A0A5K4EYD9_SCHMA Loading...

Homeobox protein cut-like

AlphaFold DB , UniProt , Accession A0A5K4EYD9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 817 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 low39.2Very low238 Ų238165.6 Ų165.6100%1.17284%0.841SS**  0123.60-61.5174.2-151.400106.3
2I34.3Very low39.2Very low151 Ų151167.5 Ų167.577%0.77484%0.839SS**  trans-142.4129.9-179.2-60.2175.2000104.5
3F41.7Very low38.9Very low182 Ų182161.9 Ų161.980%0.79883%0.826SS**  trans-107.5110.3162-79.2-86.4000104.9
4E40.6Very low39Very low159 Ų159162.1 Ų162.174%0.74383%0.83SS**  75.5106.980-74.6-179.7172.200111
5S39.3Very low38.5Very low111 Ų111161.6 Ų161.678%0.77683%0.83SS**  trans-121.7116.6169.948.30000107D7S5-D7 PolarHBondContact O-N 3.24Å
6E48.7Very low38.6Very low185 Ų185160.6 Ų160.686%0.86483%0.834SS**  trans-85.797.4-174.5-66.3-174.2115.700111.7N8E6-N8 PolarHBondContact O-N 3.33Å
7D40.2Very low38.2Very low168 Ų168158.1 Ų158.190%0.89883%0.833SS**  trans-74.3116.3160.1-80-45.4000109.4S5S5-D7 PolarHBondContact O-N 3.24Å
8N38.8Very low38.1Very low134 Ų134163.3 Ų163.372%0.71784%0.84SS**  trans-133.381.3-177.7-163.1-5.3000112.5E6E6-N8 PolarHBondContact O-N 3.33Å
9W36Very low38.1Very low253 Ų253163.8 Ų163.896%0.95884%0.835SS**  trans-130.6109.5169.7-94.572.3000110.4
10N34Very low37.9Very low150 Ų150163.9 Ų163.980%0.80283%0.832SS**  trans-14791.1178-171.4-3.3000111.8
11A38.6Very low37.7Very low91 Ų91161.2 Ų161.275%0.75283%0.828SS**  trans-146.675.4-179.600000113.3
12K39Very low37.5Very low188 Ų188158 Ų15882%0.81781%0.814SS**  trans30.1103.2149.3-72.1174.6177.1171.80119.3
13S35.3Very low37.5Very low95 Ų95155.3 Ų155.366%0.66481%0.808SS**  31.9119.8121.462.20000119.9
14N40.1Very low37Very low165 Ų165154.5 Ų154.588%0.88281%0.811SS**  -163.7144.6105.3-96.4-23.2000112.7
15N31Very low36.8Very low154 Ų154154.4 Ų154.482%0.82481%0.814SS**  trans-87.1142.4177.9-100.9-38.4000111.8
16T40.1Very low36.6Very low146 Ų146153.8 Ų153.890%0.89681%0.81SS**  trans-166.1135.71346.50000110.9
17S32.3Very low36Very low118 Ų118151.3 Ų151.383%0.82581%0.81SS**  trans-82.6134.2-173.2-46.60000113.2
18R36.5Very low35.8Very low252 Ų252149.4 Ų149.495%0.95180%0.804SS**  trans-146164.3143.7-116.5175.7-175.8-159.2-1111.3
19K37.3Very low35.4Very low173 Ų173150 Ų15075%0.75281%0.813SS**  trans-108.6164.2-156.8-60.4177.1178.6179.30113.4
20H33.9Very low35.4Very low165 Ų165143 Ų14376%0.76480%0.803SS**  trans92.4149154.8-57.9-68.2000119.7
21S35Very low35.4Very low108 Ų108141.8 Ų141.876%0.75581%0.806SS**  trans58.695.6165.8400000117.9
22I34.2Very low35.5Very low170 Ų170145.3 Ų145.387%0.87281%0.811SS**  trans-91.7109.5149.6-62.2175.4000106.9
23S35.2Very low35.4Very low95 Ų95145.3 Ų145.366%0.66481%0.813SS**  trans-95.3130168.5-620000108.9L25S23-L25 PolarHBondContact O-N 2.72Å
24I31.1Very low35.2Very low165 Ų165146.3 Ų146.385%0.84682%0.821SS**  trans-74.4117.9177.3-58.9169.4000108.1
25L35.2Very low35.1Very low156 Ų156147 Ų14782%0.81782%0.822SS**  trans-114.7129.9172.2-113.373.5000110.6S23S23-L25 PolarHBondContact O-N 2.72Å
26S35.1Very low35.3Very low99 Ų99143 Ų14369%0.69282%0.817SS**  trans-71.8151.4173.8-49.90000111.3T28S26-T28 PolarHBondContact O-N 3.33Å; S26-T28 VanDerWaalsContact O-N 3.15Å
27P36.1Very low35Very low132 Ų132145.3 Ų145.386%0.85782%0.818SS**  trans-74106.1179.429.5-34.1000111.7
28T36.2Very low35Very low128 Ų128147.4 Ų147.479%0.78582%0.82SS**  trans-84.7126.5164.749.40000110.3S26S26-T28 PolarHBondContact O-N 3.33Å; S26-T28 VanDerWaalsContact O-N 3.15Å
29T30.6Very low35Very low147 Ų147139.9 Ų139.990%0.90280%0.803SS**  trans-70125.1172.849.80000111.3
30S36.5Very low34.8Very low105 Ų105138.7 Ų138.773%0.73481%0.805SS**  trans-129.4119.5169.552.70000111.2
31S35Very low34.9Very low125 Ų125137.3 Ų137.387%0.87480%0.804SS**  trans-65.4146.8171.9-540000110.8
32I40.5Very low34.8Very low166 Ų166138.7 Ų138.785%0.85180%0.803SS**  trans-107129.6173.4-65.4177.7000108.9
33E36.6Very low34.7Very low187 Ų187137.7 Ų137.787%0.87480%0.797SS**  trans-80.4161.5-179.5-64.5-175.7121.700113.1
34S30.5Very low34.6Very low117 Ų117137.9 Ų137.982%0.81880%0.799SS**  trans-99.8124.9-172.957.70000114
35I37.5Very low34.5Very low178 Ų178135 Ų13591%0.91379%0.793SS**  trans-140.6134.9164.4-53177.9000107.1
36G35.8Very low34.2Very low70 Ų70133.2 Ų133.272%0.72279%0.794SS**  cis-167.2179-1.900000111.3
37H33.4Very low34.2Very low195 Ų195133.1 Ų133.190%0.90380%0.799SS**  trans-73.6150.9-174-69.2-51.4000115.4
38N33.5Very low33.9Very low163 Ų163134.3 Ų134.387%0.87280%0.797SS**  -153.9134.4122.9-143.23.5000110.8
39P35.7Very low33.9Very low93 Ų93136.1 Ų136.160%0.60480%0.802SS**  trans-102.6160.6-177.938.2-33.1000113.5
40N33.6Very low34Very low148 Ų148139.1 Ų139.179%0.79180%0.797SS**  176.5162.6128.4-96.4-37.7000114.8
41N36Very low33.9Very low136 Ų136142.9 Ų142.973%0.72781%0.805SS**  trans73.274.6156.1-63.4-11.1000120.9
42N33.5Very low33.9Very low138 Ų138141.4 Ų141.474%0.73879%0.79SS**  47.2127.8106.3-74.4-10000122.6
43I31.7Very low33.7Very low148 Ų148141.1 Ų141.176%0.75979%0.79SS**  trans90.7136.8130.1-70.1168.6000119.9
44S32.1Very low33.8Very low99 Ų99139.3 Ų139.369%0.69278%0.782SS**  trans77.491.2161.7-72.10000121.2
45S29.8Very low33.8Very low104 Ų104138.7 Ų138.773%0.72778%0.778SS**  67.3123.1111.9-55.60000122.3
46S29.5Very low33.6Very low119 Ų119139 Ų13983%0.83277%0.772SS**  trans56.885.8138.264.10000119.2
47A34.6Very low33.5Very low98 Ų98145.6 Ų145.681%0.8178%0.781SS**  trans-138.2108.8144.500000110.7N49A47-N49 PolarHBondContact O-N 3.41Å
48I30Very low33.4Very low157 Ų157143.3 Ų143.381%0.80578%0.776SS**  trans-50129.5165.5-65.5157.7000109.3
49N36.8Very low33.3Very low166 Ų166142.6 Ų142.689%0.88877%0.772SS**  trans-143.3136.8155.3-121.2-28.4000111.3A47A47-N49 PolarHBondContact O-N 3.41Å
50R31.3Very low33.2Very low210 Ų210146.8 Ų146.879%0.79279%0.789SS**  trans-97.4134.8-173.2-60.9172.5178.9169-2.2109.7
51M34.6Very low32.9Very low184 Ų184145.2 Ų145.291%0.90679%0.789SS**  trans-125.999.6154.2-74-1677100109.1N53M51-N53 PolarHBondContact O-N 3.43Å
52T34.7Very low32.7Very low93 Ų93143.9 Ų143.957%0.57179%0.79SS**  trans-84.6100.9178.639.90000110.3H54T52-H54 PolarHBondContact O-CD2 3.3Å; T52-H54 PolarHBondContact O-N 2.69Å; T52-H54 PolarHBondContact OG1-NE2 3.31Å
53N37Very low32.7Very low160 Ų160147 Ų14786%0.85680%0.801SS**  trans-70.1100.2163.8-76.2-14.8000108.5M51 S55M51-N53 PolarHBondContact O-N 3.43Å; N53-S55 PolarHBondContact O-N 2.84Å
54H37.4Very low32.5Very low150 Ų150149.7 Ų149.769%0.69480%0.803SS**  trans-73112.3-179.1-75.5-84.8000110.9T52 K56T52-H54 PolarHBondContact O-CD2 3.3Å; T52-H54 PolarHBondContact O-N 2.69Å; T52-H54 PolarHBondContact OG1-NE2 3.31Å; H54-K56 PolarHBondContact O-N 3.04Å
55S31.2Very low32.5Very low104 Ų104151.9 Ų151.973%0.72781%0.807SS**  trans-61.9132159-175.60000109.6N53N53-S55 PolarHBondContact O-N 2.84Å
56K33.7Very low32.6Very low183 Ų183151.5 Ų151.580%0.79680%0.801SS**  trans-148.388166.8-81.7-167.7175.5-1750108.5H54H54-K56 PolarHBondContact O-N 3.04Å
57F32.8Very low32.7Very low209 Ų209149.6 Ų149.692%0.91779%0.788SS**  trans-16968.2147.4-96.7-58.2000110.1
58D31.7Very low32.8Very low148 Ų148152.7 Ų152.779%0.79179%0.786SS**  trans-136.1162.6164.4-86.7-57000108.1
59N32.5Very low33Very low148 Ų148152 Ų15279%0.79178%0.784SS**  trans70.982.8-175.4-58.6-19.5000117
60L31.9Very low32.9Very low181 Ų181155.2 Ų155.295%0.94878%0.783SS**  trans-138.465.2139.8-84.9-170000111.6
61S28.2Very low32.6Very low114 Ų114157 Ų15780%0.79779%0.79SS**  trans-154.3136.5152.8-77.10000106.1
62S31.5Very low32.5Very low109 Ų109152.9 Ų152.976%0.76278%0.779SS**  cis-155.1144.24.852.80000109.5
63E33.6Very low32.6Very low204 Ų204154.4 Ų154.495%0.95379%0.791SS**  trans-155.9151.6150.1-127.4163.1-149.400113.5
64Y27.1Very low32.9Very low203 Ų203155.2 Ų155.280%0.79679%0.79SS**  trans-116117-169.9170.7-88.3000108.2P66Y64-P66 HydrophobicContact CD1-CG 4.3Å; Y64-P66 HydrophobicContact CE1-CG 3.73Å
65N33Very low32.8Very low146 Ų146155.7 Ų155.778%0.78179%0.792SS**  trans-139.698.2-179.5-161.4-18.7000112.1
66P32.2Very low32.8Very low95 Ų95159.8 Ų159.862%0.61780%0.797SS**  trans-9990.1-174.436.4-32.7000112.7Y64Y64-P66 HydrophobicContact CD1-CG 4.3Å; Y64-P66 HydrophobicContact CE1-CG 3.73Å
67S31Very low32.7Very low79 Ų79158.9 Ų158.955%0.55280%0.801SS**  trans-159.4147.5162.757.30000113.2
68H35.8Very low32.5Very low164 Ų164154.8 Ų154.876%0.75979%0.788SS**  trans63.9138.4173.2-55.8-62.5000117.7
69N35.4Very low32.6Very low142 Ų142154.1 Ų154.176%0.75979%0.785SS**  cis-149.4156.3-10.9-110.7-12.7000111.3
70R33.5Very low32.6Very low234 Ų234152.5 Ų152.588%0.88378%0.776SS**  trans-46.3147.6-175.6-71.6166.9158.1-118.70.6116.5
71W25.1Very low32.7Very low248 Ų248149.7 Ų149.794%0.93976%0.762SS**  trans-65.1146.1150.9-63.4-15.3000111.6
72S34Very low33Very low96 Ų96150.6 Ų150.667%0.67176%0.758SS**  trans-177.9122.1141-106.70000110.7
73P35.1Very low33.3Very low126 Ų126151.2 Ų151.282%0.81875%0.753SS**  trans-100.3102.9161.832.3-22.1000110
74E43.8Very low33.3Very low177 Ų177148.3 Ų148.383%0.82774%0.744SS**  trans-96.4153.8174.6-73.6-174174.600112.5
75H34.8Very low33.7Very low159 Ų159148.4 Ų148.474%0.73675%0.748SS**  trans-93.7163.5-175-80.6-114.2000113.1
76F32.5Very low33.8Very low191 Ų191145.7 Ų145.784%0.83875%0.746SS**  trans59.3117.9160.3-64-68.5000118.6
77N31.8Very low33.9Very low164 Ų164146.6 Ų146.688%0.87776%0.755SS**  -147.1163.6100.6-147.3-15.1000111.9
78N28.8Very low33.9Very low122 Ų122151.1 Ų151.165%0.65277%0.772SS**  trans-127.4126.1-171.6169.227.7000109.6
79N32.8Very low33.9Very low134 Ų134148.3 Ų148.372%0.71777%0.772SS**  trans-167.4125.6150-111.9-40.8000116.1
80N33.4Very low33.7Very low115 Ų115149.4 Ų149.462%0.61578%0.777SS**  53.4120.9129.8-77.1-12.1000123.3
81N32.8Very low33.8Very low121 Ų121149.2 Ų149.265%0.64778%0.777SS**  68.3104.9123.8-58.4-15.7000120.1
82N36Very low34.2Very low134 Ų134145.9 Ų145.972%0.71777%0.771SS**  164.5147.585.5-96.9-27.1000115.1
83N36.8Very low34.3Very low122 Ų122146.7 Ų146.765%0.65277%0.772SS**  trans66.9103.7147.8-63.3-24.6000122.2
84N34Very low34.4Very low142 Ų142146.9 Ų146.976%0.75977%0.774SS**  58.8107.6121.8-57.4-30.5000120.6
85K35.5Very low33.8Very low206 Ų206145.8 Ų145.890%0.89677%0.773SS**  -173.8138.1101.8-105171.3-179.3175.40114.6
86A34.1Very low33.9Very low89 Ų89146.8 Ų146.874%0.73678%0.776SS**  trans61146.7149.600000119.9
87S35.3Very low34.2Very low114 Ų114149.3 Ų149.380%0.79778%0.781SS**  cis-163.2144.6-19.9-99.60000109.5
88N30.4Very low34.2Very low173 Ų173147.7 Ų147.793%0.92577%0.772SS**  trans-67.1135.3164.8-91.2-26.5000110.7
89S36.4Very low34.6Very low106 Ų106148.4 Ų148.474%0.74178%0.781SS**  trans-150.8113.5159.9-171.70000110.6
90N29.8Very low34.4Very low165 Ų165148.1 Ų148.188%0.88278%0.778SS**  trans-116.7105.6172.4-177.35000107
91R35.7Very low34.4Very low230 Ų230149.9 Ų149.987%0.86879%0.787SS**  trans-144.6140.3-177.1-81.6-163.7171.1-162-2.4114.6
92H34.4Very low34.5Very low178 Ų178148.6 Ų148.682%0.82479%0.786SS**  trans-46.3142.4179.6-82.3-34.8000118.8
93T35.2Very low34.1Very low113 Ų113151.7 Ų151.769%0.69379%0.789SS**  15.7151.6127.868.30000120.5
94P38.3Very low34Very low130 Ų130155.8 Ų155.884%0.84480%0.796SS**  -131.2153.3107.637.7-31.8000115.3
95N30.3Very low33.6Very low154 Ų154155.2 Ų155.282%0.82479%0.794SS**  trans-83.8147.5169.2-100.8-34.8000111.6
96K37.8Very low33.3Very low180 Ų180152.9 Ų152.978%0.78379%0.788SS**  trans149.2122.9131.1-84.3170-178-178.80112.6
97Y39.1Very low33.4Very low243 Ų243156.3 Ų156.395%0.95379%0.789SS**  -146.9140.9120.8-96.7-74.2000108.4
98L30.9Very low33.1Very low131 Ų131158 Ų15869%0.68679%0.788SS**  trans-124.5133.6-177.1-98.673.6000110I100L98-I100 HydrophobicContact CD2-CD1 4.26Å
99T36.8Very low33.3Very low137 Ų137154.8 Ų154.884%0.8478%0.78SS**  trans-170.211614520.80000105.6
100I29.9Very low33Very low127 Ų127157.1 Ų157.165%0.65178%0.784SS**  cis63.194.147.9-50.8179.2000112.3L98L98-I100 HydrophobicContact CD2-CD1 4.26Å
101N32.7Very low33.1Very low152 Ų152153.6 Ų153.681%0.81378%0.778SS**  -162.6151.4104.6-119.9-5.9000112.5
102P35.7Very low32.7Very low95 Ų95148.6 Ų148.662%0.61778%0.778SS**  trans-107.3170.1172.539.1-30.3000112.8
103Y27.1Very low32.6Very low199 Ų199144.6 Ų144.678%0.7877%0.77SS**  trans160163135.9-106.4-90.8000111.8
104Y33.7Very low32.4Very low207 Ų207144.5 Ų144.581%0.81277%0.774SS**  trans71.8114.8177.2-63.1-71.3000113.9
105N27.4Very low32.1Very low131 Ų131147.6 Ų147.670%0.70178%0.777SS**  cis54.2130.831.8-662.2000112.6
106M28.9Very low32.2Very low156 Ų156147 Ų14777%0.76878%0.779SS**  cis-158178.824.5-132.9146.9174.600111.2
107E35.5Very low31.9Very low162 Ų162147.4 Ų147.476%0.75778%0.781SS**  trans7693.2156.8-71153.7-13800120.2
108D28.9Very low31.6Very low148 Ų148143.8 Ų143.879%0.79178%0.776SS**  33113.3107.5-57.5-53.2000120.3
109S35.3Very low31.8Very low106 Ų106145 Ų14574%0.74178%0.778SS**  176125.2113.7-81.30000114.5
110N29.2Very low31.5Very low156 Ų156146.3 Ų146.383%0.83478%0.778SS**  26.8132128.7-58.3-37000119.2
111A31.2Very low31.8Very low91 Ų91147.2 Ų147.275%0.75278%0.784SS**  cis-171.5166.512.300000113
112S29Very low31.8Very low125 Ų125148.9 Ų148.987%0.87478%0.784SS**  trans68.9137.8158-142.40000117.9
113S31.9Very low31.7Very low94 Ų94149.5 Ų149.566%0.65779%0.791SS**  cis-144.8133.48.459.40000113.7
114S30.9Very low32.1Very low110 Ų110146.7 Ų146.777%0.76979%0.788SS**  trans31.3106.5148.4600000121
115E31Very low32.3Very low195 Ų195143.9 Ų143.991%0.91179%0.787SS**  trans-114.4128.7142.7-75.1-168.2138.300109.6
116T33.9Very low32.5Very low141 Ų141144.5 Ų144.587%0.86579%0.79SS**  trans-88.2106.8176.337.40000111.9
117K31.6Very low32.7Very low189 Ų189145 Ų14582%0.82280%0.796SS**PPolyproline II helixtrans-67.2129169.1-71.8177.7177173.60111.2
118I31.4Very low32.5Very low168 Ų168140.8 Ų140.886%0.86280%0.796SS**PPolyproline II helixtrans-81.7120.8159.1-64.9173.8000107.5
119Q35.6Very low33Very low156 Ų156141.1 Ų141.173%0.72980%0.803SS**PPolyproline II helixtrans-93.2145.2172.5-77.4-174-23.500111.2L121Q119-L121 HydrophobicContact CB-CD1 4.36Å
120I31.3Very low32.9Very low164 Ų164139.7 Ų139.784%0.84181%0.805SS**PPolyproline II helixtrans-83.8121.4171.9-60.2167.9000108.4
121L35.8Very low33.1Very low147 Ų147138.3 Ų138.377%0.7781%0.808SS**  trans-128.4147.2157.8-81.697.1000110.4Q119Q119-L121 HydrophobicContact CB-CD1 4.36Å
122K33.7Very low33.2Very low187 Ų187136.5 Ų136.581%0.81380%0.798SS**  trans-95.6174166.2-70-179.5174.4-179.10109.1
123S33.4Very low33.3Very low108 Ų108141.2 Ų141.276%0.75580%0.803SS**  trans81145.8162.9-43.60000113.9
124I35.7Very low33.2Very low140 Ų140143.1 Ų143.172%0.71881%0.811SS**  cis-161.4158.7-10.5-124.4167.8000110
125D35.9Very low33.2Very low147 Ų147143.4 Ų143.479%0.78681%0.813SS**  trans59.2156.9162.1-63.7-9.2000123.2
126N32.5Very low33Very low144 Ų144139.3 Ų139.377%0.7781%0.805SS**  trans-82.4151.8177.7-49.6-56.5000111.8
127D33.2Very low32.9Very low166 Ų166138.2 Ų138.289%0.88880%0.798SS**  161.9137.9107.8-90.2-28.3000110.1
128G32.3Very low32.9Very low75 Ų75134.8 Ų134.877%0.77380%0.797SS**  trans170.484-177.200000116.8
129V39.2Very low32.9Very low154 Ų154130.7 Ų130.793%0.93380%0.797SS**  trans-22141.6159.9-71.70000118.2
130G31.9Very low32.6Very low76 Ų76130.4 Ų130.478%0.78480%0.8SS**  trans-178.6105.2166.600000115.9
131S34.3Very low32.7Very low128 Ų128130.2 Ų130.290%0.89580%0.799SS**  trans-52.9143.3168.9-170.20000111.9
132G31.9Very low32.6Very low52 Ų52126.8 Ų126.854%0.53680%0.8SS.*  cis118.2124.79.200000111.1
133F31.9Very low32.5Very low224 Ų224127 Ų12798%0.98280%0.804SS**  trans-147.4140.8168.4-93.4-71.9000110.5
134T29.1Very low32.6Very low135 Ų135130 Ų13083%0.82881%0.809SS**  trans-119.4138.5-175.150.90000111.6
135S31.4Very low32.4Very low115 Ų115126.1 Ų126.180%0.80480%0.804SS**  trans-168.6162135.654.30000112.5
136C26.5Very low32.3Very low110 Ų110125.4 Ų125.474%0.74381%0.805SS**  trans-36.3160.3169.157.40000116.6
137T32.4Very low32.2Very low117 Ų117125.2 Ų125.272%0.71880%0.802SS**  cis-141.1126.32743.50000111.4
138S30.8Very low32.2Very low117 Ų117123.2 Ų123.282%0.81880%0.801SS**  47.288.486.172.50000115.7
139G32.8Very low32.2Very low82 Ų82125.3 Ų125.385%0.84580%0.799SS**  trans-150.2117.3164.800000108.6
140N29.5Very low31.8Very low151 Ų151125.1 Ų125.181%0.80779%0.793SS**  trans-137.6162.9-162.1-165.512000111.6
141I31.8Very low32.1Very low159 Ų159128.4 Ų128.482%0.81579%0.791SS**  trans75.4120.8170.1-56155.8000115.3
142G34Very low32Very low76 Ų76129.1 Ų129.178%0.78479%0.785SS**  trans-169.922.3173.400000113.3
143Q32.5Very low31.9Very low192 Ų192133.7 Ų133.790%0.89780%0.797SS**  trans-78.3126.1179.4-80.7-174.6-20.900111.3
144I35Very low32.1Very low169 Ų169130 Ų13087%0.86779%0.787SS**  trans-124.9107159.2-65.3179.1000106.9
145G32.3Very low32.4Very low59 Ų59129.3 Ų129.361%0.60878%0.779SS**  trans-85.1-158.7159.200000109.9
146V34Very low32.5Very low133 Ų133130.1 Ų130.181%0.80677%0.774SS**  cis-147.4150.44-172.70000103.2
147I29.6Very low32.9Very low140 Ų140131.2 Ų131.272%0.71877%0.772SS**  -175.9130.884.5-75.2151.7000107.7
148S33.4Very low33Very low123 Ų123131.8 Ų131.886%0.8677%0.771SS**  trans-155.1104.8142.6-92.60000106.8
149T32.3Very low33.1Very low119 Ų119132.4 Ų132.473%0.7377%0.765SS**  trans-70.9126.1-179.343.10000110.7
150N30.8Very low33.4Very low150 Ų150135.4 Ų135.480%0.80276%0.762SS**  trans-116.697.7158.4-165.6-4.3000108
151I37.7Very low33.6Very low145 Ų145132.5 Ų132.574%0.74476%0.759SS**  trans-87.8111.6176.7-62.9171000106.6
152N32.1Very low33.8Very low143 Ų143132.7 Ų132.777%0.76576%0.76SS**  trans-149.891.4169.1-135.31000110.1
153N30.9Very low34Very low149 Ų149133.4 Ų133.480%0.79776%0.758SS**  trans-167.3145.1157.6-102-13.7000108.3
154N35.1Very low34.1Very low145 Ų145131.7 Ų131.778%0.77576%0.755SS**  trans94.2136.9-170-63.719.4000114.6
155D34.9Very low34.3Very low122 Ų122129.7 Ų129.765%0.65275%0.754SS**  cis178.9140.3-28.7-1169.2000106.2
156N34.8Very low34.4Very low131 Ų131132.8 Ų132.870%0.70176%0.76SS**  trans55.7119.3161.1-51.1-49.2000116.7
157N33.8Very low34.5Very low133 Ų133132.5 Ų132.571%0.71176%0.759SS**  -179.1154.753.9-108.2-37.6000111.4
158N35.7Very low34.7Very low129 Ų129132 Ų13269%0.6976%0.758SS**  trans24.2152137.7-65.3-34.8000122.7
159N33.4Very low34.7Very low130 Ų130132.9 Ų132.970%0.69575%0.753SS**  cis174.3169.2-27.7-114.5-40.7000107.5
160N38.2Very low34.7Very low145 Ų145133.4 Ų133.478%0.77576%0.756SS**  trans70.4126.2176.5-46.3-26.9000114.6
161A33.9Very low34.9Very low90 Ų90131.2 Ų131.274%0.74475%0.752SS**  cis81.6141.811.900000118.1
162I35.5Very low34.6Very low163 Ų163131.6 Ų131.684%0.83676%0.756SS**  trans103.7112162.8-57.1171.3000118.6
163A38.9Very low34.7Very low91 Ų91128.8 Ų128.875%0.75275%0.747SS**  trans67.6136146.800000123.8
164N34.8Very low35Very low156 Ų156128 Ų12883%0.83474%0.743SS**  trans-68.5159.4159.1-61.6-26.3000110.8
165P38.3Very low35Very low128 Ų128127.4 Ų127.483%0.83174%0.74SS**  -138165.994.838.7-28.1000115.9
166V34.2Very low35.2Very low123 Ų123128.7 Ų128.775%0.74575%0.747SS**  trans-66.4133.1177179.60000112
167T36.9Very low35.2Very low127 Ų127130 Ų13078%0.77975%0.754SS**  -180123.7120.334.10000114.3
168N33.8Very low35.7Very low131 Ų131131.9 Ų131.970%0.70176%0.756SS**  trans28.5122.8136.9-61.22.3000122.3
169N33.4Very low36Very low141 Ų141131.5 Ų131.575%0.75475%0.754SS**  81.3126.9128-64.30.6000122.1
170T32.6Very low36.9Very low130 Ų130131.1 Ų131.180%0.79875%0.751SS**  trans92.7119.5150-23.90000117.6
171S33.8Very low37.5Very low103 Ų103130.4 Ų130.472%0.7275%0.747SS**  trans-10.2144.6152.2-38.30000116.4
172N32.5Very low38.2Very low154 Ų154130.4 Ų130.482%0.82474%0.74SS**  cis-168.2165.647.9-148.92000113.8
173S34.4Very low38.9Very low83 Ų83129.3 Ų129.358%0.5873%0.73SS**  trans65.9109.7147.3174.60000120.7
174N36.4Very low39.6Very low133 Ų133130.9 Ų130.971%0.71172%0.721SS**  trans70.892.8133.8-60.52.9000120.2
175N34.8Very low40.7Very low133 Ų133132.2 Ų132.271%0.71172%0.716SS**  157.3147.685.3-87.2-14.2000113.6
176N39.8Very low42.3Very low148 Ų148130.1 Ų130.179%0.79170%0.703SS**  trans60.857.7156.2-55.4-4.7000118.2
177N35.3Very low43.9Very low160 Ų160129.7 Ų129.786%0.85670%0.695SS**  trans-97.6128.4147.6-11813.1000108.4
178F42.7Very low45.7Very low172 Ų172132 Ų13275%0.75469%0.69SS**  trans-87.7116.9172.6-106.4-100.4000108.8I180F178-I180 PolarHBondContact O-N 2.81Å
179D42.7Very low47.9Very low120 Ų120131 Ų13164%0.64268%0.681SS**  trans-72.292.8171.6-79-30.7000110.2D181 C182D179-D181 PolarHBondContact O-N 3.12Å; D179-C182 HydrophobicContact CB-CB 4.28Å; D179-C182 VanDerWaalsContact O-CB 3.23Å; D179-C182 WeakPolarHBondContact O-CB 3.28Å; D179-C182 PolarHBondContact O-N 3.44Å; D179-C182 VanDerWaalsContact O-N 3.07Å
180I51.9Low50.1Low122 Ų122126.7 Ų126.763%0.62667%0.665SS**THydrogen-bonded Turntrans-58.2-32.7176.4-64.3175.5000111F178 C182 F183 H184F178-I180 PolarHBondContact O-N 2.81Å; I180-C182 PolarHBondContact O-N 3.46Å; I180-F183 PolarHBondContact O-N 2.83Å; I180-F183 VanDerWaalsContact O-N 3.14Å; I180-H184 PolarHBondContact O-N 2.86Å
181D50.8Low52.3Low130 Ų130127.2 Ų127.270%0.69566%0.66SS**Hα-helixtrans-61.4-25.7177-67.4-34.9000113.5D179 F183 H184D179-D181 PolarHBondContact O-N 3.12Å; D181-F183 VanDerWaalsContact C-N 3.26Å; D181-F183 PolarHBondContact O-N 3.18Å; D181-H184 PolarHBondContact O-N 2.96Å
182C48.7Very low54.8Low90 Ų90125 Ų12561%0.60864%0.64SS**Hα-helixtrans-64.8-30.2177.4-165.90000112.4D179 I180 P186D179-C182 HydrophobicContact CB-CB 4.28Å; D179-C182 VanDerWaalsContact O-CB 3.23Å; D179-C182 WeakPolarHBondContact O-CB 3.28Å; D179-C182 PolarHBondContact O-N 3.44Å; D179-C182 VanDerWaalsContact O-N 3.07Å; I180-C182 PolarHBondContact O-N 3.46Å; C182-P186 WeakPolarHBondContact O-CD 3.44Å
183F50.7Low57.6Low140 Ų140121.3 Ų121.361%0.61462%0.618SS**Hα-helixtrans-92.7-19.9179.7-69-82.6000113.8I180 D181I180-F183 PolarHBondContact O-N 2.83Å; I180-F183 VanDerWaalsContact O-N 3.14Å; D181-F183 VanDerWaalsContact C-N 3.26Å; D181-F183 PolarHBondContact O-N 3.18Å
184H54.4Low60.2Low124 Ų124123 Ų12357%0.57462%0.62SS**Hα-helixtrans-76.6-32179.5-104.5-59.5000113.7I180 D181 R188I180-H184 PolarHBondContact O-N 2.86Å; D181-H184 PolarHBondContact O-N 2.96Å; H184-R188 WeakPolarHBondContact O-CB 3.34Å; H184-R188 PolarHBondContact O-N 3.13Å; H184-R188 VanDerWaalsContact O-N 3.12Å
185Y56.1Low62.9Low185 Ų185121.2 Ų121.273%0.72561%0.61SS**Hα-helixtrans-63.8-48.1-178.3-143.4-79.4000113.2L187 R188 E189Y185-L187 PolarHBondContact O-N 3.31Å; Y185-R188 PolarHBondContact O-N 3.09Å; Y185-E189 PolarHBondContact O-N 3.01Å; Y185-E189 VanDerWaalsContact O-N 3.08Å
186P71.7Confident65.6Low84 Ų84118.2 Ų118.255%0.54559%0.593SS.*Hα-helixtrans-62.9-37.9178.7-23.835.6000113.8C182 E189 A190C182-P186 WeakPolarHBondContact O-CD 3.44Å; P186-E189 PolarHBondContact O-N 3.41Å; P186-A190 PolarHBondContact O-N 2.98Å
187L68.3Low68.1Low113 Ų113114.5 Ų114.559%0.59257%0.574SS**Hα-helixtrans-66.9-39.7177.4-76.6169.3000112.1Y185 E189 A190 M191Y185-L187 PolarHBondContact O-N 3.31Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-A190 PolarHBondContact O-N 2.85Å; L187-M191 PolarHBondContact O-N 2.9Å; L187-M191 VanDerWaalsContact O-N 3.11Å
188R75.2Confident70.9Confident177 Ų177111.5 Ų111.567%0.66856%0.557SS**Hα-helixtrans-65.4-38.9176.7-161.9173.6-157.6-90.9-2.3111.5H184 Y185 M191 N192H184-R188 WeakPolarHBondContact O-CB 3.34Å; H184-R188 PolarHBondContact O-N 3.13Å; H184-R188 VanDerWaalsContact O-N 3.12Å; Y185-R188 PolarHBondContact O-N 3.09Å; R188-M191 PolarHBondContact O-N 3.31Å; R188-N192 PolarHBondContact O-N 2.86Å; R188-N192 PolarHBondContact O-ND2 3.41Å
189E79.7Confident73.5Confident109 Ų109107.2 Ų107.251%0.50954%0.541SS..Hα-helixtrans-72.3-35.3178.5-160.365.5173.900112.7Y185 P186 L187 N192 Q193Y185-E189 PolarHBondContact O-N 3.01Å; Y185-E189 VanDerWaalsContact O-N 3.08Å; P186-E189 PolarHBondContact O-N 3.41Å; L187-E189 VanDerWaalsContact C-N 3.32Å; E189-N192 WeakPolarHBondContact O-CB 3.46Å; E189-N192 PolarHBondContact O-N 2.98Å; E189-N192 PolarHBondContact OE2-ND2 3.25Å; E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 2.87Å
190A78.7Confident75.9Confident50 Ų50107.9 Ų107.941%0.41354%0.535SS..Hα-helixtrans-59.6-47.4169.900000111.9P186 L187 N192 Q193 D194P186-A190 PolarHBondContact O-N 2.98Å; L187-A190 PolarHBondContact O-N 2.85Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 2.84Å; A190-Q193 PolarHBondContact O-N 3.36Å; A190-Q193 VanDerWaalsContact O-N 3.14Å; A190-D194 PolarHBondContact O-N 3.04Å
191M79.8Confident77.9Confident141 Ų141104.6 Ų104.670%0.69552%0.523SS*.Hα-helixtrans-63.5-36.5175.9-71.4-176.868.400113.3L187 R188 Q193 L195L187-M191 PolarHBondContact O-N 2.9Å; L187-M191 VanDerWaalsContact O-N 3.11Å; R188-M191 PolarHBondContact O-N 3.31Å; M191-Q193 VanDerWaalsContact C-N 3.34Å; M191-L195 WeakPolarHBondContact O-CB 3.3Å; M191-L195 PolarHBondContact O-N 3.32Å; M191-L195 VanDerWaalsContact O-N 3.14Å
192N87.1Confident80Confident57 Ų57103.2 Ų103.231%0.30551%0.512SS..Hα-helixtrans-62.3-43.5172.5-70.1-24.9000110.8R188 E189 A190 L195 I196R188-N192 PolarHBondContact O-N 2.86Å; R188-N192 PolarHBondContact O-ND2 3.41Å; E189-N192 WeakPolarHBondContact O-CB 3.46Å; E189-N192 PolarHBondContact O-N 2.98Å; E189-N192 PolarHBondContact OE2-ND2 3.25Å; A190-N192 VanDerWaalsContact C-N 3.34Å; A190-N192 PolarHBondContact O-N 2.84Å; N192-L195 PolarHBondContact O-N 2.87Å; N192-I196 WeakPolarHBondContact O-CB 3.4Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.23Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 2.95Å
193Q90.2Very high82.2Confident76 Ų76103.5 Ų103.536%0.35551%0.507SS..Hα-helixtrans-67.8-42.4-178.9-1735344.100112.2E189 A190 M191 L195 I196 D197E189-Q193 WeakPolarHBondContact O-CB 3.48Å; E189-Q193 PolarHBondContact O-N 2.87Å; A190-Q193 PolarHBondContact O-N 3.36Å; A190-Q193 VanDerWaalsContact O-N 3.14Å; M191-Q193 VanDerWaalsContact C-N 3.34Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 2.88Å; Q193-I196 WeakPolarHBondContact O-CB 3.2Å; Q193-I196 PolarHBondContact O-N 3.32Å; Q193-D197 PolarHBondContact NE2-OD1 3.41Å; Q193-D197 PolarHBondContact NE2-OD2 3.18Å; Q193-D197 PolarHBondContact O-N 2.88Å
194D89.1Confident84.2Confident118 Ų118100.4 Ų100.463%0.63150%0.502SS*.Hα-helixtrans-58.6-42.2172.7-76.5-23.3000111.7A190 D197 L198A190-D194 PolarHBondContact O-N 3.04Å; D194-D197 PolarHBondContact O-N 3.21Å; D194-L198 WeakPolarHBondContact O-CB 3.3Å; D194-L198 PolarHBondContact O-N 3.46Å
195L92.4Very high86.1Confident96 Ų96100.8 Ų100.850%0.50350%0.502SS..Hα-helixtrans-66.2-41.1175.517860.5000111.8M191 N192 Q193 L198 L199M191-L195 WeakPolarHBondContact O-CB 3.3Å; M191-L195 PolarHBondContact O-N 3.32Å; M191-L195 VanDerWaalsContact O-N 3.14Å; N192-L195 PolarHBondContact O-N 2.87Å; Q193-L195 VanDerWaalsContact C-N 3.32Å; Q193-L195 PolarHBondContact O-N 2.88Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CG 4.32Å; L195-L199 HydrophobicContact CG-CD1 4.13Å; L195-L199 WeakPolarHBondContact O-CB 3.31Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.46Å
196I92.9Very high87.9Confident70 Ų7097.3 Ų97.336%0.35950%0.496SS..Hα-helixtrans-62.1-43.1175.7-75.8163.6000110.8N192 Q193 L199 R200N192-I196 WeakPolarHBondContact O-CB 3.4Å; N192-I196 WeakPolarHBondContact O-CD1 3.45Å; N192-I196 VanDerWaalsContact O-CG1 3.23Å; N192-I196 WeakPolarHBondContact O-CG1 3.39Å; N192-I196 PolarHBondContact O-N 2.95Å; Q193-I196 WeakPolarHBondContact O-CB 3.2Å; Q193-I196 PolarHBondContact O-N 3.32Å; I196-L199 PolarHBondContact O-N 2.86Å; I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.25Å; I196-R200 VanDerWaalsContact O-CG 3.23Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.44Å
197D92.6Very high89Confident71 Ų7198.4 Ų98.438%0.3850%0.496SS..Hα-helixtrans-75.6-30.9-179.9-72.3-29.5000113Q193 D194 R200 S201Q193-D197 PolarHBondContact NE2-OD1 3.41Å; Q193-D197 PolarHBondContact NE2-OD2 3.18Å; Q193-D197 PolarHBondContact O-N 2.88Å; D194-D197 PolarHBondContact O-N 3.21Å; D197-R200 WeakPolarHBondContact OD1-CD 3.27Å; D197-R200 IonicContact OD1-CZ 2.74Å; D197-R200 IonicContact OD1-NE 3.22Å; D197-R200 IonicContact OD1-NH1 3.93Å; D197-R200 PolarHBondContact OD1-NH1 3.49Å; D197-S201 WeakPolarHBondContact O-CB 3.41Å; D197-S201 PolarHBondContact O-N 2.96Å
198L94Very high90.2Very high96 Ų9697.8 Ų97.850%0.50349%0.491SS..Hα-helixtrans-62.2-46.5166.7177.860.7000111.6D194 L195 S201 Q202D194-L198 WeakPolarHBondContact O-CB 3.3Å; D194-L198 PolarHBondContact O-N 3.46Å; L195-L198 PolarHBondContact O-N 3.45Å; L198-S201 WeakPolarHBondContact O-CB 3.44Å; L198-S201 PolarHBondContact O-N 3.25Å; L198-Q202 WeakPolarHBondContact O-CG 3.36Å; L198-Q202 PolarHBondContact O-N 3.46Å
199L95.9Very high91.2Very high82 Ų8294.8 Ų94.843%0.42948%0.484SS..Hα-helixtrans-64.5-41.9177-73.2169.2000111.6L195 I196 S201 Q202 I203L195-L199 HydrophobicContact CD1-CD1 4.22Å; L195-L199 HydrophobicContact CD1-CG 4.32Å; L195-L199 HydrophobicContact CG-CD1 4.13Å; L195-L199 WeakPolarHBondContact O-CB 3.31Å; L195-L199 VanDerWaalsContact O-CG 3.26Å; L195-L199 WeakPolarHBondContact O-CG 3.47Å; L195-L199 PolarHBondContact O-N 3.46Å; I196-L199 PolarHBondContact O-N 2.86Å; L199-S201 PolarHBondContact O-N 2.88Å; L199-Q202 PolarHBondContact O-N 3.37Å; L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.32Å
200R93.8Very high91.9Very high135 Ų13594 Ų9451%0.50948%0.483SS..Hα-helixtrans-57.7-46171.3-74.2161.3173.1174.20.8111.2I196 D197 Q202 I203 S204I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.25Å; I196-R200 VanDerWaalsContact O-CG 3.23Å; I196-R200 WeakPolarHBondContact O-CG 3.39Å; I196-R200 PolarHBondContact O-N 3.44Å; D197-R200 WeakPolarHBondContact OD1-CD 3.27Å; D197-R200 IonicContact OD1-CZ 2.74Å; D197-R200 IonicContact OD1-NE 3.22Å; D197-R200 IonicContact OD1-NH1 3.93Å; D197-R200 PolarHBondContact OD1-NH1 3.49Å; R200-Q202 VanDerWaalsContact C-N 3.34Å; R200-Q202 PolarHBondContact O-N 2.96Å; R200-I203 PolarHBondContact O-N 2.95Å; R200-S204 PolarHBondContact O-N 3.5Å; R200-S204 PolarHBondContact O-OG 2.96Å
201S94.1Very high92.6Very high53 Ų5398 Ų9837%0.37149%0.493SS..Hα-helixtrans-61.2-39.7177.3-170.40000112.7D197 L198 L199 K205D197-S201 WeakPolarHBondContact O-CB 3.41Å; D197-S201 PolarHBondContact O-N 2.96Å; L198-S201 WeakPolarHBondContact O-CB 3.44Å; L198-S201 PolarHBondContact O-N 3.25Å; L199-S201 PolarHBondContact O-N 2.88Å; S201-K205 WeakPolarHBondContact O-CG 3.28Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.16Å
202Q94.6Very high93.3Very high100 Ų10096.7 Ų96.747%0.46748%0.484SS..Hα-helixtrans-67-43.7174.5-71178.62.200111.8L198 L199 R200 K205 L206L198-Q202 WeakPolarHBondContact O-CG 3.36Å; L198-Q202 PolarHBondContact O-N 3.46Å; L199-Q202 PolarHBondContact O-N 3.37Å; R200-Q202 VanDerWaalsContact C-N 3.34Å; R200-Q202 PolarHBondContact O-N 2.96Å; Q202-K205 PolarHBondContact O-N 2.95Å; Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.86Å
203I94.7Very high93.7Very high97 Ų9797.8 Ų97.850%0.49749%0.489SS..Hα-helixtrans-60.9-45175.8-69.4163.5000110.9L199 R200 K205 L206 L207L199-I203 WeakPolarHBondContact O-CB 3.45Å; L199-I203 VanDerWaalsContact O-CG1 3.26Å; L199-I203 WeakPolarHBondContact O-CG1 3.39Å; L199-I203 PolarHBondContact O-N 3.32Å; R200-I203 PolarHBondContact O-N 2.95Å; I203-K205 VanDerWaalsContact C-N 3.35Å; I203-K205 PolarHBondContact O-N 3.01Å; I203-L206 PolarHBondContact O-N 2.99Å; I203-L207 HydrophobicContact CG2-CD1 3.96Å; I203-L207 HydrophobicContact CG2-CG 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.01Å; I203-L207 PolarHBondContact O-N 2.86Å
204S93.9Very high93.9Very high74 Ų7497.7 Ų97.752%0.51749%0.494SS..Hα-helixtrans-59.3-42.4176.4-65.50000112.7R200 L207 E208R200-S204 PolarHBondContact O-N 3.5Å; R200-S204 PolarHBondContact O-OG 2.96Å; S204-L207 PolarHBondContact O-N 2.82Å; S204-E208 PolarHBondContact O-N 3.38Å
205K93.6Very high94.1Very high133 Ų13395.4 Ų95.458%0.57849%0.487SS*.Hα-helixtrans-65.2-41.3176.7-73169.3-179.3171.50112.4S201 Q202 I203 L207 E208 E209S201-K205 WeakPolarHBondContact O-CG 3.28Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.16Å; Q202-K205 PolarHBondContact O-N 2.95Å; I203-K205 VanDerWaalsContact C-N 3.35Å; I203-K205 PolarHBondContact O-N 3.01Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.94Å; K205-E208 PolarHBondContact O-N 3.07Å; K205-E209 PolarHBondContact O-N 3.44Å
206L93.8Very high94.2Very high112 Ų11297.5 Ų97.559%0.58649%0.488SS*.Hα-helixtrans-66.1-34.2176.2-71.3168.7000112.2Q202 I203 N210Q202-L206 WeakPolarHBondContact O-CG 3.42Å; Q202-L206 PolarHBondContact O-N 2.86Å; I203-L206 PolarHBondContact O-N 2.99Å; L206-N210 VanDerWaalsContact O-CB 3.29Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 PolarHBondContact O-N 2.93Å
207L94.9Very high94.2Very high106 Ų10698.3 Ų98.356%0.55549%0.492SS*.Hα-helixtrans-68.7-43.1173.5-70.4170.3000111.9I203 S204 K205 E209 N210 E211I203-L207 HydrophobicContact CG2-CD1 3.96Å; I203-L207 HydrophobicContact CG2-CG 4.42Å; I203-L207 WeakPolarHBondContact O-CG 3.01Å; I203-L207 PolarHBondContact O-N 2.86Å; S204-L207 PolarHBondContact O-N 2.82Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 2.94Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.27Å; L207-N210 PolarHBondContact O-N 3.02Å; L207-E211 PolarHBondContact O-N 3.4Å
208E93.8Very high94.3Very high101 Ų10198.5 Ų98.547%0.47249%0.493SS..Hα-helixtrans-63.3-35.5175.8-162.9-160.215100112.3S204 K205 K212S204-E208 PolarHBondContact O-N 3.38Å; K205-E208 PolarHBondContact O-N 3.07Å; E208-K212 VanDerWaalsContact CD-NZ 3.32Å; E208-K212 WeakPolarHBondContact O-CD 3.34Å; E208-K212 VanDerWaalsContact O-CG 3.29Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact OE1-CE 3.38Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 3.45Å
209E94.6Very high94.3Very high114 Ų11498 Ų9853%0.53349%0.492SS..Hα-helixtrans-70.4-42.2172.8-175.8167.4-157.100112K205 L207 E211 K212 L213K205-E209 PolarHBondContact O-N 3.44Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.27Å; E209-E211 PolarHBondContact O-N 2.8Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-L213 HydrophobicContact CG-CD1 4.27Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 2.9Å
210N94.6Very high94.2Very high91 Ų91100.6 Ų100.649%0.48750%0.496SS..Hα-helixtrans-62.7-42.3177.7-166.28.6000111.9L206 L207 K212 L213 V214L206-N210 VanDerWaalsContact O-CB 3.29Å; L206-N210 WeakPolarHBondContact O-CB 3.29Å; L206-N210 PolarHBondContact O-N 2.93Å; L207-N210 PolarHBondContact O-N 3.02Å; N210-K212 PolarHBondContact O-N 2.92Å; N210-L213 PolarHBondContact O-N 2.88Å; N210-L213 VanDerWaalsContact O-N 3.14Å; N210-V214 WeakPolarHBondContact O-CG2 3.5Å; N210-V214 PolarHBondContact O-N 2.66Å
211E94.8Very high94.2Very high135 Ų135101.7 Ų101.763%0.63150%0.501SS*.Hα-helixtrans-57.1-47.1174.1-174174.9-167.800111.7L207 E209 L213 V214 S215L207-E211 PolarHBondContact O-N 3.4Å; E209-E211 PolarHBondContact O-N 2.8Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.94Å; E211-V214 PolarHBondContact O-N 3.36Å; E211-S215 PolarHBondContact O-N 2.89Å; E211-S215 PolarHBondContact O-OG 2.87Å
212K94.4Very high94.2Very high113 Ų113106.2 Ų106.249%0.49152%0.516SS..Hα-helixtrans-63-33.7176.3-67.9164-170.31660113E208 E209 N210 R216E208-K212 VanDerWaalsContact CD-NZ 3.32Å; E208-K212 WeakPolarHBondContact O-CD 3.34Å; E208-K212 VanDerWaalsContact O-CG 3.29Å; E208-K212 WeakPolarHBondContact O-CG 3.38Å; E208-K212 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact OE1-CE 3.38Å; E208-K212 IonicContact OE1-NZ 2.73Å; E208-K212 PolarHBondContact OE1-NZ 3.45Å; E209-K212 PolarHBondContact O-N 3.31Å; N210-K212 PolarHBondContact O-N 2.92Å; K212-R216 WeakPolarHBondContact O-CB 3.47Å; K212-R216 PolarHBondContact O-N 3.5Å
213L94.1Very high94.1Very high81 Ų81106.6 Ų106.642%0.42452%0.516SS..Hα-helixtrans-70.8-41.6174.8-71.4171.4000111.5E209 N210 E211 R216 I217E209-L213 HydrophobicContact CG-CD1 4.27Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 2.9Å; N210-L213 PolarHBondContact O-N 2.88Å; N210-L213 VanDerWaalsContact O-N 3.14Å; E211-L213 VanDerWaalsContact C-N 3.3Å; E211-L213 PolarHBondContact O-N 2.94Å; L213-R216 PolarHBondContact O-N 3.24Å; L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.31Å
214V95Very high93.9Very high74 Ų74106.5 Ų106.545%0.44852%0.515SS..Hα-helixtrans-60.9-50.7175.4171.40000111N210 E211 R216 I217 D218N210-V214 WeakPolarHBondContact O-CG2 3.5Å; N210-V214 PolarHBondContact O-N 2.66Å; E211-V214 PolarHBondContact O-N 3.36Å; V214-R216 VanDerWaalsContact C-N 3.25Å; V214-R216 PolarHBondContact O-N 2.95Å; V214-I217 WeakPolarHBondContact O-CB 3.33Å; V214-I217 PolarHBondContact O-N 3.35Å; V214-D218 PolarHBondContact O-N 3.29Å; V214-D218 VanDerWaalsContact O-N 3.07Å
215S92.8Very high93.7Very high70 Ų70105.5 Ų105.549%0.4951%0.512SS..Hα-helixtrans-56.9-40.1177.1-50.80000112.3E211 D218 D219E211-S215 PolarHBondContact O-N 2.89Å; E211-S215 PolarHBondContact O-OG 2.87Å; S215-D218 PolarHBondContact O-N 2.9Å; S215-D219 PolarHBondContact O-N 3.47Å
216R94.9Very high93.5Very high139 Ų139105.7 Ų105.753%0.52551%0.513SS..Hα-helixtrans-69-31.3177.7-175.9175.6-68.3154.40.5113K212 L213 V214 D219 Y220K212-R216 WeakPolarHBondContact O-CB 3.47Å; K212-R216 PolarHBondContact O-N 3.5Å; L213-R216 PolarHBondContact O-N 3.24Å; V214-R216 VanDerWaalsContact C-N 3.25Å; V214-R216 PolarHBondContact O-N 2.95Å; R216-D219 WeakPolarHBondContact O-CB 3.45Å; R216-Y220 HydrophobicContact CG-CD2 4.05Å; R216-Y220 HydrophobicContact CG-CE2 3.6Å; R216-Y220 WeakPolarHBondContact O-CD2 3.38Å; R216-Y220 PolarHBondContact O-N 3.48Å
217I94.4Very high93.1Very high87 Ų87105.2 Ų105.245%0.44651%0.51SS..Hα-helixtrans-68.2-41.2174-73.9163.6000110.5L213 V214 Y220 R221L213-I217 VanDerWaalsContact O-CG1 3.31Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.31Å; V214-I217 WeakPolarHBondContact O-CB 3.33Å; V214-I217 PolarHBondContact O-N 3.35Å; I217-Y220 PolarHBondContact O-N 2.88Å; I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.93Å
218D93Very high92.6Very high75 Ų75105.6 Ų105.640%0.40151%0.509SS..Hα-helixtrans-71.5-36.4178.4-68.9-33000112.6V214 S215 Y220 R221 Q222V214-D218 PolarHBondContact O-N 3.29Å; V214-D218 VanDerWaalsContact O-N 3.07Å; S215-D218 PolarHBondContact O-N 2.9Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.84Å; D218-R221 PolarHBondContact O-N 3.42Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.35Å; D218-R221 IonicContact OD1-CZ 2.81Å; D218-R221 IonicContact OD1-NE 2.69Å; D218-R221 IonicContact OD1-NH1 3.11Å; D218-R221 PolarHBondContact OD1-NH1 3.48Å; D218-Q222 PolarHBondContact O-N 3.45Å
219D94.1Very high92.1Very high87 Ų87107.7 Ų107.747%0.46551%0.512SS..Hα-helixtrans-52.4-45.6165.7-95-2.6000112.1S215 R216 K223S215-D219 PolarHBondContact O-N 3.47Å; R216-D219 WeakPolarHBondContact O-CB 3.45Å; D219-K223 WeakPolarHBondContact O-CD 3.4Å; D219-K223 VanDerWaalsContact O-CG 3.32Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.24Å; D219-K223 VanDerWaalsContact O-N 3.14Å
220Y95.1Very high91.4Very high135 Ų135107.2 Ų107.253%0.52951%0.51SS..Hα-helixtrans-71.8-38.1179.5-73.1-48.5000112.4R216 I217 D218 Q222 K223 I224R216-Y220 HydrophobicContact CG-CD2 4.05Å; R216-Y220 HydrophobicContact CG-CE2 3.6Å; R216-Y220 WeakPolarHBondContact O-CD2 3.38Å; R216-Y220 PolarHBondContact O-N 3.48Å; I217-Y220 PolarHBondContact O-N 2.88Å; D218-Y220 VanDerWaalsContact C-N 3.3Å; D218-Y220 PolarHBondContact O-N 2.84Å; Y220-Q222 VanDerWaalsContact C-N 3.33Å; Y220-Q222 PolarHBondContact O-N 3.48Å; Y220-K223 HydrophobicContact CD1-CD 4.25Å; Y220-K223 PolarHBondContact O-N 3Å; Y220-I224 VanDerWaalsContact O-CG1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.39Å; Y220-I224 PolarHBondContact O-N 2.89Å
221R93.8Very high90.6Very high159 Ų159110.5 Ų110.560%0.652%0.52SS*.Hα-helixtrans-58.8-44172.7-74.8162.7162.5177.6-5.8111.6I217 D218 K223 I224 A225I217-R221 WeakPolarHBondContact O-CG 3.35Å; I217-R221 PolarHBondContact O-N 2.93Å; D218-R221 PolarHBondContact O-N 3.42Å; D218-R221 VanDerWaalsContact OD1-CD 3.23Å; D218-R221 WeakPolarHBondContact OD1-CD 3.35Å; D218-R221 IonicContact OD1-CZ 2.81Å; D218-R221 IonicContact OD1-NE 2.69Å; D218-R221 IonicContact OD1-NH1 3.11Å; D218-R221 PolarHBondContact OD1-NH1 3.48Å; R221-K223 PolarHBondContact O-N 2.95Å; R221-I224 PolarHBondContact O-N 2.9Å; R221-A225 PolarHBondContact O-N 2.85Å
222Q92.9Very high89.6Confident147 Ų147112.3 Ų112.369%0.68752%0.521SS*.Hα-helixtrans-65.4-39178-16517639.600112.1D218 Y220 A225 F226D218-Q222 PolarHBondContact O-N 3.45Å; Y220-Q222 VanDerWaalsContact C-N 3.33Å; Y220-Q222 PolarHBondContact O-N 3.48Å; Q222-A225 PolarHBondContact O-N 3.03Å; Q222-F226 PolarHBondContact O-N 3.49Å
223K94Very high88.1Confident109 Ų109112.4 Ų112.447%0.47452%0.524SS..Hα-helixtrans-64.2-42.8174-72.3164.1-173.81630112.5D219 Y220 R221 F226 I227D219-K223 WeakPolarHBondContact O-CD 3.4Å; D219-K223 VanDerWaalsContact O-CG 3.32Å; D219-K223 WeakPolarHBondContact O-CG 3.43Å; D219-K223 PolarHBondContact O-N 3.24Å; D219-K223 VanDerWaalsContact O-N 3.14Å; Y220-K223 HydrophobicContact CD1-CD 4.25Å; Y220-K223 PolarHBondContact O-N 3Å; R221-K223 PolarHBondContact O-N 2.95Å; K223-F226 PolarHBondContact O-N 3.25Å; K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.45Å
224I89.3Confident86.6Confident94 Ų94112.4 Ų112.448%0.48254%0.535SS..Hα-helixtrans-61.3-48.1175.9-68.8163.1000110.2Y220 R221 F226 I227 E228Y220-I224 VanDerWaalsContact O-CG1 3.31Å; Y220-I224 WeakPolarHBondContact O-CG1 3.39Å; Y220-I224 PolarHBondContact O-N 2.89Å; R221-I224 PolarHBondContact O-N 2.9Å; I224-F226 VanDerWaalsContact C-N 3.25Å; I224-F226 PolarHBondContact O-N 3.3Å; I224-I227 PolarHBondContact O-N 2.83Å; I224-I227 VanDerWaalsContact O-N 3.11Å; I224-E228 HydrophobicContact CG2-CG 4.29Å; I224-E228 WeakPolarHBondContact O-CG 3.39Å; I224-E228 PolarHBondContact O-N 3.3Å
225A90Very high84.5Confident54 Ų54112.2 Ų112.245%0.44654%0.541SS..Hα-helixtrans-61-32178.100000113.3R221 Q222 R229R221-A225 PolarHBondContact O-N 2.85Å; Q222-A225 PolarHBondContact O-N 3.03Å; A225-R229 WeakPolarHBondContact O-CB 3.26Å; A225-R229 PolarHBondContact O-N 2.96Å
226F89.8Confident82.7Confident136 Ų136114.6 Ų114.660%0.59655%0.553SS**Hα-helixtrans-67.8-48.5171.7-173.8-86000111.7Q222 K223 I224 E228 R229 E230Q222-F226 PolarHBondContact O-N 3.49Å; K223-F226 PolarHBondContact O-N 3.25Å; I224-F226 VanDerWaalsContact C-N 3.25Å; I224-F226 PolarHBondContact O-N 3.3Å; F226-E228 PolarHBondContact O-N 3.13Å; F226-R229 WeakPolarHBondContact O-CA 3.45Å; F226-R229 WeakPolarHBondContact O-CB 3.42Å; F226-R229 PolarHBondContact O-N 3.16Å; F226-E230 PolarHBondContact O-N 2.98Å
227I85.8Confident80.6Confident103 Ų103111.7 Ų111.753%0.52855%0.547SS..Hα-helixtrans-63.1-39.8179.3-66.2163.1000111.4K223 I224 R229 E230 K231K223-I227 WeakPolarHBondContact O-CG1 3.45Å; K223-I227 PolarHBondContact O-N 3.45Å; I224-I227 PolarHBondContact O-N 2.83Å; I224-I227 VanDerWaalsContact O-N 3.11Å; I227-R229 PolarHBondContact O-N 3.3Å; I227-E230 PolarHBondContact O-N 3.02Å; I227-K231 VanDerWaalsContact O-CB 3.23Å; I227-K231 WeakPolarHBondContact O-CB 3.31Å; I227-K231 PolarHBondContact O-N 2.92Å
228E83.7Confident78.9Confident114 Ų114111.9 Ų111.953%0.53356%0.555SS.*Hα-helixtrans-68.1-22174.4-72.1-175.1163.200113.5I224 F226 R232I224-E228 HydrophobicContact CG2-CG 4.29Å; I224-E228 WeakPolarHBondContact O-CG 3.39Å; I224-E228 PolarHBondContact O-N 3.3Å; F226-E228 PolarHBondContact O-N 3.13Å; E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-NE 3.32Å
229R83.9Confident77.4Confident144 Ų144111.7 Ų111.754%0.54356%0.559SS.*Hα-helixtrans-79.9-51171-179.3179.6173.9164.22.2110.7A225 F226 I227 K231 R232 E233A225-R229 WeakPolarHBondContact O-CB 3.26Å; A225-R229 PolarHBondContact O-N 2.96Å; F226-R229 WeakPolarHBondContact O-CA 3.45Å; F226-R229 WeakPolarHBondContact O-CB 3.42Å; F226-R229 PolarHBondContact O-N 3.16Å; I227-R229 PolarHBondContact O-N 3.3Å; R229-K231 VanDerWaalsContact C-N 3.27Å; R229-K231 PolarHBondContact O-N 3.5Å; R229-R232 PolarHBondContact O-N 2.8Å; R229-E233 IonicContact CZ-OE1 3.7Å; R229-E233 VanDerWaalsContact CZ-OE1 3.22Å; R229-E233 IonicContact NE-OE1 2.68Å; R229-E233 PolarHBondContact NE-OE1 3.15Å; R229-E233 IonicContact NE-OE2 3.81Å; R229-E233 IonicContact NH2-OE1 4Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 PolarHBondContact O-N 3.3Å
230E79.3Confident76.1Confident104 Ų104112.2 Ų112.249%0.48656%0.562SS.*Hα-helixtrans-55.4-44176.7-172.4179.3171.800110.9F226 I227 R232 E233 A234F226-E230 PolarHBondContact O-N 2.98Å; I227-E230 PolarHBondContact O-N 3.02Å; E230-R232 VanDerWaalsContact C-N 3.28Å; E230-R232 PolarHBondContact O-N 2.74Å; E230-E233 PolarHBondContact O-N 2.94Å; E230-A234 VanDerWaalsContact O-CB 3.26Å; E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 3.37Å
231K77.1Confident74.9Confident161 Ų161112.2 Ų112.270%0.757%0.567SS**Hα-helixtrans-60.9-30.9174.9-174.9176.6179.5-178.60113.8I227 R229 A235I227-K231 VanDerWaalsContact O-CB 3.23Å; I227-K231 WeakPolarHBondContact O-CB 3.31Å; I227-K231 PolarHBondContact O-N 2.92Å; R229-K231 VanDerWaalsContact C-N 3.27Å; R229-K231 PolarHBondContact O-N 3.5Å; K231-A235 VanDerWaalsContact O-CB 3.28Å; K231-A235 WeakPolarHBondContact O-CB 3.26Å; K231-A235 PolarHBondContact O-N 3.48Å
232R73.2Confident73.7Confident173 Ų173110 Ų11065%0.65357%0.566SS**Hα-helixtrans-80.6-36.8175.6-80.3179.2-70.7158.3-4.7112.4E228 R229 E230 A234 A235E228-R232 WeakPolarHBondContact O-CG 3.44Å; E228-R232 PolarHBondContact O-NE 3.32Å; R229-R232 PolarHBondContact O-N 2.8Å; E230-R232 VanDerWaalsContact C-N 3.28Å; E230-R232 PolarHBondContact O-N 2.74Å; R232-A234 VanDerWaalsContact C-N 3.34Å; R232-A235 PolarHBondContact O-N 3.18Å
233E64.7Low72.8Confident115 Ų115107.8 Ų107.854%0.53756%0.559SS.*Hα-helixtrans-71.4-32.1175.9-68.1177.4-179.500111.1R229 E230 A235R229-E233 IonicContact CZ-OE1 3.7Å; R229-E233 VanDerWaalsContact CZ-OE1 3.22Å; R229-E233 IonicContact NE-OE1 2.68Å; R229-E233 PolarHBondContact NE-OE1 3.15Å; R229-E233 IonicContact NE-OE2 3.81Å; R229-E233 IonicContact NH2-OE1 4Å; R229-E233 PolarHBondContact NH2-OE1 2.86Å; R229-E233 PolarHBondContact O-N 3.3Å; E230-E233 PolarHBondContact O-N 2.94Å; E233-A235 VanDerWaalsContact C-N 3.35Å
234A60.9Low71.9Confident80 Ų80106.3 Ų106.366%0.66156%0.559SS**THydrogen-bonded Turntrans-80.5-6.7170.800000114.8E230 R232 V236E230-A234 VanDerWaalsContact O-CB 3.26Å; E230-A234 WeakPolarHBondContact O-CB 3.43Å; E230-A234 PolarHBondContact O-N 3.37Å; R232-A234 VanDerWaalsContact C-N 3.34Å; A234-V236 VanDerWaalsContact C-N 3.28Å
235A52.5Low71.3Confident71 Ų71105.6 Ų105.659%0.58756%0.556SS**THydrogen-bonded Turntrans-89.312.4175.400000113.3K231 R232 E233 D237K231-A235 VanDerWaalsContact O-CB 3.28Å; K231-A235 WeakPolarHBondContact O-CB 3.26Å; K231-A235 PolarHBondContact O-N 3.48Å; R232-A235 PolarHBondContact O-N 3.18Å; E233-A235 VanDerWaalsContact C-N 3.35Å; A235-D237 PolarHBondContact O-N 3.46Å
236V55.3Low70.5Confident120 Ų120109.2 Ų109.273%0.72756%0.563SS**SBendtrans-68.4101.5164.4177.80000107.2A234 P238A234-V236 VanDerWaalsContact C-N 3.28Å; V236-P238 WeakPolarHBondContact O-CD 3.33Å
237D50.5Low70.1Confident77 Ų77106.3 Ų106.341%0.41256%0.556SS.*  trans-60.3111.5-161.6177.515000113.4A235 S239 N240A235-D237 PolarHBondContact O-N 3.46Å; D237-S239 PolarHBondContact O-N 2.95Å; D237-S239 VanDerWaalsContact O-N 3.11Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 3.47Å; D237-S239 PolarHBondContact OD1-OG 3.3Å; D237-N240 PolarHBondContact O-N 3.44Å; D237-N240 VanDerWaalsContact O-N 3.11Å; D237-N240 PolarHBondContact OD2-ND2 3.34Å
238P57.9Low70Confident92 Ų92107.2 Ų107.260%0.59756%0.558SS**Hα-helixtrans-65.2-16.1-178.628.7-35.8000112.6V236 N240 E241 L242V236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-N240 PolarHBondContact O-N 3.39Å; P238-E241 PolarHBondContact O-N 2.86Å; P238-L242 WeakPolarHBondContact O-CB 3.28Å; P238-L242 PolarHBondContact O-N 3.44Å
239S61.3Low69.8Low71 Ų71106 Ų10650%0.49756%0.555SS.*Hα-helixtrans-60.1-31.1173.9-42.90000112D237 L243D237-S239 PolarHBondContact O-N 2.95Å; D237-S239 VanDerWaalsContact O-N 3.11Å; D237-S239 WeakPolarHBondContact OD1-CB 3.45Å; D237-S239 PolarHBondContact OD1-N 3.47Å; D237-S239 PolarHBondContact OD1-OG 3.3Å; S239-L243 VanDerWaalsContact O-CB 3.22Å; S239-L243 WeakPolarHBondContact O-CB 3.42Å; S239-L243 PolarHBondContact O-N 2.92Å
240N66.6Low69.9Low98 Ų98100.8 Ų100.852%0.52455%0.546SS..Hα-helixtrans-73.7-43.3178.2-70.8-72.6000112.2D237 P238 L243 T244D237-N240 PolarHBondContact O-N 3.44Å; D237-N240 VanDerWaalsContact O-N 3.11Å; D237-N240 PolarHBondContact OD2-ND2 3.34Å; P238-N240 PolarHBondContact O-N 3.39Å; N240-L243 PolarHBondContact O-N 3.35Å; N240-T244 PolarHBondContact O-N 3.07Å; N240-T244 PolarHBondContact O-OG1 2.95Å
241E70Confident70.1Confident134 Ų134100.5 Ų100.563%0.62655%0.545SS*.Hα-helixtrans-67.7-38.7176.4-173.5171.3-165.500111P238 L243 T244 L245P238-E241 PolarHBondContact O-N 2.86Å; E241-L243 PolarHBondContact O-N 3.14Å; E241-T244 PolarHBondContact O-N 3.27Å; E241-T244 PolarHBondContact O-OG1 3.46Å; E241-L245 HydrophobicContact CG-CD1 4.05Å; E241-L245 HydrophobicContact CG-CG 4.49Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 2.86Å
242L69.9Low70.3Confident114 Ų11494.9 Ų94.960%0.59753%0.528SS*.Hα-helixtrans-59.8-44.8171.6-178.362.1000111.6P238 L245 Q246P238-L242 WeakPolarHBondContact O-CB 3.28Å; P238-L242 PolarHBondContact O-N 3.44Å; L242-L245 PolarHBondContact O-N 3.17Å; L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 2.93Å
243L73.3Confident70.9Confident100 Ų10094.3 Ų94.352%0.52453%0.526SS..Hα-helixtrans-65.7-40.1179-176.962.7000112.4S239 N240 E241 T247S239-L243 VanDerWaalsContact O-CB 3.22Å; S239-L243 WeakPolarHBondContact O-CB 3.42Å; S239-L243 PolarHBondContact O-N 2.92Å; N240-L243 PolarHBondContact O-N 3.35Å; E241-L243 PolarHBondContact O-N 3.14Å; L243-T247 WeakPolarHBondContact O-CB 3.34Å; L243-T247 PolarHBondContact O-N 3.49Å; L243-T247 PolarHBondContact O-OG1 3.22Å
244T74.7Confident71.9Confident78 Ų7894.6 Ų94.648%0.47953%0.529SS..Hα-helixtrans-67-43.7175.152.90000111.7N240 E241 Q246 T247 E248N240-T244 PolarHBondContact O-N 3.07Å; N240-T244 PolarHBondContact O-OG1 2.95Å; E241-T244 PolarHBondContact O-N 3.27Å; E241-T244 PolarHBondContact O-OG1 3.46Å; T244-Q246 PolarHBondContact O-N 2.84Å; T244-T247 WeakPolarHBondContact O-CB 3.35Å; T244-T247 PolarHBondContact O-N 3.12Å; T244-E248 PolarHBondContact O-N 3.27Å
245L76.5Confident73.1Confident79 Ų7996.9 Ų96.941%0.41452%0.521SS..Hα-helixtrans-65.4-37.1176.9-70.5171.8000112.4E241 L242 T247 L249E241-L245 HydrophobicContact CG-CD1 4.05Å; E241-L245 HydrophobicContact CG-CG 4.49Å; E241-L245 WeakPolarHBondContact O-CB 3.39Å; E241-L245 VanDerWaalsContact O-CG 3.27Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 2.86Å; L242-L245 PolarHBondContact O-N 3.17Å; L245-T247 VanDerWaalsContact C-N 3.31Å; L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 PolarHBondContact O-N 3.06Å
246Q74.1Confident74.5Confident130 Ų13099.4 Ų99.461%0.60752%0.52SS*.Hα-helixtrans-66.4-34.5174.4-173.3172.71.500111.8L242 T244 G250L242-Q246 WeakPolarHBondContact O-CB 3.33Å; L242-Q246 PolarHBondContact O-N 2.93Å; T244-Q246 PolarHBondContact O-N 2.84Å; Q246-G250 PolarHBondContact O-N 3.04Å; Q246-G250 VanDerWaalsContact O-N 3.14Å
247T80.8Confident75.9Confident74 Ų7496 Ų9645%0.45451%0.505SS..Hα-helixtrans-69.8-49.6174.6-54.80000111.2L243 T244 L245 L249 G250 E251L243-T247 WeakPolarHBondContact O-CB 3.34Å; L243-T247 PolarHBondContact O-N 3.49Å; L243-T247 PolarHBondContact O-OG1 3.22Å; T244-T247 WeakPolarHBondContact O-CB 3.35Å; T244-T247 PolarHBondContact O-N 3.12Å; L245-T247 VanDerWaalsContact C-N 3.31Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.44Å; T247-G250 WeakPolarHBondContact O-CA 3.3Å; T247-G250 PolarHBondContact O-N 2.8Å; T247-E251 PolarHBondContact O-N 3.37Å
248E84Confident77.7Confident122 Ų12298.3 Ų98.357%0.5751%0.513SS*.Hα-helixtrans-58.3-38.7175.8-73.7-173.9-169.600112.3T244 E251 A252T244-E248 PolarHBondContact O-N 3.27Å; E248-E251 PolarHBondContact O-N 3.47Å; E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.44Å
249L79.7Confident79Confident89 Ų8998.3 Ų98.347%0.46651%0.508SS..Hα-helixtrans-65.7-36.5174.9-179.161.7000112.3L245 T247 R253L245-L249 VanDerWaalsContact O-CB 3.29Å; L245-L249 WeakPolarHBondContact O-CB 3.46Å; L245-L249 PolarHBondContact O-N 3.06Å; T247-L249 VanDerWaalsContact C-N 3.29Å; T247-L249 PolarHBondContact O-N 3.44Å; L249-R253 WeakPolarHBondContact O-CG 3.45Å; L249-R253 PolarHBondContact O-N 3.05Å
250G85.3Confident80.1Confident34 Ų3498.3 Ų98.335%0.35151%0.505SS..Hα-helixtrans-63-50.2172.500000112Q246 T247 A252 R253 M254Q246-G250 PolarHBondContact O-N 3.04Å; Q246-G250 VanDerWaalsContact O-N 3.14Å; T247-G250 WeakPolarHBondContact O-CA 3.3Å; T247-G250 PolarHBondContact O-N 2.8Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-A252 PolarHBondContact O-N 3.3Å; G250-R253 PolarHBondContact O-N 3.45Å; G250-M254 PolarHBondContact O-N 3.41Å
251E85Confident81Confident98 Ų9899.1 Ų99.146%0.45851%0.508SS..Hα-helixtrans-61.9-34.8176.1-67.8-174.5-178.800113.3T247 E248 R255T247-E251 PolarHBondContact O-N 3.37Å; E248-E251 PolarHBondContact O-N 3.47Å; E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.19Å; E251-R255 PolarHBondContact O-NE 3.11Å; E251-R255 IonicContact OE2-NH2 3.06Å
252A80.7Confident81.8Confident43 Ų4395.5 Ų95.536%0.35550%0.497SS..Hα-helixtrans-66.4-45.317600000111.3E248 G250 R255 E256E248-A252 WeakPolarHBondContact O-CB 3.49Å; E248-A252 PolarHBondContact O-N 3.44Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-A252 PolarHBondContact O-N 3.3Å; A252-R255 PolarHBondContact O-N 3.12Å; A252-E256 WeakPolarHBondContact O-CB 3.3Å; A252-E256 PolarHBondContact O-N 2.98Å
253R85.7Confident82.5Confident161 Ų16195.8 Ų95.861%0.60849%0.494SS*.Hα-helixtrans-65.5-36.1177.7-75.3175174.2-179.1-0.5113.3L249 G250 E256 A257L249-R253 WeakPolarHBondContact O-CG 3.45Å; L249-R253 PolarHBondContact O-N 3.05Å; G250-R253 PolarHBondContact O-N 3.45Å; R253-E256 PolarHBondContact O-N 3.41Å; R253-A257 PolarHBondContact O-N 3.43Å
254M84.8Confident83.2Confident122 Ų12295.9 Ų95.960%0.60149%0.492SS*.Hα-helixtrans-64.7-46.3173.8-68.8-166.8-59.900111.3G250 E256 A257 E258G250-M254 PolarHBondContact O-N 3.41Å; M254-E256 VanDerWaalsContact C-N 3.29Å; M254-E256 PolarHBondContact O-N 3.08Å; M254-A257 PolarHBondContact O-N 2.82Å; M254-E258 WeakPolarHBondContact O-CG 3.43Å; M254-E258 PolarHBondContact O-N 3.44Å
255R87.2Confident83.8Confident128 Ų12897 Ų9748%0.48349%0.491SS..Hα-helixtrans-63.3-33.4175.4-75.2175.2-77.5156.1-15.4113.1E251 A252 L259E251-R255 WeakPolarHBondContact O-CG 3.47Å; E251-R255 PolarHBondContact O-N 3.19Å; E251-R255 PolarHBondContact O-NE 3.11Å; E251-R255 IonicContact OE2-NH2 3.06Å; A252-R255 PolarHBondContact O-N 3.12Å; R255-L259 WeakPolarHBondContact O-CB 3.29Å; R255-L259 VanDerWaalsContact O-CG 3.24Å; R255-L259 WeakPolarHBondContact O-CG 3.38Å; R255-L259 PolarHBondContact O-N 3.38Å
256E81.9Confident84.4Confident123 Ų12397.4 Ų97.458%0.57549%0.494SS*.Hα-helixtrans-63.3-47.8172.6-176.1170.1-141.500111A252 R253 M254 E258 L259 T260A252-E256 WeakPolarHBondContact O-CB 3.3Å; A252-E256 PolarHBondContact O-N 2.98Å; R253-E256 PolarHBondContact O-N 3.41Å; M254-E256 VanDerWaalsContact C-N 3.29Å; M254-E256 PolarHBondContact O-N 3.08Å; E256-E258 PolarHBondContact O-N 3.33Å; E256-L259 PolarHBondContact O-N 2.98Å; E256-T260 PolarHBondContact O-N 3.46Å; E256-T260 PolarHBondContact O-OG1 3.45Å
257A84.5Confident85.1Confident49 Ų4996.3 Ų96.341%0.40549%0.489SS..Hα-helixtrans-62.4-42.5176.400000113.1R253 M254 L259 T260 I261R253-A257 PolarHBondContact O-N 3.43Å; M254-A257 PolarHBondContact O-N 2.82Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.82Å; A257-T260 PolarHBondContact O-N 2.9Å; A257-I261 WeakPolarHBondContact O-CG1 3.23Å; A257-I261 PolarHBondContact O-N 2.84Å
258E87.2Confident85.5Confident126 Ų12699.2 Ų99.259%0.58950%0.497SS*.Hα-helixtrans-58.9-41.7173.7-71171.6167.300112.2M254 E256 S262M254-E258 WeakPolarHBondContact O-CG 3.43Å; M254-E258 PolarHBondContact O-N 3.44Å; E256-E258 PolarHBondContact O-N 3.33Å; E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.1Å; E258-S262 VanDerWaalsContact O-N 3.09Å; E258-S262 PolarHBondContact O-OG 2.97Å
259L85.3Confident85.8Confident92 Ų92100.4 Ų100.448%0.48250%0.496SS..Hα-helixtrans-70.7-33.4176.3-73.5170.6000112.5R255 E256 A257 S262 F263R255-L259 WeakPolarHBondContact O-CB 3.29Å; R255-L259 VanDerWaalsContact O-CG 3.24Å; R255-L259 WeakPolarHBondContact O-CG 3.38Å; R255-L259 PolarHBondContact O-N 3.38Å; E256-L259 PolarHBondContact O-N 2.98Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.82Å; L259-S262 WeakPolarHBondContact CA-OG 3.43Å; L259-S262 PolarHBondContact O-OG 3.39Å; L259-F263 VanDerWaalsContact O-CB 3.27Å; L259-F263 WeakPolarHBondContact O-CB 3.36Å; L259-F263 PolarHBondContact O-N 2.91Å
260T85.2Confident86.2Confident71 Ų71100.1 Ų100.144%0.43649%0.494SS..Hα-helixtrans-66.2-50.1173.7-560000111.3E256 A257 S262 F263 E264E256-T260 PolarHBondContact O-N 3.46Å; E256-T260 PolarHBondContact O-OG1 3.45Å; A257-T260 PolarHBondContact O-N 2.9Å; T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.31Å; T260-F263 WeakPolarHBondContact O-CB 3.31Å; T260-F263 PolarHBondContact O-N 3.24Å; T260-F263 VanDerWaalsContact O-N 3.14Å; T260-E264 PolarHBondContact O-N 3.14Å
261I86.3Confident86.4Confident115 Ų115101.1 Ų101.159%0.5949%0.493SS*.Hα-helixtrans-61.4-43.1-180-66.1164.6000111A257 F263 E264 E265A257-I261 WeakPolarHBondContact O-CG1 3.23Å; A257-I261 PolarHBondContact O-N 2.84Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 2.91Å; I261-E264 PolarHBondContact O-N 3.43Å; I261-E265 PolarHBondContact O-N 2.89Å
262S85.8Confident86.5Confident58 Ų5898.8 Ų98.841%0.40649%0.491SS..Hα-helixtrans-72.1-23.9177.853.90000113.6E258 L259 T260 L266E258-S262 WeakPolarHBondContact O-CB 3.32Å; E258-S262 PolarHBondContact O-N 3.1Å; E258-S262 VanDerWaalsContact O-N 3.09Å; E258-S262 PolarHBondContact O-OG 2.97Å; L259-S262 WeakPolarHBondContact CA-OG 3.43Å; L259-S262 PolarHBondContact O-OG 3.39Å; T260-S262 VanDerWaalsContact C-N 3.34Å; T260-S262 PolarHBondContact O-N 3.31Å; S262-L266 WeakPolarHBondContact O-CB 3.26Å; S262-L266 PolarHBondContact O-N 3.14Å; S262-L266 VanDerWaalsContact O-N 3.14Å
263F85.5Confident86.8Confident119 Ų119101.1 Ų101.152%0.52250%0.497SS..Hα-helixtrans-71.4-43.1168.2-179.2-92.9000111.9L259 T260 I261 L266 Q267L259-F263 VanDerWaalsContact O-CB 3.27Å; L259-F263 WeakPolarHBondContact O-CB 3.36Å; L259-F263 PolarHBondContact O-N 2.91Å; T260-F263 WeakPolarHBondContact O-CB 3.31Å; T260-F263 PolarHBondContact O-N 3.24Å; T260-F263 VanDerWaalsContact O-N 3.14Å; I261-F263 VanDerWaalsContact C-N 3.32Å; I261-F263 PolarHBondContact O-N 2.91Å; F263-L266 PolarHBondContact O-N 3.45Å; F263-Q267 WeakPolarHBondContact O-CB 3.36Å; F263-Q267 PolarHBondContact O-N 2.92Å
264E86.1Confident86.9Confident103 Ų10397.7 Ų97.748%0.48149%0.49SS..Hα-helixtrans-62.8-43.3174.9-70.8-179.2169.200111.9T260 I261 L266 Q267 H268T260-E264 PolarHBondContact O-N 3.14Å; I261-E264 PolarHBondContact O-N 3.43Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.31Å; E264-Q267 PolarHBondContact O-N 2.91Å; E264-H268 PolarHBondContact O-CD2 3.48Å; E264-H268 PolarHBondContact O-N 2.94Å
265E87.5Confident87Confident100 Ų10099.7 Ų99.747%0.46749%0.491SS..Hα-helixtrans-58.3-44.9173.1-166.5-147.4121.700111.2I261 H268 R269I261-E265 PolarHBondContact O-N 2.89Å; E265-H268 PolarHBondContact O-N 2.93Å; E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.46Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 WeakPolarHBondContact OE1-CD 3.4Å; E265-R269 IonicContact OE1-CZ 3.68Å; E265-R269 IonicContact OE1-NE 3.8Å; E265-R269 IonicContact OE1-NH1 2.76Å; E265-R269 PolarHBondContact OE1-NH1 3.36Å
266L89.6Confident86.9Confident89 Ų8998.5 Ų98.547%0.46649%0.494SS..Hα-helixtrans-64.6-41.5178.3-17661.2000111.8S262 F263 E264 R269 I270S262-L266 WeakPolarHBondContact O-CB 3.26Å; S262-L266 PolarHBondContact O-N 3.14Å; S262-L266 VanDerWaalsContact O-N 3.14Å; F263-L266 PolarHBondContact O-N 3.45Å; E264-L266 VanDerWaalsContact C-N 3.32Å; E264-L266 PolarHBondContact O-N 3.31Å; L266-R269 PolarHBondContact O-N 2.87Å; L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.09Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 3.3Å
267Q88.5Confident86.9Confident107 Ų10793.6 Ų93.650%0.547%0.471SS..Hα-helixtrans-64.9-41.2176.4-173.4174.6-3.600111.7F263 E264 R269 I270 T271F263-Q267 WeakPolarHBondContact O-CB 3.36Å; F263-Q267 PolarHBondContact O-N 2.92Å; E264-Q267 PolarHBondContact O-N 2.91Å; Q267-R269 VanDerWaalsContact C-N 3.34Å; Q267-I270 PolarHBondContact O-N 3.29Å; Q267-T271 WeakPolarHBondContact O-CB 3.35Å; Q267-T271 PolarHBondContact O-N 3.32Å; Q267-T271 PolarHBondContact O-OG1 3.34Å
268H89.4Confident86.7Confident135 Ų13598.6 Ų98.663%0.62549%0.486SS*.Hα-helixtrans-62.5-39.7172.1-76.4-51.8000112.3E264 E265 T271 A272E264-H268 PolarHBondContact O-CD2 3.48Å; E264-H268 PolarHBondContact O-N 2.94Å; E265-H268 PolarHBondContact O-N 2.93Å; H268-T271 PolarHBondContact O-N 2.92Å; H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 3.1Å
269R90.1Very high86.6Confident146 Ų14697.7 Ų97.755%0.55149%0.49SS*.Hα-helixtrans-68.5-39.6177.2-74.7169.259.8175.2-1.2112.8E265 L266 Q267 A272 I273E265-R269 WeakPolarHBondContact O-CB 3.35Å; E265-R269 VanDerWaalsContact O-CG 3.26Å; E265-R269 WeakPolarHBondContact O-CG 3.46Å; E265-R269 PolarHBondContact O-N 3.18Å; E265-R269 WeakPolarHBondContact OE1-CD 3.4Å; E265-R269 IonicContact OE1-CZ 3.68Å; E265-R269 IonicContact OE1-NE 3.8Å; E265-R269 IonicContact OE1-NH1 2.76Å; E265-R269 PolarHBondContact OE1-NH1 3.36Å; L266-R269 PolarHBondContact O-N 2.87Å; Q267-R269 VanDerWaalsContact C-N 3.34Å; R269-A272 PolarHBondContact O-N 3.41Å; R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.5Å; R269-I273 PolarHBondContact O-N 3.12Å
270I87.9Confident86.4Confident83 Ų8396.5 Ų96.543%0.42648%0.484SS..Hα-helixtrans-60.7-51.8171.4-69.7164.2000109.5L266 Q267 A272 I273 D274L266-I270 HydrophobicContact CD1-CD1 4.44Å; L266-I270 HydrophobicContact CG-CD1 4.09Å; L266-I270 WeakPolarHBondContact O-CG1 3.46Å; L266-I270 PolarHBondContact O-N 3.3Å; Q267-I270 PolarHBondContact O-N 3.29Å; I270-A272 PolarHBondContact O-N 3.21Å; I270-A272 VanDerWaalsContact O-N 3.13Å; I270-I273 CarbonylContact O-C 3.58Å; I270-I273 WeakPolarHBondContact O-CA 3.44Å; I270-I273 WeakPolarHBondContact O-CB 3.27Å; I270-I273 PolarHBondContact O-N 3.24Å; I270-D274 WeakPolarHBondContact CG2-OD2 3.41Å; I270-D274 PolarHBondContact O-N 2.93Å
271T90.3Very high85.9Confident55 Ų5597 Ų9734%0.33749%0.489SS..Hα-helixtrans-56.4-34.2177.7-51.30000112.8Q267 H268 R275Q267-T271 WeakPolarHBondContact O-CB 3.35Å; Q267-T271 PolarHBondContact O-N 3.32Å; Q267-T271 PolarHBondContact O-OG1 3.34Å; H268-T271 PolarHBondContact O-N 2.92Å; T271-R275 WeakPolarHBondContact O-CG 3.46Å; T271-R275 PolarHBondContact O-N 2.87Å
272A88.2Confident85.5Confident50 Ų5099.5 Ų99.541%0.41350%0.497SS..Hα-helixtrans-73.4-35.2175.400000112.9H268 R269 I270 L276H268-A272 WeakPolarHBondContact O-CB 3.49Å; H268-A272 PolarHBondContact O-N 3.1Å; R269-A272 PolarHBondContact O-N 3.41Å; I270-A272 PolarHBondContact O-N 3.21Å; I270-A272 VanDerWaalsContact O-N 3.13Å; A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-L276 VanDerWaalsContact O-N 3.11Å
273I86.9Confident84.6Confident91 Ų91100 Ų10047%0.46750%0.495SS..Hα-helixtrans-69.2-43.8174-69.7163.4000110.6R269 I270 R275 L276 I277R269-I273 VanDerWaalsContact O-CG1 3.32Å; R269-I273 WeakPolarHBondContact O-CG1 3.5Å; R269-I273 PolarHBondContact O-N 3.12Å; I270-I273 CarbonylContact O-C 3.58Å; I270-I273 WeakPolarHBondContact O-CA 3.44Å; I270-I273 WeakPolarHBondContact O-CB 3.27Å; I270-I273 PolarHBondContact O-N 3.24Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.29Å; I273-L276 WeakPolarHBondContact O-CB 3.45Å; I273-L276 PolarHBondContact O-N 3.2Å; I273-I277 HydrophobicContact CG2-CD1 3.91Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å
274D86.5Confident84.1Confident89 Ų8998.7 Ų98.748%0.47649%0.49SS..Hα-helixtrans-59.2-44.4178-62.7-31.3000111I270 L276 I277 E278I270-D274 WeakPolarHBondContact CG2-OD2 3.41Å; I270-D274 PolarHBondContact O-N 2.93Å; D274-L276 PolarHBondContact O-N 2.7Å; D274-I277 WeakPolarHBondContact O-CB 3.23Å; D274-I277 PolarHBondContact O-N 3.41Å; D274-E278 PolarHBondContact O-N 3.01Å
275R86.7Confident83.5Confident164 Ų16499 Ų9962%0.61950%0.495SS*.Hα-helixtrans-62.4-38172.9-73.5175.9-176.8-174.22.6113.1T271 I273 I277 E278 T279T271-R275 WeakPolarHBondContact O-CG 3.46Å; T271-R275 PolarHBondContact O-N 2.87Å; I273-R275 VanDerWaalsContact C-N 3.32Å; I273-R275 PolarHBondContact O-N 3.29Å; R275-I277 VanDerWaalsContact C-N 3.32Å; R275-E278 PolarHBondContact O-N 3.28Å; R275-T279 WeakPolarHBondContact O-CG2 3.26Å; R275-T279 PolarHBondContact O-N 2.96Å; R275-T279 PolarHBondContact O-OG1 3.48Å; R275-T279 VanDerWaalsContact O-OG1 3.1Å
276L85.4Confident82.8Confident103 Ų103100.3 Ų100.354%0.53950%0.499SS..Hα-helixtrans-64.8-37.9176-77.5166.4000111.5A272 I273 D274 T279 D280 M283A272-L276 WeakPolarHBondContact O-CG 3.42Å; A272-L276 PolarHBondContact O-N 2.74Å; A272-L276 VanDerWaalsContact O-N 3.11Å; I273-L276 WeakPolarHBondContact O-CB 3.45Å; I273-L276 PolarHBondContact O-N 3.2Å; D274-L276 PolarHBondContact O-N 2.7Å; L276-T279 WeakPolarHBondContact CA-OG1 3.43Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.26Å; L276-D280 PolarHBondContact O-N 2.88Å; L276-M283 HydrophobicContact CB-CE 4.22Å
277I81.8Confident81.7Confident20 Ų2099.9 Ų99.910%0.10349%0.494CS..Hα-helixtrans-65.8-44.4173.8-63.1162000110.6I273 D274 R275 T279 D280 M283 F287I273-I277 HydrophobicContact CG2-CD1 3.91Å; I273-I277 WeakPolarHBondContact O-CG1 3.43Å; I273-I277 PolarHBondContact O-N 3.18Å; D274-I277 WeakPolarHBondContact O-CB 3.23Å; D274-I277 PolarHBondContact O-N 3.41Å; R275-I277 VanDerWaalsContact C-N 3.32Å; I277-T279 VanDerWaalsContact C-N 3.32Å; I277-T279 PolarHBondContact O-N 2.86Å; I277-D280 PolarHBondContact O-N 3.3Å; I277-D280 VanDerWaalsContact O-O 3.08Å; I277-M283 HydrophobicContact CG1-CE 3.84Å; I277-M283 HydrophobicContact CG2-CB 4.4Å; I277-F287 HydrophobicContact CD1-CD1 4.22Å; I277-F287 HydrophobicContact CD1-CD2 3.71Å; I277-F287 HydrophobicContact CD1-CE1 4.02Å; I277-F287 HydrophobicContact CD1-CE2 3.49Å; I277-F287 VanDerWaalsContact CD1-CE2 3.49Å; I277-F287 HydrophobicContact CD1-CG 4.08Å; I277-F287 HydrophobicContact CD1-CZ 3.65Å; I277-F287 HydrophobicContact CG1-CD2 3.85Å; I277-F287 HydrophobicContact CG1-CE2 3.76Å; I277-F287 HydrophobicContact CG1-CZ 4.4Å; I277-F287 HydrophobicContact CG2-CB 4.25Å; I277-F287 HydrophobicContact CG2-CD2 3.98Å; I277-F287 HydrophobicContact CG2-CG 4.27Å
278E80.5Confident80.8Confident154 Ų15499.8 Ų99.872%0.7250%0.497SS*.Hα-helixtrans-64.4-32.2177.1-171.5179.2-154.600112.9D274 R275D274-E278 PolarHBondContact O-N 3.01Å; R275-E278 PolarHBondContact O-N 3.28Å
279T85.1Confident79.7Confident107 Ų10796.9 Ų96.966%0.65650%0.496SS*.Hα-helixtrans-81.4-14.3177.955.50000115.4R275 L276 I277R275-T279 WeakPolarHBondContact O-CG2 3.26Å; R275-T279 PolarHBondContact O-N 2.96Å; R275-T279 PolarHBondContact O-OG1 3.48Å; R275-T279 VanDerWaalsContact O-OG1 3.1Å; L276-T279 WeakPolarHBondContact CA-OG1 3.43Å; L276-T279 PolarHBondContact O-N 3.42Å; L276-T279 PolarHBondContact O-OG1 3.26Å; I277-T279 VanDerWaalsContact C-N 3.32Å; I277-T279 PolarHBondContact O-N 2.86Å
280D81.1Confident78.5Confident67 Ų6792.5 Ų92.536%0.35849%0.485SS..  trans-121.5104.4-178-175.7-13.9000110.6L276 I277 E282 M283 E284L276-D280 PolarHBondContact O-N 2.88Å; I277-D280 PolarHBondContact O-N 3.3Å; I277-D280 VanDerWaalsContact O-O 3.08Å; D280-E282 PolarHBondContact O-N 2.89Å; D280-E282 VanDerWaalsContact O-N 3.17Å; D280-E282 PolarHBondContact OD1-N 2.85Å; D280-M283 HydrophobicContact CB-CB 4.07Å; D280-M283 HydrophobicContact CB-CG 4.03Å; D280-M283 WeakPolarHBondContact O-CA 3.24Å; D280-M283 WeakPolarHBondContact O-CB 3.41Å; D280-M283 PolarHBondContact O-N 3.39Å; D280-E284 PolarHBondContact O-N 3.03Å
281P75.1Confident76.7Confident83 Ų8394 Ų9454%0.53950%0.498SS..Hα-helixtrans-66.6-16.2-177.627.4-34.5000113.7N285P281-N285 WeakPolarHBondContact O-CB 3.47Å; P281-N285 PolarHBondContact O-N 3.2Å; P281-N285 VanDerWaalsContact O-N 3.15Å; P281-N285 PolarHBondContact O-ND2 2.87Å
282E76.7Confident74.8Confident166 Ų16696.6 Ų96.678%0.77651%0.509SS*.Hα-helixtrans-72.6-37.4168.4-69.2-166.5-17500111D280 F286D280-E282 PolarHBondContact O-N 2.89Å; D280-E282 VanDerWaalsContact O-N 3.17Å; D280-E282 PolarHBondContact OD1-N 2.85Å; E282-F286 WeakPolarHBondContact O-CB 3.42Å; E282-F286 PolarHBondContact O-N 3.32Å
283M68.7Low72.4Confident70 Ų7097.9 Ų97.935%0.34552%0.515SS..Hα-helixtrans-70.1-44.1173.5-68.4-122.3-69.500112.1L276 I277 D280 N285 F286 F287L276-M283 HydrophobicContact CB-CE 4.22Å; I277-M283 HydrophobicContact CG1-CE 3.84Å; I277-M283 HydrophobicContact CG2-CB 4.4Å; D280-M283 HydrophobicContact CB-CB 4.07Å; D280-M283 HydrophobicContact CB-CG 4.03Å; D280-M283 WeakPolarHBondContact O-CA 3.24Å; D280-M283 WeakPolarHBondContact O-CB 3.41Å; D280-M283 PolarHBondContact O-N 3.39Å; M283-N285 PolarHBondContact O-N 2.95Å; M283-F286 PolarHBondContact O-N 3.18Å; M283-F286 VanDerWaalsContact O-N 3.14Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 PolarHBondContact O-N 3.36Å
284E74.5Confident70.3Confident90 Ų90100.1 Ų100.142%0.42154%0.535SS..Hα-helixtrans-58-48.1176.9-159-15315800111.1D280 F286 F287 N288D280-E284 PolarHBondContact O-N 3.03Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 3.14Å; E284-F287 PolarHBondContact O-N 2.95Å; E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.36Å; E284-N288 PolarHBondContact O-N 3.46Å; E284-N288 PolarHBondContact O-ND2 3.5Å; E284-N288 PolarHBondContact OE1-ND2 2.96Å
285N73.6Confident68.1Low110 Ų110100.9 Ų100.959%0.58854%0.543SS*.Hα-helixtrans-62.7-36.8175.7-82.3-71.1000112.5P281 M283 A289P281-N285 WeakPolarHBondContact O-CB 3.47Å; P281-N285 PolarHBondContact O-N 3.2Å; P281-N285 VanDerWaalsContact O-N 3.15Å; P281-N285 PolarHBondContact O-ND2 2.87Å; M283-N285 PolarHBondContact O-N 2.95Å; N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.15Å; N285-A289 PolarHBondContact O-N 2.98Å
286F72.1Confident65.9Low127 Ų12798 Ų9856%0.55755%0.549SS*.Hα-helixtrans-66.1-46.4175.5-179.9-99.3000112.2E282 M283 E284 A289 V290E282-F286 WeakPolarHBondContact O-CB 3.42Å; E282-F286 PolarHBondContact O-N 3.32Å; M283-F286 PolarHBondContact O-N 3.18Å; M283-F286 VanDerWaalsContact O-N 3.14Å; E284-F286 VanDerWaalsContact C-N 3.32Å; E284-F286 PolarHBondContact O-N 3.14Å; F286-A289 PolarHBondContact O-N 3.41Å; F286-V290 HydrophobicContact CD1-CG2 4.3Å; F286-V290 HydrophobicContact CD2-CG2 4.37Å; F286-V290 HydrophobicContact CE1-CG2 3.92Å; F286-V290 HydrophobicContact CE2-CG2 3.99Å; F286-V290 HydrophobicContact CZ-CG2 3.75Å; F286-V290 WeakPolarHBondContact O-CB 3.26Å; F286-V290 VanDerWaalsContact O-CG2 3.26Å; F286-V290 WeakPolarHBondContact O-CG2 3.42Å; F286-V290 PolarHBondContact O-N 3.01Å
287F66Low63.8Low81 Ų81101.4 Ų101.436%0.35557%0.567SS.*Hα-helixtrans-67.6-39.9178.5-88.1-89.7000112.3I277 M283 E284 A289 V290I277-F287 HydrophobicContact CD1-CD1 4.22Å; I277-F287 HydrophobicContact CD1-CD2 3.71Å; I277-F287 HydrophobicContact CD1-CE1 4.02Å; I277-F287 HydrophobicContact CD1-CE2 3.49Å; I277-F287 VanDerWaalsContact CD1-CE2 3.49Å; I277-F287 HydrophobicContact CD1-CG 4.08Å; I277-F287 HydrophobicContact CD1-CZ 3.65Å; I277-F287 HydrophobicContact CG1-CD2 3.85Å; I277-F287 HydrophobicContact CG1-CE2 3.76Å; I277-F287 HydrophobicContact CG1-CZ 4.4Å; I277-F287 HydrophobicContact CG2-CB 4.25Å; I277-F287 HydrophobicContact CG2-CD2 3.98Å; I277-F287 HydrophobicContact CG2-CG 4.27Å; M283-F287 WeakPolarHBondContact O-CD2 3.46Å; M283-F287 PolarHBondContact O-N 3.36Å; E284-F287 PolarHBondContact O-N 2.95Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 3.16Å; F287-V290 CarbonylContact O-C 3.48Å; F287-V290 PolarHBondContact O-N 3.35Å; F287-V290 VanDerWaalsContact O-N 3.16Å
288N69.4Low61.6Low105 Ų105104.8 Ų104.856%0.56159%0.592SS**Hα-helixtrans-65.1-31.2173.9-74.3-29.3000112.7E284E284-N288 VanDerWaalsContact O-CB 3.31Å; E284-N288 WeakPolarHBondContact O-CB 3.36Å; E284-N288 PolarHBondContact O-N 3.46Å; E284-N288 PolarHBondContact O-ND2 3.5Å; E284-N288 PolarHBondContact OE1-ND2 2.96Å
289A68.2Low59.3Low73 Ų73105.6 Ų105.660%0.60360%0.6SS**Hα-helixtrans-75-32.8171.200000113N285 F286 F287 T291N285-A289 VanDerWaalsContact O-CB 3.26Å; N285-A289 WeakPolarHBondContact O-CB 3.15Å; N285-A289 PolarHBondContact O-N 2.98Å; F286-A289 PolarHBondContact O-N 3.41Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 3.16Å; A289-T291 PolarHBondContact O-N 3.19Å
290V63.6Low57Low54 Ų54110.7 Ų110.733%0.32761%0.613SS.*SBendtrans-82.271.3178.2177.90000110.2F286 F287 I292F286-V290 HydrophobicContact CD1-CG2 4.3Å; F286-V290 HydrophobicContact CD2-CG2 4.37Å; F286-V290 HydrophobicContact CE1-CG2 3.92Å; F286-V290 HydrophobicContact CE2-CG2 3.99Å; F286-V290 HydrophobicContact CZ-CG2 3.75Å; F286-V290 WeakPolarHBondContact O-CB 3.26Å; F286-V290 VanDerWaalsContact O-CG2 3.26Å; F286-V290 WeakPolarHBondContact O-CG2 3.42Å; F286-V290 PolarHBondContact O-N 3.01Å; F287-V290 CarbonylContact O-C 3.48Å; F287-V290 PolarHBondContact O-N 3.35Å; F287-V290 VanDerWaalsContact O-N 3.16Å; V290-I292 VanDerWaalsContact C-N 3.31Å; V290-I292 HydrophobicContact CG1-CD1 4.34Å; V290-I292 HydrophobicContact CG1-CG1 3.87Å; V290-I292 PolarHBondContact O-N 2.86Å
291T50.4Low54.8Low115 Ų115117.2 Ų117.271%0.70664%0.638SS**  trans-66.183172.843.30000111.7A289 S293A289-T291 PolarHBondContact O-N 3.19Å; T291-S293 VanDerWaalsContact C-N 3.27Å; T291-S293 PolarHBondContact O-N 3.24Å
292I50.7Low53Low110 Ų110121.7 Ų121.756%0.56465%0.652SS**  trans-7285.3169.7-49.2-176.6000108.3V290 P294V290-I292 VanDerWaalsContact C-N 3.31Å; V290-I292 HydrophobicContact CG1-CD1 4.34Å; V290-I292 HydrophobicContact CG1-CG1 3.87Å; V290-I292 PolarHBondContact O-N 2.86Å; I292-P294 WeakPolarHBondContact O-CD 3.5Å
293S38.4Very low51Low77 Ų77118.5 Ų118.554%0.53865%0.648SS.*  trans-50.8120.9174.5-610000110.5T291 T295T291-S293 VanDerWaalsContact C-N 3.27Å; T291-S293 PolarHBondContact O-N 3.24Å; S293-T295 PolarHBondContact O-N 2.94Å
294P42.9Very low49.6Very low137 Ų137124.3 Ų124.389%0.8967%0.674SS**SBendtrans-67.321.7-174.3-24.835.7000116.6I292I292-P294 WeakPolarHBondContact O-CD 3.5Å
295T39.1Very low47.6Very low105 Ų105127.4 Ų127.464%0.64469%0.692SS**  trans-123.514.1-150.4-20.10000114.3S293S293-T295 PolarHBondContact O-N 2.94Å
296S40.5Very low46Very low105 Ų105128.3 Ų128.373%0.73470%0.701SS**SBendtrans-110.5-0.1-17057.90000116.1
297L40.4Very low44.1Very low174 Ų174129 Ų12991%0.91171%0.711SS**SBendtrans-103.66177-66.5178.6000114.4
298S35.8Very low42.7Very low90 Ų90130.4 Ų130.463%0.62973%0.73SS**SBendtrans-87.8104.617345.80000112.1K300S298-K300 PolarHBondContact O-N 2.97Å; S298-K300 VanDerWaalsContact O-N 3.15Å
299L34Very low41.1Very low171 Ų171130.8 Ų130.890%0.89574%0.741SS**  trans21.878.4154.5-70.8165.8000116.8K301L299-K301 VanDerWaalsContact C-N 3.26Å; L299-K301 PolarHBondContact O-N 3.27Å
300K35.3Very low39.8Very low215 Ų215136 Ų13694%0.93575%0.754SS**  trans-77.375.2175.6-152.5170.5-167.71750112S298S298-K300 PolarHBondContact O-N 2.97Å; S298-K300 VanDerWaalsContact O-N 3.15Å
301K35.9Very low38.6Very low204 Ų204140.6 Ų140.689%0.88778%0.775SS**  trans-60.8150.3169.2-165.1170.3-179177.10109.9L299L299-K301 VanDerWaalsContact C-N 3.26Å; L299-K301 PolarHBondContact O-N 3.27Å
302Q36.9Very low37.9Very low177 Ų177139.7 Ų139.783%0.82777%0.773SS**  trans-77.8129.2-157.5-165.4169-10.100114.2
303S34.5Very low37.4Very low98 Ų98140.1 Ų140.169%0.68579%0.786SS**  trans42.8117.7158.362.80000120.1
304Q38.8Very low37.4Very low192 Ų192142.5 Ų142.590%0.89780%0.799SS**  trans-130.6143.5140.1-135.8177.39.400109
305I33.4Very low37Very low155 Ų155140.9 Ų140.980%0.79580%0.798SS**  trans-108.3122.2-174.9-60.7167.6000108.3
306V39.3Very low37Very low130 Ų130144.3 Ų144.379%0.78880%0.804SS**  trans-142.7135.5165.8-171.30000109
307N32.2Very low36.7Very low142 Ų142149.8 Ų149.876%0.75981%0.81SS**  trans-103.7175.7176.9-85.3-28.3000111.5
308S36.6Very low36.4Very low109 Ų109145.4 Ų145.476%0.76280%0.799SS**  trans80.1103.1161.466.60000120
309S36Very low36.2Very low113 Ų113148.3 Ų148.379%0.7981%0.807SS**  46.9109.9111.6-46.80000121.5
310Q40.3Very low36.2Very low184 Ų184152 Ų15286%0.8681%0.811SS**  -171.9122.1124.6-99.6163.318.800108.8
311I39Very low36.2Very low150 Ų150151 Ų15177%0.76981%0.81SS**  77.295.681.6-66178000114.1
312S36.7Very low36.1Very low95 Ų95146.4 Ų146.466%0.66480%0.803SS**  trans41.7120.9145.8680000123.5
313S39.6Very low35.9Very low120 Ų120144.2 Ų144.284%0.83980%0.802SS**  83.8153.7127.5-61.60000120.6
314P38.4Very low36.2Very low126 Ų126147.7 Ų147.782%0.81881%0.807SS**  trans-125.6156.3-150.640-24.8000116.4
315A35.1Very low35.8Very low104 Ų104145.1 Ų145.186%0.8680%0.8SS**  trans-148.5153.716200000113
316K38.9Very low35.8Very low177 Ų177146 Ų14677%0.7781%0.806SS**  trans-74.9179-170.7-62.2169.9176.51770114.3
317Y33Very low35.6Very low220 Ų220147.1 Ų147.186%0.86381%0.807SS**  trans80.3141.2169.1-50.4-75.1000115.8
318A35.3Very low35.8Very low82 Ų82144.7 Ų144.768%0.67880%0.801SS**  cis-161.1158.7-20.400000110.2
319N30.4Very low35.8Very low151 Ų151148 Ų14881%0.80781%0.81SS**  trans19.499.5162.1-66.3-0.5000119.1
320Y34.3Very low36Very low247 Ų247147.7 Ų147.797%0.96980%0.797SS**  trans-156.397.2131.5-88.4-64.5000109.3
321Q35.3Very low36.1Very low196 Ų196144.5 Ų144.592%0.91678%0.782SS**  trans-129.5114.6165.7-154.6160.415.400108.3
322S34.9Very low36.2Very low106 Ų106145.3 Ų145.374%0.74179%0.788SS**  trans-67.2145.8-171.6-171.30000111.3Q324S322-Q324 PolarHBondContact O-N 2.94Å
323T31.8Very low36.5Very low132 Ų132149 Ų14981%0.8180%0.795SS**  trans-57.4118.6167.847.20000110.7
324Q40.1Very low36.5Very low171 Ų171150.2 Ų150.280%0.79978%0.781SS**  trans-129.4124153.7-76.7-157.7-25.900110S322S322-Q324 PolarHBondContact O-N 2.94Å
325N32.3Very low36.5Very low138 Ų138152.1 Ų152.174%0.73878%0.783SS**  trans50.772153.5-56.2-0.3000117.1L327N325-L327 PolarHBondContact O-N 2.89Å
326N31.5Very low36.6Very low174 Ų174154.9 Ų154.993%0.9378%0.782SS**  trans-65.790.3141.2-78.4-25.7000108.6
327L35.9Very low36.3Very low153 Ų153154.3 Ų154.380%0.80178%0.782SS**  trans-113.4121151.7-86.6167.9000106.6N325N325-L327 PolarHBondContact O-N 2.89Å
328S36.9Very low36.3Very low91 Ų91152.7 Ų152.764%0.63678%0.782SS**  trans-67.1134.1179.149.70000110.8M330S328-M330 PolarHBondContact O-N 3.32Å
329D36.4Very low36.3Very low177 Ų177156.7 Ų156.795%0.94779%0.791SS**SBendtrans-63.286161.5-71.7-49.4000109.3
330M40.6Very low36.4Very low108 Ų108160.6 Ų160.653%0.53279%0.794SS.*  trans-127.919.8179.9-139.6-15784.300111.5S328 R334S328-M330 PolarHBondContact O-N 3.32Å; M330-R334 PolarHBondContact O-NH2 2.98Å
331E42Very low36.4Very low116 Ų116153.6 Ų153.654%0.54278%0.781SS.*SBendtrans-98.3-37.8-174.5-129.956.8-11300111.8Q333 R334E331-Q333 PolarHBondContact O-N 3.5Å; E331-R334 VanDerWaalsContact CD-NH2 3.35Å; E331-R334 WeakPolarHBondContact O-CB 3.43Å; E331-R334 PolarHBondContact O-N 2.91Å; E331-R334 IonicContact OE1-CZ 3.78Å; E331-R334 IonicContact OE1-NE 3.27Å; E331-R334 PolarHBondContact OE1-NE 3.42Å; E331-R334 IonicContact OE1-NH2 3.55Å; E331-R334 PolarHBondContact OE1-NH2 2.7Å; E331-R334 IonicContact OE2-NH2 2.69Å; E331-R334 PolarHBondContact OE2-NH2 3.28Å
332D42.1Very low36Very low167 Ų167149 Ų14989%0.89377%0.771SS**THydrogen-bonded Turntrans-70.1-1.5-177.2-84.7-5.4000115
333Q42.6Very low36.1Very low173 Ų173149.2 Ų149.281%0.80877%0.77SS**THydrogen-bonded Turntrans-99.9-0.2169.9-64.6-174.11500113.3E331E331-Q333 PolarHBondContact O-N 3.5Å
334R39Very low36Very low146 Ų146152.6 Ų152.655%0.55177%0.773SS**SBendtrans-91.6-9.9-171.4-130.3-172.1-64.6-85.57.8115.5M330 E331M330-R334 PolarHBondContact O-NH2 2.98Å; E331-R334 VanDerWaalsContact CD-NH2 3.35Å; E331-R334 WeakPolarHBondContact O-CB 3.43Å; E331-R334 PolarHBondContact O-N 2.91Å; E331-R334 IonicContact OE1-CZ 3.78Å; E331-R334 IonicContact OE1-NE 3.27Å; E331-R334 PolarHBondContact OE1-NE 3.42Å; E331-R334 IonicContact OE1-NH2 3.55Å; E331-R334 PolarHBondContact OE1-NH2 2.7Å; E331-R334 IonicContact OE2-NH2 2.69Å; E331-R334 PolarHBondContact OE2-NH2 3.28Å
335I38.2Very low35.8Very low165 Ų165149.6 Ų149.685%0.84677%0.772SS**SBendtrans-107.8-12.1-176.1-61.3-179.7000112.8H337I335-H337 VanDerWaalsContact C-N 3.33Å; I335-H337 PolarHBondContact O-N 2.74Å
336L37.7Very low36Very low163 Ų163149.1 Ų149.185%0.85377%0.774SS**THydrogen-bonded Turntrans-92.629.1-176.6-125172.2000113.9
337H32.6Very low36Very low165 Ų165149.2 Ų149.276%0.76477%0.768SS**THydrogen-bonded Turntrans-14022-170.9-145.6-65.3000116.1I335I335-H337 VanDerWaalsContact C-N 3.33Å; I335-H337 PolarHBondContact O-N 2.74Å
338E33Very low36Very low186 Ų186150 Ų15087%0.86977%0.768SS**SBendtrans-126.437.5177.7-154.6168.2-158.100115.2
339I35.6Very low35.9Very low166 Ų166151.2 Ų151.285%0.85177%0.768SS**  trans-12979.1150-54-178.9000107.6S341I339-S341 PolarHBondContact O-N 3.06Å
340R32Very low35.8Very low233 Ų233149.3 Ų149.388%0.87976%0.757SS**  trans-74.5112.7174.9-172.8175.2-175.7171.52.4109.3S342R340-S342 PolarHBondContact O-N 3.33Å
341S33.4Very low35.6Very low99 Ų99148.8 Ų148.869%0.69276%0.764SS**  trans-46.4134.7176.8-41.20000112.5I339 P343I339-S341 PolarHBondContact O-N 3.06Å; S341-P343 VanDerWaalsContact O-CD 3.29Å; S341-P343 WeakPolarHBondContact O-CD 3.38Å
342S28Very low35.4Very low100 Ų100152.3 Ų152.370%0.69978%0.781SS**  trans-69.5118.4166.8-179.80000109.7R340 F344R340-S342 PolarHBondContact O-N 3.33Å; S342-F344 PolarHBondContact O-N 2.62Å
343P36.3Very low35.1Very low111 Ų111153.3 Ų153.372%0.72178%0.777SS**  trans-95.188.3176.534.5-24.9000109.4S341 S345S341-P343 VanDerWaalsContact O-CD 3.29Å; S341-P343 WeakPolarHBondContact O-CD 3.38Å; P343-S345 PolarHBondContact O-N 3.44Å; P343-S345 VanDerWaalsContact O-N 3.14Å
344F30.7Very low34.9Very low202 Ų202152.8 Ų152.889%0.88678%0.779SS**  trans-70.2104.4158.6-100.1-84.9000107.9S342S342-F344 PolarHBondContact O-N 2.62Å
345S36Very low34.7Very low109 Ų109150 Ų15076%0.76279%0.787SS**  trans-146.3138.6171.2-71.60000110.1P343P343-S345 PolarHBondContact O-N 3.44Å; P343-S345 VanDerWaalsContact O-N 3.14Å
346T35.1Very low34.5Very low128 Ų128147.7 Ų147.779%0.78579%0.786SS**  trans-57.3159.8-164-30.60000115.1
347E32.5Very low34.5Very low175 Ų175146.1 Ų146.182%0.81879%0.785SS**  trans-28.2137.9162-55.7163125.700114.9
348E35.7Very low34.7Very low170 Ų170143.4 Ų143.479%0.79479%0.785SS**  -168.9138.6106.4-102.5-160.9-146.400114.4
349N35.4Very low35Very low117 Ų117141.6 Ų141.663%0.62678%0.779SS**  trans47119140.1-66.3-42.3000123.4
350N34.1Very low34.9Very low137 Ų137139.8 Ų139.873%0.73377%0.772SS**  trans78.8100.6133.8-70.6-39000122.6
351S35.2Very low35Very low97 Ų97137.6 Ų137.668%0.67877%0.769SS**  89.2130.2113.6-71.80000121.8
352Q38.6Very low34.8Very low189 Ų189138.7 Ų138.788%0.88378%0.776SS**  trans69.8149.1162.1-59.8178.226.500117.7
353K34.7Very low35.2Very low188 Ų188140.4 Ų140.482%0.81778%0.775SS**  cis169.7118.5-30.4163.7-173.6174.2-171.90106
354L38.8Very low35Very low163 Ų163145 Ų14585%0.85378%0.779SS**  trans164112.9160.3-90.1155.5000105.3
355A35.1Very low35.1Very low86 Ų86140.4 Ų140.471%0.71177%0.772SS**  60.7121.878.100000112.2
356S33.5Very low34.8Very low118 Ų118145.9 Ų145.983%0.82578%0.776SS**  cis-147.1168.322.2-71.30000113.3
357P37.3Very low34.8Very low129 Ų129146.9 Ų146.984%0.83878%0.782SS**  trans-107.9165.6-165.340.1-34.7000116.1
358S38.7Very low34.8Very low109 Ų109142.8 Ų142.876%0.76277%0.773SS**  trans-143.3100.1165.763.50000114.8
359I39.3Very low34.6Very low147 Ų147142.3 Ų142.375%0.75478%0.776SS**  trans60.6113.7132.4-59170.7000119.4
360N33.6Very low34.4Very low129 Ų129142.7 Ų142.769%0.6979%0.787SS**  trans65.3142.4153.2-63-21.4000119.1
361K34Very low34.4Very low187 Ų187140.2 Ų140.281%0.81378%0.781SS**  cis-153.6123.5-7.9-114.9166.9-173.31780108.1
362S29.1Very low34.2Very low122 Ų122142.4 Ų142.485%0.85379%0.785SS**  trans-134.2142.8165.8179.60000107.7
363M35.7Very low34Very low135 Ų135140.1 Ų140.167%0.66578%0.779SS**  trans-125.2132-169.4-85-66.8-116.300112.3
364Y33.1Very low33.9Very low208 Ų208138 Ų13882%0.81678%0.776SS**  trans67.995.4170.5-55.5-64.6000118.2
365S30.9Very low33.7Very low106 Ų106137.4 Ų137.474%0.74177%0.774SS**  trans-134.3137.5144.3-1620000109.3
366R31.3Very low33.5Very low223 Ų223138.5 Ų138.584%0.84278%0.777SS**  trans55.9115167.7-59.1174.5-174.3-174.20.5118.7
367V33.5Very low33.4Very low149 Ų149141.7 Ų141.790%0.90377%0.772SS**  trans-127.7135.3131.4178.30000107.3
368S33.3Very low33.2Very low90 Ų90141.4 Ų141.463%0.62977%0.768SS**  trans-109.2155.4176-500000110
369N30.8Very low32.9Very low160 Ų160141.6 Ų141.686%0.85677%0.769SS**  trans62.7112167.7-51.6-7.3000116.3
370S31.8Very low32.6Very low124 Ų124143.5 Ų143.587%0.86777%0.767SS**  -170.6162.296.2-158.20000113.1
371S34.2Very low32.8Very low86 Ų86145.2 Ų145.260%0.60177%0.774SS**  trans-48.8151.7-176.1-173.60000119
372N31.6Very low32.8Very low142 Ų142144.4 Ų144.476%0.75977%0.767SS**  trans81.5152.8147.9-76.5-8.5000122.5
373N34.3Very low32.8Very low141 Ų141143.8 Ų143.875%0.75476%0.763SS**  trans77.383.7162.3-61.2-13.1000119.4
374N33.2Very low32.7Very low144 Ų144149 Ų14977%0.7778%0.775SS**  33.3131.4122.6-60.3-6.7000121
375N33Very low32.8Very low151 Ų151147.4 Ų147.481%0.80778%0.78SS**  trans79.8146154.2-59.7-13.5000119.3
376S31.2Very low33Very low109 Ų109151.6 Ų151.676%0.76279%0.788SS**  trans61.772.6166.2-59.50000118.1
377Y31.3Very low33Very low184 Ų184148.2 Ų148.272%0.72279%0.786SS**  trans-133.852.4156.6-96.7-81.9000113R380Y377-R380 VanDerWaalsContact CE1-NH2 3.29Å; Y377-R380 PolarHBondContact OH-NH2 3.39Å
378T33.2Very low33Very low123 Ų123149.7 Ų149.776%0.75578%0.783SS**  trans-81167.2142.549.90000109
379S31.6Very low33Very low114 Ų114153.8 Ų153.880%0.79779%0.793SS**  trans64.375.4174.2-54.20000117.4
380R33.8Very low32.9Very low187 Ų187156.3 Ų156.371%0.70679%0.791SS**  trans-155.126150.8-139.9177-70.5172.13.7118Y377Y377-R380 VanDerWaalsContact CE1-NH2 3.29Å; Y377-R380 PolarHBondContact OH-NH2 3.39Å
381I38.9Very low32.9Very low164 Ų164157.2 Ų157.284%0.84179%0.787SS**SBendtrans-105.1-34.2176.9-67.1-179.5000112.8S383I381-S383 PolarHBondContact O-N 3.24Å
382Y32.2Very low32.8Very low171 Ų171159.2 Ų159.267%0.67179%0.791SS**  trans-83.690.4174-68.6-67.9000112.5
383S31Very low32.9Very low108 Ų108159 Ų15976%0.75579%0.79SS**  trans-155.550.9171.5-73.20000113.5I381I381-S383 PolarHBondContact O-N 3.24Å
384R31.7Very low32.9Very low246 Ų246161.2 Ų161.293%0.92879%0.793SS**SBendtrans-146.928.3168.7-145-176.5-173.8-174.31.2115.9
385L36.8Very low32.9Very low174 Ų174161.3 Ų161.391%0.91179%0.793SS**SBendtrans-150.424.9175.7-116.5172000115.5
386Q34.1Very low33Very low194 Ų194161.4 Ų161.491%0.90779%0.794SS**  trans-137.2114.7163.3-73.9-166.2-6.200109.8
387N32.5Very low32.9Very low152 Ų152163.1 Ų163.181%0.81380%0.795SS**  trans-152.735.6170.6-158.363.3000111.5
388E32.3Very low33.2Very low180 Ų180162.2 Ų162.284%0.84180%0.801SS**  trans-101.991.9168.1-83.1-67141.700107.4Y390E388-Y390 PolarHBondContact O-N 3.14Å
389Q33.5Very low33Very low176 Ų176163.6 Ų163.682%0.82280%0.803SS**  trans-80.8100.9-174.1-177.1176.9-13.300109.7N391Q389-N391 PolarHBondContact O-N 2.98Å
390Y29.3Very low33.2Very low212 Ų212163.1 Ų163.183%0.83180%0.8SS**  trans-53.4104.3175.3-91.2-90.1000111.3E388E388-Y390 PolarHBondContact O-N 3.14Å
391N31.6Very low33.3Very low143 Ų143163 Ų16377%0.76581%0.808SS**  trans-117.274.5173.6-164.218.2000109.3Q389 N393Q389-N391 PolarHBondContact O-N 2.98Å; N391-N393 PolarHBondContact O-N 3.37Å
392N31.6Very low32.8Very low129 Ų129165 Ų16569%0.6981%0.81SS**  trans-66.6110.6174-73.4-30000109.7
393N34.9Very low33.1Very low138 Ų138162.5 Ų162.574%0.73882%0.815SS**  trans-166.4155150.2-103.5-40.3000112.8N391N391-N393 PolarHBondContact O-N 3.37Å
394F33.7Very low33.1Very low187 Ų187169.1 Ų169.182%0.8282%0.824SS**  trans63.695.8176.7-65.3-72.9000117.9
395N32.4Very low33.1Very low146 Ų146160.6 Ų160.678%0.78181%0.812SS**  trans-53.4139.5134.2-60-33.2000109.2
396N34.8Very low33.1Very low152 Ų152159.4 Ų159.481%0.81381%0.805SS**  -169.2156.4117-91.7-12.7000109.7
397D30.2Very low33.3Very low146 Ų146157.7 Ų157.778%0.78180%0.797SS**  trans-64.3150.7175.6-44.1-93.3000111.8
398I36.9Very low33.3Very low165 Ų165158.4 Ų158.485%0.84680%0.795SS**  -180145.7122.2-92.9154.5000109.9
399D29.3Very low33.6Very low152 Ų152156 Ų15681%0.81380%0.798SS**  trans-64.7179.6175.2-73.7-72.8000114.3
400S36.1Very low33.6Very low104 Ų104150.8 Ų150.873%0.72779%0.792SS**  trans110.1114156.573.90000119
401E35.5Very low34.2Very low185 Ų185148.8 Ų148.886%0.86480%0.795SS**  trans56.1108.4136.9-56.3-166.9121.500121.6
402F28.7Very low34.4Very low205 Ų205149.8 Ų149.890%0.89980%0.8SS**  trans-52146.1148.8-81.5-89.8000111.6
403P37.4Very low34.7Very low119 Ų119148.6 Ų148.677%0.77380%0.802SS**  -142.8132.6103.634.4-19.9000116.8
404R31.6Very low35.3Very low247 Ų247148.2 Ų148.293%0.93281%0.807SS**  trans16132.1144.4-47.3174.4-163.8-103.90.6120
405G31.3Very low35.4Very low66 Ų66147.9 Ų147.968%0.6881%0.808SS**  trans176143.1147.900000115.5
406I37.1Very low35.4Very low150 Ų150146 Ų14677%0.76981%0.806SS**  trans67.994.1161.2-55.1167.2000114.1
407Q38Very low35.4Very low157 Ų157146.5 Ų146.573%0.73481%0.809SS**  71138.887.4-69.8169.925.600114.4
408Q32.9Very low35.6Very low168 Ų168145 Ų14579%0.78581%0.81SS**  cis-165170.2-9.4-123.7174.54.200110.4
409S38.8Very low35.3Very low129 Ų129139.9 Ų139.990%0.90280%0.797SS**  trans69.8129.9172.273.60000118
410G34.5Very low35.6Very low66 Ų66138 Ų13868%0.6880%0.795SS**  cis178.7160.6-11.400000114.8
411L41.6Very low35.4Very low171 Ų171139.3 Ų139.390%0.89580%0.804SS**  trans58.585.9168.1-46.4-179.4000114.1
412D35.6Very low35.4Very low163 Ų163138.2 Ų138.287%0.87280%0.803SS**  cis65.3121.238.5-131.4-3.5000113.4
413S36.9Very low35.6Very low105 Ų105132.5 Ų132.573%0.73479%0.794SS**PPolyproline II helixtrans-98.3138.1-162.6-62.30000113.3Q415S413-Q415 PolarHBondContact O-N 3.43Å
414P47.8Very low35.5Very low130 Ų130131.6 Ų131.684%0.84479%0.791SS**PPolyproline II helixtrans-70.7118.4165.329.5-31.9000110.2
415Q36.3Very low35.8Very low180 Ų180128.4 Ų128.484%0.84179%0.786SS**PPolyproline II helixtrans-67.5142.3166.8-76.5176.2-122.700111.1S413 D417S413-Q415 PolarHBondContact O-N 3.43Å; Q415-D417 PolarHBondContact O-N 3.28Å
416S32.6Very low36Very low105 Ų105130.6 Ų130.673%0.73479%0.786SS**  trans3086.2143.8-520000118.4S418S416-S418 PolarHBondContact O-N 3.49Å
417D34.9Very low35.9Very low164 Ų164130 Ų13088%0.87779%0.79SS**  trans-9588.6161.7-156.2-9.2000110.8Q415 G419Q415-D417 PolarHBondContact O-N 3.28Å; D417-G419 PolarHBondContact O-N 2.94Å
418S34.2Very low36Very low114 Ų114127 Ų12780%0.79779%0.786SS**  trans-97.171.2-176.4-61.50000111.3S416S416-S418 PolarHBondContact O-N 3.49Å
419G31.4Very low36.3Very low57 Ų57126.9 Ų126.959%0.58879%0.791SS**  trans-169.893.5-178.400000117.9D417D417-G419 PolarHBondContact O-N 2.94Å
420C33.7Very low36.2Very low114 Ų114124.4 Ų124.477%0.7779%0.786SS**  trans-15345.3153.8-123.40000114.9L422C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 PolarHBondContact O-N 2.89Å
421S31.8Very low36.5Very low130 Ų130129.8 Ų129.891%0.90979%0.79SS**  trans-76.579.3166.1-63.50000110.6A423S421-A423 PolarHBondContact O-N 3.24Å
422L37.1Very low36.4Very low162 Ų162128.1 Ų128.185%0.84878%0.782SS**  trans-78.7112.9174.5-78.3169.8000110.9C420C420-L422 VanDerWaalsContact C-N 3.3Å; C420-L422 PolarHBondContact O-N 2.89Å
423A32.7Very low36.4Very low86 Ų86123.9 Ų123.971%0.71178%0.777SS**  trans-101.7176.5179.500000112.7S421S421-A423 PolarHBondContact O-N 3.24Å
424S34.7Very low36.5Very low100 Ų100128.2 Ų128.270%0.69978%0.783SS**  trans79137.5171.4-460000115.7
425H37.5Very low35.9Very low179 Ų179129 Ų12983%0.82978%0.78SS**  cis-131.6-170.3-2.3-58.1-90.9000108.7
426T35Very low35.9Very low113 Ų113126.7 Ų126.769%0.69378%0.778SS**  cis-151.1148.78.535.90000109.8
427T36Very low35.8Very low137 Ų137128 Ų12884%0.8478%0.782SS**  trans60.5145.315352.60000118.9
428S40.3Very low35.7Very low95 Ų95128 Ų12866%0.66478%0.782SS**  cis-150.7149.314.150.90000112.8
429D38.4Very low35.7Very low164 Ų164127 Ų12788%0.87778%0.78SS**  trans45.7136147.2-48.9-30.8000122
430G37.9Very low35.6Very low77 Ų77135 Ų13579%0.79480%0.799SS**  trans-172.2-27.317600000122.2
431K40.4Very low35.6Very low180 Ų180132.8 Ų132.878%0.78380%0.796SS**  trans65137.3177.2-81.5179.2150.2-90.60120.3
432D39.5Very low35.5Very low135 Ų135138.4 Ų138.472%0.72280%0.797SS**  trans37.6128.6133.9-38.9-27000120.8
433G35.8Very low35.4Very low74 Ų74136.6 Ų136.676%0.76379%0.792SS**  cis157.1161.7-8.100000114.5
434K38Very low35.3Very low196 Ų196138.7 Ų138.785%0.85280%0.796SS**  trans78.795.7164.3-58.2-175.2178.3-177.90121.9
435D35.8Very low35.2Very low147 Ų147138.7 Ų138.779%0.78680%0.802SS**  33.2138.1111.4-41.9-49.1000122.8
436V35.6Very low35Very low131 Ų131133.4 Ų133.479%0.79480%0.796SS**  162.2117.2111.2165.20000114.2
437T30.9Very low34.9Very low133 Ų133134.7 Ų134.782%0.81680%0.803SS**  trans5.6154.2157.464.30000126.5
438N33.3Very low34.9Very low164 Ų164135.9 Ų135.988%0.87780%0.8SS**  trans-68.9156171-66.2-33.3000117.4
439A33.8Very low34.6Very low93 Ų93137.1 Ų137.177%0.76980%0.799SS**  trans-151.1122.9152.100000109.2
440F29.8Very low34.4Very low226 Ų226138.9 Ų138.999%0.99179%0.794SS**  83.6113.971.8-100.5-70.3000117
441G33Very low34.2Very low67 Ų67141 Ų14169%0.69179%0.788SS**  trans168.8113.8163.500000111.7
442R31Very low33.9Very low248 Ų248138.6 Ų138.694%0.93678%0.783SS**  66.5133.179.1-95.7-169.6176.7-152.91.6113.2
443V33.9Very low33.8Very low124 Ų124136.6 Ų136.675%0.75278%0.78SS**  cis-144.4172.921.3-177.20000112.6
444T31.7Very low33.8Very low130 Ų130139.8 Ų139.880%0.79878%0.78SS**  trans-70.3-174.1175.754.50000115.2
445A32.5Very low33.6Very low99 Ų99137.7 Ų137.782%0.81878%0.778SS**  cis-164.6177.22100000114.7
446G32Very low33.3Very low68 Ų68142 Ų14270%0.70178%0.783SS**  trans103121.8168.200000114.9
447V34.3Very low33.4Very low140 Ų140144 Ų14485%0.84879%0.788SS**  cis78.2134.429.6-169.60000112.4
448E35.6Very low33.4Very low163 Ų163144.4 Ų144.476%0.76279%0.786SS**  cis-113.4173.714.8-59.3173.1138.700114
449N32.6Very low33.6Very low121 Ų121143.4 Ų143.465%0.64779%0.785SS**  cis11083.5-9.5-158.1106.9000120.7
450Y35.3Very low33.5Very low200 Ų200150.5 Ų150.578%0.78479%0.792SS**  trans-159.1119152.6-80.4-68.1000108.6
451D33.7Very low33.6Very low123 Ų123151.6 Ų151.666%0.65879%0.789SS**  79.1143.967-75.8-32.5000114.4
452N34.4Very low33.7Very low128 Ų128156.5 Ų156.568%0.68480%0.799SS**  cis-155.8158.514.9-151.9-26.1000113.9
453S36.1Very low33.8Very low94 Ų94150.7 Ų150.766%0.65779%0.791SS**  trans66.5148.414675.40000120.9
454N35.7Very low33.8Very low141 Ų141153 Ų15375%0.75479%0.794SS**  cis-160.6170.8-15-117.5-24.9000114
455N35.2Very low33.9Very low151 Ų151151.4 Ų151.481%0.80779%0.786SS**  trans72.9106159.2-67.4-5.8000120.7
456R29.4Very low33.9Very low238 Ų238155 Ų15590%0.89879%0.785SS**  trans-73155.1159.2-56.9165.1169.4176.7-5.9111.4
457L36.8Very low33.9Very low172 Ų172161.6 Ų161.690%0.90179%0.79SS**  trans-153.4159135-124131.7000111.3
458N31.4Very low33.8Very low143 Ų143160.8 Ų160.877%0.76578%0.781SS**  trans-87.4155.5-167.4-53.5-63.7000113.2
459V38.3Very low33.6Very low143 Ų143162.9 Ų162.987%0.86779%0.788SS**  -161.6150.4127.3136.80000111.1
460R31.8Very low33.5Very low241 Ų241165.1 Ų165.191%0.90980%0.795SS**  trans-43137.5-175.8-60.4162.8175.4153.4-3.2115.7
461R31.8Very low33.6Very low249 Ų249163.1 Ų163.194%0.9480%0.796SS**  trans-106.3136.7145.4-89.8-169174.8-168-0.9109.2
462L34.7Very low33.4Very low171 Ų171166.4 Ų166.490%0.89581%0.808SS**  trans-83.9152.4171.6-155.971.4000109.9
463T31.8Very low33.4Very low126 Ų126163.7 Ų163.777%0.77380%0.803SS**  trans-82130.8-17248.80000113.5
464Q34.8Very low33.2Very low172 Ų172167.2 Ų167.280%0.80481%0.814SS**  trans-133.2137.7159-79.5-68.9-4.700108.3H466Q464-H466 PolarHBondContact O-N 3.19Å
465P33.6Very low33.2Very low97 Ų97167 Ų16763%0.6381%0.813SS**  trans-84.7110-169.531.8-32.6000112.5Y467P465-Y467 PolarHBondContact O-N 3.39Å
466H33.6Very low33.2Very low173 Ų173169.7 Ų169.780%0.80182%0.818SS**  trans-74.4103.1166.2-95.8-86.1000110.7Q464 N468Q464-H466 PolarHBondContact O-N 3.19Å; H466-N468 VanDerWaalsContact C-N 3.3Å; H466-N468 PolarHBondContact O-N 2.95Å
467Y31Very low33.3Very low207 Ų207164.2 Ų164.281%0.81281%0.811SS**  trans-74.281.5164-84.6-86.6000110.6P465 F469P465-Y467 PolarHBondContact O-N 3.39Å; Y467-F469 PolarHBondContact O-N 3.43Å
468N32.3Very low33.2Very low124 Ų124163.7 Ų163.766%0.66381%0.807SS**  trans-85.4105.1164.8-89.79.7000109.9H466 Q470H466-N468 VanDerWaalsContact C-N 3.3Å; H466-N468 PolarHBondContact O-N 2.95Å; N468-Q470 PolarHBondContact O-N 2.95Å; N468-Q470 VanDerWaalsContact O-N 3.1Å
469F31Very low33.1Very low206 Ų206161.7 Ų161.790%0.90480%0.804SS**  trans-67.5101156.9-92.1-90.8000108.5Y467Y467-F469 PolarHBondContact O-N 3.43Å
470Q31.9Very low33.2Very low169 Ų169160.8 Ų160.879%0.7980%0.801SS**  trans-122.3121.3171-157.4165.521.200109.7N468N468-Q470 PolarHBondContact O-N 2.95Å; N468-Q470 VanDerWaalsContact O-N 3.1Å
471I36.4Very low33.2Very low157 Ų157154 Ų15481%0.80579%0.791SS**  trans-67.1139.4-174.1-66.9165.9000110A473I471-A473 PolarHBondContact O-N 3.12Å
472E29.3Very low33.2Very low193 Ų193153.2 Ų153.290%0.90279%0.788SS**  trans-64.298.6177.9-65-175.5119.900111.7
473A35.4Very low33.1Very low70 Ų70156.4 Ų156.458%0.57979%0.788SS**  trans-134.493.9170.400000109.2I471 N475I471-A473 PolarHBondContact O-N 3.12Å; A473-N475 PolarHBondContact O-N 3.24Å
474N32Very low33.1Very low169 Ų169156.4 Ų156.490%0.90478%0.784SS**  trans-72.559.9-177.5-90.9-44.9000113.1K476N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 VanDerWaalsContact O-N 3.14Å
475N35.2Very low33.2Very low137 Ų137158.7 Ų158.773%0.73379%0.785SS**  trans-81.787175.9-77.4-16.6000110.8A473 T477A473-N475 PolarHBondContact O-N 3.24Å; N475-T477 PolarHBondContact O-N 3.44Å; N475-T477 VanDerWaalsContact O-N 3.09Å
476K34.5Very low33.3Very low206 Ų206158.7 Ų158.790%0.89679%0.787SS**  trans-78.888.7170.2-144.5178-169.8-178.80109.8N474 I478N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 VanDerWaalsContact O-N 3.14Å; K476-I478 PolarHBondContact O-N 2.9Å
477T32.5Very low33.5Very low123 Ų123162.5 Ų162.576%0.75579%0.794SS**  trans-71119.8-179.140.50000112.3N475N475-T477 PolarHBondContact O-N 3.44Å; N475-T477 VanDerWaalsContact O-N 3.09Å
478I33.4Very low33.7Very low161 Ų161156.2 Ų156.283%0.82679%0.793SS**  trans-133.2126.7155.9-62.2-176.6000107.7K476K476-I478 PolarHBondContact O-N 2.9Å
479S30.3Very low34Very low101 Ų101153.3 Ų153.371%0.70679%0.792SS**  trans-112.9-172.9177.3-50.70000109.1
480P40.1Very low34.5Very low124 Ų124151 Ų15181%0.80579%0.789SS**  -121.6-169.2-58.835-20.1000110.5
481S31.1Very low35.1Very low100 Ų100151.3 Ų151.370%0.69979%0.791SS**  trans148.4118.9130.5-169.10000116
482R32.2Very low35.4Very low231 Ų231151.2 Ų151.287%0.87279%0.792SS**  trans39.1112.5140.3-58.4177.6173.2-157.6-3.1121.1
483R33.3Very low36.2Very low238 Ų238150.9 Ų150.990%0.89879%0.79SS**  164.4147.9122.9-95.7-179.1179.9151.92.8109.7
484D31.8Very low36.4Very low126 Ų126155 Ų15567%0.67480%0.802SS**  cis-165.1163.8-14.8-150.7-34.6000108
485R37Very low36.7Very low220 Ų220156.5 Ų156.583%0.8380%0.801SS**  trans66.7156.9170.7-51.4167.7-172-175.10.9116.8
486S34.3Very low36.7Very low97 Ų97157.5 Ų157.568%0.67881%0.807SS**  cis-175.2146.3-29.457.20000110.1
487R38.2Very low37Very low253 Ų253153.2 Ų153.296%0.95580%0.803SS**  trans68.4146.9178.5-57.7174.3163.9-178-8.1115.5
488G36.7Very low37Very low76 Ų76156.6 Ų156.678%0.78481%0.81SS**  cis143.8120.2-1400000114.4
489G37Very low37.3Very low62 Ų62154 Ų15464%0.63981%0.806SS**  trans72.7161.6172.200000116.4
490D41.4Very low37.8Very low158 Ų158158.2 Ų158.285%0.84581%0.812SS**  cis-164.1-171.8-19.9-89.7-41.7000106.8
491E45.3Very low37.6Very low175 Ų175159.3 Ų159.382%0.81881%0.811SS**  trans74.488.1162.5-59175.4-157.700117.9
492D42.1Very low37.8Very low156 Ų156163 Ų16383%0.83482%0.822SS**  40.6138114.4-48-22.2000122.2
493E46.5Very low38.2Very low186 Ų186162.9 Ų162.987%0.86982%0.822SS**  trans-179.4122133.3-95.6-83.8170.300108.5
494D38.9Very low38.4Very low155 Ų155157.6 Ų157.683%0.82982%0.819SS**  trans-82.9138.5-176.7-75.9-52.1000112.4
495F38.8Very low38.6Very low202 Ų202162 Ų16289%0.88683%0.832SS**  trans-153.4106.4152.8-118-74.5000113.2
496D36.1Very low38.5Very low157 Ų157154.4 Ų154.484%0.8482%0.822SS**  trans-66.7136.3174.3-94-46.9000112.7
497S40.1Very low38.4Very low117 Ų117159.6 Ų159.682%0.81883%0.833SS**  trans-162.6108159-83.10000111.5
498E32.9Very low38.2Very low194 Ų194154.5 Ų154.591%0.90783%0.829SS**  trans-64.8130.7178.1-54.5177.7103.500112.4
499S39.6Very low38Very low106 Ų106156.2 Ų156.274%0.74183%0.829SS**  trans-175106.8135.132.90000116.5
500K39.9Very low37.9Very low189 Ų189161.6 Ų161.682%0.82284%0.842SS**  55.7126.9126.6-66.3173.8-178.1169.30121.2
501N37Very low37.6Very low147 Ų147162.6 Ų162.679%0.78685%0.847SS**  trans81.881.2143.1-57-8.7000119.3R503N501-R503 PolarHBondContact O-N 3.29Å
502N35Very low37.2Very low177 Ų177165.8 Ų165.895%0.94785%0.851SS**  trans-65.8114.2150.9-85.1-37.1000110.8
503R39.8Very low37Very low229 Ų229170 Ų17086%0.86486%0.855SS**  trans-141.2132.5164.2-157.3173.5-169.1-175.73.1109.2N501N501-R503 PolarHBondContact O-N 3.29Å
504P38.9Very low36.6Very low127 Ų127166.5 Ų166.583%0.82585%0.852SS**  trans-68.5150.7-171.525.8-34.3000113.1
505K36.2Very low36.4Very low220 Ų220170.5 Ų170.596%0.95786%0.855SS**  trans-83.2124.3-173.9-63.4170.2-179.5172.30111.3
506G33.8Very low36.3Very low60 Ų60166.8 Ų166.862%0.61985%0.854SS**  trans179.6142170.600000112.9
507F33Very low36.4Very low206 Ų206164.9 Ų164.990%0.90485%0.853SS**  trans55.280168.7-62.5-79.6000119.1
508V32.6Very low36.1Very low146 Ų146163.6 Ų163.689%0.88585%0.85SS**  trans-142.2106.9147.1-178.50000109.6
509S33.2Very low36.1Very low111 Ų111158.2 Ų158.278%0.77684%0.838SS**  trans-170.542.5172.443.80000116.5
510L36Very low35.7Very low175 Ų175160 Ų16092%0.91684%0.84SS**  trans-135.360.8169.8-83.2-178.8000114
511L34.3Very low35.7Very low179 Ų179160.6 Ų160.694%0.93785%0.845SS**  trans-154.173.5166.6-155.974.7000113.7
512R36.5Very low35.5Very low243 Ų243159.2 Ų159.292%0.91784%0.842SS**  trans-159.190.5169.1-167.5177.7-72-169.2-1.4114.8
513R38.4Very low35.3Very low244 Ų244158.8 Ų158.892%0.92184%0.836SS**  trans-171.4129.9155.8-101.2174.3-178.7-164-0.6106.3
514S38.8Very low35.2Very low113 Ų113156.7 Ų156.779%0.7984%0.838SS**  cis-147.1158.5-0.8-68.50000109.7
515R33.2Very low34.9Very low238 Ų238157.8 Ų157.890%0.89884%0.837SS**  trans-102.7139173.6-68.1174.368.7-169.13.3110.1
516S38Very low34.5Very low125 Ų125150.6 Ų150.687%0.87483%0.826SS**  trans172.1140.1156.7-77.60000107.8
517S37.8Very low34.7Very low116 Ų116158 Ų15881%0.81184%0.841SS**  cis-155.2-179-11-161.40000110.8
518A32.5Very low34.7Very low91 Ų91158.4 Ų158.475%0.75284%0.837SS**  trans-45.9159.9168.600000115.1
519A33.9Very low34.9Very low80 Ų80157.1 Ų157.166%0.66183%0.834SS**  cis-165.9179-9.300000109.9
520D31.3Very low35.1Very low145 Ų145157.7 Ų157.778%0.77582%0.824SS**  trans29.1109.1154.2-54-25.1000119
521H39.1Very low35.5Very low201 Ų201158 Ų15893%0.93183%0.826SS**  -148129.7127.1-115.5-74.9000112.4
522V32.4Very low35.5Very low118 Ų118156.7 Ų156.772%0.71582%0.82SS**  trans-78.9135.9-175.4172.50000111
523M31.4Very low35.3Very low167 Ų167150.5 Ų150.582%0.82381%0.814SS**  trans30.1120.5160.2-57-175.9-55.200119.2
524M38Very low35.3Very low185 Ų185144.6 Ų144.691%0.91181%0.808SS**  -153.4152.5126.5-113-55.2160.400112.6
525N32.8Very low35Very low150 Ų150145.8 Ų145.880%0.80281%0.814SS**  trans-89.2151.4-179.3-78.2-19.8000112.3
526G28.4Very low35Very low70 Ų70139.1 Ų139.172%0.72280%0.804SS**  trans71.397.2131.900000118.7
527F37.3Very low35Very low214 Ų214139.3 Ų139.394%0.93980%0.795SS**  trans-12892150-82.8-78000110.6
528R31.6Very low34.8Very low216 Ų216139.6 Ų139.682%0.81579%0.788SS**  trans-85.9141.4146.3-82.3-170.5174.3-132.61.8107.4E530R528-E530 WeakPolarHBondContact CD-OE1 3.26Å; R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 IonicContact NE-OE1 2.72Å; R528-E530 IonicContact NH1-OE1 3.67Å; R528-E530 PolarHBondContact NH1-OE1 2.92Å
529S38.4Very low35Very low119 Ų119140.4 Ų140.483%0.83278%0.783SS**  trans-142.5111161.4-167.70000107.4
530E36Very low35Very low122 Ų122143.4 Ų143.457%0.5779%0.787SS**  trans-99.1133.3-175.6-71.6167.3-161.500109.7R528 N532R528-E530 WeakPolarHBondContact CD-OE1 3.26Å; R528-E530 IonicContact CZ-OE1 2.62Å; R528-E530 IonicContact NE-OE1 2.72Å; R528-E530 IonicContact NH1-OE1 3.67Å; R528-E530 PolarHBondContact NH1-OE1 2.92Å; E530-N532 PolarHBondContact O-N 3.14Å
531L45.4Very low35.2Very low182 Ų182142.6 Ų142.695%0.95378%0.783SS**  trans-84.8101.6176.4-72.6171.3000109.9
532N34.5Very low35Very low151 Ų151140.8 Ų140.881%0.80777%0.774SS**  trans-79.9128.3178.7-91.6-25.7000113.2E530E530-N532 PolarHBondContact O-N 3.14Å
533S33Very low35.1Very low114 Ų114141.9 Ų141.980%0.79778%0.776SS**  trans-163.1150158-104.40000111.2
534P38.5Very low35.1Very low120 Ų120145 Ų14578%0.77978%0.779SS**  -125.9156.2-91.238.3-29.7000114
535C32.5Very low35.1Very low137 Ų137140.2 Ų140.293%0.92677%0.768SS**  trans-92.7144.6161.7-77.80000110.8
536S33.2Very low35.4Very low99 Ų99138 Ų13869%0.69277%0.765SS**  trans-105.5166.8179.3-169.10000110.7
537N36.1Very low35.7Very low129 Ų129142 Ų14269%0.6977%0.768SS**  trans70.9142.3170.1-61.552.3000114.4
538D35.2Very low35.8Very low121 Ų121139.1 Ų139.165%0.64776%0.762SS**  cis-157165-3.7-128-37.6000113.9
539T35.3Very low36.1Very low108 Ų108135.1 Ų135.166%0.66376%0.762SS**  trans63.1119.7152.550.90000123.1
540I35.5Very low36.2Very low144 Ų144134 Ų13474%0.73875%0.752SS**  100.9129.2121.7-73.7171.4000121.5
541N35.2Very low36.2Very low128 Ų128133.7 Ų133.768%0.68476%0.759SS**  trans73.287158.7-71.3-10.3000122.6
542H33.6Very low35.8Very low163 Ų163131.3 Ų131.376%0.75575%0.754SS**  36.8111.9113.4-56.7-59.6000120.3
543N35.8Very low35.8Very low140 Ų140129.2 Ų129.275%0.74975%0.747SS**  -179.6124.7106.1-95.5-66.7000109.2
544R30.3Very low35.7Very low234 Ų234132 Ų13288%0.88375%0.747SS**  70.412089.6-161.9-179.7-173.6-168.62.8111.4
545A38.5Very low35.4Very low83 Ų83132.4 Ų132.469%0.68675%0.753SS**  cis-148.717631.100000114.5
546S39Very low35.3Very low105 Ų105129.3 Ų129.373%0.73474%0.744SS**  trans52.9115.7165.1-65.20000117.5
547I35.7Very low35.3Very low154 Ų154129.8 Ų129.879%0.7975%0.754SS**  cis54102.228-47.5178000112.9
548D39.7Very low35.3Very low152 Ų152129.6 Ų129.681%0.81376%0.762SS**  trans-145.7119.3139.9-107.7-38.1000110
549T36.9Very low35.3Very low133 Ų133127.3 Ų127.382%0.81677%0.767SS**  trans-132.1124.1165.2-53.80000106.1
550P40.5Very low35.4Very low96 Ų96127.5 Ų127.562%0.62377%0.771SS**  trans-142.2140.4152.936.9-21.9000116.2
551T36Very low35.3Very low115 Ų115128.2 Ų128.271%0.70677%0.771SS**  trans52.2129.8140.256.40000122.6
552P36.5Very low35.4Very low131 Ų131129.5 Ų129.585%0.85177%0.773SS**  trans-100.4105.315334.5-23.8000111.8
553T34.1Very low35.3Very low108 Ų108131.4 Ų131.466%0.66378%0.775SS**  trans-146.6119.8176.3-310000114.2
554E30.8Very low35.4Very low173 Ų173133.3 Ų133.381%0.80878%0.779SS**  trans23.7156.2148.1-53.4-174.9124.300124.8
555S33.4Very low35.5Very low128 Ų128130 Ų13090%0.89578%0.777SS**  trans84.8137.3168.2-44.80000117.1
556G29.1Very low35.1Very low71 Ų71132.1 Ų132.173%0.73279%0.786SS**  cis167.5142-8.700000113.3
557A33.3Very low34.7Very low110 Ų110130.1 Ų130.191%0.90978%0.781SS**  trans64.8156.7-178.200000115.7
558S37.6Very low34.7Very low124 Ų124130.2 Ų130.287%0.86778%0.784SS**  cis-141.91666.361.80000112.4
559G33.8Very low34.7Very low73 Ų73131 Ų13175%0.75378%0.783SS**  trans121.494.2176.400000113.3
560P38.8Very low35.1Very low113 Ų113135.6 Ų135.673%0.73479%0.785SS**  trans-102.4170-170.940.3-35.9000114.2
561E33.2Very low35.7Very low158 Ų158138.5 Ų138.574%0.73879%0.788SS**  trans71148.7170.5-55.4-169.4-151.600115.6
562Q36.4Very low36.6Very low156 Ų156138.6 Ų138.673%0.72979%0.79SS**  cis-140.8173.415.4-142.5153.262.900112.2
563Y32.1Very low37.7Very low202 Ų202134 Ų13479%0.79277%0.767SS**  trans-40159.6178.9-70.2-106.1000115.6
564E36.6Very low39.4Very low180 Ų180134 Ų13484%0.84176%0.763SS**  cis-158.1167.538.8-157.5161.4-115.900114.9
565I32.7Very low41.3Very low164 Ų164136.1 Ų136.184%0.84176%0.763SS**  trans-100.5119.5-177.3-61.5166.5000110.8
566C30.9Very low43.2Very low129 Ų129134 Ų13487%0.87274%0.741SS**  trans-150.7144146.9-155.10000110.9
567G30.9Very low45.4Very low62 Ų62133.7 Ų133.764%0.63973%0.729SS**  trans-87.5151.1-176.200000113.2
568N35.7Very low47.5Very low156 Ų156138.4 Ų138.483%0.83472%0.723SS**  trans-156.4151.9147.8-122.3-47.6000111.6R570N568-R570 PolarHBondContact O-N 3.43Å; N568-R570 VanDerWaalsContact O-N 3.15Å
569E38.7Very low49.3Very low170 Ų170137.6 Ų137.679%0.79471%0.708SS**  trans-69.9107.9-170.6-61.9179.4166.600111.7K571E569-K571 VanDerWaalsContact C-N 3.35Å; E569-K571 PolarHBondContact O-N 3.47Å
570R45.7Very low51.2Low229 Ų229141.6 Ų141.686%0.86470%0.701SS**  trans-73.587.6177.4-70.6-174.2-179.2160.12.5110.9N568N568-R570 PolarHBondContact O-N 3.43Å; N568-R570 VanDerWaalsContact O-N 3.15Å
571K52.6Low52.6Low157 Ų157138.7 Ų138.768%0.68369%0.686SS**  trans-50.4145.9175.7-68.2178.8179.1177.20111.3E569 G573 D574E569-K571 VanDerWaalsContact C-N 3.35Å; E569-K571 PolarHBondContact O-N 3.47Å; K571-G573 PolarHBondContact O-N 3Å; K571-D574 PolarHBondContact O-N 3.18Å
572P56.1Low54.5Low116 Ų116134.5 Ų134.575%0.75367%0.674SS**THydrogen-bonded Turntrans-61.5-14.7-175.622.9-33.7000115D574 R575 L576P572-D574 VanDerWaalsContact C-N 3.26Å; P572-D574 PolarHBondContact O-N 3.24Å; P572-R575 PolarHBondContact O-N 3.31Å; P572-L576 PolarHBondContact O-N 3.36Å
573G60.2Low56Low36 Ų36131.4 Ų131.437%0.37166%0.662SS.*Hα-helixtrans-59-28.5176.900000114.9K571 L576 S577K571-G573 PolarHBondContact O-N 3Å; G573-L576 PolarHBondContact O-N 3Å; G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.45Å; G573-S577 PolarHBondContact O-N 3.44Å; G573-S577 PolarHBondContact O-OG 3.19Å
574D68.8Low57.5Low106 Ų106129.7 Ų129.757%0.56765%0.654SS**Hα-helixtrans-69.4-38.3-178.9-71.8-8.4000112.1K571 P572 S577 R578K571-D574 PolarHBondContact O-N 3.18Å; P572-D574 VanDerWaalsContact C-N 3.26Å; P572-D574 PolarHBondContact O-N 3.24Å; D574-S577 PolarHBondContact O-N 3.41Å; D574-R578 WeakPolarHBondContact O-CB 3.49Å; D574-R578 PolarHBondContact O-N 3.37Å
575R70.8Confident58.9Low218 Ų218128.9 Ų128.982%0.82365%0.65SS**Hα-helixtrans-65.7-45.6174.9-76.6-172.5171.1-160.6-2110.8P572 S577 R578 L579P572-R575 PolarHBondContact O-N 3.31Å; R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.25Å; R575-R578 PolarHBondContact O-N 3.22Å; R575-L579 WeakPolarHBondContact O-CB 3.46Å; R575-L579 PolarHBondContact O-N 3.06Å
576L73Confident60.4Low83 Ų83125.2 Ų125.244%0.43564%0.64SS.*Hα-helixtrans-64-38.2177.5-175.164.9000112P572 G573 L579 R580P572-L576 PolarHBondContact O-N 3.36Å; G573-L576 PolarHBondContact O-N 3Å; L576-L579 PolarHBondContact O-N 2.97Å; L576-R580 WeakPolarHBondContact O-CB 3.23Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.21Å
577S75.7Confident61.6Low66 Ų66125.7 Ų125.746%0.46263%0.627SS.*Hα-helixtrans-67.2-41.9177.1-59.30000111.9G573 D574 R575 R580 A581G573-S577 VanDerWaalsContact O-CB 3.31Å; G573-S577 WeakPolarHBondContact O-CB 3.45Å; G573-S577 PolarHBondContact O-N 3.44Å; G573-S577 PolarHBondContact O-OG 3.19Å; D574-S577 PolarHBondContact O-N 3.41Å; R575-S577 VanDerWaalsContact C-N 3.33Å; R575-S577 PolarHBondContact O-N 3.25Å; S577-R580 PolarHBondContact O-N 3.03Å; S577-A581 PolarHBondContact O-N 2.83Å
578R76.3Confident62.6Low209 Ų209125.6 Ų125.679%0.78963%0.626SS**Hα-helixtrans-66.5-36.9174.3-166.4175.8-70.5-154.1-2.4112.1D574 R575 A581 S582D574-R578 WeakPolarHBondContact O-CB 3.49Å; D574-R578 PolarHBondContact O-N 3.37Å; R575-R578 PolarHBondContact O-N 3.22Å; R578-A581 PolarHBondContact O-N 3.31Å; R578-S582 PolarHBondContact O-N 3.49Å
579L75.7Confident63.6Low107 Ų107125.3 Ų125.356%0.5661%0.613SS**Hα-helixtrans-64.3-46.1173.4-163.182.3000111.8R575 L576 A581 S582 L583R575-L579 WeakPolarHBondContact O-CB 3.46Å; R575-L579 PolarHBondContact O-N 3.06Å; L576-L579 PolarHBondContact O-N 2.97Å; L579-A581 VanDerWaalsContact C-N 3.32Å; L579-A581 PolarHBondContact O-N 2.84Å; L579-S582 PolarHBondContact O-N 2.92Å; L579-L583 PolarHBondContact O-N 3.07Å
580R73.7Confident64.2Low157 Ų157121.2 Ų121.259%0.59260%0.601SS**Hα-helixtrans-60.5-38.3174.8-77.6175.6175.1167.9-2.2112.6L576 S577 R584L576-R580 WeakPolarHBondContact O-CB 3.23Å; L576-R580 WeakPolarHBondContact O-CG 3.44Å; L576-R580 PolarHBondContact O-N 3.21Å; S577-R580 PolarHBondContact O-N 3.03Å; R580-R584 WeakPolarHBondContact O-CG 3.47Å; R580-R584 PolarHBondContact O-N 3.02Å
581A69.7Low64.4Low52 Ų52119 Ų11943%0.4361%0.606SS.*Hα-helixtrans-64.5-44.3175.300000111.6S577 R578 L579 R584 Q585S577-A581 PolarHBondContact O-N 2.83Å; R578-A581 PolarHBondContact O-N 3.31Å; L579-A581 VanDerWaalsContact C-N 3.32Å; L579-A581 PolarHBondContact O-N 2.84Å; A581-R584 PolarHBondContact O-N 3.5Å; A581-Q585 PolarHBondContact O-N 2.83Å; A581-Q585 VanDerWaalsContact O-N 3.13Å
582S73.2Confident64.5Low70 Ų70115.6 Ų115.649%0.4960%0.602SS.*Hα-helixtrans-62.1-43.4175.7-1760000112.4R578 L579 R584 Q585 S586R578-S582 PolarHBondContact O-N 3.49Å; L579-S582 PolarHBondContact O-N 2.92Å; S582-R584 PolarHBondContact O-N 3.28Å; S582-Q585 PolarHBondContact O-N 3.14Å; S582-S586 PolarHBondContact O-N 3.36Å
583L67.6Low64.4Low90 Ų90119.4 Ų119.447%0.47161%0.607SS.*Hα-helixtrans-60.1-42.8174.3-11487.3000112.5L579 Q585 S586 F587L579-L583 PolarHBondContact O-N 3.07Å; L583-Q585 VanDerWaalsContact C-N 3.27Å; L583-Q585 PolarHBondContact O-N 3.07Å; L583-S586 WeakPolarHBondContact CA-OG 3.39Å; L583-S586 PolarHBondContact O-N 3.04Å; L583-S586 PolarHBondContact O-OG 3.31Å; L583-F587 HydrophobicContact CD2-CE2 4.08Å; L583-F587 HydrophobicContact CG-CD2 4.41Å; L583-F587 HydrophobicContact CG-CE2 4.16Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 3.29Å; L583-F587 VanDerWaalsContact O-N 3.1Å
584R63.2Low64.1Low166 Ų166121.1 Ų121.163%0.62661%0.611SS**Hα-helixtrans-64.7-31.7179-76.3178.2174.9-160.2-2.7112.6R580 A581 S582 W589R580-R584 WeakPolarHBondContact O-CG 3.47Å; R580-R584 PolarHBondContact O-N 3.02Å; A581-R584 PolarHBondContact O-N 3.5Å; S582-R584 PolarHBondContact O-N 3.28Å; R584-W589 PolarHBondContact O-N 3.26Å
585Q64.8Low63.7Low163 Ų163120.1 Ų120.176%0.76261%0.606SS**Hα-helixtrans-72.1-44.2170.9-71.7-177-53.800112.1A581 S582 L583 F587 G588A581-Q585 PolarHBondContact O-N 2.83Å; A581-Q585 VanDerWaalsContact O-N 3.13Å; S582-Q585 PolarHBondContact O-N 3.14Å; L583-Q585 VanDerWaalsContact C-N 3.27Å; L583-Q585 PolarHBondContact O-N 3.07Å; Q585-F587 VanDerWaalsContact C-N 3.31Å; Q585-F587 PolarHBondContact O-N 3.46Å; Q585-G588 PolarHBondContact O-N 2.94Å; Q585-G588 VanDerWaalsContact O-N 3.15Å
586S64.3Low63.6Low88 Ų88116.2 Ų116.262%0.61560%0.595SS**Hα-helixtrans-67.1-28.2-176.563.90000114.1S582 L583S582-S586 PolarHBondContact O-N 3.36Å; L583-S586 WeakPolarHBondContact CA-OG 3.39Å; L583-S586 PolarHBondContact O-N 3.04Å; L583-S586 PolarHBondContact O-OG 3.31Å
587F58Low63.6Low138 Ų138120 Ų12061%0.60560%0.603SS**THydrogen-bonded Turntrans-91.51.2174.9-72.9-72.7000114.4L583 Q585 W589L583-F587 HydrophobicContact CD2-CE2 4.08Å; L583-F587 HydrophobicContact CG-CD2 4.41Å; L583-F587 HydrophobicContact CG-CE2 4.16Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 3.29Å; L583-F587 VanDerWaalsContact O-N 3.1Å; Q585-F587 VanDerWaalsContact C-N 3.31Å; Q585-F587 PolarHBondContact O-N 3.46Å; F587-W589 HydrophobicContact CB-CG 4.4Å; F587-W589 PolarHBondContact O-N 2.93Å
588G50.3Low63.5Low60 Ų60122.8 Ų122.862%0.61961%0.61SS**THydrogen-bonded Turntrans62.722.7175.400000115.3Q585Q585-G588 PolarHBondContact O-N 2.94Å; Q585-G588 VanDerWaalsContact O-N 3.15Å
589W56.3Low63.6Low150 Ų150119.6 Ų119.657%0.56861%0.605SS**  trans-64.8122.5-175.8-72.18.7000110.8R584 F587R584-W589 PolarHBondContact O-N 3.26Å; F587-W589 HydrophobicContact CB-CG 4.4Å; F587-W589 PolarHBondContact O-N 2.93Å
590P51.3Low63.8Low84 Ų84116.7 Ų116.755%0.54560%0.596SS.*  trans-66152.3179.828.1-35000111.3S592P590-S592 PolarHBondContact O-N 2.72Å
591L51.3Low64.1Low184 Ų184116 Ų11696%0.96360%0.598SS**SBendtrans-71.7-15.7-177.9-77.478.5000113.4
592S54.6Low64.8Low84 Ų84116.4 Ų116.459%0.58760%0.601SS**SBendtrans-65.3127.816251.50000109.1P590 P594P590-S592 PolarHBondContact O-N 2.72Å; S592-P594 VanDerWaalsContact O-N 3.12Å
593K52.8Low65.3Low197 Ų197116 Ų11686%0.85760%0.602SS**  trans-42.1122174.8-64.7176.9-178.9177.10109.6D595K593-D595 PolarHBondContact O-N 2.81Å; K593-D595 VanDerWaalsContact O-N 3.11Å
594P54.3Low66.3Low72 Ų72117.1 Ų117.147%0.46860%0.6SS.*  trans-59.9121.9173.325-32.4000107S592 F596S592-P594 VanDerWaalsContact O-N 3.12Å; P594-F596 WeakPolarHBondContact O-CD1 3.45Å; P594-F596 PolarHBondContact O-N 2.99Å
595D60.7Low67.5Low84 Ų84114.4 Ų114.445%0.44959%0.594SS.*  trans-79.673.4177.6-166.35.4000109K593 R597 M598 E599K593-D595 PolarHBondContact O-N 2.81Å; K593-D595 VanDerWaalsContact O-N 3.11Å; D595-R597 PolarHBondContact O-N 3.27Å; D595-R597 VanDerWaalsContact OD1-CB 3.31Å; D595-R597 WeakPolarHBondContact OD1-CB 3.48Å; D595-R597 PolarHBondContact OD1-N 2.87Å; D595-M598 HydrophobicContact CB-CB 4.03Å; D595-M598 WeakPolarHBondContact O-CA 3.33Å; D595-M598 VanDerWaalsContact O-CB 3.32Å; D595-M598 WeakPolarHBondContact O-CB 3.44Å; D595-M598 PolarHBondContact O-N 3.35Å; D595-E599 PolarHBondContact O-N 2.8Å
596F68.2Low68.7Low137 Ų137108.4 Ų108.460%0.60158%0.576SS**Hα-helixtrans-53.1-20.7176.363.2-90.7000112.2P594 A600P594-F596 WeakPolarHBondContact O-CD1 3.45Å; P594-F596 PolarHBondContact O-N 2.99Å; F596-A600 WeakPolarHBondContact O-CB 3.24Å; F596-A600 PolarHBondContact O-N 3.25Å
597R72.8Confident69.9Low162 Ų162109.5 Ų109.561%0.61157%0.571SS**Hα-helixtrans-70.6-48.8171.6-54.2176166.5-164.9-7.4110.4D595 E599 A600 F601D595-R597 PolarHBondContact O-N 3.27Å; D595-R597 VanDerWaalsContact OD1-CB 3.31Å; D595-R597 WeakPolarHBondContact OD1-CB 3.48Å; D595-R597 PolarHBondContact OD1-N 2.87Å; R597-E599 VanDerWaalsContact C-N 3.32Å; R597-E599 PolarHBondContact O-N 3.11Å; R597-A600 PolarHBondContact O-N 3.15Å; R597-F601 WeakPolarHBondContact O-CB 3.19Å; R597-F601 WeakPolarHBondContact O-CD2 3.29Å; R597-F601 WeakPolarHBondContact O-CG 3.38Å; R597-F601 PolarHBondContact O-N 3.29Å
598M75.3Confident71.5Confident124 Ų124105.3 Ų105.361%0.61156%0.562SS**Hα-helixtrans-60.4-42.2175.6-165.164.464.200111.5D595 F601 A602D595-M598 HydrophobicContact CB-CB 4.03Å; D595-M598 WeakPolarHBondContact O-CA 3.33Å; D595-M598 VanDerWaalsContact O-CB 3.32Å; D595-M598 WeakPolarHBondContact O-CB 3.44Å; D595-M598 PolarHBondContact O-N 3.35Å; M598-F601 PolarHBondContact O-N 3.39Å; M598-A602 WeakPolarHBondContact O-CB 3.33Å; M598-A602 PolarHBondContact O-N 2.7Å
599E77.4Confident73.5Confident143 Ų143110 Ų11067%0.66856%0.561SS**Hα-helixtrans-66.9-44.3176.6-171.3167-155.400112.1D595 R597 F601 A602 A603D595-E599 PolarHBondContact O-N 2.8Å; R597-E599 VanDerWaalsContact C-N 3.32Å; R597-E599 PolarHBondContact O-N 3.11Å; E599-F601 VanDerWaalsContact C-N 3.34Å; E599-F601 PolarHBondContact O-N 3.21Å; E599-A602 PolarHBondContact O-N 3.47Å; E599-A603 WeakPolarHBondContact O-CB 3.48Å; E599-A603 PolarHBondContact O-N 2.74Å
600A79.5Confident75.2Confident46 Ų46105.6 Ų105.638%0.3856%0.557SS.*Hα-helixtrans-65.2-34.417400000113F596 R597 R604F596-A600 WeakPolarHBondContact O-CB 3.24Å; F596-A600 PolarHBondContact O-N 3.25Å; R597-A600 PolarHBondContact O-N 3.15Å; A600-R604 WeakPolarHBondContact O-CB 3.33Å; A600-R604 WeakPolarHBondContact O-CG 3.37Å; A600-R604 PolarHBondContact O-N 3.03Å
601F81Confident77.2Confident142 Ų142106.4 Ų106.462%0.62356%0.556SS**Hα-helixtrans-67.6-41.2171.8-82.6-58.8000111.7R597 M598 E599 Q605R597-F601 WeakPolarHBondContact O-CB 3.19Å; R597-F601 WeakPolarHBondContact O-CD2 3.29Å; R597-F601 WeakPolarHBondContact O-CG 3.38Å; R597-F601 PolarHBondContact O-N 3.29Å; M598-F601 PolarHBondContact O-N 3.39Å; E599-F601 VanDerWaalsContact C-N 3.34Å; E599-F601 PolarHBondContact O-N 3.21Å; F601-Q605 VanDerWaalsContact O-CB 3.3Å; F601-Q605 WeakPolarHBondContact O-CB 3.38Å; F601-Q605 PolarHBondContact O-N 3.35Å
602A83.7Confident79.1Confident60 Ų60103 Ų10350%0.49654%0.539SS..Hα-helixtrans-64.1-41.9174.500000111.7M598 E599 Q605 G606M598-A602 WeakPolarHBondContact O-CB 3.33Å; M598-A602 PolarHBondContact O-N 2.7Å; E599-A602 PolarHBondContact O-N 3.47Å; A602-Q605 PolarHBondContact O-N 2.92Å; A602-G606 PolarHBondContact O-N 2.93Å
603A84.2Confident81Confident62 Ų62105.8 Ų105.851%0.51254%0.54SS..Hα-helixtrans-61.5-51.6174.900000111.8E599 Q605 G606 E607E599-A603 WeakPolarHBondContact O-CB 3.48Å; E599-A603 PolarHBondContact O-N 2.74Å; A603-Q605 VanDerWaalsContact C-N 3.28Å; A603-Q605 PolarHBondContact O-N 2.97Å; A603-G606 WeakPolarHBondContact O-CA 3.42Å; A603-G606 PolarHBondContact O-N 3.23Å; A603-G606 VanDerWaalsContact O-N 3.08Å; A603-E607 WeakPolarHBondContact O-CB 3.45Å; A603-E607 PolarHBondContact O-N 3Å
604R88Confident83Confident113 Ų113100.3 Ų100.343%0.42652%0.52SS..Hα-helixtrans-61.4-33.5175.5-73.4177.5177.3-162.5-1.7112.7A600 A608A600-R604 WeakPolarHBondContact O-CB 3.33Å; A600-R604 WeakPolarHBondContact O-CG 3.37Å; A600-R604 PolarHBondContact O-N 3.03Å; R604-A608 WeakPolarHBondContact O-CB 3.29Å; R604-A608 PolarHBondContact O-N 3.48Å
605Q89.2Confident84.9Confident110 Ų110105.6 Ų105.651%0.51453%0.53SS..Hα-helixtrans-72.2-36173.8-162.8-17434.600112F601 A602 A603 R609F601-Q605 VanDerWaalsContact O-CB 3.3Å; F601-Q605 WeakPolarHBondContact O-CB 3.38Å; F601-Q605 PolarHBondContact O-N 3.35Å; A602-Q605 PolarHBondContact O-N 2.92Å; A603-Q605 VanDerWaalsContact C-N 3.28Å; A603-Q605 PolarHBondContact O-N 2.97Å; Q605-R609 VanDerWaalsContact CD-NH2 3.34Å; Q605-R609 VanDerWaalsContact O-CG 3.27Å; Q605-R609 WeakPolarHBondContact O-CG 3.41Å; Q605-R609 PolarHBondContact O-N 3.47Å; Q605-R609 VanDerWaalsContact O-N 3.09Å
606G89.4Confident86.5Confident37 Ų37107.5 Ų107.538%0.38154%0.537SS..Hα-helixtrans-63.5-47.8172.600000111.9A602 A603 R609 A610A602-G606 PolarHBondContact O-N 2.93Å; A603-G606 WeakPolarHBondContact O-CA 3.42Å; A603-G606 PolarHBondContact O-N 3.23Å; A603-G606 VanDerWaalsContact O-N 3.08Å; G606-R609 PolarHBondContact O-N 3.31Å; G606-A610 WeakPolarHBondContact O-CB 3.28Å; G606-A610 PolarHBondContact O-N 2.77Å
607E89.7Confident87.8Confident110 Ų110103.2 Ų103.251%0.51452%0.522SS..Hα-helixtrans-55.2-51.5172.9-176.3-168.4174.800111.5A603 R609 A610 L611A603-E607 WeakPolarHBondContact O-CB 3.45Å; A603-E607 PolarHBondContact O-N 3Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 3.39Å; E607-A610 WeakPolarHBondContact O-CB 3.31Å; E607-A610 PolarHBondContact O-N 3.1Å; E607-L611 HydrophobicContact CG-CD1 4.14Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 2.82Å
608A91.2Very high88.9Confident50 Ų50104.3 Ų104.341%0.41353%0.526SS..Hα-helixtrans-59.5-35.9177.700000113R604 L612R604-A608 WeakPolarHBondContact O-CB 3.29Å; R604-A608 PolarHBondContact O-N 3.48Å; A608-L612 VanDerWaalsContact O-CG 3.31Å; A608-L612 WeakPolarHBondContact O-CG 3.41Å; A608-L612 PolarHBondContact O-N 3.07Å; A608-L612 VanDerWaalsContact O-N 3.11Å
609R92Very high89.8Confident158 Ų158103 Ų10360%0.59652%0.519SS*.Hα-helixtrans-70.9-38.6173.4-70.2173.1-168.4-158.49.3112.1Q605 G606 E607 L612 K613Q605-R609 VanDerWaalsContact CD-NH2 3.34Å; Q605-R609 VanDerWaalsContact O-CG 3.27Å; Q605-R609 WeakPolarHBondContact O-CG 3.41Å; Q605-R609 PolarHBondContact O-N 3.47Å; Q605-R609 VanDerWaalsContact O-N 3.09Å; G606-R609 PolarHBondContact O-N 3.31Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 3.39Å; R609-L612 PolarHBondContact O-N 2.92Å; R609-K613 WeakPolarHBondContact O-CB 3.25Å; R609-K613 PolarHBondContact O-N 3.33Å
610A91.8Very high90.6Very high58 Ų5899.2 Ų99.248%0.47950%0.504SS..Hα-helixtrans-64.9-44.3176.100000111.5G606 E607 L612 K613 L614G606-A610 WeakPolarHBondContact O-CB 3.28Å; G606-A610 PolarHBondContact O-N 2.77Å; E607-A610 WeakPolarHBondContact O-CB 3.31Å; E607-A610 PolarHBondContact O-N 3.1Å; A610-L612 PolarHBondContact O-N 2.87Å; A610-K613 PolarHBondContact O-N 2.86Å; A610-L614 WeakPolarHBondContact O-CB 3.29Å; A610-L614 PolarHBondContact O-N 3.29Å
611L93.7Very high91.3Very high101 Ų101101.3 Ų101.353%0.52951%0.512SS..Hα-helixtrans-63.6-38.9175.4-69.7172.6000112.5E607 R615E607-L611 HydrophobicContact CG-CD1 4.14Å; E607-L611 WeakPolarHBondContact O-CG 3.4Å; E607-L611 PolarHBondContact O-N 2.82Å; L611-R615 WeakPolarHBondContact O-CB 3.5Å; L611-R615 PolarHBondContact O-N 2.88Å
612L92.4Very high92Very high114 Ų11498.6 Ų98.660%0.59750%0.503SS*.Hα-helixtrans-63.6-44.6172.3-76.5170.8000111.7A608 R609 A610 R615 E616A608-L612 VanDerWaalsContact O-CG 3.31Å; A608-L612 WeakPolarHBondContact O-CG 3.41Å; A608-L612 PolarHBondContact O-N 3.07Å; A608-L612 VanDerWaalsContact O-N 3.11Å; R609-L612 PolarHBondContact O-N 2.92Å; A610-L612 PolarHBondContact O-N 2.87Å; L612-R615 WeakPolarHBondContact O-CB 3.42Å; L612-R615 PolarHBondContact O-N 3.37Å; L612-E616 PolarHBondContact O-N 3.05Å
613K93.8Very high92.6Very high142 Ų142101.9 Ų101.962%0.61750%0.503SS*.Hα-helixtrans-65.6-39177.2-167.4-179.5-179.3-171.10112.2R609 A610 R615 E616 T617R609-K613 WeakPolarHBondContact O-CB 3.25Å; R609-K613 PolarHBondContact O-N 3.33Å; A610-K613 PolarHBondContact O-N 2.86Å; K613-R615 VanDerWaalsContact C-N 3.33Å; K613-E616 WeakPolarHBondContact O-CB 3.28Å; K613-E616 PolarHBondContact O-N 3.22Å; K613-T617 WeakPolarHBondContact O-CG2 3.41Å; K613-T617 PolarHBondContact O-N 2.82Å; K613-T617 PolarHBondContact O-OG1 3.24Å
614L94.1Very high93.1Very high82 Ų82102.8 Ų102.843%0.42950%0.502SS..Hα-helixtrans-65.9-34.9175-177.163.2000112A610 T617 R618A610-L614 WeakPolarHBondContact O-CB 3.29Å; A610-L614 PolarHBondContact O-N 3.29Å; L614-T617 PolarHBondContact O-OG1 3.42Å; L614-R618 VanDerWaalsContact O-CB 3.28Å; L614-R618 WeakPolarHBondContact O-CB 3.07Å; L614-R618 PolarHBondContact O-N 3.43Å
615R95.2Very high93.5Very high182 Ų182102 Ų10269%0.68750%0.503SS*.Hα-helixtrans-67.8-40.7171.6-175-178.3177.9-158.4-1.3111.6L611 L612 K613 M619L611-R615 WeakPolarHBondContact O-CB 3.5Å; L611-R615 PolarHBondContact O-N 2.88Å; L612-R615 WeakPolarHBondContact O-CB 3.42Å; L612-R615 PolarHBondContact O-N 3.37Å; K613-R615 VanDerWaalsContact C-N 3.33Å; R615-M619 WeakPolarHBondContact O-CG 3.39Å; R615-M619 PolarHBondContact O-N 2.87Å; R615-M619 VanDerWaalsContact O-N 3.08Å
616E94.1Very high93.8Very high125 Ų12599.4 Ų99.458%0.58450%0.497SS*.Hα-helixtrans-62.6-51.2176-172.8168.7-142.400111.1L612 K613 R618 M619 D620L612-E616 PolarHBondContact O-N 3.05Å; K613-E616 WeakPolarHBondContact O-CB 3.28Å; K613-E616 PolarHBondContact O-N 3.22Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.25Å; E616-M619 CarbonylContact O-C 3.6Å; E616-M619 WeakPolarHBondContact O-CA 3.37Å; E616-M619 WeakPolarHBondContact O-CB 3.47Å; E616-M619 PolarHBondContact O-N 3.45Å; E616-D620 PolarHBondContact O-N 3.49Å
617T95.9Very high94Very high47 Ų47106.1 Ų106.129%0.28851%0.511SS..Hα-helixtrans-63.2-36.9177.157.30000112.6K613 L614 M619 D620 V621K613-T617 WeakPolarHBondContact O-CG2 3.41Å; K613-T617 PolarHBondContact O-N 2.82Å; K613-T617 PolarHBondContact O-OG1 3.24Å; L614-T617 PolarHBondContact O-OG1 3.42Å; T617-M619 VanDerWaalsContact C-N 3.29Å; T617-M619 PolarHBondContact O-N 3.02Å; T617-D620 WeakPolarHBondContact O-CB 3.46Å; T617-D620 PolarHBondContact O-N 2.98Å; T617-D620 VanDerWaalsContact O-N 3.17Å; T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.89Å
618R95.8Very high94.3Very high184 Ų184104.1 Ų104.169%0.69451%0.508SS*.Hα-helixtrans-61.6-36.6172.4-173.1174-179.8177.61112.2L614 E616 L622L614-R618 VanDerWaalsContact O-CB 3.28Å; L614-R618 WeakPolarHBondContact O-CB 3.07Å; L614-R618 PolarHBondContact O-N 3.43Å; E616-R618 VanDerWaalsContact C-N 3.35Å; E616-R618 PolarHBondContact O-N 3.25Å; R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 3.45Å; R618-L622 VanDerWaalsContact O-N 3.17Å
619M93Very high94.4Very high97 Ų97107 Ų10748%0.47851%0.513SS..Hα-helixtrans-74-29.2174.2-69.3-59.6-55.300113R615 E616 T617 L622 R623R615-M619 WeakPolarHBondContact O-CG 3.39Å; R615-M619 PolarHBondContact O-N 2.87Å; R615-M619 VanDerWaalsContact O-N 3.08Å; E616-M619 CarbonylContact O-C 3.6Å; E616-M619 WeakPolarHBondContact O-CA 3.37Å; E616-M619 WeakPolarHBondContact O-CB 3.47Å; E616-M619 PolarHBondContact O-N 3.45Å; T617-M619 VanDerWaalsContact C-N 3.29Å; T617-M619 PolarHBondContact O-N 3.02Å; M619-L622 HydrophobicContact SD-CD1 4.29Å; M619-R623 PolarHBondContact O-N 3Å; M619-R623 PolarHBondContact O-NE 3.02Å; M619-R623 PolarHBondContact O-NH2 2.78Å
620D94.4Very high94.6Very high64 Ų64103 Ų10334%0.34251%0.506SS..Hα-helixtrans-68-47.4169.7-72.3-41000111.3E616 T617 L622 R623 V624E616-D620 PolarHBondContact O-N 3.49Å; T617-D620 WeakPolarHBondContact O-CB 3.46Å; T617-D620 PolarHBondContact O-N 2.98Å; T617-D620 VanDerWaalsContact O-N 3.17Å; D620-L622 VanDerWaalsContact C-N 3.33Å; D620-L622 PolarHBondContact O-N 2.86Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 WeakPolarHBondContact O-CA 3.47Å; D620-R623 WeakPolarHBondContact O-CB 3.46Å; D620-R623 PolarHBondContact O-N 3.26Å; D620-R623 IonicContact OD1-CZ 3.51Å; D620-R623 IonicContact OD1-NH1 2.74Å; D620-R623 PolarHBondContact OD1-NH1 2.84Å; D620-R623 IonicContact OD1-NH2 2.7Å; D620-R623 PolarHBondContact OD1-NH2 2.73Å; D620-V624 WeakPolarHBondContact O-CG2 3.32Å; D620-V624 PolarHBondContact O-N 2.81Å
621V95.9Very high94.7Very high90 Ų90104.4 Ų104.455%0.54551%0.506SS..Hα-helixtrans-56.6-45.5177.6168.60000111.1T617 R623 V624 Q625T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.89Å; V621-R623 VanDerWaalsContact C-N 3.31Å; V621-R623 PolarHBondContact O-N 3.22Å; V621-V624 PolarHBondContact O-N 3.04Å; V621-Q625 WeakPolarHBondContact O-CB 3.34Å; V621-Q625 PolarHBondContact O-N 2.89Å
622L94.8Very high94.8Very high84 Ų84104.3 Ų104.344%0.4450%0.502SS..Hα-helixtrans-62.8-34.4175.1-70.2170000113R618 M619 D620 S626R618-L622 WeakPolarHBondContact O-CG 3.43Å; R618-L622 PolarHBondContact O-N 3.45Å; R618-L622 VanDerWaalsContact O-N 3.17Å; M619-L622 HydrophobicContact SD-CD1 4.29Å; D620-L622 VanDerWaalsContact C-N 3.33Å; D620-L622 PolarHBondContact O-N 2.86Å; L622-S626 PolarHBondContact O-N 2.95Å; L622-S626 VanDerWaalsContact O-N 3.11Å; L622-S626 PolarHBondContact O-OG 3.27Å
623R95.3Very high94.9Very high129 Ų129106.5 Ų106.549%0.48750%0.503SS..Hα-helixtrans-72.2-34.3173.5-92.1-177.8-77.21061.5113M619 D620 V621 S626 R627M619-R623 PolarHBondContact O-N 3Å; M619-R623 PolarHBondContact O-NE 3.02Å; M619-R623 PolarHBondContact O-NH2 2.78Å; D620-R623 CarbonylContact O-C 3.55Å; D620-R623 WeakPolarHBondContact O-CA 3.47Å; D620-R623 WeakPolarHBondContact O-CB 3.46Å; D620-R623 PolarHBondContact O-N 3.26Å; D620-R623 IonicContact OD1-CZ 3.51Å; D620-R623 IonicContact OD1-NH1 2.74Å; D620-R623 PolarHBondContact OD1-NH1 2.84Å; D620-R623 IonicContact OD1-NH2 2.7Å; D620-R623 PolarHBondContact OD1-NH2 2.73Å; V621-R623 VanDerWaalsContact C-N 3.31Å; V621-R623 PolarHBondContact O-N 3.22Å; R623-S626 PolarHBondContact O-OG 3.29Å; R623-R627 WeakPolarHBondContact O-CG 3.25Å; R623-R627 PolarHBondContact O-N 3.11Å
624V96Very high95Very high81 Ų81104.9 Ų104.949%0.49150%0.497SS..Hα-helixtrans-69.8-46.7173.1173.50000109.8D620 V621 S626 R627 C628D620-V624 WeakPolarHBondContact O-CG2 3.32Å; D620-V624 PolarHBondContact O-N 2.81Å; V621-V624 PolarHBondContact O-N 3.04Å; V624-S626 PolarHBondContact O-N 3.28Å; V624-R627 CarbonylContact O-C 3.53Å; V624-R627 WeakPolarHBondContact O-CA 3.23Å; V624-R627 WeakPolarHBondContact O-CB 3.48Å; V624-R627 PolarHBondContact O-N 2.62Å; V624-C628 PolarHBondContact O-N 2.99Å; V624-C628 PolarHBondContact O-SG 3.33Å
625Q96Very high95.1Very high97 Ų97104.5 Ų104.545%0.45350%0.495SS..Hα-helixtrans-56.3-44.9177.9-171.4179.913.700112.3V621 R627 C628 Q629V621-Q625 WeakPolarHBondContact O-CB 3.34Å; V621-Q625 PolarHBondContact O-N 2.89Å; Q625-R627 VanDerWaalsContact C-N 3.34Å; Q625-R627 PolarHBondContact O-N 2.96Å; Q625-C628 PolarHBondContact O-N 2.97Å; Q625-Q629 WeakPolarHBondContact O-CB 3.27Å; Q625-Q629 WeakPolarHBondContact O-CG 3.46Å; Q625-Q629 PolarHBondContact O-N 3.29Å
626S94.5Very high95Very high56 Ų5699.4 Ų99.439%0.39248%0.481SS..Hα-helixtrans-69-29.4177.261.80000113.6L622 R623 V624 T630L622-S626 PolarHBondContact O-N 2.95Å; L622-S626 VanDerWaalsContact O-N 3.11Å; L622-S626 PolarHBondContact O-OG 3.27Å; R623-S626 PolarHBondContact O-OG 3.29Å; V624-S626 PolarHBondContact O-N 3.28Å; S626-T630 WeakPolarHBondContact O-CB 3.31Å; S626-T630 PolarHBondContact O-N 3.46Å; S626-T630 PolarHBondContact O-OG1 2.95Å
627R94.7Very high95.1Very high177 Ų177101.7 Ų101.767%0.66848%0.484SS*.Hα-helixtrans-68.4-48168.8-72.9175.567.4-161.6-2.7111.2R623 V624 Q625 Q629 T630 L631R623-R627 WeakPolarHBondContact O-CG 3.25Å; R623-R627 PolarHBondContact O-N 3.11Å; V624-R627 CarbonylContact O-C 3.53Å; V624-R627 WeakPolarHBondContact O-CA 3.23Å; V624-R627 WeakPolarHBondContact O-CB 3.48Å; V624-R627 PolarHBondContact O-N 2.62Å; Q625-R627 VanDerWaalsContact C-N 3.34Å; Q625-R627 PolarHBondContact O-N 2.96Å; R627-Q629 PolarHBondContact O-N 3.06Å; R627-T630 CarbonylContact O-C 3.59Å; R627-T630 WeakPolarHBondContact O-CA 3.35Å; R627-T630 PolarHBondContact O-N 3.22Å; R627-L631 PolarHBondContact O-N 3.1Å
628C94.8Very high95.1Very high68 Ų68103.8 Ų103.846%0.45949%0.493SS..Hα-helixtrans-58.9-45176.9-650000112.2V624 Q625 T630 L631 Q632V624-C628 PolarHBondContact O-N 2.99Å; V624-C628 PolarHBondContact O-SG 3.33Å; Q625-C628 PolarHBondContact O-N 2.97Å; C628-T630 PolarHBondContact O-N 3.47Å; C628-L631 PolarHBondContact O-N 3.48Å; C628-Q632 WeakPolarHBondContact O-CB 3.36Å; C628-Q632 PolarHBondContact O-N 3.11Å
629Q95.1Very high95.1Very high110 Ų110100.6 Ų100.651%0.51449%0.486SS..Hα-helixtrans-62.3-23.3173.6-74.5176.5-15.400113.7Q625 R627 R633Q625-Q629 WeakPolarHBondContact O-CB 3.27Å; Q625-Q629 WeakPolarHBondContact O-CG 3.46Å; Q625-Q629 PolarHBondContact O-N 3.29Å; R627-Q629 PolarHBondContact O-N 3.06Å; Q629-R633 WeakPolarHBondContact O-CG 3.37Å; Q629-R633 PolarHBondContact O-NE 2.77Å
630T94.4Very high95.1Very high75 Ų7598.9 Ų98.946%0.4649%0.488SS..Hα-helixtrans-88.5-34.8177.6-57.30000111.6S626 R627 C628 R633 H634S626-T630 WeakPolarHBondContact O-CB 3.31Å; S626-T630 PolarHBondContact O-N 3.46Å; S626-T630 PolarHBondContact O-OG1 2.95Å; R627-T630 CarbonylContact O-C 3.59Å; R627-T630 WeakPolarHBondContact O-CA 3.35Å; R627-T630 PolarHBondContact O-N 3.22Å; C628-T630 PolarHBondContact O-N 3.47Å; T630-R633 PolarHBondContact OG1-NH2 3.35Å; T630-H634 PolarHBondContact O-N 3.11Å
631L95.3Very high95.1Very high88 Ų8899.3 Ų99.346%0.46149%0.489SS..Hα-helixtrans-66.4-42.3169.6-69.9171.4000111.6R627 C628 R633 H634 I635R627-L631 PolarHBondContact O-N 3.1Å; C628-L631 PolarHBondContact O-N 3.48Å; L631-R633 PolarHBondContact O-N 3.06Å; L631-H634 CarbonylContact O-C 3.59Å; L631-H634 WeakPolarHBondContact O-CA 3.42Å; L631-H634 WeakPolarHBondContact O-CB 3.49Å; L631-H634 PolarHBondContact O-N 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.84Å
632Q95.7Very high95Very high99 Ų9999.7 Ų99.746%0.46349%0.488SS..Hα-helixtrans-56.9-52.9175.8-170.762.756.500110.9C628 H634 I635 D636C628-Q632 WeakPolarHBondContact O-CB 3.36Å; C628-Q632 PolarHBondContact O-N 3.11Å; Q632-H634 PolarHBondContact O-N 3.31Å; Q632-I635 CarbonylContact O-C 3.55Å; Q632-I635 WeakPolarHBondContact O-CA 3.41Å; Q632-I635 WeakPolarHBondContact O-CB 3.42Å; Q632-I635 PolarHBondContact O-N 3.29Å; Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact O-N 3.04Å; Q632-D636 VanDerWaalsContact O-OD1 3.13Å
633R94.6Very high94.9Very high159 Ų15999.6 Ų99.660%0.649%0.494SS*.Hα-helixtrans-59.4-20.5175.6-69.9179-65.8163.83.3114.2Q629 T630 L631 D636 R637Q629-R633 WeakPolarHBondContact O-CG 3.37Å; Q629-R633 PolarHBondContact O-NE 2.77Å; T630-R633 PolarHBondContact OG1-NH2 3.35Å; L631-R633 PolarHBondContact O-N 3.06Å; R633-D636 WeakPolarHBondContact CA-OD2 3.23Å; R633-R637 WeakPolarHBondContact O-CB 3.42Å
634H96.1Very high94.8Very high108 Ų108100 Ų10050%0.550%0.5SS..Hα-helixtrans-82.7-40.2172-167.2-90.9000111.8T630 L631 Q632 R637 L638T630-H634 PolarHBondContact O-N 3.11Å; L631-H634 CarbonylContact O-C 3.59Å; L631-H634 WeakPolarHBondContact O-CA 3.42Å; L631-H634 WeakPolarHBondContact O-CB 3.49Å; L631-H634 PolarHBondContact O-N 3.31Å; Q632-H634 PolarHBondContact O-N 3.31Å; H634-R637 PolarHBondContact O-N 3.33Å; H634-L638 WeakPolarHBondContact O-CG 3.42Å; H634-L638 PolarHBondContact O-N 3.19Å
635I94.8Very high94.7Very high74 Ų74103.1 Ų103.138%0.37950%0.503SS..Hα-helixtrans-61.6-52.8172.7-66.7164.2000109.9L631 Q632 R637 L638 E639L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 2.84Å; Q632-I635 CarbonylContact O-C 3.55Å; Q632-I635 WeakPolarHBondContact O-CA 3.41Å; Q632-I635 WeakPolarHBondContact O-CB 3.42Å; Q632-I635 PolarHBondContact O-N 3.29Å; I635-R637 PolarHBondContact O-N 2.95Å; I635-R637 VanDerWaalsContact O-N 3.1Å; I635-L638 CarbonylContact O-C 3.56Å; I635-L638 WeakPolarHBondContact O-CA 3.28Å; I635-L638 PolarHBondContact O-N 3Å; I635-E639 HydrophobicContact CG2-CG 4.25Å; I635-E639 WeakPolarHBondContact CG2-OE1 3.26Å; I635-E639 WeakPolarHBondContact O-CG 3.46Å; I635-E639 PolarHBondContact O-N 3.47Å
636D94.6Very high94.5Very high75 Ų75102.8 Ų102.840%0.40150%0.502SS..Hα-helixtrans-52.2-39.1177.7-48.5-27.5000111.4Q632 R633 A640Q632-D636 PolarHBondContact NE2-OD1 3.07Å; Q632-D636 PolarHBondContact O-N 3.04Å; Q632-D636 VanDerWaalsContact O-OD1 3.13Å; R633-D636 WeakPolarHBondContact CA-OD2 3.23Å; D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.14Å
637R95.9Very high94.4Very high174 Ų174103.1 Ų103.166%0.65751%0.505SS*.Hα-helixtrans-72.4-40.1177.2-176.8178.3-179.3176.71.2112.6R633 H634 I635 I641R633-R637 WeakPolarHBondContact O-CB 3.42Å; H634-R637 PolarHBondContact O-N 3.33Å; I635-R637 PolarHBondContact O-N 2.95Å; I635-R637 VanDerWaalsContact O-N 3.1Å; R637-I641 HydrophobicContact CG-CD1 4.06Å; R637-I641 WeakPolarHBondContact O-CD1 3.45Å; R637-I641 VanDerWaalsContact O-CG1 3.25Å; R637-I641 WeakPolarHBondContact O-CG1 3.37Å; R637-I641 PolarHBondContact O-N 2.99Å
638L95.6Very high94.3Very high91 Ų91100 Ų10048%0.47650%0.498SS..Hα-helixtrans-67-39.7174.9-74.1177.4000111.3H634 I635 I641 N642H634-L638 WeakPolarHBondContact O-CG 3.42Å; H634-L638 PolarHBondContact O-N 3.19Å; I635-L638 CarbonylContact O-C 3.56Å; I635-L638 WeakPolarHBondContact O-CA 3.28Å; I635-L638 PolarHBondContact O-N 3Å; L638-I641 PolarHBondContact O-N 3.32Å; L638-N642 VanDerWaalsContact O-CB 3.27Å; L638-N642 WeakPolarHBondContact O-CB 3.49Å; L638-N642 PolarHBondContact O-N 3.41Å
639E95.1Very high94.2Very high117 Ų117101.8 Ų101.855%0.54750%0.502SS..Hα-helixtrans-63.1-42.4175.1-71.3-178.3179.200111.6I635 N642 S643I635-E639 HydrophobicContact CG2-CG 4.25Å; I635-E639 WeakPolarHBondContact CG2-OE1 3.26Å; I635-E639 WeakPolarHBondContact O-CG 3.46Å; I635-E639 PolarHBondContact O-N 3.47Å; E639-N642 PolarHBondContact O-N 2.84Å; E639-S643 WeakPolarHBondContact O-CB 3.32Å; E639-S643 PolarHBondContact O-N 3.42Å; E639-S643 PolarHBondContact O-OG 2.74Å
640A93.5Very high94Very high61 Ų61102.7 Ų102.750%0.50451%0.506SS..Hα-helixtrans-63.3-42173.800000112.5D636 F644D636-A640 WeakPolarHBondContact O-CB 3.48Å; D636-A640 PolarHBondContact O-N 3.14Å; A640-F644 PolarHBondContact O-N 2.95Å
641I94.3Very high94Very high72 Ų72104.3 Ų104.337%0.36951%0.512SS..Hα-helixtrans-66-39175.1-70.3165.7000111.1R637 L638 F644 R645R637-I641 HydrophobicContact CG-CD1 4.06Å; R637-I641 WeakPolarHBondContact O-CD1 3.45Å; R637-I641 VanDerWaalsContact O-CG1 3.25Å; R637-I641 WeakPolarHBondContact O-CG1 3.37Å; R637-I641 PolarHBondContact O-N 2.99Å; L638-I641 PolarHBondContact O-N 3.32Å; I641-F644 PolarHBondContact O-N 3.49Å; I641-R645 WeakPolarHBondContact O-CG 3.37Å; I641-R645 PolarHBondContact O-N 3.21Å
642N93.8Very high93.9Very high99 Ų99102.7 Ų102.753%0.52951%0.512SS..Hα-helixtrans-68.8-43.5179-164.624.3000111.2L638 E639 F644 R645 M646L638-N642 VanDerWaalsContact O-CB 3.27Å; L638-N642 WeakPolarHBondContact O-CB 3.49Å; L638-N642 PolarHBondContact O-N 3.41Å; E639-N642 PolarHBondContact O-N 2.84Å; N642-F644 VanDerWaalsContact C-N 3.32Å; N642-F644 PolarHBondContact O-N 3.31Å; N642-R645 PolarHBondContact O-N 3.2Å; N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.47Å
643S93.2Very high93.8Very high82 Ų82101.2 Ų101.257%0.57351%0.509SS*.Hα-helixtrans-58.9-41.9173.3-57.40000112.1E639 M646 S647E639-S643 WeakPolarHBondContact O-CB 3.32Å; E639-S643 PolarHBondContact O-N 3.42Å; E639-S643 PolarHBondContact O-OG 2.74Å; S643-M646 PolarHBondContact O-N 2.97Å; S643-S647 PolarHBondContact O-N 2.96Å; S643-S647 VanDerWaalsContact O-N 3.12Å
644F92.8Very high93.7Very high138 Ų13896.1 Ų96.161%0.60550%0.501SS*.Hα-helixtrans-62.1-48.6173.6179.1-88.4000111.9A640 I641 N642 M646 S647 E648A640-F644 PolarHBondContact O-N 2.95Å; I641-F644 PolarHBondContact O-N 3.49Å; N642-F644 VanDerWaalsContact C-N 3.32Å; N642-F644 PolarHBondContact O-N 3.31Å; F644-M646 VanDerWaalsContact C-N 3.3Å; F644-M646 PolarHBondContact O-N 3.27Å; F644-S647 WeakPolarHBondContact O-CB 3.47Å; F644-S647 PolarHBondContact O-N 3.05Å; F644-E648 PolarHBondContact O-N 3.42Å
645R94.9Very high93.7Very high145 Ų14594.2 Ų94.255%0.54750%0.495SS..Hα-helixtrans-63.1-33.6177.8-77177.7169.4-167.4-5.4113I641 N642 E648 L649I641-R645 WeakPolarHBondContact O-CG 3.37Å; I641-R645 PolarHBondContact O-N 3.21Å; N642-R645 PolarHBondContact O-N 3.2Å; R645-E648 PolarHBondContact O-N 3.19Å; R645-L649 WeakPolarHBondContact O-CB 3.22Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.41Å; R645-L649 PolarHBondContact O-N 3.18Å
646M90.2Very high93.5Very high90 Ų9093.8 Ų93.844%0.44349%0.493SS..Hα-helixtrans-66.2-42.9173.7-74.7-57.6-54.200111.5N642 S643 F644 L649 E650N642-M646 WeakPolarHBondContact O-CG 3.48Å; N642-M646 PolarHBondContact O-N 3.47Å; S643-M646 PolarHBondContact O-N 2.97Å; F644-M646 VanDerWaalsContact C-N 3.3Å; F644-M646 PolarHBondContact O-N 3.27Å; M646-L649 PolarHBondContact O-N 3.01Å; M646-L649 HydrophobicContact SD-CD1 4.28Å; M646-E650 WeakPolarHBondContact O-CG 3.38Å; M646-E650 PolarHBondContact O-N 3.38Å
647S93.2Very high93.4Very high63 Ų6398.4 Ų98.444%0.44151%0.505SS..Hα-helixtrans-61.5-43172.5-168.10000111.9S643 F644 L649 E650 D651S643-S647 PolarHBondContact O-N 2.96Å; S643-S647 VanDerWaalsContact O-N 3.12Å; F644-S647 WeakPolarHBondContact O-CB 3.47Å; F644-S647 PolarHBondContact O-N 3.05Å; S647-L649 VanDerWaalsContact C-N 3.32Å; S647-L649 PolarHBondContact O-N 3.27Å; S647-E650 PolarHBondContact O-N 3.17Å; S647-D651 PolarHBondContact O-N 3.2Å
648E91.8Very high93.3Very high113 Ų11395.5 Ų95.553%0.52850%0.499SS..Hα-helixtrans-62.7-37.2176.9-174.6175.6-155.500112.1F644 R645 A652F644-E648 PolarHBondContact O-N 3.42Å; R645-E648 PolarHBondContact O-N 3.19Å; E648-A652 VanDerWaalsContact O-CB 3.28Å; E648-A652 WeakPolarHBondContact O-CB 3.36Å; E648-A652 PolarHBondContact O-N 2.83Å
649L92.4Very high93.2Very high104 Ų10495 Ų9555%0.54550%0.496SS..Hα-helixtrans-70.4-38.2173.4-74.7168.3000112.7R645 M646 S647 A652 V653R645-L649 WeakPolarHBondContact O-CB 3.22Å; R645-L649 VanDerWaalsContact O-CG 3.25Å; R645-L649 WeakPolarHBondContact O-CG 3.41Å; R645-L649 PolarHBondContact O-N 3.18Å; M646-L649 PolarHBondContact O-N 3.01Å; M646-L649 HydrophobicContact SD-CD1 4.28Å; S647-L649 VanDerWaalsContact C-N 3.32Å; S647-L649 PolarHBondContact O-N 3.27Å; L649-A652 PolarHBondContact O-N 3Å; L649-V653 WeakPolarHBondContact O-CB 3.13Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.2Å
650E92.8Very high93.2Very high130 Ų13095.9 Ų95.961%0.60749%0.494SS*.Hα-helixtrans-65-44.3175.3-75.6178.4-173.800111.5M646 S647 V653 A654M646-E650 WeakPolarHBondContact O-CG 3.38Å; M646-E650 PolarHBondContact O-N 3.38Å; S647-E650 PolarHBondContact O-N 3.17Å; E650-V653 PolarHBondContact O-N 3.38Å; E650-A654 WeakPolarHBondContact O-CB 3.32Å; E650-A654 PolarHBondContact O-N 2.81Å
651D94.2Very high93.2Very high108 Ų10896.9 Ų96.958%0.57849%0.489SS*.Hα-helixtrans-62.4-41.9173.2-77.7-30.9000111.9S647 V653 A654 N655S647-D651 PolarHBondContact O-N 3.2Å; D651-V653 PolarHBondContact O-N 3.03Å; D651-A654 PolarHBondContact O-N 3.22Å; D651-N655 WeakPolarHBondContact O-CB 3.27Å; D651-N655 PolarHBondContact O-N 2.88Å
652A93.1Very high93.1Very high55 Ų5598.5 Ų98.546%0.45550%0.495SS..Hα-helixtrans-64.5-38.617600000112.6E648 L649 N655 D656E648-A652 VanDerWaalsContact O-CB 3.28Å; E648-A652 WeakPolarHBondContact O-CB 3.36Å; E648-A652 PolarHBondContact O-N 2.83Å; L649-A652 PolarHBondContact O-N 3Å; A652-N655 PolarHBondContact O-N 3.41Å; A652-D656 WeakPolarHBondContact O-CB 3.48Å; A652-D656 PolarHBondContact O-N 3.38Å
653V93.7Very high93Very high68 Ų6898 Ų9841%0.41249%0.491SS..Hα-helixtrans-71-32.2174.8167.70000111.8L649 E650 D651 R657L649-V653 WeakPolarHBondContact O-CB 3.13Å; L649-V653 VanDerWaalsContact O-CG2 3.28Å; L649-V653 WeakPolarHBondContact O-CG2 3.44Å; L649-V653 PolarHBondContact O-N 3.2Å; E650-V653 PolarHBondContact O-N 3.38Å; D651-V653 PolarHBondContact O-N 3.03Å; V653-R657 WeakPolarHBondContact O-CD 3.34Å; V653-R657 VanDerWaalsContact O-CG 3.24Å; V653-R657 WeakPolarHBondContact O-CG 3.44Å; V653-R657 PolarHBondContact O-N 3.26Å
654A92.8Very high93Very high52 Ų5299.6 Ų99.643%0.4349%0.485SS..Hα-helixtrans-65-46.3171.500000111.4E650 D651 R657 E658E650-A654 WeakPolarHBondContact O-CB 3.32Å; E650-A654 PolarHBondContact O-N 2.81Å; D651-A654 PolarHBondContact O-N 3.22Å; A654-R657 WeakPolarHBondContact O-CB 3.39Å; A654-R657 PolarHBondContact O-N 3.49Å; A654-E658 PolarHBondContact O-N 3.33Å
655N94.1Very high93Very high68 Ų6897.4 Ų97.436%0.36448%0.479SS..Hα-helixtrans-62.4-43.9176.8-172.28.5000112.2D651 A652 R657 E658 L659D651-N655 WeakPolarHBondContact O-CB 3.27Å; D651-N655 PolarHBondContact O-N 2.88Å; A652-N655 PolarHBondContact O-N 3.41Å; N655-R657 VanDerWaalsContact C-N 3.28Å; N655-R657 PolarHBondContact O-N 2.9Å; N655-E658 PolarHBondContact O-N 2.89Å; N655-E658 VanDerWaalsContact O-N 3.14Å; N655-L659 WeakPolarHBondContact O-CB 3.35Å; N655-L659 WeakPolarHBondContact O-CG 3.45Å; N655-L659 PolarHBondContact O-N 3.21Å; N655-L659 WeakPolarHBondContact OD1-CD1 3.36Å
656D92.3Very high93.1Very high64 Ų6494.9 Ų94.934%0.34248%0.476SS..Hα-helixtrans-56.9-39.7173.2172.785.1000112.4A652 R660A652-D656 WeakPolarHBondContact O-CB 3.48Å; A652-D656 PolarHBondContact O-N 3.38Å; D656-R660 WeakPolarHBondContact O-CB 3.29Å; D656-R660 WeakPolarHBondContact O-CG 3.22Å; D656-R660 PolarHBondContact O-N 2.98Å; D656-R660 IonicContact OD1-CZ 3.71Å; D656-R660 VanDerWaalsContact OD1-CZ 3.27Å; D656-R660 IonicContact OD1-NE 2.7Å; D656-R660 PolarHBondContact OD1-NE 2.89Å; D656-R660 IonicContact OD1-NH2 2.8Å; D656-R660 PolarHBondContact OD1-NH2 2.78Å; D656-R660 IonicContact OD2-CZ 3.37Å; D656-R660 IonicContact OD2-NE 3.6Å; D656-R660 PolarHBondContact OD2-NE 3.02Å; D656-R660 IonicContact OD2-NH2 3.72Å
657R92.1Very high93.2Very high173 Ų17396.2 Ų96.265%0.65348%0.481SS*.Hα-helixtrans-67.7-39.2175.7-69.8166.4-176.8-174.63.8112.6V653 A654 N655 Q661V653-R657 WeakPolarHBondContact O-CD 3.34Å; V653-R657 VanDerWaalsContact O-CG 3.24Å; V653-R657 WeakPolarHBondContact O-CG 3.44Å; V653-R657 PolarHBondContact O-N 3.26Å; A654-R657 WeakPolarHBondContact O-CB 3.39Å; A654-R657 PolarHBondContact O-N 3.49Å; N655-R657 VanDerWaalsContact C-N 3.28Å; N655-R657 PolarHBondContact O-N 2.9Å; R657-Q661 PolarHBondContact O-N 3.14Å; R657-Q661 VanDerWaalsContact O-N 3.12Å
658E92.9Very high93.2Very high113 Ų11397.9 Ų97.953%0.52849%0.489SS..Hα-helixtrans-65.4-51.3176.3-175.2161.5-15200111A654 N655 R660 Q661 E662A654-E658 PolarHBondContact O-N 3.33Å; N655-E658 PolarHBondContact O-N 2.89Å; N655-E658 VanDerWaalsContact O-N 3.14Å; E658-R660 VanDerWaalsContact C-N 3.31Å; E658-R660 PolarHBondContact O-N 3.37Å; E658-Q661 CarbonylContact O-C 3.57Å; E658-Q661 WeakPolarHBondContact O-CA 3.35Å; E658-Q661 WeakPolarHBondContact O-CB 3.44Å; E658-Q661 PolarHBondContact O-N 2.9Å; E658-E662 PolarHBondContact O-N 3.49Å
659L95.1Very high93.3Very high81 Ų8197.8 Ų97.842%0.42448%0.484SS..Hα-helixtrans-58.5-39.2175.5-69.3169.6000112.4N655 Q661 E662 I663N655-L659 WeakPolarHBondContact O-CB 3.35Å; N655-L659 WeakPolarHBondContact O-CG 3.45Å; N655-L659 PolarHBondContact O-N 3.21Å; N655-L659 WeakPolarHBondContact OD1-CD1 3.36Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.42Å; L659-E662 PolarHBondContact O-N 3.44Å; L659-I663 WeakPolarHBondContact O-CB 3.33Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.47Å; L659-I663 PolarHBondContact O-N 3.08Å
660R93.5Very high93.1Very high134 Ų13497.4 Ų97.451%0.50648%0.481SS..Hα-helixtrans-65.2-30.1173-75.4176.1-160.1-79.2-13.3113D656 E658 R664D656-R660 WeakPolarHBondContact O-CB 3.29Å; D656-R660 WeakPolarHBondContact O-CG 3.22Å; D656-R660 PolarHBondContact O-N 2.98Å; D656-R660 IonicContact OD1-CZ 3.71Å; D656-R660 VanDerWaalsContact OD1-CZ 3.27Å; D656-R660 IonicContact OD1-NE 2.7Å; D656-R660 PolarHBondContact OD1-NE 2.89Å; D656-R660 IonicContact OD1-NH2 2.8Å; D656-R660 PolarHBondContact OD1-NH2 2.78Å; D656-R660 IonicContact OD2-CZ 3.37Å; D656-R660 IonicContact OD2-NE 3.6Å; D656-R660 PolarHBondContact OD2-NE 3.02Å; D656-R660 IonicContact OD2-NH2 3.72Å; E658-R660 VanDerWaalsContact C-N 3.31Å; E658-R660 PolarHBondContact O-N 3.37Å; R660-R664 WeakPolarHBondContact O-CG 3.47Å; R660-R664 VanDerWaalsContact O-CZ 3.24Å; R660-R664 PolarHBondContact O-N 2.69Å; R660-R664 PolarHBondContact O-NH1 2.99Å
661Q93.3Very high93Very high83 Ų8397.7 Ų97.739%0.38848%0.481SS..Hα-helixtrans-76.2-39.3172.9-174.157.941.900111.6R657 E658 L659 R664 N665R657-Q661 PolarHBondContact O-N 3.14Å; R657-Q661 VanDerWaalsContact O-N 3.12Å; E658-Q661 CarbonylContact O-C 3.57Å; E658-Q661 WeakPolarHBondContact O-CA 3.35Å; E658-Q661 WeakPolarHBondContact O-CB 3.44Å; E658-Q661 PolarHBondContact O-N 2.9Å; L659-Q661 VanDerWaalsContact C-N 3.29Å; L659-Q661 PolarHBondContact O-N 3.42Å; Q661-R664 PolarHBondContact O-N 3.09Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.27Å; Q661-N665 PolarHBondContact NE2-OD1 3.17Å; Q661-N665 PolarHBondContact O-N 3.44Å; Q661-N665 PolarHBondContact O-ND2 2.84Å; Q661-N665 PolarHBondContact O-OD1 3.02Å
662E92.9Very high92.9Very high105 Ų10596.9 Ų96.949%0.49147%0.473SS..Hα-helixtrans-60.1-46.3173.4-171.7177.6-162.600111.3E658 L659 R664 N665 L666E658-E662 PolarHBondContact O-N 3.49Å; L659-E662 PolarHBondContact O-N 3.44Å; E662-R664 VanDerWaalsContact C-N 3.31Å; E662-R664 PolarHBondContact O-N 3.02Å; E662-N665 WeakPolarHBondContact O-CB 3.33Å; E662-N665 PolarHBondContact O-N 3.4Å; E662-N665 VanDerWaalsContact O-N 3.1Å; E662-L666 HydrophobicContact CG-CD1 4.01Å; E662-L666 HydrophobicContact CG-CG 4.31Å; E662-L666 WeakPolarHBondContact O-CB 3.44Å; E662-L666 WeakPolarHBondContact O-CG 3.44Å; E662-L666 PolarHBondContact O-N 2.89Å
663I91.5Very high92.9Very high89 Ų8998.2 Ų98.246%0.45647%0.472SS..Hα-helixtrans-57.1-42.6175-70.8164.6000111.4L659 L666 Q667L659-I663 WeakPolarHBondContact O-CB 3.33Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.47Å; L659-I663 PolarHBondContact O-N 3.08Å; I663-L666 PolarHBondContact O-N 3.27Å; I663-Q667 HydrophobicContact CG2-CG 4.46Å; I663-Q667 WeakPolarHBondContact O-CB 3.45Å; I663-Q667 VanDerWaalsContact O-CG 3.24Å; I663-Q667 WeakPolarHBondContact O-CG 3.46Å; I663-Q667 PolarHBondContact O-N 3.19Å
664R93.1Very high92.7Very high116 Ų11699.3 Ų99.344%0.43847%0.473SS..Hα-helixtrans-62.2-46.4174.3-76-175.3-67.3-89.44.1111.7R660 Q661 E662 L666 Q667 T668R660-R664 WeakPolarHBondContact O-CG 3.47Å; R660-R664 VanDerWaalsContact O-CZ 3.24Å; R660-R664 PolarHBondContact O-N 2.69Å; R660-R664 PolarHBondContact O-NH1 2.99Å; Q661-R664 PolarHBondContact O-N 3.09Å; Q661-R664 VanDerWaalsContact OE1-CZ 3.27Å; E662-R664 VanDerWaalsContact C-N 3.31Å; E662-R664 PolarHBondContact O-N 3.02Å; R664-L666 VanDerWaalsContact C-N 3.33Å; R664-L666 PolarHBondContact O-N 3.42Å; R664-Q667 PolarHBondContact O-N 3.32Å; R664-T668 PolarHBondContact O-N 2.69Å; R664-T668 PolarHBondContact O-OG1 3.26Å; R664-T668 VanDerWaalsContact O-OG1 3.1Å
665N93.6Very high92.6Very high91 Ų9198.3 Ų98.349%0.48747%0.465SS..Hα-helixtrans-60.2-43178-63.4-14.7000111.5Q661 E662 T668 R669Q661-N665 PolarHBondContact NE2-OD1 3.17Å; Q661-N665 PolarHBondContact O-N 3.44Å; Q661-N665 PolarHBondContact O-ND2 2.84Å; Q661-N665 PolarHBondContact O-OD1 3.02Å; E662-N665 WeakPolarHBondContact O-CB 3.33Å; E662-N665 PolarHBondContact O-N 3.4Å; E662-N665 VanDerWaalsContact O-N 3.1Å; N665-T668 PolarHBondContact O-N 3.38Å; N665-R669 PolarHBondContact O-N 3.14Å
666L95.4Very high92.5Very high93 Ų9398.6 Ų98.649%0.48746%0.464SS..Hα-helixtrans-66.1-43177.1-70.7172.6000111.7E662 I663 R664 T668 R669 I670E662-L666 HydrophobicContact CG-CD1 4.01Å; E662-L666 HydrophobicContact CG-CG 4.31Å; E662-L666 WeakPolarHBondContact O-CB 3.44Å; E662-L666 WeakPolarHBondContact O-CG 3.44Å; E662-L666 PolarHBondContact O-N 2.89Å; I663-L666 PolarHBondContact O-N 3.27Å; R664-L666 VanDerWaalsContact C-N 3.33Å; R664-L666 PolarHBondContact O-N 3.42Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 2.89Å; L666-R669 PolarHBondContact O-N 3.01Å; L666-R669 VanDerWaalsContact O-N 3.17Å; L666-I670 VanDerWaalsContact O-CG1 3.27Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 3.35Å
667Q92.5Very high92.4Very high117 Ų117101.3 Ų101.355%0.54747%0.474SS..Hα-helixtrans-58.9-43.3173.4-75.6169.9-17.100111.8I663 R664 I670 F671I663-Q667 HydrophobicContact CG2-CG 4.46Å; I663-Q667 WeakPolarHBondContact O-CB 3.45Å; I663-Q667 VanDerWaalsContact O-CG 3.24Å; I663-Q667 WeakPolarHBondContact O-CG 3.46Å; I663-Q667 PolarHBondContact O-N 3.19Å; R664-Q667 PolarHBondContact O-N 3.32Å; Q667-I670 PolarHBondContact O-N 3.05Å; Q667-F671 PolarHBondContact O-N 2.94Å
668T93.8Very high92.4Very high98 Ų9898.6 Ų98.660%0.60146%0.464SS*.Hα-helixtrans-62.5-43.1173.4-54.70000111.8R664 N665 L666 F671 Q672R664-T668 PolarHBondContact O-N 2.69Å; R664-T668 PolarHBondContact O-OG1 3.26Å; R664-T668 VanDerWaalsContact O-OG1 3.1Å; N665-T668 PolarHBondContact O-N 3.38Å; L666-T668 VanDerWaalsContact C-N 3.33Å; L666-T668 PolarHBondContact O-N 2.89Å; T668-F671 PolarHBondContact O-N 2.94Å; T668-Q672 WeakPolarHBondContact O-CB 3.45Å; T668-Q672 PolarHBondContact O-N 2.86Å
669R94.8Very high92.3Very high112 Ų112100.6 Ų100.642%0.42347%0.473SS..Hα-helixtrans-67.7-34.7177.8-175.358.3-172.2143.65.1112.6N665 L666 Q672 L673 E676N665-R669 PolarHBondContact O-N 3.14Å; L666-R669 PolarHBondContact O-N 3.01Å; L666-R669 VanDerWaalsContact O-N 3.17Å; R669-Q672 VanDerWaalsContact NH1-CG 3.32Å; R669-Q672 PolarHBondContact O-N 3.48Å; R669-L673 HydrophobicContact CG-CD1 4.02Å; R669-L673 HydrophobicContact CG-CG 4.4Å; R669-L673 VanDerWaalsContact NH2-CD2 3.25Å; R669-L673 WeakPolarHBondContact O-CB 3.28Å; R669-L673 WeakPolarHBondContact O-CG 3.49Å; R669-L673 PolarHBondContact O-N 2.97Å; R669-E676 IonicContact CZ-OE1 3.13Å; R669-E676 IonicContact CZ-OE2 3.7Å; R669-E676 IonicContact NH1-OE1 2.7Å; R669-E676 PolarHBondContact NH1-OE1 2.95Å; R669-E676 IonicContact NH1-OE2 3.02Å; R669-E676 PolarHBondContact NH1-OE2 3.41Å; R669-E676 IonicContact NH2-OE1 2.66Å; R669-E676 IonicContact NH2-OE2 2.8Å; R669-E676 PolarHBondContact NH2-OE2 3.23Å
670I88.5Confident92.1Very high95 Ų95103.1 Ų103.149%0.48748%0.481SS..Hα-helixtrans-62.8-51.4173.7-70.9163.1000110.2L666 Q667 Q672 L673 E674L666-I670 VanDerWaalsContact O-CG1 3.27Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 3.35Å; Q667-I670 PolarHBondContact O-N 3.05Å; I670-Q672 VanDerWaalsContact C-N 3.25Å; I670-Q672 PolarHBondContact O-N 3.44Å; I670-L673 PolarHBondContact O-N 2.68Å; I670-L673 VanDerWaalsContact O-N 3.12Å; I670-E674 WeakPolarHBondContact O-CG 3.45Å; I670-E674 PolarHBondContact O-N 3.35Å
671F90.7Very high92Very high137 Ų137102.1 Ų102.160%0.60148%0.481SS*.Hα-helixtrans-58.7-38.6178.4-178.4-98000112.6Q667 T668 E674 A675Q667-F671 PolarHBondContact O-N 2.94Å; T668-F671 PolarHBondContact O-N 2.94Å; F671-E674 PolarHBondContact O-N 3.44Å; F671-A675 PolarHBondContact O-N 3.41Å
672Q91.6Very high92Very high91 Ų91101.6 Ų101.643%0.42548%0.483SS..Hα-helixtrans-67.6-43.1175178.758.734.700112.3T668 R669 I670 E674 A675 E676T668-Q672 WeakPolarHBondContact O-CB 3.45Å; T668-Q672 PolarHBondContact O-N 2.86Å; R669-Q672 VanDerWaalsContact NH1-CG 3.32Å; R669-Q672 PolarHBondContact O-N 3.48Å; I670-Q672 VanDerWaalsContact C-N 3.25Å; I670-Q672 PolarHBondContact O-N 3.44Å; Q672-E674 VanDerWaalsContact C-N 3.34Å; Q672-E674 PolarHBondContact O-N 3.09Å; Q672-A675 WeakPolarHBondContact O-CB 3.27Å; Q672-A675 PolarHBondContact O-N 2.96Å; Q672-A675 VanDerWaalsContact O-N 3.15Å; Q672-E676 VanDerWaalsContact CG-OE1 3.3Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.44Å; Q672-E676 PolarHBondContact NE2-OE1 3.28Å; Q672-E676 WeakPolarHBondContact O-CG 3.39Å; Q672-E676 PolarHBondContact O-N 3.24Å
673L92Very high92Very high82 Ų8298 Ų9843%0.42947%0.473SS..Hα-helixtrans-63.1-37.1173.7-80.8166000112.4R669 I670 A675 E676 H677R669-L673 HydrophobicContact CG-CD1 4.02Å; R669-L673 HydrophobicContact CG-CG 4.4Å; R669-L673 VanDerWaalsContact NH2-CD2 3.25Å; R669-L673 WeakPolarHBondContact O-CB 3.28Å; R669-L673 WeakPolarHBondContact O-CG 3.49Å; R669-L673 PolarHBondContact O-N 2.97Å; I670-L673 PolarHBondContact O-N 2.68Å; I670-L673 VanDerWaalsContact O-N 3.12Å; L673-A675 VanDerWaalsContact C-N 3.33Å; L673-E676 PolarHBondContact O-N 2.95Å; L673-H677 VanDerWaalsContact O-CB 3.31Å; L673-H677 WeakPolarHBondContact O-CB 3.24Å; L673-H677 PolarHBondContact O-N 3.17Å
674E90.5Very high92.1Very high91 Ų9198.9 Ų98.943%0.42548%0.476SS..Hα-helixtrans-65.7-36.2172.4-70-177.2-173.300112.1I670 F671 Q672 H677 R678I670-E674 WeakPolarHBondContact O-CG 3.45Å; I670-E674 PolarHBondContact O-N 3.35Å; F671-E674 PolarHBondContact O-N 3.44Å; Q672-E674 VanDerWaalsContact C-N 3.34Å; Q672-E674 PolarHBondContact O-N 3.09Å; E674-H677 PolarHBondContact O-N 2.8Å; E674-R678 WeakPolarHBondContact O-CB 3.36Å; E674-R678 VanDerWaalsContact O-CG 3.26Å; E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 PolarHBondContact O-N 2.89Å; E674-R678 PolarHBondContact O-NE 3.13Å; E674-R678 IonicContact OE2-CZ 3.7Å; E674-R678 IonicContact OE2-NH1 3.65Å; E674-R678 PolarHBondContact OE2-NH1 3.35Å; E674-R678 IonicContact OE2-NH2 2.74Å
675A91.2Very high92.1Very high31 Ų31100.2 Ų100.226%0.25648%0.481SS..Hα-helixtrans-65.9-49.117500000110.8F671 Q672 L673 H677 R678 E679F671-A675 PolarHBondContact O-N 3.41Å; Q672-A675 WeakPolarHBondContact O-CB 3.27Å; Q672-A675 PolarHBondContact O-N 2.96Å; Q672-A675 VanDerWaalsContact O-N 3.15Å; L673-A675 VanDerWaalsContact C-N 3.33Å; A675-H677 VanDerWaalsContact C-N 3.28Å; A675-H677 PolarHBondContact O-N 3.28Å; A675-R678 PolarHBondContact O-N 3.31Å; A675-E679 PolarHBondContact O-N 2.95Å
676E91.3Very high92.2Very high75 Ų7599.6 Ų99.635%0.3548%0.477SS..Hα-helixtrans-53.3-43.9172-73.2163-153.100111.3R669 Q672 L673 F680R669-E676 IonicContact CZ-OE1 3.13Å; R669-E676 IonicContact CZ-OE2 3.7Å; R669-E676 IonicContact NH1-OE1 2.7Å; R669-E676 PolarHBondContact NH1-OE1 2.95Å; R669-E676 IonicContact NH1-OE2 3.02Å; R669-E676 PolarHBondContact NH1-OE2 3.41Å; R669-E676 IonicContact NH2-OE1 2.66Å; R669-E676 IonicContact NH2-OE2 2.8Å; R669-E676 PolarHBondContact NH2-OE2 3.23Å; Q672-E676 VanDerWaalsContact CG-OE1 3.3Å; Q672-E676 WeakPolarHBondContact CG-OE1 3.44Å; Q672-E676 PolarHBondContact NE2-OE1 3.28Å; Q672-E676 WeakPolarHBondContact O-CG 3.39Å; Q672-E676 PolarHBondContact O-N 3.24Å; L673-E676 PolarHBondContact O-N 2.95Å; E676-F680 VanDerWaalsContact O-CB 3.3Å; E676-F680 WeakPolarHBondContact O-CB 3.49Å; E676-F680 PolarHBondContact O-N 3.23Å
677H90.9Very high92.2Very high120 Ų120102 Ų10256%0.55648%0.484SS*.Hα-helixtrans-69.9-39.4178.1-174.578.9000113.3L673 E674 A675 K681L673-H677 VanDerWaalsContact O-CB 3.31Å; L673-H677 WeakPolarHBondContact O-CB 3.24Å; L673-H677 PolarHBondContact O-N 3.17Å; E674-H677 PolarHBondContact O-N 2.8Å; A675-H677 VanDerWaalsContact C-N 3.28Å; A675-H677 PolarHBondContact O-N 3.28Å; H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 3.44Å
678R91.7Very high92.2Very high117 Ų117102.1 Ų102.144%0.44248%0.484SS..Hα-helixtrans-62.2-44.4174.4-78.3179.9-68.4-105.5-0.4111E674 A675 K681 V682E674-R678 WeakPolarHBondContact O-CB 3.36Å; E674-R678 VanDerWaalsContact O-CG 3.26Å; E674-R678 WeakPolarHBondContact O-CG 3.39Å; E674-R678 PolarHBondContact O-N 2.89Å; E674-R678 PolarHBondContact O-NE 3.13Å; E674-R678 IonicContact OE2-CZ 3.7Å; E674-R678 IonicContact OE2-NH1 3.65Å; E674-R678 PolarHBondContact OE2-NH1 3.35Å; E674-R678 IonicContact OE2-NH2 2.74Å; A675-R678 PolarHBondContact O-N 3.31Å; R678-K681 PolarHBondContact O-N 2.95Å; R678-V682 WeakPolarHBondContact O-CG2 3.48Å; R678-V682 PolarHBondContact O-N 3.45Å; R678-V682 VanDerWaalsContact O-N 3.16Å
679E90.2Very high92.2Very high154 Ų154103.5 Ų103.572%0.7249%0.485SS*.Hα-helixtrans-64.2-49.4176.1-174.1177.1177.700111.4A675 K681 V682 G683A675-E679 PolarHBondContact O-N 2.95Å; E679-K681 VanDerWaalsContact C-N 3.3Å; E679-K681 PolarHBondContact O-N 2.75Å; E679-V682 WeakPolarHBondContact O-CA 3.33Å; E679-V682 WeakPolarHBondContact O-CB 3.48Å; E679-V682 PolarHBondContact O-N 2.87Å; E679-G683 PolarHBondContact O-N 3.38Å
680F92Very high92.2Very high134 Ų134102.4 Ų102.459%0.58849%0.485SS*.Hα-helixtrans-54.5-44.9175.9-178.3-89.3000112E676 V682 G683 Q684E676-F680 VanDerWaalsContact O-CB 3.3Å; E676-F680 WeakPolarHBondContact O-CB 3.49Å; E676-F680 PolarHBondContact O-N 3.23Å; F680-V682 VanDerWaalsContact C-N 3.25Å; F680-V682 PolarHBondContact O-N 3.24Å; F680-G683 PolarHBondContact O-N 3.14Å; F680-Q684 WeakPolarHBondContact O-CB 3.44Å; F680-Q684 PolarHBondContact O-N 2.75Å
681K91.3Very high92.6Very high114 Ų114103.6 Ų103.650%0.49649%0.492SS..Hα-helixtrans-68.5-19.1177.7-171.9170.2-1771730113.6H677 R678 E679 R685H677-K681 VanDerWaalsContact O-CB 3.29Å; H677-K681 WeakPolarHBondContact O-CB 3.41Å; H677-K681 PolarHBondContact O-N 3.44Å; R678-K681 PolarHBondContact O-N 2.95Å; E679-K681 VanDerWaalsContact C-N 3.3Å; E679-K681 PolarHBondContact O-N 2.75Å; K681-R685 PolarHBondContact O-NE 2.86Å; K681-R685 PolarHBondContact O-NH2 2.92Å
682V93.2Very high92.8Very high71 Ų71102.9 Ų102.943%0.4349%0.491SS..Hα-helixtrans-83-50.7168.6171.40000110R678 E679 F680 Q684 R685 I686R678-V682 WeakPolarHBondContact O-CG2 3.48Å; R678-V682 PolarHBondContact O-N 3.45Å; R678-V682 VanDerWaalsContact O-N 3.16Å; E679-V682 WeakPolarHBondContact O-CA 3.33Å; E679-V682 WeakPolarHBondContact O-CB 3.48Å; E679-V682 PolarHBondContact O-N 2.87Å; F680-V682 VanDerWaalsContact C-N 3.25Å; F680-V682 PolarHBondContact O-N 3.24Å; V682-Q684 VanDerWaalsContact C-N 3.3Å; V682-Q684 PolarHBondContact O-N 3.36Å; V682-R685 PolarHBondContact O-N 2.91Å; V682-R685 VanDerWaalsContact O-N 3.13Å; V682-I686 HydrophobicContact CG1-CD1 3.8Å; V682-I686 HydrophobicContact CG1-CG1 4.44Å; V682-I686 WeakPolarHBondContact O-CG1 3.5Å; V682-I686 PolarHBondContact O-N 3.05Å
683G92.7Very high92.9Very high29 Ų29102.2 Ų102.230%0.29950%0.497SS..Hα-helixtrans-59.7-34.9179.400000114E679 F680 I686 K687E679-G683 PolarHBondContact O-N 3.38Å; F680-G683 PolarHBondContact O-N 3.14Å; G683-I686 PolarHBondContact O-N 2.74Å; G683-K687 WeakPolarHBondContact O-CG 3.32Å; G683-K687 PolarHBondContact O-N 2.76Å
684Q93.6Very high93.1Very high109 Ų109103.5 Ų103.551%0.50950%0.499SS..Hα-helixtrans-62.8-48.2173.4-175.3177.47.100111.7F680 V682 I686 K687 E688F680-Q684 WeakPolarHBondContact O-CB 3.44Å; F680-Q684 PolarHBondContact O-N 2.75Å; V682-Q684 VanDerWaalsContact C-N 3.3Å; V682-Q684 PolarHBondContact O-N 3.36Å; Q684-I686 VanDerWaalsContact C-N 3.33Å; Q684-I686 PolarHBondContact O-N 2.83Å; Q684-K687 PolarHBondContact O-N 3.11Å; Q684-E688 WeakPolarHBondContact O-CB 3.45Å; Q684-E688 PolarHBondContact O-N 3.45Å
685R93.7Very high93.4Very high143 Ų143103.6 Ų103.654%0.5450%0.502SS..Hα-helixtrans-66.4-32.9178.6-76.5-180-70.5157.71.8112.7K681 V682 M689K681-R685 PolarHBondContact O-NE 2.86Å; K681-R685 PolarHBondContact O-NH2 2.92Å; V682-R685 PolarHBondContact O-N 2.91Å; V682-R685 VanDerWaalsContact O-N 3.13Å; R685-M689 VanDerWaalsContact O-CB 3.28Å; R685-M689 WeakPolarHBondContact O-CB 3.33Å; R685-M689 PolarHBondContact O-N 3.27Å
686I94.3Very high93.6Very high79 Ų79104.6 Ų104.641%0.40551%0.511SS..Hα-helixtrans-65.1-48.4172.5-66.5169.5000110.1V682 G683 Q684 E688 M689 E690V682-I686 HydrophobicContact CG1-CD1 3.8Å; V682-I686 HydrophobicContact CG1-CG1 4.44Å; V682-I686 WeakPolarHBondContact O-CG1 3.5Å; V682-I686 PolarHBondContact O-N 3.05Å; G683-I686 PolarHBondContact O-N 2.74Å; Q684-I686 VanDerWaalsContact C-N 3.33Å; Q684-I686 PolarHBondContact O-N 2.83Å; I686-E688 VanDerWaalsContact C-N 3.34Å; I686-E688 PolarHBondContact O-N 3.49Å; I686-M689 PolarHBondContact O-N 2.98Å; I686-E690 PolarHBondContact O-N 3.02Å
687K95.3Very high93.8Very high144 Ų144105.4 Ų105.463%0.62651%0.514SS*.Hα-helixtrans-61.8-39.4177.2-72.8172.8-179.4178.70112.7G683 Q684 E690 L691G683-K687 WeakPolarHBondContact O-CG 3.32Å; G683-K687 PolarHBondContact O-N 2.76Å; Q684-K687 PolarHBondContact O-N 3.11Å; K687-E690 PolarHBondContact O-N 3.23Å; K687-L691 WeakPolarHBondContact O-CB 3.45Å; K687-L691 VanDerWaalsContact O-CG 3.26Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 3.48Å
688E93.3Very high94Very high119 Ų119102.8 Ų102.856%0.55651%0.51SS*.Hα-helixtrans-62.8-47.1174.3-175.3175.8-162.700111.4Q684 I686 E690 L691 M692Q684-E688 WeakPolarHBondContact O-CB 3.45Å; Q684-E688 PolarHBondContact O-N 3.45Å; I686-E688 VanDerWaalsContact C-N 3.34Å; I686-E688 PolarHBondContact O-N 3.49Å; E688-E690 PolarHBondContact O-N 2.84Å; E688-L691 PolarHBondContact O-N 2.93Å; E688-M692 WeakPolarHBondContact O-CG 3.46Å; E688-M692 PolarHBondContact O-N 3.23Å
689M94.2Very high94.2Very high127 Ų127101.3 Ų101.363%0.62651%0.51SS*.Hα-helixtrans-63.2-39.2175.4-175.617666.200112.6R685 I686 S693R685-M689 VanDerWaalsContact O-CB 3.28Å; R685-M689 WeakPolarHBondContact O-CB 3.33Å; R685-M689 PolarHBondContact O-N 3.27Å; I686-M689 PolarHBondContact O-N 2.98Å; M689-S693 VanDerWaalsContact O-CB 3.28Å; M689-S693 WeakPolarHBondContact O-CB 3.06Å; M689-S693 PolarHBondContact O-N 2.95Å
690E95Very high94.4Very high89 Ų89101 Ų10142%0.41651%0.511SS..Hα-helixtrans-62.7-43.4172.3-80.6-174.5-138.300112.5I686 K687 E688 S693 K694I686-E690 PolarHBondContact O-N 3.02Å; K687-E690 PolarHBondContact O-N 3.23Å; E688-E690 PolarHBondContact O-N 2.84Å; E690-S693 PolarHBondContact O-N 3.1Å; E690-K694 WeakPolarHBondContact O-CB 3.26Å; E690-K694 WeakPolarHBondContact O-CD 3.31Å; E690-K694 VanDerWaalsContact O-CG 3.26Å; E690-K694 WeakPolarHBondContact O-CG 3.33Å; E690-K694 PolarHBondContact O-N 3.46Å; E690-K694 IonicContact OE2-NZ 3.95Å; E690-K694 PolarHBondContact OE2-NZ 3.11Å
691L96.5Very high94.5Very high120 Ų120102 Ų10263%0.62851%0.511SS*.Hα-helixtrans-65.5-43.3178-74.7167.8000111K687 E688 S693 K694 L695K687-L691 WeakPolarHBondContact O-CB 3.45Å; K687-L691 VanDerWaalsContact O-CG 3.26Å; K687-L691 WeakPolarHBondContact O-CG 3.34Å; K687-L691 PolarHBondContact O-N 3.48Å; E688-L691 PolarHBondContact O-N 2.93Å; L691-S693 VanDerWaalsContact C-N 3.33Å; L691-S693 PolarHBondContact O-N 3.35Å; L691-K694 PolarHBondContact O-N 3.05Å; L691-L695 WeakPolarHBondContact O-CB 3.43Å; L691-L695 PolarHBondContact O-N 2.92Å
692M94.6Very high94.7Very high121 Ų121101 Ų10160%0.59651%0.51SS*.Hα-helixtrans-63.2-37.9173.9-70.9-62-69.300112.3E688 L695 A696E688-M692 WeakPolarHBondContact O-CG 3.46Å; E688-M692 PolarHBondContact O-N 3.23Å; M692-L695 PolarHBondContact O-N 3.41Å; M692-L695 HydrophobicContact SD-CD2 4.44Å; M692-A696 WeakPolarHBondContact O-CB 3.44Å; M692-A696 PolarHBondContact O-N 3.15Å
693S94.4Very high94.7Very high78 Ų78100.7 Ų100.755%0.54551%0.511SS..Hα-helixtrans-65.7-45.7174.5178.60000112.1M689 E690 L691 L695 A696 E697M689-S693 VanDerWaalsContact O-CB 3.28Å; M689-S693 WeakPolarHBondContact O-CB 3.06Å; M689-S693 PolarHBondContact O-N 2.95Å; E690-S693 PolarHBondContact O-N 3.1Å; L691-S693 VanDerWaalsContact C-N 3.33Å; L691-S693 PolarHBondContact O-N 3.35Å; S693-L695 VanDerWaalsContact C-N 3.34Å; S693-L695 PolarHBondContact O-N 3.03Å; S693-A696 PolarHBondContact O-N 2.9Å; S693-E697 WeakPolarHBondContact O-CB 3.46Å; S693-E697 PolarHBondContact O-N 3.31Å
694K96.1Very high94.8Very high109 Ų109106 Ų10647%0.47453%0.528SS..Hα-helixtrans-63.5-37.7175.5-72.2159.4-176.3158.90111.9E690 L691 S698E690-K694 WeakPolarHBondContact O-CB 3.26Å; E690-K694 WeakPolarHBondContact O-CD 3.31Å; E690-K694 VanDerWaalsContact O-CG 3.26Å; E690-K694 WeakPolarHBondContact O-CG 3.33Å; E690-K694 PolarHBondContact O-N 3.46Å; E690-K694 IonicContact OE2-NZ 3.95Å; E690-K694 PolarHBondContact OE2-NZ 3.11Å; L691-K694 PolarHBondContact O-N 3.05Å; K694-S698 VanDerWaalsContact O-CB 3.31Å; K694-S698 WeakPolarHBondContact O-CB 3.5Å; K694-S698 PolarHBondContact O-N 2.96Å
695L95.5Very high94.8Very high92 Ų92103.4 Ų103.448%0.48253%0.525SS..Hα-helixtrans-65.3-45.5173.8-179.860.3000111.6L691 M692 S693 S698 N699L691-L695 WeakPolarHBondContact O-CB 3.43Å; L691-L695 PolarHBondContact O-N 2.92Å; M692-L695 PolarHBondContact O-N 3.41Å; M692-L695 HydrophobicContact SD-CD2 4.44Å; S693-L695 VanDerWaalsContact C-N 3.34Å; S693-L695 PolarHBondContact O-N 3.03Å; L695-S698 PolarHBondContact O-N 3.31Å; L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 2.85Å; L695-N699 PolarHBondContact O-OD1 3.34Å
696A96.3Very high94.8Very high53 Ų53101.2 Ų101.244%0.43852%0.521SS..Hα-helixtrans-62.6-43.2175.900000112.3M692 S693 S698 N699 M700M692-A696 WeakPolarHBondContact O-CB 3.44Å; M692-A696 PolarHBondContact O-N 3.15Å; S693-A696 PolarHBondContact O-N 2.9Å; A696-S698 PolarHBondContact O-N 3.4Å; A696-N699 PolarHBondContact O-N 2.89Å; A696-M700 WeakPolarHBondContact O-CG 3.47Å; A696-M700 PolarHBondContact O-N 2.87Å
697E95.3Very high94.8Very high91 Ų91102.2 Ų102.243%0.42553%0.525SS..Hα-helixtrans-61.6-42.4174.9-166.5-164.3-165.100111.6S693 M700 R701S693-E697 WeakPolarHBondContact O-CB 3.46Å; S693-E697 PolarHBondContact O-N 3.31Å; E697-M700 PolarHBondContact O-N 3.41Å; E697-R701 VanDerWaalsContact CD-CZ 3.48Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.18Å; E697-R701 IonicContact OE1-NH1 3.07Å; E697-R701 PolarHBondContact OE1-NH1 2.76Å; E697-R701 IonicContact OE1-NH2 3.35Å; E697-R701 PolarHBondContact OE1-NH2 2.83Å; E697-R701 IonicContact OE2-CZ 3.84Å; E697-R701 IonicContact OE2-NH1 2.94Å; E697-R701 PolarHBondContact OE2-NH1 3.15Å; E697-R701 IonicContact OE2-NH2 3.86Å
698S94.8Very high94.7Very high66 Ų6698.3 Ų98.346%0.46252%0.516SS..Hα-helixtrans-64.1-42175.3-168.90000112.1K694 L695 A696 R701 L702K694-S698 VanDerWaalsContact O-CB 3.31Å; K694-S698 WeakPolarHBondContact O-CB 3.5Å; K694-S698 PolarHBondContact O-N 2.96Å; L695-S698 PolarHBondContact O-N 3.31Å; A696-S698 PolarHBondContact O-N 3.4Å; S698-R701 PolarHBondContact O-N 3.09Å; S698-L702 WeakPolarHBondContact O-CB 3.45Å; S698-L702 PolarHBondContact O-N 3.45Å
699N95.5Very high94.7Very high86 Ų8697.4 Ų97.446%0.4652%0.515SS..Hα-helixtrans-67.3-37.8178-69.3-7.4000111.8L695 A696 L702 S703L695-N699 WeakPolarHBondContact O-CB 3.41Å; L695-N699 PolarHBondContact O-N 2.85Å; L695-N699 PolarHBondContact O-OD1 3.34Å; A696-N699 PolarHBondContact O-N 2.89Å; N699-L702 PolarHBondContact O-N 2.9Å; N699-S703 WeakPolarHBondContact O-CB 3.33Å; N699-S703 PolarHBondContact O-N 2.95Å
700M94.5Very high94.7Very high147 Ų14797.4 Ų97.472%0.72451%0.513SS*.Hα-helixtrans-63-43.3171.1-75-17864.700112.1A696 E697 H704A696-M700 WeakPolarHBondContact O-CG 3.47Å; A696-M700 PolarHBondContact O-N 2.87Å; E697-M700 PolarHBondContact O-N 3.41Å; M700-H704 WeakPolarHBondContact O-CB 3.32Å; M700-H704 PolarHBondContact O-N 3Å
701R95Very high94.6Very high155 Ų15599 Ų9959%0.58552%0.52SS*.Hα-helixtrans-62.3-43.1175-76.8-179.1175.3119.110.9112.1E697 S698 H704 A705E697-R701 VanDerWaalsContact CD-CZ 3.48Å; E697-R701 WeakPolarHBondContact O-CG 3.48Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.18Å; E697-R701 IonicContact OE1-NH1 3.07Å; E697-R701 PolarHBondContact OE1-NH1 2.76Å; E697-R701 IonicContact OE1-NH2 3.35Å; E697-R701 PolarHBondContact OE1-NH2 2.83Å; E697-R701 IonicContact OE2-CZ 3.84Å; E697-R701 IonicContact OE2-NH1 2.94Å; E697-R701 PolarHBondContact OE2-NH1 3.15Å; E697-R701 IonicContact OE2-NH2 3.86Å; S698-R701 PolarHBondContact O-N 3.09Å; R701-H704 PolarHBondContact O-N 3.19Å; R701-A705 WeakPolarHBondContact O-CB 3.43Å; R701-A705 PolarHBondContact O-N 3.34Å
702L94.3Very high94.5Very high94 Ų9495.9 Ų95.949%0.49251%0.513SS..Hα-helixtrans-62.5-50.3177.1179.464.4000110.9S698 N699 H704 A705 E706S698-L702 WeakPolarHBondContact O-CB 3.45Å; S698-L702 PolarHBondContact O-N 3.45Å; N699-L702 PolarHBondContact O-N 2.9Å; L702-H704 VanDerWaalsContact C-N 3.3Å; L702-H704 PolarHBondContact O-N 3.35Å; L702-A705 CarbonylContact O-C 3.57Å; L702-A705 WeakPolarHBondContact O-CA 3.32Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.43Å; L702-E706 HydrophobicContact CD1-CG 4.32Å; L702-E706 HydrophobicContact CG-CG 4.41Å; L702-E706 WeakPolarHBondContact O-CG 3.44Å; L702-E706 PolarHBondContact O-N 2.84Å
703S94.1Very high94.4Very high64 Ų6494 Ų9445%0.44850%0.504SS..Hα-helixtrans-59.5-38.4178.2-176.80000112.7N699 E706 M707N699-S703 WeakPolarHBondContact O-CB 3.33Å; N699-S703 PolarHBondContact O-N 2.95Å; S703-E706 PolarHBondContact O-N 3.08Å; S703-M707 WeakPolarHBondContact O-CB 3.4Å; S703-M707 PolarHBondContact O-N 3.31Å
704H94.3Very high94.4Very high140 Ų14094.7 Ų94.765%0.64851%0.505SS*.Hα-helixtrans-66.2-39.5172.8-174.5-68.7000112.4M700 R701 L702 S708M700-H704 WeakPolarHBondContact O-CB 3.32Å; M700-H704 PolarHBondContact O-N 3Å; R701-H704 PolarHBondContact O-N 3.19Å; L702-H704 VanDerWaalsContact C-N 3.3Å; L702-H704 PolarHBondContact O-N 3.35Å; H704-S708 WeakPolarHBondContact O-CB 3.45Å; H704-S708 PolarHBondContact O-N 2.92Å
705A93.8Very high94.2Very high54 Ų5497.6 Ų97.645%0.44651%0.513SS..Hα-helixtrans-67.5-40.3176.200000112R701 L702 S708 N709R701-A705 WeakPolarHBondContact O-CB 3.43Å; R701-A705 PolarHBondContact O-N 3.34Å; L702-A705 CarbonylContact O-C 3.57Å; L702-A705 WeakPolarHBondContact O-CA 3.32Å; L702-A705 WeakPolarHBondContact O-CB 3.31Å; L702-A705 PolarHBondContact O-N 3.43Å; A705-S708 PolarHBondContact O-N 3.16Å; A705-N709 WeakPolarHBondContact O-CB 3.43Å; A705-N709 PolarHBondContact O-N 2.93Å
706E94.8Very high94.2Very high97 Ų9795.9 Ų95.945%0.45351%0.508SS..Hα-helixtrans-62.1-46.7173.7-71.8172.6163.300111.5L702 S703 S708 N709 Q710L702-E706 HydrophobicContact CD1-CG 4.32Å; L702-E706 HydrophobicContact CG-CG 4.41Å; L702-E706 WeakPolarHBondContact O-CG 3.44Å; L702-E706 PolarHBondContact O-N 2.84Å; S703-E706 PolarHBondContact O-N 3.08Å; E706-S708 VanDerWaalsContact C-N 3.35Å; E706-S708 PolarHBondContact O-N 3.14Å; E706-N709 PolarHBondContact O-N 3.17Å; E706-Q710 WeakPolarHBondContact O-CG 3.37Å; E706-Q710 PolarHBondContact O-N 2.83Å
707M92.5Very high93.9Very high101 Ų10199.1 Ų99.150%0.49852%0.515SS..Hα-helixtrans-60.7-43175.3-172.3-171.5-60.100111.8S703 Q710 Q711S703-M707 WeakPolarHBondContact O-CB 3.4Å; S703-M707 PolarHBondContact O-N 3.31Å; M707-Q710 PolarHBondContact O-N 2.83Å; M707-Q711 WeakPolarHBondContact O-CG 3.27Å; M707-Q711 PolarHBondContact O-N 3.23Å
708S94.1Very high93.8Very high61 Ų61100 Ų10043%0.42752%0.522SS..Hα-helixtrans-65.2-38.2176.6-175.70000112.2H704 A705 E706 Q711 A712H704-S708 WeakPolarHBondContact O-CB 3.45Å; H704-S708 PolarHBondContact O-N 2.92Å; A705-S708 PolarHBondContact O-N 3.16Å; E706-S708 VanDerWaalsContact C-N 3.35Å; E706-S708 PolarHBondContact O-N 3.14Å; S708-Q711 PolarHBondContact O-N 3.05Å; S708-A712 WeakPolarHBondContact O-CB 3.42Å; S708-A712 PolarHBondContact O-N 2.93Å
709N93.7Very high93.6Very high100 Ų10099.8 Ų99.854%0.53552%0.515SS..Hα-helixtrans-66.9-43.1174.4-169.814.7000111.7A705 E706 Q711 A712 I713A705-N709 WeakPolarHBondContact O-CB 3.43Å; A705-N709 PolarHBondContact O-N 2.93Å; E706-N709 PolarHBondContact O-N 3.17Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q711 PolarHBondContact O-N 2.88Å; N709-A712 PolarHBondContact O-N 2.82Å; N709-I713 VanDerWaalsContact O-CG1 3.29Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.34Å
710Q94.1Very high93.5Very high127 Ų127102.4 Ų102.459%0.59352%0.523SS*.Hα-helixtrans-58.8-44.3172.8-72.2174.914.700111.8E706 M707 A712 I713 V714E706-Q710 WeakPolarHBondContact O-CG 3.37Å; E706-Q710 PolarHBondContact O-N 2.83Å; M707-Q710 PolarHBondContact O-N 2.83Å; Q710-A712 PolarHBondContact O-N 3.38Å; Q710-I713 PolarHBondContact O-N 3.48Å; Q710-V714 WeakPolarHBondContact O-CG2 3.37Å; Q710-V714 PolarHBondContact O-N 2.86Å
711Q93.2Very high93.2Very high122 Ų12298.3 Ų98.357%0.5751%0.512SS*.Hα-helixtrans-59.3-45.9173.5-72.5173.512.100111.6M707 S708 N709 I713 V714 W715M707-Q711 WeakPolarHBondContact O-CG 3.27Å; M707-Q711 PolarHBondContact O-N 3.23Å; S708-Q711 PolarHBondContact O-N 3.05Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q711 PolarHBondContact O-N 2.88Å; Q711-I713 PolarHBondContact O-N 3.38Å; Q711-V714 PolarHBondContact O-N 3.41Å; Q711-W715 WeakPolarHBondContact O-CB 3.33Å; Q711-W715 PolarHBondContact O-N 3.45Å
712A92.7Very high93Very high56 Ų5696.5 Ų96.546%0.46351%0.51SS..Hα-helixtrans-63.6-37.3177.800000113.1S708 N709 Q710 W715 S716S708-A712 WeakPolarHBondContact O-CB 3.42Å; S708-A712 PolarHBondContact O-N 2.93Å; N709-A712 PolarHBondContact O-N 2.82Å; Q710-A712 PolarHBondContact O-N 3.38Å; A712-W715 PolarHBondContact O-N 2.91Å; A712-S716 WeakPolarHBondContact O-CB 3.47Å; A712-S716 PolarHBondContact O-N 2.84Å
713I92.6Very high92.7Very high82 Ų8296.7 Ų96.742%0.42151%0.508SS..Hα-helixtrans-65.2-47.2174.5-69.2163.5000110.5N709 Q710 Q711 W715 S716 Q717N709-I713 VanDerWaalsContact O-CG1 3.29Å; N709-I713 WeakPolarHBondContact O-CG1 3.46Å; N709-I713 PolarHBondContact O-N 3.34Å; Q710-I713 PolarHBondContact O-N 3.48Å; Q711-I713 PolarHBondContact O-N 3.38Å; I713-W715 VanDerWaalsContact C-N 3.33Å; I713-W715 PolarHBondContact O-N 2.99Å; I713-S716 PolarHBondContact O-N 2.85Å; I713-Q717 WeakPolarHBondContact O-CG 3.41Å; I713-Q717 PolarHBondContact O-N 3.05Å
714V94.4Very high92.4Very high92 Ų9296 Ų9656%0.55851%0.506SS*.Hα-helixtrans-61.6-41.4176171.30000110.9Q710 Q711 Q717 L718Q710-V714 WeakPolarHBondContact O-CG2 3.37Å; Q710-V714 PolarHBondContact O-N 2.86Å; Q711-V714 PolarHBondContact O-N 3.41Å; V714-Q717 PolarHBondContact O-N 2.96Å; V714-L718 WeakPolarHBondContact O-CB 3.26Å; V714-L718 PolarHBondContact O-N 2.88Å
715W93.8Very high91.9Very high170 Ų17091.2 Ų91.264%0.64449%0.491SS*.Hα-helixtrans-64-41.2175.7-133.1102.4000112Q711 A712 I713 L718 N719Q711-W715 WeakPolarHBondContact O-CB 3.33Å; Q711-W715 PolarHBondContact O-N 3.45Å; A712-W715 PolarHBondContact O-N 2.91Å; I713-W715 VanDerWaalsContact C-N 3.33Å; I713-W715 PolarHBondContact O-N 2.99Å; W715-L718 PolarHBondContact O-N 3.47Å; W715-N719 HydrophobicContact CE3-CB 4.34Å; W715-N719 HydrophobicContact CZ3-CB 4.32Å; W715-N719 WeakPolarHBondContact O-CB 3.26Å; W715-N719 PolarHBondContact O-N 3.46Å
716S93.5Very high91.5Very high55 Ų5591.3 Ų91.339%0.38549%0.486SS..Hα-helixtrans-65.1-38175-173.30000112.4A712 I713 K720A712-S716 WeakPolarHBondContact O-CB 3.47Å; A712-S716 PolarHBondContact O-N 2.84Å; I713-S716 PolarHBondContact O-N 2.85Å; S716-K720 WeakPolarHBondContact O-CB 3.3Å; S716-K720 VanDerWaalsContact O-CG 3.27Å; S716-K720 WeakPolarHBondContact O-CG 3.13Å; S716-K720 PolarHBondContact O-N 2.91Å
717Q91.8Very high90.7Very high122 Ų12292.5 Ų92.557%0.5750%0.495SS*.Hα-helixtrans-67.7-43173.7-71.9177.35.400111.7I713 V714 K720 A721I713-Q717 WeakPolarHBondContact O-CG 3.41Å; I713-Q717 PolarHBondContact O-N 3.05Å; V714-Q717 PolarHBondContact O-N 2.96Å; Q717-K720 PolarHBondContact O-N 3.41Å; Q717-A721 WeakPolarHBondContact O-CB 3.37Å; Q717-A721 PolarHBondContact O-N 3.06Å
718L92.2Very high89.9Confident110 Ų11095.1 Ų95.158%0.57651%0.51SS*.Hα-helixtrans-60.4-45.3175.2-174.970.3000111.1V714 W715 A721 H722V714-L718 WeakPolarHBondContact O-CB 3.26Å; V714-L718 PolarHBondContact O-N 2.88Å; W715-L718 PolarHBondContact O-N 3.47Å; L718-A721 PolarHBondContact O-N 3.29Å; L718-H722 WeakPolarHBondContact O-CB 3.34Å; L718-H722 PolarHBondContact O-N 3.45Å
719N91.3Very high88.7Confident61 Ų6199 Ų9933%0.32653%0.526SS..Hα-helixtrans-64.7-43.2176.7-157.1112.4000111.2W715 A721 H722 E723W715-N719 HydrophobicContact CE3-CB 4.34Å; W715-N719 HydrophobicContact CZ3-CB 4.32Å; W715-N719 WeakPolarHBondContact O-CB 3.26Å; W715-N719 PolarHBondContact O-N 3.46Å; N719-A721 VanDerWaalsContact C-N 3.32Å; N719-A721 PolarHBondContact O-N 3.41Å; N719-H722 WeakPolarHBondContact O-CA 3.34Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; N719-H722 VanDerWaalsContact O-N 3.09Å; N719-E723 PolarHBondContact ND2-OE1 3.27Å; N719-E723 WeakPolarHBondContact O-CG 3.37Å; N719-E723 PolarHBondContact O-N 3.22Å
720K92Very high87.1Confident141 Ų14198.3 Ų98.361%0.61353%0.525SS*.Hα-helixtrans-61.1-38.7175.1-75.8169.2-178.9173.60112.8S716 Q717 H722 A724S716-K720 WeakPolarHBondContact O-CB 3.3Å; S716-K720 VanDerWaalsContact O-CG 3.27Å; S716-K720 WeakPolarHBondContact O-CG 3.13Å; S716-K720 PolarHBondContact O-N 2.91Å; Q717-K720 PolarHBondContact O-N 3.41Å; K720-H722 VanDerWaalsContact C-N 3.32Å; K720-A724 VanDerWaalsContact O-CB 3.3Å; K720-A724 WeakPolarHBondContact O-CB 3.38Å; K720-A724 PolarHBondContact O-N 3.48Å
721A89.3Confident85.1Confident60 Ų6097.3 Ų97.350%0.49653%0.529SS..Hα-helixtrans-68.5-32.5173.900000112Q717 L718 N719 A725Q717-A721 WeakPolarHBondContact O-CB 3.37Å; Q717-A721 PolarHBondContact O-N 3.06Å; L718-A721 PolarHBondContact O-N 3.29Å; N719-A721 VanDerWaalsContact C-N 3.32Å; N719-A721 PolarHBondContact O-N 3.41Å; A721-A725 VanDerWaalsContact O-CB 3.25Å; A721-A725 WeakPolarHBondContact O-CB 3.32Å; A721-A725 PolarHBondContact O-N 3.36Å
722H90.6Very high82.8Confident117 Ų11796.5 Ų96.554%0.54254%0.544SS..Hα-helixtrans-68.2-51173.2-172.958.3000111.9L718 N719 K720 A724 A725 V726L718-H722 WeakPolarHBondContact O-CB 3.34Å; L718-H722 PolarHBondContact O-N 3.45Å; N719-H722 WeakPolarHBondContact O-CA 3.34Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; N719-H722 VanDerWaalsContact O-N 3.09Å; K720-H722 VanDerWaalsContact C-N 3.32Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.36Å; H722-A725 PolarHBondContact O-N 3Å; H722-A725 VanDerWaalsContact O-N 3.13Å; H722-V726 WeakPolarHBondContact O-CG2 3.47Å; H722-V726 PolarHBondContact O-N 2.94Å
723E88.6Confident80.6Confident99 Ų99102.3 Ų102.346%0.46356%0.561SS.*Hα-helixtrans-55.8-48.4174.5-57.9-53151.200110.7N719 A725 V726 D727N719-E723 PolarHBondContact ND2-OE1 3.27Å; N719-E723 WeakPolarHBondContact O-CG 3.37Å; N719-E723 PolarHBondContact O-N 3.22Å; E723-A725 VanDerWaalsContact C-N 3.29Å; E723-A725 PolarHBondContact O-N 3.1Å; E723-V726 CarbonylContact O-C 3.54Å; E723-V726 WeakPolarHBondContact O-CA 3.06Å; E723-V726 WeakPolarHBondContact O-CB 3.47Å; E723-V726 PolarHBondContact O-N 3.15Å; E723-D727 PolarHBondContact O-N 3.35Å
724A86.3Confident78.1Confident48 Ų48102.8 Ų102.840%0.39757%0.572SS.*Hα-helixtrans-64.6-30.4179.100000113.4K720 H722 L728K720-A724 VanDerWaalsContact O-CB 3.3Å; K720-A724 WeakPolarHBondContact O-CB 3.38Å; K720-A724 PolarHBondContact O-N 3.48Å; H722-A724 VanDerWaalsContact C-N 3.34Å; H722-A724 PolarHBondContact O-N 3.36Å; A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.31Å; A724-L728 WeakPolarHBondContact O-CG 3.31Å; A724-L728 PolarHBondContact O-N 2.97Å; A724-L728 VanDerWaalsContact O-N 3.12Å
725A85.2Confident75.6Confident40 Ų40106.9 Ų106.933%0.33159%0.585SS.*Hα-helixtrans-73.6-34.9171.700000111.9A721 H722 E723 L728 L729A721-A725 VanDerWaalsContact O-CB 3.25Å; A721-A725 WeakPolarHBondContact O-CB 3.32Å; A721-A725 PolarHBondContact O-N 3.36Å; H722-A725 PolarHBondContact O-N 3Å; H722-A725 VanDerWaalsContact O-N 3.13Å; E723-A725 VanDerWaalsContact C-N 3.29Å; E723-A725 PolarHBondContact O-N 3.1Å; A725-L728 PolarHBondContact O-N 3.06Å; A725-L729 VanDerWaalsContact O-CB 3.3Å; A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CD1 3.38Å; A725-L729 WeakPolarHBondContact O-CG 3.42Å; A725-L729 PolarHBondContact O-N 2.92Å
726V84.7Confident73.1Confident57 Ų57106 Ų10635%0.34560%0.599SS.*Hα-helixtrans-66.3-43.4172.3170.50000110.7H722 E723 L728 L729 T730H722-V726 WeakPolarHBondContact O-CG2 3.47Å; H722-V726 PolarHBondContact O-N 2.94Å; E723-V726 CarbonylContact O-C 3.54Å; E723-V726 WeakPolarHBondContact O-CA 3.06Å; E723-V726 WeakPolarHBondContact O-CB 3.47Å; E723-V726 PolarHBondContact O-N 3.15Å; V726-L728 VanDerWaalsContact C-N 3.34Å; V726-L728 PolarHBondContact O-N 3.11Å; V726-L729 CarbonylContact O-C 3.57Å; V726-L729 PolarHBondContact O-N 3.22Å; V726-T730 VanDerWaalsContact O-CB 3.28Å; V726-T730 WeakPolarHBondContact O-CB 3.38Å; V726-T730 PolarHBondContact O-N 3.5Å; V726-T730 PolarHBondContact O-OG1 2.75Å
727D78.2Confident70.4Confident122 Ų122108.4 Ų108.465%0.65262%0.615SS**Hα-helixtrans-58.5-43.6173.5-78.2-26.6000111.7E723 T730E723-D727 PolarHBondContact O-N 3.35Å; D727-T730 PolarHBondContact O-N 3.18Å
728L75.3Confident67.9Low155 Ų155110.1 Ų110.181%0.81263%0.627SS**Hα-helixtrans-69.1-29.6176.4-76.5169.1000113.8A724 A725 V726A724-L728 WeakPolarHBondContact O-CB 3.46Å; A724-L728 VanDerWaalsContact O-CG 3.31Å; A724-L728 WeakPolarHBondContact O-CG 3.31Å; A724-L728 PolarHBondContact O-N 2.97Å; A724-L728 VanDerWaalsContact O-N 3.12Å; A725-L728 PolarHBondContact O-N 3.06Å; V726-L728 VanDerWaalsContact C-N 3.34Å; V726-L728 PolarHBondContact O-N 3.11Å
729L69.6Low65.6Low144 Ų144112.9 Ų112.975%0.75464%0.641SS**Hα-helixtrans-87.3-14.1177.5-72.6169.1000113.2A725 V726 P731A725-L729 VanDerWaalsContact O-CB 3.3Å; A725-L729 WeakPolarHBondContact O-CB 3.42Å; A725-L729 WeakPolarHBondContact O-CD1 3.38Å; A725-L729 WeakPolarHBondContact O-CG 3.42Å; A725-L729 PolarHBondContact O-N 2.92Å; V726-L729 CarbonylContact O-C 3.57Å; V726-L729 PolarHBondContact O-N 3.22Å; L729-P731 WeakPolarHBondContact O-CD 3.44Å
730T59.4Low63Low84 Ų84115 Ų11552%0.51566%0.661SS.*SBendtrans-90.8108.7178.3-59.10000109V726 D727 A732V726-T730 VanDerWaalsContact O-CB 3.28Å; V726-T730 WeakPolarHBondContact O-CB 3.38Å; V726-T730 PolarHBondContact O-N 3.5Å; V726-T730 PolarHBondContact O-OG1 2.75Å; D727-T730 PolarHBondContact O-N 3.18Å; T730-A732 PolarHBondContact O-N 3.42Å
731P52.6Low60.8Low106 Ų106114 Ų11469%0.68867%0.669SS**  trans-62.4137.8-179.2-20.133.5000110.2L729 H733L729-P731 WeakPolarHBondContact O-CD 3.44Å; P731-H733 PolarHBondContact O-N 2.98Å
732A44.7Very low58.5Low105 Ų105116.7 Ų116.787%0.86868%0.683SS**  trans-66.278.3-179.300000112T730 S734T730-A732 PolarHBondContact O-N 3.42Å; A732-S734 PolarHBondContact O-N 3.41Å
733H45.7Very low55.9Low178 Ų178119.5 Ų119.582%0.82470%0.698SS**  trans-89.498-177.5-148.382.2000110.7P731P731-H733 PolarHBondContact O-N 2.98Å
734S41.8Very low53.6Low93 Ų93122.6 Ų122.665%0.6572%0.717SS**  trans-55.9144.1176.1-56.70000112.7A732A732-S734 PolarHBondContact O-N 3.41Å
735Q40.7Very low51.1Low177 Ų177126.5 Ų126.583%0.82774%0.736SS**  trans64.899.5164-51.9178.127.700117.2
736T40.7Very low48.9Very low153 Ų153132.7 Ų132.794%0.93976%0.76SS**  -166.2155.5106.416.40000110.5
737S37.9Very low46.6Very low105 Ų105139 Ų13973%0.73479%0.786SS**  trans-115.5162.9179550000110.9
738L39.8Very low44.5Very low157 Ų157138.3 Ų138.382%0.82279%0.79SS**  trans7294.3172.5-46.3177.8000116.4
739I42.9Very low42.9Very low168 Ų168135.9 Ų135.986%0.86278%0.784SS**  176.9143.4107.3-87.7154.7000109.4
740S37.2Very low41.3Very low106 Ų106134.3 Ų134.374%0.74179%0.785SS**PPolyproline II helixtrans-99.3135-174.8175.10000112.7
741P46.4Very low40.2Very low121 Ų121136.5 Ų136.579%0.78680%0.798SS**PPolyproline II helixtrans-83.5143.9156.7-9.328000111.7
742C39.1Very low39.3Very low116 Ų116134.9 Ų134.978%0.78479%0.79SS**PPolyproline II helixtrans-70.4149.7179-174.20000112.8L744C742-L744 PolarHBondContact O-N 3.42Å
743M37.1Very low38.9Very low175 Ų175141 Ų14186%0.86279%0.791SS**PPolyproline II helixtrans-52.7119.9169.1-68.7-75.7-75.200111.1
744L40.7Very low38.4Very low164 Ų164142.4 Ų142.486%0.85979%0.79SS**  trans-96.9113.1167.2-82.9170000109.6C742 M746C742-L744 PolarHBondContact O-N 3.42Å; L744-M746 PolarHBondContact O-N 3.13Å
745T33.4Very low38.2Very low131 Ų131143.8 Ų143.880%0.80479%0.794SS**  trans-71.3113.6175.648.50000110.7
746M39.7Very low38.1Very low169 Ų169142.9 Ų142.983%0.83379%0.794SS**  trans-12376173.1-74.5-67.7-68.400110L744 S748L744-M746 PolarHBondContact O-N 3.13Å; M746-S748 PolarHBondContact O-N 3.24Å
747E34.7Very low37.8Very low191 Ų191140.3 Ų140.389%0.89379%0.788SS**  trans-74.9104.9168.9-77.1-170.3115.400110.4
748S35.3Very low37.8Very low106 Ų106141.6 Ų141.674%0.74179%0.787SS**  trans-173.3154.4166.7-86.70000111.8M746M746-S748 PolarHBondContact O-N 3.24Å
749P40.9Very low37.7Very low105 Ų105140.1 Ų140.168%0.68278%0.78SS**  cis-137.4-171.9-3439.5-23.1000111.9
750S36Very low37.5Very low110 Ų110140.1 Ų140.177%0.76978%0.781SS**  trans65.8148.3165.554.80000116.7
751T36.4Very low37.6Very low130 Ų130142 Ų14280%0.79878%0.783SS**  cis-138.6135.331.5-63.70000114.6
752S34.4Very low37.1Very low73 Ų73140.6 Ų140.651%0.5178%0.776SS.*  trans16.2120.1162.1-156.60000121.2Y754S752-Y754 WeakPolarHBondContact OG-CD2 3.43Å; S752-Y754 VanDerWaalsContact OG-CE2 3.28Å; S752-Y754 WeakPolarHBondContact OG-CE2 3.31Å
753R35.6Very low37.1Very low234 Ų234141.1 Ų141.188%0.88378%0.776SS**  trans-103.587.3158.1-163.9-170.9-60.7174.21.8109T755R753-T755 PolarHBondContact O-N 2.89Å
754Y34.8Very low37Very low206 Ų206139.2 Ų139.281%0.80877%0.769SS**  trans-72.891.9-179.2-94.8-68.8000112.6S752S752-Y754 WeakPolarHBondContact OG-CD2 3.43Å; S752-Y754 VanDerWaalsContact OG-CE2 3.28Å; S752-Y754 WeakPolarHBondContact OG-CE2 3.31Å
755T39.1Very low36.9Very low122 Ų122137.2 Ų137.275%0.74876%0.76SS**  trans-85.6102.2159.746.90000109.6R753 A757R753-T755 PolarHBondContact O-N 2.89Å; T755-A757 PolarHBondContact O-N 3.33Å
756I37.8Very low37.1Very low158 Ų158137.3 Ų137.381%0.8176%0.755SS**  trans-76.8104175.3-59176000108.9
757A35Very low36.9Very low99 Ų99136 Ų13682%0.81875%0.752SS**  trans-137.196.9166.700000108.3T755T755-A757 PolarHBondContact O-N 3.33Å
758N36.7Very low37.2Very low133 Ų133134.5 Ų134.571%0.71175%0.749SS**  trans-131.8118.4178.7-172.917.5000110.1
759N38.5Very low37.2Very low126 Ų126136.4 Ų136.467%0.67475%0.751SS**  trans16.1129.2161.6-63.8-62.9000120
760N39.6Very low37.2Very low167 Ų167137.8 Ų137.889%0.89376%0.758SS**  -133.5141.8116.8-105.4-39.9000110.5
761N38.1Very low37.1Very low145 Ų145136.3 Ų136.378%0.77576%0.76SS**  trans-63.6161.7169.1-73.6-49.4000109.2
762S36.5Very low36.9Very low92 Ų92136.5 Ų136.564%0.64377%0.765SS**  cis-168.7155.644.8-174.80000111.9
763T38.4Very low37.2Very low127 Ų127140.6 Ų140.678%0.77977%0.774SS**  trans39.8143.8150.149.30000121.1
764N36.1Very low37.4Very low135 Ų135136 Ų13672%0.72276%0.762SS**  cis167.6153.2-20-140.95000105
765N38.8Very low37.6Very low123 Ų123133.6 Ų133.666%0.65876%0.763SS**  trans77.4130.8152.7-68.8-3.3000123
766N37Very low37.5Very low133 Ų133131 Ų13171%0.71176%0.762SS**  trans74.8113.7153-55.8-18.4000117.6
767N36.3Very low37.6Very low142 Ų142131.3 Ų131.376%0.75976%0.761SS**  83.114051.3-76-22.9000114.4
768N39.5Very low37.8Very low158 Ų158133.3 Ų133.385%0.84576%0.758SS**  trans108.993-174.7-61.8-15.6000110.2
769N36Very low37.9Very low146 Ų146133.3 Ų133.378%0.78176%0.757SS**  cis74.114634.3-158.318.3000114.5
770T40.6Very low37.8Very low135 Ų135133.5 Ų133.583%0.82877%0.767SS**  trans71135.6-170.672.60000115.1
771G34.9Very low37.6Very low78 Ų78137.3 Ų137.380%0.80477%0.769SS**  cis-163.7161.1-500000113.6
772C32.1Very low37.5Very low134 Ų134135.6 Ų135.691%0.90577%0.768SS**  trans-108.7150.4179-58.10000111.4
773K39.9Very low37.5Very low160 Ų160139.9 Ų139.970%0.69678%0.775SS**  trans-145125.9162.8-86.4-169.7162-74.60107.2
774E39.4Very low37.2Very low136 Ų136140.6 Ų140.664%0.63677%0.774SS**  67.2129100.8-61.7160.4-168.100112.9
775D39.3Very low37.1Very low156 Ų156141.4 Ų141.483%0.83478%0.778SS**  cis-163.3170-3.8-98-32.3000111.2
776G38Very low36.8Very low69 Ų69145.4 Ų145.471%0.71179%0.79SS**  trans99.3104.6166.700000115.5
777M39Very low36.9Very low163 Ų163145.1 Ų145.180%0.80380%0.795SS**  59.197.870.6-78.4-65.9-138.300116.6I779M777-I779 HydrophobicContact SD-CD1 4.41Å
778D38.9Very low36.7Very low141 Ų141143.2 Ų143.275%0.75479%0.794SS**  178.5107.6113.4-91.1-15.8000110.2
779I38.6Very low36.3Very low134 Ų134142.8 Ų142.869%0.68779%0.789SS**  62.592.492-58172.2000114.6M777M777-I779 HydrophobicContact SD-CD1 4.41Å
780C36.7Very low36.3Very low129 Ų129141 Ų14187%0.87279%0.789SS**  -168.6150.3124.5-111.70000113.4
781R34.9Very low36.1Very low248 Ų248145.1 Ų145.194%0.93679%0.789SS**  trans-112.9138.5176.6-65.8168.4166.6174.7-5.7110.4
782S36.3Very low36Very low109 Ų109153 Ų15376%0.76280%0.796SS**  trans-165.9112.3138.5-162.90000115.4
783K36.4Very low36.1Very low181 Ų181150.2 Ų150.279%0.78779%0.79SS**  trans32.3114.8137.8-58.5174.2-179.4176.30120.8
784N33.4Very low36.2Very low142 Ų142150.4 Ų150.476%0.75980%0.799SS**  35.4125.8120.5-48.27.7000120
785N33.9Very low36.1Very low153 Ų153150.7 Ų150.782%0.81880%0.804SS**  -174.4134.7101.2-91.7-15.6000113
786F32.4Very low36.1Very low207 Ų207153.7 Ų153.791%0.90880%0.804SS**  trans-90.1149.5153.7-84.7-93.7000109
787P38.1Very low36.1Very low126 Ų126161.3 Ų161.382%0.81881%0.811SS**  trans-124.4146.8148.535.9-26000111.9
788S33Very low36.2Very low103 Ų103160.6 Ų160.672%0.7281%0.81SS**  trans-133.8154.4173.657.80000110.7
789I31.1Very low36.2Very low148 Ų148161 Ų16176%0.75982%0.818SS**  trans69.2112.3167-55.9160.8000117.4R791I789-R791 HydrophobicContact CG2-CG 4.41Å
790S34.8Very low36.2Very low109 Ų109160.3 Ų160.376%0.76283%0.825SS**  trans-159.5105.1133-162.70000107.9
791R37.5Very low36.2Very low222 Ų222157 Ų15784%0.83881%0.813SS**  59.412293.3-63.6-169-168.6-1605.9115.5I789I789-R791 HydrophobicContact CG2-CG 4.41Å
792Y32.5Very low36.2Very low242 Ų242156.1 Ų156.195%0.94981%0.809SS**  trans-6.4132.6157.4-89.3-99.4000119.2
793G34.7Very low36.3Very low76 Ų76159.5 Ų159.578%0.78481%0.811SS**  trans106.6107.4150.400000115.4
794D40.5Very low36.5Very low165 Ų165156.2 Ų156.288%0.88281%0.806SS**  -154.8167.897.2-142.8-22.4000111.9
795L38Very low36.6Very low142 Ų142156.4 Ų156.474%0.74381%0.807SS**  trans-117.5145.8179.9-96.4131.2000111.1
796R38.5Very low36.8Very low218 Ų218157 Ų15782%0.82381%0.809SS**  trans66.886161.7-57.5163170-148.9-2.6117.5
797R39.5Very low37.3Very low230 Ų230153 Ų15387%0.86881%0.807SS**  trans-175.9143131.2-100.8156.3-79.2-164.61.6107.6
798D40.1Very low37.3Very low147 Ų147155.9 Ų155.979%0.78681%0.807SS**  cis-125.9161.315.7-75.4-59.4000114.7
799V39.4Very low37.6Very low150 Ų150157.6 Ų157.691%0.90981%0.813SS**  trans-137.1103.9170.11760000109.3
800S37.8Very low37.9Very low119 Ų119156.6 Ų156.683%0.83281%0.814SS**  trans-165.5144.8162.9-163.90000111.5
801G38Very low38.1Very low61 Ų61158.3 Ų158.363%0.62981%0.813SS**  trans87.880.1-177.500000112.9
802R34.6Very low38Very low228 Ų228157.3 Ų157.386%0.8682%0.815SS**  59.8127.569.4-57.1179.7174.7-173.3-0.3112.1
803K39.1Very low38.6Very low181 Ų181151.7 Ų151.779%0.78781%0.806SS**  cis-156.5178.95.1-122.2178.1-179-167.20111.6
804T39.1Very low39Very low111 Ų111155.6 Ų155.668%0.68180%0.804SS**  trans-39.5158.2173.458.50000114.6
805D37.1Very low39.2Very low147 Ų147156.3 Ų156.379%0.78680%0.804SS**  -139.9146.753.2-64.4-35.6000117.1
806L37.1Very low39.5Very low165 Ų165156.3 Ų156.386%0.86481%0.805SS**  trans-144.287.6171-96171.9000109.4K808L806-K808 PolarHBondContact O-N 2.97Å
807S43.6Very low39.4Very low124 Ų124159.1 Ų159.187%0.86782%0.823SS**  trans-85.993.3177.553.50000111.4
808K38.5Very low39.4Very low186 Ų186155.6 Ų155.681%0.80982%0.821SS**  trans-77.4143.3170.9-66.1-179.7177.2-179.30111.4L806L806-K808 PolarHBondContact O-N 2.97Å
809T38Very low39.4Very low138 Ų138156 Ų15685%0.84782%0.822SS**  trans-139.976.2156.752.30000111.8
810T36.9Very low39.4Very low128 Ų128156.3 Ų156.379%0.78582%0.818SS**  trans-131.5125.1152.8-49.20000107.1
811I39.2Very low39.5Very low144 Ų144158.5 Ų158.574%0.73882%0.817SS**  trans-94.5128.2-175.2-59.4166.6000108.5
812F36.2Very low39.6Very low201 Ų201164.6 Ų164.688%0.88283%0.829SS**  trans-133.9121.3156.1-99.2-82000108.3E814F812-E814 PolarHBondContact O-N 3.15Å
813T45.1Very low39.9Very low124 Ų124160.4 Ų160.476%0.76183%0.826SS**  trans-87.5108.1-176.3-46.90000109.3
814E43.6Very low40Very low158 Ų158158.9 Ų158.974%0.73883%0.829SS**  trans-81.2124.9170.8-176.1177-147.600109.9F812 N816F812-E814 PolarHBondContact O-N 3.15Å; E814-N816 PolarHBondContact OE1-ND2 3.3Å
815M44Very low40Very low180 Ų180162.6 Ų162.689%0.88784%0.841SS**  trans-143.591.1156.9-83.5-142-67.900109.5
816N43.4Very low40.3Very low143 Ų143163.9 Ų163.977%0.76585%0.845SS**  trans-66.7133.9163.1-85.1-57.3000110.1E814E814-N816 PolarHBondContact OE1-ND2 3.3Å
817K38.1Very low40.6Very low276 Ų276163.8 Ų163.8100%1.284%0.843SS**  trans-154.90159.6-146.4-173.6-175.5-172.80110.9

Retrieved 817 of 817 residues in 507.8 ms (Link to these results)