A0A096NIR7_PAPAN Loading...

NADH:ubiquinone oxidoreductase subunit V3

AlphaFold DB , UniProt , Accession A0A096NIR7, Species PAPAN (Papio anubis, Olive baboon), Gene NDUFV3, Length 473 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
1M36Very low43.6Very low240 Ų240156.9 Ų156.9100%1.18284%0.842SS**  0135.70-53.4-48.8-17200108.4
2A37.6Very low43.6Very low91 Ų91152.8 Ų152.875%0.75285%0.846SS**  cis-158.7153.1-20.100000108.1
3V45.9Very low43.4Very low128 Ų128146.5 Ų146.578%0.77684%0.837SS**  trans-96.4146.4169.81790000108.5
4P53.4Low43.3Very low119 Ų119143.3 Ų143.377%0.77384%0.837SS**  trans-128.2128.5141.634.4-24.4000112
5C43.3Very low43.3Very low113 Ų113145.3 Ų145.376%0.76484%0.842SS**  trans-73.9150.4165-57.80000109.9
6L52.6Low43.3Very low182 Ų182148.8 Ų148.895%0.95384%0.844SS**  trans-115134158.1-77.8173.3000109.6
7L47.4Very low43.4Very low151 Ų151145.9 Ų145.979%0.79184%0.843SS**  trans-121.5147.3-170.6-170.681.8000109.1
8R41.4Very low43.3Very low212 Ų212145.1 Ų145.180%0.884%0.84SS**  trans65.6159.6179.5-70.6168.7157-118-1.1113
9Q41.1Very low43.1Very low165 Ų165145.7 Ų145.777%0.77184%0.839SS**  cis-144.9143.718.8-162.5152.3-44.100111.5
10G40.5Very low42.8Very low73 Ų73147.6 Ų147.675%0.75384%0.84SS**  trans-82.2168.8-175.900000115
11R40.8Very low42.7Very low252 Ų252148.6 Ų148.695%0.95184%0.837SS**  trans-127.8128.9161.1-68-171.7179.3-1410108.7
12A43.2Very low42.8Very low108 Ų108141.6 Ų141.689%0.89382%0.818SS**  trans-79.8129.2177.100000110.6
13G40.8Very low43Very low70 Ų70145.4 Ų145.472%0.72282%0.82SS**  trans-82.4119.7169.200000110.4L15G13-L15 PolarHBondContact O-N 3.23Å; G13-L15 VanDerWaalsContact O-N 3.13Å
14A42.8Very low42.6Very low102 Ų102145.9 Ų145.984%0.84382%0.823SS**  trans-77.597.1179.800000111.3K16A14-K16 PolarHBondContact O-N 3.48Å
15L43Very low41.9Very low173 Ų173149.6 Ų149.691%0.90683%0.827SS**  trans-76.1107.2172.1-68.7175.5000110.3G13 A17G13-L15 PolarHBondContact O-N 3.23Å; G13-L15 VanDerWaalsContact O-N 3.13Å; L15-A17 PolarHBondContact O-N 3.12Å; L15-A17 VanDerWaalsContact O-N 3.13Å
16K43.1Very low41.6Very low202 Ų202156 Ų15688%0.87884%0.836SS**  trans-74.395.7167.1-75.7-170.5175.5-174.50109.9A14 V18A14-K16 PolarHBondContact O-N 3.48Å; K16-V18 PolarHBondContact O-N 2.95Å
17A45.3Very low40.7Very low99 Ų99150.8 Ų150.882%0.81883%0.826SS**  trans-71.2118.3161.400000109.1L15 L19L15-A17 PolarHBondContact O-N 3.12Å; L15-A17 VanDerWaalsContact O-N 3.13Å; A17-L19 PolarHBondContact O-N 3.22Å
18V40.5Very low40.3Very low131 Ų131152 Ų15279%0.79483%0.832SS**  trans-86.1106167.1175.90000107.1K16 Q20K16-V18 PolarHBondContact O-N 2.95Å; V18-Q20 PolarHBondContact O-N 3.3Å
19L39.6Very low40Very low158 Ų158146.8 Ų146.883%0.82783%0.834SS**  trans-76.5109.3173.3-164.676.5000108.3A17 E21A17-L19 PolarHBondContact O-N 3.22Å; L19-E21 PolarHBondContact O-N 3.13Å
20Q37.8Very low39.8Very low183 Ų183144 Ų14486%0.85583%0.833SS**  trans-93.487.9178.2-164.7165.621.500110.1V18V18-Q20 PolarHBondContact O-N 3.3Å
21E40.9Very low39.6Very low168 Ų168146.9 Ų146.979%0.78584%0.836SS**  trans-73.5127.7177.1-167.5169.7-14000110.5L19L19-E21 PolarHBondContact O-N 3.13Å
22A38.3Very low39.2Very low94 Ų94140.2 Ų140.278%0.77782%0.823SS**  trans-148.369.1-174.800000112.3
23Q40.9Very low38.8Very low170 Ų170140.5 Ų140.579%0.79482%0.819SS**  trans-79.6135.6157.9-67.7-173.1-0.900109.9
24V37Very low38.7Very low138 Ų138145 Ų14584%0.83683%0.825SS**  -178.9141.2121151.60000109.2
25F40.1Very low38.4Very low197 Ų197146.1 Ų146.186%0.86483%0.827SS**  trans-66.7147.9-174.8-63.7-106.2000114.9
26R36.2Very low38Very low248 Ų248142.6 Ų142.694%0.93682%0.823SS**  trans-151.8119.9138.9-171.8156.6-77.4-108.80.6113.4
27G34.6Very low37.5Very low72 Ų72142.6 Ų142.674%0.74283%0.826SS**  trans-29.9146.6-176.900000121.6
28L39Very low36.9Very low178 Ų178142.4 Ų142.493%0.93282%0.824SS**  trans-108.9121.1153.5-69.8174.5000108.8
29A35.4Very low36.4Very low101 Ų101139.6 Ų139.684%0.83582%0.822SS**  trans-91.8120.5166.900000108.6
30S35.2Very low36.4Very low108 Ų108141.3 Ų141.376%0.75582%0.823SS**  trans-108.9100176.2-169.40000109.9V32S30-V32 PolarHBondContact O-N 3.49Å
31T36.2Very low36.3Very low132 Ų132140.4 Ų140.481%0.8182%0.824SS**  trans-87.995.3175.651.20000109.9
32V33.7Very low35.9Very low113 Ų113139 Ų13969%0.68582%0.817SS**  trans-97107.5169.3179.20000108.6S30 L34S30-V32 PolarHBondContact O-N 3.49Å; V32-L34 PolarHBondContact O-N 3.13Å
33S34.5Very low35.7Very low114 Ų114142.7 Ų142.780%0.79782%0.816SS**  trans-77.8113.4177-58.80000110.7
34L39.1Very low35.2Very low165 Ų165138.5 Ų138.586%0.86482%0.818SS**  trans-98.1105.6166.3-67.7178.2000109.4V32 A36V32-L34 PolarHBondContact O-N 3.13Å; L34-A36 PolarHBondContact O-N 3.42Å
35S35.8Very low34.9Very low125 Ų125140.9 Ų140.987%0.87482%0.82SS**  trans-82.3103.3172.252.10000110.3
36A33.9Very low35.4Very low99 Ų99136.2 Ų136.282%0.81881%0.809SS**  trans-94.2116.9167.300000109.5L34L34-A36 PolarHBondContact O-N 3.42Å
37E33Very low35.3Very low201 Ų201134 Ų13494%0.93981%0.809SS**  trans-91142.2171.3-167.1162.3130.600110.3
38A34.2Very low35.3Very low96 Ų96138.3 Ų138.379%0.79382%0.816SS**  trans-138.8118.5-165.900000113.8
39G29.5Very low35.9Very low72 Ų72135 Ų13574%0.74281%0.805SS**  trans179.1151.816200000110.6
40K39.3Very low35.5Very low194 Ų194139.9 Ų139.984%0.84381%0.808SS**  cis160.6157.7-12.4-114.6179.1-178-1780103.9
41N35.9Very low35.6Very low163 Ų163144.8 Ų144.887%0.87282%0.815SS**  trans81.7157.8178.59530.8000114.9
42E32.3Very low35.4Very low139 Ų139147.9 Ų147.965%0.6582%0.821SS**  cis-155.2158.6-49.2-138.6-156.1156.400111.1
43K33.7Very low35.4Very low172 Ų172148.1 Ų148.175%0.74883%0.827SS**  trans47.1126.7158-71.5175.8-178.9111.10120.9
44G29.6Very low35.6Very low82 Ų82148.6 Ų148.685%0.84583%0.828SS**  trans156122.5152.600000115.1
45Q31Very low35.8Very low188 Ų188146.7 Ų146.788%0.87983%0.825SS**  trans-154.5169.7175.9-143.5-149.6-11.800109.9
46P52.3Low35.8Very low98 Ų98150.1 Ų150.164%0.63682%0.824SS**  -113.3167-81.837-26.1000113.5
47Q33.6Very low35.7Very low201 Ų201151.7 Ų151.794%0.93982%0.819SS**  trans-142.6171.4158.8-74-155.8-5.300113.2
48N33.4Very low35.7Very low163 Ų163145.3 Ų145.387%0.87279%0.793SS**  trans-96.4166.9-151.1-95.9-53.6000117.2
49P52.2Low35.6Very low110 Ų110145.8 Ų145.871%0.71479%0.786SS**  trans-98.7158.8-172.838.5-36.1000115.5
50K27.9Very low35.7Very low203 Ų203147.2 Ų147.288%0.88377%0.773SS**  trans-174.7130.1156.1-118.7171.7-177.4175.20114.5
51K36.6Very low35.9Very low210 Ų210143.6 Ų143.691%0.91377%0.77SS**  172.5158.7124.7-94.5165.9-177.3179.80113
52Q31.4Very low35.6Very low198 Ų198144.7 Ų144.793%0.92577%0.767SS**  trans-108.2168.2-171.4-61.4154.9-87.500112.9
53S35Very low35.5Very low117 Ų117143.1 Ų143.182%0.81876%0.759SS**  trans-146.6145.2151540000111.3
54P38.7Very low35.5Very low125 Ų125145.9 Ų145.981%0.81277%0.765SS**  trans-111.2166.7-179.540.1-33.7000114.8
55P43.1Very low35.5Very low124 Ų124145.5 Ų145.581%0.80576%0.761SS**  trans-105.1168.9-176.540.2-35.5000115.9
56K34.9Very low35.9Very low197 Ų197145.6 Ų145.686%0.85776%0.759SS**  trans-146.5137.1162-64.3-169177.6-169.10107.6
57N33.1Very low34.9Very low132 Ų132147.7 Ų147.771%0.70676%0.764SS**  69.5139.656.9-79.813.9000115.2
58V32.8Very low34.8Very low67 Ų67146.3 Ų146.341%0.40676%0.762SS.*  cis-168.6-164.7-24.593.60000111.1L400 E401V58-L400 HydrophobicContact CB-CD1 4.16Å; V58-L400 HydrophobicContact CG1-CD1 3.73Å; V58-L400 HydrophobicContact CG2-CD1 3.45Å; V58-L400 VanDerWaalsContact CG2-CD1 3.45Å; V58-E401 WeakPolarHBondContact CG1-OE1 3.3Å
59V32Very low34.6Very low106 Ų106142.6 Ų142.664%0.64275%0.754SS**  trans72.5133.7178.1-164.20000114.9
60E30.2Very low33.4Very low102 Ų102143.2 Ų143.248%0.47776%0.756SS.*  cis110.3141.614.8-141.5141.5-122.600115.2S398 K399E60-S398 PolarHBondContact OE1-OG 3.4Å; E60-K399 VanDerWaalsContact CD-CE 3.49Å; E60-K399 WeakPolarHBondContact OE1-CD 3.43Å; E60-K399 WeakPolarHBondContact OE1-CE 3.34Å; E60-K399 IonicContact OE1-NZ 3.07Å; E60-K399 PolarHBondContact OE1-NZ 3.37Å; E60-K399 WeakPolarHBondContact OE2-CD 3.46Å; E60-K399 WeakPolarHBondContact OE2-CE 3.49Å; E60-K399 IonicContact OE2-NZ 3.64Å; E60-K399 PolarHBondContact OE2-NZ 3.37Å
61P44.6Very low33.6Very low119 Ų119141.9 Ų141.977%0.77375%0.753SS**  trans-119172.5-156.644-35.6000117.9
62K28.6Very low33Very low185 Ų185139 Ų13980%0.80474%0.743SS**  trans-154.1165.8166.5-92.1-157.2171.3-138.90109.9
63E30.3Very low32.8Very low106 Ų106134 Ų13450%0.49573%0.734SS.*  cis-174.4137.1-27.7169.3175.9-17300108.6
64R34.7Very low32.7Very low231 Ų231132.8 Ų132.887%0.87273%0.732SS**  trans63.4167.7170-69.4167.7-155.3-123.3-0.6118.4
65G29.4Very low32.4Very low73 Ų73135.3 Ų135.375%0.75373%0.733SS**  trans-169.5-70.1179.800000117.2
66K39.1Very low32Very low191 Ų191136.4 Ų136.483%0.8373%0.731SS**  trans60.7117.5175.4-87.4-164.3170-168.30120.6
67L31.5Very low31.9Very low142 Ų142130.7 Ų130.774%0.74372%0.716SS**  trans79.9156.2133.5-61174.6000122.6
68L32Very low32.1Very low171 Ų171131.9 Ų131.990%0.89572%0.715SS**  trans75147.4168.9-55.8176000117.1
69A27.8Very low32.3Very low86 Ų86135.7 Ų135.771%0.71173%0.733SS**  cis-162.6165.9-21.300000112.6
70T28.7Very low32.4Very low122 Ų122138.9 Ų138.975%0.74875%0.746SS**  trans-20.3133.6167.6-40.40000120.3
71Q31.2Very low32.3Very low176 Ų176139.5 Ų139.582%0.82276%0.761SS**  166.8171.6119.9-91.2-163.7-38.500112.4
72E24.8Very low31.9Very low150 Ų150138.9 Ų138.970%0.70176%0.759SS**  178.2134.1-53.6172.3166.9-165.900111
73A26.8Very low32.8Very low91 Ų91136.5 Ų136.575%0.75276%0.763SS**  trans63.9167.115700000123.1
74A33Very low32.9Very low93 Ų93134.8 Ų134.877%0.76977%0.774SS**  trans63.4116.3173.300000117.7
75E32.7Very low33Very low177 Ų177129.8 Ų129.883%0.82778%0.775SS**  cis94.5155.739.4-74.2-153.8150.600115.4
76L34.4Very low33.4Very low148 Ų148136.9 Ų136.978%0.77578%0.78SS**  trans81145169.5-54.2172.9000118.1
77S32.7Very low34.1Very low76 Ų76133.5 Ų133.553%0.53178%0.777SS.*  cis-171.8159.1-21.859.50000115.3
78K36.5Very low34.9Very low158 Ų158132.9 Ų132.969%0.68778%0.782SS**  trans69.797.9146.4-63.9147-154.5143.80122.3
79N37.9Very low35.1Very low147 Ų147129.3 Ų129.379%0.78678%0.777SS**  66.5159.3113.5-62.7-24.8000124.5
80L32.8Very low35.7Very low173 Ų173129.9 Ų129.991%0.90678%0.782SS**  trans80136.7172.5-48.9-179.7000115.4
81S28.3Very low36.3Very low114 Ų114131 Ų13180%0.79778%0.783SS**  cis-153.9159.9-8.4-174.70000110.8
82S37.4Very low37Very low106 Ų106133 Ų13374%0.74179%0.79SS**  trans-95167.7166.5-490000111.7
83P46.2Very low37.5Very low135 Ų135129.8 Ų129.888%0.87780%0.797SS**  -146-172.98541-24.5000114.7
84G32.8Very low37.7Very low71 Ų71129 Ų12973%0.73280%0.797SS**  trans-168.5173.3170.100000113.1
85S37.9Very low37.7Very low126 Ų126133.9 Ų133.988%0.88181%0.806SS**  trans-173.9167.9166.849.70000113.5
86Y37.8Very low38.1Very low222 Ų222131.6 Ų131.687%0.87180%0.804SS**  trans-101.5164-175-78.2-105.6000113.8
87P53.7Low38.2Very low119 Ų119129.3 Ų129.377%0.77381%0.806SS**  trans-105162.91498.512.9000113.3
88P47.3Very low38.2Very low129 Ų129130.7 Ų130.784%0.83882%0.816SS**  trans-115.4179.3-15842.7-34.6000116.6
89A37.2Very low38.7Very low96 Ų96129.4 Ų129.479%0.79382%0.824SS**  trans-89.3161.6171.800000113.6
90A39.3Very low38.5Very low99 Ų99129.5 Ų129.582%0.81882%0.819SS**  trans-146.8156.417500000112.3
91N42.5Very low39.1Very low145 Ų145127.1 Ų127.178%0.77581%0.814SS**  trans-122.1140.9-157.1-41.4-41.3000114
92K44.4Very low39.4Very low219 Ų219126.4 Ų126.495%0.95281%0.809SS**  trans177.3147155.5-92.8142.6-172.21800107.5
93G35.8Very low39.4Very low82 Ų82125.2 Ų125.285%0.84581%0.814SS**  cis128.878.7-100000112.3
94G31Very low39.1Very low73 Ų73124.1 Ų124.175%0.75381%0.809SS**  trans177.2105178.400000117.6
95M33.7Very low39.4Very low197 Ų197126.3 Ų126.397%0.9781%0.808SS**  trans53.6140.4145.6-69.5166.963.100123
96V41.2Very low39.4Very low129 Ų129127.9 Ų127.978%0.78281%0.805SS**  trans-84.4143.4173.9173.90000111.2
97A35.1Very low39.2Very low100 Ų100126.6 Ų126.683%0.82681%0.805SS**  trans-144.2104.716200000110.9
98S32.5Very low38.4Very low104 Ų104127 Ų12773%0.72781%0.805SS**  trans-82.9132.1176.6-54.30000111.1H100S98-H100 PolarHBondContact O-N 3.41Å
99P47.9Very low38.4Very low131 Ų131128.9 Ų128.985%0.85181%0.808SS**  trans-75.5107.7174.229.4-32.5000110.9
100H32.7Very low39.1Very low150 Ų150133 Ų13369%0.69481%0.811SS**  trans-79.6130.1174.4-175.8-78.1000111.3S98 S102S98-H100 PolarHBondContact O-N 3.41Å; H100-S102 PolarHBondContact CE1-OG 3.33Å; H100-S102 VanDerWaalsContact CE1-OG 3.23Å; H100-S102 PolarHBondContact ND1-N 3.05Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.36Å; H100-S102 VanDerWaalsContact O-N 3.12Å
101P46.2Very low39.7Very low123 Ų123132.2 Ų132.280%0.79981%0.812SS**  trans-82.387.4175.633.3-33.2000111.1
102S35.1Very low40.1Very low99 Ų99131.4 Ų131.469%0.69281%0.812SS**  trans-100.4113164.9-68.70000109.8H100H100-S102 PolarHBondContact CE1-OG 3.33Å; H100-S102 VanDerWaalsContact CE1-OG 3.23Å; H100-S102 PolarHBondContact ND1-N 3.05Å; H100-S102 PolarHBondContact ND1-OG 3.38Å; H100-S102 PolarHBondContact O-N 3.36Å; H100-S102 VanDerWaalsContact O-N 3.12Å
103G36.3Very low40Very low81 Ų81126.5 Ų126.584%0.83580%0.803SS**  trans-79.7145.4174.900000112.5
104S40.5Very low41.1Very low112 Ų112131.2 Ų131.278%0.78380%0.8SS**  trans-120.8113.2155.548.50000108.3
105V39.8Very low41.6Very low117 Ų117133.2 Ų133.271%0.70980%0.801SS**  trans-87.3116.2176.7179.10000107.9F107V105-F107 HydrophobicContact CG1-CD2 3.6Å; V105-F107 HydrophobicContact CG1-CE2 3.61Å
106L37.1Very low42.4Very low158 Ų158131.1 Ų131.183%0.82779%0.791SS**  trans-123.8101.1167.6-70.4177.1000108.5
107F34.3Very low42.9Very low195 Ų195129.9 Ų129.986%0.85579%0.788SS**  trans-76.3131163.7-79.3-87000108.8V105V105-F107 HydrophobicContact CG1-CD2 3.6Å; V105-F107 HydrophobicContact CG1-CE2 3.61Å
108T37.1Very low43.9Very low128 Ų128136.4 Ų136.479%0.78579%0.791SS**  trans-120.7137.8161.950.20000108.7E110T108-E110 PolarHBondContact O-N 3.36Å
109D47Very low45.2Very low169 Ų169141 Ų14190%0.90480%0.798SS**SBendtrans-8081.9-169.7-173.229.4000112.5
110E51.3Low45.9Very low183 Ų183140.6 Ų140.686%0.85579%0.793SS**  trans-168.3127.1147.4-112.4-171.4160.900110.1T108 V112T108-E110 PolarHBondContact O-N 3.36Å; E110-V112 PolarHBondContact O-N 3.27Å
111G51.3Low46.9Very low81 Ų81141.1 Ų141.184%0.83580%0.8SS**  trans-96.685.6-163.900000116.8
112V51.7Low47Very low128 Ų128140.2 Ų140.278%0.77679%0.792SS**  trans-147.3121.8152.1-1800000111.4E110 K114E110-V112 PolarHBondContact O-N 3.27Å; V112-K114 PolarHBondContact O-N 3.28Å
113P41.8Very low48.3Very low116 Ų116143.7 Ų143.775%0.75380%0.798SS**  trans-75.8112.9171.830-32.8000111.8C115P113-C115 PolarHBondContact O-N 2.69Å; P113-C115 VanDerWaalsContact O-N 3.1Å
114K59.8Low49Very low181 Ų181147.8 Ų147.879%0.78779%0.793SS**  trans-80.786.7-179.2-170.5173.1-176.1172.40112.2V112 M116V112-K114 PolarHBondContact O-N 3.28Å; K114-M116 PolarHBondContact O-N 2.99Å; K114-M116 VanDerWaalsContact O-N 3.15Å
115C41.8Very low49.8Very low115 Ų115148.3 Ų148.378%0.77779%0.794SS**  trans-59.7113177.8-72.40000113P113 S117P113-C115 PolarHBondContact O-N 2.69Å; P113-C115 VanDerWaalsContact O-N 3.1Å; C115-S117 PolarHBondContact O-N 3.21Å
116M50.6Low50.3Low153 Ų153151.4 Ų151.475%0.75480%0.8SS**  trans-83.5101.9171.7-67.9-89.374.500110.2K114 R118K114-M116 PolarHBondContact O-N 2.99Å; K114-M116 VanDerWaalsContact O-N 3.15Å; M116-R118 PolarHBondContact O-N 3.33Å
117S51.8Low50.7Low103 Ų103153.5 Ų153.572%0.7280%0.803SS**  trans-73.293.9-178.145.90000112.6C115 K119C115-S117 PolarHBondContact O-N 3.21Å; S117-K119 PolarHBondContact O-N 3.15Å
118R54.9Low51.1Low238 Ų238151 Ų15190%0.89880%0.803SS**  trans-67.992.2167.5-72.7-176.3173-176.5-2.1110.2M116 T120M116-R118 PolarHBondContact O-N 3.33Å; R118-T120 PolarHBondContact O-N 3.19Å; R118-T120 VanDerWaalsContact O-N 3.17Å
119K61.3Low51.3Low201 Ų201151.2 Ų151.287%0.87480%0.804SS**  trans-71.7101.1169.6-69.7-173.3177.4-175.80110.1S117S117-K119 PolarHBondContact O-N 3.15Å
120T61.6Low50.8Low121 Ų121147.6 Ų147.674%0.74279%0.792SS**  trans-74.7117.716146.90000108.7R118 V122R118-T120 PolarHBondContact O-N 3.19Å; R118-T120 VanDerWaalsContact O-N 3.17Å; T120-V122 PolarHBondContact O-N 3.1Å
121L53.8Low50.4Low162 Ų162145.1 Ų145.185%0.84879%0.792SS**  trans-67.3120.7172.7-173.471.5000108.7
122V48.1Very low49.6Very low104 Ų104151.2 Ų151.263%0.6380%0.796SS**  trans-90105.4171.4177.20000107.6T120 F124T120-V122 PolarHBondContact O-N 3.1Å; V122-F124 HydrophobicContact CG1-CD2 4.39Å; V122-F124 HydrophobicContact CG1-CE2 4.06Å; V122-F124 HydrophobicContact CG1-CZ 4.45Å
123E62.3Low49.1Very low172 Ų172155 Ų15580%0.80480%0.796SS**  trans-83.1116.8175.9-171.2171.6179.600109.7
124F51.8Low49.1Very low167 Ų167159 Ų15973%0.73280%0.802SS**  trans-83.7131.3174.3-76.1-94.6000109.7V122 Q126V122-F124 HydrophobicContact CG1-CD2 4.39Å; V122-F124 HydrophobicContact CG1-CE2 4.06Å; V122-F124 HydrophobicContact CG1-CZ 4.45Å; F124-Q126 PolarHBondContact O-N 3.37Å; F124-Q126 VanDerWaalsContact O-N 3.14Å
125P55.9Low48.1Very low123 Ų123159 Ų15980%0.79980%0.804SS**  trans-65.6115.6-177.925.9-33.7000110.9
126Q51.4Low47.7Very low181 Ų181156.8 Ų156.885%0.84680%0.801SS**PPolyproline II helixtrans-73144177.3-62.9-175200110.9F124 V128F124-Q126 PolarHBondContact O-N 3.37Å; F124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-V128 PolarHBondContact O-N 2.97Å
127K46Very low47.1Very low202 Ų202154.7 Ų154.788%0.87880%0.802SS**PPolyproline II helixtrans-76123.1179.8-65.6-175.6179.4-178.30110.2
128V42.3Very low46.2Very low144 Ų144156.7 Ų156.787%0.87380%0.804SS**PPolyproline II helixtrans-71.8130.6176.2-179.60000110Q126Q126-V128 PolarHBondContact O-N 2.97Å
129V41Very low45.2Very low131 Ų131150.9 Ų150.979%0.79480%0.8SS**  trans-107.5132.9168.3-179.90000108.2
130S36.8Very low43.8Very low94 Ų94150.5 Ų150.566%0.65780%0.801SS**PPolyproline II helixtrans-79.6139.2-177.949.50000112.4
131P41.7Very low42.3Very low131 Ų131148.4 Ų148.485%0.85180%0.797SS**PPolyproline II helixtrans-74.4132.1178.230.4-34.2000112
132F36.4Very low41.2Very low208 Ų208148.5 Ų148.591%0.91280%0.797SS**PPolyproline II helixtrans-82.1157.5174.2-120-99.1000112.2
133R39.8Very low40.4Very low207 Ų207153.7 Ų153.778%0.78181%0.805SS**  trans-115.1119.6178.1-175.3-177.3-178-78.72.4109.6
134K41.2Very low39Very low201 Ų201151.4 Ų151.487%0.87480%0.803SS**  trans-69.3166178.2-80.6-162.8172.4-164.20113.2
135Q39.7Very low38Very low180 Ų180146.3 Ų146.384%0.84180%0.797SS**  trans107.8119.2172.4-170.5-18019.200112.9
136G33.7Very low36.8Very low70 Ų70152.4 Ų152.472%0.72280%0.804SS**  cis156.7160.3-7.300000113
137S37.5Very low35.8Very low109 Ų109153.2 Ų153.276%0.76281%0.805SS**  trans87.294.7171.1-65.30000121.2
138D32.2Very low35.2Very low144 Ų144149 Ų14977%0.7780%0.797SS**  38.8117.8120.7-21.9-46.4000121.4
139S34.5Very low34.8Very low116 Ų116148.2 Ų148.281%0.81179%0.792SS**  154.6123.8115.6-67.10000117.2
140E31.1Very low34.5Very low193 Ų193146.9 Ų146.990%0.90279%0.789SS**  trans62.7151.9143.3-129-166.9118.200124.8
141A31.3Very low34.7Very low78 Ų78148.5 Ų148.565%0.64580%0.797SS**  trans83.384.4147.300000122.9
142L31.1Very low34.5Very low163 Ų163147.3 Ų147.385%0.85379%0.792SS**  54.1103.3110.8-163.898.5000120.3
143R30.9Very low34.7Very low213 Ų213142.6 Ų142.680%0.80479%0.785SS**  161.6128.9114.5-85.1-160.987.7146.76.1115.8G145R143-G145 PolarHBondContact O-N 3.03Å
144V33.2Very low34.5Very low124 Ų124137.7 Ų137.775%0.75278%0.782SS**  trans24.292.7130.6-1660000118.6
145G29.7Very low34.3Very low60 Ų60133.6 Ų133.662%0.61978%0.778SS**  69.7104.597.400000120.7R143R143-G145 PolarHBondContact O-N 3.03Å
146R30.6Very low34.1Very low251 Ų251130.2 Ų130.295%0.94778%0.775SS**  trans72.1116.6145.7-49.7178.374.5-159.14.5119.1
147K30.9Very low34.3Very low198 Ų198132 Ų13286%0.86178%0.776SS**  trans-155.3157.8150.6-152.9-167173.3-174.60112.3
148V33.2Very low34.4Very low115 Ų115132 Ų13270%0.69778%0.777SS**  trans77.1109.2162.1-154.90000118.5
149T33.6Very low34.6Very low126 Ų126130.1 Ų130.177%0.77377%0.774SS**  trans2.9142130.8-32.40000119.7
150S36Very low34.8Very low104 Ų104129.3 Ų129.373%0.72777%0.769SS**  trans-60.5154.8165.1-35.40000113.1
151P40.2Very low35.2Very low127 Ų127127.4 Ų127.483%0.82577%0.765SS**  -126.4168.9105.737.3-33.3000113.3
152S37.7Very low35.6Very low107 Ų107128.1 Ų128.175%0.74877%0.765SS**  trans-89.5143.9-167.5-50.70000114.7
153S39.6Very low35.7Very low109 Ų109128.6 Ų128.676%0.76276%0.763SS**  trans54.6128.6147.5-44.30000118.5
154S37Very low36.1Very low104 Ų104122.8 Ų122.873%0.72776%0.755SS**  cis-170160.245.1-48.70000113.4
155S35.7Very low36.7Very low114 Ų114123.9 Ų123.980%0.79776%0.756SS**  trans77.4134.5147.4-560000122.2
156S36.7Very low37.1Very low109 Ų109127.3 Ų127.376%0.76276%0.761SS**  trans92.5105.8147.2-57.40000121.8
157S37.4Very low38.1Very low107 Ų107123.4 Ų123.475%0.74875%0.753SS**  trans65.2118.4134.559.10000123.5
158S38.6Very low38.5Very low111 Ų111118.2 Ų118.278%0.77675%0.748SS**  trans91129.1135.5-59.60000122.6
159S37.5Very low38.6Very low103 Ų103119.4 Ų119.472%0.7275%0.75SS**  trans66.9110.3141.754.90000123.4
160S38Very low38.8Very low100 Ų100118.9 Ų118.970%0.69975%0.746SS**  92.5159.8124.8-57.50000121.9
161D41.2Very low38.9Very low152 Ų152119.4 Ų119.481%0.81375%0.75SS**  trans67.5146.7166.4-43.3-34.8000116.2
162S38.2Very low38.6Very low94 Ų94122.6 Ų122.666%0.65775%0.754SS**  cis-166.9-175.5-20.1-83.20000105.6
163E34.6Very low38.5Very low172 Ų172123.6 Ų123.680%0.80476%0.755SS**  cis-149-176.6-16.549.6-80.1116.400106.8
164S37.5Very low38.5Very low91 Ų91124.7 Ų124.764%0.63676%0.757SS**  cis-130-104.10.2176.80000109.6
165D45.9Very low38.7Very low147 Ų147125.4 Ų125.479%0.78676%0.76SS**  cis-170.8149.6-17.9-138.937.9000108.3
166D38.8Very low38.4Very low132 Ų132131 Ų13171%0.70676%0.763SS**  -138.3-148.9-61.9-154.3-85.5000109.7
167E51.2Low38.2Very low169 Ų169132 Ų13279%0.7976%0.764SS**  trans89.8104.4177.2-59.1-64.1125.100118.7
168A39.7Very low38Very low90 Ų90132.9 Ų132.974%0.74477%0.765SS**  46.9140.9127.600000122
169D35.1Very low38.2Very low140 Ų140133.1 Ų133.175%0.74977%0.767SS**  cis-164.8177.5-7-17623.6000108.9
170V37.6Very low38.2Very low115 Ų115138.1 Ų138.170%0.69778%0.776SS**  trans52.7111.2169.6-71.80000118.6
171S38.3Very low37.9Very low114 Ų114137 Ų13780%0.79778%0.78SS**  80110.466-68.60000115.1
172E34Very low37.7Very low195 Ų195142 Ų14291%0.91179%0.787SS**  172.4156.8112.3-170.8157.6-168.800111.3
173V36.3Very low37.3Very low128 Ų128141.5 Ų141.578%0.77680%0.796SS**  trans-109.4141.6-173.8155.80000112.2
174T38.6Very low37.3Very low131 Ų131137.1 Ų137.180%0.80480%0.797SS**  trans-67.6147176.664.80000114
175P42.1Very low37.2Very low120 Ų120141 Ų14178%0.77981%0.81SS**  trans-126.9104.9157.534.6-21.4000114.5
176R29.6Very low36.6Very low230 Ų230146 Ų14687%0.86882%0.818SS**  46.6107.5118.6-163.4-176.9-167.4-157.74.7120.5
177V31.6Very low36.4Very low130 Ų130149 Ų14979%0.78883%0.825SS**  trans26.8126.5132.1-1590000119.9
178V34.4Very low36.1Very low126 Ų126145.4 Ų145.476%0.76482%0.816SS**  165.7121.2121.2157.60000112.4
179S42.6Very low35.5Very low117 Ų117149.7 Ų149.782%0.81882%0.821SS**  trans173.4148.9136.641.40000109.4
180K37.5Very low35.1Very low208 Ų208147.1 Ų147.190%0.90482%0.819SS**  cis136.680.8-7.5-178.5176.6-176.6178.80107.6
181G32Very low34.8Very low76 Ų76146.6 Ų146.678%0.78482%0.821SS**  trans-145.7135.5-176.300000113.4
182R35.9Very low34.5Very low258 Ų258152.8 Ų152.897%0.97483%0.826SS**  trans-63.3154.2176.5-55.5150-175.9-963.7109.9
183G30.6Very low34.3Very low82 Ų82148.4 Ų148.485%0.84582%0.817SS**  cis131.4133.66.500000110.4
184G33Very low34.3Very low80 Ų80147.9 Ų147.983%0.82582%0.82SS**  trans147.4110.4177.800000114.3
185L36.3Very low33.8Very low174 Ų174150.6 Ų150.691%0.91182%0.823SS**  trans-82145.4163.3-66.2162.4000109.1
186R34.1Very low33.4Very low252 Ų252149.9 Ų149.995%0.95182%0.821SS**  -170.7132.9121.8-78.9-128.7178.7-177.50112.5
187K33.5Very low33.5Very low193 Ų193150.6 Ų150.684%0.83982%0.824SS**  trans-91.7175.3156.2-106.1-177.1-179.3-174.10108.1
188P45.6Very low33.5Very low94 Ų94148.4 Ų148.461%0.6182%0.82SS**  cis-138.8-178.9-1036.1-15.8000115.6
189E26.8Very low34.3Very low180 Ų180147.8 Ų147.884%0.84182%0.818SS**  trans68.7164.4136-86.1172107.500125.6
190A25.9Very low33.8Very low87 Ų87154.4 Ų154.472%0.71983%0.825SS**  trans72.776.6155.400000120
191S32.3Very low33.5Very low104 Ų104150 Ų15073%0.72782%0.815SS**  18.6132127.661.90000120.3
192R32.8Very low33.5Very low243 Ų243153.3 Ų153.392%0.91782%0.821SS**  -164168.2118.8-107.1159.2-160.6-131.72.7114.4
193S29.1Very low33.7Very low103 Ų103147.3 Ų147.372%0.7281%0.812SS**  trans-43.3149.9-173.9460000118.6
194S35.6Very low33.8Very low118 Ų118149.4 Ų149.483%0.82581%0.814SS**  trans-43.9144.7153.451.90000114.4
195E29.4Very low34Very low188 Ų188150 Ų15088%0.87981%0.811SS**  trans-122.3148.4162.8-168.4171.6135.200110.5
196S31.7Very low34Very low105 Ų105151.1 Ų151.173%0.73481%0.809SS**  trans-101.2133.7-172.256.20000113
197R31.9Very low34Very low244 Ų244146.1 Ų146.192%0.92180%0.796SS**  trans-154.7138.5153.7-135.3167.2-177.8145.90114.5
198A31.9Very low34.2Very low85 Ų85144.3 Ų144.370%0.70279%0.788SS**  trans-134.8179.8169.200000107.7
199P52Low33.6Very low113 Ų113145.2 Ų145.273%0.73479%0.792SS**  cis-120.3-178.7-32.934.4-19.8000111.1
200R31Very low33.7Very low256 Ų256143.6 Ų143.697%0.96679%0.788SS**  trans-138.9155.9153.8-91.3-160.8162.7-152.5-6.9111.8
201V32.1Very low34Very low115 Ų115146.3 Ų146.370%0.69779%0.79SS**  trans-121.9145.1-166.8172.30000110.3V203V201-V203 HydrophobicContact CG1-CG1 3.83Å
202T32.3Very low33.9Very low146 Ų146149.8 Ų149.890%0.89680%0.795SS**  trans-134155.5152.144.10000109.3
203V39.8Very low34Very low132 Ų132147.4 Ų147.480%0.879%0.791SS**  trans-139.4146.7-168-74.80000112.1V201V201-V203 HydrophobicContact CG1-CG1 3.83Å
204S33.5Very low34.8Very low125 Ų125147.6 Ų147.687%0.87479%0.79SS**  trans-167.3170.8154.662.70000111.1
205A35.8Very low34.4Very low93 Ų93150.4 Ų150.477%0.76979%0.79SS**  -166.4122.8-98.500000112.5
206K36.3Very low34.4Very low198 Ų198145.4 Ų145.486%0.86178%0.78SS**  trans178.4127.3158.9-99.9160.9-179.3-178.20106.4
207E33.6Very low34.4Very low146 Ų146147.7 Ų147.768%0.68278%0.784SS**  56.413375.1-64.3-148.8-7.100113.5
208K38.3Very low34.6Very low156 Ų156141.4 Ų141.468%0.67877%0.773SS**  cis-170.7156.43.8-114.5177.5-171.1142.50107.8
209T33.7Very low34.5Very low112 Ų112143.6 Ų143.669%0.68778%0.778SS**  cis-161.5160.1-8.2-17.70000109.7
210L29.2Very low33.5Very low147 Ų147141.2 Ų141.277%0.7777%0.774SS**  trans61.1122.3152.8-116.351000119.3
211L31.9Very low34.6Very low143 Ų143135.1 Ų135.175%0.74977%0.767SS**  61.9135.477.2-115.573.7000113.2
212Q29.1Very low34.3Very low177 Ų177138.7 Ų138.783%0.82778%0.777SS**  cis-149.1171.326.6-68.5-177.9-24.500114.7
213K35.1Very low34.5Very low194 Ų194140.9 Ų140.984%0.84377%0.773SS**  trans-95167.1155.7-129.6177.9-179.3179.50107.4
214P46.7Very low35.1Very low107 Ų107139.4 Ų139.470%0.69577%0.767SS**  cis-151.3-167.615.940.3-16.2000117.5
215H27.1Very low35Very low177 Ų177142.2 Ų142.282%0.81977%0.766SS**  trans76.7160.3141.2-133.9-91.4000123.1
216A30.4Very low35.1Very low83 Ų83145.5 Ų145.569%0.68677%0.765SS**  trans65.5124.8178.100000116
217D30.6Very low35.9Very low152 Ų152140.4 Ų140.481%0.81375%0.752SS**  cis85.4155.924.8-156.915000115
218V35.8Very low36Very low113 Ų113141.8 Ų141.869%0.68576%0.756SS**  trans84.796.6175.1-172.20000117.7
219T30.3Very low36.1Very low130 Ų130143.4 Ų143.480%0.79876%0.763SS**  67.7134129.5-540000121.7
220G30.9Very low36.1Very low64 Ų64148 Ų14866%0.6677%0.773SS**  trans-92.4-140.6162.200000111.7
221P54.1Low36.1Very low127 Ų127144.2 Ų144.283%0.82577%0.771SS**  cis-126.8164.7-13.440.8-27.2000113.4
222E26.9Very low36.8Very low191 Ų191143.3 Ų143.389%0.89377%0.773SS**  trans-151.3152.2161.2-133.8179.7132.100116
223K34.7Very low37.5Very low191 Ų191141.1 Ų141.183%0.8377%0.774SS**  trans-160.4167.5174.4-67.2-176.3-178173.90106.1
224P52.3Low37.3Very low102 Ų102136.7 Ų136.766%0.66277%0.774SS**  cis-129.1-168.4-2.740.5-24.3000112.4
225H31.9Very low37Very low183 Ų183141.6 Ų141.685%0.84778%0.784SS**  -162.9144.5115.1-109.1-79.5000113.3
226Q39.3Very low38.1Very low162 Ų162139.2 Ų139.276%0.75778%0.784SS**  trans-99180174.6-84.3-92.3-1500108.2
227P52.4Low38Very low91 Ų91140.8 Ų140.859%0.59179%0.79SS**  cis-160.1-172.233.243.2-19.2000120.6
228K34.8Very low38.3Very low175 Ų175143.3 Ų143.376%0.76180%0.797SS**  trans93.6137.8157.4-62.6153.5-1761680115.8
229K40Very low37.9Very low190 Ų190141.8 Ų141.883%0.82681%0.805SS**  cis-151.8143.94.9-131.2171.6-177.5-175.90113.1
230K34.2Very low38.2Very low208 Ų208144.9 Ų144.990%0.90480%0.802SS**  trans-7.2151.3160.3-56-174.6177.1-170.30118.7
231G30.4Very low38.3Very low69 Ų69149.5 Ų149.571%0.71181%0.806SS**  cis-146.9-162.731.400000117.7
232P46.2Very low37.5Very low124 Ų124150.5 Ų150.581%0.80581%0.805SS**  trans-102.5161.6-146.538.3-37.6000117.1
233P43.2Very low37.8Very low130 Ų130146 Ų14684%0.84480%0.801SS**  trans-91.3164169.437.9-35000113.1
234A30.6Very low38.2Very low102 Ų102147.2 Ų147.284%0.84380%0.8SS**  trans-142.5140.3168.600000112.6
235K40.2Very low37.3Very low209 Ų209147.7 Ų147.791%0.90980%0.803SS**  trans-159163.9167.8-75.5-167.3179-173.80106.8
236P50.4Low37.5Very low127 Ų127147.2 Ų147.283%0.82580%0.799SS**  cis-119.6-175.8-11.140.6-27.4000112.1
237S28.9Very low36.9Very low116 Ų116145.3 Ų145.381%0.81180%0.798SS**  trans-153.1140.9155.957.50000110.1
238E36.2Very low36.1Very low205 Ų205147.3 Ų147.396%0.95881%0.809SS**  trans-75.4155174.2-68.7168.598.100111.6
239G27.5Very low36.4Very low82 Ų82144.6 Ų144.685%0.84581%0.807SS**  trans-166.297.7-179.400000111.1
240R38.3Very low36.2Very low195 Ų195141 Ų14174%0.73680%0.803SS**  trans-89122.8-176.6169.9-164.7173-80.8-3110.5
241E31.7Very low36.5Very low160 Ų160143.1 Ų143.175%0.74881%0.805SS**  trans-175.5168.2131.6-106.1168.9-169.500114.7
242D36.8Very low37.2Very low148 Ų148143.4 Ų143.479%0.79180%0.796SS**  trans-81.5134.6-160.4-64.6-99.7000115.9
243A34.9Very low37.2Very low98 Ų98146 Ų14681%0.8180%0.798SS**  trans-141.195.3167.400000112P245A243-P245 WeakPolarHBondContact O-CD 2.84Å
244R42.1Very low37.1Very low215 Ų215143 Ų14381%0.81178%0.784SS**  trans-58.7119.2177.4174.2-169.3-179-169.14.7112.5K246R244-K246 PolarHBondContact O-N 2.93Å
245P33.7Very low37.6Very low113 Ų113142.8 Ų142.873%0.73477%0.768SS**  trans-70.9126166.728.9-32.3000110.4A243 T247A243-P245 WeakPolarHBondContact O-CD 2.84Å; P245-T247 PolarHBondContact O-N 3.17Å
246K35.5Very low38Very low172 Ų172138.7 Ų138.775%0.74875%0.752SS**  trans-8899.7170.5-70.9178.7-179.5174.70109.4R244 T248R244-K246 PolarHBondContact O-N 2.93Å; K246-T248 PolarHBondContact O-N 3.12Å; K246-T248 VanDerWaalsContact O-N 3.07Å
247T27.9Very low38Very low123 Ų123139.3 Ų139.376%0.75575%0.745SS**  trans-77.289.5167.8-520000109.6P245 V249P245-T247 PolarHBondContact O-N 3.17Å; T247-V249 HydrophobicContact CG2-CG2 4.28Å; T247-V249 PolarHBondContact O-N 3.27Å
248T34.9Very low39.1Very low132 Ų132141 Ų14181%0.8174%0.738SS**  trans-73.2108169.4300000110.3K246K246-T248 PolarHBondContact O-N 3.12Å; K246-T248 VanDerWaalsContact O-N 3.07Å
249V41.3Very low40Very low119 Ų119136.7 Ų136.772%0.72172%0.72SS**PPolyproline II helixtrans-91.1129.1168.8-177.20000108.6T247 R251T247-V249 HydrophobicContact CG2-CG2 4.28Å; T247-V249 PolarHBondContact O-N 3.27Å; V249-R251 PolarHBondContact O-N 3.33Å
250P35.9Very low41.3Very low115 Ų115138.7 Ų138.775%0.74771%0.706SS**PPolyproline II helixtrans-71.4123.7168.629.7-31.9000109.4S252P250-S252 PolarHBondContact O-N 3.5Å
251R39Very low42Very low251 Ų251136 Ų13695%0.94770%0.702SS**PPolyproline II helixtrans-67.1118.2171.1-94-178.8165.2176.4-6.5109.8V249V249-R251 PolarHBondContact O-N 3.33Å
252S46.7Very low43.2Very low75 Ų75130 Ų13052%0.52468%0.677SS.*PPolyproline II helixtrans-70.6131.4162.730.50000110.3P250 A254 D255P250-S252 PolarHBondContact O-N 3.5Å; S252-A254 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-OD2 3.41Å
253Q44.7Very low43.9Very low179 Ų179128.6 Ų128.684%0.83667%0.669SS**THydrogen-bonded Turntrans-72.1-19-179.3-162.8168.52.800113D255Q253-D255 PolarHBondContact O-N 3.3Å
254A41.5Very low44.9Very low66 Ų66131 Ų13155%0.54566%0.661SS.*Hα-helixtrans-66.5-28.5-175.300000115S252 E256 E257 F258S252-A254 PolarHBondContact O-N 3.07Å; A254-E256 PolarHBondContact O-N 3.21Å; A254-E257 PolarHBondContact O-N 3.27Å; A254-F258 PolarHBondContact O-N 3.33Å
255D41.8Very low45.5Very low98 Ų98126.6 Ų126.652%0.52465%0.65SS.*Hα-helixtrans-62.2-31.1-178-68.8-64.3000112.5S252 Q253 L259S252-D255 PolarHBondContact OG-OD2 3.41Å; Q253-D255 PolarHBondContact O-N 3.3Å; D255-L259 VanDerWaalsContact O-CD1 3.25Å; D255-L259 WeakPolarHBondContact O-CD1 3.35Å; D255-L259 PolarHBondContact O-N 3.38Å; D255-L259 VanDerWaalsContact O-N 3.16Å
256E49.3Very low46.7Very low123 Ų123127.7 Ų127.758%0.57564%0.643SS**Hα-helixtrans-73.9-32.2-178.1-152.9-170.9119.300112.5A254 K260A254-E256 PolarHBondContact O-N 3.21Å; E256-K260 WeakPolarHBondContact O-CD 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.26Å; E256-K260 WeakPolarHBondContact OE1-CE 3.26Å; E256-K260 IonicContact OE1-NZ 2.92Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å
257E49.8Very low47.7Very low141 Ų141125.3 Ų125.366%0.65964%0.635SS**Hα-helixtrans-75.3-39.6176.9-61.8-167.1142.400111.5A254 L259 K260 Q261A254-E257 PolarHBondContact O-N 3.27Å; E257-L259 PolarHBondContact O-N 3.45Å; E257-K260 PolarHBondContact O-N 3.39Å; E257-K260 VanDerWaalsContact O-N 3.12Å; E257-Q261 PolarHBondContact O-N 2.98Å
258F51Low48.9Very low152 Ų152124.7 Ų124.767%0.66763%0.626SS**Hα-helixtrans-62.2-42175.3-165.4-102.5000111.7A254 K260 Q261 S262A254-F258 PolarHBondContact O-N 3.33Å; F258-K260 PolarHBondContact O-N 3.26Å; F258-Q261 PolarHBondContact O-N 3.42Å; F258-S262 PolarHBondContact O-N 3.18Å
259L55.5Low49.7Very low113 Ų113124.1 Ų124.159%0.59261%0.614SS**Hα-helixtrans-60-45171.4-97.481.3000111.8D255 E257 Q261 S262 L263D255-L259 VanDerWaalsContact O-CD1 3.25Å; D255-L259 WeakPolarHBondContact O-CD1 3.35Å; D255-L259 PolarHBondContact O-N 3.38Å; D255-L259 VanDerWaalsContact O-N 3.16Å; E257-L259 PolarHBondContact O-N 3.45Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.07Å; L259-S262 PolarHBondContact O-N 2.78Å; L259-S262 PolarHBondContact O-OG 3.45Å; L259-L263 PolarHBondContact O-N 3.47Å
260K55.5Low50.6Low125 Ų125124.7 Ų124.754%0.54361%0.609SS.*Hα-helixtrans-63.7-33.4179.9-78.2165.1173.2166.70113.4E256 E257 F258E256-K260 WeakPolarHBondContact O-CD 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.43Å; E256-K260 PolarHBondContact O-N 3.26Å; E256-K260 WeakPolarHBondContact OE1-CE 3.26Å; E256-K260 IonicContact OE1-NZ 2.92Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å; E257-K260 PolarHBondContact O-N 3.39Å; E257-K260 VanDerWaalsContact O-N 3.12Å; F258-K260 PolarHBondContact O-N 3.26Å
261Q53.4Low51.4Low139 Ų139122.6 Ų122.665%0.6559%0.594SS**Hα-helixtrans-69.4-48.5170.4-74.4-176-5000111.6E257 F258 L259 L263 K264 E265E257-Q261 PolarHBondContact O-N 2.98Å; F258-Q261 PolarHBondContact O-N 3.42Å; L259-Q261 VanDerWaalsContact C-N 3.34Å; L259-Q261 PolarHBondContact O-N 3.07Å; Q261-L263 PolarHBondContact O-N 2.89Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; Q261-K264 PolarHBondContact O-N 3.16Å; Q261-K264 VanDerWaalsContact O-N 3.08Å; Q261-E265 PolarHBondContact O-N 3.45Å
262S55.2Low51.9Low32 Ų32117.8 Ų117.822%0.22458%0.58CS.*Hα-helixtrans-60.6-26.1-179.579.60000113.9F258 L259 K266F258-S262 PolarHBondContact O-N 3.18Å; L259-S262 PolarHBondContact O-N 2.78Å; L259-S262 PolarHBondContact O-OG 3.45Å; S262-K266 WeakPolarHBondContact O-CD 3.32Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 2.96Å; S262-K266 VanDerWaalsContact O-N 3.15Å
263L52.5Low52.3Low119 Ų119121.9 Ų121.962%0.62358%0.584SS**Hα-helixtrans-73.7-41.2177.1-150.4164.2000111.1L259 Q261 K266 Q267L259-L263 PolarHBondContact O-N 3.47Å; Q261-L263 PolarHBondContact O-N 2.89Å; Q261-L263 VanDerWaalsContact O-N 3.13Å; L263-K266 PolarHBondContact O-N 2.9Å; L263-Q267 PolarHBondContact O-N 3.04Å
264K56.3Low52.5Low148 Ų148118.3 Ų118.364%0.64357%0.57SS**Hα-helixtrans-66.3-39.6173.2-75.6-176.4173.1-178.60112.5Q261 Q267 L268Q261-K264 PolarHBondContact O-N 3.16Å; Q261-K264 VanDerWaalsContact O-N 3.08Å; K264-Q267 PolarHBondContact O-N 3.29Å; K264-L268 WeakPolarHBondContact O-CG 3.44Å; K264-L268 PolarHBondContact O-N 2.88Å
265E54.8Low52.9Low124 Ų124119.3 Ų119.358%0.57957%0.567SS**Hα-helixtrans-60.5-46.7175.8-170.5-172.7165.200111.4Q261 Q267 L268 Q269Q261-E265 PolarHBondContact O-N 3.45Å; E265-Q267 PolarHBondContact O-N 3.41Å; E265-L268 PolarHBondContact O-N 2.9Å; E265-Q269 WeakPolarHBondContact O-CB 3.22Å; E265-Q269 PolarHBondContact O-N 3.19Å
266K57.9Low53.2Low136 Ų136120.6 Ų120.659%0.59157%0.569SS**Hα-helixtrans-62-40.7175.6-75169.1-177.3169.70112.7S262 L263 L268 Q269 E270S262-K266 WeakPolarHBondContact O-CD 3.32Å; S262-K266 VanDerWaalsContact O-CG 3.3Å; S262-K266 WeakPolarHBondContact O-CG 3.41Å; S262-K266 PolarHBondContact O-N 2.96Å; S262-K266 VanDerWaalsContact O-N 3.15Å; L263-K266 PolarHBondContact O-N 2.9Å; K266-L268 VanDerWaalsContact C-N 3.33Å; K266-L268 PolarHBondContact O-N 3.38Å; K266-Q269 PolarHBondContact O-N 3.08Å; K266-E270 WeakPolarHBondContact O-CB 3.31Å; K266-E270 PolarHBondContact O-N 3.06Å
267Q56.1Low53.3Low122 Ų122120.2 Ų120.257%0.5757%0.57SS**Hα-helixtrans-61.9-39.5176.4-170.6176.333.900112.2L263 K264 E265 T271L263-Q267 PolarHBondContact O-N 3.04Å; K264-Q267 PolarHBondContact O-N 3.29Å; E265-Q267 PolarHBondContact O-N 3.41Å; Q267-T271 WeakPolarHBondContact O-CB 3.47Å; Q267-T271 PolarHBondContact O-N 2.74Å; Q267-T271 PolarHBondContact O-OG1 3.14Å
268L53.6Low53.1Low109 Ų109119.7 Ų119.757%0.57157%0.572SS**Hα-helixtrans-66.1-45.4173-69.5172.2000111.2K264 E265 K266 E270 T271 F272K264-L268 WeakPolarHBondContact O-CG 3.44Å; K264-L268 PolarHBondContact O-N 2.88Å; E265-L268 PolarHBondContact O-N 2.9Å; K266-L268 VanDerWaalsContact C-N 3.33Å; K266-L268 PolarHBondContact O-N 3.38Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.48Å; L268-T271 WeakPolarHBondContact O-CB 3.37Å; L268-T271 PolarHBondContact O-N 3.11Å; L268-T271 VanDerWaalsContact O-N 3.16Å; L268-F272 WeakPolarHBondContact O-CD2 3.47Å; L268-F272 PolarHBondContact O-N 3.19Å
269Q52.3Low53.3Low121 Ų121120.5 Ų120.557%0.56558%0.575SS**Hα-helixtrans-62.8-38.2179.7-163.3174.485.800112.4E265 K266 F272 R273E265-Q269 WeakPolarHBondContact O-CB 3.22Å; E265-Q269 PolarHBondContact O-N 3.19Å; K266-Q269 PolarHBondContact O-N 3.08Å; Q269-F272 PolarHBondContact O-N 2.81Å; Q269-R273 VanDerWaalsContact O-CG 3.32Å; Q269-R273 WeakPolarHBondContact O-CG 3.41Å; Q269-R273 PolarHBondContact O-N 3.35Å
270E58.8Low52.6Low130 Ų130123.8 Ų123.861%0.60759%0.587SS**Hα-helixtrans-67.5-39.5172.5-173.9168.3-150.100112.1K266 L268 F272 R273 L274K266-E270 WeakPolarHBondContact O-CB 3.31Å; K266-E270 PolarHBondContact O-N 3.06Å; L268-E270 VanDerWaalsContact C-N 3.34Å; L268-E270 PolarHBondContact O-N 3.48Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 2.78Å; E270-R273 WeakPolarHBondContact O-CB 3.09Å; E270-R273 PolarHBondContact O-N 3Å; E270-L274 PolarHBondContact O-N 3.06Å
271T54.7Low52.3Low71 Ų71122.3 Ų122.344%0.43659%0.593SS.*Hα-helixtrans-62.5-39.5173.4-56.10000111.6Q267 L268 N275Q267-T271 WeakPolarHBondContact O-CB 3.47Å; Q267-T271 PolarHBondContact O-N 2.74Å; Q267-T271 PolarHBondContact O-OG1 3.14Å; L268-T271 WeakPolarHBondContact O-CB 3.37Å; L268-T271 PolarHBondContact O-N 3.11Å; L268-T271 VanDerWaalsContact O-N 3.16Å; T271-N275 PolarHBondContact O-N 3.03Å; T271-N275 PolarHBondContact O-ND2 2.83Å
272F48.7Very low52.1Low151 Ų151124.7 Ų124.766%0.66260%0.604SS**Hα-helixtrans-68.3-36.9173.9-75.5-64.2000112.8L268 Q269 E270 N275 E276L268-F272 WeakPolarHBondContact O-CD2 3.47Å; L268-F272 PolarHBondContact O-N 3.19Å; Q269-F272 PolarHBondContact O-N 2.81Å; E270-F272 VanDerWaalsContact C-N 3.34Å; E270-F272 PolarHBondContact O-N 2.78Å; F272-N275 PolarHBondContact O-N 3.44Å; F272-E276 PolarHBondContact O-N 3.21Å
273R54Low51.4Low161 Ų161132.5 Ų132.561%0.60863%0.634SS**Hα-helixtrans-61.9-43.5174.3-74.5-72.7-168.8-178.23112.9Q269 E270 N275 E276 I277Q269-R273 VanDerWaalsContact O-CG 3.32Å; Q269-R273 WeakPolarHBondContact O-CG 3.41Å; Q269-R273 PolarHBondContact O-N 3.35Å; E270-R273 WeakPolarHBondContact O-CB 3.09Å; E270-R273 PolarHBondContact O-N 3Å; R273-N275 VanDerWaalsContact C-N 3.33Å; R273-N275 PolarHBondContact O-N 3.46Å; R273-E276 IonicContact NH1-OE2 3.38Å; R273-E276 WeakPolarHBondContact O-CB 3.3Å; R273-E276 PolarHBondContact O-N 3.16Å; R273-I277 PolarHBondContact O-N 3Å
274L49.3Very low50.8Low104 Ų104132.6 Ų132.655%0.54564%0.642SS.*Hα-helixtrans-61.7-41177.8-82.3158.6000112.1E270 E276 I277 D278E270-L274 PolarHBondContact O-N 3.06Å; L274-E276 PolarHBondContact O-N 3.5Å; L274-I277 PolarHBondContact O-N 3.22Å; L274-D278 PolarHBondContact O-N 3.45Å
275N50.8Low49.6Very low87 Ų87134.9 Ų134.947%0.46565%0.652SS.*Hα-helixtrans-68.9-11.1177.4-81.3-85.6000114.9T271 F272 R273T271-N275 PolarHBondContact O-N 3.03Å; T271-N275 PolarHBondContact O-ND2 2.83Å; F272-N275 PolarHBondContact O-N 3.44Å; R273-N275 VanDerWaalsContact C-N 3.33Å; R273-N275 PolarHBondContact O-N 3.46Å
276E48.2Very low48.7Very low124 Ų124136.1 Ų136.158%0.57966%0.658SS**Hα-helixtrans-85-43.6173.7-168.6170.5-145.600110.5F272 R273 L274 K279F272-E276 PolarHBondContact O-N 3.21Å; R273-E276 IonicContact NH1-OE2 3.38Å; R273-E276 WeakPolarHBondContact O-CB 3.3Å; R273-E276 PolarHBondContact O-N 3.16Å; L274-E276 PolarHBondContact O-N 3.5Å; E276-K279 PolarHBondContact O-N 3.03Å
277I50.3Low47.5Very low115 Ų115135.8 Ų135.859%0.5967%0.667SS**Hα-helixtrans-68.9-41.1-175.7-60164.2000112R273 L274 K279 E280R273-I277 PolarHBondContact O-N 3Å; L274-I277 PolarHBondContact O-N 3.22Å; I277-K279 PolarHBondContact O-N 3.42Å; I277-E280 PolarHBondContact O-N 3.42Å
278D46.6Very low46.7Very low131 Ų131137.6 Ų137.670%0.70167%0.673SS**THydrogen-bonded Turntrans-64-5.8178.5-86.7-18.8000114.2L274L274-D278 PolarHBondContact O-N 3.45Å
279K54.4Low45.7Very low168 Ų168136.1 Ų136.173%0.7368%0.684SS**THydrogen-bonded Turntrans-109.5-7.4-178.9-65.7-178.6-176.6172.10114.5E276 I277 S281E276-K279 PolarHBondContact O-N 3.03Å; I277-K279 PolarHBondContact O-N 3.42Å; K279-S281 VanDerWaalsContact C-N 3.34Å
280E41.2Very low44.9Very low182 Ų182136.1 Ų136.185%0.8569%0.694SS**SBendtrans-85.6-6.5176.6-145.1-172.7146.500113.2I277 Q282I277-E280 PolarHBondContact O-N 3.42Å; E280-Q282 PolarHBondContact O-N 2.94Å
281S49.9Very low43.8Very low95 Ų95138 Ų13866%0.66471%0.707SS**  trans-98.731.2-172.156.80000115.5K279K279-S281 VanDerWaalsContact C-N 3.34Å
282Q48.5Very low43.5Very low189 Ų189140.2 Ų140.288%0.88372%0.723SS**  trans-122.5101164.3-71.8-162-3.200112.3E280E280-Q282 PolarHBondContact O-N 2.94Å
283K40.2Very low42.7Very low196 Ų196139.3 Ų139.385%0.85273%0.73SS**  trans-104.8129175.3-157.4173-169.41740109.5
284P40.6Very low41.7Very low121 Ų121139.7 Ų139.779%0.78674%0.738SS**  trans-68.1141.3-177.927.7-34.6000111.5
285F31.3Very low41Very low196 Ų196141.6 Ų141.686%0.8675%0.754SS**  trans-82.2127.5179.5-129.5-88.1000111.3V287F285-V287 PolarHBondContact O-N 2.83Å
286E35.6Very low40.3Very low150 Ų150147.8 Ų147.870%0.70178%0.777SS**  trans-79.596.2-178.6-171.8-172158.700110.9K288E286-K288 WeakPolarHBondContact OE1-CE 3.18Å; E286-K288 IonicContact OE1-NZ 2.6Å; E286-K288 PolarHBondContact OE1-NZ 2.91Å
287V33.2Very low39.5Very low129 Ų129148.2 Ų148.278%0.78279%0.794SS**  trans-97.2112.3173.9178.30000110.1F285F285-V287 PolarHBondContact O-N 2.83Å
288K38Very low38.6Very low160 Ų160146.5 Ų146.570%0.69681%0.805SS**  trans-81.6124.2175.9-61.8-166.3178.2-171.20110.9E286E286-K288 WeakPolarHBondContact OE1-CE 3.18Å; E286-K288 IonicContact OE1-NZ 2.6Å; E286-K288 PolarHBondContact OE1-NZ 2.91Å
289G32.3Very low37.9Very low77 Ų77146.2 Ų146.279%0.79481%0.813SS**  trans-80.5144.516900000112.3
290P35.5Very low36.8Very low122 Ų122144.3 Ų144.379%0.79282%0.821SS**  trans-123.8135.7147.834.4-24000111.8
291L37.1Very low36.5Very low168 Ų168140 Ų14088%0.8882%0.816SS**  trans-112.1163.5165.8-66.4171.6000108.6
292P47.5Very low36.2Very low118 Ų118140.9 Ų140.977%0.76682%0.82SS**  -126.5154.8-51.535.8-23.1000110.7
293V31.2Very low36Very low133 Ų133137.9 Ų137.981%0.80682%0.816SS**  trans-111.5139.9177.8-179.70000111.2
294H35.1Very low35.5Very low168 Ų168138.7 Ų138.778%0.77882%0.82SS**  trans-72.7142.1-169.743.9-93.9000114.2
295T32.9Very low34.9Very low144 Ų144136.9 Ų136.988%0.88382%0.823SS**  trans-138.2114.4154.446.80000109.9
296K36Very low34.7Very low218 Ų218133 Ų13395%0.94882%0.821SS**  trans-103.1125.2165.2-85-173.7174.9-178.50108.6
297S31.5Very low35.5Very low133 Ų133132 Ų13293%0.9383%0.827SS**  trans-155.2142.4153.4-164.80000109
298G31.3Very low35.2Very low79 Ų79130.2 Ų130.281%0.81483%0.826SS**  trans13694.7-170.100000111.1
299S31.7Very low35.7Very low124 Ų124128.1 Ų128.187%0.86783%0.828SS**  trans-117.8132.9-171.455.70000112.8
300S33.2Very low35.5Very low129 Ų129130 Ų13090%0.90282%0.824SS**  trans-142.8169.2153.963.80000109.3
301A33.5Very low35.3Very low90 Ų90130 Ų13074%0.74482%0.822SS**  trans-138.5-169.5-156.600000111.2
302P44.3Very low34.8Very low115 Ų115129.8 Ų129.875%0.74782%0.821SS**  -117.4-163.9-50.534.4-17.2000110.2
303P43.8Very low33.9Very low126 Ų126128 Ų12882%0.81882%0.816SS**  -144176.285.436.7-18.4000115.9
304K30.4Very low33.7Very low212 Ų212131 Ų13192%0.92282%0.821SS**  trans-63.5156.9-177.6-56.2165.3177.3175.50113.9
305G27.5Very low33.4Very low83 Ų83131.6 Ų131.686%0.85683%0.825SS**  trans169.267.2163.300000117.1
306S27.3Very low33.4Very low116 Ų116129.2 Ų129.281%0.81182%0.819SS**  trans-106153.9162.966.80000109.3
307P51.2Low33Very low129 Ų129125.8 Ų125.884%0.83882%0.817SS**  -133.9-177.965.729.9-8.8000115.7
308A27.8Very low33.2Very low91 Ų91124.3 Ų124.375%0.75281%0.813SS**  trans-103.3-156.8176.300000110
309P49.1Very low33.1Very low115 Ų115124.2 Ų124.275%0.74781%0.812SS**  cis-139-148.5-6.941.9-20.3000113.7
310T28.1Very low33Very low116 Ų116122 Ų12271%0.71281%0.808SS**  trans87.9122.2166.4-29.30000114.1
311V29.9Very low32.8Very low123 Ų123125.1 Ų125.175%0.74581%0.809SS**  cis92.3139.434.3-176.50000113.4
312L27.9Very low33.3Very low164 Ų164128.7 Ų128.786%0.85981%0.814SS**  trans76.9157.3-174.3-53.7-176.8000115.8
313A27.6Very low33.5Very low80 Ų80129 Ų12966%0.66182%0.817SS**  cis-170.6179-28.900000109.3
314E27.3Very low32.7Very low195 Ų195126.8 Ų126.891%0.91181%0.808SS**  trans63161.7-179.7-77.4173.693.500114.7
315E28.7Very low32.9Very low182 Ų182122.9 Ų122.985%0.8580%0.802SS**  cis-142.5140.816.6-175.6-161142.700111.2
316A33.1Very low33.8Very low93 Ų93124.3 Ų124.377%0.76980%0.797SS**  trans175.1127.7147.500000110.7
317T28.5Very low34.5Very low146 Ų146124.9 Ų124.990%0.89680%0.798SS**  trans-136.7160176.4-72.20000111.1
318A34Very low33.4Very low102 Ų102122.6 Ų122.684%0.84380%0.798SS**  trans79.1142.8-177.400000115.6
319G29.4Very low33.6Very low77 Ų77123.1 Ų123.179%0.79480%0.802SS**  cis-169.7124.8-700000109.1
320G29.6Very low32.8Very low77 Ų77122 Ų12279%0.79480%0.802SS**  trans-90.1164-156.200000117.2
321Q29Very low32.8Very low195 Ų195125.9 Ų125.991%0.91181%0.813SS**  trans-154145.9150-117.4172.8100.400111.3
322L43.9Very low32.8Very low166 Ų166123.3 Ų123.387%0.86981%0.81SS**  trans-129.8162.7170.6-78.4178.6000106.2
323P49.5Very low32.8Very low122 Ų122124.3 Ų124.379%0.79281%0.811SS**  cis-137.5-161.832.745.2-26.2000112.8
324A27.6Very low33.2Very low78 Ų78127.2 Ų127.265%0.64581%0.814SS**  cis-144.8134-2.300000107.7
325T33.4Very low33.3Very low130 Ų130126.5 Ų126.580%0.79881%0.811SS**  45.7147.788.825.20000117.9
326P46.5Very low33.6Very low113 Ų113127 Ų12773%0.73481%0.81SS**  cis-131.4168.3-15.338.3-21.6000115.1
327P42.2Very low33.9Very low128 Ų128127.7 Ų127.783%0.83181%0.807SS**  trans-88.8153.316535.9-32.9000112.7
328G27.4Very low33.7Very low82 Ų82125.9 Ų125.985%0.84580%0.796SS**  trans-99.1148170.300000112.7
329A32.8Very low33.4Very low101 Ų101131.4 Ų131.484%0.83579%0.794SS**  trans-146.3177.9179.100000110.7
330A32.8Very low33.5Very low91 Ų91136.4 Ų136.475%0.75280%0.797SS**  trans66.8153.7-171.700000113.4
331E28.3Very low34Very low199 Ų199137.6 Ų137.693%0.9379%0.791SS**  cis-155.4161-6.2-119.9161.7169.700106
332G29.1Very low33.9Very low68 Ų68136.6 Ų136.670%0.70179%0.786SS**  cis148.3123.3-0.300000110.2
333H28.6Very low33Very low186 Ų186133.6 Ų133.686%0.86178%0.778SS**  trans-156.7157.8155.1-156.3-94.5000111.2
334L35.9Very low32.1Very low141 Ų141137.6 Ų137.674%0.73878%0.783SS**  trans-106.6139.1-173.6-177.767.5000110.7
335E29.6Very low32.1Very low179 Ų179139 Ų13984%0.83679%0.794SS**  trans-177.1153.6131-104173.9-171.300114.1
336K34.7Very low31.8Very low192 Ų192137.2 Ų137.284%0.83579%0.793SS**  trans-152.1172.8169.3-58.4-174.2178.5177.60105.2
337P38.4Very low31.6Very low109 Ų109137.4 Ų137.471%0.70879%0.794SS**  cis-145.6-162.711.829.9-2.4000115.5
338V24.2Very low31.3Very low108 Ų108136.9 Ų136.966%0.65579%0.791SS**  trans70.2113.8155.4-136.30000119.9
339R27.5Very low31.7Very low217 Ų217141 Ų14182%0.81979%0.793SS**  172.3121.2101.9-91.7-180-178.488.4-2.3114
340E31.7Very low31.9Very low183 Ų183141.5 Ų141.586%0.85579%0.787SS**  -79157.2128.5-62.2-170.5121.600107.7
341P40.6Very low31.7Very low101 Ų101148.4 Ų148.466%0.65679%0.794SS**  -151135.29135.8-16.3000117.4
342Q27.3Very low32Very low175 Ų175148.2 Ų148.282%0.81879%0.79SS**  68150.4129.7-63-170.315.100124.8
343C24.5Very low32Very low103 Ų103153.6 Ų153.670%0.69680%0.797SS**  trans90.398.4141.7-83.30000122.4
344K31.2Very low32.2Very low206 Ų206150.6 Ų150.690%0.89679%0.792SS**  30.3125.6128.5-61.3-174.3177.9-174.40119.5
345A27.4Very low32.2Very low106 Ų106149.9 Ų149.988%0.87680%0.798SS**  176.2162.110200000112.8
346A27.5Very low32Very low94 Ų94144.8 Ų144.878%0.77779%0.794SS**  trans-161.2163.7164.300000108.8
347P41.6Very low32.3Very low117 Ų117141.3 Ų141.376%0.7679%0.789SS**  cis-111.5-157.9-16.534.5-15.4000110.2
348P36.7Very low32Very low117 Ų117145.1 Ų145.176%0.7680%0.797SS**  -145.3165.684.139.4-23.2000115.7
349L36.1Very low32Very low169 Ų169143.4 Ų143.489%0.88580%0.802SS**  trans-79.3148.8160.3-68.1169.2000110.1
350P36.9Very low32.4Very low111 Ų111141.7 Ų141.772%0.72181%0.807SS**  trans-144.8153.413136-21.5000116.4
351R27.3Very low32.3Very low235 Ų235141.7 Ų141.789%0.88781%0.807SS**  trans62.3117.4148.8-70.3-178.5177.3-147.5-3.2121
352K35.9Very low31.9Very low195 Ų195140.2 Ų140.285%0.84881%0.81SS**  trans-66.5121.1153.5173.6-175.4-178-179.30110
353E29.4Very low32.1Very low181 Ų181139.9 Ų139.985%0.84681%0.808SS**  trans-111.2156.7167.1-73.9-167.7140.400111.2
354T32.1Very low32.7Very low124 Ų124142.7 Ų142.776%0.76182%0.816SS**  trans-131.7112.6-172.950.80000111.5
355S36.6Very low32.8Very low125 Ų125142.8 Ų142.887%0.87482%0.816SS**  trans-89.3142.4157.853.10000110.1
356G25.4Very low33Very low72 Ų72142.5 Ų142.574%0.74281%0.813SS**  cis135.982.5-600000113.1
357T39.3Very low33.1Very low120 Ų120142 Ų14274%0.73682%0.818SS**  trans-150.3119.6171.5-59.10000110.2
358Q32Very low32.6Very low188 Ų188146 Ų14688%0.87983%0.826SS**  trans52.1135.3159.6-60.4166.715.800118.8
359G26Very low32.6Very low73 Ų73144.7 Ų144.775%0.75383%0.825SS**  cis115.287.9-0.600000113.2
360I34.1Very low32.5Very low180 Ų180143.2 Ų143.292%0.92382%0.823SS**  trans-144.8149.8156.3-100.3164.4000107.7
361E30.4Very low32.5Very low184 Ų184143.6 Ų143.686%0.8682%0.823SS**  trans-98.3148.1-165.1-173.2174.5175.100112.2
362G32.3Very low32.6Very low70 Ų70140.9 Ų140.972%0.72282%0.821SS**  trans-173.954.3-168.600000118.5
363H32.3Very low32.5Very low168 Ų168138.3 Ų138.378%0.77882%0.816SS**  trans41.2105.2156.6-77.8-90.8000121.6
364L36.4Very low32.5Very low162 Ų162138.2 Ų138.285%0.84882%0.816SS**  12.4131.4126.1-53.6173.2000118.8
365K33.7Very low32.7Very low208 Ų208139.3 Ų139.390%0.90482%0.816SS**  -167.5157.788.9-156.4159.5-177.1176.30112.3
366A31.5Very low33.7Very low99 Ų99138.9 Ų138.982%0.81881%0.809SS**  trans-109.1167178.600000112.7
367G29.7Very low35.1Very low84 Ų84140.5 Ų140.587%0.86681%0.807SS**  trans-159.6136.416900000110.2
368E31.1Very low34.6Very low201 Ų201140.3 Ų140.394%0.93981%0.811SS**  trans-124.3170.5-169.9-158.9174.9155.700111.8
369A36.4Very low34.6Very low89 Ų89138.4 Ų138.474%0.73681%0.806SS**  trans-72.7156-160.300000118
370T33.3Very low34.9Very low138 Ų138142.5 Ų142.585%0.84781%0.81SS**  trans173.3165.1154.421.20000108.5
371V37.5Very low34.7Very low119 Ų119141.8 Ų141.872%0.72180%0.803SS**  cis-163.9170.2-47121.90000108.5
372E30.1Very low34.5Very low179 Ų179138.4 Ų138.484%0.83680%0.795SS**  trans68.3126.4-177-68.8170.3119.600114.7
373D32.7Very low34.3Very low140 Ų140139.2 Ų139.275%0.74980%0.795SS**  cis89.3139.731-161.827.8000115.1
374Q28.6Very low34.4Very low179 Ų179136.7 Ų136.784%0.83679%0.794SS**  trans151.7114.4166.5-83.2-9158.400111.7
375I36.3Very low34.1Very low148 Ų148135.5 Ų135.576%0.75979%0.793SS**  trans-153.1177.6171.35.5174.5000106.4
376P58.8Low33.9Very low115 Ų115132.8 Ų132.875%0.74778%0.783SS**  cis-128.5-134.4-0.232.2-5.3000108.9
377P54.5Low34Very low106 Ų106136.6 Ų136.669%0.68878%0.784SS**  cis-129.9176.9-17.646-29.2000113.9
378S29Very low34.1Very low117 Ų117140.2 Ų140.282%0.81878%0.778SS**  -154.2155.879.8560000114.1
379N31.7Very low33.9Very low147 Ų147140.1 Ų140.179%0.78678%0.777SS**  trans-107.1164.6-168.3-57.1-62.5000115.1
380L32.5Very low33.4Very low159 Ų159138.5 Ų138.583%0.83277%0.769SS**  trans161.6108.1132.4-84.8159.3000107.3
381E29.8Very low33.2Very low165 Ų165142 Ų14277%0.77177%0.773SS**  58138.772.1-115.6-157.3100.700113.8
382T26.1Very low33Very low113 Ų113144.5 Ų144.569%0.69378%0.776SS**  cis-149166.818.3-50.40000110.7
383A29.2Very low33.1Very low87 Ų87144 Ų14472%0.71977%0.774SS**  trans-127.8152.4171.900000112.2
384P34Very low33.1Very low116 Ų116146.1 Ų146.175%0.75378%0.776SS**  trans-147.9142143.333.9-15.7000117.8
385V29.1Very low33Very low137 Ų137143.8 Ų143.883%0.8378%0.775SS**  trans79.9153.1139173.80000120.4
386E30.9Very low32.5Very low150 Ų150141.2 Ų141.270%0.70178%0.775SS**  trans-81.2168.2-169.1-46.3168.9115.700114.3
387H32.6Very low30.9Very low179 Ų179140.3 Ų140.383%0.82978%0.778SS**  -163.6159.8113.6-104.8-65.3000112.8
388H32.3Very low29.6Very low161 Ų161139.9 Ų139.975%0.74578%0.777SS**  trans-85.1175.9179.5-76.3-86.9000113.6
389H26.1Very low29.5Very low199 Ų199138.7 Ų138.792%0.92176%0.757SS**  trans81.8143155.4-131.279.2000115.2
390G26.7Very low29.4Very low55 Ų55136.9 Ų136.957%0.56775%0.747SS**  cis-170.4174.1-400000111.1
391F29.4Very low29.2Very low211 Ų211135 Ų13593%0.92573%0.734SS**  trans-64.3138.2175.6-68.6-93.1000110.9
392H32.6Very low29.1Very low171 Ų171131.1 Ų131.179%0.79273%0.73SS**  trans-136.395.8159-120.1-54.6000112.5
393E31.5Very low29.5Very low169 Ų169135.2 Ų135.279%0.7974%0.742SS**  trans-53133.8149.6179.1-172.8167.700109.2
394K33.7Very low29.3Very low184 Ų184134.4 Ų134.480%0.874%0.742SS**  trans-155.184.7166.3-141.2168.5-170.2173.80114.6
395T26.6Very low29.1Very low131 Ų131138.5 Ų138.580%0.80475%0.751SS**  trans-66.2126.7160.1-55.20000110.4
396A24.7Very low29.1Very low93 Ų93137.2 Ų137.277%0.76976%0.755SS**  trans-163.3161.7161.100000110.4
397A25.8Very low29.2Very low96 Ų96137.5 Ų137.579%0.79376%0.758SS**  trans-140.9179.8-172.600000113.2
398S27.8Very low29.3Very low98 Ų98137 Ų13769%0.68576%0.756SS**  trans75.1157.2172.4-76.60000118.9E60E60-S398 PolarHBondContact OE1-OG 3.4Å
399K26.6Very low29.1Very low92 Ų92136.5 Ų136.540%0.476%0.759SS.*  cis171.6130.3-38.3158.6171.1149.8-147.60111.9E60E60-K399 VanDerWaalsContact CD-CE 3.49Å; E60-K399 WeakPolarHBondContact OE1-CD 3.43Å; E60-K399 WeakPolarHBondContact OE1-CE 3.34Å; E60-K399 IonicContact OE1-NZ 3.07Å; E60-K399 PolarHBondContact OE1-NZ 3.37Å; E60-K399 WeakPolarHBondContact OE2-CD 3.46Å; E60-K399 WeakPolarHBondContact OE2-CE 3.49Å; E60-K399 IonicContact OE2-NZ 3.64Å; E60-K399 PolarHBondContact OE2-NZ 3.37Å
400L29.6Very low29.4Very low109 Ų109130.8 Ų130.857%0.57175%0.746SS**  trans54170.5157.5-72.3164000118.5V58V58-L400 HydrophobicContact CB-CD1 4.16Å; V58-L400 HydrophobicContact CG1-CD1 3.73Å; V58-L400 HydrophobicContact CG2-CD1 3.45Å; V58-L400 VanDerWaalsContact CG2-CD1 3.45Å
401E28.5Very low29.6Very low118 Ų118133.3 Ų133.355%0.55176%0.762SS**  cis-146.1-166.4-1.9-154.5143.5-137.100111V58V58-E401 WeakPolarHBondContact CG1-OE1 3.3Å
402A27.6Very low30.1Very low84 Ų84127.8 Ų127.869%0.69476%0.755SS**  trans75.2118.4175.500000115.8
403E33.9Very low30.6Very low200 Ų200125.9 Ų125.994%0.93576%0.758SS**  71.3131.461.3-69.3-164.3159.800113.9
404G25.5Very low30.6Very low70 Ų70121.7 Ų121.772%0.72276%0.76SS**  cis-177.5-178.4-1.100000114.2
405E28.9Very low31Very low201 Ų201120.7 Ų120.794%0.93976%0.763SS**  trans35.7120.7159.4-54.8-169.7158.300122.2
406A30.8Very low31.4Very low111 Ų111120.9 Ų120.992%0.91776%0.759SS**  trans-161.2169.5143.600000111.1
407M31.8Very low32.6Very low155 Ų155127 Ų12776%0.76476%0.763SS**  trans-123.8167.7-167.3-144.91707400112.2
408E34.4Very low32.9Very low168 Ų168125.8 Ų125.879%0.78576%0.759SS**  trans66.8160.7163.5-66.6171.6172.100117.2
409D27.7Very low33.7Very low151 Ų151124.7 Ų124.781%0.80776%0.763SS**  cis-162.4167.6-32.9-179.637.2000108.7
410A34.4Very low34.3Very low80 Ų80126.1 Ų126.166%0.66178%0.78SS**  trans78.2151158.300000121.4
411A30.5Very low35.3Very low108 Ų108129.5 Ų129.589%0.89379%0.793SS**  trans71.9131.8166.100000119.7
412A39.5Very low36.2Very low95 Ų95131.4 Ų131.479%0.78580%0.801SS**  trans-129.6-176.9174.100000108.5
413P42.6Very low37.4Very low130 Ų130135.3 Ų135.384%0.84481%0.81SS**  cis-120156.6-1537.6-24.3000113
414G32.4Very low38.6Very low81 Ų81129.7 Ų129.784%0.83580%0.798SS**  trans-127.294.9171.900000111.2
415D40.9Very low40.1Very low164 Ų164131.6 Ų131.688%0.87780%0.797SS**  trans-91.695.6176.3-175.218.1000110
416D36.5Very low41.6Very low134 Ų134130.3 Ų130.372%0.71779%0.793SS**  trans-142.9108.1161.3-166.726.6000112.3G418D416-G418 PolarHBondContact O-N 3.45Å
417R49.6Very low43.2Very low223 Ų223130.6 Ų130.684%0.84279%0.786SS**  trans36.361.4149-67.6173.6160-98.6-6.2116.5G419R417-G419 VanDerWaalsContact C-N 3.34Å; R417-G419 PolarHBondContact O-N 3.35Å
418G32.4Very low45.2Very low70 Ų70127.6 Ų127.672%0.72279%0.786SS**  trans-55.298.6155.200000109.9D416 T420D416-G418 PolarHBondContact O-N 3.45Å; G418-T420 PolarHBondContact O-N 3.43Å
419G43.1Very low47.3Very low74 Ų74128.2 Ų128.276%0.76379%0.789SS**  trans-73.357.4-175.300000113.3R417 Q421R417-G419 VanDerWaalsContact C-N 3.34Å; R417-G419 PolarHBondContact O-N 3.35Å; G419-Q421 PolarHBondContact O-N 3.07Å
420T40.4Very low50.1Low123 Ų123126.5 Ų126.576%0.75579%0.786SS**  trans-6587.8170.8-55.50000108.6G418 E422G418-T420 PolarHBondContact O-N 3.43Å; T420-E422 PolarHBondContact O-N 2.72Å
421Q49.9Very low52.8Low180 Ų180131.1 Ų131.184%0.84179%0.792SS**  trans-64.888.1150.7-69.3-168.518.400106.5G419 L423G419-Q421 PolarHBondContact O-N 3.07Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.29Å
422E46.4Very low55.8Low157 Ų157128.5 Ų128.573%0.73476%0.762SS**  trans-51.6107.2157.8-175.6-179.7150.500105.9T420 A424T420-E422 PolarHBondContact O-N 2.72Å; E422-A424 PolarHBondContact O-N 2.92Å
423L54.4Low58.4Low167 Ų167129.9 Ų129.987%0.87476%0.757SS**  trans-64.190.7175.1-95.9143.5000106.6Q421Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.29Å
424A57.9Low60.9Low82 Ų82129.5 Ų129.568%0.67875%0.752SS**  trans-47.2124.3-175.600000108.2E422 M426E422-A424 PolarHBondContact O-N 2.92Å; A424-M426 PolarHBondContact O-N 2.84Å
425P58.1Low64Low110 Ų110129.4 Ų129.471%0.71474%0.735SS**  trans-57.3115.8-165.920.6-32.7000109.1P427P425-P427 VanDerWaalsContact O-N 3.15Å
426M59.9Low66.7Low173 Ų173128.5 Ų128.585%0.85272%0.72SS**PPolyproline II helixtrans-53.1124.2-178.6-143.9-177.186.500107.3A424 A428A424-M426 PolarHBondContact O-N 2.84Å; M426-A428 PolarHBondContact O-N 3.42Å
427P64.6Low69.5Low117 Ų117128.2 Ų128.276%0.7671%0.713SS**PPolyproline II helixtrans-58.3117.9-169.721.6-33.1000108.8P425 E429P425-P427 VanDerWaalsContact O-N 3.15Å; P427-E429 PolarHBondContact O-N 3.04Å
428A72.9Confident71.8Confident93 Ų93121.3 Ų121.377%0.76969%0.693SS**PPolyproline II helixtrans-56.7124.3-176.600000108.9M426M426-A428 PolarHBondContact O-N 3.42Å
429E79.8Confident74.9Confident181 Ų181122.1 Ų122.185%0.84668%0.68SS**PPolyproline II helixtrans-54.6125.7-179.7-171.6179.5169.400108.8P427 F431P427-E429 PolarHBondContact O-N 3.04Å; E429-F431 PolarHBondContact O-N 3.23Å
430P86.4Confident77.5Confident115 Ų115123.8 Ų123.875%0.74767%0.668SS**  trans-56.2109.6-173.5-29.336.3000111.9D432P430-D432 PolarHBondContact O-N 3.47Å
431F90.4Very high80.2Confident177 Ų177121.5 Ų121.578%0.77665%0.649SS**  trans-67.1100.5-177.4178.8-98.5000110.6E429 N433E429-F431 PolarHBondContact O-N 3.23Å; F431-N433 HydrophobicContact CE1-CB 3.81Å; F431-N433 HydrophobicContact CZ-CB 3.89Å
432D92.9Very high82.5Confident52 Ų52118.8 Ų118.828%0.27864%0.636SS.*  trans-111.5101.8177.7171.428000110.8P430 T434 T435 K437P430-D432 PolarHBondContact O-N 3.47Å; D432-T434 WeakPolarHBondContact OD1-CA 3.47Å; D432-T434 WeakPolarHBondContact OD1-CB 3.42Å; D432-T434 PolarHBondContact OD1-N 3.16Å; D432-T434 PolarHBondContact OD1-OG1 3.48Å; D432-T435 PolarHBondContact OD1-N 3.4Å; D432-T435 PolarHBondContact OD1-OG1 3.04Å; D432-T435 WeakPolarHBondContact OD2-CB 3.11Å; D432-T435 PolarHBondContact OD2-OG1 3.08Å; D432-K437 WeakPolarHBondContact O-CE 3.24Å; D432-K437 IonicContact OD2-NZ 3.56Å; D432-K437 PolarHBondContact OD2-NZ 3.15Å
433N94.3Very high84.9Confident125 Ų125117.8 Ų117.867%0.66864%0.635SS**  trans-97.56.8168.766.9-13.6000113F431F431-N433 HydrophobicContact CE1-CB 3.81Å; F431-N433 HydrophobicContact CZ-CB 3.89Å
434T96.4Very high87Confident122 Ų122116.8 Ų116.875%0.74862%0.621SS**SBendtrans-94.7-33.6-176.869.10000112.3D432D432-T434 WeakPolarHBondContact OD1-CA 3.47Å; D432-T434 WeakPolarHBondContact OD1-CB 3.42Å; D432-T434 PolarHBondContact OD1-N 3.16Å; D432-T434 PolarHBondContact OD1-OG1 3.48Å
435T97.2Very high88.9Confident78 Ų78116.7 Ų116.748%0.47961%0.612SS.*SBendtrans-89.5126.4176.8-44.40000111.7D432 K437D432-T435 PolarHBondContact OD1-N 3.4Å; D432-T435 PolarHBondContact OD1-OG1 3.04Å; D432-T435 WeakPolarHBondContact OD2-CB 3.11Å; D432-T435 PolarHBondContact OD2-OG1 3.08Å; T435-K437 WeakPolarHBondContact O-CD 3.24Å; T435-K437 WeakPolarHBondContact O-CE 3.33Å; T435-K437 PolarHBondContact O-N 3.13Å
436Y96.4Very high90.9Very high145 Ų145117.6 Ų117.657%0.56962%0.616SS**  trans-68.2121.4169.8178.7-107.4000111N438 L439Y436-N438 HydrophobicContact CE1-CB 4.09Å; Y436-N438 WeakPolarHBondContact CE1-O 3.25Å; Y436-N438 HydrophobicContact CE2-CB 4.41Å; Y436-L439 HydrophobicContact CD1-CD2 3.9Å; Y436-L439 HydrophobicContact CE1-CD2 4.41Å
437K96.9Very high92.7Very high128 Ų128116.4 Ų116.456%0.55760%0.603SS**  trans-90.6-17.5-167.8-52.8-62-174.9172.40115.4D432 T435 L439 Q440D432-K437 WeakPolarHBondContact O-CE 3.24Å; D432-K437 IonicContact OD2-NZ 3.56Å; D432-K437 PolarHBondContact OD2-NZ 3.15Å; T435-K437 WeakPolarHBondContact O-CD 3.24Å; T435-K437 WeakPolarHBondContact O-CE 3.33Å; T435-K437 PolarHBondContact O-N 3.13Å; K437-L439 PolarHBondContact O-N 3.06Å; K437-Q440 PolarHBondContact O-NE2 3.32Å
438N96.9Very high94.3Very high78 Ų78112.7 Ų112.742%0.41758%0.578SS.*  trans-93.566.8-175.4-174.2-16.8000111.7Y436 Q440 H441Y436-N438 HydrophobicContact CE1-CB 4.09Å; Y436-N438 WeakPolarHBondContact CE1-O 3.25Å; Y436-N438 HydrophobicContact CE2-CB 4.41Å; N438-Q440 VanDerWaalsContact CA-OE1 3.23Å; N438-Q440 PolarHBondContact OD1-OE1 3.03Å; N438-H441 PolarHBondContact O-CE1 3.26Å; N438-H441 VanDerWaalsContact O-CE1 3.25Å; N438-H441 PolarHBondContact O-ND1 3.48Å
439L97.9Very high95.5Very high88 Ų88115.8 Ų115.846%0.46158%0.575SS.*  trans-89.2-7.9178.5-62.7177.7000113.4Y436 K437 H441 H442Y436-L439 HydrophobicContact CD1-CD2 3.9Å; Y436-L439 HydrophobicContact CE1-CD2 4.41Å; K437-L439 PolarHBondContact O-N 3.06Å; L439-H441 PolarHBondContact O-N 3.46Å; L439-H441 VanDerWaalsContact O-N 3.09Å; L439-H442 WeakPolarHBondContact O-CB 3.48Å; L439-H442 PolarHBondContact O-CD2 3.06Å; L439-H442 VanDerWaalsContact O-CD2 3.23Å; L439-H442 PolarHBondContact O-N 3.06Å
440Q97.6Very high96.4Very high108 Ų108111.8 Ų111.851%0.50556%0.559SS.*G310 helixtrans-61.7-24.5-173.9-5976.417.200112.8K437 N438 H442 D443 Y444K437-Q440 PolarHBondContact O-NE2 3.32Å; N438-Q440 VanDerWaalsContact CA-OE1 3.23Å; N438-Q440 PolarHBondContact OD1-OE1 3.03Å; Q440-H442 PolarHBondContact O-N 3.23Å; Q440-D443 PolarHBondContact O-N 3.31Å; Q440-Y444 WeakPolarHBondContact O-CD1 3.42Å; Q440-Y444 VanDerWaalsContact O-CE1 3.24Å; Q440-Y444 WeakPolarHBondContact O-CE1 3.45Å
441H97.3Very high97Very high76 Ų76110.1 Ų110.135%0.35254%0.543SS..G310 helixtrans-72.1-10.4178.776.5-86000114.3N438 L439 D443 Y444N438-H441 PolarHBondContact O-CE1 3.26Å; N438-H441 VanDerWaalsContact O-CE1 3.25Å; N438-H441 PolarHBondContact O-ND1 3.48Å; L439-H441 PolarHBondContact O-N 3.46Å; L439-H441 VanDerWaalsContact O-N 3.09Å; H441-D443 VanDerWaalsContact C-N 3.33Å; H441-Y444 HydrophobicContact CB-CD2 3.89Å; H441-Y444 HydrophobicContact CB-CE2 3.68Å; H441-Y444 HydrophobicContact CB-CG 4.49Å
442H97.8Very high97.3Very high123 Ų123106.5 Ų106.557%0.56953%0.531SS*.G310 helixtrans-73.5-26.6173.5-63.1-44.2000112.7L439 Q440 Y444L439-H442 WeakPolarHBondContact O-CB 3.48Å; L439-H442 PolarHBondContact O-CD2 3.06Å; L439-H442 VanDerWaalsContact O-CD2 3.23Å; L439-H442 PolarHBondContact O-N 3.06Å; Q440-H442 PolarHBondContact O-N 3.23Å; H442-Y444 VanDerWaalsContact C-N 3.26Å; H442-Y444 PolarHBondContact O-N 3.25Å
443D97.6Very high97.6Very high135 Ų135107.1 Ų107.172%0.72254%0.535SS*.G310 helixtrans-85.83.6179.6-55.6-52.9000112.7Q440 H441 T445Q440-D443 PolarHBondContact O-N 3.31Å; H441-D443 VanDerWaalsContact C-N 3.33Å; D443-T445 PolarHBondContact O-N 3.09Å
444Y98.4Very high97.8Very high146 Ų146107.3 Ų107.357%0.57354%0.535SS*.  trans-76.3118-174.4-70.4-2.6000113.1Q440 H441 H442 T448Q440-Y444 WeakPolarHBondContact O-CD1 3.42Å; Q440-Y444 VanDerWaalsContact O-CE1 3.24Å; Q440-Y444 WeakPolarHBondContact O-CE1 3.45Å; H441-Y444 HydrophobicContact CB-CD2 3.89Å; H441-Y444 HydrophobicContact CB-CE2 3.68Å; H441-Y444 HydrophobicContact CB-CG 4.49Å; H442-Y444 VanDerWaalsContact C-N 3.26Å; H442-Y444 PolarHBondContact O-N 3.25Å; Y444-T448 HydrophobicContact CD1-CG2 4.43Å
445T98.2Very high97.9Very high81 Ų81106 Ų10650%0.49752%0.524SS..  trans-79.6166.2168.281.90000111.8D443 Y447 T448D443-T445 PolarHBondContact O-N 3.09Å; T445-Y447 PolarHBondContact O-N 3.45Å; T445-Y447 VanDerWaalsContact O-N 3.07Å; T445-Y447 PolarHBondContact OG1-N 2.84Å; T445-T448 PolarHBondContact O-N 3.29Å; T445-T448 PolarHBondContact O-OG1 3.37Å; T445-T448 PolarHBondContact OG1-N 3.4Å
446T98.5Very high97.9Very high129 Ų129107 Ų10779%0.79153%0.525SS*.THydrogen-bonded Turntrans-60.2-15.3175.351.20000115
447Y98.3Very high98Very high147 Ų147103.1 Ų103.158%0.57652%0.519SS*.THydrogen-bonded Turntrans-106.4-15.5-175.8-66.5-74.4000113.9T445 F449 L450 D451T445-Y447 PolarHBondContact O-N 3.45Å; T445-Y447 VanDerWaalsContact O-N 3.07Å; T445-Y447 PolarHBondContact OG1-N 2.84Å; Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 3.28Å; Y447-L450 HydrophobicContact CD1-CD1 4.36Å; Y447-L450 WeakPolarHBondContact O-CA 3.1Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 3.25Å; Y447-D451 WeakPolarHBondContact CB-OD2 3.41Å; Y447-D451 VanDerWaalsContact O-CG 3.31Å; Y447-D451 PolarHBondContact O-N 3.19Å
448T98.4Very high98Very high39 Ų39103.6 Ų103.624%0.23952%0.522CS..Hα-helixtrans-42.3-44.7-177.446.10000115.4Y444 T445 L450 D451 L452Y444-T448 HydrophobicContact CD1-CG2 4.43Å; T445-T448 PolarHBondContact O-N 3.29Å; T445-T448 PolarHBondContact O-OG1 3.37Å; T445-T448 PolarHBondContact OG1-N 3.4Å; T448-L450 PolarHBondContact O-N 3.41Å; T448-D451 PolarHBondContact N-OD2 3.24Å; T448-D451 PolarHBondContact O-N 3.24Å; T448-L452 VanDerWaalsContact O-CB 3.3Å; T448-L452 WeakPolarHBondContact O-CB 3.31Å; T448-L452 VanDerWaalsContact O-CG 3.24Å; T448-L452 WeakPolarHBondContact O-CG 3.39Å; T448-L452 PolarHBondContact O-N 3.2Å
449F98.4Very high98.1Very high159 Ų159107.3 Ų107.370%0.69753%0.534SS*.Hα-helixtrans-64.2-38.1178177.2-99000113.3Y447 N453Y447-F449 VanDerWaalsContact C-N 3.26Å; Y447-F449 PolarHBondContact O-N 3.28Å; F449-N453 WeakPolarHBondContact O-CB 3.4Å; F449-N453 PolarHBondContact O-N 3.41Å
450L98.4Very high98.1Very high97 Ų97109.9 Ų109.951%0.50854%0.538SS..Hα-helixtrans-75.3-38.9177.5-61.9178.5000111.2Y447 T448 N453 L454Y447-L450 HydrophobicContact CD1-CD1 4.36Å; Y447-L450 WeakPolarHBondContact O-CA 3.1Å; Y447-L450 WeakPolarHBondContact O-CB 3.47Å; Y447-L450 PolarHBondContact O-N 3.25Å; T448-L450 PolarHBondContact O-N 3.41Å; L450-N453 PolarHBondContact O-N 3.12Å; L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 PolarHBondContact O-N 2.6Å
451D98.3Very high98.1Very high79 Ų79112.1 Ų112.142%0.42255%0.55SS.*Hα-helixtrans-62.9-50.4176.9-55.5-36000110.4Y447 T448 N453 L454 D455Y447-D451 WeakPolarHBondContact CB-OD2 3.41Å; Y447-D451 VanDerWaalsContact O-CG 3.31Å; Y447-D451 PolarHBondContact O-N 3.19Å; T448-D451 PolarHBondContact N-OD2 3.24Å; T448-D451 PolarHBondContact O-N 3.24Å; D451-N453 VanDerWaalsContact C-N 3.32Å; D451-N453 PolarHBondContact O-N 2.94Å; D451-L454 WeakPolarHBondContact O-CB 3.37Å; D451-L454 PolarHBondContact O-N 3.38Å; D451-L454 VanDerWaalsContact O-N 3.16Å; D451-D455 PolarHBondContact O-N 3.41Å
452L98.3Very high98.2Very high101 Ų101114 Ų11453%0.52957%0.569SS.*Hα-helixtrans-62.2-36174.2-69.9170.8000112.5T448 D455 L456T448-L452 VanDerWaalsContact O-CB 3.3Å; T448-L452 WeakPolarHBondContact O-CB 3.31Å; T448-L452 VanDerWaalsContact O-CG 3.24Å; T448-L452 WeakPolarHBondContact O-CG 3.39Å; T448-L452 PolarHBondContact O-N 3.2Å; L452-D455 PolarHBondContact O-N 3.49Å; L452-L456 VanDerWaalsContact O-CB 3.31Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 WeakPolarHBondContact O-CG 3.04Å; L452-L456 PolarHBondContact O-N 3.42Å
453N98.1Very high98.2Very high65 Ų65115.6 Ų115.635%0.34858%0.577SS.*Hα-helixtrans-68-35.8175.4177.851.6000112.6F449 L450 D451 S457 R460F449-N453 WeakPolarHBondContact O-CB 3.4Å; F449-N453 PolarHBondContact O-N 3.41Å; L450-N453 PolarHBondContact O-N 3.12Å; D451-N453 VanDerWaalsContact C-N 3.32Å; D451-N453 PolarHBondContact O-N 2.94Å; N453-S457 PolarHBondContact O-N 2.8Å; N453-R460 PolarHBondContact OD1-NH2 3.47Å
454L98.4Very high98.2Very high130 Ų130115 Ų11568%0.68158%0.581SS**Hα-helixtrans-67.2-45.4172.9177.961.3000110.6L450 D451 L456 S457L450-L454 WeakPolarHBondContact O-CB 3.44Å; L450-L454 PolarHBondContact O-N 2.6Å; D451-L454 WeakPolarHBondContact O-CB 3.37Å; D451-L454 PolarHBondContact O-N 3.38Å; D451-L454 VanDerWaalsContact O-N 3.16Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 2.65Å; L454-S457 WeakPolarHBondContact O-CB 2.99Å; L454-S457 PolarHBondContact O-N 2.92Å; L454-S457 VanDerWaalsContact O-N 3.08Å
455D98.3Very high98.2Very high95 Ų95112.9 Ų112.951%0.50859%0.587SS.*Hα-helixtrans-61.7-39.2176.6-100.7-36.8000113D451 L452 S457 K458D451-D455 PolarHBondContact O-N 3.41Å; L452-D455 PolarHBondContact O-N 3.49Å; D455-S457 VanDerWaalsContact C-N 3.3Å; D455-K458 WeakPolarHBondContact O-CG 3.37Å; D455-K458 PolarHBondContact O-NZ 3Å; D455-K458 IonicContact OD1-NZ 2.99Å; D455-K458 PolarHBondContact OD1-NZ 2.68Å
456L98.3Very high98.2Very high98 Ų98113.8 Ų113.851%0.51360%0.597SS.*Hα-helixtrans-75.7-16.1175.7-69.4172.6000113.4L452 L454 K458 F459L452-L456 VanDerWaalsContact O-CB 3.31Å; L452-L456 WeakPolarHBondContact O-CB 3.41Å; L452-L456 WeakPolarHBondContact O-CG 3.04Å; L452-L456 PolarHBondContact O-N 3.42Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 2.65Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.65Å; L456-F459 PolarHBondContact O-N 2.96Å
457S98.3Very high98.1Very high63 Ų63111 Ų11144%0.44159%0.593SS.*Hα-helixtrans-55.5-44.8-175.1-167.60000112.8N453 L454 D455 F459 R460N453-S457 PolarHBondContact O-N 2.8Å; L454-S457 WeakPolarHBondContact O-CB 2.99Å; L454-S457 PolarHBondContact O-N 2.92Å; L454-S457 VanDerWaalsContact O-N 3.08Å; D455-S457 VanDerWaalsContact C-N 3.3Å; S457-F459 PolarHBondContact O-N 2.93Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 WeakPolarHBondContact O-CG 3.49Å; S457-R460 PolarHBondContact O-N 3.18Å
458K97.1Very high98.1Very high139 Ų139111.5 Ų111.560%0.60459%0.594SS**THydrogen-bonded Turntrans-66.5-12.9179.460.4-176175.6-71.80115.1D455 L456D455-K458 WeakPolarHBondContact O-CG 3.37Å; D455-K458 PolarHBondContact O-NZ 3Å; D455-K458 IonicContact OD1-NZ 2.99Å; D455-K458 PolarHBondContact OD1-NZ 2.68Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.65Å
459F98.2Very high98.1Very high156 Ų156118 Ų11868%0.68462%0.621SS**THydrogen-bonded Turntrans-1034.7178.3-56.3-72.5000113L456 S457L456-F459 PolarHBondContact O-N 2.96Å; S457-F459 PolarHBondContact O-N 2.93Å
460R97.8Very high98Very high142 Ų142112.3 Ų112.354%0.53660%0.602SS.*SBendtrans-81.4142.2178.2-62.8176.4177.1-78.91.9110.9N453 S457N453-R460 PolarHBondContact OD1-NH2 3.47Å; S457-R460 WeakPolarHBondContact O-CB 3.47Å; S457-R460 WeakPolarHBondContact O-CG 3.49Å; S457-R460 PolarHBondContact O-N 3.18Å
461M98.3Very high97.9Very high155 Ų155114.2 Ų114.276%0.76462%0.619SS**PPolyproline II helixtrans-63.5147.3168.2-67.1-60.1-70.200111Q463M461-Q463 PolarHBondContact O-N 2.96Å; M461-Q463 PolarHBondContact O-NE2 3.24Å; M461-Q463 VanDerWaalsContact O-NE2 3.11Å
462P98.4Very high97.8Very high116 Ų116121.9 Ų121.975%0.75364%0.642SS**PPolyproline II helixtrans-51.4135.7173.4-26.935.1000111.7
463Q98.1Very high97.6Very high156 Ų156123.6 Ų123.673%0.72965%0.647SS**PPolyproline II helixtrans-72.9137.3-179-62.1-59.3-81.300110.6M461M461-Q463 PolarHBondContact O-N 2.96Å; M461-Q463 PolarHBondContact O-NE2 3.24Å; M461-Q463 VanDerWaalsContact O-NE2 3.11Å
464P98.3Very high97.6Very high123 Ų123126.5 Ų126.580%0.79966%0.662SS**PPolyproline II helixtrans-67138.1177.528.4-34.4000110.6
465S98Very high97.5Very high100 Ų100126.3 Ų126.370%0.69966%0.661SS**PPolyproline II helixtrans-94.1144.3175.6-179.30000111.4G467S465-G467 PolarHBondContact OG-N 2.99Å; S465-G467 VanDerWaalsContact OG-N 3.12Å
466S97.6Very high97.5Very high101 Ų101128.1 Ų128.171%0.70667%0.67SS**  trans-80.7-2.2170.771.30000113.6R468S466-R468 VanDerWaalsContact C-N 3.26Å; S466-R468 PolarHBondContact OG-N 2.92Å; S466-R468 PolarHBondContact OG-O 2.76Å
467G97.7Very high97.5Very high69 Ų69129.8 Ų129.871%0.71168%0.679SS**SBendtrans82-1.8-167.700000114.1S465S465-G467 PolarHBondContact OG-N 2.99Å; S465-G467 VanDerWaalsContact OG-N 3.12Å
468R97.7Very high97.4Very high159 Ų159134 Ų13460%0.669%0.694SS**SBendtrans-136.5150.3172.5-55.7-171.1-176.8-142-2.4110.4S466 H473S466-R468 VanDerWaalsContact C-N 3.26Å; S466-R468 PolarHBondContact OG-N 2.92Å; S466-R468 PolarHBondContact OG-O 2.76Å; R468-H473 VanDerWaalsContact CD-OXT 3.26Å; R468-H473 WeakPolarHBondContact CD-OXT 3.46Å; R468-H473 VanDerWaalsContact NH1-C 3.33Å; R468-H473 PolarHBondContact NH1-O 2.8Å; R468-H473 PolarHBondContact NH1-OXT 3.06Å
469E97.2Very high97.4Very high175 Ų175133.7 Ų133.782%0.81870%0.7SS**SBendtrans-69-36.1175.7-174.1-169.2154.300112H473E469-H473 IonicContact OE2-CE1 2.65Å
470S97.6Very high97.4Very high40 Ų40132.1 Ų132.128%0.2870%0.701SS.*SBendtrans-150.7162.8175.585.10000111.6R472 H473S470-R472 PolarHBondContact O-N 2.88Å; S470-R472 PolarHBondContact OG-N 2.94Å; S470-H473 PolarHBondContact O-N 2.82Å; S470-H473 PolarHBondContact OG-ND1 2.84Å
471P96.3Very high97.3Very high136 Ų136131.3 Ų131.388%0.88371%0.714SS**THydrogen-bonded Turntrans-67.36.6174.9-20.734000115.8
472R96.9Very high97.3Very high240 Ų240129.3 Ų129.391%0.90671%0.71SS**THydrogen-bonded Turntrans-119.92178.9-68.3-177.4177.1149.40113.7S470S470-R472 PolarHBondContact O-N 2.88Å; S470-R472 PolarHBondContact OG-N 2.94Å
473H93.4Very high97.2Very high137 Ų137130.5 Ų130.563%0.63471%0.706SS**  trans-92.10160.3-64.4125.8000108.5R468 E469 S470R468-H473 VanDerWaalsContact CD-OXT 3.26Å; R468-H473 WeakPolarHBondContact CD-OXT 3.46Å; R468-H473 VanDerWaalsContact NH1-C 3.33Å; R468-H473 PolarHBondContact NH1-O 2.8Å; R468-H473 PolarHBondContact NH1-OXT 3.06Å; E469-H473 IonicContact OE2-CE1 2.65Å; S470-H473 PolarHBondContact O-N 2.82Å; S470-H473 PolarHBondContact OG-ND1 2.84Å

Retrieved 473 of 473 residues in 112.6 ms (Link to these results)