4 Ų140.483%0.8378%0.779SS**  trans-107.1134.4176.4177.30000110.4
149S34.5Very low36Very low100 Ų100141 Ų14170%0.69979%0.785SS**  trans-146.1146.3175.6-780000111.7
150T34.2Very low36.8Very low138 Ų138139.1 Ų139.185%0.84778%0.781SS**  trans61.8111.8151.853.20000122.2
151E32.7Very low36.7Very low198 Ų198141.2 Ų141.293%0.92579%0.787SS**  trans-171.1152.4151.656.3-163.7162.800106.9
152E28.2Very low36.8Very low171 Ų171139.2 Ų139.280%0.79978%0.783SS**  cis-147.1128.6-12.8-17717918.600106.3
153S34.5Very low36.3Very low95 Ų95140.3 Ų140.366%0.66479%0.79SS**  56.7132.991.6134.40000116.9
154E37.7Very low36.2Very low179 Ų179136.3 Ų136.384%0.83678%0.782SS**  cis-137.8-86.7-11.2-91.1-143.3128.700115.7
155P52.3Low36.5Very low104 Ų104136.4 Ų136.468%0.67579%0.785SS**  trans-137.1165.4-131.639.7-21.7000119.9
156M34.3Very low36.2Very low187 Ų187136.1 Ų136.192%0.92178%0.779SS**  -165.9162.2127.6-105.4-62.7170.600113.3
157D35.9Very low36.1Very low134 Ų134134.4 Ų134.472%0.71777%0.773SS**  trans-82.9152.4-157.4-151.2-61.4000116.9
158T31.6Very low35.8Very low132 Ų132132.9 Ų132.981%0.8177%0.766SS**  165.9156.9128.538.70000114.5
159S40.4Very low35.9Very low112 Ų112132.4 Ų132.478%0.78375%0.754SS**  trans-153.4-180-179.5-70.70000109
160P50.2Low36.2Very low106 Ų106133.2 Ų133.269%0.68876%0.757SS**  cis-143173.74.944.2-26000118.3
161I32.3Very low36Very low164 Ų164132.3 Ų132.384%0.84175%0.745SS**  trans75.6152.8140.9-83.5167.8000119.9
162P47.4Very low36.1Very low107 Ų107129.6 Ų129.670%0.69573%0.73SS**  trans-131.9-177.3-134.546-33.3000117.7
163T25.1Very low36.6Very low136 Ų136129.4 Ų129.483%0.83473%0.726SS**  trans-154160.6160.20.60000116.2
164S32.3Very low36.7Very low99 Ų99133.3 Ų133.369%0.69273%0.731SS**  trans-32.5160163.848.80000118.2
165P43.5Very low36.5Very low122 Ų122133.4 Ų133.479%0.79273%0.729SS**  cis-131.9172.13944-28.5000114.6
166D28.8Very low35.8Very low122 Ų122135 Ų13565%0.65274%0.736SS**  cis78.2106.728-164.277.5000118.3
167S31.6Very low35.9Very low96 Ų96129.2 Ų129.267%0.67173%0.725SS**  173113.1119.3-103.30000113.8
168H31.6Very low36.1Very low152 Ų152135.2 Ų135.270%0.70474%0.737SS**  trans45.5112.2145-63.1-72.3000124.5
169E34.6Very low36.2Very low127 Ų127138.5 Ų138.559%0.59374%0.741SS**  42.7164.1105.2-69.8-92.275.300121.8M171E169-M171 VanDerWaalsContact OE1-CE 3.23Å; E169-M171 WeakPolarHBondContact OE1-CE 3.44Å; E169-M171 WeakPolarHBondContact OE1-CG 3.28Å
170P40.5Very low36.9Very low117 Ų117138.7 Ų138.776%0.7674%0.739SS**  cis-120.9165.2-1121.32.5000112.5
171M29.7Very low35.9Very low118 Ų118143 Ų14358%0.58175%0.747SS**  cis96.9114.833.8-84.7-161.5-168.600118.9E169E169-M171 VanDerWaalsContact OE1-CE 3.23Å; E169-M171 WeakPolarHBondContact OE1-CE 3.44Å; E169-M171 WeakPolarHBondContact OE1-CG 3.28Å
172K35.7Very low35.8Very low142 Ų142140.6 Ų140.662%0.61774%0.74SS**  trans85.6119.5131.1-70.1169.5177.7155.50123.5
173K38.1Very low35.1Very low166 Ų166143.8 Ų143.872%0.72275%0.746SS**  trans78.7160.2131.2-63.4169.9-173174.50117.5
174K36.2Very low35.4Very low178 Ų178146.5 Ų146.577%0.77475%0.749SS**  cis-162.5150.17.2-135.5171.1-177.2-1800114.6
175K34.6Very low35.4Very low181 Ų181146.8 Ų146.879%0.78775%0.751SS**  trans55.7122.2144.5-92.3-161.6168.9-173.10124.9
176V37.5Very low36.1Very low137 Ų137146.3 Ų146.383%0.8375%0.748SS**  70.2129.8124.51730000122.1
177G35.9Very low36.3Very low66 Ų66148 Ų14868%0.6876%0.756SS**  trans169.860154.900000125.1
178R39.5Very low36.2Very low259 Ų259147.6 Ų147.698%0.97775%0.753SS**  trans67-171.7152.8-62.4179.7173.2175.2-2.2118.8
179K34.8Very low36.2Very low202 Ų202148 Ų14888%0.87876%0.76SS**  trans-118.1-158.6-153-54.2-176.8177.5-178.60114.5
180P54.9Low36Very low115 Ų115145.5 Ų145.575%0.74777%0.768SS**  -129.2170.1-105.341.3-22.5000115.9
181K28.9Very low35.6Very low197 Ų197145.5 Ų145.586%0.85777%0.771SS**  trans-160.4137.7162.7-147116.9-176.9-175.60118.4
182T30.4Very low36.6Very low113 Ų113145.4 Ų145.469%0.69378%0.779SS**  trans62.4148143-66.20000123
183Q33Very low36.4Very low174 Ų174147.7 Ų147.781%0.81379%0.792SS**  trans-67.2161179.5-54.1159.3-55.400115
184Q31.8Very low36.7Very low193 Ų193147.6 Ų147.690%0.90280%0.798SS**  -160.3161.9125.5-114.7155.8103.600113.4
185S31.3Very low37Very low106 Ų106142.8 Ų142.874%0.74180%0.799SS**  trans-164.7177.1174.265.60000107.5
186P59.1Low37.4Very low112 Ų112140.6 Ų140.673%0.72780%0.795SS**  cis-118.2-125.1-20.237.5-21000110.3
187I32.4Very low37.8Very low158 Ų158144.3 Ų144.381%0.8180%0.8SS**  trans85140.3168-57.8159.4000116.2
188S29.6Very low38.1Very low87 Ų87149.3 Ų149.361%0.60880%0.803SS**  cis-172.8171.1-31.4-156.70000112.5
189N31.1Very low38.1Very low161 Ų161144.5 Ų144.586%0.86179%0.789SS**  trans81.2150.4151.5-59.2-15.4000121.9
190G31.6Very low38.4Very low73 Ų73139.9 Ų139.975%0.75378%0.779SS**  trans111.578.6175.700000113.3
191S32Very low38Very low118 Ų118145.8 Ų145.883%0.82579%0.787SS**  77.9158.662.6-128.30000113.4
192P50.3Low39Very low116 Ų116142.9 Ų142.975%0.75378%0.776SS**  -130.5162.6-98.738.2-21.7000115.8
193E31.7Very low39.8Very low190 Ų190141 Ų14189%0.88878%0.779SS**  trans-146.1171.7162.3-135.3-161.7103.100113.4
194L44.6Very low40.5Very low164 Ų164140.5 Ų140.586%0.85977%0.774SS**  trans-121.8163.2-158.5-66.8170.8000113.7
195G41.2Very low41.9Very low77 Ų77133.1 Ų133.179%0.79475%0.75SS**  trans94.447133.400000120.2
196I44.5Very low43.1Very low135 Ų135134 Ų13469%0.69275%0.747SS**  trans-126.7113.8153.3-49.8178.7000110.7K198I196-K198 HydrophobicContact CG2-CD 4.25Å; I196-K198 HydrophobicContact CG2-CG 4.36Å; I196-K198 PolarHBondContact O-N 2.71Å
197K45.6Very low43.6Very low214 Ų214133.6 Ų133.693%0.9374%0.742SS**  trans-7276.3167.4-86.8-164.6175178.50110.9K199K197-K199 PolarHBondContact O-N 3.26Å
198K41.5Very low46.2Very low172 Ų172127 Ų12775%0.74871%0.71SS**  trans-58.5125.6155.8-58.7-68.8-179.1179.70106.8I196I196-K198 HydrophobicContact CG2-CD 4.25Å; I196-K198 HydrophobicContact CG2-CG 4.36Å; I196-K198 PolarHBondContact O-N 2.71Å
199K39.8Very low49.3Very low158 Ų158128.8 Ų128.869%0.68770%0.704SS**  trans-52.7149.8164-74.9-167176.7-175.20108.1K197 R201K197-K199 PolarHBondContact O-N 3.26Å; K199-R201 PolarHBondContact O-N 2.87Å
200P40.3Very low52.3Low104 Ų104121.2 Ų121.268%0.67566%0.663SS**  trans-52.8107.6171.5-23.234.1000108.5E202P200-E202 VanDerWaalsContact O-CD 3.23Å; P200-E202 PolarHBondContact O-N 3.4Å
201R46.5Very low55.3Low240 Ų240120.6 Ų120.691%0.90664%0.638SS**  trans-62.7109.3170.2178.2179.6-175.11661.4104.1K199 G203K199-R201 PolarHBondContact O-N 2.87Å; R201-G203 PolarHBondContact O-N 3.03Å
202E51.1Low58.2Low136 Ų136117.7 Ų117.764%0.63661%0.612SS**  trans-62.971.4-171.1-8981.4-151.600113.2P200 K204P200-E202 VanDerWaalsContact O-CD 3.23Å; P200-E202 PolarHBondContact O-N 3.4Å; E202-K204 PolarHBondContact O-N 2.88Å
203G47.5Very low60.2Low73 Ų73112.8 Ų112.875%0.75358%0.578SS**  trans-73.437.4171.600000112.5R201 G205R201-G203 PolarHBondContact O-N 3.03Å; G203-G205 PolarHBondContact O-N 3.17Å
204K48Very low63.2Low163 Ų163103.8 Ų103.871%0.70954%0.536SS*.  trans-74-0.8162.9-149.377.6176.4-171.70111.3E202 N206E202-K204 PolarHBondContact O-N 2.88Å; K204-N206 PolarHBondContact O-N 2.84Å
205G59.3Low65.4Low39 Ų3996.1 Ų96.140%0.40250%0.496SS..THydrogen-bonded Turntrans-74.474.8178.500000114.2G203G203-G205 PolarHBondContact O-N 3.17Å
206N57.6Low67.7Low125 Ų12596.1 Ų96.167%0.66848%0.478SS*.THydrogen-bonded Turntrans-138.6-40.5156.660.5-1.1000113.2K204K204-N206 PolarHBondContact O-N 2.84Å
207T69.4Low69.9Low103 Ų10389.9 Ų89.963%0.63245%0.446SS*.THydrogen-bonded Turntrans-106.6-11.7-173.753.60000116.7Y209T207-Y209 PolarHBondContact O-N 2.83Å
208T88.1Confident72Confident20 Ų2080 Ų8012%0.12340%0.403CS..  trans-57133.7-177.858.60000112.5E212 W250 H253 K254T208-E212 WeakPolarHBondContact CA-OE2 3.47Å; T208-W250 WeakPolarHBondContact O-CH2 3.23Å; T208-H253 WeakPolarHBondContact CB-NE2 2.81Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.36Å; T208-H253 PolarHBondContact OG1-CD2 3.1Å; T208-H253 PolarHBondContact OG1-NE2 3.29Å; T208-K254 PolarHBondContact O-NZ 2.98Å
209Y93.6Very high74.2Confident124 Ų12473.4 Ų73.449%0.48638%0.375SS..  trans-82.5160.4172.5-63.1-67.3000111.5T207 W211 E212 F213 W250T207-Y209 PolarHBondContact O-N 2.83Å; Y209-W211 VanDerWaalsContact C-N 3.34Å; Y209-W211 AromaticContact CD2-NE1 3.79Å; Y209-W211 AromaticContact CG-NE1 3.81Å; Y209-E212 PolarHBondContact N-OE2 2.83Å; Y209-E212 PolarHBondContact O-N 2.76Å; Y209-F213 PolarHBondContact O-N 2.94Å; Y209-W250 VanDerWaalsContact C-CH2 3.4Å; Y209-W250 WeakPolarHBondContact O-CH2 3.35Å
210L94.4Very high76.2Confident1 Ų168.6 Ų68.61%0.00536%0.357CS..Hα-helixtrans-67.4-36.2179.617067.7000111.5E212 F213 L214 W250 M264 A267 L268 Y271L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.36Å; L210-F213 HydrophobicContact CD1-CD1 4.13Å; L210-F213 PolarHBondContact O-N 2.82Å; L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CD1-CD2 4.37Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.16Å; L210-L214 PolarHBondContact O-N 2.9Å; L210-W250 VanDerWaalsContact CA-CH2 3.46Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.8Å; L210-W250 HydrophobicContact CD1-CE3 4.35Å; L210-W250 HydrophobicContact CD1-CG 3.9Å; L210-W250 HydrophobicContact CD1-CZ2 4.25Å; L210-M264 HydrophobicContact CD1-CG 3.75Å; L210-M264 HydrophobicContact CD1-SD 3.72Å; L210-M264 HydrophobicContact CD2-CG 3.47Å; L210-M264 VanDerWaalsContact CD2-CG 3.47Å; L210-M264 HydrophobicContact CD2-SD 4.4Å; L210-M264 HydrophobicContact CG-CG 4.28Å; L210-A267 HydrophobicContact CD2-CB 3.69Å; L210-L268 HydrophobicContact CD2-CD2 3.93Å; L210-L268 HydrophobicContact CD2-CG 4.02Å; L210-Y271 HydrophobicContact CB-CE2 3.89Å; L210-Y271 HydrophobicContact CD2-CE2 4.23Å; L210-Y271 HydrophobicContact CG-CE2 4.24Å; L210-Y271 PolarHBondContact N-OH 3.48Å; L210-Y271 VanDerWaalsContact N-OH 3.13Å
211W93.9Very high77.4Confident60 Ų6069.8 Ų69.823%0.22735%0.352CS..Hα-helixtrans-66-35.8179.772.2-94.1000112.3Y209 L215 Y271 I276 F289 P293Y209-W211 VanDerWaalsContact C-N 3.34Å; Y209-W211 AromaticContact CD2-NE1 3.79Å; Y209-W211 AromaticContact CG-NE1 3.81Å; W211-L215 PolarHBondContact O-N 3.39Å; W211-L215 VanDerWaalsContact O-N 3.08Å; W211-Y271 HydrophobicContact CB-CD2 4.23Å; W211-Y271 HydrophobicContact CB-CE2 3.87Å; W211-Y271 AromaticContact CD1-CE1 3.85Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; W211-I276 HydrophobicContact CB-CG2 4.17Å; W211-I276 HydrophobicContact CD2-CG2 4.25Å; W211-I276 HydrophobicContact CG-CG2 3.97Å; W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; W211-P293 HydrophobicContact CZ3-CG 4.32Å
212E92.6Very high78.2Confident58 Ų5860.9 Ų60.927%0.27132%0.322SS..Hα-helixtrans-64.3-51.9173.4-61.8168.5157.500110.2T208 Y209 L210 L214 L215 D216T208-E212 WeakPolarHBondContact CA-OE2 3.47Å; Y209-E212 PolarHBondContact N-OE2 2.83Å; Y209-E212 PolarHBondContact O-N 2.76Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 3.36Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.3Å; E212-L215 CarbonylContact O-C 3.51Å; E212-L215 WeakPolarHBondContact O-CA 3.28Å; E212-L215 WeakPolarHBondContact O-CB 3.31Å; E212-L215 PolarHBondContact O-N 3.08Å; E212-D216 PolarHBondContact O-N 3.07Å
213F93.5Very high78.7Confident13 Ų1355.3 Ų55.36%0.05730%0.297CS..Hα-helixtrans-58.8-36.7177.4166.1-91.4000113.2Y209 L210 L217 V246 L249 W250 H253Y209-F213 PolarHBondContact O-N 2.94Å; L210-F213 HydrophobicContact CD1-CD1 4.13Å; L210-F213 PolarHBondContact O-N 2.82Å; F213-L217 HydrophobicContact CE1-CD2 4.19Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.5Å; F213-L217 PolarHBondContact O-N 3.22Å; F213-V246 HydrophobicContact CE1-CG1 4.49Å; F213-L249 HydrophobicContact CE2-CG 4.23Å; F213-L249 HydrophobicContact CZ-CB 4.07Å; F213-L249 HydrophobicContact CZ-CD2 4.1Å; F213-L249 HydrophobicContact CZ-CG 3.83Å; F213-W250 HydrophobicContact CB-CE3 3.69Å; F213-W250 HydrophobicContact CB-CH2 4.4Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.17Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.22Å; F213-W250 AromaticContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CZ3 4.28Å; F213-W250 HydrophobicContact CE1-CB 3.68Å; F213-W250 HydrophobicContact CE1-CE3 4.16Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.42Å; F213-W250 HydrophobicContact CG-CD2 4.42Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 VanDerWaalsContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.05Å; F213-H253 HydrophobicContact CD2-CB 4.14Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å
214L93.7Very high79.3Confident0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-69.5-34.4175.3-69.8168.7000112L210 E212 L218 I228 V246 L268L210-L214 HydrophobicContact CD1-CD1 3.93Å; L210-L214 HydrophobicContact CD1-CD2 4.37Å; L210-L214 HydrophobicContact CD1-CG 3.9Å; L210-L214 HydrophobicContact CD2-CD1 4.36Å; L210-L214 HydrophobicContact CG-CD1 3.78Å; L210-L214 HydrophobicContact CG-CG 4.21Å; L210-L214 WeakPolarHBondContact O-CB 3.31Å; L210-L214 VanDerWaalsContact O-CG 3.22Å; L210-L214 WeakPolarHBondContact O-CG 3.16Å; L210-L214 PolarHBondContact O-N 2.9Å; E212-L214 VanDerWaalsContact C-N 3.28Å; E212-L214 PolarHBondContact O-N 3.3Å; L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 WeakPolarHBondContact O-CD1 3.4Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-L218 VanDerWaalsContact O-N 3.07Å; L214-I228 HydrophobicContact CB-CD1 4.37Å; L214-I228 HydrophobicContact CD2-CD1 3.67Å; L214-V246 HydrophobicContact CD2-CG1 3.65Å; L214-L268 HydrophobicContact CD1-CD2 3.75Å
215L91.4Very high80.7Confident4 Ų448.9 Ų48.92%0.02126%0.259CS..Hα-helixtrans-69.5-41.8173.6-173.977.3000111.7W211 E212 L218 Q219 W230 F289 P293W211-L215 PolarHBondContact O-N 3.39Å; W211-L215 VanDerWaalsContact O-N 3.08Å; E212-L215 CarbonylContact O-C 3.51Å; E212-L215 WeakPolarHBondContact O-CA 3.28Å; E212-L215 WeakPolarHBondContact O-CB 3.31Å; E212-L215 PolarHBondContact O-N 3.08Å; L215-L218 CarbonylContact O-C 3.59Å; L215-L218 WeakPolarHBondContact O-CB 3.39Å; L215-L218 PolarHBondContact O-N 2.85Å; L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 2.87Å; L215-Q219 PolarHBondContact O-NE2 3.25Å; L215-W230 HydrophobicContact CD1-CH2 4.19Å; L215-W230 HydrophobicContact CD1-CZ2 4.22Å; L215-F289 HydrophobicContact CB-CZ 4.23Å; L215-F289 HydrophobicContact CD1-CE2 4.22Å; L215-F289 HydrophobicContact CD1-CZ 4.22Å; L215-P293 HydrophobicContact CD1-CB 4.34Å; L215-P293 HydrophobicContact CD1-CG 4.08Å; L215-P293 HydrophobicContact CD2-CB 3.6Å; L215-P293 HydrophobicContact CD2-CG 3.84Å
216D90.4Very high81.9Confident76 Ų7650.5 Ų50.541%0.40625%0.253SS..Hα-helixtrans-61.3-46174.1-67.6-21.9000110.6E212 L218 Q219 D220E212-D216 PolarHBondContact O-N 3.07Å; D216-L218 PolarHBondContact O-N 3.33Å; D216-Q219 PolarHBondContact O-N 2.93Å; D216-D220 PolarHBondContact O-N 3.22Å; D216-D220 VanDerWaalsContact O-N 3.09Å
217L90.9Very high83.4Confident5 Ų546.6 Ų46.63%0.02623%0.229CC..Hα-helixtrans-63.2-26.5176.4-166.364.4000113.2F213 T223 C224 I228 V246 L249F213-L217 HydrophobicContact CE1-CD2 4.19Å; F213-L217 HydrophobicContact CZ-CD2 4.28Å; F213-L217 VanDerWaalsContact O-CB 3.23Å; F213-L217 WeakPolarHBondContact O-CB 3.5Å; F213-L217 PolarHBondContact O-N 3.22Å; L217-T223 HydrophobicContact CD1-CG2 3.39Å; L217-T223 HydrophobicContact CG-CG2 4.42Å; L217-C224 PolarHBondContact O-SG 3.25Å; L217-C224 VanDerWaalsContact O-SG 3.39Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD2-CB 4.4Å; L217-I228 HydrophobicContact CD2-CG2 3.93Å; L217-I228 HydrophobicContact CG-CG2 3.69Å; L217-V246 HydrophobicContact CD2-CG1 4.11Å; L217-V246 HydrophobicContact CD2-CG2 4.05Å; L217-L249 HydrophobicContact CD1-CD2 3.38Å; L217-L249 HydrophobicContact CD2-CD2 4.24Å; L217-L249 HydrophobicContact CG-CD2 4.47Å
218L89.6Confident84.6Confident6 Ų641.7 Ų41.73%0.03120%0.199CC..THydrogen-bonded Turntrans-84.3-5.2173.7-84.1165.2000114.2L214 L215 D216 I228 K229 W230 F238 F289L214-L218 VanDerWaalsContact O-CB 3.31Å; L214-L218 WeakPolarHBondContact O-CB 3.37Å; L214-L218 WeakPolarHBondContact O-CD1 3.4Å; L214-L218 VanDerWaalsContact O-CG 3.28Å; L214-L218 WeakPolarHBondContact O-CG 3.29Å; L214-L218 PolarHBondContact O-N 3.05Å; L214-L218 VanDerWaalsContact O-N 3.07Å; L215-L218 CarbonylContact O-C 3.59Å; L215-L218 WeakPolarHBondContact O-CB 3.39Å; L215-L218 PolarHBondContact O-N 2.85Å; D216-L218 PolarHBondContact O-N 3.33Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.35Å; L218-I228 HydrophobicContact CD2-CB 4.43Å; L218-I228 HydrophobicContact CD2-CD1 4.43Å; L218-I228 HydrophobicContact CD2-CG1 3.95Å; L218-I228 HydrophobicContact CD2-CG2 3.9Å; L218-I228 HydrophobicContact CG-CD1 3.94Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.88Å; L218-K229 VanDerWaalsContact CD2-C 3.45Å; L218-W230 HydrophobicContact CB-CZ2 3.67Å; L218-W230 HydrophobicContact CD1-CH2 3.88Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.27Å; L218-W230 HydrophobicContact CD2-CD2 4.02Å; L218-W230 HydrophobicContact CD2-CG 4.09Å; L218-W230 HydrophobicContact CD2-CZ2 4.36Å; L218-W230 HydrophobicContact CG-CZ2 4.15Å; L218-W230 PolarHBondContact O-NE1 2.99Å; L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.12Å; L218-F238 HydrophobicContact CD1-CD2 3.91Å; L218-F238 HydrophobicContact CD1-CG 3.65Å; L218-F238 HydrophobicContact CD2-CB 4.09Å; L218-F289 HydrophobicContact CD1-CE2 4.2Å
219Q85.9Confident84.8Confident34 Ų3445.4 Ų45.416%0.15921%0.214CC..THydrogen-bonded Turntrans-104-21.5171.7-69.5165.598.300112.1L215 D216 K221 N295 I299L215-Q219 WeakPolarHBondContact O-CG 3.22Å; L215-Q219 PolarHBondContact O-N 2.87Å; L215-Q219 PolarHBondContact O-NE2 3.25Å; D216-Q219 PolarHBondContact O-N 2.93Å; Q219-K221 PolarHBondContact O-N 3.12Å; Q219-N295 PolarHBondContact OE1-O 3.29Å; Q219-I299 WeakPolarHBondContact O-CD1 3.34Å
220D82Confident84.8Confident57 Ų5741.2 Ų41.231%0.30520%0.197SC..  trans-67.992.1170.7-87.4-28.1000110.7D216 N222 T223 C224D216-D220 PolarHBondContact O-N 3.22Å; D216-D220 VanDerWaalsContact O-N 3.09Å; D220-N222 PolarHBondContact O-N 2.87Å; D220-T223 PolarHBondContact O-N 2.97Å; D220-C224 PolarHBondContact O-N 3.17Å; D220-C224 VanDerWaalsContact O-N 3.08Å
221K66.2Low84.7Confident129 Ų12944 Ų4456%0.56121%0.214SC*.THydrogen-bonded Turntrans-38.8-39.8172.5-64.9-149.6179.4-147.30113.4Q219 C224 I299 D300Q219-K221 PolarHBondContact O-N 3.12Å; K221-C224 VanDerWaalsContact O-O 3.08Å; K221-I299 HydrophobicContact CD-CG2 3.85Å; K221-I299 HydrophobicContact CG-CD1 3.85Å; K221-I299 HydrophobicContact CG-CG1 4.18Å; K221-I299 HydrophobicContact CG-CG2 3.79Å; K221-D300 PolarHBondContact NZ-O 3.47Å
222N62.4Low84.5Confident52 Ų5244.4 Ų44.428%0.27822%0.218SC..THydrogen-bonded Turntrans-69.5-43.7-174.3-55.6-35000111.4D220 C224 N347 C348D220-N222 PolarHBondContact O-N 2.87Å; N222-C224 CarbonylContact C-O 3.47Å; N222-N347 VanDerWaalsContact CA-OD1 3.23Å; N222-N347 WeakPolarHBondContact CA-OD1 3.35Å; N222-N347 HydrophobicContact CB-CB 4.38Å; N222-N347 WeakPolarHBondContact CB-OD1 3.04Å; N222-N347 PolarHBondContact O-ND2 3.15Å; N222-N347 PolarHBondContact O-OD1 3.09Å; N222-C348 HydrophobicContact CB-CB 3.95Å; N222-C348 VanDerWaalsContact OD1-CB 3.27Å; N222-C348 WeakPolarHBondContact OD1-CB 3.46Å; N222-C348 PolarHBondContact OD1-SG 3.34Å; N222-C348 VanDerWaalsContact OD1-SG 3.33Å
223T61.8Low84.3Confident20 Ų2045.4 Ų45.412%0.12322%0.22CC..THydrogen-bonded Turntrans-91.8-23.7-168.8-46.80000111.3L217 D220 Y227 L249L217-T223 HydrophobicContact CD1-CG2 3.39Å; L217-T223 HydrophobicContact CG-CG2 4.42Å; D220-T223 PolarHBondContact O-N 2.97Å; T223-Y227 HydrophobicContact CG2-CD2 3.46Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.46Å; T223-Y227 HydrophobicContact CG2-CE2 3.97Å; T223-Y227 HydrophobicContact CG2-CG 4.49Å; T223-Y227 WeakPolarHBondContact O-CD2 3.42Å; T223-L249 HydrophobicContact CG2-CD2 4.4Å
224C61Low84Confident21 Ų2151 Ų5114%0.14225%0.246CC..THydrogen-bonded Turntrans-71.6153.2156-64.90000110.6L217 D220 K221 N222 I228L217-C224 PolarHBondContact O-SG 3.25Å; L217-C224 VanDerWaalsContact O-SG 3.39Å; D220-C224 PolarHBondContact O-N 3.17Å; D220-C224 VanDerWaalsContact O-N 3.08Å; K221-C224 VanDerWaalsContact O-O 3.08Å; N222-C224 CarbonylContact C-O 3.47Å; C224-I228 PolarHBondContact SG-O 2.93Å; C224-I228 VanDerWaalsContact SG-O 3.36Å
225P76.6Confident83.9Confident80 Ų8056.2 Ų56.252%0.51927%0.269SS..THydrogen-bonded Turncis-89.1-0.1-8.636.2-35.4000113.8Y227 K229 V241P225-Y227 PolarHBondContact O-N 3.22Å; P225-K229 HydrophobicContact CB-CB 4.06Å; P225-K229 HydrophobicContact CB-CD 4.07Å; P225-V241 WeakPolarHBondContact O-CG2 3.32Å
226R84.8Confident83.9Confident72 Ų7256 Ų5627%0.27227%0.268SS..THydrogen-bonded Turntrans-58.2-42.8-168.9-176.8178.5-166.4-156.430113.6V241 S343 S344R226-V241 WeakPolarHBondContact O-CB 3.41Å; R226-V241 VanDerWaalsContact O-CG1 3.28Å; R226-V241 WeakPolarHBondContact O-CG1 3.18Å; R226-S343 PolarHBondContact NE-OG 3.03Å; R226-S343 PolarHBondContact NH2-O 3.36Å; R226-S343 PolarHBondContact NH2-OG 3.08Å; R226-S344 WeakPolarHBondContact CD-O 3.31Å; R226-S344 PolarHBondContact NE-O 3.29Å; R226-S344 PolarHBondContact NH2-O 3.18Å; R226-S344 VanDerWaalsContact NH2-O 3.17Å
227Y90.1Very high84.1Confident44 Ų4453.3 Ų53.317%0.17325%0.253CS..SBendtrans-103.6-41.8-169.5-56.6-64.6000112.2T223 P225 V241 D242 A245 V246T223-Y227 HydrophobicContact CG2-CD2 3.46Å; T223-Y227 VanDerWaalsContact CG2-CD2 3.46Å; T223-Y227 HydrophobicContact CG2-CE2 3.97Å; T223-Y227 HydrophobicContact CG2-CG 4.49Å; T223-Y227 WeakPolarHBondContact O-CD2 3.42Å; P225-Y227 PolarHBondContact O-N 3.22Å; Y227-V241 PolarHBondContact O-N 2.86Å; Y227-D242 HydrophobicContact CD1-CB 4.38Å; Y227-D242 PolarHBondContact O-N 3.01Å; Y227-D242 VanDerWaalsContact O-N 3.16Å; Y227-A245 HydrophobicContact CD1-CB 3.36Å; Y227-A245 HydrophobicContact CE1-CB 3.48Å; Y227-A245 VanDerWaalsContact CE1-CB 3.48Å; Y227-A245 HydrophobicContact CG-CB 4.48Å; Y227-V246 VanDerWaalsContact O-CG2 3.27Å; Y227-V246 WeakPolarHBondContact O-CG2 3.27Å
228I93.9Very high84.3Confident0 Ų053 Ų530%025%0.252CS..EExtended strand (participates in β ladder)trans-144.7152.4176.9-157.8165.6000108L214 L217 L218 C224 F238 K239 L240 V246L214-I228 HydrophobicContact CB-CD1 4.37Å; L214-I228 HydrophobicContact CD2-CD1 3.67Å; L217-I228 HydrophobicContact CB-CG2 4.21Å; L217-I228 HydrophobicContact CD2-CB 4.4Å; L217-I228 HydrophobicContact CD2-CG2 3.93Å; L217-I228 HydrophobicContact CG-CG2 3.69Å; L218-I228 HydrophobicContact CD1-CD1 4Å; L218-I228 HydrophobicContact CD1-CG1 4.35Å; L218-I228 HydrophobicContact CD2-CB 4.43Å; L218-I228 HydrophobicContact CD2-CD1 4.43Å; L218-I228 HydrophobicContact CD2-CG1 3.95Å; L218-I228 HydrophobicContact CD2-CG2 3.9Å; L218-I228 HydrophobicContact CG-CD1 3.94Å; L218-I228 HydrophobicContact CG-CG1 4.01Å; L218-I228 HydrophobicContact CG-CG2 3.88Å; C224-I228 PolarHBondContact SG-O 2.93Å; C224-I228 VanDerWaalsContact SG-O 3.36Å; I228-F238 HydrophobicContact CD1-CD2 3.82Å; I228-F238 HydrophobicContact CD1-CE2 4.08Å; I228-F238 HydrophobicContact CG1-CD2 4.11Å; I228-K239 CarbonylContact C-O 3.59Å; I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.34Å; I228-L240 HydrophobicContact CD1-CD1 3.64Å; I228-L240 HydrophobicContact CD1-CG 4.18Å; I228-L240 HydrophobicContact CG1-CD1 3.96Å; I228-L240 HydrophobicContact CG1-CG 4.3Å; I228-V246 HydrophobicContact CB-CG2 4.44Å
229K92.4Very high84.5Confident97 Ų9756.7 Ų56.742%0.42227%0.267SS..EExtended strand (participates in β ladder)trans-152154.4170.470174.1-166.9166.70112.7L218 P225 F238 K239 V241L218-K229 VanDerWaalsContact CD2-C 3.45Å; P225-K229 HydrophobicContact CB-CB 4.06Å; P225-K229 HydrophobicContact CB-CD 4.07Å; K229-F238 CarbonylContact O-C 3.56Å; K229-F238 VanDerWaalsContact O-CA 3.31Å; K229-F238 WeakPolarHBondContact O-CA 3.47Å; K229-F238 WeakPolarHBondContact O-CB 3.36Å; K229-K239 PolarHBondContact N-O 3.14Å; K229-K239 PolarHBondContact O-N 2.83Å; K229-V241 HydrophobicContact CD-CG2 4.33Å; K229-V241 HydrophobicContact CG-CG2 3.97Å
230W92.8Very high85Confident36 Ų3655.1 Ų55.114%0.13626%0.26CS..EExtended strand (participates in β ladder)trans-63.3144.9163.1-64.1104.3000110.1L215 L218 R233 F238 F289 M292 I296L215-W230 HydrophobicContact CD1-CH2 4.19Å; L215-W230 HydrophobicContact CD1-CZ2 4.22Å; L218-W230 HydrophobicContact CB-CZ2 3.67Å; L218-W230 HydrophobicContact CD1-CH2 3.88Å; L218-W230 HydrophobicContact CD1-CZ2 3.79Å; L218-W230 HydrophobicContact CD1-CZ3 4.27Å; L218-W230 HydrophobicContact CD2-CD2 4.02Å; L218-W230 HydrophobicContact CD2-CG 4.09Å; L218-W230 HydrophobicContact CD2-CZ2 4.36Å; L218-W230 HydrophobicContact CG-CZ2 4.15Å; L218-W230 PolarHBondContact O-NE1 2.99Å; W230-R233 HydrophobicContact CB-CB 4.23Å; W230-R233 HydrophobicContact CD2-CB 4.48Å; W230-R233 HydrophobicContact CD2-CG 4.32Å; W230-R233 HydrophobicContact CG-CB 4.27Å; W230-R233 HydrophobicContact CG-CG 4.29Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.19Å; W230-F238 HydrophobicContact CZ3-CD1 4.36Å; W230-F289 AromaticContact CH2-CD2 3.92Å; W230-F289 HydrophobicContact CH2-CD2 3.92Å; W230-F289 AromaticContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CZ3-CD2 4.06Å; W230-F289 HydrophobicContact CZ3-CE2 4.23Å; W230-M292 HydrophobicContact CH2-CE 3.7Å; W230-M292 HydrophobicContact CH2-SD 4.28Å; W230-M292 HydrophobicContact CZ2-CE 4.22Å; W230-M292 HydrophobicContact CZ3-CE 3.98Å; W230-M292 HydrophobicContact CZ3-SD 4.43Å; W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.5Å
231T92.3Very high85.6Confident60 Ų6055.2 Ų55.237%0.36826%0.262SS..EExtended strand (participates in β ladder)trans-116.4-37.5173.5-57.70000110.5I237T231-I237 PolarHBondContact N-O 3.28Å
232Q90.6Very high86.9Confident68 Ų6851.6 Ų51.632%0.31825%0.249SC..EExtended strand (participates in β ladder)trans-14496.3167.9-91156.584.500105.7E234 K235 G236 I237Q232-E234 VanDerWaalsContact C-N 3.33Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.39Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.43Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.43Å; Q232-K235 HydrophobicContact CB-CB 4.27Å; Q232-K235 PolarHBondContact O-N 2.85Å; Q232-G236 PolarHBondContact O-N 3.47Å; Q232-I237 HydrophobicContact CB-CB 4.07Å; Q232-I237 HydrophobicContact CB-CD1 4.15Å; Q232-I237 HydrophobicContact CB-CG1 4.34Å; Q232-I237 PolarHBondContact N-O 3.16Å; Q232-I237 VanDerWaalsContact N-O 3.1Å; Q232-I237 PolarHBondContact O-N 3.31Å
233R88Confident88.5Confident79 Ų7950.2 Ų50.230%0.29824%0.244SC..THydrogen-bonded Turntrans-64.4-40.5-172.8-176.4-173.7-73.2170.6-6110.9W230 K235 G236 M292 I296 I299W230-R233 HydrophobicContact CB-CB 4.23Å; W230-R233 HydrophobicContact CD2-CB 4.48Å; W230-R233 HydrophobicContact CD2-CG 4.32Å; W230-R233 HydrophobicContact CG-CB 4.27Å; W230-R233 HydrophobicContact CG-CG 4.29Å; R233-K235 VanDerWaalsContact C-N 3.29Å; R233-K235 PolarHBondContact O-N 3.3Å; R233-G236 PolarHBondContact O-N 2.91Å; R233-G236 VanDerWaalsContact O-N 3.12Å; R233-M292 WeakPolarHBondContact O-CE 3.23Å; R233-I296 HydrophobicContact CG-CD1 4.06Å; R233-I299 PolarHBondContact NH1-O 3.46Å; R233-I299 PolarHBondContact NH2-O 3.45Å
234E88Confident90.1Very high131 Ų13156.9 Ų56.961%0.61227%0.271SS*.THydrogen-bonded Turntrans-65.7-2718077.7-54.915100113.6Q232Q232-E234 VanDerWaalsContact C-N 3.33Å; Q232-E234 WeakPolarHBondContact CA-OE2 3.39Å; Q232-E234 VanDerWaalsContact CB-OE1 3.27Å; Q232-E234 WeakPolarHBondContact CB-OE1 3.43Å; Q232-E234 WeakPolarHBondContact CG-OE1 3.43Å
235K90.1Very high91.7Very high110 Ų11056.8 Ų56.848%0.47827%0.272SS..THydrogen-bonded Turntrans-100.25173.8-64.2172.3-153.9164.40113.3Q232 R233 I237 Q288Q232-K235 HydrophobicContact CB-CB 4.27Å; Q232-K235 PolarHBondContact O-N 2.85Å; R233-K235 VanDerWaalsContact C-N 3.29Å; R233-K235 PolarHBondContact O-N 3.3Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 4.01Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.43Å; K235-I237 PolarHBondContact O-N 2.77Å; K235-Q288 VanDerWaalsContact O-CG 3.29Å; K235-Q288 WeakPolarHBondContact O-CG 3.37Å; K235-Q288 PolarHBondContact O-NE2 2.84Å
236G91.8Very high92.6Very high0 Ų053 Ų530%025%0.247CC..THydrogen-bonded Turntrans65.622-176.700000114.8Q232 R233 Q288 F289 M292Q232-G236 PolarHBondContact O-N 3.47Å; R233-G236 PolarHBondContact O-N 2.91Å; R233-G236 VanDerWaalsContact O-N 3.12Å; G236-Q288 WeakPolarHBondContact O-CA 3.45Å; G236-F289 PolarHBondContact O-N 2.92Å; G236-M292 VanDerWaalsContact CA-SD 3.52Å
237I94.1Very high93.2Very high18 Ų1849.5 Ų49.59%0.09223%0.234CC..EExtended strand (participates in β ladder)trans-90125.1-178.6-52.9175.3000110.2T231 Q232 K235 V280 V286 Y287 Q288T231-I237 PolarHBondContact N-O 3.28Å; Q232-I237 HydrophobicContact CB-CB 4.07Å; Q232-I237 HydrophobicContact CB-CD1 4.15Å; Q232-I237 HydrophobicContact CB-CG1 4.34Å; Q232-I237 PolarHBondContact N-O 3.16Å; Q232-I237 VanDerWaalsContact N-O 3.1Å; Q232-I237 PolarHBondContact O-N 3.31Å; K235-I237 VanDerWaalsContact C-N 3.26Å; K235-I237 HydrophobicContact CB-CD1 4.01Å; K235-I237 HydrophobicContact CB-CG1 3.96Å; K235-I237 HydrophobicContact CD-CD1 4.43Å; K235-I237 PolarHBondContact O-N 2.77Å; I237-V280 HydrophobicContact CG2-CG2 4.1Å; I237-V286 HydrophobicContact CG2-CG1 3.57Å; I237-Y287 CarbonylContact C-O 3.58Å; I237-Y287 WeakPolarHBondContact CA-O 3.19Å; I237-Q288 HydrophobicContact CG1-CB 4.03Å; I237-Q288 HydrophobicContact CG1-CG 3.73Å
238F95Very high93.4Very high0 Ų054.8 Ų54.80%026%0.258CS..EExtended strand (participates in β ladder)trans-131.4156.9179.766.1-86.7000112.3L218 I228 K229 W230 L240 L277 V286 Y287 F289L218-F238 HydrophobicContact CD1-CB 3.64Å; L218-F238 HydrophobicContact CD1-CD1 4.12Å; L218-F238 HydrophobicContact CD1-CD2 3.91Å; L218-F238 HydrophobicContact CD1-CG 3.65Å; L218-F238 HydrophobicContact CD2-CB 4.09Å; I228-F238 HydrophobicContact CD1-CD2 3.82Å; I228-F238 HydrophobicContact CD1-CE2 4.08Å; I228-F238 HydrophobicContact CG1-CD2 4.11Å; K229-F238 CarbonylContact O-C 3.56Å; K229-F238 VanDerWaalsContact O-CA 3.31Å; K229-F238 WeakPolarHBondContact O-CA 3.47Å; K229-F238 WeakPolarHBondContact O-CB 3.36Å; W230-F238 HydrophobicContact CE3-CB 4.02Å; W230-F238 HydrophobicContact CZ3-CB 4.19Å; W230-F238 HydrophobicContact CZ3-CD1 4.36Å; F238-L240 HydrophobicContact CD2-CD1 3.9Å; F238-L240 HydrophobicContact CE2-CD1 3.68Å; F238-L277 HydrophobicContact CE1-CD2 3.84Å; F238-L277 HydrophobicContact CZ-CD1 4.44Å; F238-L277 HydrophobicContact CZ-CD2 4.02Å; F238-V286 WeakPolarHBondContact O-CA 3.45Å; F238-Y287 WeakPolarHBondContact CD1-O 3.36Å; F238-Y287 AromaticContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CG 4.4Å; F238-Y287 HydrophobicContact CZ-CD2 4.22Å; F238-Y287 HydrophobicContact CZ-CG 4.34Å; F238-Y287 PolarHBondContact N-O 2.95Å; F238-Y287 PolarHBondContact O-N 3.19Å; F238-F289 AromaticContact CD1-CD2 3.66Å; F238-F289 HydrophobicContact CD1-CD2 3.66Å; F238-F289 AromaticContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CE2 3.48Å; F238-F289 VanDerWaalsContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CZ 4.42Å; F238-F289 AromaticContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CD2 3.49Å; F238-F289 VanDerWaalsContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CE1 4.48Å; F238-F289 AromaticContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CG 4.23Å; F238-F289 AromaticContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CG-CE2 4.46Å; F238-F289 HydrophobicContact CZ-CE2 4.06Å; F238-F289 HydrophobicContact CZ-CZ 4.23Å
239K94.9Very high93.4Very high82 Ų8257.6 Ų57.636%0.35727%0.272SS..EExtended strand (participates in β ladder)trans-123.7129.2179.1-176165.8-172.6173.50110.4I228 K229 V241 L285 V286I228-K239 CarbonylContact C-O 3.59Å; I228-K239 WeakPolarHBondContact CA-O 3.47Å; I228-K239 WeakPolarHBondContact CG1-O 3.34Å; K229-K239 PolarHBondContact N-O 3.14Å; K229-K239 PolarHBondContact O-N 2.83Å; K239-V241 PolarHBondContact O-N 2.98Å; K239-L285 WeakPolarHBondContact CA-O 3.46Å; K239-V286 HydrophobicContact CB-CG2 3.96Å; K239-V286 HydrophobicContact CD-CG2 3.77Å; K239-V286 HydrophobicContact CG-CG2 3.74Å
240L95.6Very high93.5Very high1 Ų153.7 Ų53.71%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-75.8117.5163.1-82.965.1000107.4I228 F238 V246 M264 L285 Y287I228-L240 HydrophobicContact CD1-CD1 3.64Å; I228-L240 HydrophobicContact CD1-CG 4.18Å; I228-L240 HydrophobicContact CG1-CD1 3.96Å; I228-L240 HydrophobicContact CG1-CG 4.3Å; F238-L240 HydrophobicContact CD2-CD1 3.9Å; F238-L240 HydrophobicContact CE2-CD1 3.68Å; L240-V246 HydrophobicContact CD2-CB 4.28Å; L240-V246 HydrophobicContact CD2-CG1 4.03Å; L240-V246 HydrophobicContact CG-CG1 4.38Å; L240-V246 HydrophobicContact CG-CG2 4.29Å; L240-M264 HydrophobicContact CD2-CE 3.82Å; L240-L285 HydrophobicContact CB-CB 4.19Å; L240-L285 PolarHBondContact N-O 2.94Å; L240-L285 WeakPolarHBondContact O-CB 3.31Å; L240-Y287 HydrophobicContact CD1-CD2 3.96Å; L240-Y287 HydrophobicContact CD1-CE2 3.96Å
241V94.6Very high93.6Very high59 Ų5952 Ų5236%0.35825%0.249SC..SBendtrans-87-42.6-178.6177.30000110.2P225 R226 Y227 K229 K239P225-V241 WeakPolarHBondContact O-CG2 3.32Å; R226-V241 WeakPolarHBondContact O-CB 3.41Å; R226-V241 VanDerWaalsContact O-CG1 3.28Å; R226-V241 WeakPolarHBondContact O-CG1 3.18Å; Y227-V241 PolarHBondContact O-N 2.86Å; K229-V241 HydrophobicContact CD-CG2 4.33Å; K229-V241 HydrophobicContact CG-CG2 3.97Å; K239-V241 PolarHBondContact O-N 2.98Å
242D95Very high93.6Very high54 Ų5457.3 Ų57.329%0.28927%0.267SS..  trans-123.197165.1-178.3-5.4000110.4Y227 K244 A245 V246Y227-D242 HydrophobicContact CD1-CB 4.38Å; Y227-D242 PolarHBondContact O-N 3.01Å; Y227-D242 VanDerWaalsContact O-N 3.16Å; D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CA 3.48Å; D242-K244 VanDerWaalsContact OD1-CB 3.32Å; D242-K244 WeakPolarHBondContact OD1-CB 3.45Å; D242-K244 PolarHBondContact OD1-N 3.32Å; D242-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 PolarHBondContact O-N 2.85Å; D242-A245 PolarHBondContact OD1-N 2.91Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; D242-V246 WeakPolarHBondContact O-CG2 3.39Å; D242-V246 PolarHBondContact O-N 3.08Å
243S95.5Very high93.7Very high22 Ų2257.5 Ų57.515%0.15427%0.268CS..Hα-helixtrans-64.5-25.7177.4600000113.9S247S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 3.33Å; S243-S247 PolarHBondContact O-OG 3.27Å
244K95.7Very high93.8Very high160 Ų16057.6 Ų57.670%0.69627%0.27SS*.Hα-helixtrans-73.5-47176.5-62-175.1178.3-175.30110.1D242 S247 K248D242-K244 VanDerWaalsContact C-N 3.26Å; D242-K244 PolarHBondContact O-N 3.05Å; D242-K244 WeakPolarHBondContact OD1-CA 3.48Å; D242-K244 VanDerWaalsContact OD1-CB 3.32Å; D242-K244 WeakPolarHBondContact OD1-CB 3.45Å; D242-K244 PolarHBondContact OD1-N 3.32Å; K244-S247 WeakPolarHBondContact O-CB 3.45Å; K244-S247 PolarHBondContact O-N 3.01Å; K244-K248 PolarHBondContact O-N 2.88Å
245A94.6Very high94Very high19 Ų1958.2 Ų58.216%0.15728%0.278CS..Hα-helixtrans-68.9-39.4179.200000113.1Y227 D242 S247 K248 L249Y227-A245 HydrophobicContact CD1-CB 3.36Å; Y227-A245 HydrophobicContact CE1-CB 3.48Å; Y227-A245 VanDerWaalsContact CE1-CB 3.48Å; Y227-A245 HydrophobicContact CG-CB 4.48Å; D242-A245 HydrophobicContact CB-CB 4.06Å; D242-A245 PolarHBondContact O-N 2.85Å; D242-A245 PolarHBondContact OD1-N 2.91Å; D242-A245 WeakPolarHBondContact OD2-CB 3.43Å; A245-S247 VanDerWaalsContact C-N 3.26Å; A245-S247 PolarHBondContact O-N 3.02Å; A245-K248 PolarHBondContact O-N 3.38Å; A245-L249 WeakPolarHBondContact O-CB 3.39Å; A245-L249 PolarHBondContact O-N 3.48Å
246V95.5Very high94.2Very high0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-58.1-41.3171.3174.30000110.8F213 L214 L217 Y227 I228 L240 D242 L249 W250 M264F213-V246 HydrophobicContact CE1-CG1 4.49Å; L214-V246 HydrophobicContact CD2-CG1 3.65Å; L217-V246 HydrophobicContact CD2-CG1 4.11Å; L217-V246 HydrophobicContact CD2-CG2 4.05Å; Y227-V246 VanDerWaalsContact O-CG2 3.27Å; Y227-V246 WeakPolarHBondContact O-CG2 3.27Å; I228-V246 HydrophobicContact CB-CG2 4.44Å; L240-V246 HydrophobicContact CD2-CB 4.28Å; L240-V246 HydrophobicContact CD2-CG1 4.03Å; L240-V246 HydrophobicContact CG-CG1 4.38Å; L240-V246 HydrophobicContact CG-CG2 4.29Å; D242-V246 WeakPolarHBondContact O-CG2 3.39Å; D242-V246 PolarHBondContact O-N 3.08Å; V246-L249 PolarHBondContact O-N 3.35Å; V246-W250 WeakPolarHBondContact O-CB 3.14Å; V246-W250 PolarHBondContact O-N 2.82Å; V246-M264 HydrophobicContact CG1-CE 3.95Å; V246-M264 HydrophobicContact CG1-SD 4.17Å
247S96.1Very high94.1Very high0 Ų064.1 Ų64.10%031%0.314CS..Hα-helixtrans-65.8-42.4176.3-55.80000112.8S243 K244 A245 L249 W250 G251 M259 Y261 M264S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 3.33Å; S243-S247 PolarHBondContact O-OG 3.27Å; K244-S247 WeakPolarHBondContact O-CB 3.45Å; K244-S247 PolarHBondContact O-N 3.01Å; A245-S247 VanDerWaalsContact C-N 3.26Å; A245-S247 PolarHBondContact O-N 3.02Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.22Å; S247-W250 PolarHBondContact O-N 3.34Å; S247-G251 PolarHBondContact O-N 2.6Å; S247-M259 CarbonylContact C-O 3.59Å; S247-M259 WeakPolarHBondContact O-CG 3.49Å; S247-Y261 WeakPolarHBondContact OG-CA 3.22Å; S247-Y261 WeakPolarHBondContact OG-CB 3.31Å; S247-Y261 PolarHBondContact OG-N 3.21Å; S247-Y261 VanDerWaalsContact OG-N 3.15Å; S247-M264 WeakPolarHBondContact OG-CE 3.47Å
248K94.8Very high94.1Very high154 Ų15469.5 Ų69.567%0.6734%0.343SS*.Hα-helixtrans-61.6-40.1173.8-75.4-177174.6-172.90112K244 A245 G251 K252K244-K248 PolarHBondContact O-N 2.88Å; A245-K248 PolarHBondContact O-N 3.38Å; K248-G251 PolarHBondContact O-N 3.29Å; K248-K252 WeakPolarHBondContact O-CB 2.88Å; K248-K252 PolarHBondContact O-N 3.2Å
249L94.3Very high94.1Very high59 Ų5970.9 Ų70.931%0.30935%0.35SS..Hα-helixtrans-70.1-40.1179.3-17064000111.6F213 L217 T223 A245 V246 S247 G251 K252 H253F213-L249 HydrophobicContact CE2-CG 4.23Å; F213-L249 HydrophobicContact CZ-CB 4.07Å; F213-L249 HydrophobicContact CZ-CD2 4.1Å; F213-L249 HydrophobicContact CZ-CG 3.83Å; L217-L249 HydrophobicContact CD1-CD2 3.38Å; L217-L249 HydrophobicContact CD2-CD2 4.24Å; L217-L249 HydrophobicContact CG-CD2 4.47Å; T223-L249 HydrophobicContact CG2-CD2 4.4Å; A245-L249 WeakPolarHBondContact O-CB 3.39Å; A245-L249 PolarHBondContact O-N 3.48Å; V246-L249 PolarHBondContact O-N 3.35Å; S247-L249 VanDerWaalsContact C-N 3.34Å; S247-L249 PolarHBondContact O-N 3.22Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.37Å; L249-K252 HydrophobicContact CD1-CD 4.46Å; L249-K252 WeakPolarHBondContact O-CB 3.38Å; L249-K252 PolarHBondContact O-N 3.22Å; L249-H253 WeakPolarHBondContact O-CB 3.45Å; L249-H253 PolarHBondContact O-N 3.29Å
250W94.9Very high94.2Very high15 Ų1570.2 Ų70.26%0.05735%0.351CS..Hα-helixtrans-61.3-40.1169.8177-130.1000112.2T208 Y209 L210 F213 V246 S247 H253 K254 M259 M264T208-W250 WeakPolarHBondContact O-CH2 3.23Å; Y209-W250 VanDerWaalsContact C-CH2 3.4Å; Y209-W250 WeakPolarHBondContact O-CH2 3.35Å; L210-W250 VanDerWaalsContact CA-CH2 3.46Å; L210-W250 HydrophobicContact CB-CH2 4Å; L210-W250 HydrophobicContact CB-CZ2 3.59Å; L210-W250 HydrophobicContact CD1-CD2 3.8Å; L210-W250 HydrophobicContact CD1-CE3 4.35Å; L210-W250 HydrophobicContact CD1-CG 3.9Å; L210-W250 HydrophobicContact CD1-CZ2 4.25Å; F213-W250 HydrophobicContact CB-CE3 3.69Å; F213-W250 HydrophobicContact CB-CH2 4.4Å; F213-W250 HydrophobicContact CB-CZ3 3.44Å; F213-W250 VanDerWaalsContact CB-CZ3 3.44Å; F213-W250 HydrophobicContact CD1-CB 4.17Å; F213-W250 HydrophobicContact CD1-CD2 4.16Å; F213-W250 AromaticContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CE3 3.56Å; F213-W250 HydrophobicContact CD1-CG 4.45Å; F213-W250 HydrophobicContact CD1-CZ3 4.22Å; F213-W250 AromaticContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CE3 3.87Å; F213-W250 HydrophobicContact CD2-CZ3 4.28Å; F213-W250 HydrophobicContact CE1-CB 3.68Å; F213-W250 HydrophobicContact CE1-CE3 4.16Å; F213-W250 HydrophobicContact CE1-CG 4.42Å; F213-W250 HydrophobicContact CE2-CE3 4.42Å; F213-W250 HydrophobicContact CG-CD2 4.42Å; F213-W250 AromaticContact CG-CE3 3.4Å; F213-W250 HydrophobicContact CG-CE3 3.4Å; F213-W250 VanDerWaalsContact CG-CE3 3.4Å; F213-W250 AromaticContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CG-CZ3 3.73Å; F213-W250 HydrophobicContact CZ-CB 4.05Å; V246-W250 WeakPolarHBondContact O-CB 3.14Å; V246-W250 PolarHBondContact O-N 2.82Å; S247-W250 PolarHBondContact O-N 3.34Å; W250-H253 HydrophobicContact CE3-CB 4.43Å; W250-H253 AromaticContact CE3-CD2 3.99Å; W250-H253 AromaticContact CZ3-CD2 3.73Å; W250-H253 PolarHBondContact O-N 2.93Å; W250-K254 HydrophobicContact CD2-CD 4.3Å; W250-K254 HydrophobicContact CD2-CG 4.37Å; W250-K254 HydrophobicContact CE3-CD 4.23Å; W250-K254 HydrophobicContact CE3-CG 4.11Å; W250-K254 HydrophobicContact CH2-CD 3.33Å; W250-K254 HydrophobicContact CH2-CG 4.03Å; W250-K254 HydrophobicContact CZ2-CD 3.34Å; W250-K254 HydrophobicContact CZ2-CG 4.24Å; W250-K254 HydrophobicContact CZ3-CD 3.77Å; W250-K254 HydrophobicContact CZ3-CG 3.93Å; W250-K254 PolarHBondContact O-N 2.65Å; W250-M259 HydrophobicContact CB-CG 4.47Å; W250-M259 HydrophobicContact CG-CG 4.35Å; W250-M264 HydrophobicContact CB-SD 4.13Å; W250-M264 HydrophobicContact CG-SD 4.26Å
251G94.6Very high94.3Very high1 Ų172.9 Ų72.91%0.0136%0.361CS..Hα-helixtrans-58.4-50.3171.600000112.6S247 K248 L249 H253 K254 N255 K256S247-G251 PolarHBondContact O-N 2.6Å; K248-G251 PolarHBondContact O-N 3.29Å; L249-G251 VanDerWaalsContact C-N 3.32Å; L249-G251 PolarHBondContact O-N 3.37Å; G251-H253 VanDerWaalsContact C-N 3.33Å; G251-H253 PolarHBondContact O-N 3.49Å; G251-K254 CarbonylContact O-C 3.4Å; G251-K254 PolarHBondContact O-N 2.9Å; G251-N255 CarbonylContact O-C 3.56Å; G251-N255 WeakPolarHBondContact O-CA 3.45Å; G251-N255 PolarHBondContact O-N 2.91Å; G251-K256 CarbonylContact C-O 3.44Å; G251-K256 WeakPolarHBondContact CA-O 3.48Å; G251-K256 PolarHBondContact O-N 3.39Å
252K92.9Very high94.3Very high171 Ų17174.2 Ų74.274%0.74336%0.363SS*.Hα-helixtrans-57.6-43.9175.1-173.1178.5179.9-179.10111.8K248 L249 K254 N255K248-K252 WeakPolarHBondContact O-CB 2.88Å; K248-K252 PolarHBondContact O-N 3.2Å; L249-K252 HydrophobicContact CD1-CD 4.46Å; L249-K252 WeakPolarHBondContact O-CB 3.38Å; L249-K252 PolarHBondContact O-N 3.22Å; K252-K254 PolarHBondContact O-N 3.47Å; K252-N255 PolarHBondContact O-N 3.47Å
253H91.1Very high94.4Very high73 Ų7375.2 Ų75.234%0.33837%0.372SS..Hα-helixtrans-62.4-37.8178-174.780.9000113.2T208 F213 L249 W250 G251T208-H253 WeakPolarHBondContact CB-NE2 2.81Å; T208-H253 WeakPolarHBondContact CG2-NE2 3.36Å; T208-H253 PolarHBondContact OG1-CD2 3.1Å; T208-H253 PolarHBondContact OG1-NE2 3.29Å; F213-H253 HydrophobicContact CD2-CB 4.14Å; F213-H253 AromaticContact CD2-CG 3.9Å; F213-H253 HydrophobicContact CE2-CB 3.97Å; L249-H253 WeakPolarHBondContact O-CB 3.45Å; L249-H253 PolarHBondContact O-N 3.29Å; W250-H253 HydrophobicContact CE3-CB 4.43Å; W250-H253 AromaticContact CE3-CD2 3.99Å; W250-H253 AromaticContact CZ3-CD2 3.73Å; W250-H253 PolarHBondContact O-N 2.93Å; G251-H253 VanDerWaalsContact C-N 3.33Å; G251-H253 PolarHBondContact O-N 3.49Å
254K91.7Very high94.4Very high80 Ų8074.3 Ų74.335%0.34837%0.365SS..THydrogen-bonded Turntrans-100.111.1179-63.8-158.666.11480115.1T208 W250 G251 K252 K256T208-K254 PolarHBondContact O-NZ 2.98Å; W250-K254 HydrophobicContact CD2-CD 4.3Å; W250-K254 HydrophobicContact CD2-CG 4.37Å; W250-K254 HydrophobicContact CE3-CD 4.23Å; W250-K254 HydrophobicContact CE3-CG 4.11Å; W250-K254 HydrophobicContact CH2-CD 3.33Å; W250-K254 HydrophobicContact CH2-CG 4.03Å; W250-K254 HydrophobicContact CZ2-CD 3.34Å; W250-K254 HydrophobicContact CZ2-CG 4.24Å; W250-K254 HydrophobicContact CZ3-CD 3.77Å; W250-K254 HydrophobicContact CZ3-CG 3.93Å; W250-K254 PolarHBondContact O-N 2.65Å; G251-K254 CarbonylContact O-C 3.4Å; G251-K254 PolarHBondContact O-N 2.9Å; K252-K254 PolarHBondContact O-N 3.47Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 3Å
255N92.3Very high94.4Very high144 Ų14466.7 Ų66.777%0.7733%0.332SS*.THydrogen-bonded Turntrans48.246.1-173.2-159.353000113.4G251 K252G251-N255 CarbonylContact O-C 3.56Å; G251-N255 WeakPolarHBondContact O-CA 3.45Å; G251-N255 PolarHBondContact O-N 2.91Å; K252-N255 PolarHBondContact O-N 3.47Å
256K92.9Very high94.5Very high127 Ų12771.8 Ų71.855%0.55235%0.347SS*.  trans-120.691.2174.7-69.9-57.8-174.2-1760109.1G251 K254 D258 M259G251-K256 CarbonylContact C-O 3.44Å; G251-K256 WeakPolarHBondContact CA-O 3.48Å; G251-K256 PolarHBondContact O-N 3.39Å; K254-K256 VanDerWaalsContact C-N 3.26Å; K254-K256 PolarHBondContact O-N 3Å; K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 2.63Å; K256-M259 HydrophobicContact CB-CB 4.46Å; K256-M259 HydrophobicContact CB-CE 4.16Å; K256-M259 VanDerWaalsContact O-CB 3.31Å; K256-M259 WeakPolarHBondContact O-CB 3.4Å; K256-M259 PolarHBondContact O-N 2.75Å
257P90.3Very high94.5Very high107 Ų10773.2 Ų73.270%0.69536%0.359SS*.THydrogen-bonded Turntrans-63-34.5-17524.6-32.4000112.4M259P257-M259 PolarHBondContact O-N 2.83Å; P257-M259 VanDerWaalsContact O-N 3.08Å
258D93.1Very high94.5Very high132 Ų13273.2 Ų73.271%0.70636%0.359SS*.THydrogen-bonded Turntrans-779.8-177.5-36.6-75.1000113.8K256 N260K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 2.63Å; D258-N260 PolarHBondContact O-N 2.89Å; D258-N260 VanDerWaalsContact O-N 3.15Å; D258-N260 PolarHBondContact O-ND2 2.08Å
259M96.3Very high94.6Very high28 Ų2871.7 Ų71.714%0.13835%0.349CS..  trans-68.2112.2-179.3-172.962.66600111.1S247 W250 K256 P257 T263 M264S247-M259 CarbonylContact C-O 3.59Å; S247-M259 WeakPolarHBondContact O-CG 3.49Å; W250-M259 HydrophobicContact CB-CG 4.47Å; W250-M259 HydrophobicContact CG-CG 4.35Å; K256-M259 HydrophobicContact CB-CB 4.46Å; K256-M259 HydrophobicContact CB-CE 4.16Å; K256-M259 VanDerWaalsContact O-CB 3.31Å; K256-M259 WeakPolarHBondContact O-CB 3.4Å; K256-M259 PolarHBondContact O-N 2.75Å; P257-M259 PolarHBondContact O-N 2.83Å; P257-M259 VanDerWaalsContact O-N 3.08Å; M259-T263 HydrophobicContact SD-CG2 4.09Å; M259-M264 HydrophobicContact SD-CB 4.21Å
260N96.9Very high94.7Very high69 Ų6976.1 Ų76.137%0.36936%0.363SS..  trans-119.6169.3178.865.272.7000111D258 E262 T263 M264D258-N260 PolarHBondContact O-N 2.89Å; D258-N260 VanDerWaalsContact O-N 3.15Å; D258-N260 PolarHBondContact O-ND2 2.08Å; N260-E262 VanDerWaalsContact C-N 3.31Å; N260-E262 PolarHBondContact O-N 2.64Å; N260-E262 WeakPolarHBondContact OD1-CA 3.41Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 3.32Å; N260-T263 PolarHBondContact ND2-OG1 3.15Å; N260-T263 VanDerWaalsContact ND2-OG1 3.16Å; N260-T263 PolarHBondContact O-N 3.44Å; N260-T263 PolarHBondContact OD1-N 2.94Å; N260-T263 PolarHBondContact OD1-OG1 2.91Å; N260-M264 WeakPolarHBondContact O-CB 3.2Å; N260-M264 PolarHBondContact O-N 2.95Å
261Y96.9Very high94.7Very high56 Ų5676.1 Ų76.122%0.2236%0.363CS..Hα-helixtrans-66.3-28.6-177174-100.4000113.5S247 M264 G265 L268 L285 Y287S247-Y261 WeakPolarHBondContact OG-CA 3.22Å; S247-Y261 WeakPolarHBondContact OG-CB 3.31Å; S247-Y261 PolarHBondContact OG-N 3.21Å; S247-Y261 VanDerWaalsContact OG-N 3.15Å; Y261-M264 HydrophobicContact CD2-CE 3.96Å; Y261-G265 VanDerWaalsContact O-CA 3.29Å; Y261-G265 WeakPolarHBondContact O-CA 3.47Å; Y261-G265 PolarHBondContact O-N 2.74Å; Y261-L268 HydrophobicContact CE2-CD1 4.33Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.75Å; Y261-L285 WeakPolarHBondContact OH-CD2 3.38Å; Y261-Y287 PolarHBondContact OH-OH 3.01Å
262E95.9Very high94.8Very high87 Ų8779 Ų7941%0.40737%0.374SS..Hα-helixtrans-70.3-37176.8-82.1-56.1117.900112.5N260 R266 R269N260-E262 VanDerWaalsContact C-N 3.31Å; N260-E262 PolarHBondContact O-N 2.64Å; N260-E262 WeakPolarHBondContact OD1-CA 3.41Å; N260-E262 WeakPolarHBondContact OD1-CB 3.47Å; N260-E262 PolarHBondContact OD1-N 3.32Å; E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-NE 3.49Å; E262-R266 IonicContact OE2-CZ 3.94Å; E262-R266 IonicContact OE2-NE 3.97Å; E262-R266 IonicContact OE2-NH2 3.03Å; E262-R266 PolarHBondContact OE2-NH2 2.97Å; E262-R269 IonicContact OE1-NH2 3.62Å; E262-R269 IonicContact OE2-NH2 2.64Å
263T95.6Very high94.8Very high76 Ų7679.3 Ų79.347%0.46638%0.378SS..Hα-helixtrans-71.2-50.3173.1-54.80000111.3M259 N260 G265 R266M259-T263 HydrophobicContact SD-CG2 4.09Å; N260-T263 PolarHBondContact ND2-OG1 3.15Å; N260-T263 VanDerWaalsContact ND2-OG1 3.16Å; N260-T263 PolarHBondContact O-N 3.44Å; N260-T263 PolarHBondContact OD1-N 2.94Å; N260-T263 PolarHBondContact OD1-OG1 2.91Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.37Å; T263-R266 WeakPolarHBondContact O-CB 3.15Å; T263-R266 PolarHBondContact O-N 2.94Å; T263-R266 VanDerWaalsContact O-N 3.14Å
264M96.1Very high94.9Very high2 Ų283.1 Ų83.11%0.0139%0.389CS..Hα-helixtrans-61-37.6177.2-172-178.674.700111.7L210 L240 V246 S247 W250 M259 N260 Y261 R266 A267 L268L210-M264 HydrophobicContact CD1-CG 3.75Å; L210-M264 HydrophobicContact CD1-SD 3.72Å; L210-M264 HydrophobicContact CD2-CG 3.47Å; L210-M264 VanDerWaalsContact CD2-CG 3.47Å; L210-M264 HydrophobicContact CD2-SD 4.4Å; L210-M264 HydrophobicContact CG-CG 4.28Å; L240-M264 HydrophobicContact CD2-CE 3.82Å; V246-M264 HydrophobicContact CG1-CE 3.95Å; V246-M264 HydrophobicContact CG1-SD 4.17Å; S247-M264 WeakPolarHBondContact OG-CE 3.47Å; W250-M264 HydrophobicContact CB-SD 4.13Å; W250-M264 HydrophobicContact CG-SD 4.26Å; M259-M264 HydrophobicContact SD-CB 4.21Å; N260-M264 WeakPolarHBondContact O-CB 3.2Å; N260-M264 PolarHBondContact O-N 2.95Å; Y261-M264 HydrophobicContact CD2-CE 3.96Å; M264-R266 PolarHBondContact O-N 2.86Å; M264-A267 WeakPolarHBondContact O-CB 3.42Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-L268 PolarHBondContact O-N 3.42Å
265G96.4Very high95Very high1 Ų180.9 Ų80.91%0.0139%0.388CS..Hα-helixtrans-63.7-20.8176.900000114.2Y261 T263 R269Y261-G265 VanDerWaalsContact O-CA 3.29Å; Y261-G265 WeakPolarHBondContact O-CA 3.47Å; Y261-G265 PolarHBondContact O-N 2.74Å; T263-G265 VanDerWaalsContact C-N 3.27Å; T263-G265 PolarHBondContact O-N 3.37Å; G265-R269 VanDerWaalsContact O-CG 3.25Å; G265-R269 WeakPolarHBondContact O-CG 3.47Å; G265-R269 PolarHBondContact O-N 3.02Å
266R96.4Very high95.1Very high126 Ų12675.9 Ų75.948%0.47536%0.361SS..Hα-helixtrans-67.5-42.5169.7-50.1-52.7158.8113.6-11.6110.9E262 T263 M264 R269 Y270E262-R266 WeakPolarHBondContact O-CG 3.33Å; E262-R266 PolarHBondContact O-NE 3.49Å; E262-R266 IonicContact OE2-CZ 3.94Å; E262-R266 IonicContact OE2-NE 3.97Å; E262-R266 IonicContact OE2-NH2 3.03Å; E262-R266 PolarHBondContact OE2-NH2 2.97Å; T263-R266 WeakPolarHBondContact O-CB 3.15Å; T263-R266 PolarHBondContact O-N 2.94Å; T263-R266 VanDerWaalsContact O-N 3.14Å; M264-R266 PolarHBondContact O-N 2.86Å; R266-R269 PolarHBondContact O-N 3.32Å; R266-Y270 HydrophobicContact CB-CE2 4.29Å; R266-Y270 WeakPolarHBondContact O-CD2 3.49Å; R266-Y270 PolarHBondContact O-N 2.81Å
267A95.6Very high95.2Very high29 Ų2969.9 Ų69.924%0.2434%0.335CS..Hα-helixtrans-63.3-41.2175.300000111.9L210 M264 R269 Y270 Y271L210-A267 HydrophobicContact CD2-CB 3.69Å; M264-A267 WeakPolarHBondContact O-CB 3.42Å; M264-A267 PolarHBondContact O-N 2.86Å; A267-R269 PolarHBondContact O-N 3.03Å; A267-Y270 PolarHBondContact O-N 2.93Å; A267-Y271 HydrophobicContact CB-CE2 4.44Å; A267-Y271 VanDerWaalsContact O-CD2 3.25Å; A267-Y271 WeakPolarHBondContact O-CD2 3.29Å; A267-Y271 VanDerWaalsContact O-CG 3.31Å; A267-Y271 PolarHBondContact O-N 3.25Å
268L96.4Very high95.5Very high0 Ų065.9 Ų65.90%031%0.311CS..Hα-helixtrans-57.8-46.9171.7-65.1177.5000112L210 L214 Y261 M264 Y270 Y271 Y272 L277 Y287L210-L268 HydrophobicContact CD2-CD2 3.93Å; L210-L268 HydrophobicContact CD2-CG 4.02Å; L214-L268 HydrophobicContact CD1-CD2 3.75Å; Y261-L268 HydrophobicContact CE2-CD1 4.33Å; M264-L268 PolarHBondContact O-N 3.42Å; L268-Y270 PolarHBondContact O-N 3.42Å; L268-Y271 HydrophobicContact CD2-CD2 4.45Å; L268-Y271 WeakPolarHBondContact O-CB 3.25Å; L268-Y271 PolarHBondContact O-N 3.35Å; L268-Y272 VanDerWaalsContact O-CD1 3.29Å; L268-Y272 WeakPolarHBondContact O-CD1 3.43Å; L268-Y272 VanDerWaalsContact O-CE1 3.23Å; L268-Y272 WeakPolarHBondContact O-CE1 3.03Å; L268-Y272 PolarHBondContact O-N 3.23Å; L268-L277 HydrophobicContact CD2-CD1 3.67Å; L268-Y287 HydrophobicContact CD1-CE2 3.92Å
269R95.8Very high95.6Very high123 Ų12364.1 Ų64.146%0.46430%0.298SS..Hα-helixtrans-60.7-40.4176.7-68.8170.7-155.4-176.510.9112.4E262 G265 R266 A267 Y271 Y272E262-R269 IonicContact OE1-NH2 3.62Å; E262-R269 IonicContact OE2-NH2 2.64Å; G265-R269 VanDerWaalsContact O-CG 3.25Å; G265-R269 WeakPolarHBondContact O-CG 3.47Å; G265-R269 PolarHBondContact O-N 3.02Å; R266-R269 PolarHBondContact O-N 3.32Å; A267-R269 PolarHBondContact O-N 3.03Å; R269-Y271 VanDerWaalsContact C-N 3.29Å; R269-Y271 PolarHBondContact O-N 3.05Å; R269-Y272 HydrophobicContact CB-CD2 4.49Å; R269-Y272 HydrophobicContact CB-CE2 4.27Å; R269-Y272 HydrophobicContact CG-CE2 3.95Å; R269-Y272 PolarHBondContact O-N 3.27Å
270Y96.5Very high95.6Very high152 Ų15264.1 Ų64.160%0.59630%0.299SS*.Hα-helixtrans-64.2-30.9173.5-68.9-56.5000113R266 A267 L268 Y272 Q273 R274R266-Y270 HydrophobicContact CB-CE2 4.29Å; R266-Y270 WeakPolarHBondContact O-CD2 3.49Å; R266-Y270 PolarHBondContact O-N 2.81Å; A267-Y270 PolarHBondContact O-N 2.93Å; L268-Y270 PolarHBondContact O-N 3.42Å; Y270-Y272 VanDerWaalsContact C-N 3.3Å; Y270-Y272 PolarHBondContact O-N 3.06Å; Y270-Q273 PolarHBondContact O-N 3.45Å; Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 WeakPolarHBondContact O-CG 3.25Å; Y270-R274 PolarHBondContact O-N 3.41Å
271Y95.9Very high95.4Very high15 Ų1567.7 Ų67.76%0.05931%0.313CS..Hα-helixtrans-70.6-21.9176.3-62.6-36.7000114L210 W211 A267 L268 R269 G275 I276 L277L210-Y271 HydrophobicContact CB-CE2 3.89Å; L210-Y271 HydrophobicContact CD2-CE2 4.23Å; L210-Y271 HydrophobicContact CG-CE2 4.24Å; L210-Y271 PolarHBondContact N-OH 3.48Å; L210-Y271 VanDerWaalsContact N-OH 3.13Å; W211-Y271 HydrophobicContact CB-CD2 4.23Å; W211-Y271 HydrophobicContact CB-CE2 3.87Å; W211-Y271 AromaticContact CD1-CE1 3.85Å; W211-Y271 AromaticContact CD1-CZ 3.72Å; A267-Y271 HydrophobicContact CB-CE2 4.44Å; A267-Y271 VanDerWaalsContact O-CD2 3.25Å; A267-Y271 WeakPolarHBondContact O-CD2 3.29Å; A267-Y271 VanDerWaalsContact O-CG 3.31Å; A267-Y271 PolarHBondContact O-N 3.25Å; L268-Y271 HydrophobicContact CD2-CD2 4.45Å; L268-Y271 WeakPolarHBondContact O-CB 3.25Å; L268-Y271 PolarHBondContact O-N 3.35Å; R269-Y271 VanDerWaalsContact C-N 3.29Å; R269-Y271 PolarHBondContact O-N 3.05Å; Y271-G275 PolarHBondContact O-N 3.24Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.41Å; Y271-I276 PolarHBondContact O-N 3.42Å; Y271-L277 HydrophobicContact CD2-CD1 3.89Å; Y271-L277 HydrophobicContact CD2-CG 4.43Å; Y271-L277 HydrophobicContact CG-CD1 4.39Å; Y271-L277 PolarHBondContact O-N 3.06Å; Y271-L277 VanDerWaalsContact O-N 3.1Å
272Y94.9Very high95.2Very high61 Ų6169.1 Ų69.124%0.23935%0.345CS..Hα-helixtrans-66.4-51.3171.7-47.1-25.7000111.1L268 R269 Y270 R274 G275 L277 K279 Y287L268-Y272 VanDerWaalsContact O-CD1 3.29Å; L268-Y272 WeakPolarHBondContact O-CD1 3.43Å; L268-Y272 VanDerWaalsContact O-CE1 3.23Å; L268-Y272 WeakPolarHBondContact O-CE1 3.03Å; L268-Y272 PolarHBondContact O-N 3.23Å; R269-Y272 HydrophobicContact CB-CD2 4.49Å; R269-Y272 HydrophobicContact CB-CE2 4.27Å; R269-Y272 HydrophobicContact CG-CE2 3.95Å; R269-Y272 PolarHBondContact O-N 3.27Å; Y270-Y272 VanDerWaalsContact C-N 3.3Å; Y270-Y272 PolarHBondContact O-N 3.06Å; Y272-R274 VanDerWaalsContact C-N 3.32Å; Y272-R274 PolarHBondContact O-N 3.25Å; Y272-G275 PolarHBondContact O-N 3.38Å; Y272-L277 WeakPolarHBondContact CA-O 3.29Å; Y272-L277 HydrophobicContact CD1-CB 4.13Å; Y272-L277 HydrophobicContact CE1-CB 4.41Å; Y272-K279 HydrophobicContact CD1-CB 4.42Å; Y272-K279 HydrophobicContact CD2-CB 4.33Å; Y272-K279 HydrophobicContact CE1-CB 4.09Å; Y272-K279 HydrophobicContact CE2-CB 3.99Å; Y272-Y287 HydrophobicContact CE1-CD1 4.04Å; Y272-Y287 HydrophobicContact CE1-CE1 4.36Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.47Å
273Q93.8Very high95.1Very high177 Ų17769.6 Ų69.683%0.82735%0.347SS*.Hα-helixtrans-66.8-34.2179.7-170-179.916.300112Y270 G275Y270-Q273 PolarHBondContact O-N 3.45Å; Q273-G275 PolarHBondContact O-N 3.05Å
274R93.5Very high95.1Very high154 Ų15476.8 Ų76.858%0.58137%0.366SS*.THydrogen-bonded Turntrans-74.3-5.3172.9-71.8-173.964.4-166.9-3.4114.3Y270 Y272 I276Y270-R274 WeakPolarHBondContact O-CB 3.41Å; Y270-R274 WeakPolarHBondContact O-CG 3.25Å; Y270-R274 PolarHBondContact O-N 3.41Å; Y272-R274 VanDerWaalsContact C-N 3.32Å; Y272-R274 PolarHBondContact O-N 3.25Å; R274-I276 HydrophobicContact CB-CD1 4.25Å; R274-I276 HydrophobicContact CB-CG1 4.27Å; R274-I276 PolarHBondContact O-N 3.47Å
275G94.4Very high95.1Very high32 Ų3278.7 Ų78.733%0.3338%0.376SS..THydrogen-bonded Turntrans65.621.5-179.300000115Y271 Y272 Q273 K290Y271-G275 PolarHBondContact O-N 3.24Å; Y272-G275 PolarHBondContact O-N 3.38Å; Q273-G275 PolarHBondContact O-N 3.05Å; G275-K290 VanDerWaalsContact O-CB 3.31Å; G275-K290 WeakPolarHBondContact O-CB 3.42Å; G275-K290 WeakPolarHBondContact O-CD 3.39Å
276I93.7Very high95.1Very high40 Ų4078.7 Ų78.721%0.20538%0.376CS..SBendtrans-86.9-41.1175.4-63172.9000109.6W211 Y271 R274 K290W211-I276 HydrophobicContact CB-CG2 4.17Å; W211-I276 HydrophobicContact CD2-CG2 4.25Å; W211-I276 HydrophobicContact CG-CG2 3.97Å; Y271-I276 HydrophobicContact CD1-CB 4.45Å; Y271-I276 HydrophobicContact CD1-CD1 4.01Å; Y271-I276 HydrophobicContact CE1-CD1 4.41Å; Y271-I276 PolarHBondContact O-N 3.42Å; R274-I276 HydrophobicContact CB-CD1 4.25Å; R274-I276 HydrophobicContact CB-CG1 4.27Å; R274-I276 PolarHBondContact O-N 3.47Å; I276-K290 PolarHBondContact O-N 3.38Å
277L95.6Very high95.1Very high0 Ų073.1 Ų73.10%036%0.355CS..EExtended strand (participates in β ladder)trans-116161172.6-65.3179.9000110.6F238 L268 Y271 Y272 Q288 F289 K290F238-L277 HydrophobicContact CE1-CD2 3.84Å; F238-L277 HydrophobicContact CZ-CD1 4.44Å; F238-L277 HydrophobicContact CZ-CD2 4.02Å; L268-L277 HydrophobicContact CD2-CD1 3.67Å; Y271-L277 HydrophobicContact CD2-CD1 3.89Å; Y271-L277 HydrophobicContact CD2-CG 4.43Å; Y271-L277 HydrophobicContact CG-CD1 4.39Å; Y271-L277 PolarHBondContact O-N 3.06Å; Y271-L277 VanDerWaalsContact O-N 3.1Å; Y272-L277 WeakPolarHBondContact CA-O 3.29Å; Y272-L277 HydrophobicContact CD1-CB 4.13Å; Y272-L277 HydrophobicContact CE1-CB 4.41Å; L277-Q288 CarbonylContact C-O 3.58Å; L277-Q288 WeakPolarHBondContact CA-O 3.4Å; L277-F289 HydrophobicContact CD2-CD1 3.56Å; L277-F289 HydrophobicContact CD2-CE1 3.78Å; L277-F289 HydrophobicContact CD2-CG 3.98Å; L277-F289 HydrophobicContact CD2-CZ 4.38Å; L277-K290 WeakPolarHBondContact O-CE 3.47Å
278A96Very high95.1Very high24 Ų2474.9 Ų74.920%0.19836%0.358CS..EExtended strand (participates in β ladder)trans-118.3147.6156.700000109.4Y287 Q288 K290A278-Y287 WeakPolarHBondContact O-CA 3.32Å; A278-Q288 HydrophobicContact CB-CB 4.35Å; A278-Q288 PolarHBondContact N-O 3Å; A278-Q288 PolarHBondContact O-N 3.37Å; A278-K290 HydrophobicContact CB-CG 4.25Å
279K95.2Very high95Very high95 Ų9575.2 Ų75.241%0.41336%0.359SS..EExtended strand (participates in β ladder)trans-79128.3165.5169-177.7166.4-67.50107.4Y272 E281Y272-K279 HydrophobicContact CD1-CB 4.42Å; Y272-K279 HydrophobicContact CD2-CB 4.33Å; Y272-K279 HydrophobicContact CE1-CB 4.09Å; Y272-K279 HydrophobicContact CE2-CB 3.99Å; K279-E281 IonicContact NZ-OE1 3.53Å; K279-E281 PolarHBondContact NZ-OE1 3.4Å; K279-E281 IonicContact NZ-OE2 2.6Å; K279-E281 PolarHBondContact NZ-OE2 3.46Å; K279-E281 PolarHBondContact O-N 3.46Å
280V95.3Very high94.7Very high28 Ų2875.5 Ų75.517%0.1736%0.364CS..PPolyproline II helixtrans-75.5124.7167.91790000107.8I237 Q283 V286 Q288I237-V280 HydrophobicContact CG2-CG2 4.1Å; V280-Q283 HydrophobicContact CG1-CB 4.16Å; V280-Q283 HydrophobicContact CG1-CG 4.26Å; V280-V286 HydrophobicContact CB-CB 4.18Å; V280-V286 HydrophobicContact CB-CG1 3.91Å; V280-V286 HydrophobicContact CG1-CG1 4.3Å; V280-V286 HydrophobicContact CG2-CG1 3.8Å; V280-V286 PolarHBondContact N-O 3.05Å; V280-Q288 HydrophobicContact CG2-CB 4.32Å
281E93.2Very high94.2Very high144 Ų14474.3 Ų74.367%0.67337%0.368SS*.SBendtrans-69.8153.9176.8-64-71.9121.100110.3K279 Q283K279-E281 IonicContact NZ-OE1 3.53Å; K279-E281 PolarHBondContact NZ-OE1 3.4Å; K279-E281 IonicContact NZ-OE2 2.6Å; K279-E281 PolarHBondContact NZ-OE2 3.46Å; K279-E281 PolarHBondContact O-N 3.46Å; E281-Q283 PolarHBondContact O-N 3.47Å
282G93.3Very high93.5Very high86 Ų8675.9 Ų75.989%0.88738%0.377SS*.SBendtrans69.4-34.5-173.500000116.3
283Q94Very high92.5Very high97 Ų9773.9 Ų73.945%0.45337%0.371SS..  trans-98.9121-172.4-60-162.338.700113.8V280 E281 V286V280-Q283 HydrophobicContact CG1-CB 4.16Å; V280-Q283 HydrophobicContact CG1-CG 4.26Å; E281-Q283 PolarHBondContact O-N 3.47Å; Q283-V286 HydrophobicContact CB-CB 3.8Å; Q283-V286 HydrophobicContact CB-CG1 4.49Å; Q283-V286 HydrophobicContact CB-CG2 3.72Å
284R95.1Very high90.9Very high226 Ų22675.2 Ų75.285%0.85337%0.374SS*.THydrogen-bonded Turntrans-74.4138.3174.5-63.9-174.3-178.8-165.21.1111.2V286R284-V286 PolarHBondContact O-N 3.13Å
285L95.8Very high89.3Confident43 Ų4372.1 Ų72.123%0.22537%0.369CS..THydrogen-bonded Turntrans62.817.6179.6-55178.2000115.2K239 L240 Y261K239-L285 WeakPolarHBondContact CA-O 3.46Å; L240-L285 HydrophobicContact CB-CB 4.19Å; L240-L285 PolarHBondContact N-O 2.94Å; L240-L285 WeakPolarHBondContact O-CB 3.31Å; Y261-L285 HydrophobicContact CE1-CD2 4.19Å; Y261-L285 HydrophobicContact CE2-CD2 3.75Å; Y261-L285 WeakPolarHBondContact OH-CD2 3.38Å
286V96.2Very high88Confident1 Ų172.3 Ų72.31%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-109.7131.9178.2-174.70000110.4I237 F238 K239 V280 Q283 R284I237-V286 HydrophobicContact CG2-CG1 3.57Å; F238-V286 WeakPolarHBondContact O-CA 3.45Å; K239-V286 HydrophobicContact CB-CG2 3.96Å; K239-V286 HydrophobicContact CD-CG2 3.77Å; K239-V286 HydrophobicContact CG-CG2 3.74Å; V280-V286 HydrophobicContact CB-CB 4.18Å; V280-V286 HydrophobicContact CB-CG1 3.91Å; V280-V286 HydrophobicContact CG1-CG1 4.3Å; V280-V286 HydrophobicContact CG2-CG1 3.8Å; V280-V286 PolarHBondContact N-O 3.05Å; Q283-V286 HydrophobicContact CB-CB 3.8Å; Q283-V286 HydrophobicContact CB-CG1 4.49Å; Q283-V286 HydrophobicContact CB-CG2 3.72Å; R284-V286 PolarHBondContact O-N 3.13Å
287Y96.4Very high86.6Confident9 Ų974.8 Ų74.84%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-137.3158.4-176-50.6-67.4000110.1I237 F238 L240 Y261 L268 Y272 A278I237-Y287 CarbonylContact C-O 3.58Å; I237-Y287 WeakPolarHBondContact CA-O 3.19Å; F238-Y287 WeakPolarHBondContact CD1-O 3.36Å; F238-Y287 AromaticContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CD2 3.85Å; F238-Y287 HydrophobicContact CE2-CG 4.4Å; F238-Y287 HydrophobicContact CZ-CD2 4.22Å; F238-Y287 HydrophobicContact CZ-CG 4.34Å; F238-Y287 PolarHBondContact N-O 2.95Å; F238-Y287 PolarHBondContact O-N 3.19Å; L240-Y287 HydrophobicContact CD1-CD2 3.96Å; L240-Y287 HydrophobicContact CD1-CE2 3.96Å; Y261-Y287 PolarHBondContact OH-OH 3.01Å; L268-Y287 HydrophobicContact CD1-CE2 3.92Å; Y272-Y287 HydrophobicContact CE1-CD1 4.04Å; Y272-Y287 HydrophobicContact CE1-CE1 4.36Å; Y272-Y287 WeakPolarHBondContact OH-CE1 3.47Å; A278-Y287 WeakPolarHBondContact O-CA 3.32Å
288Q95.6Very high84.8Confident65 Ų6580 Ų8030%0.30441%0.41SS..EExtended strand (participates in β ladder)trans-125.6134.2178.2-175.1175.119.100109.5K235 G236 I237 L277 A278 V280K235-Q288 VanDerWaalsContact O-CG 3.29Å; K235-Q288 WeakPolarHBondContact O-CG 3.37Å; K235-Q288 PolarHBondContact O-NE2 2.84Å; G236-Q288 WeakPolarHBondContact O-CA 3.45Å; I237-Q288 HydrophobicContact CG1-CB 4.03Å; I237-Q288 HydrophobicContact CG1-CG 3.73Å; L277-Q288 CarbonylContact C-O 3.58Å; L277-Q288 WeakPolarHBondContact CA-O 3.4Å; A278-Q288 HydrophobicContact CB-CB 4.35Å; A278-Q288 PolarHBondContact N-O 3Å; A278-Q288 PolarHBondContact O-N 3.37Å; V280-Q288 HydrophobicContact CG2-CB 4.32Å
289F94.9Very high83Confident7 Ų779.6 Ų79.63%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-72126.5164.2-72.1-80.3000109.3W211 L215 L218 W230 G236 F238 L277W211-F289 HydrophobicContact CB-CE1 4.39Å; W211-F289 HydrophobicContact CE3-CE1 4.36Å; L215-F289 HydrophobicContact CB-CZ 4.23Å; L215-F289 HydrophobicContact CD1-CE2 4.22Å; L215-F289 HydrophobicContact CD1-CZ 4.22Å; L218-F289 HydrophobicContact CD1-CE2 4.2Å; W230-F289 AromaticContact CH2-CD2 3.92Å; W230-F289 HydrophobicContact CH2-CD2 3.92Å; W230-F289 AromaticContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CH2-CE2 3.8Å; W230-F289 HydrophobicContact CZ3-CD2 4.06Å; W230-F289 HydrophobicContact CZ3-CE2 4.23Å; G236-F289 PolarHBondContact O-N 2.92Å; F238-F289 AromaticContact CD1-CD2 3.66Å; F238-F289 HydrophobicContact CD1-CD2 3.66Å; F238-F289 AromaticContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CE2 3.48Å; F238-F289 VanDerWaalsContact CD1-CE2 3.48Å; F238-F289 HydrophobicContact CD1-CZ 4.42Å; F238-F289 AromaticContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CD2 3.49Å; F238-F289 VanDerWaalsContact CE1-CD2 3.49Å; F238-F289 HydrophobicContact CE1-CE1 4.48Å; F238-F289 AromaticContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CE2 3.23Å; F238-F289 HydrophobicContact CE1-CG 4.23Å; F238-F289 AromaticContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CE1-CZ 3.79Å; F238-F289 HydrophobicContact CG-CE2 4.46Å; F238-F289 HydrophobicContact CZ-CE2 4.06Å; F238-F289 HydrophobicContact CZ-CZ 4.23Å; L277-F289 HydrophobicContact CD2-CD1 3.56Å; L277-F289 HydrophobicContact CD2-CE1 3.78Å; L277-F289 HydrophobicContact CD2-CG 3.98Å; L277-F289 HydrophobicContact CD2-CZ 4.38Å
290K89.5Confident81Confident130 Ų13080.6 Ų80.657%0.56542%0.415SS*.SBendtrans-74.6-33.6-179.6-69.9-152.1-173.7-177.10113.1G275 I276 L277 A278G275-K290 VanDerWaalsContact O-CB 3.31Å; G275-K290 WeakPolarHBondContact O-CB 3.42Å; G275-K290 WeakPolarHBondContact O-CD 3.39Å; I276-K290 PolarHBondContact O-N 3.38Å; L277-K290 WeakPolarHBondContact O-CE 3.47Å; A278-K290 HydrophobicContact CB-CG 4.25Å
291D86.2Confident79.3Confident126 Ų12685.5 Ų85.567%0.67444%0.44SS*.SBendtrans-117.7129.6166.7-179.722.1000106.5P293D291-P293 WeakPolarHBondContact O-CD 3.44Å
292M81.3Confident77.3Confident49 Ų4985.8 Ų85.824%0.24145%0.446CS..  trans-88.2114-172.5-174.460.5176.500109.4W230 R233 G236 K294 I296W230-M292 HydrophobicContact CH2-CE 3.7Å; W230-M292 HydrophobicContact CH2-SD 4.28Å; W230-M292 HydrophobicContact CZ2-CE 4.22Å; W230-M292 HydrophobicContact CZ3-CE 3.98Å; W230-M292 HydrophobicContact CZ3-SD 4.43Å; R233-M292 WeakPolarHBondContact O-CE 3.23Å; G236-M292 VanDerWaalsContact CA-SD 3.52Å; M292-K294 PolarHBondContact O-N 3.39Å; M292-K294 VanDerWaalsContact O-N 3.14Å; M292-I296 HydrophobicContact CE-CB 4.47Å; M292-I296 HydrophobicContact CE-CD1 3.55Å; M292-I296 HydrophobicContact CE-CG2 4.15Å
293P72.9Confident75.2Confident18 Ų1888.9 Ų88.912%0.11744%0.435CS..  trans-62120.8-173.5-25.637.4000111.9W211 L215 D291 N295 I296W211-P293 HydrophobicContact CZ3-CG 4.32Å; L215-P293 HydrophobicContact CD1-CB 4.34Å; L215-P293 HydrophobicContact CD1-CG 4.08Å; L215-P293 HydrophobicContact CD2-CB 3.6Å; L215-P293 HydrophobicContact CD2-CG 3.84Å; D291-P293 WeakPolarHBondContact O-CD 3.44Å; P293-N295 WeakPolarHBondContact CB-OD1 3.48Å; P293-N295 PolarHBondContact O-N 3.05Å; P293-I296 PolarHBondContact O-N 3.15Å
294K61.8Low72.8Confident205 Ų20589.7 Ų89.789%0.89145%0.451SS*.THydrogen-bonded Turntrans-65.3-4.2-172-58-177.2-177.2-178.50114.7M292M292-K294 PolarHBondContact O-N 3.39Å; M292-K294 VanDerWaalsContact O-N 3.14Å
295N59.8Low70.2Confident89 Ų8985.5 Ų85.548%0.47644%0.442SS..THydrogen-bonded Turntrans-93.37.7178.968.2-89.8000114Q219 P293 V297Q219-N295 PolarHBondContact OE1-O 3.29Å; P293-N295 WeakPolarHBondContact CB-OD1 3.48Å; P293-N295 PolarHBondContact O-N 3.05Å; N295-V297 PolarHBondContact O-N 3.23Å; N295-V297 VanDerWaalsContact O-N 3.1Å
296I67.6Low67.5Low37 Ų3789.3 Ų89.319%0.1947%0.467CS..  trans-63113.2175.9-172169.9000110.2W230 R233 M292 P293 V298W230-I296 HydrophobicContact CH2-CD1 4.25Å; W230-I296 HydrophobicContact CZ2-CD1 3.5Å; R233-I296 HydrophobicContact CG-CD1 4.06Å; M292-I296 HydrophobicContact CE-CB 4.47Å; M292-I296 HydrophobicContact CE-CD1 3.55Å; M292-I296 HydrophobicContact CE-CG2 4.15Å; P293-I296 PolarHBondContact O-N 3.15Å; I296-V298 PolarHBondContact O-N 3.29Å
297V63Low64.5Low92 Ų9295.3 Ų95.356%0.55851%0.507SS*.  trans-63.8120.3169.9-179.60000107.9N295 I299N295-V297 PolarHBondContact O-N 3.23Å; N295-V297 VanDerWaalsContact O-N 3.1Å; V297-I299 HydrophobicContact CG1-CG1 4.29Å; V297-I299 PolarHBondContact O-N 3.17Å; V297-I299 VanDerWaalsContact O-N 3.1Å
298V57.2Low61.6Low108 Ų108101.5 Ų101.566%0.65554%0.541SS*.  trans-66.4114.9174.8179.40000108.1I296I296-V298 PolarHBondContact O-N 3.29Å
299I59.2Low59.3Low16 Ų16108 Ų1088%0.08257%0.571CS.*  trans-11098178.7-74164.3000105.6Q219 K221 R233 V297 D301Q219-I299 WeakPolarHBondContact O-CD1 3.34Å; K221-I299 HydrophobicContact CD-CG2 3.85Å; K221-I299 HydrophobicContact CG-CD1 3.85Å; K221-I299 HydrophobicContact CG-CG1 4.18Å; K221-I299 HydrophobicContact CG-CG2 3.79Å; R233-I299 PolarHBondContact NH1-O 3.46Å; R233-I299 PolarHBondContact NH2-O 3.45Å; V297-I299 HydrophobicContact CG1-CG1 4.29Å; V297-I299 PolarHBondContact O-N 3.17Å; V297-I299 VanDerWaalsContact O-N 3.1Å; I299-D301 PolarHBondContact O-N 3.08Å
300D53.9Low56.5Low116 Ų116114.8 Ų114.862%0.6261%0.608SS**  trans-60.4132.8163.7-92.1-130.4000109K221K221-D300 PolarHBondContact NZ-O 3.47Å
301D58.3Low54.2Low131 Ų131116.7 Ų116.770%0.70162%0.623SS**  trans-102.5-0.6178.4-108.1-136.6000110.9I299 K303I299-D301 PolarHBondContact O-N 3.08Å; D301-K303 PolarHBondContact O-N 3.28Å
302D51.1Low51.9Low150 Ų150115.3 Ų115.380%0.80263%0.629SS**  trans-82.732.5-165.8-122.6-77.2000114.7
303K49.6Very low49.5Very low152 Ų152116.7 Ų116.766%0.66166%0.656SS**  trans-157.765.8173.3-136.3178.7-163.6-67.80114D301 E305D301-K303 PolarHBondContact O-N 3.28Å; K303-E305 HydrophobicContact CG-CG 3.99Å; K303-E305 IonicContact NZ-OE1 2.79Å; K303-E305 PolarHBondContact NZ-OE1 3.5Å; K303-E305 IonicContact NZ-OE2 3.34Å; K303-E305 PolarHBondContact NZ-OE2 3.35Å
304S42.9Very low47.7Very low113 Ų113119.9 Ų119.979%0.7968%0.684SS**  trans-107105.9154.160.50000108.2
305E40.8Very low46.4Very low139 Ų139116.5 Ų116.565%0.6568%0.681SS**  trans-84.2161.3-165.9-53.5-16596.500112.7K303 C307K303-E305 HydrophobicContact CG-CG 3.99Å; K303-E305 IonicContact NZ-OE1 2.79Å; K303-E305 PolarHBondContact NZ-OE1 3.5Å; K303-E305 IonicContact NZ-OE2 3.34Å; K303-E305 PolarHBondContact NZ-OE2 3.35Å; E305-C307 PolarHBondContact O-N 2.98Å; E305-C307 VanDerWaalsContact O-N 3.09Å
306T38.4Very low45.3Very low123 Ų123119.3 Ų119.376%0.75570%0.696SS**  trans-71.399.9-173.6-35.30000111.8N308T306-N308 PolarHBondContact O-N 2.95Å; T306-N308 VanDerWaalsContact O-N 3.12Å
307C33.4Very low43.9Very low127 Ų127123.7 Ų123.786%0.85872%0.715SS**  trans-82.179.7171.4-58.20000111.2E305E305-C307 PolarHBondContact O-N 2.98Å; E305-C307 VanDerWaalsContact O-N 3.09Å
308N35.9Very low42.6Very low138 Ų138127 Ų12774%0.73872%0.722SS**  trans-114.3117.2161.8-72.7-30.6000107.7T306T306-N308 PolarHBondContact O-N 2.95Å; T306-N308 VanDerWaalsContact O-N 3.12Å
309E46.7Very low41.5Very low202 Ų202127 Ų12794%0.94473%0.728SS**  trans-93139.9168.9-100.117581.800110
310D37.3Very low40.3Very low150 Ų150134.5 Ų134.580%0.80277%0.767SS**  trans-64.9153.5-175.2-60.2-112.4000114.5
311L41.3Very low39.1Very low169 Ų169135.8 Ų135.889%0.88577%0.769SS**  -166.3143.9110.3-104.8166000113.5
312A37.2Very low37.9Very low97 Ų97138.7 Ų138.780%0.80277%0.77SS**  trans6.4134.9165.200000119.1
313G31.4Very low36.9Very low78 Ų78137.5 Ų137.580%0.80477%0.768SS**  cis135167.931.700000107.4
314A34.5Very low35.9Very low85 Ų85135 Ų13570%0.70277%0.77SS**  cis-157.2168.1-2.200000108.7
315T35.6Very low35.1Very low135 Ų135137.9 Ų137.983%0.82878%0.775SS**  trans60.4145.4169.754.80000117
316D35.2Very low34.5Very low147 Ų147137.4 Ų137.479%0.78679%0.788SS**  cis-145.1-171.18.1-157.1-118.4000112.7
317E39.3Very low34.1Very low129 Ų129135.4 Ų135.460%0.60378%0.784SS**  trans-74.7125.7-172.3-143.8-102.2116.700112.9
318K35.3Very low34Very low161 Ų161138 Ų13870%0.778%0.783SS**  175.4156.2115.2-98.1176.1-178.261.50117.5
319S35.1Very low33.7Very low110 Ų110135.1 Ų135.177%0.76977%0.774SS**  trans67.6109.6152.7-630000119.9
320L32.9Very low33Very low173 Ų173132.8 Ų132.891%0.90677%0.767SS**  trans-66.2147.5157-58149.5000110.9
321E29.9Very low32.9Very low143 Ų143132.7 Ų132.767%0.66877%0.766SS**  -173.9114.5127-173.674-157.400112
322R32.9Very low32.4Very low191 Ų191133.2 Ų133.272%0.72176%0.761SS**  trans20.7126.8146.7-56.1-175.2-175.388.49.6122.7
323V29.2Very low32.1Very low125 Ų125131.9 Ų131.976%0.75875%0.75SS**  76.7102.8123.8177.30000120.3
324S27.7Very low32Very low100 Ų100132 Ų13270%0.69974%0.743SS**  66.5128.2129.2-60.80000123.9
325L27.4Very low31.8Very low173 Ų173133.8 Ų133.891%0.90675%0.751SS**  trans66.2101142.3-61.8169.7000119.6
326S27.8Very low31.5Very low130 Ų130132.6 Ų132.691%0.90975%0.748SS**  -163.2179.9108.1-158.90000110.3
327A29.6Very low31.3Very low81 Ų81131.2 Ų131.267%0.66974%0.744SS**  trans-117.2-176.3-179.600000112.4
328E31Very low31Very low181 Ų181136.1 Ų136.185%0.84676%0.757SS**  trans82143.7171.5-58.5-144.162.900116.6
329S30.7Very low30.8Very low78 Ų78133 Ų13355%0.54576%0.756SS.*  cis-160162.9-0.4-132.60000114.2
330L32Very low30.5Very low153 Ų153131.4 Ų131.480%0.80176%0.757SS**  trans65.3147.5154.7-59.9164.9000117.8
331L35.5Very low30.5Very low147 Ų147131.6 Ų131.677%0.7775%0.75SS**  cis-133.2-177-1.7-58.5167.3000108.4
332K30.3Very low30.4Very low180 Ų180130.8 Ų130.878%0.78375%0.75SS**  cis-152.9172.55-166.5132.7174.4172.30110.6
333A29.9Very low30.4Very low69 Ų69125 Ų12557%0.5774%0.739SS**  trans-31.4163166.200000118
334A30Very low31Very low80 Ų80123.2 Ų123.266%0.66173%0.733SS**  cis-160.3172.3-11.200000106.4
335S30.8Very low31.5Very low124 Ų124121.5 Ų121.587%0.86772%0.719SS**  cis-160.1-139.735.866.20000112.9
336S28.5Very low31.8Very low110 Ų110117.9 Ų117.977%0.76970%0.7SS**  trans-91.1-177.7-154.9-168.20000117
337V31.3Very low31.8Very low117 Ų117115.2 Ų115.271%0.70968%0.675SS**  trans96.388.6158.1-165.40000120.6
338R33.8Very low31.6Very low232 Ų232115 Ų11588%0.87567%0.668SS**  56.8115.2129.5-58179.9-178-147-0.5123.1
339S29.6Very low31.6Very low97 Ų97111.1 Ų111.168%0.67866%0.661SS**  67.381.1121.2-178.30000122.5
340G29.5Very low31.6Very low76 Ų76115.2 Ų115.278%0.78466%0.664SS**  75.6169.497.800000123.8
341K33.5Very low31.7Very low176 Ų176112.3 Ų112.377%0.76566%0.663SS**  trans86.196.6163.4-61.2175.9-171.1114.30120.8
342N28Very low31.4Very low126 Ų126112.5 Ų112.567%0.67466%0.659SS**  62107.4116.4-59.615.6000121.4
343S33.1Very low31.5Very low69 Ų69113 Ų11348%0.48366%0.661SS.*  83.6126118.672.20000121.8R226R226-S343 PolarHBondContact NE-OG 3.03Å; R226-S343 PolarHBondContact NH2-O 3.36Å; R226-S343 PolarHBondContact NH2-OG 3.08Å
344S40.8Very low31.3Very low89 Ų89113 Ų11362%0.62267%0.668SS**  trans-52.4172.8150.655.90000113.2R226R226-S344 WeakPolarHBondContact CD-O 3.31Å; R226-S344 PolarHBondContact NE-O 3.29Å; R226-S344 PolarHBondContact NH2-O 3.18Å; R226-S344 VanDerWaalsContact NH2-O 3.17Å
345P38.2Very low31.3Very low63 Ų63115.9 Ų115.941%0.40968%0.678SS.*  -143.6146.5107.543.9-32.3000113.5
346I33.8Very low31.2Very low98 Ų98113.5 Ų113.550%0.50367%0.665SS.*  36.5120.483.6-1.4-174.5000116.3
347N27.3Very low31.1Very low73 Ų73119.5 Ų119.539%0.3967%0.671SS.*  171.2105.5107.4-83.8-28.2000118.4N222N222-N347 VanDerWaalsContact CA-OD1 3.23Å; N222-N347 WeakPolarHBondContact CA-OD1 3.35Å; N222-N347 HydrophobicContact CB-CB 4.38Å; N222-N347 WeakPolarHBondContact CB-OD1 3.04Å; N222-N347 PolarHBondContact O-ND2 3.15Å; N222-N347 PolarHBondContact O-OD1 3.09Å
348C25.8Very low30.8Very low77 Ų77120.1 Ų120.152%0.5268%0.675SS.*  27.4138.9115.9-49.10000121.8N222N222-C348 HydrophobicContact CB-CB 3.95Å; N222-C348 VanDerWaalsContact OD1-CB 3.27Å; N222-C348 WeakPolarHBondContact OD1-CB 3.46Å; N222-C348 PolarHBondContact OD1-SG 3.34Å; N222-C348 VanDerWaalsContact OD1-SG 3.33Å
349S31.1Very low30.6Very low100 Ų100114.3 Ų114.370%0.69967%0.665SS**  trans-165.6128.4137.368.20000111.3
350R31.7Very low30.3Very low163 Ų163117.2 Ų117.262%0.61567%0.673SS**  78.6111.891.8-171.9-163.6-77.1-174.1-3.4117.1
351A33.5Very low30.2Very low93 Ų93119.9 Ų119.977%0.76967%0.668SS**  -158.4142.812900000108.7
352E28.2Very low30.1Very low150 Ų150117 Ų11770%0.70167%0.665SS**  cis85.9130.629.7-86.4-131.494.300117.5
353K32.3Very low30.2Very low190 Ų190116.7 Ų116.783%0.82667%0.673SS**  trans69.8145.1174.4-61.9177.7179.4178.30116.5
354G27.1Very low30.6Very low69 Ų69119 Ų11971%0.71169%0.686SS**  cis150.4-159.2-5.500000112.8
355V30.3Very low29.9Very low142 Ų142117.7 Ų117.786%0.86169%0.687SS**  trans92.1103.8162.2-172.80000118.8
356A27.2Very low29.6Very low73 Ų73123.3 Ų123.360%0.60371%0.707SS**  trans81.2117.7132.600000125
357R26.9Very low29.4Very low236 Ų236125.3 Ų125.389%0.89172%0.719SS**  82.9163.8121.3-73.9176.5177166.6-3.5121.6
358V25.4Very low29.7Very low131 Ų131126.1 Ų126.179%0.79474%0.735SS**  trans90.8141.2156.7-145.90000117.3
359V28.8Very low29.9Very low110 Ų110127.3 Ų127.367%0.66775%0.745SS**  trans67.8120.5171.5-159.90000117.4I361V359-I361 HydrophobicContact CG1-CB 4.36Å; V359-I361 HydrophobicContact CG1-CD1 3.6Å; V359-I361 HydrophobicContact CG1-CG1 3.63Å
360N24.3Very low29.8Very low157 Ų157127.8 Ų127.884%0.8475%0.748SS**  trans-132113.6150.9-165.993.9000107.6
361I27.1Very low29.7Very low133 Ų133130.9 Ų130.968%0.68276%0.76SS**  trans-131.3151.4177.1-60.4169.4000107.2V359V359-I361 HydrophobicContact CG1-CB 4.36Å; V359-I361 HydrophobicContact CG1-CD1 3.6Å; V359-I361 HydrophobicContact CG1-CG1 3.63Å
362T30.6Very low29.7Very low115 Ų115131 Ų13171%0.70676%0.755SS**  trans81112.5172.1-36.40000116.3
363S31.3Very low30.4Very low119 Ų119128.9 Ų128.983%0.83275%0.754SS**  trans-119.5139.6145.1-59.50000108.2
364P40.1Very low30.1Very low118 Ų118125.2 Ų125.277%0.76675%0.748SS**  trans-122.9159.4158.836.6-24000112.3
365G28Very low30.4Very low62 Ų62127.5 Ų127.564%0.63975%0.748SS**  trans86.6113.8179.900000112.7
366H32Very low30.4Very low181 Ų181127.8 Ų127.884%0.83875%0.745SS**  57117.362.2-64.1-108.3000111.2
367D29.1Very low30.5Very low140 Ų140129 Ų12975%0.74976%0.755SS**  cis-137.414742.5-88-48.1000112.6
368A32.2Very low30.6Very low89 Ų89122.9 Ų122.974%0.73675%0.748SS**  58.3128.873.700000114.6
369S30.5Very low30.8Very low103 Ų103123.9 Ų123.972%0.7275%0.754SS**  cis167.2148.1-22.4167.80000104.9
370S29.3Very low30.7Very low110 Ų110124.3 Ų124.377%0.76976%0.762SS**  trans67.1167.6170.983.20000115.4
371R30.7Very low30.8Very low228 Ų228121 Ų12186%0.8676%0.757SS**  cis-151.2141.910.1-167160.7173.6-160.7-1.8112.5
372S32.6Very low31Very low94 Ų94121.5 Ų121.566%0.65777%0.766SS**  trans-93.1153.5161.7540000111.1
373P42.3Very low31Very low107 Ų107120.9 Ų120.970%0.69577%0.773SS**  -130.8156.3102.214.87.1000112.4
374T27.5Very low31.1Very low112 Ų112119.2 Ų119.269%0.68777%0.766SS**  61.1124.865-21.30000110
375T31.8Very low30.9Very low117 Ų117119.6 Ų119.672%0.71877%0.769SS**  -152.9146.255.9480000116.7
376N31.4Very low31.2Very low148 Ų148128.1 Ų128.179%0.79178%0.782SS**  trans63.7127.5137.6-57.23.8000121.7
377A29.2Very low31.4Very low99 Ų99125.7 Ų125.782%0.81878%0.779SS**  trans-82.2-176.515500000109.9
378S28.4Very low31.4Very low107 Ų107125.1 Ų125.175%0.74878%0.781SS**  cis-158.9160.811.355.10000111.3
379V30Very low31.5Very low152 Ų152132.1 Ų132.192%0.92179%0.788SS**  trans-162.1163.3138.1-100.40000109.7
380S26.4Very low31.4Very low119 Ų119133.3 Ų133.383%0.83279%0.791SS**  trans-103.3168.7-160-58.80000115.9
381A27.6Very low31.5Very low88 Ų88132.4 Ų132.473%0.72779%0.79SS**  trans105.3131.3145.900000119.7
382T30.6Very low31.4Very low144 Ų144129.9 Ų129.988%0.88379%0.79SS**  trans45.199.6153.7430000119.4
383A29.3Very low31.4Very low102 Ų102134.1 Ų134.184%0.84380%0.8SS**  trans-142.2127.715300000111
384A35Very low31.1Very low84 Ų84135 Ų13569%0.69480%0.802SS**  trans-76.4150.2165.300000110R386A384-R386 PolarHBondContact O-N 3.16Å
385P34.4Very low31.5Very low126 Ų126134.9 Ų134.982%0.81880%0.804SS**  trans-67.7104-178.427.1-34.3000111.5T387P385-T387 PolarHBondContact O-N 2.93Å
386R35.7Very low31.8Very low241 Ų241135.5 Ų135.591%0.90981%0.807SS**  trans-72112.4169-73.5-179.3173.3144.9-1.9109.4A384 V388A384-R386 PolarHBondContact O-N 3.16Å; R386-V388 PolarHBondContact O-N 3.31Å
387T35.8Very low32Very low129 Ų129133.9 Ų133.979%0.79180%0.803SS**  trans-75.8101.4174.442.30000110.8P385 R389P385-T387 PolarHBondContact O-N 2.93Å; T387-R389 PolarHBondContact O-N 3.14Å
388V28.8Very low32.4Very low128 Ų128137.6 Ų137.678%0.77681%0.805SS**  trans-69120.8171.1179.90000108.9R386 V390R386-V388 PolarHBondContact O-N 3.31Å; V388-V390 HydrophobicContact CG1-CG2 4.21Å
389R33.6Very low33.2Very low237 Ų237138.4 Ų138.489%0.89481%0.806SS**  trans-89.2120.7168.6-65-177.6-177.9179.20.8109T387T387-R389 PolarHBondContact O-N 3.14Å
390V29.4Very low33.8Very low127 Ų127136.7 Ų136.777%0.7780%0.801SS**  trans-115.9124.8158.9-179.80000107.1V388 M392V388-V390 HydrophobicContact CG1-CG2 4.21Å; V390-M392 PolarHBondContact O-N 2.96Å
391A31.7Very low34.4Very low92 Ų92139.5 Ų139.576%0.7681%0.805SS**  trans-81.4114.8177.900000109.6Q393A391-Q393 PolarHBondContact O-N 3.25Å
392M27.7Very low35Very low175 Ų175138.6 Ų138.686%0.86281%0.805SS**  trans-75115.9166.6-77.7-179.564.100109.4V390V390-M392 PolarHBondContact O-N 2.96Å
393Q33.8Very low35.3Very low183 Ų183139.7 Ų139.786%0.85580%0.8SS**  trans-68.3134.3167.5-63.7169-200108.5A391 P395A391-Q393 PolarHBondContact O-N 3.25Å; Q393-P395 WeakPolarHBondContact O-CD 3.48Å
394V35Very low35.6Very low124 Ų124142.8 Ų142.875%0.75279%0.794SS**  trans-92.5119.7178.3178.90000108.9V396V394-V396 PolarHBondContact O-N 3.31Å
395P36.6Very low35.4Very low111 Ų111147.2 Ų147.272%0.72180%0.804SS**  trans-67.5114.2172.9-18.732.6000110.4Q393 V397Q393-P395 WeakPolarHBondContact O-CD 3.48Å; P395-V397 PolarHBondContact O-N 2.97Å
396V37.2Very low35.2Very low129 Ų129146.5 Ų146.578%0.78280%0.802SS**  trans-81.5101.5170.2178.10000108.2V394V394-V396 PolarHBondContact O-N 3.31Å
397V36.8Very low35Very low115 Ų115141.6 Ų141.670%0.69780%0.799SS**  trans-90110.3171.7-173.10000108.6P395 T399P395-V397 PolarHBondContact O-N 2.97Å; V397-T399 HydrophobicContact CG1-CG2 4.18Å; V397-T399 PolarHBondContact O-N 3.33Å
398M35.6Very low34.7Very low176 Ų176141.6 Ų141.687%0.86780%0.799SS**  trans-77.9115.8167.5-73-178.562.900109.6
399T45.9Very low34.8Very low124 Ų124140 Ų14076%0.76180%0.799SS**  trans-125.2125.9162.648.10000110V397V397-T399 HydrophobicContact CG1-CG2 4.18Å; V397-T399 PolarHBondContact O-N 3.33Å
400S42Very low34.5Very low117 Ų117135.6 Ų135.682%0.81880%0.798SS**  trans-69.6154.216439.40000110.3
401L39Very low34.4Very low178 Ų178138.5 Ų138.593%0.93280%0.803SS**SBendtrans68.466.2163-152.468.5000118.8
402G40Very low34.2Very low69 Ų69139.8 Ų139.871%0.71181%0.807SS**  9479.2119.300000122
403Q38.7Very low34.4Very low167 Ų167137.8 Ų137.878%0.7880%0.804SS**  trans67.7148.5148-61.2-173.99.100118.3
404K33.9Very low34.1Very low167 Ų167137 Ų13773%0.72681%0.806SS**  cis-167.9140.1-0.539.7-168.5156.5-71.80108.5
405I30.6Very low33.9Very low176 Ų176135.8 Ų135.890%0.90381%0.809SS**  trans-126.7145.7176.3-56.7177.8000109
406S30.9Very low33.5Very low112 Ų112134.2 Ų134.278%0.78381%0.813SS**  trans-109.1130-177.5-169.80000111.4
407T32Very low33.2Very low137 Ų137132.8 Ų132.884%0.8482%0.815SS**  trans-85.1144.9176.4-82.10000111.6
408V29.4Very low34Very low129 Ų129132.6 Ų132.678%0.78282%0.816SS**  trans-108142.3172.8-178.30000109.3
409A31.3Very low33.6Very low95 Ų95131.4 Ų131.479%0.78581%0.812SS**  trans-111.7148.8175.700000111.4
410V27.2Very low32.8Very low144 Ų144133 Ų13387%0.87382%0.815SS**  trans-111.4145.3-175.9-171.90000110
411Q26.7Very low32Very low188 Ų188133.6 Ų133.688%0.87981%0.813SS**  trans-85.2155.5-179.5-63.8-178.612.700112.7
412S27.3Very low31.3Very low120 Ų120130.6 Ų130.684%0.83981%0.807SS**  trans-143.9168164.1-168.20000109.4
413V31.5Very low30.7Very low132 Ų132133.3 Ų133.380%0.881%0.81SS**  trans-129.3166.7-153.7-65.10000116
414N29.3Very low30.3Very low167 Ų167130.6 Ų130.689%0.89381%0.81SS**  trans97.6157.6161.2-146.522.9000118.1
415A29.7Very low30.5Very low98 Ų98128 Ų12881%0.8181%0.81SS**  trans-139.4162.1-155.400000116.4
416G29Very low30.6Very low79 Ų79125.7 Ų125.781%0.81480%0.804SS**  trans-179.1159.7174.400000112.5
417A31.2Very low30.7Very low99 Ų99127.5 Ų127.582%0.81881%0.81SS**  trans-160.9-169.8-175.200000110.7
418P52.3Low30.9Very low111 Ų111126 Ų12672%0.72181%0.812SS**  cis-137.1-158.5-13.735.9-12.7000114.7
419L27.6Very low31.2Very low151 Ų151126.3 Ų126.379%0.79182%0.815SS**  trans80.1152.9165.5-64.8147.2000117.6
420I28.3Very low31.4Very low158 Ų158125.9 Ų125.981%0.8181%0.805SS**  cis-136.3-16114.1-3.9171.4000114.1
421T26.1Very low31.7Very low128 Ų128124.5 Ų124.579%0.78580%0.8SS**  trans-113.6172.9-159.4490000118.1
422S24.7Very low31.9Very low115 Ų115123.7 Ų123.780%0.80479%0.793SS**  trans80.9152161.1-117.30000117.9
423T28.2Very low32.5Very low127 Ų127123.4 Ų123.478%0.77979%0.786SS**  cis-135.6167.55.247.20000113.6
424S28.9Very low32.7Very low110 Ų110122.2 Ų122.277%0.76978%0.779SS**  trans-88.1171.2160.7-55.50000110.3
425P39Very low33.3Very low113 Ų113119.7 Ų119.773%0.73476%0.764SS**  cis-147.1173.325.445-24.7000119.4
426T32.5Very low33.5Very low127 Ų127123.6 Ų123.678%0.77977%0.766SS**  trans25109.4151.656.30000121.1
427T32.9Very low34.2Very low149 Ų149124.4 Ų124.491%0.91476%0.755SS**  -146.8139.7118.415.10000108.8T429T427-T429 PolarHBondContact O-N 2.87Å
428A36.9Very low34.5Very low105 Ų105127 Ų12787%0.86875%0.754SS**  trans-94.7102.9-168.500000112.8
429T34.7Very low33.7Very low137 Ų137125.8 Ų125.884%0.8475%0.745SS**  trans-122.1130.4150.749.40000108.8T427T427-T429 PolarHBondContact O-N 2.87Å
430S35.5Very low34.4Very low85 Ų85124.8 Ų124.859%0.59475%0.746SS**  trans-71.5142.1-17252.40000111.8K432S430-K432 PolarHBondContact O-N 3.3Å
431P34.5Very low34.9Very low116 Ų116122.5 Ų122.575%0.75374%0.739SS**  trans-67.398.1172.927.7-33.5000109.8V433P431-V433 PolarHBondContact O-N 3.47Å; P431-V433 VanDerWaalsContact O-N 3.09Å
432K30Very low35.9Very low171 Ų171124 Ų12474%0.74374%0.739SS**  trans-70.5100.3170.5-80.8-175.2175178.90109.4S430 V434S430-K432 PolarHBondContact O-N 3.3Å; K432-V434 PolarHBondContact O-N 3.19Å; K432-V434 VanDerWaalsContact O-N 3.11Å
433V40.6Very low36.7Very low113 Ų113123.8 Ų123.869%0.68574%0.735SS**  trans-72.3100.1169.2-177.80000108.6P431 I435P431-V433 PolarHBondContact O-N 3.47Å; P431-V433 VanDerWaalsContact O-N 3.09Å; V433-I435 HydrophobicContact CG1-CG1 4.21Å; V433-I435 PolarHBondContact O-N 3.36Å
434V35Very low37.4Very low107 Ų107122 Ų12265%0.64873%0.733SS**  trans-86107.6173-178.90000108.4K432 Q436K432-V434 PolarHBondContact O-N 3.19Å; K432-V434 VanDerWaalsContact O-N 3.11Å; V434-Q436 PolarHBondContact O-N 3.46Å
435I42Very low38Very low115 Ų115122.7 Ų122.759%0.5974%0.738SS**  trans-81.999.8174.5-57.3177.4000108V433 T437V433-I435 HydrophobicContact CG1-CG1 4.21Å; V433-I435 PolarHBondContact O-N 3.36Å; I435-T437 PolarHBondContact O-N 3.14Å
436Q33.5Very low38.4Very low180 Ų180123.2 Ų123.284%0.84174%0.739SS**  trans-78.499.4176.9-171.217410.300110V434V434-Q436 PolarHBondContact O-N 3.46Å
437T44.5Very low39Very low95 Ų95125.1 Ų125.158%0.58374%0.739SS**  trans-74.8134.9172.147.50000110.5I435I435-T437 PolarHBondContact O-N 3.14Å
438I37.4Very low39.9Very low155 Ų155124.9 Ų124.980%0.79573%0.732SS**  trans-76.8129.8174.3-59.1174000107.8T440I438-T440 PolarHBondContact O-N 3.19Å
439P35.1Very low40.4Very low84 Ų84123.1 Ų123.155%0.54573%0.725SS.*  trans-70.7113.7179.327.7-33.7000110.9V441P439-V441 PolarHBondContact O-N 3.34Å
440T41.5Very low41.1Very low131 Ų131124.3 Ų124.380%0.80473%0.726SS**  trans-73.4107.1165.7-620000108.8I438I438-T440 PolarHBondContact O-N 3.19Å
441V40.2Very low41.7Very low110 Ų110128.4 Ų128.467%0.66773%0.733SS**PPolyproline II helixtrans-75.9120.6166.1-700000109.3P439P439-V441 PolarHBondContact O-N 3.34Å
442M46Very low42.5Very low158 Ų158130 Ų13078%0.77873%0.734SS**PPolyproline II helixtrans-98125.1166.3-100-148.769.400109.2
443P41.2Very low43.3Very low112 Ų112126.7 Ų126.773%0.72773%0.728SS**PPolyproline II helixtrans-73.2123.4160.230.5-29.8000108.4
444A43.2Very low43.2Very low89 Ų89128.1 Ų128.174%0.73673%0.729SS**  trans-102.5106.7166.700000107.6T446A444-T446 PolarHBondContact O-N 3.31Å; A444-T446 VanDerWaalsContact O-N 3.14Å
445S42.3Very low43.6Very low125 Ų125131.4 Ų131.487%0.87474%0.737SS**  trans-7995178.557.40000110.4
446T45.9Very low43.6Very low123 Ų123132 Ų13276%0.75575%0.748SS**  trans-90.7139.7148.946.50000108.5A444A444-T446 PolarHBondContact O-N 3.31Å; A444-T446 VanDerWaalsContact O-N 3.14Å
447E46.7Very low44Very low168 Ų168126.5 Ų126.579%0.78573%0.734SS**SBendtrans-51.9139.5173.6-158.9-174.4103.500111
448N51Low43.8Very low143 Ų143131.4 Ų131.477%0.76575%0.747SS**SBendtrans71.878.3175.6-48.7-53.4000117.5
449G47.4Very low44.2Very low69 Ų69129.8 Ų129.871%0.71174%0.739SS**  trans109.5109.6149.300000117.5K451G449-K451 PolarHBondContact O-N 2.99Å
450D49.6Very low44.6Very low162 Ų162132.7 Ų132.787%0.86675%0.748SS**  trans-70.990.1-178.1-78.6-54.5000114.3
451K49Very low44.6Very low170 Ų170131.2 Ų131.274%0.73974%0.739SS**  trans-95.786.7165.4-174.6173.8171.7-69.80111.2G449 T453G449-K451 PolarHBondContact O-N 2.99Å; K451-T453 PolarHBondContact O-N 2.97Å; K451-T453 VanDerWaalsContact O-N 3.13Å
452I49.8Very low45.1Very low151 Ų151130.6 Ų130.677%0.77473%0.731SS**  trans-59.7113.9179.5-55.5174.3000111.1
453T46.4Very low45.2Very low101 Ų101126.8 Ų126.862%0.6272%0.718SS**  trans-110.2105.2172.452.60000111.2K451K451-T453 PolarHBondContact O-N 2.97Å; K451-T453 VanDerWaalsContact O-N 3.13Å
454M39.6Very low45.5Very low142 Ų142124.6 Ų124.670%0.771%0.709SS**PPolyproline II helixtrans-74.9128.1170-68.7-168.171.800110.8
455Q43.2Very low45.8Very low176 Ų176125.5 Ų125.582%0.82271%0.706SS**PPolyproline II helixtrans-90.9134.8165.8-66.8-161.88.900110.7
456P41.5Very low46Very low127 Ų127125.1 Ų125.183%0.82569%0.69SS**PPolyproline II helixtrans-73.3129.7176.129.4-33.4000111.1K458P456-K458 PolarHBondContact O-N 3.25Å
457A43.3Very low46.3Very low65 Ų65123.9 Ų123.954%0.53768%0.679SS.*PPolyproline II helixtrans-69.5127.9-179.200000112I459A457-I459 PolarHBondContact O-N 3.13Å
458K39.3Very low46.5Very low198 Ų198118.7 Ų118.786%0.86166%0.664SS**  trans-78.7105.5178.8-164.5172-173.1174.90110.3P456 I460P456-K458 PolarHBondContact O-N 3.25Å; K458-I460 PolarHBondContact O-N 3.04Å; K458-I460 VanDerWaalsContact O-N 3.12Å
459I45.1Very low46.3Very low122 Ų122118.8 Ų118.863%0.62666%0.66SS**  trans-67108.6-177.1-56.4174.8000110.4A457 T461A457-I459 PolarHBondContact O-N 3.13Å; I459-T461 PolarHBondContact O-N 3.21Å
460I44.4Very low46.2Very low144 Ų144119.1 Ų119.174%0.73865%0.65SS**  trans-79.1100.4174.3-56.3178.4000108.8K458 I462K458-I460 PolarHBondContact O-N 3.04Å; K458-I460 VanDerWaalsContact O-N 3.12Å; I460-I462 HydrophobicContact CG2-CG1 4.19Å; I460-I462 PolarHBondContact O-N 3.31Å
461T41.9Very low46.1Very low100 Ų100118 Ų11861%0.61364%0.64SS**  trans-84.1107.6171.8-58.70000109.5I459 P463I459-T461 PolarHBondContact O-N 3.21Å; T461-P463 WeakPolarHBondContact O-CD 3.49Å
462I50Low45.8Very low98 Ų98117.2 Ų117.250%0.50364%0.643SS.*  trans-83.1123.9175.7-57.4177.8000109.3I460I460-I462 HydrophobicContact CG2-CG1 4.19Å; I460-I462 PolarHBondContact O-N 3.31Å
463P48.5Very low45.4Very low77 Ų77119 Ų11950%0.565%0.648SS.*  trans-64.9135.1174.5-21.934.4000112T461 T465 Q466T461-P463 WeakPolarHBondContact O-CD 3.49Å; P463-T465 PolarHBondContact O-N 2.94Å; P463-Q466 PolarHBondContact O-N 3.47Å; P463-Q466 VanDerWaalsContact O-N 3.09Å
464A48.2Very low45.3Very low66 Ų66119.9 Ų119.955%0.54565%0.654SS.*Hα-helixtrans-57.9-23.5-175.100000114.4Q466 L467A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.27Å; A464-L467 PolarHBondContact O-N 3.02Å
465T48.1Very low45Very low108 Ų108123.1 Ų123.166%0.66366%0.664SS**Hα-helixtrans-61.5-33.1176.141.30000113.7P463P463-T465 PolarHBondContact O-N 2.94Å
466Q47.3Very low44.6Very low118 Ų118120.3 Ų120.355%0.55166%0.663SS**Hα-helixtrans-76.2-27.3176.9-68.3-150.1-34.300113P463 A464 A468 Q469P463-Q466 PolarHBondContact O-N 3.47Å; P463-Q466 VanDerWaalsContact O-N 3.09Å; A464-Q466 VanDerWaalsContact C-N 3.32Å; A464-Q466 PolarHBondContact O-N 3.27Å; Q466-A468 PolarHBondContact O-N 3.31Å; Q466-Q469 PolarHBondContact O-N 3.13Å
467L52.2Low44.5Very low97 Ų97122.2 Ų122.251%0.50867%0.667SS.*Hα-helixtrans-68.6-24.2177.4-126.3168.4000112.4A464A464-L467 PolarHBondContact O-N 3.02Å
468A49.6Very low44.1Very low58 Ų58127.4 Ų127.448%0.47969%0.685SS.*Hα-helixtrans-70.9-36.5175.700000113.1Q466 C470 Q471Q466-A468 PolarHBondContact O-N 3.31Å; A468-C470 VanDerWaalsContact C-N 3.35Å; A468-C470 PolarHBondContact O-N 3.11Å; A468-Q471 PolarHBondContact O-N 3.46Å
469Q46.9Very low44.3Very low146 Ų146125.2 Ų125.268%0.68269%0.688SS**Hα-helixtrans-67.7-33.7-178.2-72.7-177.5-41.300112.5Q466 Q471 L472Q466-Q469 PolarHBondContact O-N 3.13Å; Q469-Q471 PolarHBondContact O-N 3.45Å; Q469-L472 PolarHBondContact O-N 2.93Å
470C45.4Very low43.8Very low75 Ų75122.9 Ų122.951%0.50769%0.694SS.*THydrogen-bonded Turntrans-66.9-17.6178.4-68.70000114.4A468A468-C470 VanDerWaalsContact C-N 3.35Å; A468-C470 PolarHBondContact O-N 3.11Å
471Q48.2Very low43.6Very low139 Ų139122 Ų12265%0.6570%0.7SS**THydrogen-bonded Turntrans-90.2-14.7-177.1-66.2-170.445.200114.2A468 Q469 Q473A468-Q471 PolarHBondContact O-N 3.46Å; Q469-Q471 PolarHBondContact O-N 3.45Å; Q471-Q473 PolarHBondContact O-N 3.2Å
472L42.4Very low43.2Very low153 Ų153121 Ų12180%0.80171%0.71SS**THydrogen-bonded Turntrans-82.5-5.6-171.4-79.4167.6000115.1Q469Q469-L472 PolarHBondContact O-N 2.93Å
473Q42Very low42.7Very low188 Ų188120.7 Ų120.788%0.87972%0.717SS**THydrogen-bonded Turntrans-10531.3-172.7-147.1170.848.700114.7Q471Q471-Q473 PolarHBondContact O-N 3.2Å
474T43.7Very low42.3Very low120 Ų120122.5 Ų122.574%0.73672%0.721SS**  trans-125.254.1179.352.50000113.6
475K34.4Very low41.9Very low211 Ų211125.8 Ų125.892%0.91773%0.729SS**  trans-152.448.6172.8-119157-166.4168.60117.1
476S34.2Very low41.5Very low116 Ų116127 Ų12781%0.81173%0.731SS**SBendtrans-137.4150.8151.259.70000109.6L478S476-L478 PolarHBondContact O-N 3.25Å
477N39.3Very low41.3Very low168 Ų168128.8 Ų128.890%0.89875%0.749SS**  trans-84.5103.4-167.4-69.3-24.3000112.2
478L34.7Very low41Very low173 Ų173127 Ų12791%0.90675%0.754SS**  trans-160.4146156.6-110.2151.2000110.8S476 G480S476-L478 PolarHBondContact O-N 3.25Å; L478-G480 PolarHBondContact O-N 3.39Å
479T43.6Very low40.4Very low153 Ų153130.1 Ų130.194%0.93977%0.767SS**  trans-79.6103.2-175.8-21.60000110.3
480G34Very low39.8Very low73 Ų73128.6 Ų128.675%0.75377%0.77SS**  trans-153.6144.9-17900000113.3L478L478-G480 PolarHBondContact O-N 3.39Å
481S39.9Very low39.3Very low124 Ų124132.1 Ų132.187%0.86778%0.783SS**  trans-86.9109.1175-176.10000109.6S483S481-S483 PolarHBondContact O-N 3.13Å
482G35.1Very low38.8Very low79 Ų79130.4 Ų130.481%0.81479%0.793SS**  trans-73.8110.917700000111.9
483S39.5Very low38.5Very low92 Ų92128.6 Ų128.664%0.64379%0.788SS**  trans-89.5123.2172.248.20000111.1S481 N485S481-S483 PolarHBondContact O-N 3.13Å; S483-N485 PolarHBondContact O-N 3.12Å
484I39.9Very low38.2Very low115 Ų115130.8 Ų130.859%0.5979%0.788SS**  trans-83.2112.9171.2-53.7170.1000107.6
485N38.8Very low37.8Very low135 Ų135129.4 Ų129.472%0.72279%0.789SS**  trans-91.7112.3172.9-75.5-62.8000110.3S483S483-N485 PolarHBondContact O-N 3.12Å
486I40Very low37.7Very low135 Ų135127 Ų12769%0.69279%0.785SS**  trans-110.1145.9157.3-66.8175.1000106.1G488I486-G488 PolarHBondContact O-N 3.27Å; I486-G488 VanDerWaalsContact O-N 3.11Å
487V43.8Very low37.6Very low154 Ų154127 Ų12793%0.93378%0.781SS**SBendtrans-59115.2-169.1179.70000111.4
488G46Very low37.2Very low59 Ų59125.2 Ų125.261%0.60878%0.778SS**SBendtrans102.794.8174.500000114.6I486I486-G488 PolarHBondContact O-N 3.27Å; I486-G488 VanDerWaalsContact O-N 3.11Å
489T37.4Very low37Very low125 Ų125122.4 Ų122.477%0.76777%0.768SS**SBendtrans68.1135.8173.469.70000117.3
490P34Very low36.7Very low114 Ų114121 Ų12174%0.7477%0.765SS**  trans-84.2120-178.532.2-33.7000112.5
491L34.8Very low36.8Very low149 Ų149124 Ų12478%0.7876%0.762SS**  trans-83.4122171.2-124.281.7000111.2V493L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 HydrophobicContact CB-CG2 4.43Å; L491-V493 PolarHBondContact O-N 3.46Å
492A36.9Very low36.4Very low103 Ų103122.7 Ų122.785%0.85176%0.758SS**  trans-78.473.7177.300000112.2R494A492-R494 PolarHBondContact O-N 3.42Å
493V35.9Very low36.4Very low115 Ų115128.1 Ų128.170%0.69776%0.762SS**  trans-71.198.9176.8-175.40000110.2L491 A495L491-V493 VanDerWaalsContact C-N 3.32Å; L491-V493 HydrophobicContact CB-CG2 4.43Å; L491-V493 PolarHBondContact O-N 3.46Å; V493-A495 PolarHBondContact O-N 3.23Å
494R36.5Very low36.2Very low233 Ų233127 Ų12788%0.87977%0.765SS**  trans-78.586.5177.4-157.3176.5-159.1159.64.9110.2A492 L496A492-R494 PolarHBondContact O-N 3.42Å; R494-L496 PolarHBondContact O-N 3.33Å; R494-L496 VanDerWaalsContact O-N 3.13Å
495A34.2Very low35.6Very low91 Ų91128.2 Ų128.275%0.75278%0.778SS**PPolyproline II helixtrans-56.2116.1176.600000110.8V493V493-A495 PolarHBondContact O-N 3.23Å
496L33Very low35.4Very low160 Ų160127.7 Ų127.784%0.83878%0.782SS**PPolyproline II helixtrans-72.9139.2169.4-67.1175.2000108.8R494R494-L496 PolarHBondContact O-N 3.33Å; R494-L496 VanDerWaalsContact O-N 3.13Å
497T31.3Very low35Very low118 Ų118128 Ų12872%0.72479%0.789SS**PPolyproline II helixtrans-58.913217447.60000109.7V499T497-V499 PolarHBondContact O-N 3.45Å
498P31.7Very low34.3Very low130 Ų130128.9 Ų128.984%0.84479%0.786SS**  trans-66.6102.2-179.526.7-33.8000110.3S500P498-S500 PolarHBondContact O-N 3.49Å
499V31.2Very low33.8Very low113 Ų113137 Ų13769%0.68580%0.798SS**  trans-72.8118.7170.1176.40000107.8T497 I501T497-V499 PolarHBondContact O-N 3.45Å; V499-I501 HydrophobicContact CG1-CG1 4.14Å; V499-I501 PolarHBondContact O-N 3.11Å; V499-I501 VanDerWaalsContact O-N 3.13Å
500S37.3Very low33.2Very low125 Ų125138.3 Ų138.387%0.87480%0.799SS**  trans-73.3101.5173.1-169.60000109.2P498P498-S500 PolarHBondContact O-N 3.49Å
501I35.4Very low33.1Very low136 Ų136137.8 Ų137.870%0.69780%0.798SS**PPolyproline II helixtrans-86.1125179.7-64.1173.9000109V499V499-I501 HydrophobicContact CG1-CG1 4.14Å; V499-I501 PolarHBondContact O-N 3.11Å; V499-I501 VanDerWaalsContact O-N 3.13Å
502A32.6Very low33.1Very low95 Ų95138.9 Ų138.979%0.78580%0.802SS**PPolyproline II helixtrans-77.9146.4169.900000110.9
503H35Very low32.9Very low194 Ų194139.4 Ų139.490%0.89880%0.796SS**PPolyproline II helixtrans-84.3142.4-174.3-64.8103.7000113.4
504G35.3Very low32.8Very low68 Ų68140.6 Ų140.670%0.70180%0.804SS**  trans114.998.3139.600000118.4
505T27.2Very low32.7Very low141 Ų141138.5 Ų138.587%0.86580%0.804SS**SBendtrans-169.1164132.915.70000108.7
506P34.2Very low32.6Very low124 Ų124143.4 Ų143.481%0.80581%0.811SS**  trans-80.8139.2-135.529.9-37.5000115.8
507V31.1Very low32.7Very low140 Ų140140.8 Ų140.885%0.84881%0.813SS**  trans-84.3118.1161176.40000108.6R509V507-R509 PolarHBondContact O-N 3.23Å
508M29.5Very low32.6Very low174 Ų174141 Ų14186%0.85782%0.819SS**  trans-72.8109.6172.5-169.8171.3-176.300109.7L510M508-L510 PolarHBondContact O-N 3.14Å; M508-L510 VanDerWaalsContact O-N 3.09Å
509R35.5Very low32.5Very low230 Ų230138.7 Ų138.787%0.86882%0.819SS**  trans-77.492.7-175-170.4-173.1-166.2116.5-1.3111.4V507 S511V507-R509 PolarHBondContact O-N 3.23Å; R509-S511 PolarHBondContact O-N 3.09Å; R509-S511 VanDerWaalsContact O-N 3.14Å
510L25.2Very low32.5Very low152 Ų152142.7 Ų142.780%0.79683%0.83SS**  trans-70.9103.3166.5-76.9170.9000110.1M508M508-L510 PolarHBondContact O-N 3.14Å; M508-L510 VanDerWaalsContact O-N 3.09Å
511S30.7Very low32.5Very low103 Ų103143.1 Ų143.172%0.7283%0.828SS**PPolyproline II helixtrans-73.4119169.549.70000110.6R509R509-S511 PolarHBondContact O-N 3.09Å; R509-S511 VanDerWaalsContact O-N 3.14Å
512M34.8Very low32.5Very low172 Ų172142 Ų14285%0.84783%0.83SS**PPolyproline II helixtrans-69.3126.1164.5-74.7-69.6157.800109.5T514M512-T514 PolarHBondContact O-N 3.49Å
513P32.5Very low32.5Very low113 Ų113143.8 Ų143.873%0.73483%0.833SS**PPolyproline II helixtrans-73.2117169.329.7-31.5000109.3Q515P513-Q515 PolarHBondContact O-N 3.2Å
514T34.8Very low32.5Very low141 Ų141145.9 Ų145.987%0.86583%0.833SS**PPolyproline II helixtrans-64.9127.3157.643.30000108.8M512M512-T514 PolarHBondContact O-N 3.49Å
515Q33Very low32.1Very low189 Ų189149.5 Ų149.588%0.88384%0.841SS**  trans-130.5142.7162.5-138.5174.273.600109.6P513P513-Q515 PolarHBondContact O-N 3.2Å
516Q33Very low32.3Very low193 Ų193150.1 Ų150.190%0.90284%0.837SS**  trans-81.6158.5-170.4-70.1158.5-98.700111.7
517A34.2Very low32Very low105 Ų105149.4 Ų149.487%0.86884%0.836SS**  trans-81144.5-177.900000113.2
518S29.9Very low32Very low123 Ų123146.8 Ų146.886%0.8683%0.829SS**  trans-160.2154152.661.70000110.8
519G29.6Very low32Very low81 Ų81145.2 Ų145.284%0.83583%0.828SS**  trans89.1113.7168.300000117
520Q32.3Very low31.9Very low197 Ų197142 Ų14292%0.92183%0.826SS**  trans-90.5136.4162.9-67.2175.5-65.600110.6
521T36.3Very low32Very low135 Ų135144 Ų14483%0.82883%0.829SS**  trans-147.7149.2148.643.90000109.8
522P35.7Very low32.2Very low113 Ų113142.2 Ų142.273%0.73483%0.827SS**PPolyproline II helixtrans-81151.5-17932.4-35.1000112.4R524P522-R524 PolarHBondContact O-N 3.35Å
523P32.9Very low32.5Very low131 Ų131140.3 Ų140.385%0.85183%0.827SS**PPolyproline II helixtrans-72.6127.4-177.929.2-34.4000112.3
524R33.8Very low32.3Very low238 Ų238143.2 Ų143.290%0.89883%0.831SS**PPolyproline II helixtrans-91.3130163.8-86.1179.5154.9-173.6-7.3109.9P522P522-R524 PolarHBondContact O-N 3.35Å
525V28.4Very low32.1Very low144 Ų144143.1 Ų143.187%0.87383%0.83SS**PPolyproline II helixtrans-79.9131.7170-178.80000109
526I31.2Very low32Very low154 Ų154142.5 Ų142.579%0.7982%0.824SS**  trans-117.3119.2170.4-60.2178.1000107.4
527S27.8Very low31.9Very low110 Ų110138.5 Ų138.577%0.76982%0.818SS**  trans-87.3137.6169.5-174.20000109.6
528A29.9Very low31.5Very low85 Ų85142.4 Ų142.470%0.70282%0.818SS**  trans-125.4107.1178.100000109.9
529V31Very low31.5Very low140 Ų140141.4 Ų141.485%0.84882%0.818SS**  trans-77.6127.6172.8174.60000108.9
530I32.3Very low31.4Very low162 Ų162144.2 Ų144.283%0.83182%0.818SS**  trans-106.8133.1173.2-62.2-178.9000109.2
531K28Very low31.3Very low195 Ų195138.8 Ų138.885%0.84881%0.807SS**PPolyproline II helixtrans-99.3129.5-167.5-171.2177.4-177.7179.90110.4
532G35.6Very low30.8Very low66 Ų66141.9 Ų141.968%0.6881%0.809SS**PPolyproline II helixtrans-74.7146.7175.100000112.6
533P40Very low30.5Very low132 Ų132144.5 Ų144.586%0.85781%0.808SS**PPolyproline II helixtrans-91152.9175.535.7-33.8000113.1
534E27.9Very low30.3Very low173 Ų173144.4 Ų144.481%0.80880%0.797SS**  trans-117.4134.9172.9-178.3-160.2130.100109.6
535V31Very low30Very low140 Ų140140.6 Ų140.685%0.84879%0.789SS**  trans-151.3141.6159-138.70000111.6
536K31.1Very low30.1Very low175 Ų175142 Ų14276%0.76179%0.786SS**  trans-83.3171.7159.5-64.1178.6177174.90109
537S30.4Very low29.9Very low110 Ų110139.9 Ų139.977%0.76978%0.776SS**  cis-159.715330.8-540000113.9
538E27.2Very low30.1Very low187 Ų187140.6 Ų140.687%0.87478%0.776SS**  trans26.1122.4138.9-162.7173.8124.400122.7
539A28.9Very low30.3Very low102 Ų102144.7 Ų144.784%0.84378%0.778SS**  trans-162.4160.8141.400000110.9
540V28.1Very low30.3Very low140 Ų140144.7 Ų144.785%0.84878%0.778SS**  trans-119.1136.1-166.61700000113.7
541A29.3Very low30.4Very low82 Ų82145.3 Ų145.368%0.67878%0.782SS**  trans176.2133134.100000115.6
542K27.2Very low30.3Very low200 Ų200144.2 Ų144.287%0.8778%0.78SS**  trans35.3142.1130-58.3168.9-175.8172.40119.3
543K28.2Very low29.9Very low168 Ų168149.3 Ų149.373%0.7379%0.791SS**  cis-165.5169.421.6-139.2-167.4-175.2-135.70111
544Q29.1Very low29.5Very low130 Ų130148.4 Ų148.461%0.60778%0.782SS**  trans17.7148.9141.8-100.9161.8-56.500121.1
545E27.9Very low29.5Very low158 Ų158149.3 Ų149.374%0.73879%0.787SS**  cis-159.7164.818.2-169.8153.480.900112
546H30.6Very low29.4Very low174 Ų174151.5 Ų151.581%0.80679%0.788SS**  trans-143.7126163.3-158.2-71.1000110
547D27Very low29.3Very low108 Ų108151.5 Ų151.558%0.57879%0.788SS**  trans-75.5129-179.9179.2-127.2000111.4K549D547-K549 WeakPolarHBondContact OD1-CE 3.1Å
548V32.5Very low30Very low126 Ų126151.3 Ų151.376%0.76478%0.784SS**  trans-145.5124.8157.6-177.20000107.8
549K34Very low30.3Very low171 Ų171147 Ų14774%0.74378%0.78SS**  trans-87.1135.6-173.8-62.5159.8-171.7166.70111.7D547D547-K549 WeakPolarHBondContact OD1-CE 3.1Å
550T30.7Very low30.4Very low139 Ų139150.1 Ų150.185%0.85378%0.782SS**  trans-134.7139.5158.5-65.20000108.4
551L33.4Very low30.8Very low175 Ų175145.9 Ų145.992%0.91677%0.767SS**  trans-79.4154.5-177.6-75.1168.9000112.5
552Q26.9Very low31.3Very low172 Ų172150.2 Ų150.280%0.80478%0.779SS**  trans-93.9132.4-172-177.6177-0.400111.2
553L27.2Very low31.6Very low174 Ų174149.8 Ų149.891%0.91178%0.777SS**  trans-118.9149.1158.1-15376.4000108.3
554V30.7Very low32.2Very low112 Ų112148.4 Ų148.468%0.67978%0.783SS**  trans-110.6131.1-169.9173.40000109.9
555E28.9Very low32.4Very low192 Ų192147.5 Ų147.590%0.89779%0.786SS**  trans-152.9-170148.4-153.414479.100110.7
556E27.3Very low32.7Very low186 Ų186145.6 Ų145.687%0.86979%0.785SS**  trans-88168.1-145.2-133.7-172.2134.600117.8
557K30.7Very low32.8Very low176 Ų176145.1 Ų145.177%0.76578%0.783SS**  trans-102.6172.7165.6-154-142175.7-169.50106.6
558P44.7Very low33.2Very low106 Ų106145.4 Ų145.469%0.68879%0.789SS**  cis-121.9170.7-2037.6-23.2000113.7
559A32.7Very low33.2Very low95 Ų95145.1 Ų145.179%0.78579%0.787SS**  -178.8160127.800000111.8
560D32.1Very low33.1Very low168 Ų168142.9 Ų142.990%0.89879%0.787SS**  trans-54.2172.4-177.8-64.3-96.5000117.6
561G36.5Very low33.3Very low51 Ų51142.3 Ų142.353%0.52678%0.783SS.*  trans115.776.8156.300000115.8K563G561-K563 WeakPolarHBondContact O-CG 3.23Å
562N39.7Very low33.1Very low174 Ų174139.4 Ų139.493%0.9378%0.777SS**  trans10.5106.9151.2-57.5-9.8000116.9
563K33.3Very low33.6Very low190 Ų190135.1 Ų135.183%0.82677%0.772SS**  trans-122.8120.7171.6-57.9-177.3-174.2175.30110G561G561-K563 WeakPolarHBondContact O-CG 3.23Å
564T41Very low34.4Very low139 Ų139133 Ų13385%0.85377%0.768SS**  trans-69.3130.7173.233.90000110.3
565V32Very low34.5Very low112 Ų112133.9 Ų133.968%0.67978%0.78SS**  trans-96.798.8178.2-179.30000109.7H567V565-H567 PolarHBondContact O-N 3.35Å
566T34.3Very low34.8Very low117 Ų117129 Ų12972%0.71877%0.771SS**  trans-77102.8173.4-52.40000109.9V568T566-V568 HydrophobicContact CG2-CG2 4.17Å; T566-V568 PolarHBondContact O-N 3.24Å
567H33.4Very low35.2Very low164 Ų164127.9 Ų127.976%0.75977%0.77SS**  trans-75.791.9173.3-77.6-81.2000111.2V565 V569V565-H567 PolarHBondContact O-N 3.35Å; H567-V569 PolarHBondContact O-N 3.41Å
568V34.1Very low35.4Very low115 Ų115124.2 Ų124.270%0.69777%0.773SS**  trans-76.5110170.5-177.40000109.3T566 V570T566-V568 HydrophobicContact CG2-CG2 4.17Å; T566-V568 PolarHBondContact O-N 3.24Å; V568-V570 HydrophobicContact CG1-CG2 4.02Å; V568-V570 PolarHBondContact O-N 3.01Å
569V33.1Very low34.8Very low120 Ų120126.5 Ų126.573%0.72778%0.778SS**  trans-9298.7174.2-176.50000109.3H567 V571H567-V569 PolarHBondContact O-N 3.41Å; V569-V571 HydrophobicContact CG1-CG2 4.1Å; V569-V571 PolarHBondContact O-N 3.09Å
570V31.9Very low35.3Very low124 Ų124127.7 Ų127.775%0.75278%0.778SS**  trans-79.897174-176.40000109.5V568 S572V568-V570 HydrophobicContact CG1-CG2 4.02Å; V568-V570 PolarHBondContact O-N 3.01Å; V570-S572 PolarHBondContact O-N 3.09Å
571V34.9Very low35.4Very low126 Ų126125.8 Ų125.876%0.76477%0.772SS**  trans-79.2103.4169.4-177.80000108.5V569 A573V569-V571 HydrophobicContact CG1-CG2 4.1Å; V569-V571 PolarHBondContact O-N 3.09Å; V571-A573 PolarHBondContact O-N 2.9Å
572S29.1Very low35.3Very low114 Ų114129.7 Ų129.780%0.79779%0.786SS**  trans-78.1120.6177.5-1700000111V570V570-S572 PolarHBondContact O-N 3.09Å
573A37.3Very low35.1Very low83 Ų83129.7 Ų129.769%0.68678%0.782SS**  trans-110.1135.1173.100000109.9V571V571-A573 PolarHBondContact O-N 2.9Å
574P44.4Very low35.1Very low129 Ų129130 Ų13084%0.83878%0.784SS**  trans-80.9128.7-17731.7-33.6000111.9
575S32.5Very low35.1Very low131 Ų131130 Ų13092%0.91678%0.784SS**  trans-142.5160165-86.70000110
576A35.1Very low35.1Very low88 Ų88133.6 Ų133.673%0.72779%0.793SS**  trans-111.3158.9-15200000115.2
577I36.8Very low35.3Very low164 Ų164131.4 Ų131.484%0.84179%0.794SS**  trans60.7111.1156.3-59.7154.4000116.4
578A33.4Very low35.4Very low99 Ų99131.5 Ų131.582%0.81880%0.799SS**  trans-135.3145.315700000109.5
579L32.8Very low35.8Very low153 Ų153132.5 Ų132.580%0.80181%0.805SS**  trans-84.3148.7-177-67165.2000111.5V581L579-V581 PolarHBondContact O-N 3.34Å
580P43.6Very low36.1Very low120 Ų120132.1 Ų132.178%0.77980%0.803SS**  trans-75.5106.417730.2-33.4000111.5
581V33.5Very low36.3Very low129 Ų129132 Ų13278%0.78281%0.806SS**  trans-83118.4167.3175.50000109.2L579 M583L579-V581 PolarHBondContact O-N 3.34Å; V581-M583 PolarHBondContact O-N 3.46Å
582T35.4Very low36.5Very low132 Ų132133.8 Ų133.881%0.8181%0.807SS**  trans-79.8101.2177.652.40000111.1K584T582-K584 PolarHBondContact O-N 3.5Å
583M34.5Very low37Very low175 Ų175140.1 Ų140.186%0.86282%0.82SS**  trans-77121.1167.1-63.1-165.477.600109.8V581V581-M583 PolarHBondContact O-N 3.46Å
584K33.5Very low37Very low197 Ų197143 Ų14386%0.85783%0.826SS**  trans-92.7106.6-179.3-174.8-177.3-178.6-174.60109.2T582T582-K584 PolarHBondContact O-N 3.5Å
585T40.5Very low36.6Very low138 Ų138143.7 Ų143.785%0.84783%0.826SS**  trans-69.1134.8178.9-34.60000110.9
586E33.5Very low36.8Very low187 Ų187144.4 Ų144.487%0.87482%0.821SS**  trans-86.8121.6-174.9-57.7-171.4151.200111.2
587G38.1Very low36.9Very low71 Ų71147.7 Ų147.773%0.73283%0.826SS**  trans-98.6107.6179.600000111.7
588L34.4Very low36.9Very low166 Ų166146.7 Ų146.787%0.86983%0.825SS**  trans-67.6126.3173.3-175.474.4000110.7
589V42.4Very low37.2Very low137 Ų137149.9 Ų149.983%0.8383%0.826SS**  trans-131.1137.6170.9-178.70000109.3
590T39.3Very low37.5Very low111 Ų111149.6 Ų149.668%0.68183%0.827SS**  trans-107.2128.3-169.249.80000113.6
591C36.8Very low37Very low122 Ų122151.9 Ų151.982%0.82483%0.831SS**  trans56.9153.9141.1-61.40000122.4
592E38.5Very low37.3Very low164 Ų164153.8 Ų153.877%0.76684%0.835SS**  trans64.4138179.1-81.6-1678700116.5
593K40.5Very low37.5Very low246 Ų246155.8 Ų155.8100%1.0784%0.837SS**  cis-14407.6-163.8-179.4-161.893.80112.1

Retrieved 593 of 593 residues in 66.4 ms (Link to these results)