A0A087YLB2_POEFO Loading...

Coiled-coil serine-rich protein 2a

AlphaFold DB , UniProt , Accession A0A087YLB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low39Very low213 Ų213134.9 Ų134.9100%1.04976%0.764SS**  0880-72.5169.9-86.400107.5
2E36.8Very low38.6Very low157 Ų157134.7 Ų134.773%0.73477%0.767SS**  cis71.9138.740.3-51.2149.9120.500112.1
3E39.4Very low38.5Very low129 Ų129132.5 Ų132.560%0.60377%0.765SS**  cis-163.4178.4-7.2-118.4-176.4162.200112.1
4K38.4Very low39.3Very low144 Ų144140.1 Ų140.163%0.62678%0.775SS**  trans30.5120.1146-62.6162.7-173.5148.10118.7
5S42.3Very low39.3Very low100 Ų100139.9 Ų139.970%0.69977%0.771SS**  75.5171.652.887.10000115.3
6L36.3Very low39.4Very low148 Ų148138.8 Ų138.878%0.77577%0.773SS**  trans78.8147.3-164-67.767.2000113.3
7T40Very low39.9Very low131 Ų131141 Ų14180%0.80477%0.772SS**  cis-143.5155.810.2-27.80000112.5
8G38.3Very low40.1Very low63 Ų63144.8 Ų144.865%0.64978%0.78SS**  trans-79.1174.4160.600000112.6
9P45.8Very low39.7Very low126 Ų126141.2 Ų141.282%0.81878%0.781SS**  -130.9167.166.119.23.9000113.4
10A31.5Very low39.2Very low89 Ų89137.6 Ų137.674%0.73678%0.777SS**  cis88.9116.626.700000116.3
11M41.1Very low38.9Very low184 Ų184142.6 Ų142.691%0.90678%0.784SS**  trans158.995.4155.2-90.7-159.9-5900108.3
12V35.2Very low38.5Very low132 Ų132136.8 Ų136.880%0.876%0.764SS**  78.8102.567.5179.20000115.2
13S36.9Very low38.3Very low107 Ų107136.2 Ų136.275%0.74877%0.772SS**  164.6148.5129.149.30000110.8
14R49.3Very low38Very low238 Ų238133.6 Ų133.690%0.89878%0.779SS**  cis-149.4157.8-15.3-109.9171.8-176.4-1761108
15L39.3Very low37.7Very low137 Ų137130.5 Ų130.572%0.71779%0.788SS**  trans-78.7170.5179.7-62.983.1000111.7K17L15-K17 HydrophobicContact CD2-CB 4Å; L15-K17 HydrophobicContact CD2-CD 4.22Å; L15-K17 HydrophobicContact CD2-CG 4.05Å
16P41.2Very low37.1Very low123 Ų123129.1 Ų129.180%0.79979%0.79SS**  -115.9143.983.6-8.728.2000115.7F18P16-F18 HydrophobicContact CB-CD2 4.34Å; P16-F18 HydrophobicContact CB-CE2 4.48Å
17K48.1Very low37.1Very low176 Ų176130.3 Ų130.377%0.76580%0.797SS**  trans-107.2125.3159.6-111.4-176.1178.7-179.30106.5L15L15-K17 HydrophobicContact CD2-CB 4Å; L15-K17 HydrophobicContact CD2-CD 4.22Å; L15-K17 HydrophobicContact CD2-CG 4.05Å
18F43.5Very low36.8Very low209 Ų209129 Ų12992%0.91779%0.794SS**  trans-140.2146.7157.9-78.2-72000109.9P16P16-F18 HydrophobicContact CB-CD2 4.34Å; P16-F18 HydrophobicContact CB-CE2 4.48Å
19G32.5Very low37.2Very low77 Ų77131.7 Ų131.779%0.79480%0.799SS**  trans-150.8155.1170.400000109.2
20G29.3Very low36.8Very low69 Ų69131.2 Ų131.271%0.71179%0.794SS**  trans99.6134.8177.200000114.9
21R32.4Very low36.6Very low243 Ų243132 Ų13292%0.91779%0.793SS**  49.7142.1125.9-65.6174.8174.2-102.7-0.1119.4
22S31.3Very low36.2Very low91 Ų91130.7 Ų130.764%0.63679%0.79SS**  cis-176.8-178.8-8.451.70000109.1
23T32Very low36Very low145 Ų145128 Ų12889%0.8979%0.788SS**  trans77.6133.4164.8-43.70000114.3
24G33.6Very low35.5Very low74 Ų74127.7 Ų127.776%0.76379%0.786SS**  cis-168.4-175.6-5.100000109
25G31.2Very low34.5Very low79 Ų79121.5 Ų121.581%0.81478%0.775SS**  cis172.6152.5-2.900000110.2
26G29.8Very low33.9Very low71 Ų71122.9 Ų122.973%0.73278%0.778SS**  trans79.7145.2-17400000113.3
27N35.8Very low33.4Very low172 Ų172122.1 Ų122.192%0.9278%0.775SS**  cis-137.2162.112.8-72.6-30.4000112.6
28S34.1Very low33.1Very low105 Ų105119.4 Ų119.473%0.73478%0.775SS**  trans-88.4168.4171.6-136.10000110.2
29P48Very low32.7Very low118 Ų118116 Ų11677%0.76677%0.772SS**  -143.6139.255.635-13.1000119.3
30V35.7Very low32.5Very low116 Ų116118 Ų11870%0.70377%0.774SS**  69.7103.7127.8-179.10000121.3
31C28.8Very low32.8Very low107 Ų107120.8 Ų120.872%0.72378%0.777SS**  58.8161128.2-53.20000121.6
32N32.3Very low32.7Very low156 Ų156118 Ų11883%0.83477%0.774SS**  cis-122.1164.63.3-64.3-83.4000108.6
33G29.9Very low32.6Very low74 Ų74121.6 Ų121.676%0.76379%0.786SS**  cis86.113238.700000110.8
34S26.6Very low32.5Very low101 Ų101118.3 Ų118.371%0.70678%0.781SS**  cis171.8148.1-21.4172.90000106.1
35T29.1Very low32.4Very low109 Ų109124.7 Ų124.767%0.66979%0.788SS**  trans61109152.741.10000122.9
36Q27.7Very low32.4Very low166 Ų166126.7 Ų126.778%0.77678%0.784SS**  72.6118.9119.6-66.917911.700124
37S30.1Very low32.4Very low107 Ų107131.1 Ų131.175%0.74879%0.791SS**  73.5173.9129.483.50000118.4
38P41.8Very low32Very low118 Ų118127.7 Ų127.777%0.76678%0.781SS**  cis-130.4-178.9-1.842.4-26.5000116
39T34.8Very low32.1Very low138 Ų138131.8 Ų131.885%0.84779%0.788SS**  trans-74142.8172.8-27.20000113
40S27.6Very low31.2Very low119 Ų119129.5 Ų129.583%0.83279%0.785SS**  trans-164.5168.2143.3-158.80000112.2
41V37.4Very low31.1Very low127 Ų127129.1 Ų129.177%0.7778%0.784SS**  trans-122.1149.3-174.5-176.80000110.1
42Q29.3Very low31.2Very low186 Ų186135 Ų13587%0.86979%0.79SS**  trans-156.8164.1155.8-122.2172.435.700114.8
43D30Very low31.3Very low166 Ų166131.6 Ų131.689%0.88878%0.779SS**  trans-66.9170.5-179.4-63.9-91.9000115.3
44G28.7Very low31.4Very low75 Ų75136 Ų13677%0.77379%0.785SS**  trans17333.6171.400000120.4T46G44-T46 PolarHBondContact O-N 3.36Å
45K32.8Very low31.7Very low208 Ų208135 Ų13590%0.90479%0.79SS**  trans-52.8122.4-179.5171.3-169.1175.1-177.80114.9
46T31.1Very low31.9Very low122 Ų122137.7 Ų137.775%0.74880%0.8SS**  trans-148.3148.1146.145.10000114.1G44G44-T46 PolarHBondContact O-N 3.36Å
47N28.1Very low32.1Very low163 Ų163137.9 Ų137.987%0.87280%0.804SS**  trans61.9145.7154.7-62.2-1.2000122
48S28.4Very low32.4Very low100 Ų100143.9 Ų143.970%0.69981%0.811SS**  trans-141.5148.3-169.757.80000111.1
49H36.1Very low31.9Very low192 Ų192144 Ų14489%0.88981%0.811SS**  trans-179.5140.4144.3-87.1-62.4000106.1
50G30Very low31.7Very low69 Ų69141.6 Ų141.671%0.71181%0.806SS**  cis173.5174.6100000108
51T31.9Very low32.3Very low109 Ų109141.8 Ų141.867%0.66980%0.804SS**  cis-166.4113-2.4-73.10000109.5
52R31.8Very low32.7Very low229 Ų229142.1 Ų142.186%0.86481%0.809SS**  trans65.3160.4153.7-61.5167.6101.5-121.87.1117.3
53S35.3Very low32.6Very low86 Ų86143 Ų14360%0.60181%0.805SS**  cis-165.7144.1-20.5470000112.5
54N31.8Very low32.8Very low167 Ų167142.7 Ų142.789%0.89380%0.801SS**  trans15.5132.5147.3-50.9-4.7000120.9
55G32.3Very low33.2Very low78 Ų78148.1 Ų148.180%0.80480%0.803SS**  trans-177.5108.2156.200000114.1
56L33.5Very low33.1Very low167 Ų167150 Ų15087%0.87480%0.804SS**  trans-76151.9169-74.772.4000110.2
57I31.6Very low33Very low169 Ų169153.4 Ų153.487%0.86781%0.809SS**  -171.7145.9120.5-97153.4000111.4
58R35.4Very low33.2Very low234 Ų234152.3 Ų152.388%0.88380%0.797SS**  trans-90.9127.1179.3174.4-168.2-171.2176.56.5110.7
59P33Very low33.1Very low119 Ų119152.6 Ų152.677%0.77379%0.79SS**  trans-84.4156.2171.733.1-33.2000113
60A29.2Very low32.8Very low89 Ų89150.7 Ų150.774%0.73679%0.786SS**  trans-134.1157.3165.400000107.6
61P40.5Very low32.7Very low122 Ų122150.1 Ų150.179%0.79278%0.781SS**  trans-74.1147.4-163.428.8-35.6000113.8
62P45.9Very low32.6Very low134 Ų134153.3 Ų153.387%0.8779%0.79SS**  trans-79.4150.9176.333-34.7000112.7
63Y27Very low32.4Very low204 Ų204149.9 Ų149.980%0.879%0.789SS**  trans-120.8137.1178.4166.1-100.1000110.3
64M34.9Very low32Very low160 Ų160151.4 Ų151.479%0.78880%0.8SS**  trans-61.7145.9177.9-81.4-73.5-174.700112.3
65K36.4Very low31.7Very low190 Ų190149.3 Ų149.383%0.82679%0.793SS**  trans-151.9133.9174.545.5-168.4169-172.80112.6
66W29.9Very low31.2Very low246 Ų246150.7 Ų150.793%0.93279%0.79SS**  trans-102.1150.1-171.6-70.140000112.3
67K29.3Very low31.8Very low195 Ų195148.1 Ų148.185%0.84878%0.784SS**  trans-177.5153.5157.3-99.5-148.9174.6-176.40108.4
68K33.3Very low31.5Very low140 Ų140145.6 Ų145.661%0.60978%0.781SS**  cis-171.6158.1-15.2-168.1-169.3171.9-76.70106.6
69D25Very low30.9Very low105 Ų105144.5 Ų144.556%0.56178%0.777SS**  trans70151.3166.4-61.3-27.6000116.1
70D30.6Very low30.5Very low152 Ų152145.2 Ų145.281%0.81377%0.774SS**  cis-156170.3-3.8-125-36.6000111.4
71G27.5Very low30.3Very low58 Ų58149 Ų14960%0.59878%0.778SS**  trans91.794.214400000123
72M31.2Very low29.8Very low175 Ų175150.2 Ų150.286%0.86278%0.776SS**  52.2100.6127.8-64.6129.170.200124
73N26.1Very low29.5Very low158 Ų158149.2 Ų149.285%0.84577%0.77SS**  27.3115.2119.9-49.19.7000121.9
74S26.7Very low29.4Very low117 Ų117150.3 Ų150.382%0.81877%0.773SS**  trans-174.4147.8134.144.80000109.1
75T26Very low29Very low123 Ų123149.4 Ų149.476%0.75577%0.771SS**  cis1076316.7-50.10000116
76S22.8Very low28.6Very low107 Ų107143.4 Ų143.475%0.74876%0.763SS**  trans66.1-167.3140.964.90000118
77P46.4Very low28.4Very low113 Ų113138.8 Ų138.873%0.73476%0.757SS**  -133.9166.3-79.740.1-24.3000115.9
78S24.3Very low28.6Very low116 Ų116137.5 Ų137.581%0.81175%0.754SS**  trans-172.9146.9146.5-83.50000110
79R23.2Very low28.5Very low212 Ų212138 Ų13880%0.876%0.758SS**  cis98.6135.824.6-160.1-156.7-172.5179.94.7112.6
80L23.6Very low28.9Very low134 Ų134140.6 Ų140.670%0.70276%0.764SS**  trans77.7140.2171.6-58.6-170.9000115.6
81M25.1Very low28.9Very low167 Ų167136.7 Ų136.782%0.82375%0.754SS**  cis-143.9167.1-4.7-71.1-148.371.100112.2
82I31.5Very low29.1Very low149 Ų149141.7 Ų141.776%0.76476%0.761SS**  trans-95.1148.6153.5-24175.6000107.8
83P38.8Very low29Very low113 Ų113141.5 Ų141.573%0.73476%0.758SS**  -153.7149.6101.138.7-20.7000117.3
84W25.3Very low29Very low227 Ų227141.6 Ų141.686%0.8675%0.753SS**  52.1127.4122-148.5-90000120.1
85D26.1Very low29.2Very low140 Ų140141.4 Ų141.475%0.74975%0.746SS**  -179.8174.879.3-152.5-14000113
86G27.8Very low30Very low64 Ų64140.5 Ų140.566%0.6674%0.742SS**  trans81.3114.3164.200000116.2
87N25.6Very low30.2Very low149 Ų149140.8 Ų140.880%0.79775%0.745SS**  cis74.710218.6-176.874000118.4
88E33.1Very low29.7Very low168 Ų168142.9 Ų142.979%0.78575%0.749SS**  -176.8126.4123.254.4-164.4158.500110.9
89E32.8Very low30.5Very low150 Ų150142.8 Ų142.870%0.70175%0.745SS**  90.8137.3100.8-165.8179.9105.100113.8
90K31.6Very low30.7Very low160 Ų160141.5 Ų141.570%0.69675%0.749SS**  cis-140.2142.13.1-123.2150.6-161.2147.80108.6
91A32.1Very low31.1Very low71 Ų71140.6 Ų140.659%0.58775%0.748SS**  54.3141.499.200000117.2
92H31.3Very low31.3Very low163 Ų163141.3 Ų141.376%0.75575%0.747SS**  cis-165.6-172.3-11.3-90.8-29.9000106.3
93H29.9Very low31.1Very low170 Ų170138.5 Ų138.579%0.78774%0.74SS**  cis-150.8152.619.2-80.5-87.6000112.8
94H25.9Very low30.4Very low160 Ų160138.2 Ų138.274%0.74174%0.741SS**  trans31.2123.2137.5-130-92.8000121.9
95V29.9Very low30.6Very low113 Ų113132.7 Ų132.769%0.68574%0.737SS**  cis85.3138.639.3169.40000113.7
96P43.1Very low30.8Very low104 Ų104135.5 Ų135.568%0.67575%0.746SS**  cis-147.4175.9-24.341.3-22.1000118
97S27.9Very low30.9Very low114 Ų114138 Ų13880%0.79775%0.753SS**  trans-169.8130.1134.948.90000109.4
98L33.9Very low31.4Very low157 Ų157137 Ų13782%0.82275%0.752SS**  86.4142.153.3-81.3175.8000113.9
99P42.5Very low31.6Very low113 Ų113134.9 Ų134.973%0.73475%0.753SS**  -132-151.9-104.545.6-31.1000113.8
100E27.8Very low31.4Very low186 Ų186137.4 Ų137.487%0.86976%0.762SS**  trans114.2142.3165.7-162.5163.5-134.600114.2
101V31.3Very low31.3Very low115 Ų115139.1 Ų139.170%0.69778%0.775SS**  176.6146.8-57.9148.90000106.8
102K28.6Very low31.2Very low182 Ų182147.6 Ų147.679%0.79179%0.792SS**  trans73.492164.5-86.6179.4171.8176.60122
103S27.6Very low31.3Very low89 Ų89151.6 Ų151.662%0.62280%0.8SS**  66.3134.3101.771.40000123.4
104S24.5Very low31.4Very low107 Ų107149.2 Ų149.275%0.74880%0.803SS**  trans71.8147.4141.279.10000117.5
105S29.1Very low31.7Very low112 Ų112144.8 Ų144.878%0.78380%0.8SS**  cis-150.3160.625.5-60.70000113
106Q30.1Very low31.7Very low199 Ų199144.8 Ų144.893%0.9380%0.801SS**  trans-97136.8171.9-161.8176.628.200109.8
107S29.8Very low31.3Very low115 Ų115147.5 Ų147.580%0.80481%0.809SS**  trans-131.1136.5179.464.30000112.3
108T36.9Very low31.6Very low129 Ų129150.1 Ų150.179%0.79181%0.81SS**PPolyproline II helixtrans-103.3144.1-174.252.90000112.5
109P36.2Very low31.7Very low124 Ų124148.8 Ų148.881%0.80581%0.808SS**PPolyproline II helixtrans-101.5138.4160.634.4-28000111.4
110K30Very low31Very low203 Ų203148.4 Ų148.488%0.88381%0.814SS**PPolyproline II helixtrans-87.1125.3175-66171.8-179.1172.60110.1
111M28Very low31.3Very low196 Ų196145.7 Ų145.797%0.96681%0.811SS**PPolyproline II helixtrans-68.6138.4169.5-70.5178.670.700111
112R30.9Very low31.2Very low248 Ų248145.8 Ų145.894%0.93682%0.817SS**  trans-114.1137.7173.4-161.3179.9-171.6-151.81.6109.6
113R34Very low31.2Very low248 Ų248142.5 Ų142.594%0.93682%0.817SS**  trans-89.4115.5-168.9-167.3-177.5-167.8179.54.7112.2
114S31.7Very low31.6Very low120 Ų120144.4 Ų144.484%0.83983%0.827SS**  trans-135150.4158.7-61.40000106.1
115G31.9Very low31.9Very low67 Ų67148.9 Ų148.969%0.69183%0.833SS**  cis150.447.27.600000108.9L117G115-L117 PolarHBondContact O-N 2.04Å
116T29.6Very low31.9Very low113 Ų113150.3 Ų150.369%0.69384%0.837SS**  trans-77.7117.7-157.1-47.30000112.7M118T116-M118 HydrophobicContact CG2-CE 4.21Å; T116-M118 HydrophobicContact CG2-SD 4.09Å
117L34Very low32.1Very low161 Ų161147 Ų14784%0.84383%0.83SS**  trans-76.9120.2162.5-67.8168.5000108.6G115G115-L117 PolarHBondContact O-N 2.04Å
118M34.9Very low32.2Very low169 Ų169147.6 Ų147.683%0.83383%0.831SS**  trans-88.5109.7176-67.5-63.9-170.600110T116T116-M118 HydrophobicContact CG2-CE 4.21Å; T116-M118 HydrophobicContact CG2-SD 4.09Å
119V36Very low32Very low129 Ų129151.5 Ų151.578%0.78284%0.837SS**  trans-96.9120.3164.6175.80000107.7
120A27.8Very low31.7Very low104 Ų104154.4 Ų154.486%0.8684%0.84SS**  trans-85.1113.2178.100000110.7
121T33.4Very low31.7Very low130 Ų130153 Ų15380%0.79884%0.841SS**PPolyproline II helixtrans-96.7136.1166.751.90000110.1
122S28.9Very low31.8Very low117 Ų117149.2 Ų149.282%0.81883%0.829SS**PPolyproline II helixtrans-70.2153-173.543.80000114
123S30.5Very low31.7Very low113 Ų113146.8 Ų146.879%0.7983%0.825SS**PPolyproline II helixtrans-70.4132.1178-41.90000111.9
124P35.7Very low31.7Very low128 Ų128142.8 Ų142.883%0.83182%0.821SS**PPolyproline II helixtrans-73.2132.8166.930.3-32.5000110.1
125K30.4Very low31.5Very low202 Ų202144.1 Ų144.188%0.87882%0.818SS**PPolyproline II helixtrans-88.4140.6171.1-97.6178.1175.5173.40110.9
126T29.9Very low31.7Very low142 Ų142146.5 Ų146.587%0.87182%0.822SS**PPolyproline II helixtrans-71.5143175.843.50000111.9
127V32.7Very low31.7Very low129 Ų129150.5 Ų150.578%0.78283%0.83SS**  trans-132133.7171.4177.30000106.5
128P32.1Very low31.5Very low127 Ų127149.1 Ų149.183%0.82583%0.828SS**PPolyproline II helixtrans-79.1141.9-161.530.4-35.9000113.4
129K32.6Very low31.3Very low212 Ų212147.2 Ų147.292%0.92283%0.826SS**PPolyproline II helixtrans-102.9133.6161.8-72.7-174.5175.4-178.10109.3
130Q30.8Very low30.9Very low185 Ų185150 Ų15086%0.86483%0.827SS**PPolyproline II helixtrans-74.2141.2176.5-67.5174.5-20.800110.5
131L29.4Very low30.8Very low172 Ų172152 Ų15290%0.90183%0.829SS**  trans-107.194.6170.817965.7000109
132T31.4Very low30.5Very low117 Ų117149.4 Ų149.472%0.71883%0.828SS**  trans-96.2108.3177.6-43.30000109.7I134T132-I134 PolarHBondContact O-N 3.07Å
133K28.7Very low30.6Very low198 Ų198153.1 Ų153.186%0.86183%0.832SS**  trans-78106.5-172.2-165176-173.7178.70110.9
134I33.3Very low30.3Very low163 Ų163152.4 Ų152.484%0.83683%0.827SS**  trans-77.3146.5170.857.9172.6000110.9T132T132-I134 PolarHBondContact O-N 3.07Å
135N27.8Very low30Very low148 Ų148154.4 Ų154.479%0.79183%0.825SS**  trans-132.7119.1-176.4-167.8-8.3000108.9K137N135-K137 PolarHBondContact O-N 2.81Å
136P35.7Very low30Very low118 Ų118151.1 Ų151.177%0.76682%0.817SS**  trans-75.5119.1-169.228.9-34.9000112.3
137K28.9Very low29.9Very low196 Ų196151.6 Ų151.685%0.85281%0.814SS**  trans-96.7102.8-179.9-163.7167.7-172.7173.10112.1N135N135-K137 PolarHBondContact O-N 2.81Å
138V30.2Very low29.7Very low132 Ų132149 Ų14980%0.881%0.813SS**  trans-57.7137.8171.7177.80000110.6
139T30.1Very low29.7Very low130 Ų130151 Ų15180%0.79882%0.815SS**  trans-131.1136170.6-58.50000109
140K28.6Very low29.6Very low187 Ų187145.2 Ų145.281%0.81380%0.802SS**  trans-149.4136.4176.9-122.2-178.7-176.9178.10111.9
141V26.8Very low29.5Very low147 Ų147145.5 Ų145.589%0.89180%0.8SS**  trans66.9120.7163-173.80000116.9
142G26.6Very low29.4Very low75 Ų75143.3 Ų143.377%0.77379%0.794SS**  trans175.988.2172.700000113.1
143Q31.4Very low29.1Very low195 Ų195142.2 Ų142.291%0.91179%0.787SS**  trans-30.9156.1168.3-64.2166.5-1500115.1
144S24.3Very low29.1Very low98 Ų98142.7 Ų142.769%0.68579%0.785SS**  cis162.7166-1.1178.70000105.3
145Q27.6Very low28.8Very low169 Ų169139 Ų13979%0.7977%0.774SS**  trans70.7144.9172.7-57.1-17273.400115.4
146L31.6Very low28.9Very low134 Ų134138.5 Ų138.570%0.70278%0.776SS**  cis-156.21751.5-120.8168.1000111.4
147N28.5Very low28.6Very low152 Ų152139.1 Ų139.181%0.81378%0.783SS**  trans-54.8163.9173.9-42.1-30.4000113.5
148G27.9Very low28.7Very low73 Ų73133.2 Ų133.275%0.75378%0.778SS**  cis150.3152.1-3.600000113.6
149L31.1Very low28.8Very low169 Ų169135 Ų13589%0.88578%0.781SS**  trans72.9119.9158.1-141.476.4000123
150S30.7Very low29.5Very low91 Ų91134 Ų13464%0.63678%0.777SS**  trans76.5124.4138.458.30000125.9
151K28.8Very low29.4Very low192 Ų192129.7 Ų129.784%0.83578%0.776SS**  trans70.1133133.2-66.4178-179.4178.60119.6
152V27.8Very low29.6Very low126 Ų126133.1 Ų133.176%0.76477%0.773SS**  71116.654.2169.20000109.8
153T25Very low29.8Very low94 Ų94135.4 Ų135.458%0.57777%0.773SS**  cis-169.8175.630.7-7.30000113.5
154Y29.6Very low29.5Very low208 Ų208129.5 Ų129.582%0.81676%0.764SS**  trans66.8162.9148.5-63.6-36.4000119.1
155S27Very low29.7Very low86 Ų86130.1 Ų130.160%0.60177%0.768SS**  cis-167.1156.8-23-96.90000113.4
156T28.7Very low30Very low136 Ų136130.7 Ų130.783%0.83477%0.771SS**  trans49.7118.2146.657.50000123.6
157S30.3Very low29.8Very low131 Ų131128.8 Ų128.892%0.91677%0.769SS**  trans-159.7157.6130.761.60000109
158G29.9Very low29.9Very low73 Ų73131.8 Ų131.875%0.75377%0.769SS**  cis-165.8153.1-600000110.7
159I33.5Very low30.1Very low169 Ų169135.3 Ų135.387%0.86777%0.769SS**  trans-155.4159.6-159.7-93.2172.7000108.5
160P44.3Very low29.9Very low108 Ų108133 Ų13370%0.70176%0.762SS**  cis-134.516813.442-25.8000118.6
161A26.7Very low30.3Very low97 Ų97139.7 Ų139.780%0.80277%0.773SS**  trans59.6159.114200000121.3
162R30Very low30.6Very low219 Ų219135.3 Ų135.383%0.82676%0.764SS**  cis-159.7151.515.2-156-174.4170-166.9-5.1114.3
163T30.4Very low30.7Very low124 Ų124136.7 Ų136.776%0.76176%0.764SS**  trans69.3114.2151.826.20000122.9
164G26.3Very low30.8Very low70 Ų70140 Ų14072%0.72278%0.778SS**  trans110.5135141.800000116.5
165S28.8Very low30.5Very low112 Ų112133.3 Ų133.378%0.78377%0.772SS**  cis-159.2164.8-7.5-75.80000111
166E32.8Very low30.6Very low181 Ų181136.5 Ų136.585%0.84679%0.788SS**  trans68.6141.4167.2-48.8-168.1-171.500117.3
167S27.2Very low30.5Very low94 Ų94135.2 Ų135.266%0.65778%0.784SS**  cis-151137.1-14.9-1080000107.4
168R30.1Very low30.4Very low215 Ų215134.2 Ų134.281%0.81178%0.777SS**  59.5138.961.3-61-178.7-177.5-108.74.6112.9
169L32.8Very low30.6Very low146 Ų146135.7 Ų135.776%0.76477%0.774SS**  cis-157.5-175.9-13.6-104.7171.2000105.3
170V27.9Very low30.4Very low120 Ų120138.6 Ų138.673%0.72777%0.774SS**  cis-153.3-176.416.573.70000109.9
171R37.9Very low29.5Very low232 Ų232138.3 Ų138.388%0.87577%0.774SS**  trans-132.4129.2166.7177.4-151.9-72.1163-7.6108.3
172P36.4Very low29.3Very low100 Ų100139.8 Ų139.865%0.64977%0.769SS**  trans-156.5139.4130.236.7-17000118.2
173M29.2Very low29.1Very low155 Ų155138.1 Ų138.176%0.76477%0.768SS**  56.3148.1124.6-61.7-107.358.300125
174L26.2Very low29Very low165 Ų165140.5 Ų140.586%0.86477%0.77SS**  trans72148.9140.9-90.7157.1000119.9
175G24.5Very low29.1Very low66 Ų66144.9 Ų144.968%0.6878%0.777SS**  trans121.791.215200000116.2
176T28.8Very low29Very low153 Ų153144.6 Ų144.694%0.93978%0.775SS**  trans-68.1126.215346.90000109.7
177S26.2Very low28.8Very low109 Ų109143.8 Ų143.876%0.76278%0.776SS**  trans-153.8106.8162.248.50000112.7
178S28.6Very low28.8Very low110 Ų110144 Ų14477%0.76978%0.777SS**  trans-64.8153.2152.8-179.90000109.1R180S178-R180 PolarHBondContact OG-N 3.06Å
179P33Very low28.5Very low105 Ų105142 Ų14268%0.68278%0.777SS**  -137.912911834.9-24000114.2
180R30.1Very low28Very low230 Ų230140.2 Ų140.287%0.86878%0.777SS**  trans58.9138.7134.1-61.3174.7176.4176.7-3118.9S178S178-R180 PolarHBondContact OG-N 3.06Å
181S24.9Very low27.9Very low101 Ų101144.5 Ų144.571%0.70678%0.78SS**  cis-170.3132.5-5.544.80000111.7
182N23.1Very low27.4Very low128 Ų128139.7 Ų139.768%0.68477%0.768SS**  trans27.5128.5130.5-75.313.3000121.8
183F25Very low27.1Very low184 Ų184139.6 Ų139.681%0.80776%0.762SS**  trans63.5149.6150-53.4-55.5000117.6
184Q28.9Very low27.1Very low174 Ų174141.5 Ų141.581%0.81376%0.76SS**  cis-140159.324.5-66.3178.9-60.300114.3
185D27.8Very low27.3Very low163 Ų163142.8 Ų142.887%0.87276%0.759SS**  trans-62.4147.2149.4-105.1-50.4000111.1
186S27.2Very low27.6Very low105 Ų105146.2 Ų146.273%0.73476%0.76SS**  trans-154.1113.4165.9-81.40000112.5
187L30.1Very low28Very low164 Ų164146 Ų14686%0.85975%0.752SS**  trans-73.4159.3164.7-66.3170.7000110.7
188S25.6Very low28.2Very low99 Ų99146.8 Ų146.869%0.69275%0.753SS**  trans85.9120.1157.5-58.50000120.5
189Q24Very low28.7Very low172 Ų172149.6 Ų149.680%0.80476%0.758SS**  trans75.391.4132.5-64.8179.76100120.9
190S22.8Very low28.6Very low109 Ų109149 Ų14976%0.76275%0.75SS**  95.3165.3116.3840000120.4
191R25.9Very low28.9Very low210 Ų210145.8 Ų145.879%0.79274%0.744SS**  trans86.7101.3162.1-123.1148.4-167-167.70.4116.5
192E28.2Very low29.7Very low132 Ų132148.9 Ų148.962%0.61775%0.749SS**  83.8135.664.1175.9174.7-141.900111.4
193N29.3Very low30.1Very low98 Ų98149.1 Ų149.152%0.52476%0.755SS.*  cis-157.8176.112.8-143.2-36.9000113.6
194R29.6Very low30.5Very low194 Ų194151.5 Ų151.573%0.73276%0.759SS**  trans68129.8154.2-68.5143.1-151.7-148.51116.2
195K30.4Very low30.6Very low193 Ų193148.2 Ų148.284%0.83976%0.755SS**  cis-129.9121.841-65.8169.5-176.7171.10110.8
196I29.8Very low30.6Very low138 Ų138147.3 Ų147.371%0.70875%0.75SS**  94140.483.6-75.9164000112.7
197L37.8Very low30.8Very low148 Ų148147 Ų14778%0.77575%0.748SS**  trans86.480.1-168.9-59.2168.2000113.8
198T31.3Very low31.1Very low126 Ų126147.6 Ų147.677%0.77374%0.744SS**  58.8126.686.1660000113.8
199L37.1Very low31.7Very low168 Ų168147 Ų14788%0.8874%0.736SS**  cis-130.4132.928.5-176.165.1000113
200D31.1Very low32.1Very low94 Ų94146.6 Ų146.650%0.50373%0.734SS.*  trans-112164.2170.4165.652000108.9
201H36.5Very low32.6Very low162 Ų162149.1 Ų149.175%0.7573%0.732SS**  177.2115.7123.5-83.4-25.6000113.6
202M42.5Very low33.1Very low166 Ų166147 Ų14782%0.81873%0.728SS**  trans-64.9136.5162.5-66.8171.2-79.900111.8
203V32.2Very low33.4Very low133 Ų133149.2 Ų149.281%0.80674%0.738SS**  trans-137.3133.2165.11730000110.2
204R32.4Very low33.8Very low234 Ų234151.3 Ų151.388%0.88375%0.748SS**  trans-80.7169.1168.6-78.5169.5128.9160.1-4.2110.4
205S31.6Very low34.3Very low105 Ų105147.5 Ų147.573%0.73475%0.748SS**  trans73.7137.9177.571.90000114.7
206N27.2Very low34.7Very low144 Ų144144 Ų14477%0.7775%0.748SS**  cis77.4111.941.6-75.9-10.4000115.1
207S31.5Very low35.5Very low97 Ų97143.4 Ų143.468%0.67875%0.753SS**  trans72.8157.6151.5-51.30000115.4
208F35.5Very low35.2Very low177 Ų177142.9 Ų142.978%0.77675%0.751SS**  cis-132.2126.431-99.6-117.2000112.1
209T38.8Very low35.3Very low88 Ų88142.9 Ų142.954%0.5476%0.755SS.*  72.815093.670.20000115.3
210H33.5Very low35.2Very low162 Ų162142.8 Ų142.875%0.7575%0.75SS**  cis-129169.826.8-63.1-91.1000112.3
211F32.2Very low35.6Very low163 Ų163143.5 Ų143.572%0.71576%0.76SS**SBendcis-161.4137.933.6-170.5-123.8000113
212K36.8Very low35.4Very low166 Ų166144.7 Ų144.772%0.72277%0.768SS**  trans56.798.7165.7-65.1-178.1176.4176.30118.4
213Q34.5Very low35Very low178 Ų178142.5 Ų142.583%0.83276%0.764SS**  52.9132.569.3-121.3-170.4-4.800113.4
214I36.6Very low35.4Very low142 Ų142147.3 Ų147.373%0.72877%0.768SS**  cis-158.7-17514.7-5171.6000108
215P41.5Very low35.5Very low113 Ų113141.7 Ų141.773%0.73476%0.764SS**  cis-123.8170.4-43.533.7-17000113.8
216S37.8Very low35.8Very low120 Ų120146.1 Ų146.184%0.83977%0.771SS**  trans-111.4161161.5-44.50000110.9
217P46.9Very low36.2Very low125 Ų125144.8 Ų144.881%0.81277%0.773SS**  trans-134.8143.8149.636.8-24.2000115.5
218N31.3Very low36.4Very low137 Ų137148.8 Ų148.873%0.73378%0.778SS**  trans70129.1162.8-154.220.7000120.2
219C33.9Very low36.5Very low127 Ų127148.7 Ų148.786%0.85879%0.786SS**  trans-122.3129159.5-72.50000107.8
220E34.8Very low36.5Very low166 Ų166156 Ų15678%0.77680%0.804SS**  trans-118.5147160.3-81.3-165119.800110.5
221P39.4Very low36.8Very low108 Ų108152.3 Ų152.370%0.70180%0.801SS**  trans-73.9145.6178.431.3-34.8000111.5T223P221-T223 PolarHBondContact O-N 2.93Å
222M31.8Very low37.4Very low187 Ų187152.3 Ų152.392%0.92181%0.814SS**  trans-61.3108.6173.9-172.876.777.500110.1
223T34.4Very low37.4Very low120 Ų120152.3 Ų152.374%0.73682%0.816SS**  trans-73.1142.4178.738.50000111.6P221 S225P221-T223 PolarHBondContact O-N 2.93Å; T223-S225 PolarHBondContact O-N 2.9Å
224R40.4Very low37.9Very low235 Ų235152 Ų15289%0.88782%0.819SS**  trans-62.6128.8163.6-87.5-180164.6-116.82.4108.4F226R224-F226 PolarHBondContact O-N 2.57Å
225S33.9Very low37.8Very low116 Ų116150 Ų15081%0.81182%0.824SS**  trans-66.7112.6-179.152.80000111.8T223T223-S225 PolarHBondContact O-N 2.9Å
226F38.4Very low37.4Very low197 Ų197154 Ų15486%0.86483%0.83SS**  trans-71.4124161.6-73.7-98.5000109.4R224R224-F226 PolarHBondContact O-N 2.57Å
227S35.6Very low37.6Very low116 Ų116154.5 Ų154.581%0.81183%0.831SS**  trans-105.3106.9164.358.70000109.5
228F37.1Very low37Very low181 Ų181157.2 Ų157.279%0.79484%0.837SS**  trans-64.4134.3173.5-90.5-107.1000110.7
229N35.8Very low37.1Very low175 Ų175154.6 Ų154.694%0.93684%0.835SS**  trans-161.379.4150.3-97.4-34.6000110.1
230R39.3Very low37.1Very low243 Ų243155 Ų15592%0.91783%0.828SS**  trans-134.2154.7162.2-160.5-177.7-167.3-137.94.7107.7
231A41.1Very low37.1Very low84 Ų84154.3 Ų154.369%0.69484%0.835SS**  trans69.894.4-175.700000115.2E233A231-E233 PolarHBondContact O-N 3.46Å
232V43.2Very low36.9Very low162 Ų162157 Ų15798%0.98284%0.839SS**  trans-78.4101.5142.1172.20000105.9
233E38.6Very low37.1Very low167 Ų167156.9 Ų156.978%0.7884%0.841SS**  trans-138.6146.1168.3-164.1164.9-169.200112.1A231A231-E233 PolarHBondContact O-N 3.46Å
234L43.7Very low37Very low170 Ų170161.4 Ų161.489%0.8984%0.844SS**  trans-54.5126.4-166.2-57.7163.1000114.8
235A35.1Very low36.9Very low100 Ų100155.2 Ų155.283%0.82683%0.834SS**  trans-143.7132.4159.600000112.6
236K33.8Very low37.1Very low198 Ų198156 Ų15686%0.86184%0.837SS**  trans-86.7152.4166.5-66.7169.8-177.4170.30108.9
237P40.2Very low36.9Very low131 Ų131157.3 Ų157.385%0.85184%0.836SS**  trans-69.6138.5179.829.1-35000112
238L35.4Very low36.6Very low182 Ų182157.3 Ų157.395%0.95384%0.836SS**  trans-128.7155.4164.6-148.775.7000109.5
239A33.8Very low36.1Very low82 Ų82153.3 Ų153.368%0.67883%0.83SS**  trans-112.1168.5-158.300000114.9
240N32.8Very low35.9Very low135 Ų135154.2 Ų154.272%0.72283%0.826SS**  trans59.9110.1158.5-87.1-65.1000118.9
241T35.6Very low35.6Very low151 Ų151150.3 Ų150.393%0.92682%0.823SS**  -136.4154.912341.30000109.7
242Q34.5Very low35.1Very low166 Ų166155.7 Ų155.778%0.77683%0.831SS**  trans-113.4134.1-174.7-55.8172.729.300110.9
243L36.8Very low35.1Very low183 Ų183153.4 Ų153.496%0.95882%0.819SS**  trans-140.1160.8149.5-78.4-175.2000110.4
244R32.4Very low35.3Very low216 Ų216150.9 Ų150.982%0.81582%0.817SS**  trans-117.9132.3-151.3170.4-173.6-75.2145-5112.9
245P37Very low34.7Very low104 Ų104154 Ų15468%0.67582%0.817SS**PPolyproline II helixtrans-69.7150.4168.5-18.232000113.3
246P39.8Very low34.6Very low134 Ų134157.5 Ų157.587%0.8782%0.82SS**PPolyproline II helixtrans-70.2155.6178.629.9-35.2000113
247R33.5Very low34.2Very low224 Ų224152.4 Ų152.485%0.84581%0.81SS**PPolyproline II helixtrans-101.9138.2-179.9-77.1176.9153.8129.5-7.4112.3
248S28.6Very low33.7Very low116 Ų116153.7 Ų153.781%0.81181%0.809SS**  trans-149.1140.4131.863.30000109
249S27.2Very low33.3Very low96 Ų96148.2 Ų148.267%0.67180%0.797SS**  trans-164.3115-178.362.30000112.8
250F30.6Very low33.2Very low194 Ų194155.4 Ų155.485%0.85181%0.807SS**  trans-145.4133.8167.8-58.5-75.8000105.3
251L34.1Very low33.2Very low161 Ų161155.5 Ų155.584%0.84381%0.807SS**  cis-136.9172.814-66.5167000112.6
252K29.6Very low32.7Very low197 Ų197153.6 Ų153.686%0.85780%0.798SS**  trans-152173.8168.6-93.1173.5179.4169.70106.1
253P45.1Very low32.7Very low114 Ų114154.3 Ų154.374%0.7481%0.806SS**  cis-126.4-138.810.244.4-24.7000109.2
254P41.9Very low32.3Very low115 Ų115148.5 Ų148.575%0.74779%0.791SS**  cis-117.6172.3-20.240.7-25.1000113.5
255R31.2Very low32.5Very low235 Ų235146 Ų14689%0.88779%0.793SS**  cis80.998.221.1-93.7-165176.6-168.4-0.8118.5
256I32.2Very low32.4Very low174 Ų174146.3 Ų146.389%0.89279%0.793SS**  trans-129.4170.8147.353.6170.8000108.7
257S26.1Very low31.8Very low91 Ų91145.6 Ų145.664%0.63679%0.791SS**  trans-160.4-175.6-172.764.20000113.8
258N29Very low32Very low157 Ų157142.1 Ų142.184%0.8479%0.79SS**  trans82139.5170.5-34.6-41.7000114.5
259G28.1Very low32.3Very low68 Ų68145.2 Ų145.270%0.70180%0.796SS**  cis125.2136-8.500000114.5
260R31.1Very low32.6Very low232 Ų232144 Ų14488%0.87580%0.799SS**  trans-179.3136.9162.1-103.9163.3-167.6-101.41.5114.9
261L32.6Very low32.7Very low138 Ų138142.3 Ų142.372%0.72380%0.799SS**  trans44.8139140.2-51.2170.1000121.3
262C25.6Very low32.6Very low111 Ų111140 Ų14075%0.7580%0.796SS**  cis103118.917.9-68.70000116.5
263L33.7Very low32.6Very low180 Ų180133.4 Ų133.494%0.94278%0.784SS**  trans142.7147.6161.3-83.7161.2000110.1
264G29.4Very low32Very low62 Ų62137.4 Ų137.464%0.63979%0.79SS**  cis159.3154-11.300000113.9
265L37.1Very low31.5Very low162 Ų162138.4 Ų138.485%0.84879%0.785SS**  trans77.7148.2165.8-45.1-177.8000118.2
266T33.5Very low31.3Very low111 Ų111136.8 Ų136.868%0.68178%0.78SS**  cis-168.1143.6-1321.20000112.7
267S28.5Very low31.1Very low120 Ų120134.3 Ų134.384%0.83978%0.778SS**  -173.8153.3129.658.50000111.1
268N37.6Very low31.3Very low151 Ų151139.4 Ų139.481%0.80779%0.789SS**  trans-136.1145.8-161-58.1-23.4000115.2
269L33.9Very low31.3Very low181 Ų181136.9 Ų136.995%0.94878%0.783SS**  trans-174.3135.9140.7-145.363000106.1
270G33.1Very low31.4Very low71 Ų71141.5 Ų141.573%0.73279%0.791SS**  cis122.3126.519.700000107.9
271D33.3Very low32.3Very low158 Ų158135.5 Ų135.585%0.84578%0.782SS**  cis-161.9168.41.8-171.619.9000111.7
272S32.3Very low32.5Very low113 Ų113134.5 Ų134.579%0.7978%0.782SS**  trans68.3141.6170.576.50000119.9
273G29.9Very low32.9Very low58 Ų58135.8 Ų135.860%0.59878%0.781SS**  cis173129.7-14.500000115.3
274F32.7Very low32.9Very low198 Ų198132 Ų13287%0.86877%0.77SS**  trans58.1146.2159.8-46.9-83.1000120.3
275Q31Very low33.2Very low136 Ų136135.1 Ų135.164%0.63678%0.782SS**  cis-163.2172.7-26.3-89.2-167.6107.800105.7
276Y25.8Very low33.2Very low201 Ų201135.3 Ų135.379%0.78878%0.783SS**  cis-144.8157.79.9-73.2-89000109.8
277S28.8Very low33.8Very low122 Ų122136 Ų13685%0.85379%0.789SS**  trans-158.2159.9153.661.80000111.3
278K29.8Very low33.9Very low198 Ų198137.8 Ų137.886%0.86179%0.789SS**  trans-115.5120.1-177.6-82.1-175.6174.2177.80112.6
279S29Very low34.6Very low104 Ų104135.6 Ų135.673%0.72778%0.784SS**  trans35.2119.5147.556.40000119.6
280L31.6Very low34.4Very low165 Ų165132.8 Ų132.886%0.86478%0.779SS**  cis66.4155.439.4-145.895.2000112.5
281P50.2Low34.2Very low105 Ų105140.3 Ų140.368%0.68279%0.787SS**  cis-119.4-156.6-7.532.2-7.6000112.2
282T36.2Very low34.6Very low118 Ų118138.6 Ų138.672%0.72478%0.784SS**  cis-147.4-142.29-19.50000109.9
283D33.5Very low34.4Very low137 Ų137138 Ų13873%0.73379%0.786SS**  cis-1621787.6-137-60.2000114.1
284S33.8Very low34.4Very low100 Ų100143 Ų14370%0.69980%0.798SS**  trans97.3110.5155.777.30000122
285S35.6Very low35Very low128 Ų128138.8 Ų138.890%0.89579%0.791SS**  trans166.8-179.514146.90000112.6
286L37.9Very low34.9Very low166 Ų166138.3 Ų138.387%0.86980%0.798SS**  trans-136.7159.1-159.7-90166.6000115.6
287P44.8Very low35Very low126 Ų126134.8 Ų134.882%0.81880%0.797SS**  trans-131.7-177.5156.732.7-14000116.3
288N31.6Very low35.6Very low157 Ų157133.7 Ų133.784%0.8479%0.787SS**  trans-141.3-163.1-166.4-147.816.6000110.5
289P51.9Low35.5Very low106 Ų106133.7 Ų133.769%0.68879%0.79SS**  cis-139.1176.9-11.844.5-26.8000117.5
290S29.4Very low35.4Very low121 Ų121131.9 Ų131.985%0.84679%0.788SS**  trans-164.5162.6157.653.50000116.5
291Y28.4Very low35.4Very low230 Ų230131.7 Ų131.790%0.90279%0.787SS**  trans-113179.6-177.5-85.6-81.6000112.1
292P42.8Very low34.6Very low121 Ų121137.7 Ų137.779%0.78680%0.796SS**  cis-138.8-165.112.545-25.9000117.4
293A27.8Very low34.6Very low100 Ų100141.5 Ų141.583%0.82680%0.803SS**  trans104.2160.4161.600000119.6
294L30Very low34.8Very low163 Ų163140 Ų14085%0.85380%0.801SS**  trans-142.4174.9-161.5-144.481.3000108.6
295P44.7Very low34.5Very low110 Ų110143.4 Ų143.471%0.71481%0.805SS**  cis-108.2-141.8-22.2179.4000110.5
296T28.8Very low34.3Very low127 Ų127144.9 Ų144.978%0.77980%0.802SS**  cis-149.1165.811.751.90000114.5
297T27.6Very low34.4Very low127 Ų127141.5 Ų141.578%0.77979%0.79SS**  trans-77-177.7162.830.80000113.8
298P42.9Very low33.6Very low99 Ų99142.8 Ų142.864%0.64379%0.79SS**  cis-138.4-168.5-24.736.7-16.7000114.6
299Q27.5Very low33.3Very low197 Ų197140.6 Ų140.692%0.92179%0.787SS**  trans66.5149.7159.3-65.1177.917.400117.8
300G27.3Very low32.1Very low67 Ų67139.2 Ų139.269%0.69179%0.785SS**  cis171.5-173.2-6.900000112.8
301L31.6Very low32.1Very low161 Ų161141 Ų14184%0.84378%0.784SS**  trans75.9125.6162.6-65.2176.7000121.5
302R32.1Very low32.3Very low230 Ų230137 Ų13787%0.86878%0.784SS**  trans81112.5147.7-57.6-79.4174.8171.9-1.2121.2
303K36.6Very low31.7Very low199 Ų199140.3 Ų140.387%0.86579%0.786SS**  trans-36.6158.8146.5-70.5178.8178.6-178.30113.8
304P38.2Very low31.6Very low106 Ų106140.7 Ų140.769%0.68878%0.783SS**  cis-152.5-179.14544.3-23.9000120.3
305Q27.8Very low31.6Very low170 Ų170140.3 Ų140.379%0.79478%0.781SS**  trans62.5114.8158.1-73.8161.8-13.300118.6
306L30.4Very low30.9Very low160 Ų160140.5 Ų140.584%0.83878%0.78SS**  58.3145.476.4-71.5-176.8000115.3
307P41.1Very low30.8Very low95 Ų95141.8 Ų141.862%0.61778%0.782SS**  cis-135.5-162.8-9.438.4-18.2000113.9
308N26.9Very low31Very low153 Ų153140.8 Ų140.882%0.81878%0.78SS**  trans73150.9156.9-68.8-7000118.1
309S25.3Very low30.4Very low110 Ų110142.8 Ų142.877%0.76979%0.79SS**  cis-163.8168.9-14.4-179.30000110.5
310A27.3Very low30.5Very low77 Ų77137 Ų13764%0.63678%0.784SS**  trans72.5115.8153.500000121.7
311L28.5Very low30.6Very low158 Ų158139.5 Ų139.583%0.82779%0.79SS**  49.6116.6122.9-58.2168.2000120.2
312T33Very low30.5Very low148 Ų148137.5 Ų137.591%0.90879%0.79SS**  -171.3171.210422.30000111.1
313K30.9Very low30.3Very low190 Ų190130 Ų13083%0.82679%0.785SS**  trans-124.5138.4-173-57.6177.2-176.8177.50112.2
314S25.9Very low29.9Very low108 Ų108131.6 Ų131.676%0.75579%0.787SS**  trans-150.2124149.5-168.50000105.8
315L29.3Very low29.6Very low155 Ų155138 Ų13881%0.81280%0.797SS**  cis79.114237.6-14885.5000113.3
316T29Very low29.6Very low113 Ų113135.3 Ų135.369%0.69380%0.797SS**  trans76144.9-175.478.10000115.1
317N27.3Very low29.6Very low154 Ų154130.5 Ų130.582%0.82479%0.786SS**  cis-162.8-174.5-17.2-114.25000111.5
318S31Very low29.1Very low106 Ų106130.1 Ų130.174%0.74179%0.786SS**  trans82122.9172.7-132.70000114.8
319V31.1Very low29.3Very low142 Ų142125.8 Ų125.886%0.86177%0.765SS**  cis70117.430.1-167.20000112.7
320G29.6Very low29.6Very low76 Ų76126.1 Ų126.178%0.78476%0.762SS**  trans171.632.8-176.400000121.9
321S29.2Very low29.8Very low119 Ų119129.5 Ų129.583%0.83277%0.769SS**  trans40.7127.6150.5-153.80000124.2
322S29.3Very low30Very low118 Ų118128.2 Ų128.283%0.82577%0.768SS**  trans74138.9140.3-159.80000122.7
323G29.6Very low30Very low74 Ų74125.9 Ų125.976%0.76376%0.758SS**  trans160.6119.6166.700000114.2
324Y27.3Very low30.4Very low231 Ų231122.8 Ų122.891%0.90676%0.757SS**  trans-107.1144-179-77.1-99.7000113.3
325R30.9Very low30.6Very low241 Ų241126.6 Ų126.691%0.90976%0.76SS**  159.7149.4120.4-176.1168.1-74.1-94.74113
326S28.8Very low31.2Very low114 Ų114124.3 Ų124.380%0.79775%0.754SS**  trans-87.3163.1-174.4-32.50000115.4
327G29.7Very low31.1Very low59 Ų59126.1 Ų126.161%0.60876%0.76SS**  trans-179.7141.8163.500000112.7
328S30.3Very low31.1Very low86 Ų86127.5 Ų127.560%0.60176%0.762SS**  trans-115.8146-173.3-170.30000111.8S349 D350S328-S349 CarbonylContact O-C 3.54Å; S328-D350 PolarHBondContact O-N 2.81Å
329T31.9Very low31.3Very low63 Ų63127.5 Ų127.539%0.38776%0.759SS.*  175.4168.8103.337.30000113.3S349 D350T329-S349 VanDerWaalsContact OG1-C 3.24Å; T329-S349 PolarHBondContact OG1-O 3.15Å; T329-D350 HydrophobicContact CG2-CB 4.32Å; T329-D350 WeakPolarHBondContact CG2-OD1 3.13Å; T329-D350 WeakPolarHBondContact OG1-CA 3.11Å; T329-D350 PolarHBondContact OG1-N 2.95Å
330T31.1Very low31.3Very low116 Ų116129.3 Ų129.371%0.71276%0.755SS**  trans-86.7149.1179.848.60000114.4
331L32.7Very low31.2Very low149 Ų149134.2 Ų134.278%0.7876%0.758SS**  trans-152.8173.2135.4-97.6-166.7000110.8
332T32.5Very low31.2Very low131 Ų131132.4 Ų132.480%0.80476%0.758SS**  trans-97.2170.8-156.647.90000116.3
333S33.6Very low31.1Very low99 Ų99133.2 Ų133.269%0.69276%0.758SS**  trans-71.7171175.968.40000113
334P38.5Very low31.1Very low124 Ų124140.9 Ų140.981%0.80576%0.763SS**  -135.2166.571.938.2-23.4000116.5
335F29.7Very low31.2Very low188 Ų188134.8 Ų134.883%0.82575%0.754SS**  trans-66160.7164.2-87.5-75.7000111.5
336P41.2Very low30.9Very low107 Ų107128.5 Ų128.570%0.69575%0.747SS**  cis-137.1178.744.741.5-23.4000118.9
337D27.2Very low30.8Very low151 Ų151129.2 Ų129.281%0.80775%0.747SS**  trans77.2143.5165.3-59.8-28.4000121
338Q28.8Very low30.6Very low184 Ų184132.3 Ų132.386%0.8675%0.748SS**  trans-82.3168.1178.2-66.4-17113.900110.7
339P33.9Very low30.5Very low106 Ų106132.2 Ų132.269%0.68875%0.748SS**  cis-143.7171.918.742.8-24.1000118.7
340K31.2Very low30.3Very low179 Ų179135.4 Ų135.478%0.77876%0.763SS**  trans56.6134.9147.2-78.9-177.3174.2-166.90122.2
341E28.8Very low30.3Very low180 Ų180133.3 Ų133.384%0.84175%0.753SS**  trans65142.5149.6-65.8174.195.700118.7
342G28.5Very low30.1Very low80 Ų80129.7 Ų129.783%0.82575%0.752SS**  trans139.4100.4172.700000114.7
343V28Very low29.8Very low136 Ų136126.8 Ų126.882%0.82475%0.747SS**  trans-95.4131.1177.8-165.80000110.6
344R29.6Very low29.6Very low235 Ų235129.9 Ų129.989%0.88776%0.756SS**  trans154112.2130.6-84.1168.8173.8143.90.7116.5
345S28.4Very low29.2Very low102 Ų102129.4 Ų129.471%0.71375%0.746SS**  52.9100.8128.9-170.40000123
346S25.3Very low29.1Very low109 Ų109131.2 Ų131.276%0.76275%0.747SS**  54.4131.3118.8-450000123.5
347V26.7Very low28.6Very low129 Ų129133.5 Ų133.578%0.78275%0.751SS**  167.1132.1111.4153.40000112.9
348L25.9Very low28.7Very low124 Ų124131.1 Ų131.165%0.64975%0.747SS**  trans52.2140166-98.465.2000118.6
349S27.8Very low28.6Very low85 Ų85132.1 Ų132.159%0.59475%0.748SS**  -174.2157.455.7-175.50000112.4S328 T329S328-S349 CarbonylContact O-C 3.54Å; T329-S349 VanDerWaalsContact OG1-C 3.24Å; T329-S349 PolarHBondContact OG1-O 3.15Å
350D26.1Very low28.3Very low130 Ų130130.1 Ų130.170%0.69575%0.747SS**  trans-55132.5-179.3-163.71.6000115.2S328 T329S328-D350 PolarHBondContact O-N 2.81Å; T329-D350 HydrophobicContact CG2-CB 4.32Å; T329-D350 WeakPolarHBondContact CG2-OD1 3.13Å; T329-D350 WeakPolarHBondContact OG1-CA 3.11Å; T329-D350 PolarHBondContact OG1-N 2.95Å
351S31Very low28.2Very low71 Ų71130.9 Ų130.950%0.49775%0.751SS.*  trans-168.2158.7167.765.50000114.3
352G29.3Very low28.1Very low74 Ų74129.8 Ų129.876%0.76375%0.745SS**  trans110.286.9152.200000117.3
353G25.8Very low28.3Very low69 Ų69131.7 Ų131.771%0.71174%0.743SS**  trans-122.4148.2160.500000111.3
354L28.9Very low28.3Very low165 Ų165131.1 Ų131.186%0.86474%0.741SS**  trans70.7155.1170.9-62.6167.5000114.9
355L30.9Very low28.2Very low114 Ų114127 Ų12760%0.59774%0.736SS**  cis-162.3136.416.9-138.6167000112.7
356R27.2Very low28.3Very low226 Ų226130 Ų13085%0.85374%0.739SS**  trans61161.8163.7-83.8165.7-156153.34.3116.4
357I30.2Very low28.7Very low154 Ų154131.9 Ų131.979%0.7974%0.74SS**  cis-128.1152.97.4-59.8170.2000106.4
358S30.6Very low29Very low102 Ų102128.5 Ų128.571%0.71373%0.731SS**  cis-130-15310.5-127.10000109.5
359K27.1Very low29.3Very low204 Ų204132.3 Ų132.389%0.88774%0.743SS**  cis80.8105.113.1-145-176.1-179.5-175.80117.8
360G26.1Very low29.4Very low64 Ų64132 Ų13266%0.6675%0.745SS**  cis-178.6-159.8-1.200000112.5
361F30.4Very low29.5Very low196 Ų196133.2 Ų133.286%0.8675%0.752SS**  trans-8.8142.3157.2-67.8-92.1000117.5
362E25.7Very low29.6Very low156 Ų156135 Ų13573%0.72976%0.764SS**  cis-164.7155.43-169.7165.1166.800107.2
363P33.8Very low29.5Very low120 Ų120133.6 Ų133.678%0.77974%0.743SS**  trans-70156.9177.229.2-36.7000113.1
364T27.4Very low29.6Very low125 Ų125133.9 Ų133.977%0.76773%0.734SS**  trans-148.5149.6167.8-52.30000107.6
365D27Very low29.8Very low149 Ų149136.9 Ų136.980%0.79774%0.735SS**  trans-84.9-134.7-168.9-54.3-92.6000113.3
366E31.6Very low29.7Very low164 Ų164137.1 Ų137.177%0.76675%0.746SS**  trans65.6142.6-159.1-33.7-48.615100112.5
367D32.7Very low29.8Very low148 Ų148130 Ų13079%0.79174%0.743SS**  cis-156.8159.77.1-142.3-22.2000106.4
368G33.9Very low29.6Very low58 Ų58126.5 Ų126.560%0.59875%0.745SS**  cis-154.2172.4-2.900000108.3
369K31.7Very low29.6Very low205 Ų205126.8 Ų126.889%0.89175%0.747SS**  50.7131.562.2-84.5-168.3173.5-175.90113.6
370A29.8Very low29.7Very low78 Ų78122.5 Ų122.565%0.64574%0.743SS**  cis-158.7-165.6-3.900000108.7
371D28.9Very low29.9Very low156 Ų156122.7 Ų122.783%0.83475%0.745SS**  cis-158.4-175.610.6-137.3-43.4000112.9
372S31.8Very low29.9Very low107 Ų107120.3 Ų120.375%0.74875%0.746SS**  trans-48.6146.1-176.3-115.50000121.8
373S27.2Very low30Very low45 Ų45121.6 Ų121.632%0.31575%0.752SS.*  trans-82.2174.5133.553.20000109.7E465S373-E465 VanDerWaalsContact C-OE1 3.3Å; S373-E465 WeakPolarHBondContact CB-OE1 3.36Å; S373-E465 PolarHBondContact OG-OE1 3.26Å
374S29.4Very low29.7Very low75 Ų75124 Ų12452%0.52476%0.758SS.*  cis-152.815811.6-175.90000110.7E465 S466S374-E465 WeakPolarHBondContact CB-OE1 3.22Å; S374-E465 PolarHBondContact N-OE1 3.45Å; S374-S466 PolarHBondContact OG-O 3.24Å
375Y31.4Very low29.9Very low228 Ų228121.9 Ų121.989%0.89476%0.762SS**  trans-155.7157.5146.968.7-90.7000111.9
376S29.3Very low29.9Very low119 Ų119121.5 Ų121.583%0.83277%0.765SS**  trans-129.8156.5-172.7-176.90000112.4
377G29.1Very low29.7Very low76 Ų76121.8 Ų121.878%0.78477%0.766SS**  trans103.5133145.100000119.9
378G27.4Very low29.4Very low81 Ų81119.5 Ų119.584%0.83575%0.754SS**  trans97.5135.6154.100000116.1
379S29.4Very low29.2Very low108 Ų108124.4 Ų124.476%0.75576%0.762SS**  cis-166149.431-171.50000114.1
380S30.3Very low28.9Very low114 Ų114118.8 Ų118.880%0.79775%0.748SS**  trans42.2133.7142.564.50000123.7
381G29.9Very low28.9Very low68 Ų68120 Ų12070%0.70175%0.751SS**  trans128.1100.4160.100000111.7
382V30Very low29Very low147 Ų147117.3 Ų117.389%0.89174%0.74SS**  56.696.666-173.90000112.9
383E28.3Very low29Very low182 Ų182119.7 Ų119.785%0.8574%0.74SS**  -167.9168.1108.258.6-174.3173.400112.3
384N27.1Very low29.1Very low170 Ų170124.6 Ų124.691%0.90976%0.759SS**  trans-96.8140.7-179.4-64.1-39.5000110.4
385G31.2Very low29.2Very low82 Ų82125 Ų12585%0.84577%0.767SS**  trans-155.185.9178.200000113.7
386T27.1Very low29.3Very low141 Ų141118.6 Ų118.687%0.86575%0.752SS**  trans-82.5168.6168.547.50000111.8
387H28.2Very low29.6Very low169 Ų169120.8 Ų120.878%0.78275%0.749SS**  trans82.3102.8168.9-148.8-71.8000114.5
388D25.9Very low30.3Very low101 Ų101122.6 Ų122.654%0.5475%0.745SS.*  cis100.3128.344.6-171.737.9000112.3
389Q29Very low31.1Very low161 Ų161125.9 Ų125.975%0.75274%0.743SS**  trans57154.2162.4-80.117281.100119.9
390S26.3Very low32Very low87 Ų87129 Ų12961%0.60875%0.745SS**  cis-168.4-157.9-13.357.10000108.9
391S29.6Very low32.8Very low102 Ų102129.9 Ų129.971%0.71374%0.741SS**  trans82.7142.8141.9-77.40000120.1
392V31.5Very low33.3Very low100 Ų100133.4 Ų133.461%0.60674%0.741SS**  cis-164.3142.1-17.199.30000111.9
393Q30.7Very low33.9Very low158 Ų158131.4 Ų131.474%0.73873%0.734SS**  trans47179152.1-60147.23.700118.6
394M30.8Very low34.9Very low147 Ų147129.6 Ų129.672%0.72473%0.729SS**  cis-125.6152.92-64.6-80.8-93.200107.5
395A30.8Very low35Very low83 Ų83127 Ų12769%0.68672%0.724SS**  51.713864.400000112.6
396T33Very low35.2Very low95 Ų95128.5 Ų128.558%0.58372%0.722SS**  cis-147163.435.244.90000114.5
397E36.9Very low35.5Very low164 Ų164126.2 Ų126.277%0.76672%0.717SS**  trans51.9157.9137.882.1-148.4137.400122.9
398T43.5Very low35.5Very low114 Ų114123.7 Ų123.770%0.69972%0.718SS**  cis-127144.82.6240000110.2
399L43.7Very low35.8Very low150 Ų150123.7 Ų123.779%0.78573%0.726SS**  59.2135.782.7-12977.2000112.7
400E48.2Very low36.4Very low173 Ų173123.1 Ų123.181%0.80873%0.728SS**  cis-117.2-17010.8-64.2153.8131.700110.5
401D48.2Very low36.8Very low133 Ų133128 Ų12871%0.71174%0.741SS**  cis-151.3-166.811.5-167.79.9000111
402M39.3Very low37.2Very low142 Ų142134.1 Ų134.170%0.775%0.748SS**  trans-128.7-174.4-160.3-58.6165-77.700112.3
403S42.4Very low37.3Very low105 Ų105132.7 Ų132.773%0.73475%0.754SS**  cis-146.3154.613.1-61.60000109.5
404L50.5Low37.4Very low145 Ų145132.5 Ų132.576%0.75976%0.758SS**  cis87.9111.830.3-65.9-176.9000117.5
405S29Very low37.4Very low114 Ų114130.4 Ų130.480%0.79775%0.754SS**  trans178.1138.4138.4-75.30000109.1
406S35Very low38Very low115 Ų115131.8 Ų131.880%0.80476%0.758SS**  cis85.9138.726.2-56.50000114.6
407A33.7Very low38.3Very low92 Ų92134.2 Ų134.276%0.7676%0.763SS**  cis-171.4169-14.400000111.3
408S28.3Very low38.9Very low116 Ų116135.4 Ų135.481%0.81177%0.769SS**  trans68.5170.7164-123.50000117.2
409S31.1Very low38.6Very low101 Ų101135.9 Ų135.971%0.70677%0.766SS**  cis-1551545.9-141.80000115.9
410L42.9Very low38.7Very low150 Ų150136.2 Ų136.279%0.78577%0.767SS**  trans-4.4135.5146.7179.570.8000120.9
411E33.4Very low38.6Very low188 Ų188133 Ų13388%0.87976%0.756SS**  trans-146.2170.2139.9-168.4143.8-136.500110.8
412R37.3Very low38.4Very low231 Ų231134.8 Ų134.887%0.87277%0.765SS**  trans-135.9149.3179.4-82-174.8170.3-160.8-0.6110.6
413G35Very low38.4Very low71 Ų71132.7 Ų132.773%0.73276%0.764SS**  trans93.5162.3173.200000113.3
414D32.8Very low38.6Very low153 Ų153135.1 Ų135.182%0.81877%0.769SS**  cis-151.8177.4-5.4-145.8-7000112.3
415T30.7Very low38.2Very low104 Ų104133.2 Ų133.264%0.63877%0.767SS**  trans-33.5129.6179.951.70000118.9
416S43Very low38.8Very low111 Ų111132.6 Ų132.678%0.77677%0.769SS**  trans-178.2138.6131.625.50000108.3
417E38.8Very low39Very low147 Ų147131 Ų13169%0.68777%0.771SS**  cis101.351.415.8103.6-164.9112.500117.7I419E417-I419 HydrophobicContact CB-CD1 4.32Å
418E49.3Very low39Very low188 Ų188133.2 Ų133.288%0.87977%0.77SS**  trans-135.5104.8147.549.6-175-128.400106
419I37.9Very low39.5Very low125 Ų125133.1 Ų133.164%0.64176%0.764SS**  cis63.8100.120.9-63.8-176000112.3E417E417-I419 HydrophobicContact CB-CD1 4.32Å
420L47Very low39.7Very low156 Ų156138 Ų13882%0.81777%0.773SS**  trans67.1158.1160-61.3173.9000115.8
421D44Very low39.5Very low106 Ų106135.8 Ų135.857%0.56777%0.77SS**  cis-163.1154.6-28.6-175.514.4000106.2C423D421-C423 PolarHBondContact OD1-N 3.41Å; D421-C423 PolarHBondContact OD1-SG 3.02Å
422D44.3Very low39.3Very low170 Ų170134.5 Ų134.591%0.90977%0.769SS**  trans-173.261.4152.9-104.4-11000107.5
423C40.9Very low39.1Very low98 Ų98126.9 Ų126.966%0.66276%0.762SS**  trans-71.4119.2159.4-56.90000109D421D421-C423 PolarHBondContact OD1-N 3.41Å; D421-C423 PolarHBondContact OD1-SG 3.02Å
424D45.9Very low38.9Very low157 Ų157130.2 Ų130.284%0.8476%0.763SS**  trans-146.7118.9148.2-101.9-20.4000110.2
425S42.7Very low39.3Very low105 Ų105130.9 Ų130.973%0.73477%0.765SS**  cis98.964.545.1-65.10000113.2
426A41.7Very low39.9Very low101 Ų101130.4 Ų130.484%0.83576%0.764SS**  trans-154.2119.2146.700000105.4
427G37.8Very low39.3Very low81 Ų81131.6 Ų131.684%0.83577%0.766SS**  96.7127.468.900000107.4
428D33.7Very low38.8Very low139 Ų139129.4 Ų129.474%0.74377%0.768SS**  cis-144.2155.615.3-173.717.3000110.4
429V39.5Very low37.9Very low113 Ų113125.7 Ų125.769%0.68576%0.758SS**  trans-116.7111.4-178.1175.20000109.8S431V429-S431 VanDerWaalsContact C-N 3.28Å; V429-S431 PolarHBondContact O-N 3.17Å
430F35.4Very low37.6Very low203 Ų203125.3 Ų125.389%0.8976%0.757SS**  trans-73.484.3164.4-76.3-72.6000110.3
431S37.7Very low36.8Very low104 Ų104125.2 Ų125.273%0.72775%0.753SS**  trans-84.4127.6158.6-69.50000109.8V429V429-S431 VanDerWaalsContact C-N 3.28Å; V429-S431 PolarHBondContact O-N 3.17Å
432D30.6Very low36.1Very low162 Ų162126.1 Ų126.187%0.86676%0.762SS**  trans-153.9151.1136.3-157.8-3.1000109.1
433G32.5Very low35.3Very low70 Ų70123.7 Ų123.772%0.72275%0.753SS**  trans124.377.8-176.600000114.2
434D30.8Very low34.7Very low142 Ų142125.8 Ų125.876%0.75976%0.757SS**  trans-57.1146.2176.2-80-58.1000115
435I41.5Very low33.8Very low166 Ų166126.3 Ų126.385%0.85175%0.754SS**  -174.7128.1108.9-89.3153.3000109.5
436P43.5Very low33Very low95 Ų95132.3 Ų132.362%0.61776%0.761SS**  trans-108.2177-173.740.3-36.1000115.4
437T30.1Very low32.3Very low135 Ų135133.1 Ų133.183%0.82876%0.761SS**  trans73.2146.716874.80000116.4
438S28.2Very low31.7Very low102 Ų102134.6 Ų134.671%0.71376%0.758SS**  cis-160.2170.8-14.655.70000107
439T31.2Very low31.4Very low109 Ų109134.2 Ų134.267%0.66976%0.756SS**  -179.7137.557-104.40000110.1
440N31.2Very low30.8Very low118 Ų118135.1 Ų135.163%0.63176%0.757SS**  trans31.4121.2150.9-64.1-54.7000124.4
441Q29.4Very low30.6Very low154 Ų154132.1 Ų132.172%0.7275%0.75SS**  76.3156.9120.1-63.7174.248.300122.5
442T28.7Very low30.4Very low125 Ų125133.1 Ų133.177%0.76775%0.752SS**  trans69148.6153.344.20000119.4
443V28.1Very low30.4Very low119 Ų119128 Ų12872%0.72174%0.738SS**  cis-165.1150.7-24.9104.80000110.5
444L27.8Very low30.6Very low142 Ų142136.8 Ų136.874%0.74375%0.749SS**  trans66.5152.2162-81.2169.8000122.4
445Q27.8Very low30.4Very low168 Ų168138 Ų13879%0.78575%0.75SS**  trans61.3112.3157.4-69.4173.691.200118.4
446R25.5Very low30.2Very low231 Ų231135.4 Ų135.487%0.87275%0.745SS**  87.5133.857-173.5177.1-164.1178.77.3113
447S26.7Very low29.9Very low118 Ų118137.7 Ų137.783%0.82576%0.756SS**  trans75.4143.2178.6780000114.4
448S27Very low29.8Very low112 Ų112137.9 Ų137.978%0.78375%0.752SS**  cis-148.3176.9-654.20000111.5
449N25.5Very low30.3Very low130 Ų130141.3 Ų141.370%0.69576%0.762SS**  trans-41.9152.4147.3-95.759000110.9
450D27.1Very low30.3Very low132 Ų132142 Ų14271%0.70677%0.766SS**  cis-154.4175.242.7-113.3-41.4000115.4
451N32.7Very low30.2Very low141 Ų141144.4 Ų144.475%0.75477%0.773SS**  trans-42.1128.5163.4157.281.3000115.4
452T33.6Very low30.2Very low125 Ų125142.9 Ų142.977%0.76777%0.77SS**  trans-135.8125.6158.8-61.40000109.3
453G30.4Very low30.4Very low55 Ų55147 Ų14757%0.56778%0.778SS**PPolyproline II helixtrans-80153.5171.700000111.6
454W35.2Very low30.5Very low253 Ų253150.5 Ų150.596%0.95879%0.786SS**PPolyproline II helixtrans-85.7118.5-177-69.379.6000111.8
455E27.8Very low30.5Very low167 Ų167150.2 Ų150.278%0.7878%0.781SS**PPolyproline II helixtrans-66.1144.9166.4-72.1-74.9-174.800111.3
456P37.5Very low30.5Very low113 Ų113145.8 Ų145.873%0.73477%0.768SS**PPolyproline II helixtrans-77.1142.416033.6-31.3000110.4
457V36.2Very low31.5Very low142 Ų142139.2 Ų139.286%0.86176%0.755SS**PPolyproline II helixtrans-82.6132-175172.80000112
458D29.3Very low31.4Very low140 Ų140141.8 Ų141.875%0.74976%0.756SS**PPolyproline II helixtrans-63.3150.6171.5-89.3-41.7000113.6
459L38.3Very low31.6Very low174 Ų174144.6 Ų144.691%0.91176%0.757SS**  trans-126.7138.5153.5-74.2178.2000109.5
460T31.1Very low31.6Very low123 Ų123146.4 Ų146.476%0.75576%0.759SS**  trans-108.7129.5-155.654.60000114.4
461E29Very low31.7Very low169 Ų169147.1 Ų147.179%0.7976%0.762SS**  trans-144.191.5150.8-93.8-140.6108.800113.5
462N29.7Very low31.4Very low122 Ų122147 Ų14765%0.65276%0.757SS**  35.876.7124.366.914.5000122.2
463K31.6Very low31.2Very low212 Ų212148.2 Ų148.292%0.92275%0.754SS**  -166.9149.8120.6-110.7162.3-175176.50116.1
464E30.9Very low31Very low191 Ų191149.5 Ų149.589%0.89375%0.754SS**  trans-94139.3-179.9-55.9165.6108.700111.6
465E28.6Very low30.5Very low137 Ų137142.8 Ų142.864%0.6474%0.741SS**  -161.9161.5114.1-137.2-165.6107.500111.6S373 S374S373-E465 VanDerWaalsContact C-OE1 3.3Å; S373-E465 WeakPolarHBondContact CB-OE1 3.36Å; S373-E465 PolarHBondContact OG-OE1 3.26Å; S374-E465 WeakPolarHBondContact CB-OE1 3.22Å; S374-E465 PolarHBondContact N-OE1 3.45Å
466S26.1Very low30.5Very low75 Ų75142.5 Ų142.552%0.52474%0.74SS.*  trans-176.1165.6-168-166.10000109.4S374S374-S466 PolarHBondContact OG-O 3.24Å
467P47.6Very low29.9Very low92 Ų92144.2 Ų144.260%0.59774%0.743SS**  cis-132178.1-46.137.3-22.8000112.7
468M24.9Very low29.2Very low172 Ų172142 Ų14285%0.84773%0.734SS**  trans172.2136.7142.4-95.9174.263.700107.9
469Q31.3Very low29Very low171 Ų171143.6 Ų143.680%0.79974%0.741SS**  cis104.5134.534.5-87.4-153.611.700113.9
470K25.3Very low28.6Very low169 Ų169141 Ų14174%0.73573%0.733SS**  trans70.9115.8167.3-111.5171.6170.6-177.70116.3
471L29Very low28.4Very low147 Ų147143 Ų14377%0.7774%0.738SS**  63.710351.5-175.788.1000113.6
472Q26.7Very low28.3Very low138 Ų138139.8 Ų139.865%0.64573%0.734SS**  -175.9122.9125.4-99.9-179.4-75.300107.8
473E28.4Very low28.9Very low151 Ų151139.6 Ų139.671%0.70674%0.739SS**  77.4152.597-81.4-159.577.700115.3
474S26.1Very low28.8Very low82 Ų82135.3 Ų135.357%0.57373%0.733SS**  cis-169.3-141.7-1856.10000108.8
475T25.8Very low28.5Very low111 Ų111134.3 Ų134.368%0.68173%0.728SS**  trans71.491.2172-44.50000115
476Q27.6Very low28.4Very low162 Ų162132.7 Ų132.776%0.75773%0.732SS**  75.3113.271.7-67.9175.1-44.900114.8
477D24.8Very low28.5Very low149 Ų149135.4 Ų135.480%0.79774%0.741SS**  -173138.7103-93.6-24.5000109
478S21.6Very low27.8Very low96 Ų96135.3 Ų135.367%0.67175%0.748SS**  cis82.488.543.3-164.10000113.7
479L25Very low28.7Very low173 Ų173132.1 Ų132.191%0.90674%0.74SS**  trans-149.3140.2141.9-14475.1000112.2
480V30.2Very low28.8Very low120 Ų120133 Ų13373%0.72774%0.744SS**  trans-91.5142.9176.8169.50000109.8
481L27.1Very low29Very low165 Ų165128.8 Ų128.886%0.86475%0.749SS**  trans-168.1160.2138-103.8169.2000111.2
482S25.1Very low29Very low101 Ų101127.2 Ų127.271%0.70675%0.75SS**  trans-135.2-166.3-175.6-43.20000110.7
483P43.2Very low29.4Very low118 Ų118125.3 Ų125.377%0.76675%0.752SS**  -119.2173.8-12339.2-22000116.2
484P28.6Very low29.7Very low122 Ų122124 Ų12479%0.79275%0.754SS**  trans-131.7124.3137.334.5-22.3000110.7
485Q26.4Very low30.5Very low169 Ų169128 Ų12879%0.7976%0.764SS**  7695.762.3-166.8-177.1500116
486S25.9Very low31Very low104 Ų104130.1 Ų130.173%0.72777%0.77SS**  trans-179106.7133.9560000108.2
487D28Very low31.4Very low132 Ų132126.5 Ų126.571%0.70676%0.762SS**  57.194.189-67.1-54.8000112.8
488A33.1Very low32Very low89 Ų89125.4 Ų125.474%0.73676%0.764SS**  108.116275.700000110.4
489P43.9Very low32.6Very low105 Ų105126 Ų12668%0.68277%0.768SS**  cis-131.2178.61043.6-27.3000116.9
490Q33.2Very low33.3Very low189 Ų189125.4 Ų125.488%0.88377%0.766SS**  trans-43.6147.5176.4-60.1166.4-29.500117.7
491G29.3Very low33.7Very low81 Ų81125.2 Ų125.284%0.83577%0.769SS**  trans-115.7141142.600000108.8
492S30Very low34.6Very low115 Ų115122.7 Ų122.780%0.80477%0.765SS**  trans-101.6154.8-164.256.90000115.5
493S33.4Very low36.1Very low97 Ų97121.7 Ų121.768%0.67877%0.771SS**  trans-22.5136.3166.6-42.50000118.3
494V36.1Very low36.2Very low124 Ų124118.5 Ų118.575%0.75276%0.76SS**  trans-128.3109.1134.2154.30000106.9L496V494-L496 HydrophobicContact CG1-CD2 3.7Å; V494-L496 HydrophobicContact CG1-CG 3.75Å
495E42.9Very low37Very low167 Ų167119 Ų11978%0.7876%0.761SS**  trans-96.2106.8169.5-67.4176.6136.200107.4S497E495-S497 VanDerWaalsContact C-N 3.32Å; E495-S497 PolarHBondContact O-N 2.92Å; E495-S497 VanDerWaalsContact O-N 3.08Å
496L35.6Very low38.2Very low155 Ų155121.4 Ų121.481%0.81276%0.764SS**  trans-83.679.2175.8-67-177.2000110.3V494 P498V494-L496 HydrophobicContact CG1-CD2 3.7Å; V494-L496 HydrophobicContact CG1-CG 3.75Å; L496-P498 WeakPolarHBondContact O-CD 3.18Å
497S35.7Very low39.8Very low85 Ų85124 Ų12459%0.59477%0.767SS**  trans-65.4119.9167.7-63.30000110.3E495 S499E495-S497 VanDerWaalsContact C-N 3.32Å; E495-S497 PolarHBondContact O-N 2.92Å; E495-S497 VanDerWaalsContact O-N 3.08Å; S497-S499 PolarHBondContact O-N 3.18Å
498P38.7Very low41.4Very low127 Ų127128.1 Ų128.183%0.82577%0.773SS**  trans-76.870.3172.632.9-34.7000110.2L496 N500L496-P498 WeakPolarHBondContact O-CD 3.18Å; P498-N500 PolarHBondContact O-N 3.47Å
499S34.4Very low42.3Very low108 Ų108131.5 Ų131.576%0.75578%0.779SS**  trans-72.968.5178.2-64.40000111.8S497 S501S497-S499 PolarHBondContact O-N 3.18Å; S499-S501 VanDerWaalsContact C-N 3.35Å; S499-S501 PolarHBondContact O-N 3.16Å
500N39.3Very low43Very low161 Ų161133.9 Ų133.986%0.86178%0.78SS**  trans-77.782.5175.7-172.713.9000111.2P498P498-N500 PolarHBondContact O-N 3.47Å
501S37.7Very low44.1Very low116 Ų116133.7 Ų133.781%0.81178%0.779SS**  trans-156.488.4165.2-167.70000112.5S499S499-S501 VanDerWaalsContact C-N 3.35Å; S499-S501 PolarHBondContact O-N 3.16Å
502S46.8Very low44.9Very low111 Ų111133.6 Ų133.678%0.77678%0.778SS**  trans-157134.9139.4-173.40000109
503G56.8Low45.7Very low81 Ų81134.8 Ų134.884%0.83578%0.775SS**  trans-67.6135.4166.400000110.1
504G45.2Very low46.8Very low51 Ų51138.3 Ų138.353%0.52678%0.781SS.*  trans-153.7112.5173.300000108.9Y506G504-Y506 WeakPolarHBondContact O-CD2 3.41Å; G504-Y506 PolarHBondContact O-N 3.27Å
505T45.2Very low47.7Very low133 Ų133137.7 Ų137.782%0.81678%0.78SS**  trans-75.795.6174.7-54.10000108.1M507T505-M507 HydrophobicContact CG2-CG 4.05Å; T505-M507 PolarHBondContact O-N 3.38Å
506Y50.3Low47.6Very low219 Ų219138.5 Ų138.586%0.85979%0.788SS**  trans-69.385.7168.7-70-85000108.9G504G504-Y506 WeakPolarHBondContact O-CD2 3.41Å; G504-Y506 PolarHBondContact O-N 3.27Å
507M60.6Low47.4Very low159 Ų159134.9 Ų134.978%0.78379%0.789SS**  trans-69133.6156.6-56-172.9-57.200106.7T505 D509T505-M507 HydrophobicContact CG2-CG 4.05Å; T505-M507 PolarHBondContact O-N 3.38Å; M507-D509 PolarHBondContact O-N 2.93Å
508W61.8Low47Very low218 Ų218139.7 Ų139.783%0.82680%0.802SS**  trans-65.2122.9-178.8-60.580.3000110.2E510W508-E510 HydrophobicContact CB-CG 3.73Å; W508-E510 PolarHBondContact O-N 3.47Å
509D50.7Low46.8Very low160 Ų160140.4 Ų140.486%0.85680%0.798SS**  trans-81.861.4172.450.6-33.6000111.2M507 E511M507-D509 PolarHBondContact O-N 2.93Å; D509-E511 PolarHBondContact O-N 3.47Å
510E58.5Low47Very low154 Ų154145.3 Ų145.372%0.7281%0.806SS**  trans-69.658.2177.2-61.2-75144.400112.8W508W508-E510 HydrophobicContact CB-CG 3.73Å; W508-E510 PolarHBondContact O-N 3.47Å
511E58.1Low46.6Very low185 Ų185142.6 Ų142.686%0.86480%0.799SS**  trans-154.6116.8164.5-124.4166.3-145.200113.8D509D509-E511 PolarHBondContact O-N 3.47Å
512G45.9Very low46.8Very low79 Ų79142 Ų14281%0.81479%0.793SS**  trans-163.552.6-169.900000113.9
513L45.8Very low46.3Very low140 Ų140144.4 Ų144.473%0.73380%0.796SS**  trans-45.5156.7175.6-61.5172000113.5
514E57.7Low44.9Very low171 Ų171144.9 Ų144.980%0.79979%0.792SS**  cis-161174.627.6-134.3154.1-129.700110.3
515P53.4Low44.3Very low112 Ų112146.8 Ų146.873%0.72780%0.797SS**  trans-104.5161.3-166.238.9-31.4000116.5
516L40.8Very low44.1Very low183 Ų183150.1 Ų150.196%0.95880%0.796SS**  trans-142.2132.9163.1-62.7171000108.5
517G31.8Very low43.5Very low80 Ų80147.7 Ų147.783%0.82579%0.793SS**  cis147.278.2-12.800000114.4
518E26.9Very low42.9Very low186 Ų186147.5 Ų147.587%0.86980%0.795SS**  trans-151.5103.7165.3-140.8173-169.900116.5
519L34.7Very low42.2Very low142 Ų142144.7 Ų144.774%0.74380%0.795SS**  trans37.2117.5141.4-72.6147000122.2
520K38.5Very low42.3Very low211 Ų211146.6 Ų146.692%0.91780%0.799SS**  -156.2147.494.9-101.7157.6-172.2168.40112.1
521S32.2Very low42Very low104 Ų104145.5 Ų145.573%0.72780%0.797SS**  trans-115.2-176.5-174.6750000110.3
522P40.5Very low41.6Very low104 Ų104140.5 Ų140.568%0.67578%0.776SS**  cis-144.4165.645.242.3-22.7000118.9
523L36.3Very low41.8Very low161 Ų161141 Ų14184%0.84377%0.767SS**  trans59.8125.3170.9-82.872.1000116.5
524A29Very low42.5Very low91 Ų91139.7 Ų139.775%0.75276%0.759SS**  74.8142.951.600000113.2
525S31.8Very low42.5Very low91 Ų91135.6 Ų135.664%0.63674%0.742SS**  cis-157.6163.721.6-163.30000113.2
526Y40.5Very low42.7Very low203 Ų203135.7 Ų135.780%0.79674%0.735SS**  trans69.4129.5178.6-60.9-86.9000114.1
527E37.4Very low43.5Very low167 Ų167132.6 Ų132.678%0.7872%0.719SS**  cis70.3135.245.5-56-76-170.800112.9
528D48.5Very low44.8Very low156 Ų156134.7 Ų134.783%0.83471%0.711SS**  trans48.776.4178.2-73.9-17.9000117.7
529L47.6Very low46.2Very low158 Ų158132 Ų13283%0.82770%0.703SS**  trans-138.496.9141.1-82.7-172.8000111.2I531L529-I531 HydrophobicContact CB-CG2 4.41Å; L529-I531 PolarHBondContact O-N 2.95Å
530E52.8Low47.4Very low201 Ų201132.3 Ų132.394%0.93971%0.705SS**  trans-7271.4171.2-169.4175.6-135.200110.3N532E530-N532 PolarHBondContact O-N 3.42Å
531I51Low48.1Very low130 Ų130129.6 Ų129.667%0.66770%0.7SS**  trans-70.996.3-179.345.6167.4000111.6L529 S533L529-I531 HydrophobicContact CB-CG2 4.41Å; L529-I531 PolarHBondContact O-N 2.95Å; I531-S533 PolarHBondContact O-N 3.41Å; I531-S533 VanDerWaalsContact O-N 3.11Å
532N49.7Very low49.2Very low80 Ų80130 Ų13043%0.42870%0.7SS.*  trans-35.9111.4168.9174.122.4000112.5E530 M534 D535E530-N532 PolarHBondContact O-N 3.42Å; N532-M534 PolarHBondContact O-N 3.3Å; N532-M534 WeakPolarHBondContact OD1-CB 3.39Å; N532-M534 PolarHBondContact OD1-N 3.23Å; N532-M534 VanDerWaalsContact OD1-N 3.16Å; N532-D535 PolarHBondContact ND2-OD1 3.31Å; N532-D535 PolarHBondContact ND2-OD2 2.89Å; N532-D535 PolarHBondContact O-N 2.93Å
533S51.8Low49.6Very low90 Ų90133.8 Ų133.863%0.62971%0.714SS**THydrogen-bonded Turntrans-65.1-11.4-176.855.10000114.1I531I531-S533 PolarHBondContact O-N 3.41Å; I531-S533 VanDerWaalsContact O-N 3.11Å
534M59.4Low49.9Very low113 Ų113129.4 Ų129.456%0.55771%0.708SS**THydrogen-bonded Turntrans-76.6-28.9173.8-156.160.253.800113.2N532 I536 L537 N538N532-M534 PolarHBondContact O-N 3.3Å; N532-M534 WeakPolarHBondContact OD1-CB 3.39Å; N532-M534 PolarHBondContact OD1-N 3.23Å; N532-M534 VanDerWaalsContact OD1-N 3.16Å; M534-I536 VanDerWaalsContact C-N 3.33Å; M534-I536 PolarHBondContact O-N 3.37Å; M534-L537 PolarHBondContact O-N 2.93Å; M534-L537 HydrophobicContact SD-CD1 4.43Å; M534-N538 PolarHBondContact O-N 3.35Å
535D57.5Low50.7Low85 Ų85130.3 Ų130.346%0.45572%0.715SS.*THydrogen-bonded Turntrans-78.2-20.1-173.5-67.2-32.9000113N532 L537 N538 N539N532-D535 PolarHBondContact ND2-OD1 3.31Å; N532-D535 PolarHBondContact ND2-OD2 2.89Å; N532-D535 PolarHBondContact O-N 2.93Å; D535-L537 VanDerWaalsContact C-N 3.28Å; D535-L537 PolarHBondContact O-N 3.11Å; D535-N538 PolarHBondContact O-N 2.89Å; D535-N539 PolarHBondContact O-ND2 2.96Å
536I58.9Low51.3Low113 Ų113129.4 Ų129.458%0.57972%0.721SS**THydrogen-bonded Turntrans-63.9-36.6170.3-57.9176.6000110.4M534M534-I536 VanDerWaalsContact C-N 3.33Å; M534-I536 PolarHBondContact O-N 3.37Å
537L57.2Low52Low119 Ų119127 Ų12762%0.62372%0.721SS**G310 helixtrans-77.9-25.1-178.4-59.1177.8000113M534 D535 N539M534-L537 PolarHBondContact O-N 2.93Å; M534-L537 HydrophobicContact SD-CD1 4.43Å; D535-L537 VanDerWaalsContact C-N 3.28Å; D535-L537 PolarHBondContact O-N 3.11Å; L537-N539 VanDerWaalsContact C-N 3.25Å; L537-N539 PolarHBondContact O-N 3.43Å
538N59.3Low52.9Low123 Ų123126.7 Ų126.766%0.65872%0.724SS**G310 helixtrans-76.7-3.2177.2-82-37.5000114.5M534 D535M534-N538 PolarHBondContact O-N 3.35Å; D535-N538 PolarHBondContact O-N 2.89Å
539N55.8Low53Low131 Ų131125 Ų12570%0.70172%0.715SS**G310 helixtrans-101.113.2-179.4-78.4-86.3000113.9D535 L537D535-N539 PolarHBondContact O-ND2 2.96Å; L537-N539 VanDerWaalsContact C-N 3.25Å; L537-N539 PolarHBondContact O-N 3.43Å
540L59.8Low53.5Low148 Ų148125.8 Ų125.878%0.77572%0.72SS**  trans-111.462.8176.6-63.9179.8000111.8
541D53.1Low53.8Low153 Ų153121.8 Ų121.882%0.81871%0.705SS**  trans-75.5137.2170.5-147.125.5000109.5L543D541-L543 PolarHBondContact O-N 3.02Å
542P55.4Low54.5Low113 Ų113123.1 Ų123.173%0.73471%0.714SS**  trans-82.6108-161.230.8-34.1000113G544P542-G544 PolarHBondContact O-N 3.48Å
543L48.6Very low55.1Low183 Ų183127.4 Ų127.496%0.95874%0.736SS**  trans-73106.4166.3-128.775.1000109.6D541D541-L543 PolarHBondContact O-N 3.02Å
544G42.2Very low55Low69 Ų69130.1 Ų130.171%0.71174%0.74SS**  trans-90.1171.5-175.300000115.3P542P542-G544 PolarHBondContact O-N 3.48Å
545A46.9Very low54.5Low110 Ų110132.3 Ų132.391%0.90975%0.754SS**  trans56.989.415800000118.6
546G43.7Very low54Low73 Ų73134.1 Ų134.175%0.75376%0.763SS**  trans-134.1102.3131.100000106
547D56.4Low53.8Low152 Ų152134 Ų13481%0.81377%0.768SS**  65.975.161.1-156.638.3000111
548L55.3Low53.3Low160 Ų160135.8 Ų135.884%0.83878%0.778SS**  trans-140.7129.3165-78.7176.9000106.6
549D51.6Low52.8Low122 Ų122136.5 Ų136.565%0.65278%0.781SS**  trans-64137.6-165.3-74.8-93.4000115.9N551D549-N551 HydrophobicContact CB-CB 3.96Å; D549-N551 PolarHBondContact O-N 3.25Å; D549-N551 PolarHBondContact OD1-ND2 3.22Å
550D57.2Low53Low173 Ų173136.3 Ų136.393%0.92579%0.786SS**THydrogen-bonded Turntrans-7118164.4-66-59.6000113.4
551N59.1Low52.3Low117 Ų117137.4 Ų137.463%0.62679%0.788SS**THydrogen-bonded Turntrans-97-10.1-166.5-73.2-62.4000115.4D549D549-N551 HydrophobicContact CB-CB 3.96Å; D549-N551 PolarHBondContact O-N 3.25Å; D549-N551 PolarHBondContact OD1-ND2 3.22Å
552D64.7Low51.9Low158 Ų158137.4 Ų137.485%0.84579%0.788SS**SBendtrans-101.928-171.1-89.5-19.5000115
553L62.3Low50.9Low171 Ų171138.1 Ų138.190%0.89580%0.796SS**  trans-126.826.6175.5-77.9178.3000115.2
554M50.2Low50.3Low146 Ų146136.3 Ų136.372%0.71979%0.786SS**  trans-104.385.5161.7-56.8-163.2-36.300110.2D556M554-D556 VanDerWaalsContact C-N 3.27Å; M554-D556 PolarHBondContact O-N 2.78Å
555L49Very low50.3Low160 Ų160140.7 Ų140.784%0.83879%0.787SS**  trans-84.780160.5-75.1-179.2000108.5V557L555-V557 HydrophobicContact CB-CG2 4.42Å; L555-V557 PolarHBondContact O-N 3.22Å
556D47.8Very low49.7Very low123 Ų123142.1 Ų142.166%0.65878%0.78SS**  trans-67.183.8169.7-62-35.8000108.8M554 D558M554-D556 VanDerWaalsContact C-N 3.27Å; M554-D556 PolarHBondContact O-N 2.78Å; D556-D558 VanDerWaalsContact C-N 3.27Å; D556-D558 PolarHBondContact O-N 2.95Å
557V54Low49.2Very low111 Ų111147.2 Ų147.267%0.67378%0.782SS**  trans-81.980.3174.6-177.50000108.3L555 L559L555-V557 HydrophobicContact CB-CG2 4.42Å; L555-V557 PolarHBondContact O-N 3.22Å; V557-L559 HydrophobicContact CG1-CD1 3.72Å; V557-L559 PolarHBondContact O-N 2.89Å
558D46.8Very low48.4Very low156 Ų156147 Ų14783%0.83478%0.781SS**  trans-6382.2165-76.2-32.2000109.7D556D556-D558 VanDerWaalsContact C-N 3.27Å; D556-D558 PolarHBondContact O-N 2.95Å
559L49.2Very low47.3Very low138 Ų138145.3 Ų145.372%0.72378%0.782SS**  trans-81.6131157-114.973.2000107.9V557 E561V557-L559 HydrophobicContact CG1-CD1 3.72Å; V557-L559 PolarHBondContact O-N 2.89Å; L559-E561 PolarHBondContact O-N 3.42Å
560P59.9Low46.6Very low126 Ų126147.6 Ų147.682%0.81879%0.791SS**  trans-69.4122.9175.927.7-32.9000110.4
561E44.8Very low45.3Very low172 Ų172144.5 Ų144.580%0.80478%0.783SS**  trans-63.7-177.4165.6-139.177.7-142.600111.6L559L559-E561 PolarHBondContact O-N 3.42Å
562D43.9Very low44Very low152 Ų152146 Ų14681%0.81379%0.79SS**  trans68.590.9171.9-64.3-23.9000118
563S35.4Very low42.3Very low129 Ų129143.3 Ų143.390%0.90278%0.779SS**  -161.3136.2102.210.30000112.7
564L36.8Very low40.8Very low145 Ų145144.3 Ų144.376%0.75978%0.779SS**  trans-102.4152.8178.1-105.7164.3000111
565H40.8Very low40.1Very low160 Ų160140.3 Ų140.374%0.74178%0.776SS**  trans71.6156.9174.9-46.7-64.9000115.1
566D34.2Very low39.1Very low141 Ų141138.2 Ų138.275%0.75478%0.775SS**  cis-146.2-177.215.5-147.5-13.3000114
567F34.4Very low38.3Very low179 Ų179137.4 Ų137.479%0.78577%0.77SS**  trans-70.7165.1-170.9-87.8-105.2000117.5
568D38.5Very low37.4Very low149 Ų149142.7 Ų142.780%0.79778%0.778SS**  trans29112.6153.6-80.5-42.2000120.2
569S33.8Very low36.6Very low123 Ų123138.4 Ų138.486%0.8677%0.771SS**  trans-156.4148.6135.6-1660000112.5
570M35.1Very low35.7Very low171 Ų171137 Ų13784%0.84277%0.772SS**  trans-92.5159.8169.8-72.4-169.1-73.700111.9
571S30.7Very low34.7Very low107 Ų107141 Ų14175%0.74877%0.771SS**  trans94.8146.8150.683.10000120.6
572L32Very low34.3Very low148 Ų148141.3 Ų141.378%0.77577%0.773SS**  trans76.6124.1146-113.871.2000121.5
573T29.7Very low33.8Very low102 Ų102137.5 Ų137.563%0.62677%0.769SS**  trans53117137.247.50000119.7
574E30.6Very low33.8Very low192 Ų192140.7 Ų140.790%0.89777%0.77SS**  100147.773.5-169.5176.2174.900111.5
575G34Very low33.5Very low63 Ų63143 Ų14365%0.64977%0.769SS**  trans105.1130.8-169.500000111.1
576S29Very low33.4Very low116 Ų116147.7 Ų147.781%0.81178%0.78SS**  cis69.4136.137.2-1500000111.9
577D29.8Very low33.4Very low106 Ų106148.9 Ų148.957%0.56778%0.778SS**  cis-148.5-168.324-159.7-0.3000112.7
578R36.9Very low33.4Very low222 Ų222148.4 Ų148.484%0.83878%0.778SS**  trans-23.4152.7168-62.8140.1-140.8-167.18116.9
579G28.9Very low33.4Very low66 Ų66149.7 Ų149.768%0.6878%0.779SS**  cis134.8-166.410.800000111.8
580S30.3Very low33.2Very low107 Ų107152.7 Ų152.775%0.74877%0.772SS**  trans73128.5-169.1-1420000112.4
581R39.1Very low33.1Very low210 Ų210157 Ų15779%0.79278%0.779SS**  cis6613546.9-50.8170-178.5-108.91.1111.4
582Q35.7Very low33.3Very low180 Ų180155.8 Ų155.884%0.84177%0.77SS**  cis-164.2150.713.1-145169.2-26.500112.8
583G33.9Very low32.9Very low72 Ų72152.3 Ų152.374%0.74277%0.77SS**  trans104.6152.6157.200000116.3
584Q34.8Very low33.4Very low196 Ų196152.5 Ų152.592%0.91677%0.773SS**  cis-146.1150.1-16.5-139.1-165.931.700112.8
585R31.8Very low33.3Very low194 Ų194151.5 Ų151.573%0.73277%0.774SS**  trans-52.7142.4-174.9-57.1165.2174.1179.5-1.2113.9
586R38.3Very low33.4Very low257 Ų257156.5 Ų156.597%0.9778%0.78SS**  -111.3152.8119.6-71.7-174.9175.91591109
587K35Very low33.6Very low166 Ų166160.3 Ų160.372%0.72278%0.782SS**  trans-150.7170.7-170.7-114.3-165.1178.6-167.30109.1
588Q33.3Very low33.7Very low169 Ų169164.1 Ų164.179%0.7979%0.794SS**  trans90.4126.9179.8-56-162.110.200113.3
589H37.8Very low33.5Very low177 Ų177161.1 Ų161.182%0.81979%0.79SS**  cis-141.9171.3-7.6-115.1-61.7000113.2
590R31.3Very low33.9Very low186 Ų186164 Ų16470%0.70279%0.789SS**  trans-78.3150.9-176.4-67.5173.5174-94.38111.5S592R590-S592 WeakPolarHBondContact CD-OG 3.3Å; R590-S592 PolarHBondContact NH1-OG 3.31Å
591W32.4Very low34.2Very low261 Ų261164 Ų16499%0.98979%0.79SS**  -109.8156.5117.2-7692.4000108.8
592S33.8Very low34.1Very low81 Ų81165.1 Ų165.157%0.56679%0.794SS**  trans-155.9120.8-179.3-60.70000110.6R590R590-S592 WeakPolarHBondContact CD-OG 3.3Å; R590-S592 PolarHBondContact NH1-OG 3.31Å
593G25Very low34.2Very low75 Ų75164.2 Ų164.277%0.77379%0.794SS**  trans-122.9143.4162.500000108.1
594P38.7Very low34.7Very low106 Ų106168.6 Ų168.669%0.68880%0.795SS**  trans-105.7137.9-165.836.8-29.3000113.5
595D30.2Very low34.9Very low171 Ų171169.1 Ų169.191%0.91479%0.794SS**  trans-129.6138.5153.8-94.3-56.3000109.5
596H35.2Very low35.1Very low168 Ų168168.6 Ų168.678%0.77881%0.805SS**  trans-100.8127.3-170.3-74.6-97.5000111.4F598H596-F598 PolarHBondContact O-N 2.98Å
597F33.4Very low35Very low196 Ų196161.6 Ų161.686%0.8680%0.796SS**  trans-63.2128.6150.9-70.9-91.6000108.8
598F32.5Very low34.9Very low186 Ų186161 Ų16182%0.81680%0.8SS**  -174.2136.7128.7-86.2-52.1000112H596H596-F598 PolarHBondContact O-N 2.98Å
599H33Very low34.8Very low160 Ų160164.5 Ų164.574%0.74181%0.808SS**  trans34.4111.3158-67.7-74.6000122
600D37.1Very low34.4Very low125 Ų125162.5 Ų162.567%0.66880%0.803SS**  35.497.2105.5-171.319.8000118.1
601S35.4Very low34.4Very low109 Ų109159.3 Ų159.376%0.76280%0.8SS**  trans-17289.9147.8-86.30000111
602R37.5Very low34.4Very low233 Ų233154.6 Ų154.688%0.87979%0.789SS**  trans-166.737.4158.9-114.9-174.6-53.3-101.63.2115.3H604R602-H604 PolarHBondContact O-N 2.89Å
603L37.9Very low34.6Very low161 Ų161159.6 Ų159.684%0.84380%0.8SS**  trans-71.236176.1-93.3171.9000114.9
604H43.9Very low34.9Very low164 Ų164162.7 Ų162.776%0.75980%0.804SS**  trans-143.495.7177.6-63-48.6000110.7R602R602-H604 PolarHBondContact O-N 2.89Å
605F38.5Very low34.4Very low206 Ų206162 Ų16290%0.90480%0.802SS**SBendtrans-171.4-10.1148.9-111.9-64.6000116
606L37.2Very low34.7Very low183 Ų183164.9 Ų164.996%0.95880%0.8SS**SBendtrans-118.845.6-179.2-73.8170.4000113.4
607S35.8Very low34.5Very low111 Ų111166.5 Ų166.578%0.77681%0.805SS**  trans-138.283.9166.6-167.60000110
608N32.9Very low35Very low152 Ų152162.6 Ų162.681%0.81380%0.8SS**  trans176.6102.7160.3-97.2-27000108.8
609Y30.6Very low35Very low243 Ų243159.3 Ų159.395%0.95380%0.8SS**  trans-179.284.5140.1-98.1-58.8000110.2
610N30.7Very low34.9Very low136 Ų136162.5 Ų162.573%0.72781%0.805SS**  trans-149.4136.4155.7-163.51.8000110
611N29.9Very low35Very low118 Ų118162.4 Ų162.463%0.63181%0.812SS**  trans67.3142.8-176.4-39.7-80.8000114.4
612H33Very low35Very low162 Ų162163.5 Ų163.575%0.7581%0.814SS**  cis-143.3146.314.2-65.2-95000113.7
613K37.5Very low35.2Very low186 Ų186161.6 Ų161.681%0.80982%0.815SS**  trans34.6133142.4-60.3179.5180177.10122.3
614T32.7Very low35.2Very low140 Ų140159.7 Ų159.786%0.85982%0.815SS**  trans66.2107150.1500000121.5
615S27.4Very low34.9Very low93 Ų93159.8 Ų159.865%0.6582%0.821SS**  161.8129.8112.5178.60000114.1
616R35.4Very low35.1Very low231 Ų231152.5 Ų152.587%0.87280%0.804SS**  trans30118.6151.2-67.5176.3-79.2-171.2-4.8121.3
617F31.9Very low35.3Very low201 Ų201153.9 Ų153.988%0.88280%0.802SS**  trans-53.1174.7150.8-58.1-78.2000114.3
618P44.7Very low35.6Very low115 Ų115156.8 Ų156.875%0.74780%0.804SS**  cis-130.9173.1-22.830.3-11.7000114
619S31.1Very low36.1Very low117 Ų117155 Ų15582%0.81880%0.8SS**  176.6134.8122.742.20000116.1
620R31.8Very low37Very low226 Ų226149.7 Ų149.785%0.85379%0.792SS**  trans48.5114.9145.1-158.9177.3-160.9-158.65121
621P38.6Very low37.7Very low123 Ų123153.8 Ų153.880%0.79980%0.799SS**PPolyproline II helixtrans-67.3142.1159.2-14.930000112.3
622V35.7Very low38.9Very low133 Ų133156.8 Ų156.881%0.80681%0.807SS**PPolyproline II helixtrans-92.5142.4168.3173.50000109.2
623Q42Very low40.1Very low193 Ų193154.6 Ų154.690%0.90281%0.807SS**PPolyproline II helixtrans-71.1131.8174.3-68.4170.5-30.200110.7
624S37.6Very low41.1Very low120 Ų120154 Ų15484%0.83981%0.809SS**  trans-124.9108162.260.90000108.5
625D38.8Very low42.9Very low167 Ų167151.4 Ų151.489%0.89379%0.789SS**  trans-84.5159.1-172.2-162.51.5000112.4
626G42.4Very low45.6Very low53 Ų53151.2 Ų151.255%0.54678%0.781SS.*  trans78.273.4156.200000118.3
627K41Very low47.9Very low211 Ų211147.8 Ų147.892%0.91778%0.775SS**  -166.4144.4128.4-101.3142.7-165.7172.70113.1
628Q41.6Very low50.5Low173 Ų173142.8 Ų142.881%0.80876%0.757SS**  trans-45.8126-172.9-68.1-70.90.600113.8V630Q628-V630 PolarHBondContact O-N 3.43Å
629P43.4Very low52.5Low113 Ų113140.4 Ų140.473%0.73474%0.74SS**  trans-70.3109.7163.529.6-30.8000108.7Y631P629-Y631 PolarHBondContact O-N 2.89Å
630V49Very low55.4Low132 Ų132138.8 Ų138.880%0.872%0.722SS**  trans-53.3133.7161.5174.60000107.5Q628 K632Q628-V630 PolarHBondContact O-N 3.43Å; V630-K632 PolarHBondContact O-N 2.9Å
631Y46.1Very low58.1Low223 Ų223134.3 Ų134.388%0.87571%0.711SS**  trans-67.972.9-169.2-140.1-86.8000112P629 P633P629-Y631 PolarHBondContact O-N 2.89Å; Y631-P633 WeakPolarHBondContact O-CD 3.41Å
632K56.2Low60.7Low181 Ų181133.5 Ų133.579%0.78770%0.696SS**  trans-63.7121.8161-76-171.6173.5-173.60106.6V630 M634V630-K632 PolarHBondContact O-N 2.9Å; K632-M634 VanDerWaalsContact C-N 3.32Å; K632-M634 PolarHBondContact O-N 3.49Å
633P56.6Low63.5Low116 Ų116131.6 Ų131.675%0.75368%0.68SS**  trans-62.5103.9161.127.4-31.1000106.3Y631 L635Y631-P633 WeakPolarHBondContact O-CD 3.41Å; P633-L635 PolarHBondContact O-N 3.09Å
634M58.3Low65.9Low174 Ų174126.4 Ų126.486%0.85766%0.661SS**  trans-71.388.8169.2-178.7168.7172.600106.1K632 D636K632-M634 VanDerWaalsContact C-N 3.32Å; K632-M634 PolarHBondContact O-N 3.49Å; M634-D636 PolarHBondContact O-N 2.77Å
635L71.2Confident68.5Low84 Ų84126 Ų12644%0.4465%0.646SS.*  trans-55.8123.6170.3-167.668.5000106.7P633 T639 L640 M643P633-L635 PolarHBondContact O-N 3.09Å; L635-T639 HydrophobicContact CD1-CG2 3.65Å; L635-T639 HydrophobicContact CD2-CG2 4.45Å; L635-T639 HydrophobicContact CG-CG2 4.01Å; L635-L640 HydrophobicContact CD2-CB 4.07Å; L635-L640 HydrophobicContact CD2-CD1 4.22Å; L635-L640 HydrophobicContact CG-CB 4.47Å; L635-M643 HydrophobicContact CD2-CE 3.76Å; L635-M643 HydrophobicContact CD2-SD 4.46Å
636D85.3Confident71.1Confident90 Ų90123.1 Ų123.148%0.48163%0.631SS.*  trans-54.6143.1-177.917046.4000110.4M634 L638 T639 L640M634-D636 PolarHBondContact O-N 2.77Å; D636-L638 VanDerWaalsContact C-N 3.26Å; D636-L638 PolarHBondContact O-N 2.99Å; D636-L638 WeakPolarHBondContact OD2-CB 3.4Å; D636-T639 CarbonylContact O-C 3.53Å; D636-T639 WeakPolarHBondContact O-CA 3.38Å; D636-T639 WeakPolarHBondContact O-CB 3.34Å; D636-T639 PolarHBondContact O-N 3.43Å; D636-L640 PolarHBondContact O-N 3.4Å
637E82.8Confident73.6Confident159 Ų159124.2 Ų124.274%0.74363%0.629SS**Hα-helixtrans-61.3-39.5-169.9-168.9167.4-172.100110.8T639 L640 E641E637-T639 VanDerWaalsContact C-N 3.34Å; E637-T639 PolarHBondContact O-N 3.37Å; E637-L640 PolarHBondContact O-N 3.28Å; E637-E641 WeakPolarHBondContact O-CB 3.44Å; E637-E641 PolarHBondContact O-N 2.97Å
638L87.1Confident76.1Confident95 Ų95116 Ų11650%0.49760%0.599SS.*Hα-helixtrans-62.8-37.7171.9-16891.3000112.4D636 E641 H642D636-L638 VanDerWaalsContact C-N 3.26Å; D636-L638 PolarHBondContact O-N 2.99Å; D636-L638 WeakPolarHBondContact OD2-CB 3.4Å; L638-E641 PolarHBondContact O-N 2.85Å; L638-H642 WeakPolarHBondContact O-CB 3.43Å; L638-H642 VanDerWaalsContact O-CG 3.24Å; L638-H642 PolarHBondContact O-N 2.97Å; L638-H642 PolarHBondContact O-ND1 3.35Å; L638-H642 VanDerWaalsContact O-ND1 3.15Å
639T86.4Confident78.7Confident65 Ų65110.8 Ų110.840%0.39958%0.578SS.*Hα-helixtrans-73.4-36.9179.1-56.70000111.4L635 D636 E637 M643L635-T639 HydrophobicContact CD1-CG2 3.65Å; L635-T639 HydrophobicContact CD2-CG2 4.45Å; L635-T639 HydrophobicContact CG-CG2 4.01Å; D636-T639 CarbonylContact O-C 3.53Å; D636-T639 WeakPolarHBondContact O-CA 3.38Å; D636-T639 WeakPolarHBondContact O-CB 3.34Å; D636-T639 PolarHBondContact O-N 3.43Å; E637-T639 VanDerWaalsContact C-N 3.34Å; E637-T639 PolarHBondContact O-N 3.37Å; T639-M643 VanDerWaalsContact O-CB 3.3Å; T639-M643 WeakPolarHBondContact O-CB 3.3Å; T639-M643 PolarHBondContact O-N 2.9Å
640L91.3Very high81.2Confident83 Ų83110 Ų11044%0.43557%0.567SS.*Hα-helixtrans-68.3-38.1171.7179.858.6000111.4L635 D636 E637 M643 T644L635-L640 HydrophobicContact CD2-CB 4.07Å; L635-L640 HydrophobicContact CD2-CD1 4.22Å; L635-L640 HydrophobicContact CG-CB 4.47Å; D636-L640 PolarHBondContact O-N 3.4Å; E637-L640 PolarHBondContact O-N 3.28Å; L640-M643 HydrophobicContact CD1-CE 3.69Å; L640-T644 VanDerWaalsContact O-CB 3.27Å; L640-T644 WeakPolarHBondContact O-CB 3.44Å; L640-T644 PolarHBondContact O-N 3.35Å; L640-T644 PolarHBondContact O-OG1 2.98Å
641E88.6Confident83.3Confident132 Ų132112.8 Ų112.862%0.61756%0.563SS**Hα-helixtrans-65.4-48.1175.1-173.3169.6-148.800111.3E637 L638 T644 Q645E637-E641 WeakPolarHBondContact O-CB 3.44Å; E637-E641 PolarHBondContact O-N 2.97Å; L638-E641 PolarHBondContact O-N 2.85Å; E641-T644 PolarHBondContact O-N 3.49Å; E641-Q645 WeakPolarHBondContact O-CB 3.43Å; E641-Q645 PolarHBondContact O-N 3.32Å
642H93.6Very high85.7Confident106 Ų106106.6 Ų106.649%0.49155%0.545SS..Hα-helixtrans-58.8-47.9173-70.6144.7000112.3L638 T644 Q645 D646L638-H642 WeakPolarHBondContact O-CB 3.43Å; L638-H642 VanDerWaalsContact O-CG 3.24Å; L638-H642 PolarHBondContact O-N 2.97Å; L638-H642 PolarHBondContact O-ND1 3.35Å; L638-H642 VanDerWaalsContact O-ND1 3.15Å; H642-T644 VanDerWaalsContact C-N 3.27Å; H642-T644 PolarHBondContact O-N 3.49Å; H642-Q645 CarbonylContact O-C 3.59Å; H642-Q645 WeakPolarHBondContact O-CB 3.43Å; H642-Q645 PolarHBondContact O-N 2.81Å; H642-Q645 VanDerWaalsContact O-N 3.11Å; H642-D646 PolarHBondContact O-N 3.16Å
643M93.9Very high87.5Confident94 Ų94103.1 Ų103.146%0.46353%0.532SS..Hα-helixtrans-61.9-36.1176.7-174.9-179.965.100112L635 T639 L640 C647L635-M643 HydrophobicContact CD2-CE 3.76Å; L635-M643 HydrophobicContact CD2-SD 4.46Å; T639-M643 VanDerWaalsContact O-CB 3.3Å; T639-M643 WeakPolarHBondContact O-CB 3.3Å; T639-M643 PolarHBondContact O-N 2.9Å; L640-M643 HydrophobicContact CD1-CE 3.69Å; M643-C647 VanDerWaalsContact O-CB 3.32Å; M643-C647 WeakPolarHBondContact O-CB 3.36Å; M643-C647 PolarHBondContact O-N 3.33Å; M643-C647 PolarHBondContact O-SG 2.92Å
644T92.9Very high89.4Confident83 Ų83102.5 Ų102.551%0.50952%0.522SS..Hα-helixtrans-68-39.2174.8-58.60000111.3L640 E641 H642 S648L640-T644 VanDerWaalsContact O-CB 3.27Å; L640-T644 WeakPolarHBondContact O-CB 3.44Å; L640-T644 PolarHBondContact O-N 3.35Å; L640-T644 PolarHBondContact O-OG1 2.98Å; E641-T644 PolarHBondContact O-N 3.49Å; H642-T644 VanDerWaalsContact C-N 3.27Å; H642-T644 PolarHBondContact O-N 3.49Å; T644-S648 WeakPolarHBondContact O-CB 3.47Å; T644-S648 PolarHBondContact O-N 2.95Å
645Q92.6Very high91Very high112 Ų11299.2 Ų99.252%0.52351%0.507SS..Hα-helixtrans-64.5-45.8174.7-178.161.71700111.2E641 H642 S648 V649E641-Q645 WeakPolarHBondContact O-CB 3.43Å; E641-Q645 PolarHBondContact O-N 3.32Å; H642-Q645 CarbonylContact O-C 3.59Å; H642-Q645 WeakPolarHBondContact O-CB 3.43Å; H642-Q645 PolarHBondContact O-N 2.81Å; H642-Q645 VanDerWaalsContact O-N 3.11Å; Q645-S648 CarbonylContact O-C 3.56Å; Q645-S648 WeakPolarHBondContact O-CA 3.33Å; Q645-S648 WeakPolarHBondContact O-CB 3.39Å; Q645-S648 PolarHBondContact O-N 3.32Å; Q645-S648 PolarHBondContact O-OG 2.68Å; Q645-V649 WeakPolarHBondContact O-CG2 3.38Å; Q645-V649 PolarHBondContact O-N 3.36Å
646D93.9Very high91.9Very high107 Ų107103.8 Ų103.857%0.57252%0.519SS*.Hα-helixtrans-63.9-43.6176.2-70.9-25.3000111.6H642 S648 V649 L650H642-D646 PolarHBondContact O-N 3.16Å; D646-S648 PolarHBondContact O-N 3Å; D646-V649 PolarHBondContact O-N 2.81Å; D646-L650 WeakPolarHBondContact O-CB 3.33Å; D646-L650 PolarHBondContact O-N 3.46Å
647C93.9Very high92.3Very high75 Ų75103.9 Ų103.951%0.50752%0.518SS..Hα-helixtrans-61.1-32.2170.3-74.50000112.4M643 R651M643-C647 VanDerWaalsContact O-CB 3.32Å; M643-C647 WeakPolarHBondContact O-CB 3.36Å; M643-C647 PolarHBondContact O-N 3.33Å; M643-C647 PolarHBondContact O-SG 2.92Å; C647-R651 WeakPolarHBondContact O-CB 3.48Å; C647-R651 PolarHBondContact O-N 2.78Å
648S93.9Very high92.6Very high40 Ų40102.1 Ų102.128%0.2851%0.508SS..Hα-helixtrans-70.9-39.6173.991.20000112T644 Q645 D646 R651 N652T644-S648 WeakPolarHBondContact O-CB 3.47Å; T644-S648 PolarHBondContact O-N 2.95Å; Q645-S648 CarbonylContact O-C 3.56Å; Q645-S648 WeakPolarHBondContact O-CA 3.33Å; Q645-S648 WeakPolarHBondContact O-CB 3.39Å; Q645-S648 PolarHBondContact O-N 3.32Å; Q645-S648 PolarHBondContact O-OG 2.68Å; D646-S648 PolarHBondContact O-N 3Å; S648-R651 PolarHBondContact O-N 3.39Å; S648-N652 WeakPolarHBondContact O-CB 3.35Å; S648-N652 PolarHBondContact O-N 3.43Å; S648-N652 PolarHBondContact O-ND2 2.94Å
649V95.3Very high92.6Very high63 Ų63101.6 Ų101.638%0.38251%0.509SS..Hα-helixtrans-66.5-47.9176171.70000109.8Q645 D646 R651 N652 Q653Q645-V649 WeakPolarHBondContact O-CG2 3.38Å; Q645-V649 PolarHBondContact O-N 3.36Å; D646-V649 PolarHBondContact O-N 2.81Å; V649-R651 VanDerWaalsContact C-N 3.34Å; V649-R651 PolarHBondContact O-N 3.2Å; V649-N652 PolarHBondContact O-N 3.18Å; V649-N652 VanDerWaalsContact O-N 3.14Å; V649-Q653 WeakPolarHBondContact O-CG 3.33Å; V649-Q653 PolarHBondContact O-N 2.89Å
650L96.1Very high92.7Very high95 Ų95103.7 Ų103.750%0.49752%0.517SS..Hα-helixtrans-60.3-41.9175.1-179.659.9000111.6D646 N652 Q653 L654D646-L650 WeakPolarHBondContact O-CB 3.33Å; D646-L650 PolarHBondContact O-N 3.46Å; L650-N652 VanDerWaalsContact C-N 3.35Å; L650-N652 PolarHBondContact O-N 2.87Å; L650-Q653 PolarHBondContact O-N 2.77Å; L650-L654 HydrophobicContact CD1-CD1 4.25Å; L650-L654 HydrophobicContact CD1-CG 4.39Å; L650-L654 HydrophobicContact CG-CD1 4.03Å; L650-L654 WeakPolarHBondContact O-CB 3.21Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.23Å
651R94.3Very high92.4Very high192 Ų192104.6 Ų104.673%0.72552%0.522SS*.Hα-helixtrans-62.4-39.6173.8-179.3176.8178.6173.50.6112.2C647 S648 V649 L655C647-R651 WeakPolarHBondContact O-CB 3.48Å; C647-R651 PolarHBondContact O-N 2.78Å; S648-R651 PolarHBondContact O-N 3.39Å; V649-R651 VanDerWaalsContact C-N 3.34Å; V649-R651 PolarHBondContact O-N 3.2Å; R651-L655 VanDerWaalsContact O-CB 3.31Å; R651-L655 WeakPolarHBondContact O-CB 3.34Å; R651-L655 PolarHBondContact O-N 3.15Å
652N94.9Very high92Very high92 Ų92102.7 Ų102.749%0.49251%0.513SS..Hα-helixtrans-69.8-36.7175.7-82.6-76000112.2S648 V649 L650 L655 R656S648-N652 WeakPolarHBondContact O-CB 3.35Å; S648-N652 PolarHBondContact O-N 3.43Å; S648-N652 PolarHBondContact O-ND2 2.94Å; V649-N652 PolarHBondContact O-N 3.18Å; V649-N652 VanDerWaalsContact O-N 3.14Å; L650-N652 VanDerWaalsContact C-N 3.35Å; L650-N652 PolarHBondContact O-N 2.87Å; N652-L655 PolarHBondContact O-N 2.82Å; N652-R656 WeakPolarHBondContact O-CG 3.42Å; N652-R656 PolarHBondContact O-N 3.43Å
653Q95.4Very high90.9Very high109 Ų109103.8 Ų103.851%0.50952%0.522SS..Hα-helixtrans-65.8-46.2172.2-70.4-177.421.100111.4V649 L650 L655 R656 L657V649-Q653 WeakPolarHBondContact O-CG 3.33Å; V649-Q653 PolarHBondContact O-N 2.89Å; L650-Q653 PolarHBondContact O-N 2.77Å; Q653-L655 VanDerWaalsContact C-N 3.3Å; Q653-L655 PolarHBondContact O-N 2.69Å; Q653-R656 PolarHBondContact O-N 3.23Å; Q653-L657 WeakPolarHBondContact O-CB 3.49Å; Q653-L657 WeakPolarHBondContact O-CG 3.43Å; Q653-L657 PolarHBondContact O-N 3.39Å
654L95.8Very high89.6Confident103 Ų103106.4 Ų106.454%0.53953%0.533SS..Hα-helixtrans-61-36.2173.9-78.6165.4000112.6L650 K658L650-L654 HydrophobicContact CD1-CD1 4.25Å; L650-L654 HydrophobicContact CD1-CG 4.39Å; L650-L654 HydrophobicContact CG-CD1 4.03Å; L650-L654 WeakPolarHBondContact O-CB 3.21Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.23Å; L654-K658 WeakPolarHBondContact O-CB 3.39Å; L654-K658 PolarHBondContact O-N 2.68Å
655L92.5Very high88Confident105 Ų105110.6 Ų110.655%0.5555%0.547SS..Hα-helixtrans-68.4-40.7175.3-16372.1000111.4R651 N652 Q653 K658 T659R651-L655 VanDerWaalsContact O-CB 3.31Å; R651-L655 WeakPolarHBondContact O-CB 3.34Å; R651-L655 PolarHBondContact O-N 3.15Å; N652-L655 PolarHBondContact O-N 2.82Å; Q653-L655 VanDerWaalsContact C-N 3.3Å; Q653-L655 PolarHBondContact O-N 2.69Å; L655-K658 PolarHBondContact O-N 3.27Å; L655-T659 PolarHBondContact O-N 3.14Å; L655-T659 PolarHBondContact O-OG1 3Å
656R89.7Confident86.1Confident180 Ų180110.2 Ų110.268%0.67955%0.553SS**Hα-helixtrans-64.6-45.7173.7-74.5175.4-179.8-146.5-1.1112.3N652 Q653 K658 T659 L660N652-R656 WeakPolarHBondContact O-CG 3.42Å; N652-R656 PolarHBondContact O-N 3.43Å; Q653-R656 PolarHBondContact O-N 3.23Å; R656-K658 VanDerWaalsContact C-N 3.32Å; R656-K658 PolarHBondContact O-N 3.29Å; R656-T659 WeakPolarHBondContact CA-OG1 3.41Å; R656-T659 PolarHBondContact O-N 3.08Å; R656-T659 PolarHBondContact O-OG1 2.88Å; R656-L660 WeakPolarHBondContact O-CG 3.31Å; R656-L660 PolarHBondContact O-N 2.87Å
657L94.4Very high83.8Confident91 Ų91107.5 Ų107.548%0.47655%0.549SS..Hα-helixtrans-60.7-42.5174.5-72.3169.2000110.6Q653 T659 L660 L661Q653-L657 WeakPolarHBondContact O-CB 3.49Å; Q653-L657 WeakPolarHBondContact O-CG 3.43Å; Q653-L657 PolarHBondContact O-N 3.39Å; L657-T659 PolarHBondContact O-N 3.27Å; L657-L660 PolarHBondContact O-N 2.64Å; L657-L661 WeakPolarHBondContact O-CB 3.36Å; L657-L661 VanDerWaalsContact O-CG 3.27Å; L657-L661 WeakPolarHBondContact O-CG 3.29Å; L657-L661 PolarHBondContact O-N 3.32Å
658K88.6Confident81.2Confident123 Ų123108.6 Ų108.654%0.53556%0.558SS.*Hα-helixtrans-60.3-45172.3-179173.5177.4177.50111.9L654 L655 R656 L660 Q662L654-K658 WeakPolarHBondContact O-CB 3.39Å; L654-K658 PolarHBondContact O-N 2.68Å; L655-K658 PolarHBondContact O-N 3.27Å; R656-K658 VanDerWaalsContact C-N 3.32Å; R656-K658 PolarHBondContact O-N 3.29Å; K658-L660 VanDerWaalsContact C-N 3.29Å; K658-L660 PolarHBondContact O-N 2.92Å; K658-Q662 WeakPolarHBondContact O-CB 3.4Å; K658-Q662 PolarHBondContact O-N 2.99Å
659T87.1Confident79.1Confident84 Ų84113 Ų11352%0.51559%0.586SS.*Hα-helixtrans-66.3-30.7178.547.10000113.1L655 R656 L657 L663L655-T659 PolarHBondContact O-N 3.14Å; L655-T659 PolarHBondContact O-OG1 3Å; R656-T659 WeakPolarHBondContact CA-OG1 3.41Å; R656-T659 PolarHBondContact O-N 3.08Å; R656-T659 PolarHBondContact O-OG1 2.88Å; L657-T659 PolarHBondContact O-N 3.27Å; T659-L663 PolarHBondContact O-N 2.89Å; T659-L663 VanDerWaalsContact O-N 3.13Å
660L88.3Confident76.7Confident109 Ų109113.9 Ų113.957%0.57160%0.599SS**Hα-helixtrans-72.2-52174.3-70.3166.6000111.2R656 L657 K658 Q662 L663 E664R656-L660 WeakPolarHBondContact O-CG 3.31Å; R656-L660 PolarHBondContact O-N 2.87Å; L657-L660 PolarHBondContact O-N 2.64Å; K658-L660 VanDerWaalsContact C-N 3.29Å; K658-L660 PolarHBondContact O-N 2.92Å; L660-Q662 PolarHBondContact O-N 3.29Å; L660-L663 WeakPolarHBondContact O-CA 3.19Å; L660-L663 VanDerWaalsContact O-CB 3.29Å; L660-L663 WeakPolarHBondContact O-CB 3.38Å; L660-L663 PolarHBondContact O-N 3.42Å; L660-E664 PolarHBondContact O-N 2.87Å
661L84.6Confident74.3Confident101 Ų101117.1 Ų117.153%0.52962%0.617SS.*Hα-helixtrans-60.1-34.1176.5-70168000112.1L657 E664 E665L657-L661 WeakPolarHBondContact O-CB 3.36Å; L657-L661 VanDerWaalsContact O-CG 3.27Å; L657-L661 WeakPolarHBondContact O-CG 3.29Å; L657-L661 PolarHBondContact O-N 3.32Å; L661-E664 PolarHBondContact O-N 3.46Å; L661-E665 VanDerWaalsContact O-CB 3.23Å; L661-E665 WeakPolarHBondContact O-CB 3.29Å; L661-E665 PolarHBondContact O-N 2.68Å
662Q79.4Confident72.2Confident92 Ų92114.7 Ų114.743%0.4362%0.624SS.*Hα-helixtrans-78.8-21.1176.8-166.2163.40.900112.5K658 L660 T666K658-Q662 WeakPolarHBondContact O-CB 3.4Å; K658-Q662 PolarHBondContact O-N 2.99Å; L660-Q662 PolarHBondContact O-N 3.29Å; Q662-T666 VanDerWaalsContact O-CB 3.3Å; Q662-T666 WeakPolarHBondContact O-CB 3.49Å; Q662-T666 PolarHBondContact O-N 2.99Å; Q662-T666 VanDerWaalsContact O-N 3.12Å; Q662-T666 PolarHBondContact O-OG1 2.86Å
663L71.4Confident69.7Low130 Ų130114.9 Ų114.968%0.68163%0.631SS**Hα-helixtrans-70.9-41.3165.1-125.270000110.8T659 L660 G667T659-L663 PolarHBondContact O-N 2.89Å; T659-L663 VanDerWaalsContact O-N 3.13Å; L660-L663 WeakPolarHBondContact O-CA 3.19Å; L660-L663 VanDerWaalsContact O-CB 3.29Å; L660-L663 WeakPolarHBondContact O-CB 3.38Å; L660-L663 PolarHBondContact O-N 3.42Å; L663-G667 WeakPolarHBondContact O-CA 3.14Å; L663-G667 PolarHBondContact O-N 3.08Å
664E65.8Low67.4Low149 Ų149118 Ų11870%0.69665%0.645SS**Hα-helixtrans-66.3-44.9176.7-169.8173.1-168.300111.7L660 L661 G667L660-E664 PolarHBondContact O-N 2.87Å; L661-E664 PolarHBondContact O-N 3.46Å; E664-G667 PolarHBondContact O-N 2.86Å
665E61Low65.3Low170 Ų170120.5 Ų120.579%0.79465%0.654SS**Hα-helixtrans-71.9-30.9178.9-173.4177.4-155.400113.3L661 G667L661-E665 VanDerWaalsContact O-CB 3.23Å; L661-E665 WeakPolarHBondContact O-CB 3.29Å; L661-E665 PolarHBondContact O-N 2.68Å; E665-G667 VanDerWaalsContact C-N 3.3Å
666T51.8Low63.4Low105 Ų105119.9 Ų119.964%0.64466%0.655SS**THydrogen-bonded Turntrans-87.1-3.4172.2-37.90000111.9Q662 S668Q662-T666 VanDerWaalsContact O-CB 3.3Å; Q662-T666 WeakPolarHBondContact O-CB 3.49Å; Q662-T666 PolarHBondContact O-N 2.99Å; Q662-T666 VanDerWaalsContact O-N 3.12Å; Q662-T666 PolarHBondContact O-OG1 2.86Å; T666-S668 PolarHBondContact O-N 3.34Å
667G46.4Very low61.7Low49 Ų49118.5 Ų118.551%0.50566%0.656SS.*  trans-76.452.2-175.200000114.7L663 E664 E665L663-G667 WeakPolarHBondContact O-CA 3.14Å; L663-G667 PolarHBondContact O-N 3.08Å; E664-G667 PolarHBondContact O-N 2.86Å; E665-G667 VanDerWaalsContact C-N 3.3Å
668S38.2Very low59.9Low99 Ų99119.1 Ų119.169%0.69266%0.66SS**  trans-65.6126.8167.9-170.50000109.5T666 A670T666-S668 PolarHBondContact O-N 3.34Å; S668-A670 VanDerWaalsContact C-N 3.31Å; S668-A670 PolarHBondContact O-N 2.7Å
669P50.7Low58.9Low133 Ų133118.1 Ų118.186%0.86466%0.66SS**SBendtrans-82.468.1-166.733.4-37.4000113
670A44.7Very low58.5Low80 Ų80117.9 Ų117.966%0.66166%0.659SS**SBendtrans-151.8108.5171.100000111.9S668S668-A670 VanDerWaalsContact C-N 3.31Å; S668-A670 PolarHBondContact O-N 2.7Å
671D46Very low58.1Low163 Ų163115 Ų11587%0.87265%0.651SS**SBendtrans63.9149.3173.9-88.6-46.4000119
672V48.8Very low58.1Low142 Ų142113.6 Ų113.686%0.86165%0.647SS**  trans64.858.8169.8-153.40000118.1
673C44Very low58.5Low95 Ų95112.9 Ų112.964%0.64265%0.651SS**  trans-158.662.3151.9-154.80000115.8
674E46.5Very low59.5Low174 Ų174112.8 Ų112.881%0.81365%0.647SS**SBendtrans-106.7-23.5164.1-67.2-160142.200113.3T676E674-T676 PolarHBondContact O-N 3.25Å
675Q50.8Low60.8Low157 Ų157111 Ų11173%0.73464%0.641SS**Hα-helixtrans-75-30.9-165.6-162.2162.22700114.9D679Q675-D679 PolarHBondContact O-N 3.08Å
676T52.7Low62.3Low91 Ų91107.7 Ų107.756%0.55863%0.625SS**Hα-helixtrans-84-23.3-173.346.20000114.8E674E674-T676 PolarHBondContact O-N 3.25Å
677E53.6Low64.4Low152 Ų152105.3 Ų105.371%0.7162%0.616SS**Hα-helixtrans-74-43.9170.3-62.1-153.314400109.7D679 T680 A681E677-D679 PolarHBondContact O-N 3.3Å; E677-T680 PolarHBondContact O-N 3.05Å; E677-T680 PolarHBondContact O-OG1 3.26Å; E677-A681 PolarHBondContact O-N 3.4Å
678D57.8Low66.8Low104 Ų104107.9 Ų107.956%0.55662%0.618SS**Hα-helixtrans-55.2-47.2176-110.75.5000112.5T680 A681 V682D678-T680 PolarHBondContact O-N 2.8Å; D678-T680 VanDerWaalsContact O-N 3.13Å; D678-A681 PolarHBondContact O-N 3.11Å; D678-A681 VanDerWaalsContact O-N 3.07Å; D678-V682 VanDerWaalsContact O-CB 3.28Å; D678-V682 WeakPolarHBondContact O-CB 3.48Å; D678-V682 VanDerWaalsContact O-CG2 3.26Å; D678-V682 WeakPolarHBondContact O-CG2 3.27Å; D678-V682 PolarHBondContact O-N 2.92Å
679D68.3Low69.6Low101 Ų101108 Ų10854%0.5461%0.61SS.*Hα-helixtrans-54.7-35.6176.1-86.4-29.1000112.8Q675 E677 S683Q675-D679 PolarHBondContact O-N 3.08Å; E677-D679 PolarHBondContact O-N 3.3Å; D679-S683 VanDerWaalsContact O-CB 3.28Å; D679-S683 WeakPolarHBondContact O-CB 3.5Å; D679-S683 PolarHBondContact O-N 3.33Å; D679-S683 PolarHBondContact O-OG 3.41Å
680T76.9Confident71.8Confident79 Ų79106.5 Ų106.549%0.48559%0.589SS.*Hα-helixtrans-81.1-33177.772.70000113.1E677 D678 Q684E677-T680 PolarHBondContact O-N 3.05Å; E677-T680 PolarHBondContact O-OG1 3.26Å; D678-T680 PolarHBondContact O-N 2.8Å; D678-T680 VanDerWaalsContact O-N 3.13Å; T680-Q684 WeakPolarHBondContact O-CG 3.31Å; T680-Q684 PolarHBondContact O-N 2.84Å; T680-Q684 VanDerWaalsContact O-N 3.08Å; T680-Q684 PolarHBondContact O-NE2 3.3Å
681A80.3Confident74.3Confident48 Ų48108.2 Ų108.240%0.39758%0.583SS.*Hα-helixtrans-70.9-43.2174.800000111.2E677 D678 Q684 M685E677-A681 PolarHBondContact O-N 3.4Å; D678-A681 PolarHBondContact O-N 3.11Å; D678-A681 VanDerWaalsContact O-N 3.07Å; A681-Q684 PolarHBondContact O-N 2.99Å; A681-M685 WeakPolarHBondContact O-CB 3.42Å; A681-M685 PolarHBondContact O-N 3.47Å
682V85.3Confident76.8Confident73 Ų73103.5 Ų103.544%0.44256%0.561SS.*Hα-helixtrans-60.8-44.2171.6171.40000110.5D678 Q684 M685 E686D678-V682 VanDerWaalsContact O-CB 3.28Å; D678-V682 WeakPolarHBondContact O-CB 3.48Å; D678-V682 VanDerWaalsContact O-CG2 3.26Å; D678-V682 WeakPolarHBondContact O-CG2 3.27Å; D678-V682 PolarHBondContact O-N 2.92Å; V682-Q684 VanDerWaalsContact C-N 3.33Å; V682-Q684 PolarHBondContact O-N 2.79Å; V682-M685 PolarHBondContact O-N 3.17Å; V682-E686 WeakPolarHBondContact O-CB 3.34Å; V682-E686 PolarHBondContact O-N 3.13Å
683S87.9Confident79.1Confident76 Ų76103.2 Ų103.253%0.53155%0.55SS.*Hα-helixtrans-60.2-40174.9-65.90000112.8D679 A687D679-S683 VanDerWaalsContact O-CB 3.28Å; D679-S683 WeakPolarHBondContact O-CB 3.5Å; D679-S683 PolarHBondContact O-N 3.33Å; D679-S683 PolarHBondContact O-OG 3.41Å; S683-A687 WeakPolarHBondContact O-CB 3.36Å; S683-A687 PolarHBondContact O-N 2.81Å; S683-A687 VanDerWaalsContact O-N 3.11Å
684Q90.9Very high81.7Confident128 Ų128103.2 Ų103.260%0.59855%0.547SS*.Hα-helixtrans-70.4-41.1175.1-74.3174.568.400112.1T680 A681 V682 A687 L688T680-Q684 WeakPolarHBondContact O-CG 3.31Å; T680-Q684 PolarHBondContact O-N 2.84Å; T680-Q684 VanDerWaalsContact O-N 3.08Å; T680-Q684 PolarHBondContact O-NE2 3.3Å; A681-Q684 PolarHBondContact O-N 2.99Å; V682-Q684 VanDerWaalsContact C-N 3.33Å; V682-Q684 PolarHBondContact O-N 2.79Å; Q684-A687 PolarHBondContact O-N 3.42Å; Q684-L688 WeakPolarHBondContact O-CG 3.33Å; Q684-L688 PolarHBondContact O-N 3.07Å
685M93.4Very high84.2Confident112 Ų11299 Ų9955%0.55253%0.529SS*.Hα-helixtrans-64.5-41.3176.4-179.3164.558.800111.7A681 V682 L688 I689A681-M685 WeakPolarHBondContact O-CB 3.42Å; A681-M685 PolarHBondContact O-N 3.47Å; V682-M685 PolarHBondContact O-N 3.17Å; M685-L688 PolarHBondContact O-N 2.94Å; M685-I689 HydrophobicContact CG-CD1 3.92Å; M685-I689 WeakPolarHBondContact O-CB 3.28Å; M685-I689 VanDerWaalsContact O-CG1 3.24Å; M685-I689 WeakPolarHBondContact O-CG1 3.44Å; M685-I689 PolarHBondContact O-N 3.2Å
686E93.9Very high86.4Confident101 Ų10199.6 Ų99.647%0.47253%0.525SS..Hα-helixtrans-65.3-38.8175.7-158.4-143-175.300111.4V682 I689 K690V682-E686 WeakPolarHBondContact O-CB 3.34Å; V682-E686 PolarHBondContact O-N 3.13Å; E686-I689 PolarHBondContact O-N 3.03Å; E686-K690 WeakPolarHBondContact O-CB 3.34Å; E686-K690 WeakPolarHBondContact O-CD 3.28Å; E686-K690 VanDerWaalsContact O-CG 3.27Å; E686-K690 WeakPolarHBondContact O-CG 3.26Å; E686-K690 PolarHBondContact O-N 3.39Å; E686-K690 WeakPolarHBondContact OE1-CE 3.36Å; E686-K690 IonicContact OE1-NZ 2.68Å; E686-K690 PolarHBondContact OE1-NZ 3.48Å; E686-K690 IonicContact OE2-NZ 2.64Å; E686-K690 PolarHBondContact OE2-NZ 3.44Å
687A94.4Very high88.6Confident54 Ų5499.5 Ų99.545%0.44652%0.518SS..Hα-helixtrans-62.9-44.2172.400000112.2S683 Q684 K690 E691S683-A687 WeakPolarHBondContact O-CB 3.36Å; S683-A687 PolarHBondContact O-N 2.81Å; S683-A687 VanDerWaalsContact O-N 3.11Å; Q684-A687 PolarHBondContact O-N 3.42Å; A687-K690 PolarHBondContact O-N 3.03Å; A687-E691 PolarHBondContact O-N 2.75Å
688L97.3Very high90.7Very high104 Ų10496.3 Ų96.355%0.54550%0.503SS..Hα-helixtrans-64.5-39.1175.5-72.7168000112.3Q684 M685 E691 V692Q684-L688 WeakPolarHBondContact O-CG 3.33Å; Q684-L688 PolarHBondContact O-N 3.07Å; M685-L688 PolarHBondContact O-N 2.94Å; L688-E691 PolarHBondContact O-N 3.48Å; L688-V692 WeakPolarHBondContact O-CB 3.24Å; L688-V692 VanDerWaalsContact O-CG2 3.31Å; L688-V692 WeakPolarHBondContact O-CG2 3.48Å; L688-V692 PolarHBondContact O-N 2.82Å
689I97.1Very high92.6Very high102 Ų10296.1 Ų96.152%0.52350%0.501SS..Hα-helixtrans-61.9-44.1174.3-72.2163.7000110.4M685 E686 V692 Q693M685-I689 HydrophobicContact CG-CD1 3.92Å; M685-I689 WeakPolarHBondContact O-CB 3.28Å; M685-I689 VanDerWaalsContact O-CG1 3.24Å; M685-I689 WeakPolarHBondContact O-CG1 3.44Å; M685-I689 PolarHBondContact O-N 3.2Å; E686-I689 PolarHBondContact O-N 3.03Å; I689-V692 PolarHBondContact O-N 3.2Å; I689-Q693 WeakPolarHBondContact O-CB 3.48Å; I689-Q693 PolarHBondContact O-N 2.93Å
690K97.4Very high94Very high101 Ų10196.8 Ų96.844%0.43950%0.496SS..Hα-helixtrans-63-43175.3-72.3164.8-178.4172.20111.8E686 A687 Q693 V694E686-K690 WeakPolarHBondContact O-CB 3.34Å; E686-K690 WeakPolarHBondContact O-CD 3.28Å; E686-K690 VanDerWaalsContact O-CG 3.27Å; E686-K690 WeakPolarHBondContact O-CG 3.26Å; E686-K690 PolarHBondContact O-N 3.39Å; E686-K690 WeakPolarHBondContact OE1-CE 3.36Å; E686-K690 IonicContact OE1-NZ 2.68Å; E686-K690 PolarHBondContact OE1-NZ 3.48Å; E686-K690 IonicContact OE2-NZ 2.64Å; E686-K690 PolarHBondContact OE2-NZ 3.44Å; A687-K690 PolarHBondContact O-N 3.03Å; K690-Q693 PolarHBondContact O-N 3.44Å; K690-V694 WeakPolarHBondContact O-CG2 3.34Å; K690-V694 PolarHBondContact O-N 2.79Å
691E97.3Very high95Very high115 Ų11594.3 Ų94.354%0.53749%0.487SS..Hα-helixtrans-63.1-47.5176-172.8175.717100111.7A687 L688 Q693 V694 L695A687-E691 PolarHBondContact O-N 2.75Å; L688-E691 PolarHBondContact O-N 3.48Å; E691-Q693 VanDerWaalsContact C-N 3.26Å; E691-Q693 PolarHBondContact O-N 2.79Å; E691-V694 PolarHBondContact O-N 3.47Å; E691-V694 VanDerWaalsContact O-N 3.14Å; E691-L695 HydrophobicContact CG-CD1 4.06Å; E691-L695 HydrophobicContact CG-CG 4.43Å; E691-L695 WeakPolarHBondContact O-CG 3.36Å; E691-L695 PolarHBondContact O-N 2.88Å
692V98.2Very high95.9Very high65 Ų6598.5 Ų98.539%0.39449%0.492SS..Hα-helixtrans-60.4-35.7175.3169.10000111.6L688 I689 R696L688-V692 WeakPolarHBondContact O-CB 3.24Å; L688-V692 VanDerWaalsContact O-CG2 3.31Å; L688-V692 WeakPolarHBondContact O-CG2 3.48Å; L688-V692 PolarHBondContact O-N 2.82Å; I689-V692 PolarHBondContact O-N 3.2Å; V692-R696 WeakPolarHBondContact O-CB 3.37Å; V692-R696 WeakPolarHBondContact O-CD 3.42Å; V692-R696 WeakPolarHBondContact O-CG 3.4Å; V692-R696 PolarHBondContact O-N 2.7Å
693Q97.8Very high96.5Very high136 Ų13699 Ų9964%0.63649%0.492SS*.Hα-helixtrans-66.5-42.2174.7-169.3178.317.500112.2I689 K690 E691 R696 E697I689-Q693 WeakPolarHBondContact O-CB 3.48Å; I689-Q693 PolarHBondContact O-N 2.93Å; K690-Q693 PolarHBondContact O-N 3.44Å; E691-Q693 VanDerWaalsContact C-N 3.26Å; E691-Q693 PolarHBondContact O-N 2.79Å; Q693-R696 PolarHBondContact O-N 2.98Å; Q693-E697 PolarHBondContact O-N 3.44Å
694V97.7Very high97Very high94 Ų94100.9 Ų100.957%0.5749%0.491SS*.Hα-helixtrans-63.3-48.8174.4170.90000110.8K690 E691 R696 E697 E698K690-V694 WeakPolarHBondContact O-CG2 3.34Å; K690-V694 PolarHBondContact O-N 2.79Å; E691-V694 PolarHBondContact O-N 3.47Å; E691-V694 VanDerWaalsContact O-N 3.14Å; V694-R696 PolarHBondContact O-N 2.86Å; V694-E697 PolarHBondContact O-N 3.38Å; V694-E697 VanDerWaalsContact O-N 3.08Å; V694-E698 PolarHBondContact O-N 2.89Å
695L98.5Very high97.4Very high86 Ų8698.4 Ų98.445%0.4549%0.485SS..Hα-helixtrans-60.3-33178-69.4171.8000112.3E691 E698 L699E691-L695 HydrophobicContact CG-CD1 4.06Å; E691-L695 HydrophobicContact CG-CG 4.43Å; E691-L695 WeakPolarHBondContact O-CG 3.36Å; E691-L695 PolarHBondContact O-N 2.88Å; L695-E698 PolarHBondContact O-N 3.48Å; L695-L699 VanDerWaalsContact O-CB 3.29Å; L695-L699 WeakPolarHBondContact O-CB 3.46Å; L695-L699 PolarHBondContact O-N 3.29Å
696R97.9Very high97.6Very high170 Ų17097.6 Ų97.664%0.64248%0.482SS*.Hα-helixtrans-68.9-35.5174-77.5169.7177.7-172.10.9113.4V692 Q693 V694 R700V692-R696 WeakPolarHBondContact O-CB 3.37Å; V692-R696 WeakPolarHBondContact O-CD 3.42Å; V692-R696 WeakPolarHBondContact O-CG 3.4Å; V692-R696 PolarHBondContact O-N 2.7Å; Q693-R696 PolarHBondContact O-N 2.98Å; V694-R696 PolarHBondContact O-N 2.86Å; R696-R700 VanDerWaalsContact O-CB 3.29Å; R696-R700 WeakPolarHBondContact O-CB 3.33Å; R696-R700 PolarHBondContact O-N 3.15Å
697E97.7Very high97.8Very high88 Ų8895.7 Ų95.741%0.41148%0.483SS..Hα-helixtrans-73-39.7170-176.368.6-101.300111.2Q693 V694 L699 R700 G701 K704Q693-E697 PolarHBondContact O-N 3.44Å; V694-E697 PolarHBondContact O-N 3.38Å; V694-E697 VanDerWaalsContact O-N 3.08Å; E697-L699 PolarHBondContact O-N 2.84Å; E697-R700 VanDerWaalsContact CD-NE 3.33Å; E697-R700 CarbonylContact O-C 3.5Å; E697-R700 PolarHBondContact O-N 2.69Å; E697-R700 IonicContact OE1-CZ 3.59Å; E697-R700 IonicContact OE1-NE 2.81Å; E697-R700 PolarHBondContact OE1-NE 2.81Å; E697-R700 IonicContact OE1-NH2 3.59Å; E697-R700 IonicContact OE2-CZ 3.42Å; E697-R700 IonicContact OE2-NE 3.36Å; E697-R700 PolarHBondContact OE2-NE 3.11Å; E697-R700 IonicContact OE2-NH2 2.68Å; E697-R700 PolarHBondContact OE2-NH2 3.33Å; E697-G701 PolarHBondContact O-N 2.94Å; E697-K704 IonicContact OE1-NZ 3.49Å; E697-K704 PolarHBondContact OE1-NZ 2.81Å
698E98.1Very high98Very high85 Ų8599 Ų9940%0.39749%0.493SS..Hα-helixtrans-63.1-41.9179.2-161.1-175.5127.800111.7V694 L695 G701 R702V694-E698 PolarHBondContact O-N 2.89Å; L695-E698 PolarHBondContact O-N 3.48Å; E698-G701 PolarHBondContact O-N 2.87Å; E698-R702 PolarHBondContact O-N 3.04Å; E698-R702 IonicContact OE1-CZ 3.1Å; E698-R702 IonicContact OE1-NH1 2.69Å; E698-R702 PolarHBondContact OE1-NH1 3.19Å; E698-R702 IonicContact OE1-NH2 2.68Å; E698-R702 PolarHBondContact OE1-NH2 2.87Å
699L98.5Very high98Very high100 Ų10098.3 Ų98.352%0.52449%0.489SS..Hα-helixtrans-60.7-50.5171.4-176.962.6000111.1L695 E697 G701 R702 D703L695-L699 VanDerWaalsContact O-CB 3.29Å; L695-L699 WeakPolarHBondContact O-CB 3.46Å; L695-L699 PolarHBondContact O-N 3.29Å; E697-L699 PolarHBondContact O-N 2.84Å; L699-G701 PolarHBondContact O-N 2.89Å; L699-R702 CarbonylContact O-C 3.54Å; L699-R702 WeakPolarHBondContact O-CA 3.39Å; L699-R702 WeakPolarHBondContact O-CB 3.35Å; L699-R702 PolarHBondContact O-N 2.88Å; L699-D703 VanDerWaalsContact O-CG 3.31Å; L699-D703 PolarHBondContact O-N 3.47Å
700R97.8Very high98Very high115 Ų11596.6 Ų96.643%0.43448%0.484SS..Hα-helixtrans-58.1-31.8175171.6169.158.8-127.79112.8R696 E697 K704R696-R700 VanDerWaalsContact O-CB 3.29Å; R696-R700 WeakPolarHBondContact O-CB 3.33Å; R696-R700 PolarHBondContact O-N 3.15Å; E697-R700 VanDerWaalsContact CD-NE 3.33Å; E697-R700 CarbonylContact O-C 3.5Å; E697-R700 PolarHBondContact O-N 2.69Å; E697-R700 IonicContact OE1-CZ 3.59Å; E697-R700 IonicContact OE1-NE 2.81Å; E697-R700 PolarHBondContact OE1-NE 2.81Å; E697-R700 IonicContact OE1-NH2 3.59Å; E697-R700 IonicContact OE2-CZ 3.42Å; E697-R700 IonicContact OE2-NE 3.36Å; E697-R700 PolarHBondContact OE2-NE 3.11Å; E697-R700 IonicContact OE2-NH2 2.68Å; E697-R700 PolarHBondContact OE2-NH2 3.33Å; R700-K704 HydrophobicContact CG-CD 4.45Å; R700-K704 WeakPolarHBondContact O-CD 3.3Å; R700-K704 WeakPolarHBondContact O-CG 3.27Å; R700-K704 PolarHBondContact O-N 2.87Å; R700-K704 VanDerWaalsContact O-N 3.15Å
701G98.3Very high98.1Very high28 Ų2897 Ų9729%0.28949%0.49SS..Hα-helixtrans-68.8-42.717200000112.7E697 E698 L699 T705E697-G701 PolarHBondContact O-N 2.94Å; E698-G701 PolarHBondContact O-N 2.87Å; L699-G701 PolarHBondContact O-N 2.89Å; G701-T705 PolarHBondContact O-N 3.3Å; G701-T705 VanDerWaalsContact O-N 3.16Å; G701-T705 PolarHBondContact O-OG1 3.34Å
702R98.2Very high98.1Very high135 Ų13596.7 Ų96.751%0.50949%0.489SS..Hα-helixtrans-62.8-45.2171.4-71.1-173.617795.99.4111.5E698 L699 K704 T705 I706E698-R702 PolarHBondContact O-N 3.04Å; E698-R702 IonicContact OE1-CZ 3.1Å; E698-R702 IonicContact OE1-NH1 2.69Å; E698-R702 PolarHBondContact OE1-NH1 3.19Å; E698-R702 IonicContact OE1-NH2 2.68Å; E698-R702 PolarHBondContact OE1-NH2 2.87Å; L699-R702 CarbonylContact O-C 3.54Å; L699-R702 WeakPolarHBondContact O-CA 3.39Å; L699-R702 WeakPolarHBondContact O-CB 3.35Å; L699-R702 PolarHBondContact O-N 2.88Å; R702-K704 PolarHBondContact O-N 2.81Å; R702-T705 CarbonylContact O-C 3.54Å; R702-T705 WeakPolarHBondContact O-CA 3.43Å; R702-T705 WeakPolarHBondContact O-CB 3.32Å; R702-T705 PolarHBondContact O-N 3.3Å; R702-I706 VanDerWaalsContact O-CG1 3.31Å; R702-I706 WeakPolarHBondContact O-CG1 3.39Å; R702-I706 PolarHBondContact O-N 3.06Å
703D98.4Very high98Very high83 Ų8397 Ų9744%0.44449%0.493SS..Hα-helixtrans-61.8-43-179.7-64.6-31.2000112.3L699 T705 I706 A707L699-D703 VanDerWaalsContact O-CG 3.31Å; L699-D703 PolarHBondContact O-N 3.47Å; D703-T705 VanDerWaalsContact C-N 3.28Å; D703-T705 PolarHBondContact O-N 2.85Å; D703-I706 PolarHBondContact O-N 2.81Å; D703-A707 WeakPolarHBondContact O-CB 3.41Å; D703-A707 PolarHBondContact O-N 3.14Å
704K98.3Very high98Very high116 Ų11694.9 Ų94.950%0.50448%0.483SS..Hα-helixtrans-57-42.3170.8-71.2161.3-174.4165.80111.5E697 R700 R702 A707 L708E697-K704 IonicContact OE1-NZ 3.49Å; E697-K704 PolarHBondContact OE1-NZ 2.81Å; R700-K704 HydrophobicContact CG-CD 4.45Å; R700-K704 WeakPolarHBondContact O-CD 3.3Å; R700-K704 WeakPolarHBondContact O-CG 3.27Å; R700-K704 PolarHBondContact O-N 2.87Å; R700-K704 VanDerWaalsContact O-N 3.15Å; R702-K704 PolarHBondContact O-N 2.81Å; K704-A707 PolarHBondContact O-N 2.88Å; K704-L708 WeakPolarHBondContact O-CG 3.13Å; K704-L708 PolarHBondContact O-N 3.44Å; K704-L708 VanDerWaalsContact O-N 3.09Å
705T98.3Very high97.9Very high77 Ų7797.1 Ų97.147%0.47249%0.487SS..Hα-helixtrans-68.3-42.8179.4-53.30000111.6G701 R702 D703 L708 L709G701-T705 PolarHBondContact O-N 3.3Å; G701-T705 VanDerWaalsContact O-N 3.16Å; G701-T705 PolarHBondContact O-OG1 3.34Å; R702-T705 CarbonylContact O-C 3.54Å; R702-T705 WeakPolarHBondContact O-CA 3.43Å; R702-T705 WeakPolarHBondContact O-CB 3.32Å; R702-T705 PolarHBondContact O-N 3.3Å; D703-T705 VanDerWaalsContact C-N 3.28Å; D703-T705 PolarHBondContact O-N 2.85Å; T705-L708 PolarHBondContact O-N 2.91Å; T705-L709 HydrophobicContact CG2-CD1 4.12Å; T705-L709 WeakPolarHBondContact O-CB 3.33Å; T705-L709 WeakPolarHBondContact O-CG 3.35Å; T705-L709 PolarHBondContact O-N 2.84Å
706I98.4Very high97.7Very high95 Ų9597.5 Ų97.549%0.48749%0.489SS..Hα-helixtrans-61.4-46.2175.2-68.6163000109.8R702 D703 L708 L709 T710R702-I706 VanDerWaalsContact O-CG1 3.31Å; R702-I706 WeakPolarHBondContact O-CG1 3.39Å; R702-I706 PolarHBondContact O-N 3.06Å; D703-I706 PolarHBondContact O-N 2.81Å; I706-L708 PolarHBondContact O-N 3.39Å; I706-L709 PolarHBondContact O-N 2.83Å; I706-T710 WeakPolarHBondContact O-CB 3.43Å; I706-T710 PolarHBondContact O-N 3.29Å; I706-T710 PolarHBondContact O-OG1 3.19Å
707A98.3Very high97.5Very high60 Ų6095.1 Ų95.150%0.49649%0.485SS..Hα-helixtrans-60.1-43.2177.400000112.9D703 K704 T710 L711D703-A707 WeakPolarHBondContact O-CB 3.41Å; D703-A707 PolarHBondContact O-N 3.14Å; K704-A707 PolarHBondContact O-N 2.88Å; A707-T710 PolarHBondContact O-N 2.93Å; A707-L711 PolarHBondContact O-N 3.18Å
708L98.4Very high97.3Very high123 Ų12396.8 Ų96.864%0.64449%0.493SS*.Hα-helixtrans-63.4-45175.5-72.3169.6000112.1K704 T705 I706 L711 Q712K704-L708 WeakPolarHBondContact O-CG 3.13Å; K704-L708 PolarHBondContact O-N 3.44Å; K704-L708 VanDerWaalsContact O-N 3.09Å; T705-L708 PolarHBondContact O-N 2.91Å; I706-L708 PolarHBondContact O-N 3.39Å; L708-L711 PolarHBondContact O-N 3.22Å; L708-Q712 PolarHBondContact O-N 3.39Å
709L98.3Very high97Very high90 Ų9098 Ų9847%0.47150%0.499SS..Hα-helixtrans-66.1-37.9176-70.8170.9000111.9T705 I706 Q712 C713T705-L709 HydrophobicContact CG2-CD1 4.12Å; T705-L709 WeakPolarHBondContact O-CB 3.33Å; T705-L709 WeakPolarHBondContact O-CG 3.35Å; T705-L709 PolarHBondContact O-N 2.84Å; I706-L709 PolarHBondContact O-N 2.83Å; L709-Q712 PolarHBondContact O-N 2.64Å; L709-C713 WeakPolarHBondContact O-CB 3.4Å; L709-C713 PolarHBondContact O-N 3.13Å; L709-C713 PolarHBondContact O-SG 3.42Å; L709-C713 VanDerWaalsContact O-SG 3.33Å
710T97.3Very high96.6Very high67 Ų6798.9 Ų98.941%0.41150%0.5SS..Hα-helixtrans-62.1-43.9174-63.20000111.1I706 A707 C713 Q714I706-T710 WeakPolarHBondContact O-CB 3.43Å; I706-T710 PolarHBondContact O-N 3.29Å; I706-T710 PolarHBondContact O-OG1 3.19Å; A707-T710 PolarHBondContact O-N 2.93Å; T710-C713 PolarHBondContact O-N 3.12Å; T710-Q714 WeakPolarHBondContact O-CG 3.31Å; T710-Q714 PolarHBondContact O-N 3.5Å
711L97.9Very high96.2Very high110 Ų11099.4 Ų99.458%0.57651%0.507SS*.Hα-helixtrans-62.4-42.5175.1-178.962.3000111.9A707 L708 Q714 Q715A707-L711 PolarHBondContact O-N 3.18Å; L708-L711 PolarHBondContact O-N 3.22Å; L711-Q714 PolarHBondContact O-N 3.49Å; L711-Q715 PolarHBondContact O-N 2.86Å
712Q97.8Very high95.7Very high107 Ų107102.9 Ų102.950%0.552%0.516SS..Hα-helixtrans-62.3-45.3175.3-173-178.86.200111.7L708 L709 Q714 Q715 L716L708-Q712 PolarHBondContact O-N 3.39Å; L709-Q712 PolarHBondContact O-N 2.64Å; Q712-Q714 PolarHBondContact O-N 3.02Å; Q712-Q715 PolarHBondContact O-N 3.01Å; Q712-L716 HydrophobicContact CG-CD1 4.33Å; Q712-L716 WeakPolarHBondContact O-CG 3.36Å; Q712-L716 PolarHBondContact O-N 2.87Å
713C96.7Very high95.1Very high71 Ų71101 Ų10148%0.4851%0.513SS..Hα-helixtrans-61.1-42.7175.6-75.70000112.1L709 T710 L716 Q717L709-C713 WeakPolarHBondContact O-CB 3.4Å; L709-C713 PolarHBondContact O-N 3.13Å; L709-C713 PolarHBondContact O-SG 3.42Å; L709-C713 VanDerWaalsContact O-SG 3.33Å; T710-C713 PolarHBondContact O-N 3.12Å; C713-L716 PolarHBondContact O-N 3.41Å; C713-Q717 WeakPolarHBondContact O-CG 3.33Å; C713-Q717 PolarHBondContact O-N 2.99Å
714Q96.6Very high94.6Very high92 Ų92101.6 Ų101.643%0.4351%0.513SS..Hα-helixtrans-61.6-43.6173.4-73177.919.600111.5T710 L711 Q712 L716 Q717 H718T710-Q714 WeakPolarHBondContact O-CG 3.31Å; T710-Q714 PolarHBondContact O-N 3.5Å; L711-Q714 PolarHBondContact O-N 3.49Å; Q712-Q714 PolarHBondContact O-N 3.02Å; Q714-L716 VanDerWaalsContact C-N 3.33Å; Q714-L716 PolarHBondContact O-N 3.29Å; Q714-Q717 PolarHBondContact O-N 3.3Å; Q714-H718 PolarHBondContact O-N 2.96Å; Q714-H718 PolarHBondContact O-ND1 3.37Å
715Q95.6Very high94Very high141 Ų141102.3 Ų102.366%0.65952%0.518SS*.Hα-helixtrans-61.7-40.9177.9-167.9-177.528.200111.9L711 Q712 H718 Q719L711-Q715 PolarHBondContact O-N 2.86Å; Q712-Q715 PolarHBondContact O-N 3.01Å; Q715-H718 PolarHBondContact O-N 3.19Å; Q715-Q719 PolarHBondContact O-N 2.88Å
716L95.4Very high93.2Very high94 Ų94103.3 Ų103.349%0.49252%0.517SS..Hα-helixtrans-66.4-39.9175.4-69.4170.4000112.1Q712 C713 Q714 Q719 Q720Q712-L716 HydrophobicContact CG-CD1 4.33Å; Q712-L716 WeakPolarHBondContact O-CG 3.36Å; Q712-L716 PolarHBondContact O-N 2.87Å; C713-L716 PolarHBondContact O-N 3.41Å; Q714-L716 VanDerWaalsContact C-N 3.33Å; Q714-L716 PolarHBondContact O-N 3.29Å; L716-Q719 PolarHBondContact O-N 3.33Å; L716-Q720 WeakPolarHBondContact O-CB 3.34Å; L716-Q720 PolarHBondContact O-N 2.94Å
717Q93.8Very high92.4Very high120 Ų120104 Ų10456%0.56152%0.518SS*.Hα-helixtrans-62.3-45.6174.1-76.5177.2-16.600112.1C713 Q714 Q719 Q720 Q721C713-Q717 WeakPolarHBondContact O-CG 3.33Å; C713-Q717 PolarHBondContact O-N 2.99Å; Q714-Q717 PolarHBondContact O-N 3.3Å; Q717-Q719 VanDerWaalsContact C-N 3.31Å; Q717-Q719 PolarHBondContact O-N 2.88Å; Q717-Q720 PolarHBondContact O-N 2.7Å; Q717-Q721 WeakPolarHBondContact O-CG 3.45Å; Q717-Q721 PolarHBondContact O-N 3.21Å
718H92.4Very high91.4Very high123 Ų123107.2 Ų107.257%0.56952%0.523SS*.Hα-helixtrans-60.3-41174.8-74.987.5000111.7Q714 Q715 H722Q714-H718 PolarHBondContact O-N 2.96Å; Q714-H718 PolarHBondContact O-ND1 3.37Å; Q715-H718 PolarHBondContact O-N 3.19Å; H718-H722 WeakPolarHBondContact O-CB 3.12Å; H718-H722 PolarHBondContact O-N 2.83Å
719Q92.2Very high90.2Very high111 Ų111104.6 Ų104.652%0.51952%0.515SS..Hα-helixtrans-63.8-43.4175.5-163.8-166.6106.100111.7Q715 L716 Q717 H722 Q723Q715-Q719 PolarHBondContact O-N 2.88Å; L716-Q719 PolarHBondContact O-N 3.33Å; Q717-Q719 VanDerWaalsContact C-N 3.31Å; Q717-Q719 PolarHBondContact O-N 2.88Å; Q719-H722 PolarHBondContact O-N 2.81Å; Q719-Q723 WeakPolarHBondContact O-CG 3.43Å; Q719-Q723 PolarHBondContact O-N 3.43Å; Q719-Q723 VanDerWaalsContact OE1-NE2 3.11Å
720Q90.6Very high88.8Confident118 Ų118106.3 Ų106.355%0.55152%0.524SS*.Hα-helixtrans-65-44178.4-168-16984.700111.7L716 Q717 H722 Q723 Q724L716-Q720 WeakPolarHBondContact O-CB 3.34Å; L716-Q720 PolarHBondContact O-N 2.94Å; Q717-Q720 PolarHBondContact O-N 2.7Å; Q720-H722 VanDerWaalsContact C-N 3.31Å; Q720-H722 PolarHBondContact O-N 2.9Å; Q720-Q723 PolarHBondContact O-N 3.32Å; Q720-Q724 WeakPolarHBondContact O-CG 3.33Å; Q720-Q724 PolarHBondContact O-N 3.17Å
721Q89.5Confident87.3Confident126 Ų126110 Ų11059%0.58954%0.537SS*.Hα-helixtrans-59.5-41.9173.8-73.8-178.2-200111.6Q717 Q724 Q725Q717-Q721 WeakPolarHBondContact O-CG 3.45Å; Q717-Q721 PolarHBondContact O-N 3.21Å; Q721-Q724 PolarHBondContact O-N 3.36Å; Q721-Q725 WeakPolarHBondContact O-CB 3.35Å; Q721-Q725 PolarHBondContact O-N 2.89Å
722H86.6Confident85Confident102 Ų102111.1 Ų111.147%0.47254%0.541SS..Hα-helixtrans-64.4-40.7176.2-168.862.3000112.3H718 Q719 Q720 Q725 Q726H718-H722 WeakPolarHBondContact O-CB 3.12Å; H718-H722 PolarHBondContact O-N 2.83Å; Q719-H722 PolarHBondContact O-N 2.81Å; Q720-H722 VanDerWaalsContact C-N 3.31Å; Q720-H722 PolarHBondContact O-N 2.9Å; H722-Q725 PolarHBondContact O-N 2.88Å; H722-Q726 PolarHBondContact CD2-NE2 3.23Å; H722-Q726 VanDerWaalsContact CD2-NE2 3.26Å; H722-Q726 PolarHBondContact NE2-NE2 2.89Å; H722-Q726 WeakPolarHBondContact O-CG 3.46Å; H722-Q726 PolarHBondContact O-N 3.04Å
723Q87.3Confident82.7Confident96 Ų96111 Ų11145%0.44955%0.55SS..Hα-helixtrans-65-38.6173.7-71.4-175.534.500112.7Q719 Q720 Q727Q719-Q723 WeakPolarHBondContact O-CG 3.43Å; Q719-Q723 PolarHBondContact O-N 3.43Å; Q719-Q723 VanDerWaalsContact OE1-NE2 3.11Å; Q720-Q723 PolarHBondContact O-N 3.32Å; Q723-Q727 WeakPolarHBondContact O-CG 3.3Å; Q723-Q727 PolarHBondContact O-N 2.86Å; Q723-Q727 PolarHBondContact O-NE2 2.97Å; Q723-Q727 VanDerWaalsContact O-NE2 3.11Å
724Q86.6Confident80.5Confident94 Ų94118.8 Ų118.844%0.43957%0.57SS.*Hα-helixtrans-65.3-43.3173.9-72-1724000111.4Q720 Q721 Q726 Q727 Q728Q720-Q724 WeakPolarHBondContact O-CG 3.33Å; Q720-Q724 PolarHBondContact O-N 3.17Å; Q721-Q724 PolarHBondContact O-N 3.36Å; Q724-Q726 PolarHBondContact O-N 3.3Å; Q724-Q727 PolarHBondContact O-N 3.11Å; Q724-Q728 WeakPolarHBondContact O-CG 3.27Å; Q724-Q728 PolarHBondContact O-N 3.45Å
725Q85.4Confident78.1Confident132 Ų132122.9 Ų122.962%0.61759%0.59SS**Hα-helixtrans-65.1-37.1177.6-171.4177.988.200112.2Q721 H722 Q728 C729Q721-Q725 WeakPolarHBondContact O-CB 3.35Å; Q721-Q725 PolarHBondContact O-N 2.89Å; H722-Q725 PolarHBondContact O-N 2.88Å; Q725-Q728 PolarHBondContact O-N 3.39Å; Q725-C729 WeakPolarHBondContact O-CB 3.29Å; Q725-C729 PolarHBondContact O-N 3.46Å
726Q81.8Confident75.8Confident97 Ų97119.7 Ų119.745%0.45359%0.594SS.*Hα-helixtrans-62.8-44.6170.3-73.8-172.829.700111.7H722 Q724 Q728 C729 N730H722-Q726 PolarHBondContact CD2-NE2 3.23Å; H722-Q726 VanDerWaalsContact CD2-NE2 3.26Å; H722-Q726 PolarHBondContact NE2-NE2 2.89Å; H722-Q726 WeakPolarHBondContact O-CG 3.46Å; H722-Q726 PolarHBondContact O-N 3.04Å; Q724-Q726 PolarHBondContact O-N 3.3Å; Q726-Q728 VanDerWaalsContact C-N 3.35Å; Q726-Q728 PolarHBondContact O-N 2.83Å; Q726-C729 PolarHBondContact O-N 2.86Å; Q726-N730 WeakPolarHBondContact O-CB 3.34Å; Q726-N730 PolarHBondContact O-N 3.05Å; Q726-N730 PolarHBondContact O-ND2 3.33Å
727Q81.4Confident73.5Confident109 Ų109124 Ų12451%0.50961%0.612SS.*Hα-helixtrans-63-37.8177-76.4170.782.300112.7Q723 Q724 N730 Q731Q723-Q727 WeakPolarHBondContact O-CG 3.3Å; Q723-Q727 PolarHBondContact O-N 2.86Å; Q723-Q727 PolarHBondContact O-NE2 2.97Å; Q723-Q727 VanDerWaalsContact O-NE2 3.11Å; Q724-Q727 PolarHBondContact O-N 3.11Å; Q727-N730 PolarHBondContact O-N 3.16Å; Q727-Q731 WeakPolarHBondContact O-CB 3.42Å; Q727-Q731 VanDerWaalsContact O-CG 3.3Å; Q727-Q731 WeakPolarHBondContact O-CG 3.35Å; Q727-Q731 PolarHBondContact O-N 3.04Å; Q727-Q731 PolarHBondContact O-NE2 3.36Å
728Q78.4Confident71Confident128 Ų128127 Ų12760%0.59863%0.626SS**Hα-helixtrans-66.4-44.8172.7-69.5174.516.500111.3Q724 Q725 Q726 N730 Q731Q724-Q728 WeakPolarHBondContact O-CG 3.27Å; Q724-Q728 PolarHBondContact O-N 3.45Å; Q725-Q728 PolarHBondContact O-N 3.39Å; Q726-Q728 VanDerWaalsContact C-N 3.35Å; Q726-Q728 PolarHBondContact O-N 2.83Å; Q728-N730 PolarHBondContact O-N 2.76Å; Q728-Q731 PolarHBondContact O-N 3.07Å; Q728-Q731 VanDerWaalsContact O-N 3.16Å
729C72.4Confident69.1Low69 Ų69127.3 Ų127.347%0.46664%0.636SS.*Hα-helixtrans-61.6-30.7177-167.90000113.1Q725 Q726Q725-C729 WeakPolarHBondContact O-CB 3.29Å; Q725-C729 PolarHBondContact O-N 3.46Å; Q726-C729 PolarHBondContact O-N 2.86Å
730N68.6Low66.8Low125 Ų125132.8 Ų132.867%0.66865%0.652SS**Hα-helixtrans-87.1-10.6179.1-66.5-12.5000113.8Q726 Q727 Q728Q726-N730 WeakPolarHBondContact O-CB 3.34Å; Q726-N730 PolarHBondContact O-N 3.05Å; Q726-N730 PolarHBondContact O-ND2 3.33Å; Q727-N730 PolarHBondContact O-N 3.16Å; Q728-N730 PolarHBondContact O-N 2.76Å
731Q65.6Low64.7Low144 Ų144131.7 Ų131.767%0.67366%0.657SS**SBendtrans-97.2-1.7178.1-79.8173.2102.500113.7Q727 Q728 P733Q727-Q731 WeakPolarHBondContact O-CB 3.42Å; Q727-Q731 VanDerWaalsContact O-CG 3.3Å; Q727-Q731 WeakPolarHBondContact O-CG 3.35Å; Q727-Q731 PolarHBondContact O-N 3.04Å; Q727-Q731 PolarHBondContact O-NE2 3.36Å; Q728-Q731 PolarHBondContact O-N 3.07Å; Q728-Q731 VanDerWaalsContact O-N 3.16Å; Q731-P733 VanDerWaalsContact O-CD 3.3Å; Q731-P733 WeakPolarHBondContact O-CD 3.23Å
732M50Low62.5Low135 Ų135136.6 Ų136.667%0.66567%0.67SS**SBendtrans-61.8120.5171.6-70.7-60.5-59.100110.2
733P49.3Very low60.4Low105 Ų105136.1 Ų136.168%0.68268%0.676SS**  trans-63.8150.2179.5-23.335.1000112.8Q731 E735Q731-P733 VanDerWaalsContact O-CD 3.3Å; Q731-P733 WeakPolarHBondContact O-CD 3.23Å; P733-E735 PolarHBondContact O-N 3.49Å
734Y50.5Low58.2Low233 Ų233143 Ų14391%0.91470%0.699SS**SBendtrans-78.858.3-179.2-66-90.4000113
735E47.4Very low56Low179 Ų179147.6 Ų147.684%0.83672%0.72SS**  trans-121120.2170.7-85.2-67.6147.300108.9P733P733-E735 PolarHBondContact O-N 3.49Å
736G45.6Very low53.8Low73 Ų73152.8 Ų152.875%0.75373%0.733SS**  trans97.162.4-179.200000116Q738G736-Q738 PolarHBondContact O-N 3.24Å
737Q48.2Very low51.5Low186 Ų186159.4 Ų159.487%0.86975%0.754SS**  trans-70.487.1175.8-172.9179-1.100112.9
738Q41.2Very low49.2Very low182 Ų182160.7 Ų160.785%0.8577%0.77SS**  trans-104.2119.9159-78.5-158.21.700111.9G736 R740G736-Q738 PolarHBondContact O-N 3.24Å; Q738-R740 PolarHBondContact O-N 2.83Å
739V53.3Low47Very low129 Ų129160.1 Ų160.178%0.78278%0.78SS**  trans-75.595.5-175.1-178.40000111.1
740R42.8Very low45.1Very low226 Ų226161.8 Ų161.885%0.85380%0.798SS**  trans-98.893.2168.1-169.8168.7-72-168.5-0.7110.7Q738 R742Q738-R740 PolarHBondContact O-N 2.83Å; R740-R742 PolarHBondContact O-N 3.47Å
741C47.4Very low43.4Very low96 Ų96160.6 Ų160.665%0.64980%0.8SS**  trans-50.4109.3-179.9-155.70000111.8C743C741-C743 VanDerWaalsContact CA-SG 3.53Å; C741-C743 HydrophobicContact CB-CB 3.91Å; C741-C743 WeakPolarHBondContact CB-SG 3.33Å; C741-C743 PolarHBondContact O-N 3.37Å; C741-C743 WeakPolarHBondContact SG-CB 3.5Å; C741-C743 CovalentContact SG-SG 2.04Å; C741-C743 PolarHBondContact SG-SG 3.45Å
742R43.8Very low42.1Very low229 Ų229161.2 Ų161.286%0.86481%0.807SS**  trans-74.359.2172-80.8-165.8173.6-159.72.6111.3R740R740-R742 PolarHBondContact O-N 3.47Å
743C42.3Very low41.3Very low91 Ų91163.6 Ų163.662%0.61582%0.817SS**  trans-115.521.1-159.5-57.10000113.2C741C741-C743 VanDerWaalsContact CA-SG 3.53Å; C741-C743 HydrophobicContact CB-CB 3.91Å; C741-C743 WeakPolarHBondContact CB-SG 3.33Å; C741-C743 PolarHBondContact O-N 3.37Å; C741-C743 WeakPolarHBondContact SG-CB 3.5Å; C741-C743 CovalentContact SG-SG 2.04Å; C741-C743 PolarHBondContact SG-SG 3.45Å
744R40.4Very low40.4Very low242 Ų242167 Ų16791%0.91382%0.823SS**SBendtrans-116-2.1-174.8-98.4-169.7176.1-155.9-0116.8
745H39.5Very low39.4Very low190 Ų190162.1 Ų162.188%0.8881%0.813SS**SBendtrans-106.514.7-176.8-77.690.6000114.7
746R40.6Very low38.6Very low240 Ų240161.5 Ų161.591%0.90681%0.81SS**SBendtrans-146.149.9-175.7-148.1178.5-157.4-92.61.3115.3
747R33.1Very low38.2Very low236 Ų236169 Ų16989%0.89182%0.815SS**  trans-157.870.5167.2-154.2177.4-71.5-170.5-1.9115.5
748T33.1Very low37.5Very low137 Ų137167.5 Ų167.584%0.8481%0.808SS**  trans176.7141.1148.236.50000108.4
749S32.1Very low37.3Very low115 Ų115167 Ų16780%0.80481%0.808SS**  cis-153122-18.4-83.50000111.3
750A31.4Very low36.5Very low104 Ų104167.2 Ų167.286%0.8681%0.805SS**  trans-154.1131.5152.900000106.5
751S33.3Very low36.4Very low101 Ų101165.3 Ų165.371%0.70680%0.803SS**  cis-147.1176.2-065.60000110.4
752L38.7Very low35.8Very low156 Ų156171.7 Ų171.782%0.81781%0.813SS**  trans43.3111.3152.8-66.7162.4000118.9
753Q33.5Very low35.4Very low185 Ų185168.3 Ų168.386%0.86481%0.809SS**  -174.7149102.1-101-17420.100114.7
754H29.4Very low35.2Very low177 Ų177171.6 Ų171.682%0.81982%0.816SS**  trans41.7130.6152.4-136.9-76.5000123.5
755N30.9Very low34.9Very low130 Ų130169.3 Ų169.370%0.69582%0.815SS**  trans-59.7151.2169.7-96.3-17.6000116.3
756E30.8Very low34.7Very low167 Ų167169.5 Ų169.578%0.7881%0.81SS**  76.1105.9127.1-169.4175.5-175.600121.6
757R37.1Very low34.3Very low229 Ų229165.7 Ų165.786%0.86481%0.807SS**  trans175.1153.3140.7-95.3166.5-136.9-114.64.4107.7
758Q32Very low34.7Very low155 Ų155162.5 Ų162.572%0.72480%0.8SS**  cis-158.5149.5-19.6176.8170.3-30.300106.8
759M36.9Very low35Very low171 Ų171160.3 Ų160.384%0.84280%0.796SS**  trans-93.9120.3-178-69.4-84-171.800112.6
760D37Very low35.7Very low135 Ų135162.1 Ų162.172%0.72280%0.802SS**  trans-144.9129.3148.5-91.5-47.1000106.9
761K41Very low35.9Very low185 Ų185165 Ų16580%0.80480%0.798SS**  cis75.3130.241.7-64.7-177.8173.9174.90114.5
762R35.2Very low36.2Very low230 Ų230166.3 Ų166.387%0.86880%0.802SS**  trans65.4108164.3-168.7-165.1-66.5176.9-1116.2
763M34.1Very low36Very low159 Ų159166.5 Ų166.578%0.78379%0.793SS**  -160.4147.3103.3-90-91.439.400109.7
764Q39.1Very low36Very low159 Ų159168.5 Ų168.574%0.74379%0.792SS**  trans-94.7150.2165.1-63.3172.4-2000108.4
765Q34.1Very low36.3Very low194 Ų194170.5 Ų170.591%0.90779%0.793SS**  trans-160.3160.1133.7-113.8158.6-5.800111.8
766Y34.5Very low36.8Very low194 Ų194170.2 Ų170.276%0.76180%0.796SS**  trans-85.4158.6179.6-73.8-112.4000110.4
767D33.8Very low37.3Very low161 Ų161168.5 Ų168.586%0.86180%0.799SS**  -144.3172.3116-145.4-17.1000111.4
768K40.3Very low37Very low168 Ų168161.8 Ų161.873%0.7379%0.788SS**  trans-132.7164.6-177.2-74.3-176.4176.1-1800111.8
769A40.8Very low37.1Very low91 Ų91162.9 Ų162.975%0.75279%0.792SS**  trans71111.5158.900000118.7
770T45.7Very low37.5Very low153 Ų153161 Ų16194%0.93979%0.793SS**  -140.6159.1118.5-17.10000109.3
771Q35.1Very low37.3Very low165 Ų165158 Ų15877%0.77179%0.794SS**  trans-147118.5-153.8172.5-166.9-12.500113
772T41.1Very low36.8Very low129 Ų129156.3 Ų156.379%0.79180%0.799SS**  trans-169.4127159.917.80000106.7
773Y33.5Very low37Very low160 Ų160152.5 Ų152.563%0.62780%0.795SS**  56.2121.852.7-104.5-79.6000111.6
774W34Very low37.3Very low226 Ų226150.7 Ų150.786%0.85680%0.795SS**  cis-139.3-172.743.1-77.483.2000115.8
775R36.2Very low37.1Very low219 Ų219150 Ų15083%0.82680%0.796SS**  trans-108159.8-169.2-159.2-169.8-65.2-175.30.3112.7
776T40.5Very low37.7Very low125 Ų125145.8 Ų145.877%0.76779%0.786SS**  trans-71.1163.8174.247.20000115
777P42.1Very low37.4Very low130 Ų130143.9 Ų143.984%0.84479%0.788SS**  -134.8-170.8127.938.2-26000113.8
778S29.7Very low37.4Very low89 Ų89143.2 Ų143.262%0.62278%0.784SS**  trans-140.1160.4-152.655.20000117.6
779H34.5Very low37.4Very low177 Ų177139.6 Ų139.682%0.81978%0.78SS**  trans67.3170.1164-48.3-54000117.4
780P44.3Very low37.6Very low132 Ų132140.8 Ų140.886%0.85778%0.779SS**  cis-118.1-166.4-9.441-26.2000113.2
781G33Very low36.8Very low72 Ų72143.2 Ų143.274%0.74277%0.772SS**  trans-133.1167.8-178.100000115.5
782V31.7Very low36.8Very low149 Ų149142.6 Ų142.690%0.90377%0.769SS**  trans-147.1143.7-179.6174.70000110.1
783L39Very low36.3Very low150 Ų150140.7 Ų140.779%0.78577%0.766SS**  trans-98.6156170.6-75.1169.1000111.1
784P41.3Very low36.1Very low122 Ų122140.9 Ų140.979%0.79277%0.772SS**  -145.6154.3103.138.3-23.7000116.8
785N34.5Very low35.9Very low143 Ų143136.6 Ų136.677%0.76576%0.762SS**  trans-69.3179.1159.1-77.8-19000110.5
786P45.6Very low35.7Very low107 Ų107134.6 Ų134.670%0.69576%0.762SS**  cis-153.4-162.925.245.6-23.3000117.7
787L29.7Very low35.2Very low153 Ų153131.5 Ų131.580%0.80176%0.755SS**  trans68.5132.9156.9-69.3172.4000117
788L33.9Very low35Very low148 Ų148133.5 Ų133.578%0.77576%0.758SS**  cis-147.7147.732.7-105.7132.9000113.4
789S39.1Very low35Very low92 Ų92137.2 Ų137.264%0.64377%0.769SS**  trans-110.5151151.2-51.30000108.7
790P44.4Very low35.1Very low115 Ų115137.6 Ų137.675%0.74777%0.771SS**  -121.2126120.7-4.825.1000110.5
791W30.7Very low34.4Very low205 Ų205137.1 Ų137.178%0.77777%0.766SS**  66.2107.272-79.766.5000112.4
792H33.3Very low34.2Very low152 Ų152138.8 Ų138.870%0.70477%0.766SS**  74.9114.276.4-79.5171.3000113.5
793A31.1Very low34.2Very low89 Ų89140.2 Ų140.274%0.73677%0.765SS**  trans-169.7126.1137.100000107.7
794Q29.7Very low34.2Very low163 Ų163138.5 Ų138.576%0.76276%0.762SS**  75.6121.855.4-171.5171.2-11.300110.1
795Q29.6Very low33.8Very low137 Ų137141.5 Ų141.564%0.6477%0.766SS**  cis-166.4178.29.9-138.6164.618.300111.8
796Q31.3Very low33.5Very low176 Ų176146.3 Ų146.382%0.82277%0.773SS**  trans67.7152.1158.9-59.9149.943.700115.8
797G30.7Very low32.9Very low61 Ų61151.9 Ų151.963%0.62978%0.781SS**  cis166.5127.2-9.100000111.8
798L37.4Very low33.1Very low172 Ų172153.7 Ų153.790%0.90179%0.785SS**  trans62.7131.4-177.4-61.992.7000117.5
799I30.5Very low33Very low167 Ų167151.8 Ų151.886%0.85678%0.779SS**  176.5145118.9-89.6158.9000109.1
800H36.4Very low32.7Very low184 Ų184153 Ų15385%0.85279%0.788SS**  trans-81.1134.9174.3-88.5-117.9000112.5
801T29.4Very low32.1Very low123 Ų123154.6 Ų154.676%0.75579%0.79SS**  trans-168.3117.4140320000107.4
802S29.5Very low32.1Very low106 Ų106149.6 Ų149.674%0.74179%0.793SS**  61.2115.86377.30000114.7
803M31.9Very low32.3Very low180 Ų180148.2 Ų148.289%0.88780%0.795SS**  trans-136158.6169.9-82.7-64.4-80.500109
804P38.5Very low32.3Very low113 Ų113148.4 Ų148.473%0.73480%0.797SS**PPolyproline II helixtrans-95.5117.1-13532.8-36.4000116.4
805Q32Very low32.5Very low185 Ų185150.1 Ų150.186%0.86480%0.802SS**PPolyproline II helixtrans-79.1120.4159.1-158.880.7-1700109.3R807Q805-R807 PolarHBondContact O-N 3.24Å
806R29.4Very low32.7Very low244 Ų244152.6 Ų152.692%0.92181%0.813SS**PPolyproline II helixtrans-71.6124.3179.7-167.5-178.8-171-141.65.2110.2H808R806-H808 PolarHBondContact O-N 3.01Å
807R33.3Very low33.1Very low224 Ų224150.1 Ų150.185%0.84581%0.812SS**PPolyproline II helixtrans-66129.9-177.9-63.7179.8-179.1172.6-1112Q805 T809Q805-R807 PolarHBondContact O-N 3.24Å; R807-T809 HydrophobicContact CB-CG2 4.33Å
808H32.4Very low33.2Very low192 Ų192155.6 Ų155.689%0.88983%0.827SS**PPolyproline II helixtrans-90.8139141.4-97-108.7000107.8R806R806-H808 PolarHBondContact O-N 3.01Å
809T33.4Very low32.9Very low107 Ų107153 Ų15366%0.65682%0.823SS**  trans-114.6102-179.249.60000110.6R807R807-T809 HydrophobicContact CB-CG2 4.33Å
810S31.5Very low33.1Very low119 Ų119154.1 Ų154.183%0.83282%0.824SS**  trans-92105.5168.9-52.70000108.6A812S810-A812 PolarHBondContact O-N 3.2Å
811N31.6Very low33Very low148 Ų148157.3 Ų157.379%0.79183%0.829SS**  trans-83.7108.9177.7-71.1-9.5000109.9
812A32.2Very low33.1Very low100 Ų100156 Ų15683%0.82683%0.831SS**  trans-118.788.9170.800000109.3S810 A814S810-A812 PolarHBondContact O-N 3.2Å; A812-A814 PolarHBondContact O-N 2.81Å
813T35.8Very low33.2Very low122 Ų122155.7 Ų155.775%0.74884%0.835SS**  trans-88.8101.3-179.8-52.30000110.1
814A31.3Very low33.5Very low94 Ų94151.3 Ų151.378%0.77783%0.827SS**PPolyproline II helixtrans-73.7142.4167.400000110.7A812A812-A814 PolarHBondContact O-N 2.81Å
815F34.6Very low33.9Very low198 Ų198152.1 Ų152.187%0.86883%0.832SS**PPolyproline II helixtrans-84.1137.2178.5-80.2-101.5000111.5
816Q34.8Very low33.9Very low189 Ų189146.4 Ų146.488%0.88382%0.823SS**PPolyproline II helixtrans-81.1136.6164.7-76.3-174.7-3500110.8
817P39.6Very low34.3Very low124 Ų124144.3 Ų144.381%0.80582%0.82SS**PPolyproline II helixtrans-75.2140162.231.4-32.4000110.8
818L31.2Very low34.5Very low177 Ų177139.6 Ų139.693%0.92782%0.817SS**PPolyproline II helixtrans-86.1118.7-178.6-169.476.4000110.9
819S32.2Very low34.5Very low118 Ų118135.9 Ų135.983%0.82580%0.803SS**PPolyproline II helixtrans-99.9138.2176.3-167.20000112.3
820Q33.8Very low34.8Very low189 Ų189140.9 Ų140.988%0.88382%0.816SS**PPolyproline II helixtrans-84.5145.8-173.6-60.3178.32.300112.2
821R34.7Very low35.1Very low251 Ų251141.1 Ų141.195%0.94781%0.808SS**  trans-145.3135.1163.4-157.8170-168.2157.56.3112.2
822A31.5Very low35.5Very low96 Ų96139 Ų13979%0.79380%0.804SS**  trans-85.5166.8-178.400000113.5
823A31.9Very low36.8Very low100 Ų100139 Ų13983%0.82680%0.796SS**  trans-75.5-178.9175.300000112
824A37.4Very low37Very low87 Ų87141.8 Ų141.872%0.71980%0.8SS**  cis-155.6-143.91400000108
825P48.3Very low37.6Very low131 Ų131148.7 Ų148.785%0.85181%0.806SS**  cis-133.4177.9-2838.9-22.1000114.7
826G30.5Very low38Very low64 Ų64142.2 Ų142.266%0.6680%0.795SS**  trans139.1107.7161.100000114.5
827K37.4Very low38.9Very low201 Ų201139.4 Ų139.487%0.87479%0.793SS**  66.5127.878.4-66179.7-178.7177.80113.4
828T38.1Very low39.1Very low125 Ų125146.3 Ų146.377%0.76782%0.815SS**  cis-163.7139.15.64.90000114
829N33Very low39.5Very low113 Ų113144.8 Ų144.860%0.60481%0.809SS**  46.7127.5129.1-169.2-6.1000121.8N831N829-N831 PolarHBondContact OD1-N 2.99Å; N829-N831 PolarHBondContact OD1-OD1 3.3Å
830K39.8Very low39.9Very low213 Ų213146.2 Ų146.293%0.92681%0.808SS**  trans-146.6101.5138.4-114.2170.2-173.6176.30114.3
831N38.2Very low40.2Very low124 Ų124143.8 Ų143.866%0.66380%0.804SS**  trans-41.6136.4167.6-75.3-15.3000115.5N829N829-N831 PolarHBondContact OD1-N 2.99Å; N829-N831 PolarHBondContact OD1-OD1 3.3Å
832S39.5Very low40.5Very low102 Ų102137.5 Ų137.571%0.71380%0.796SS**  85.7162.688.596.50000114.1
833P58.3Low41.1Very low101 Ų101140.1 Ų140.166%0.65680%0.796SS**  -145.7176.359.941.6-21.6000118.1
834H39.9Very low41.7Very low180 Ų180142.7 Ų142.783%0.83379%0.794SS**  trans23.2143.1153.2-54.8-46.5000121.3
835R44Very low42Very low240 Ų240146.7 Ų146.791%0.90680%0.799SS**  cis-166.6152.448.2-142.6179.6-161.3174.63.2110.3
836G42.9Very low41.5Very low62 Ų62147.9 Ų147.964%0.63980%0.795SS**  trans-97.3-153.8156.200000110.3
837P55.3Low42.4Very low129 Ų129154.9 Ų154.984%0.83881%0.806SS**  cis-133.2169.4-13.441.4-27.5000113.5
838Q42.8Very low42.9Very low269 Ų269150.7 Ų150.7100%1.25780%0.8SS**  -160.10125.7-139.8169.9-500111.1

Retrieved 838 of 838 residues in 110.1 ms (Link to these results)