A0A087YBS7_POEFO Loading...

RNA binding motif protein 33

AlphaFold DB , UniProt , Accession A0A087YBS7, Species POEFO (Poecilia formosa, Amazon molly), Gene RBM33, Length 1,250 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
1M35Very low33Very low240 Ų240138.9 Ų138.9100%1.18276%0.764SS**  096.80-65.4169.8177.800104.6
2A35.3Very low33.1Very low89 Ų89142.8 Ų142.874%0.73677%0.773SS**  67.1128.755.500000110.3
3A35.1Very low33.4Very low87 Ų87142.5 Ų142.572%0.71976%0.755SS**  cis-157.9161.4900000111.1
4D31.4Very low33.6Very low142 Ų142136.7 Ų136.776%0.75973%0.725SS**  cis-165156.7-20.2-93.3-27000109.5
5A33.5Very low33.9Very low85 Ų85135.9 Ų135.970%0.70271%0.713SS**  trans52144.3153.400000120.3
6Q32.3Very low34.7Very low152 Ų152134.4 Ų134.471%0.7171%0.714SS**  cis64145.336.9-49.4-161.6-87.200112.3
7D32.4Very low34.9Very low141 Ų141131.2 Ų131.275%0.75472%0.72SS**  cis-113.1169.615.3-54.9-56.9000111.5
8F31.4Very low34.6Very low165 Ų165129 Ų12972%0.72472%0.722SS**  cis74.7144.434.1-84.5-83.2000116.5
9D31.7Very low34.9Very low133 Ų133130.1 Ų130.171%0.71172%0.721SS**  trans69.7140.5166.5-65.75.3000119.7
10F29.7Very low35Very low168 Ų168134 Ų13474%0.73772%0.724SS**  cis-158.5179.2-12.9-143.3-121.8000111.5
11D35.4Very low35Very low126 Ų126131.7 Ų131.767%0.67472%0.718SS**  trans-21.5158172.8-63.3-10.6000122.8
12E34Very low35.3Very low186 Ų186131 Ų13187%0.86970%0.702SS**  161.6174.1114.2-162.9156.5-146.100112.3
13Y37.1Very low35.5Very low138 Ų138137.9 Ų137.954%0.54171%0.709SS.*  trans-119.3-165.7-169.7-46.8155.5000112.8Q602 G603Y13-Q602 HydrophobicContact CD1-CB 3.9Å; Y13-Q602 HydrophobicContact CD2-CB 4.36Å; Y13-Q602 VanDerWaalsContact CE1-C 3.41Å; Y13-Q602 HydrophobicContact CE1-CB 4.2Å; Y13-Q602 WeakPolarHBondContact CE1-O 3.4Å; Y13-Q602 HydrophobicContact CG-CB 4.01Å; Y13-G603 VanDerWaalsContact CZ-N 3.27Å; Y13-G603 PolarHBondContact OH-N 3.08Å; Y13-G603 PolarHBondContact OH-O 3.1Å
14D35.4Very low35.8Very low62 Ų62143.7 Ų143.733%0.33271%0.712SS.*  cis-162.4-167.96.3-141.2-52.3000114.9Q601 Q602D14-Q601 HydrophobicContact CB-CG 4.22Å; D14-Q601 VanDerWaalsContact CG-CG 3.43Å; D14-Q601 VanDerWaalsContact CG-NE2 3.26Å; D14-Q601 PolarHBondContact OD1-NE2 2.64Å; D14-Q601 PolarHBondContact OD1-OE1 2.81Å; D14-Q601 WeakPolarHBondContact OD2-CB 3.32Å; D14-Q601 VanDerWaalsContact OD2-CD 3.22Å; D14-Q601 WeakPolarHBondContact OD2-CG 3.39Å; D14-Q602 VanDerWaalsContact OD1-CD 3.27Å; D14-Q602 WeakPolarHBondContact OD1-CG 3.42Å; D14-Q602 PolarHBondContact OD1-NE2 3.39Å; D14-Q602 WeakPolarHBondContact OD2-CB 3.45Å; D14-Q602 PolarHBondContact OD2-N 3.14Å
15K39.5Very low36.2Very low124 Ų124147.2 Ų147.254%0.53972%0.715SS.*  trans-72.7171.7167.6-65.3154.2-174.8167.40112.2Q601 Q602K15-Q601 PolarHBondContact NZ-O 3.31Å; K15-Q601 PolarHBondContact O-NE2 2.89Å; K15-Q602 HydrophobicContact CD-CG 4.27Å
16P46.3Very low36.1Very low113 Ų113146.4 Ų146.473%0.73472%0.716SS**  cis-131.5-171.212.542.8-25.6000114.5
17G37.1Very low35.9Very low79 Ų79142 Ų14281%0.81471%0.71SS**  cis131.889.7-9.900000115.7
18A30.9Very low35.8Very low92 Ų92143.3 Ų143.376%0.7671%0.712SS**  trans-156.4137.5172.200000109.2
19E39.1Very low36Very low150 Ų150142.8 Ų142.870%0.70172%0.717SS**  65.2142.566-67.9-142.5127.500114.1
20R37Very low36.3Very low208 Ų208140.8 Ų140.879%0.78572%0.719SS**  cis-161-179.26.3-112.7176.9-150.2-129.4-12.8107.7
21S34.6Very low37.1Very low85 Ų85140.9 Ų140.959%0.59473%0.726SS**  cis-173.4130.3-7.6147.20000113
22R41.2Very low37.3Very low226 Ų226144 Ų14485%0.85374%0.736SS**  trans60.5137.7146.7-63.7170.9154.1-169.8-5.3124.6
23R40.3Very low37.6Very low234 Ų234141 Ų14188%0.88374%0.737SS**  166.3135.5120.1-86.7160.7-170.4-98.13.4109.3
24R41.4Very low38Very low208 Ų208141.7 Ų141.779%0.78575%0.75SS**  68.8140.362.7-74.7-163.6177.4-159.80114.3
25R39.1Very low38.6Very low216 Ų216146.2 Ų146.282%0.81577%0.773SS**  cis-175.6156.7-6.5159.1-173.5-84.7-159.1-9.2109.9
26G31.5Very low38.9Very low69 Ų69149.2 Ų149.271%0.71179%0.789SS**  trans130147.8161.300000113.1
27G28.2Very low38.9Very low58 Ų58152.8 Ų152.860%0.59880%0.795SS**  cis-134.5167.7-7.400000110.1
28E30.7Very low39.5Very low169 Ų169155.8 Ų155.879%0.7979%0.793SS**  64.6123.764.382.1-131.2118.900112.9
29D35Very low40.5Very low154 Ų154158.4 Ų158.482%0.82479%0.793SS**  cis-150.1174.723.5-92.2-52.1000116.6
30A38Very low40.9Very low91 Ų91158.7 Ų158.775%0.75280%0.799SS**  trans100.6140.2147.400000123
31L46.4Very low41.4Very low171 Ų171157.6 Ų157.690%0.89580%0.803SS**  trans77.179.7165-50.8-171.7000120
32E40.7Very low41.8Very low190 Ų190162.5 Ų162.589%0.88882%0.816SS**  trans-107.5166.5146.6-71.4-175.8138.100109.8
33S40.8Very low42Very low125 Ų125159.4 Ų159.487%0.87482%0.817SS**  trans72.395.2171-59.40000119.7
34D44.1Very low42.2Very low152 Ų152159.2 Ų159.281%0.81382%0.816SS**SBendtrans-159.543.9152.5-169.932.4000111.1
35L49.3Very low41.8Very low156 Ų156157.2 Ų157.282%0.81782%0.82SS**SBendtrans-157.318.6-167.4-118.4172.6000117.8
36E44.7Very low41.5Very low188 Ų188153.1 Ų153.188%0.87982%0.824SS**SBendtrans-113.90.2175.8-68.3-157.5137.900115
37E47Very low41.5Very low187 Ų187154.8 Ų154.887%0.87483%0.831SS**SBendtrans-94.5-36.4-173-161.2151-144.900114.3L39E37-L39 PolarHBondContact O-N 3.35Å
38D49.3Very low42.1Very low143 Ų143161 Ų16177%0.76584%0.842SS**THydrogen-bonded Turntrans-62.55.9179.7-99.85.4000115.4
39L51.8Low42.4Very low146 Ų146161.7 Ų161.776%0.76484%0.843SS**THydrogen-bonded Turntrans-116.312.5-162.8-126.1162000115.1E37E37-L39 PolarHBondContact O-N 3.35Å
40L48.4Very low42.4Very low157 Ų157161.2 Ų161.282%0.82284%0.84SS**SBendtrans-133.1-5.5-173.5-73.7176.5000117.3
41E47.6Very low42.6Very low184 Ų184161.3 Ų161.386%0.8683%0.833SS**SBendtrans-96.2-23.4-170.5-164.3155.6-134.500115.5
42E43Very low42Very low188 Ų188156.5 Ų156.588%0.87981%0.813SS**SBendtrans-91.7-10.6-162.3-59.6-171.5135.300117.3
43D44.6Very low42Very low162 Ų162153.9 Ų153.987%0.86680%0.801SS**SBendtrans-95.314.9-169.1-160.737.4000115.3
44W44.9Very low41.7Very low230 Ų230155.9 Ų155.987%0.87180%0.799SS**SBendtrans-111.1-2.2-172.3-93.9108.5000117.7
45L32.8Very low41.7Very low166 Ų166152.9 Ų152.987%0.86979%0.79SS**  trans-121.273.1-172.6-68.9178000115.4
46S31.9Very low41.3Very low129 Ų129153.3 Ų153.390%0.90279%0.793SS**  trans-165.979.6150.7-91.70000114.6
47A32.3Very low41.3Very low104 Ų104152.2 Ų152.286%0.8679%0.788SS**  trans-135.622.817400000115.9
48K40Very low41.4Very low190 Ų190151.7 Ų151.783%0.82679%0.785SS**  trans37.7101.7149.8-163.7174.5-171.2168.80118.9
49K37.1Very low41.3Very low183 Ų183151.1 Ų151.180%0.79678%0.782SS**  169.7115.4124.3-95.5178.2178.5-164.70116
50N34.9Very low40.9Very low144 Ų144149.8 Ų149.877%0.7778%0.775SS**  trans56.5-173.6144.7-43.919.5000117
51P42.5Very low40.6Very low93 Ų93148.6 Ų148.660%0.60477%0.77SS**  -135.8171.4-113.737.1-14.2000117.9
52S34.1Very low40.5Very low69 Ų69145.9 Ų145.948%0.48376%0.761SS.*  trans60.1118.1161-151.30000120.5Q88S52-Q88 VanDerWaalsContact CA-CD 3.48Å
53E40.8Very low41Very low136 Ų136142.5 Ų142.564%0.63675%0.748SS**  trans-163.389.8137.7-116.5167.2-15200109.7Y86 D87E53-Y86 HydrophobicContact CB-CD1 3.28Å; E53-Y86 HydrophobicContact CB-CE1 3.8Å; E53-Y86 HydrophobicContact CB-CG 4.08Å; E53-Y86 CarbonylContact O-C 3.51Å; E53-Y86 WeakPolarHBondContact O-CB 3.46Å; E53-Y86 VanDerWaalsContact O-CD1 3.32Å; E53-Y86 WeakPolarHBondContact O-CD1 3.32Å; E53-D87 CarbonylContact C-O 3.52Å; E53-D87 PolarHBondContact N-O 3.43Å; E53-D87 PolarHBondContact O-N 3.1Å
54M34.3Very low40.7Very low167 Ų167139.6 Ų139.682%0.82373%0.732SS**  trans-55.2150.3167.364.2-163.2173.200111.4
55S43.3Very low40.3Very low89 Ų89136.1 Ų136.162%0.62273%0.726SS**  trans-147.7112.4173.9-178.50000111.3
56D41.3Very low40.4Very low164 Ų164132.7 Ų132.788%0.87772%0.716SS**  trans-149.3159.5143.6-145.7-14.3000109.5
57E45.9Very low40.9Very low166 Ų166130.1 Ų130.178%0.77669%0.692SS**  trans-125.6129.2-171.5-58.9178129.600111.5
58E47.5Very low41.2Very low176 Ų176130.5 Ų130.582%0.82268%0.679SS**  trans-125.6122.9149.8-74.6-157.1121.700108.2
59L47.4Very low40.9Very low131 Ų131128.1 Ų128.169%0.68668%0.675SS**  68.6128.562.7-61.6179.2000111
60N43.4Very low41.1Very low117 Ų117126.3 Ų126.363%0.62668%0.675SS**  cis-165.6179.61.5-143.620.6000113.7
61D43.2Very low41.5Very low133 Ų133125.8 Ų125.871%0.71167%0.671SS**  trans71.7167.9146.5-67.1-40.1000122.6
62D45.9Very low41.1Very low127 Ų127127.9 Ų127.968%0.67968%0.677SS**  trans80.642.4168.6-770000122.2
63L51.9Low41.3Very low117 Ų117130.5 Ų130.561%0.61369%0.691SS**  trans-130.869.6135.1-76.9179.2000110.5I347L63-I347 HydrophobicContact CD1-CB 4.43Å; L63-I347 HydrophobicContact CD1-CD1 3.99Å; L63-I347 HydrophobicContact CD1-CG1 3.92Å; L63-I347 HydrophobicContact CD1-CG2 3.61Å; L63-I347 HydrophobicContact CD2-CD1 4.28Å; L63-I347 HydrophobicContact CD2-CG2 4.48Å
64L40.3Very low41Very low100 Ų100130 Ų13052%0.52470%0.702SS.*  71.5117.385.5-69.2-179.4000115.4
65Q35.3Very low41.3Very low158 Ų158125.5 Ų125.574%0.73870%0.698SS**  trans74.5135.2139.2-63.7169.4600119.9
66S35.9Very low41Very low94 Ų94130.1 Ų130.166%0.65771%0.71SS**  trans66.7142.417577.10000114.8
67D41.4Very low40.5Very low75 Ų75130.9 Ų130.940%0.40171%0.708SS.*  cis-150.7116.521.6-172.5-10.3000110.2R352D67-R352 VanDerWaalsContact C-NH2 3.32Å; D67-R352 VanDerWaalsContact O-CZ 3.26Å; D67-R352 PolarHBondContact O-NE 3.27Å; D67-R352 PolarHBondContact O-NH2 2.82Å; D67-R352 IonicContact OD1-CZ 2.8Å; D67-R352 IonicContact OD1-NE 3.18Å; D67-R352 IonicContact OD1-NH1 3.24Å; D67-R352 PolarHBondContact OD1-NH1 3.38Å; D67-R352 IonicContact OD1-NH2 2.66Å; D67-R352 PolarHBondContact OD1-NH2 3.07Å; D67-R352 IonicContact OD2-CZ 2.97Å; D67-R352 VanDerWaalsContact OD2-CZ 3.25Å; D67-R352 IonicContact OD2-NE 3.23Å; D67-R352 IonicContact OD2-NH1 3.01Å; D67-R352 PolarHBondContact OD2-NH1 3.38Å; D67-R352 IonicContact OD2-NH2 2.95Å
68D38Very low39.9Very low112 Ų112127 Ų12760%0.59971%0.705SS**  trans25.8117.4162.1-64.2-152.9000117.6R352D68-R352 PolarHBondContact O-NH2 2.86Å
69D35.4Very low39.1Very low139 Ų139124 Ų12474%0.74370%0.703SS**  70.412586.6-81.1-62.4000115.3
70D41.2Very low38.2Very low146 Ų146127.8 Ų127.878%0.78171%0.709SS**  -164.6105.8119.6-117.6-22.7000113
71L41.9Very low37.3Very low132 Ų132127.4 Ų127.469%0.69172%0.716SS**  trans43.7123.8136.5-60.5173.8000122.9
72N35.7Very low36.7Very low138 Ų138129.8 Ų129.874%0.73873%0.725SS**  trans61.6139.8136-70.5-21.9000120.9
73T36.6Very low36.1Very low124 Ų124127.2 Ų127.276%0.76173%0.728SS**  cis-159.2145.42.12.20000111.6
74S36Very low35Very low126 Ų126126.4 Ų126.488%0.88174%0.739SS**  trans63.3113.9152.9176.20000121.5
75G39Very low34.7Very low71 Ų71126.8 Ų126.873%0.73275%0.75SS**  trans153.982.1147.200000121.8
76Q38.1Very low34.5Very low186 Ų186125.7 Ų125.787%0.86974%0.74SS**  trans42.9134.8144.9-63.1-176.9-28.700125.2
77H31.6Very low34.2Very low180 Ų180125.9 Ų125.983%0.83373%0.733SS**  trans88129.5142.3-103.4-100.6000124.6
78A31.5Very low33.9Very low86 Ų86126 Ų12671%0.71173%0.732SS**  trans40.4130.4157.400000121.3
79S30.8Very low33.7Very low112 Ų112128.7 Ų128.778%0.78374%0.741SS**  cis76144.138-1450000114.4
80Y29.3Very low33.5Very low210 Ų210125.6 Ų125.682%0.82474%0.742SS**  cis-160.8176.426.939.6-115.2000115.2
81S24.8Very low32.8Very low110 Ų110126 Ų12677%0.76974%0.744SS**  trans77.8147.2150.8-167.60000122.1
82M29.5Very low32.4Very low182 Ų182126.2 Ų126.290%0.89775%0.745SS**  cis-178.3155.5-28.6178.7171-91.800111.3
83G34.5Very low32.3Very low73 Ų73126.5 Ų126.575%0.75374%0.742SS**  trans124.2123.2131.800000122.9
84A28.5Very low32.2Very low101 Ų101128.3 Ų128.384%0.83574%0.742SS**  trans162.1160.214300000111.7
85S33.8Very low32.2Very low107 Ų107127 Ų12775%0.74874%0.738SS**  cis165.7113.9-39.9164.20000113.8
86Y30.5Very low32Very low136 Ų136130.1 Ų130.153%0.53374%0.738SS.*  trans-166.4179.5149.8-150.9-103.2000114.9E53E53-Y86 HydrophobicContact CB-CD1 3.28Å; E53-Y86 HydrophobicContact CB-CE1 3.8Å; E53-Y86 HydrophobicContact CB-CG 4.08Å; E53-Y86 CarbonylContact O-C 3.51Å; E53-Y86 WeakPolarHBondContact O-CB 3.46Å; E53-Y86 VanDerWaalsContact O-CD1 3.32Å; E53-Y86 WeakPolarHBondContact O-CD1 3.32Å
87D30.7Very low31.6Very low97 Ų97130 Ų13052%0.51973%0.731SS.*  trans-109.1148.3-164-53-84.9000117.3E53E53-D87 CarbonylContact C-O 3.52Å; E53-D87 PolarHBondContact N-O 3.43Å; E53-D87 PolarHBondContact O-N 3.1Å
88Q34.7Very low31.7Very low78 Ų78127.2 Ų127.236%0.36473%0.727SS.*  -169.7159.8122.4-13849.6-160.800119.1S52S52-Q88 VanDerWaalsContact CA-CD 3.48Å
89Q33.4Very low31.7Very low169 Ų169130.2 Ų130.279%0.7973%0.731SS**  trans-58.1163.8176.7-51.8159.930.200115.6
90G30.9Very low31.9Very low74 Ų74131.6 Ų131.676%0.76373%0.729SS**  trans-155.6-113.8178.600000115.1
91N27Very low32Very low154 Ų154127.2 Ų127.282%0.82472%0.724SS**  trans98.7144177.1-159.124.7000117.3
92L34Very low32.3Very low137 Ų137128.4 Ų128.472%0.71773%0.727SS**  trans76.2105.5167.5-66.6175.3000122.7
93Q32.3Very low32.5Very low143 Ų143126.5 Ų126.567%0.66872%0.72SS**  95.2115.2114.1-149.370.315.400123
94E35.4Very low32.4Very low163 Ų163130.5 Ų130.576%0.76272%0.724SS**  trans65.9131.5149.6-79.6172.2116.500125.4
95A36.6Very low32.5Very low98 Ų98129.2 Ų129.281%0.8172%0.72SS**  trans63.4141.4141.800000121.4
96D33.3Very low32.2Very low136 Ų136129 Ų12973%0.72772%0.724SS**  cis-161.1158.5-20-160.95.4000109.6
97Y30.4Very low32.1Very low183 Ų183132.2 Ų132.272%0.71874%0.744SS**  trans57.398.1171.7-78.4-83.3000123.4
98T34.2Very low31.9Very low122 Ų122130.8 Ų130.875%0.74875%0.753SS**  65.2128.1125.856.60000125.7
99D31.6Very low31.4Very low149 Ų149132.3 Ų132.380%0.79777%0.771SS**  trans78.882.6142-110.943.7000121.7
100D34Very low30.9Very low141 Ų141131.7 Ų131.775%0.75477%0.768SS**  trans60.9114.5130.6-68.814.1000125
101V31.6Very low30.5Very low118 Ų118135.7 Ų135.772%0.71577%0.767SS**  trans77.899.3135.5-1790000120.4
102V31.7Very low30.5Very low136 Ų136135.7 Ų135.782%0.82476%0.762SS**  -174.4126.3104.5-85.80000115.6
103N34Very low30.2Very low141 Ų141136.9 Ų136.975%0.75476%0.764SS**  54.5113.5126.5-154.949.3000125.3
104L32.4Very low29.9Very low158 Ų158138 Ų13883%0.82777%0.769SS**  trans58.4127.6139.5-78.9175.4000125.2
105G29.3Very low29.6Very low74 Ų74136.5 Ų136.576%0.76376%0.762SS**  trans98.5153.613500000118.1
106A29.5Very low29Very low101 Ų101137.2 Ų137.284%0.83575%0.747SS**  cis-161.2168.6-10.800000112.1
107E27.3Very low28.6Very low204 Ų204137.7 Ų137.795%0.95374%0.739SS**  trans-10.2152.6171.8-56.4-17816800123.1
108G27.3Very low28.4Very low67 Ų67135 Ų13569%0.69173%0.733SS**  trans136.8129.2174.600000110.6
109C22.9Very low28.1Very low111 Ų111136.3 Ų136.375%0.7573%0.73SS**  cis57.7125.720-47.50000112.2
110E22.6Very low28Very low155 Ų155137 Ų13772%0.72473%0.729SS**  cis-129.1-165.411.8-80.598.6-141.800112.9
111E23.4Very low27.7Very low158 Ų158138.8 Ų138.874%0.73873%0.733SS**  trans29.8145.6131.2-68.3154.2-164.900120
112E27.4Very low27.7Very low155 Ų155138 Ų13872%0.72474%0.738SS**  cis-172-176.5-0.9-118.6174.1162.400108.2
113E27.3Very low27.4Very low162 Ų162141.1 Ų141.176%0.75774%0.737SS**  trans65.3133.4159.5-73.8174.5174.400117.6
114E26.6Very low27.1Very low165 Ų165139 Ų13977%0.77174%0.739SS**  67.7139.467-66.2-171.2-176.400113.2
115E28.4Very low27Very low132 Ų132134.9 Ų134.962%0.61773%0.734SS**  cis-157.51693.9-138.1-171.2167.800112.2
116F23.2Very low26.8Very low114 Ų114136.8 Ų136.850%0.574%0.736SS.*  trans70.2138.7143.8-91.4-39.4000126
117R26.6Very low26.5Very low146 Ų146141.2 Ų141.255%0.55173%0.732SS**  trans86.9118.6137.3-73.7170.8-156.8-76.3-7.1118.7
118Q26.2Very low26.4Very low126 Ų126138.5 Ų138.559%0.58972%0.724SS**  85.4128.955.1-170.7-174.629.300110.5
119E27Very low26.8Very low150 Ų150143.3 Ų143.370%0.70173%0.729SS**  cis-172.5-179.7-7.4177171.9-163.500108.3
120E29.2Very low27Very low163 Ų163147 Ų14776%0.76274%0.735SS**  trans89.6119.6148-145.1161.4-145.400121
121E28.6Very low27.1Very low179 Ų179146 Ų14684%0.83674%0.735SS**  trans55.4105.2152.2-71.2-167.7158.700123.7
122A31.8Very low27.8Very low101 Ų101145 Ų14584%0.83574%0.735SS**  trans-148.2103130.800000112.3A124A122-A124 PolarHBondContact O-N 3.33Å; A122-A124 VanDerWaalsContact O-N 3.09Å
123Y25.5Very low28.2Very low202 Ų202143.6 Ų143.679%0.79274%0.736SS**  trans-76.590.2-177.7176.5-96.3000113Y127Y123-Y127 HydrophobicContact CD2-CE2 4.44Å
124A27.8Very low28.3Very low96 Ų96143.1 Ų143.179%0.79373%0.734SS**  trans175.3115.3145.500000113.4A122A122-A124 PolarHBondContact O-N 3.33Å; A122-A124 VanDerWaalsContact O-N 3.09Å
125G30Very low28.8Very low71 Ų71144 Ų14473%0.73274%0.741SS**SBendtrans134.571.3160.300000116.5
126S24.4Very low28.8Very low114 Ų114143.8 Ų143.880%0.79775%0.753SS**  trans59.787.7173.9-57.20000114.3
127Y23.6Very low29.3Very low195 Ų195141.1 Ų141.177%0.76576%0.759SS**  trans-50.7138.6-178.3-90.1-93.8000114.3Y123Y123-Y127 HydrophobicContact CD2-CE2 4.44Å
128N25.7Very low29.5Very low147 Ų147141.8 Ų141.879%0.78677%0.773SS**  trans-95.1169168.8-86-78.6000112
129Q35.5Very low29.5Very low167 Ų167144.4 Ų144.478%0.7879%0.785SS**  trans-43.4142.7159.4166.5-178.3-2.700115.1
130E25.4Very low29.5Very low189 Ų189144.6 Ų144.688%0.88379%0.789SS**  trans-178.7179.5157.2-105.7156.7-135.400109.5
131D25.8Very low29.5Very low134 Ų134144.3 Ų144.372%0.71779%0.793SS**  -140.6-163.8-100.1-150.6-36.6000110.3
132N38.5Very low29.8Very low138 Ų138147 Ų14774%0.73880%0.797SS**  trans-87.1173-173.6-68.1-95.3000114.2
133T34.3Very low29.8Very low124 Ų124146.1 Ų146.176%0.76180%0.798SS**  trans102.9116.8147.1-46.40000118.3
134E29.4Very low29.8Very low152 Ų152140.4 Ų140.471%0.7180%0.801SS**  -159155.1114.9-118-172177.400112.4
135M38.1Very low30.3Very low184 Ų184144.6 Ų144.691%0.90680%0.804SS**  trans-110.2145.9-172.9-75.4-168.2179.100113.7
136S29Very low31.2Very low127 Ų127146.2 Ų146.289%0.88880%0.801SS**  trans-158.5151.9141.360.50000110.2
137G32.1Very low31.6Very low59 Ų59145.8 Ų145.861%0.60881%0.805SS**  cis165.7127.8-10.300000113
138N31.3Very low32.6Very low159 Ų159146.1 Ų146.185%0.8581%0.814SS**  trans82.7134.6166.7-45.8-59.5000119.9
139Q26.7Very low32.9Very low181 Ų181142.9 Ų142.985%0.84682%0.815SS**  trans69.9132.7153-84.6174.31.900118.6
140I26.6Very low32.9Very low154 Ų154142.5 Ų142.579%0.7982%0.818SS**  cis-149.91517.5-11.9163.2000113
141D28.5Very low33.4Very low157 Ų157140.3 Ų140.384%0.8481%0.812SS**  trans71.8164.1145.2-139.1-2.1000122.3
142Y35.5Very low33.8Very low235 Ų235137 Ų13792%0.92281%0.81SS**  trans-94.8148.2-162.6-125.4-115000114.2
143G32.2Very low33.6Very low83 Ų83140.9 Ų140.986%0.85682%0.816SS**  trans-145.1-34.4-169.200000121.1
144G26.3Very low33.6Very low82 Ų82143.6 Ų143.685%0.84582%0.82SS**  trans102.7149170.500000119
145E37.8Very low34.1Very low184 Ų184146.4 Ų146.486%0.8683%0.825SS**  trans-113.3-177174.7-119.4-151.8153.600109.6
146P49.3Very low34.6Very low105 Ų105146.9 Ų146.968%0.68283%0.826SS**  cis-132.9171.6-31.633.1-16.3000113.6
147A33Very low35.3Very low106 Ų106146.5 Ų146.588%0.87682%0.818SS**  trans-166.4147.915200000113.2
148E42.8Very low35.9Very low202 Ų202151.7 Ų151.794%0.94483%0.831SS**  trans-82.2158.6175.7-59166.1120.300112.8
149G32.3Very low36.2Very low79 Ų79151.3 Ų151.381%0.81483%0.828SS**  trans-154.7113.5173.600000112.9
150D35.3Very low37.1Very low158 Ų158150 Ų15085%0.84583%0.825SS**  trans-80.8167.4-172.6-162.914.6000113.7
151D36Very low37.5Very low143 Ų143150 Ų15077%0.76583%0.827SS**  trans-74.9165.3-176.477.340.2000114.8
152G34.8Very low38.2Very low64 Ų64149.7 Ų149.766%0.6682%0.824SS**  trans-157.180.2-16700000115.9
153Y35Very low38Very low220 Ų220145.6 Ų145.686%0.86382%0.818SS**  trans-113.6126.3163.8-78.1-83.6000111.7
154Q33Very low38.4Very low181 Ų181150.7 Ų150.785%0.84682%0.819SS**  trans-82.6152.7-173.9-70.1-71-25.300112.6
155Y39.8Very low39.2Very low211 Ų211153 Ų15383%0.82782%0.817SS**  trans-105.1122.7170.4-76.5-114.6000109
156E49.4Very low39.8Very low195 Ų195152.3 Ų152.391%0.91182%0.819SS**  trans-101.4144.7163.2-66.6-161.5161.200111
157V42.7Very low39.1Very low119 Ų119155.3 Ų155.372%0.72183%0.829SS**  trans-121.4126-174.1176.10000108
158L45.8Very low39.1Very low168 Ų168153.6 Ų153.688%0.8882%0.821SS**  trans-89.3107.1174.4-69.3174.1000110.2
159D37.9Very low38.7Very low150 Ų150152.3 Ų152.380%0.80282%0.816SS**  trans-71.6139166.1-77.8-50.8000110.5
160I45.2Very low38.7Very low153 Ų153157.3 Ų157.379%0.78582%0.815SS**  trans-103.893.2-179.7-56.8176.8000108.9I162I160-I162 PolarHBondContact O-N 3.45Å
161D34.2Very low38.5Very low154 Ų154157.8 Ų157.882%0.82481%0.812SS**  trans-71.9117.2171.1-95.6-32.5000110.9
162I43.2Very low38.5Very low151 Ų151157.1 Ų157.177%0.77481%0.809SS**  trans-93109.5173.6-58.9173.9000108.1I160I160-I162 PolarHBondContact O-N 3.45Å
163N31.6Very low38.2Very low149 Ų149163 Ų16380%0.79782%0.819SS**  trans-147.941.7-178-132.3-9.7000115
164E41.6Very low38.2Very low190 Ų190161 Ų16189%0.88882%0.818SS**  trans-107.5130.8158.2-70.2-164.816900110.2
165T41.9Very low37.9Very low131 Ų131161.7 Ų161.780%0.80482%0.818SS**  trans-90.9123.2-174.947.80000111.7D167T165-D167 PolarHBondContact O-N 3.29Å
166L51.8Low37.3Very low170 Ų170157.6 Ų157.689%0.8981%0.807SS**  trans-68.3108.4160.2-69.9167.7000109.7
167D33.6Very low36.2Very low168 Ų168158.4 Ų158.490%0.89880%0.801SS**  trans175.1149.8137.7-100-22.5000112.5T165T165-D167 PolarHBondContact O-N 3.29Å
168G32.2Very low35.3Very low69 Ų69157.4 Ų157.471%0.71180%0.8SS**  trans117.7117.7159.200000116.4
169E35.1Very low34.2Very low176 Ų176157 Ų15782%0.82280%0.799SS**  trans66.4100.3172.6-58.4176.6-163.300115.4
170F31.7Very low33.5Very low183 Ų183153 Ų15380%0.80379%0.793SS**  cis51.774.210.2-94.9-71.8000116.2
171Q31.3Very low32.5Very low168 Ų168153.6 Ų153.679%0.78580%0.797SS**  trans-142.9106.8142.6-117.4161.493.300108.6
172N36Very low32Very low129 Ų129155.5 Ų155.569%0.6980%0.801SS**  trans-106.689.7178.9-64.8-25.2000108.9
173E30.1Very low31.2Very low188 Ų188152.5 Ų152.588%0.87980%0.799SS**  trans-157.5133.6167.2-96.6138.3-133.400104.5
174E34.9Very low31Very low179 Ų179154.5 Ų154.584%0.83680%0.804SS**  cis-130.4129.645.4-177.6169.9-16500114.2
175F26.8Very low30.3Very low195 Ų195151.3 Ų151.386%0.85580%0.797SS**  trans-82.7126.3163-129.6-97.3000108.4
176Q26.8Very low29.7Very low125 Ų125151.3 Ų151.358%0.58480%0.797SS**  trans178.7142.1136.7-104.3159.110000116.6
177R25.4Very low28.4Very low211 Ų211150.1 Ų150.180%0.79679%0.787SS**  trans68.3150.3152.7-61.6158.6-158.1-121.84.6116.5
178S24.1Very low28.1Very low99 Ų99149.8 Ų149.869%0.69278%0.78SS**  cis-164.7163.1-23.247.70000110.2
179N23.5Very low27.8Very low160 Ų160153.9 Ų153.986%0.85678%0.781SS**  trans3.2123154.6-54.6-13000119
180G23.5Very low27.3Very low66 Ų66152.2 Ų152.268%0.6878%0.778SS**  98124.9123.600000117.7
181N23.1Very low27Very low164 Ų164147.7 Ų147.788%0.87777%0.774SS**  trans68167.1163.6-602.5000112.6
182E24.2Very low26.8Very low194 Ų194148.3 Ų148.391%0.90778%0.777SS**  cis-125.8170.422.1-68163.3143.500114.1
183A26.3Very low26.2Very low88 Ų88151.3 Ų151.373%0.72779%0.786SS**  trans-107.6158.3172.100000110.1
184E28.2Very low26.1Very low191 Ų191146.1 Ų146.189%0.89378%0.783SS**  trans71.5156.6157.6-156.5141.8-143.500118.2
185T25.8Very low25.7Very low123 Ų123148.7 Ų148.776%0.75579%0.785SS**  trans-121.6147.2-176.848.70000109
186T28.4Very low25.7Very low131 Ų131150.4 Ų150.480%0.80479%0.786SS**  trans-173167.4137.8-82.20000111.8
187Q26Very low25.7Very low145 Ų145147.8 Ų147.868%0.67879%0.792SS**  trans-66.6164.9-161-62.4141.6-111.900119.7
188E26Very low25.8Very low161 Ų161145.3 Ų145.375%0.75279%0.79SS**  101.2154.2127.7-97.5154.1-120.400124.5
189E26.9Very low26Very low156 Ų156147.9 Ų147.973%0.72979%0.791SS**  trans53.6118.3171.2-70.3-108.978.500122.2
190N23.4Very low26.3Very low141 Ų141147.2 Ų147.275%0.75478%0.783SS**  32.2155116.5-84.3-38.3000123.5
191A26.5Very low26.7Very low87 Ų87151.6 Ų151.672%0.71979%0.786SS**  trans73.6100.6151.400000119.8
192E26.3Very low27.2Very low181 Ų181152 Ų15285%0.84678%0.782SS**  67.2128.9110.3-162.3151.5-137.700122
193E24.9Very low27.3Very low192 Ų192149.7 Ų149.790%0.89778%0.776SS**  trans57.9-178.1165.9-72.3-149.9128.300118.9
194G26.8Very low27.5Very low79 Ų79149 Ų14981%0.81477%0.77SS**  trans111.5110.7168.600000116.4
195R26.2Very low27.4Very low233 Ų233145.3 Ų145.388%0.87976%0.761SS**  trans-96.9144.9164.6-72.2178.5169.1-152.7-1110.5
196R26.8Very low27.4Very low232 Ų232148.3 Ų148.388%0.87577%0.767SS**  trans55.1129.1148.9-76.4175.5153-101.70.7118.6
197G28.2Very low27.2Very low69 Ų69150.7 Ų150.771%0.71177%0.769SS**  trans138.793.3130.600000118.2
198E27.8Very low28Very low159 Ų159148.9 Ų148.974%0.74377%0.769SS**  51.6123.1128-71.6177.6-140.800122.9
199Q27.9Very low28.5Very low154 Ų154146.2 Ų146.272%0.7277%0.766SS**  trans90.4115.8136.5-67.117675.600122.3
200Q28.8Very low28.4Very low146 Ų146144.1 Ų144.168%0.68276%0.764SS**  96.4119.3123-165.7167.28.100123.1
201E32.4Very low28.4Very low157 Ų157147.3 Ų147.373%0.73477%0.767SS**  trans50.5158.6148.1-66.3165.7156.300120.5
202E32.7Very low28.3Very low173 Ų173150.3 Ų150.381%0.80877%0.766SS**  cis-158.3157.33.1-136.8-176.4163.400112.5
203D27.4Very low28.3Very low145 Ų145146.7 Ų146.778%0.77576%0.756SS**  trans58.8146.3143.9-150.731.5000127.7
204A30.2Very low28.5Very low74 Ų74145.7 Ų145.761%0.61275%0.752SS**  trans56.4155.9149.800000125.2
205T27Very low28.7Very low113 Ų113150.9 Ų150.969%0.69376%0.755SS**  cis-175.6151.2-22.5-86.70000112.2
206E26Very low28.8Very low187 Ų187143.1 Ų143.187%0.87475%0.747SS**  trans83.6150.6158-87.2160.3-14200126.1
207E23.7Very low28.7Very low181 Ų181135.5 Ų135.585%0.84674%0.74SS**  trans-77.6-165.6-168.9-42.3178.3126.600117.2
208P41.5Very low28.4Very low107 Ų107140.6 Ų140.670%0.69575%0.751SS**  cis-125.9-123.1-16.729.9-3.8000111.3
209P36.5Very low28.4Very low104 Ų104141.7 Ų141.768%0.67575%0.754SS**  cis-138.1121.3-33.831.9-8.3000119.1
210V24.5Very low28.3Very low113 Ų113140.4 Ų140.469%0.68576%0.756SS**  trans44.5143.6131.5-142.90000126.3
211Y25Very low28.3Very low208 Ų208139.9 Ų139.982%0.81676%0.758SS**  trans89.6158.1158.5-54.6-72.9000120.7
212E23.9Very low28Very low149 Ų149140.6 Ų140.670%0.69677%0.765SS**  -173170.5-53.1-172.6159.2-148.900110.2
213T26.8Very low27.7Very low105 Ų105139.5 Ų139.564%0.64476%0.76SS**  trans121.9139.2150.6-34.50000119.7
214E29.4Very low27.8Very low172 Ų172140.2 Ų140.280%0.80476%0.764SS**  trans53.2155.9158.464.6-140.2145.200122.9
215E29.1Very low27.8Very low188 Ų188144.6 Ų144.688%0.87977%0.772SS**  cis-144.6-175.32-145.8-167.2155.700112.1
216G28.6Very low27.8Very low69 Ų69146 Ų14671%0.71178%0.781SS**  trans-105-171.3172.600000112.9
217G24.9Very low27.8Very low72 Ų72144 Ų14474%0.74277%0.771SS**  cis170.6171.10.400000108.9
218N22.5Very low28.1Very low176 Ų176142.6 Ų142.694%0.94177%0.765SS**  trans-144.3153178.9-101.5-44.3000114.1
219K28.3Very low27.3Very low183 Ų183146.4 Ų146.480%0.79677%0.773SS**  trans-158.4140.2-162.556.4-175.8175.3179.70114.9
220T25.6Very low27Very low126 Ų126145.9 Ų145.977%0.77377%0.772SS**  trans52.1125144.2560000122.4
221L27.9Very low27.6Very low136 Ų136146.8 Ų146.871%0.71277%0.773SS**  trans80.5133.9134.6-15676.7000119.5E223L221-E223 HydrophobicContact CD1-CG 4.11Å; L221-E223 HydrophobicContact CD2-CG 4.2Å; L221-E223 HydrophobicContact CG-CG 4.2Å
222L25.5Very low28Very low171 Ų171144.1 Ų144.190%0.89577%0.768SS**  trans-144.9125141.8-122.1167.3000107.8
223E26.5Very low28.5Very low151 Ų151144.9 Ų144.971%0.70677%0.772SS**  trans-97.1150.5167.1-63.9160.4124.500107.7L221L221-E223 HydrophobicContact CD1-CG 4.11Å; L221-E223 HydrophobicContact CD2-CG 4.2Å; L221-E223 HydrophobicContact CG-CG 4.2Å
224D29.5Very low29.1Very low159 Ų159147.3 Ų147.385%0.8578%0.781SS**  -158.7164126.9-139.9-23.7000111.3
225E30.3Very low29.6Very low167 Ų167148 Ų14878%0.7878%0.784SS**  trans-89.4151.6-174.6-55178.372.800112.9
226T28.6Very low30.2Very low142 Ų142148.5 Ų148.587%0.87179%0.786SS**  -169.6169.2129.512.70000114.4
227Q25.7Very low30.6Very low144 Ų144148.6 Ų148.667%0.67379%0.787SS**  trans-78.7164.5-164.8-67.1157.4-108.400117.3
228E28.8Very low31.1Very low153 Ų153149.9 Ų149.972%0.71579%0.791SS**  trans71.2157.4138.6-81.9145.4-143.800121.1
229E24.8Very low31.9Very low186 Ų186149.7 Ų149.787%0.86978%0.784SS**  trans26143.2161.5-66.4-174.3143.200119.4
230S31.8Very low32.2Very low93 Ų93146.2 Ų146.265%0.6578%0.783SS**  cis171.4-169.10.8-174.30000103.3
231D35.5Very low32.6Very low132 Ų132143.4 Ų143.471%0.70678%0.779SS**  trans70.8124.9148.1-7528.6000121.2
232E33Very low32.9Very low153 Ų153148.1 Ų148.172%0.71579%0.787SS**  trans67.4114.2134.9-49.8-73.586.500121.8
233E34.5Very low33.4Very low165 Ų165148.4 Ų148.477%0.77179%0.788SS**  62.6104.7128.1-58.4-154.3151.800123.2
234D40.6Very low33.7Very low156 Ų156151.8 Ų151.883%0.83479%0.794SS**  74.9178.1116.5-112.1-21.9000123.5
235E40Very low34.1Very low186 Ų186153.7 Ų153.787%0.86980%0.795SS**  trans79.5106175.3-58.3-146.3144.500120.5
236E41.5Very low34.2Very low198 Ų198155.1 Ų155.193%0.92580%0.799SS**  trans-32.4165.2159.7-46.5-176.4142.500118.9
237G37.1Very low34.6Very low71 Ų71152.7 Ų152.773%0.73279%0.787SS**  trans160.7148.9136.100000118.5
238A35.5Very low35.2Very low99 Ų99152.9 Ų152.982%0.81879%0.788SS**  trans49.195.8162.800000116.7
239E38.3Very low35.5Very low173 Ų173155.5 Ų155.581%0.80879%0.792SS**  66.213854.2-149.9-126.3120.800115.1
240S35Very low36.4Very low109 Ų109155.8 Ų155.876%0.76279%0.79SS**  trans63.7141.1173.4-83.10000117.8
241G33.4Very low36.8Very low67 Ų67159.4 Ų159.469%0.69180%0.802SS**  cis142.9163-3.600000113.3
242R35.6Very low36.8Very low235 Ų235156.8 Ų156.889%0.88781%0.806SS**  trans66.765.5161.5-156.4-179.1-161.9155.15.7117.3R244R242-R244 PolarHBondContact O-N 3.43Å
243I36.2Very low36.7Very low177 Ų177154.1 Ų154.191%0.90881%0.811SS**  trans-45133.615644.4169.2000112.5
244R32Very low36.6Very low222 Ų222151.9 Ų151.984%0.83881%0.808SS**  trans-150.695.1172.1-167.4177.8-176.3-172.8-1111.7R242R242-R244 PolarHBondContact O-N 3.43Å
245F38.4Very low36.8Very low200 Ų200149.5 Ų149.588%0.87780%0.799SS**  trans22116.3161.8-56.8-87.9000119.9
246K32.9Very low36.5Very low197 Ų197152 Ų15286%0.85780%0.8SS**  trans-168.5109.3135.1-84.1-124.1176.1-173.30106.7
247S36Very low36.8Very low90 Ų90149.8 Ų149.863%0.62979%0.794SS**  81125.678.770.20000114.3
248E37.8Very low37Very low148 Ų148151 Ų15169%0.69280%0.796SS**  trans68.3122.3144.4-160.2-163.912800117.2
249R35Very low37.1Very low208 Ų208153.1 Ų153.179%0.78579%0.794SS**  -167.7166.773.5-167.9162-77-175.9-4.1112.3
250K44.8Very low37.3Very low192 Ų192150.2 Ų150.284%0.83579%0.793SS**  trans-75.9146.8166.6-68.2178.1178.4175.90110.2
251D39.3Very low37.7Very low170 Ų170148.6 Ų148.691%0.90979%0.793SS**  trans-153.7158.2142.8-92.9-45.7000109
252G35.7Very low38.2Very low77 Ų77150.5 Ų150.579%0.79480%0.796SS**  trans-171.2130.5178.900000114
253A30.2Very low38.8Very low97 Ų97149.4 Ų149.480%0.80280%0.798SS**  trans-147.1127.7178.100000113.2
254V34.4Very low39.4Very low118 Ų118150 Ų15072%0.71579%0.794SS**  trans38.794.3147.8-163.60000120.3
255V43.3Very low40.3Very low106 Ų106150.9 Ų150.964%0.64280%0.797SS**  28.9124.4121.6-174.50000120.1L257V255-L257 HydrophobicContact CG1-CD1 4.31Å; V255-L257 HydrophobicContact CG1-CG 3.91Å
256R33.4Very low40.1Very low239 Ų239149.6 Ų149.690%0.90279%0.794SS**  trans-132.7123.8130.2-89.8-169.8169.382.6-0.3110.9A258R256-A258 PolarHBondContact O-N 3.29Å; R256-A258 VanDerWaalsContact O-N 3.15Å
257L47.7Very low40.9Very low151 Ų151147.2 Ų147.279%0.79179%0.789SS**  trans-85.478-177-76.3164.4000111.7V255V255-L257 HydrophobicContact CG1-CD1 4.31Å; V255-L257 HydrophobicContact CG1-CG 3.91Å
258A42.5Very low41.7Very low95 Ų95146.9 Ų146.979%0.78578%0.784SS**SBendtrans-138.610.9178.200000115.3R256R256-A258 PolarHBondContact O-N 3.29Å; R256-A258 VanDerWaalsContact O-N 3.15Å
259D37.4Very low42.2Very low145 Ų145149.2 Ų149.278%0.77580%0.796SS**  trans-136.727.7-177-128.8-31.5000114G261D259-G261 PolarHBondContact O-N 3.49Å
260S42.7Very low42.8Very low111 Ų111144 Ų14478%0.77679%0.787SS**THydrogen-bonded Turntrans-77.831.9-174.6-54.50000113.9
261G42.3Very low43Very low75 Ų75142.3 Ų142.377%0.77379%0.786SS**THydrogen-bonded Turntrans-116.6-26.5-166.900000117.3D259D259-G261 PolarHBondContact O-N 3.49Å
262S44.7Very low44.2Very low108 Ų108141.9 Ų141.976%0.75578%0.778SS**  trans-12026.4-163.6-150.40000116.3K264S262-K264 PolarHBondContact O-N 3.42Å
263K48.3Very low45.1Very low211 Ų211141.9 Ų141.992%0.91776%0.76SS**  trans-9075.4177.3-74.9-175.4176.71770113.1
264K48.9Very low46.5Very low190 Ų190140.8 Ų140.883%0.82675%0.746SS**SBendtrans-156.1112.8163-115.8166.5-173.31730113.9S262S262-K264 PolarHBondContact O-N 3.42Å
265R50.9Low48Very low240 Ų240140.7 Ų140.791%0.90674%0.742SS**  trans81.596.4-178.4-56.3176-67.7-169.60.9115
266H33Very low49Very low174 Ų174142.6 Ų142.681%0.80674%0.742SS**  trans-91.3103.2165.8-175.5-67000108.4
267I51.3Low50.7Low146 Ų146132.8 Ų132.875%0.74971%0.712SS**  trans-92.3127.6166.1-58.2175.8000106.2E269I267-E269 PolarHBondContact O-N 3.27Å
268P51.3Low51.7Low83 Ų83130.1 Ų130.154%0.53969%0.694SS.*  trans-63.6118.9172.5-20.233.2000110.7T270P268-T270 PolarHBondContact O-N 3.11Å
269E49.1Very low53.5Low198 Ų198132.3 Ų132.393%0.92569%0.685SS**  trans-80.845.6176.5-163.5170.9-159.700111.1I267I267-E269 PolarHBondContact O-N 3.27Å
270T47.4Very low55.7Low97 Ų97129.3 Ų129.360%0.59567%0.669SS**  trans-133.333.2-168.367.30000112.2P268 E272P268-T270 PolarHBondContact O-N 3.11Å; T270-E272 PolarHBondContact O-N 3.44Å; T270-E272 VanDerWaalsContact O-N 3.15Å
271L48.8Very low57.6Low157 Ų157128.7 Ų128.782%0.82266%0.657SS**  trans-82.671.6158.8-174.463.6000108.1L273L271-L273 PolarHBondContact O-N 3.38Å
272E63.9Low59.1Low161 Ų161131.3 Ų131.375%0.75265%0.65SS**  trans-63.6108.6172.6-69.2175.7-16000108.5T270 S274T270-E272 PolarHBondContact O-N 3.44Å; T270-E272 VanDerWaalsContact O-N 3.15Å; E272-S274 PolarHBondContact O-N 3.27Å
273L55.9Low60.9Low77 Ų77131.7 Ų131.740%0.40364%0.64SS.*  trans-60132.1168.2-65178.8000107.8L271 A277 K278 L281L271-L273 PolarHBondContact O-N 3.38Å; L273-A277 HydrophobicContact CB-CB 4.05Å; L273-A277 HydrophobicContact CD2-CB 4.41Å; L273-K278 HydrophobicContact CB-CG 3.94Å; L273-K278 VanDerWaalsContact O-CE 3.29Å; L273-K278 WeakPolarHBondContact O-CE 3.43Å; L273-K278 PolarHBondContact O-NZ 2.73Å; L273-L281 HydrophobicContact CD1-CD2 4.07Å
274S59.8Low62.5Low74 Ų74127.6 Ų127.652%0.51762%0.623SS.*  trans-56.3152.8172.462.80000109.9E272 K276 A277 K278E272-S274 PolarHBondContact O-N 3.27Å; S274-K276 CarbonylContact O-C 3.22Å; S274-K276 PolarHBondContact O-N 2.99Å; S274-K276 VanDerWaalsContact O-N 3.12Å; S274-A277 CarbonylContact O-C 3.52Å; S274-A277 WeakPolarHBondContact O-CA 2.77Å; S274-A277 WeakPolarHBondContact O-CB 2.91Å; S274-A277 PolarHBondContact O-N 3.47Å; S274-A277 PolarHBondContact OG-N 3.49Å; S274-K278 PolarHBondContact O-N 3.38Å
275D65.4Low64.1Low116 Ų116123.6 Ų123.662%0.6261%0.607SS**Hα-helixtrans-65.2-23.9-173.3-52.5-69.3000112.5K278 K279D275-K278 IonicContact OD1-NZ 3.62Å; D275-K278 PolarHBondContact OD1-NZ 3.05Å; D275-K279 VanDerWaalsContact O-CB 3.29Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 2.83Å
276K63.5Low65.2Low147 Ų147115.6 Ų115.664%0.63959%0.585SS**Hα-helixtrans-62.5-51.3161.9-178.1171179.11740112.5S274 K278 K279 D280S274-K276 CarbonylContact O-C 3.22Å; S274-K276 PolarHBondContact O-N 2.99Å; S274-K276 VanDerWaalsContact O-N 3.12Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.43Å; K276-K279 CarbonylContact O-C 3.6Å; K276-K279 PolarHBondContact O-N 3.25Å; K276-K279 VanDerWaalsContact O-N 3.09Å; K276-D280 WeakPolarHBondContact CE-OD1 3.13Å; K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.43Å; K276-D280 WeakPolarHBondContact CG-OD1 3.36Å; K276-D280 WeakPolarHBondContact O-CB 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.27Å
277A69.7Low67.2Low33 Ų33113.1 Ų113.127%0.27357%0.574SS.*Hα-helixtrans-64.2-29.6177.500000113.2L273 S274 L281L273-A277 HydrophobicContact CB-CB 4.05Å; L273-A277 HydrophobicContact CD2-CB 4.41Å; S274-A277 CarbonylContact O-C 3.52Å; S274-A277 WeakPolarHBondContact O-CA 2.77Å; S274-A277 WeakPolarHBondContact O-CB 2.91Å; S274-A277 PolarHBondContact O-N 3.47Å; S274-A277 PolarHBondContact OG-N 3.49Å; A277-L281 WeakPolarHBondContact O-CB 3.3Å; A277-L281 PolarHBondContact O-N 3.21Å; A277-L281 VanDerWaalsContact O-N 3.12Å
278K69.6Low68.2Low94 Ų94108.9 Ų108.941%0.40955%0.551SS.*Hα-helixtrans-65.9-45.1168.3-60.9-175.3-175.693.60111.2L273 S274 D275 K276 L281 M282L273-K278 HydrophobicContact CB-CG 3.94Å; L273-K278 VanDerWaalsContact O-CE 3.29Å; L273-K278 WeakPolarHBondContact O-CE 3.43Å; L273-K278 PolarHBondContact O-NZ 2.73Å; S274-K278 PolarHBondContact O-N 3.38Å; D275-K278 IonicContact OD1-NZ 3.62Å; D275-K278 PolarHBondContact OD1-NZ 3.05Å; K276-K278 VanDerWaalsContact C-N 3.27Å; K276-K278 PolarHBondContact O-N 3.43Å; K278-L281 PolarHBondContact O-N 2.79Å; K278-M282 WeakPolarHBondContact O-CB 3.42Å; K278-M282 PolarHBondContact O-N 3.41Å
279K78.8Confident69.2Low141 Ų141112 Ų11261%0.61355%0.552SS**Hα-helixtrans-66.6-48.3177.8-174.9172.9179.5173.80112.3D275 K276 L281 M282 E283D275-K279 VanDerWaalsContact O-CB 3.29Å; D275-K279 WeakPolarHBondContact O-CB 3.43Å; D275-K279 PolarHBondContact O-N 2.83Å; K276-K279 CarbonylContact O-C 3.6Å; K276-K279 PolarHBondContact O-N 3.25Å; K276-K279 VanDerWaalsContact O-N 3.09Å; K279-L281 PolarHBondContact O-N 2.78Å; K279-M282 CarbonylContact O-C 3.3Å; K279-M282 PolarHBondContact O-N 3.26Å; K279-M282 VanDerWaalsContact O-N 3.11Å; K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 PolarHBondContact O-N 2.73Å
280D83.5Confident70Confident82 Ų82108 Ų10844%0.43953%0.533SS..Hα-helixtrans-58-37.8175.7-664.5000110.6K276 F284K276-D280 WeakPolarHBondContact CE-OD1 3.13Å; K276-D280 VanDerWaalsContact CE-OD2 3.3Å; K276-D280 WeakPolarHBondContact CE-OD2 3.43Å; K276-D280 WeakPolarHBondContact CG-OD1 3.36Å; K276-D280 WeakPolarHBondContact O-CB 3.5Å; K276-D280 VanDerWaalsContact O-CG 3.24Å; K276-D280 PolarHBondContact O-N 3.27Å; D280-F284 VanDerWaalsContact O-CB 3.23Å; D280-F284 WeakPolarHBondContact O-CB 3.13Å; D280-F284 PolarHBondContact O-N 2.85Å
281L82.3Confident70.9Confident98 Ų98109.7 Ų109.751%0.51353%0.532SS..Hα-helixtrans-69.5-41.8174.2179.262.2000112.6L273 A277 K278 K279 F284 E285L273-L281 HydrophobicContact CD1-CD2 4.07Å; A277-L281 WeakPolarHBondContact O-CB 3.3Å; A277-L281 PolarHBondContact O-N 3.21Å; A277-L281 VanDerWaalsContact O-N 3.12Å; K278-L281 PolarHBondContact O-N 2.79Å; K279-L281 PolarHBondContact O-N 2.78Å; L281-F284 PolarHBondContact O-N 3.07Å; L281-E285 PolarHBondContact O-N 3.06Å
282M75.6Confident71.5Confident130 Ų130110.6 Ų110.664%0.6453%0.525SS*.Hα-helixtrans-66.4-43176.4-175.4-176.9-68.700111.6K278 K279 E285 V286K278-M282 WeakPolarHBondContact O-CB 3.42Å; K278-M282 PolarHBondContact O-N 3.41Å; K279-M282 CarbonylContact O-C 3.3Å; K279-M282 PolarHBondContact O-N 3.26Å; K279-M282 VanDerWaalsContact O-N 3.11Å; M282-E285 PolarHBondContact O-N 2.88Å; M282-V286 WeakPolarHBondContact O-CB 3.42Å; M282-V286 VanDerWaalsContact O-CG2 3.31Å; M282-V286 WeakPolarHBondContact O-CG2 3.44Å; M282-V286 PolarHBondContact O-N 3.39Å
283E81.5Confident71.1Confident116 Ų116109.8 Ų109.854%0.54252%0.521SS..Hα-helixtrans-64-42.7175.4-171.9177.8146.100110.8K279 V286 Q287K279-E283 WeakPolarHBondContact O-CB 3.49Å; K279-E283 PolarHBondContact O-N 2.73Å; E283-V286 PolarHBondContact O-N 2.76Å; E283-Q287 VanDerWaalsContact O-CB 3.32Å; E283-Q287 WeakPolarHBondContact O-CB 3.15Å; E283-Q287 PolarHBondContact O-N 3.27Å
284F81.3Confident70.8Confident125 Ų125113 Ų11355%0.54854%0.538SS..Hα-helixtrans-63.2-41172.6-177.8-97.6000112.4D280 L281 Q287 E288D280-F284 VanDerWaalsContact O-CB 3.23Å; D280-F284 WeakPolarHBondContact O-CB 3.13Å; D280-F284 PolarHBondContact O-N 2.85Å; L281-F284 PolarHBondContact O-N 3.07Å; F284-Q287 PolarHBondContact O-N 3.26Å; F284-E288 HydrophobicContact CE1-CG 4.22Å; F284-E288 HydrophobicContact CZ-CG 4.29Å; F284-E288 WeakPolarHBondContact O-CB 3.37Å; F284-E288 PolarHBondContact O-N 3.44Å
285E83.7Confident70.5Confident106 Ų106119.1 Ų119.150%0.49555%0.55SS..Hα-helixtrans-65.9-40.6175.2-158.2-160.3131.300111.7L281 M282 E288 R289L281-E285 PolarHBondContact O-N 3.06Å; M282-E285 PolarHBondContact O-N 2.88Å; E285-E288 PolarHBondContact O-N 2.83Å; E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 2.77Å; E285-R289 IonicContact OE1-CZ 3.25Å; E285-R289 IonicContact OE1-NE 3.99Å; E285-R289 IonicContact OE1-NH2 3.42Å; E285-R289 PolarHBondContact OE1-NH2 3.2Å
286V72.9Confident69.1Low73 Ų73121.5 Ų121.544%0.44256%0.557SS.*Hα-helixtrans-63.3-41.4174.4168.10000110.9M282 E283 R289 Q290M282-V286 WeakPolarHBondContact O-CB 3.42Å; M282-V286 VanDerWaalsContact O-CG2 3.31Å; M282-V286 WeakPolarHBondContact O-CG2 3.44Å; M282-V286 PolarHBondContact O-N 3.39Å; E283-V286 PolarHBondContact O-N 2.76Å; V286-R289 CarbonylContact O-C 3.58Å; V286-R289 WeakPolarHBondContact O-CB 3.31Å; V286-R289 PolarHBondContact O-N 2.96Å; V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 3.03Å
287Q74.8Confident67.8Low122 Ų122118.7 Ų118.757%0.5757%0.57SS**Hα-helixtrans-69.3-39.1177.6-168.1178.786.600112.1E283 F284 R289 K291E283-Q287 VanDerWaalsContact O-CB 3.32Å; E283-Q287 WeakPolarHBondContact O-CB 3.15Å; E283-Q287 PolarHBondContact O-N 3.27Å; F284-Q287 PolarHBondContact O-N 3.26Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; Q287-K291 VanDerWaalsContact O-CB 3.29Å; Q287-K291 WeakPolarHBondContact O-CB 3.48Å; Q287-K291 PolarHBondContact O-N 3.35Å
288E73.5Confident66.1Low57 Ų57120.5 Ų120.527%0.26659%0.592SS.*Hα-helixtrans-60.9-42.5167.5-106.3-71123.200111.2F284 E285 K291 R292F284-E288 HydrophobicContact CE1-CG 4.22Å; F284-E288 HydrophobicContact CZ-CG 4.29Å; F284-E288 WeakPolarHBondContact O-CB 3.37Å; F284-E288 PolarHBondContact O-N 3.44Å; E285-E288 PolarHBondContact O-N 2.83Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact OE1-CE 3.31Å; E288-K291 IonicContact OE1-NZ 3.12Å; E288-K291 PolarHBondContact OE1-NZ 3.26Å; E288-R292 VanDerWaalsContact O-CB 3.28Å; E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.2Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 WeakPolarHBondContact OE2-CD 3.44Å
289R72.1Confident64.5Low149 Ų149128.1 Ų128.156%0.56262%0.618SS**Hα-helixtrans-66.1-40.3-179.6-168.5176.5-70.1-130.75.1111.8E285 V286 Q287 R292 Q293E285-R289 WeakPolarHBondContact O-CB 3.49Å; E285-R289 PolarHBondContact O-N 2.77Å; E285-R289 IonicContact OE1-CZ 3.25Å; E285-R289 IonicContact OE1-NE 3.99Å; E285-R289 IonicContact OE1-NH2 3.42Å; E285-R289 PolarHBondContact OE1-NH2 3.2Å; V286-R289 CarbonylContact O-C 3.58Å; V286-R289 WeakPolarHBondContact O-CB 3.31Å; V286-R289 PolarHBondContact O-N 2.96Å; Q287-R289 VanDerWaalsContact C-N 3.34Å; R289-R292 PolarHBondContact O-N 3.32Å; R289-Q293 WeakPolarHBondContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CG 2.95Å; R289-Q293 PolarHBondContact O-N 2.65Å
290Q66Low62.3Low113 Ų113125 Ų12553%0.52863%0.626SS.*Hα-helixtrans-64-48.3170.1-73.2-178.66.400111.6V286 R292 Q293 N294V286-Q290 WeakPolarHBondContact O-CG 3.43Å; V286-Q290 PolarHBondContact O-N 3.03Å; Q290-R292 PolarHBondContact O-N 3.43Å; Q290-Q293 WeakPolarHBondContact O-CB 3.14Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q290-N294 PolarHBondContact O-N 3.45Å
291K65.3Low60Low132 Ų132133.4 Ų133.457%0.57465%0.651SS**Hα-helixtrans-62.5-27178.3-164.4-177.372.7-157.40112.7Q287 E288Q287-K291 VanDerWaalsContact O-CB 3.29Å; Q287-K291 WeakPolarHBondContact O-CB 3.48Å; Q287-K291 PolarHBondContact O-N 3.35Å; E288-K291 PolarHBondContact O-N 2.91Å; E288-K291 WeakPolarHBondContact OE1-CE 3.31Å; E288-K291 IonicContact OE1-NZ 3.12Å; E288-K291 PolarHBondContact OE1-NZ 3.26Å
292R62.7Low57.6Low177 Ų177132 Ų13267%0.66866%0.661SS**Hα-helixtrans-84.7-30.5172.9-71.6174.265.7-176.93.4113.3E288 R289 Q290 N294 R295E288-R292 VanDerWaalsContact O-CB 3.28Å; E288-R292 WeakPolarHBondContact O-CB 3.37Å; E288-R292 WeakPolarHBondContact O-CG 3.2Å; E288-R292 PolarHBondContact O-N 3.4Å; E288-R292 WeakPolarHBondContact OE2-CD 3.44Å; R289-R292 PolarHBondContact O-N 3.32Å; Q290-R292 PolarHBondContact O-N 3.43Å; R292-N294 VanDerWaalsContact C-N 3.3Å; R292-R295 CarbonylContact O-C 3.5Å; R292-R295 PolarHBondContact O-N 3.07Å; R292-R295 VanDerWaalsContact O-N 3.08Å
293Q54.6Low55.7Low143 Ų143131.2 Ų131.267%0.66868%0.675SS**Hα-helixtrans-62-39.5169.3-81.9174-28.900111.2R289 Q290 R295R289-Q293 WeakPolarHBondContact O-CB 3.3Å; R289-Q293 WeakPolarHBondContact O-CG 2.95Å; R289-Q293 PolarHBondContact O-N 2.65Å; Q290-Q293 WeakPolarHBondContact O-CB 3.14Å; Q290-Q293 PolarHBondContact O-N 3.13Å; Q290-Q293 VanDerWaalsContact O-N 3.08Å; Q293-R295 PolarHBondContact O-N 2.95Å; Q293-R295 VanDerWaalsContact O-N 3.1Å
294N49.9Very low53.3Low144 Ų144129.1 Ų129.177%0.7769%0.685SS**THydrogen-bonded Turntrans-72.36.7172.8-73.3-6.7000114.5Q290 R292Q290-N294 PolarHBondContact O-N 3.45Å; R292-N294 VanDerWaalsContact C-N 3.3Å
295R52.9Low51Low203 Ų203132.6 Ų132.677%0.76671%0.705SS**SBendtrans-136.474.3171.3-77.6-167.9173-175.8-2.1112.6R292 Q293R292-R295 CarbonylContact O-C 3.5Å; R292-R295 PolarHBondContact O-N 3.07Å; R292-R295 VanDerWaalsContact O-N 3.08Å; Q293-R295 PolarHBondContact O-N 2.95Å; Q293-R295 VanDerWaalsContact O-N 3.1Å
296Q37.9Very low48.6Very low166 Ų166131.3 Ų131.378%0.77672%0.72SS**  trans59.5115.8161.6-81.268.428.300117.5G298Q296-G298 PolarHBondContact O-N 3.49Å
297G35.9Very low46.9Very low88 Ų88132 Ų13291%0.90774%0.742SS**  trans-66.3124.3157.100000111.2
298G33.4Very low44.9Very low71 Ų71130.1 Ų130.173%0.73276%0.756SS**  trans-136.516-168.900000117.3Q296Q296-G298 PolarHBondContact O-N 3.49Å
299R35.1Very low43.1Very low255 Ų255130.8 Ų130.896%0.96278%0.778SS**  trans52.992.5171-56.3-179.4-174.1-101.61.2116.8
300G32.7Very low41.4Very low75 Ų75135 Ų13577%0.77379%0.794SS**  trans-130.9-4.9-173.500000120.4
301R35.9Very low40Very low258 Ų258133.4 Ų133.497%0.97481%0.807SS**  trans63.7160.3-171.4-54.9-178.2178-128.4-1.8115
302G32.3Very low38.7Very low69 Ų69130 Ų13071%0.71181%0.809SS**  trans-129.3-176.3169.400000111.3
303A34.2Very low37.4Very low113 Ų113126.2 Ų126.293%0.93480%0.795SS**  trans59.4114.4174.600000117.4
304G33Very low36.4Very low73 Ų73122.3 Ų122.375%0.75379%0.794SS**  trans149.788.615900000117.5
305M31.8Very low35.9Very low198 Ų198125.7 Ų125.798%0.97580%0.796SS**  trans59.8147.8147-68.8-66.2178.100122
306G34.4Very low34.9Very low78 Ų78119.6 Ų119.680%0.80480%0.796SS**  trans10195.8149.800000116.3
307G36.3Very low34.5Very low89 Ų89114.8 Ų114.892%0.91879%0.791SS**  trans-82.2143168.400000112.9
308G33.7Very low34Very low82 Ų82120.3 Ų120.385%0.84579%0.79SS**  trans-177.1133.6173.900000110.3
309G35.4Very low33.9Very low71 Ų71123.1 Ų123.173%0.73280%0.798SS**  trans-116-175.5-174.100000114.4
310R35.7Very low33.7Very low237 Ų237114.4 Ų114.489%0.89479%0.788SS**  trans74128.3-165.6-47.1176.9-175.8-144.9-2.3109.6
311G36.8Very low33.5Very low79 Ų79121.9 Ų121.981%0.81480%0.8SS**  87.711754.400000107.7
312G37.9Very low33.1Very low60 Ų60113.5 Ų113.562%0.61979%0.794SS**  cis99.890.911.800000111.7
313R34.9Very low33.4Very low98 Ų98118.6 Ų118.637%0.3780%0.802SS.*  trans-176.1153161.4-76.5-135175.3-30.58.4110.6I823R313-I823 WeakPolarHBondContact CD-O 3.18Å; R313-I823 PolarHBondContact NE-O 2.7Å
314G34.7Very low33.2Very low62 Ų62117.9 Ų117.964%0.63980%0.795SS**  trans83.9112178.300000112.8
315R38.1Very low33.3Very low215 Ų215120.7 Ų120.781%0.81179%0.793SS**  cis69.8111.617.9-148.3-171.2-150.6-109.26.7114.1
316G32Very low33.4Very low74 Ų74119 Ų11976%0.76378%0.781SS**  trans168.395.5172.300000114.4
317G30.1Very low33.3Very low65 Ų65124.9 Ų124.967%0.6778%0.779SS**  trans-72.4176.2143.400000109.4
318F26.3Very low32.9Very low204 Ų204124.5 Ų124.590%0.89577%0.774SS**  cis-149.7163.116.4-76.8-98.7000111.4
319S31Very low32.7Very low130 Ų130124 Ų12491%0.90977%0.77SS**  trans-160.4133.5149.4-78.60000108.4
320G30.4Very low32.6Very low73 Ų73128.6 Ų128.675%0.75377%0.772SS**  cis-178.3-165.2-2.600000111.5
321F28.2Very low32.7Very low231 Ų231129.1 Ų129.1100%1.01377%0.774SS**  trans-76.2140.9170.3-79.5-103.8000111.3
322G28.3Very low32.5Very low83 Ų83135.9 Ų135.986%0.85678%0.775SS**  trans174.7113.7169.200000113.4
323M38.4Very low32.8Very low176 Ų176141.4 Ų141.487%0.86778%0.782SS**  trans-110.6142.9-175.3-173.869.579.200111.7
324A30.3Very low32.9Very low97 Ų97144.3 Ų144.380%0.80280%0.802SS**  trans-162119.316000000112.9
325D33.9Very low32.7Very low133 Ų133149.5 Ų149.571%0.71181%0.809SS**  trans-75.4161166.4-49-95.3000112.5
326F34.1Very low32.5Very low163 Ų163144.9 Ų144.972%0.71580%0.8SS**  173.4131.6123.8-97.5-57.7000114.5
327R32Very low32.5Very low201 Ų201149.1 Ų149.176%0.75880%0.8SS**  trans58.2133.5152.7-73.2170.4-83.4-111-2.5117.1
328G29.4Very low32.6Very low80 Ų80151.4 Ų151.483%0.82580%0.801SS**  cis87.4129.221.500000111.5
329G29.7Very low32.7Very low73 Ų73149.5 Ų149.575%0.75380%0.8SS**  cis166-176.3-1.600000110.7
330Q33.3Very low33.5Very low166 Ų166148.4 Ų148.478%0.77679%0.79SS**  trans61.6117.4168-74.2-78.2-22.300119.7
331R36.9Very low33.6Very low249 Ų249151.4 Ų151.494%0.9479%0.787SS**  -171.3162.8121.1-99.5153.1-165.2-96.1-0.3112.3
332R33.4Very low33.9Very low220 Ų220148.7 Ų148.783%0.8378%0.78SS**  trans-122.3154.6-172.5-45.1175.9-174.3-164.10.7111.8
333K44.2Very low34Very low176 Ų176147.7 Ų147.777%0.76577%0.769SS**  155.1120.9114.6-92.4-168.5168.4-168.70116.6
334M36.4Very low33.7Very low159 Ų159146.2 Ų146.278%0.78377%0.765SS**  26.3136.6129.6-43.2175.1-2900122.3
335H30.4Very low33.9Very low171 Ų171149.3 Ų149.379%0.79277%0.765SS**  -159.7-179.9116-156.511.8000111.6
336D33.7Very low33.7Very low118 Ų118148.9 Ų148.963%0.63177%0.771SS**  trans-115.2167.9-157.2-52.4-109.6000114.7
337Q32.1Very low33.9Very low164 Ų164146 Ų14677%0.76676%0.762SS**  172.6138110.8-92.3-179.7117.600118.8
338T31.3Very low34Very low112 Ų112145.3 Ų145.369%0.68777%0.768SS**  trans68.5103.9143.855.50000125.1
339L29.8Very low35.1Very low164 Ų164146.1 Ų146.186%0.85976%0.758SS**  42.2157.4113-66.1169.7000122.7
340P48Very low35.5Very low108 Ų108146.5 Ų146.570%0.70175%0.75SS**  cis-124.6-163.2-15.633.3-9.8000111.6
341L31.2Very low35.5Very low135 Ų135142.6 Ų142.671%0.70774%0.74SS**  cis-172.6134.733.6-17767.1000114.1
342M34.7Very low35.2Very low175 Ų175137.6 Ų137.686%0.86272%0.721SS**  trans55.1140.9159.1-68172.3-179.300121.1
343G31.4Very low35.1Very low61 Ų61134.4 Ų134.463%0.62972%0.718SS**  cis159.7159.8-11.500000115.8
344N32Very low34.7Very low146 Ų146131.8 Ų131.878%0.78172%0.719SS**  trans76.7148.5164.1-51.6-32.9000119.1
345M34.9Very low34.3Very low161 Ų161129 Ų12979%0.79372%0.715SS**  cis-179.5136.6-36.7-123.8-163.8-65.400109.9
346C28.3Very low35.2Very low125 Ų125126.2 Ų126.285%0.84571%0.712SS**  172.1148.4128.8-156.60000111.5
347I38.3Very low35.1Very low102 Ų102127.5 Ų127.552%0.52371%0.714SS.*  trans-149.5144.7-161.5-65.5159.8000110.5L63L63-I347 HydrophobicContact CD1-CB 4.43Å; L63-I347 HydrophobicContact CD1-CD1 3.99Å; L63-I347 HydrophobicContact CD1-CG1 3.92Å; L63-I347 HydrophobicContact CD1-CG2 3.61Å; L63-I347 HydrophobicContact CD2-CD1 4.28Å; L63-I347 HydrophobicContact CD2-CG2 4.48Å
348Q33.8Very low34.9Very low187 Ų187127.4 Ų127.487%0.87471%0.713SS**  175.7156.2125.7-95.3-169.159.200115.9
349P54.2Low34.8Very low96 Ų96128.4 Ų128.462%0.62371%0.71SS**  trans-137.4-155.1-163.336.7-11.5000115.5
350S36.7Very low34.9Very low82 Ų82127.8 Ų127.857%0.57370%0.703SS**  trans113.1128.2141.6-66.80000123
351S34.5Very low33.9Very low83 Ų83128.5 Ų128.558%0.5870%0.7SS**  trans69.1152.3139.3-55.90000120.7
352R31Very low33.8Very low144 Ų144129.8 Ų129.854%0.54370%0.703SS.*  cis-155.21718-148.2173.6167.6-175.5-7112.8D67 D68D67-R352 VanDerWaalsContact C-NH2 3.32Å; D67-R352 VanDerWaalsContact O-CZ 3.26Å; D67-R352 PolarHBondContact O-NE 3.27Å; D67-R352 PolarHBondContact O-NH2 2.82Å; D67-R352 IonicContact OD1-CZ 2.8Å; D67-R352 IonicContact OD1-NE 3.18Å; D67-R352 IonicContact OD1-NH1 3.24Å; D67-R352 PolarHBondContact OD1-NH1 3.38Å; D67-R352 IonicContact OD1-NH2 2.66Å; D67-R352 PolarHBondContact OD1-NH2 3.07Å; D67-R352 IonicContact OD2-CZ 2.97Å; D67-R352 VanDerWaalsContact OD2-CZ 3.25Å; D67-R352 IonicContact OD2-NE 3.23Å; D67-R352 IonicContact OD2-NH1 3.01Å; D67-R352 PolarHBondContact OD2-NH1 3.38Å; D67-R352 IonicContact OD2-NH2 2.95Å; D68-R352 PolarHBondContact O-NH2 2.86Å
353M30Very low34.1Very low154 Ų154126 Ų12676%0.75969%0.693SS**  trans-88-172.8168.9-94.5-77.8-82.200111.1
354P35.6Very low34Very low121 Ų121131.2 Ų131.279%0.78670%0.701SS**  cis-147.2-157.425.345.3-21.9000118.4
355S28.6Very low34.3Very low100 Ų100130.7 Ų130.770%0.69969%0.694SS**  trans-91.6-157.9-177.5-136.10000111.4
356P49.1Very low34.4Very low113 Ų113129 Ų12973%0.73468%0.684SS**  cis-141.4167.67.943.5-23.5000119.8
357H31.6Very low35.1Very low144 Ų144130.5 Ų130.567%0.66768%0.678SS**  trans39.5133.8136-156.689.2000123.7
358Q28.3Very low35.9Very low162 Ų162130.9 Ų130.976%0.75769%0.687SS**  trans-173169.5130.9-100.7-668.200113.4
359Q29.8Very low36.2Very low133 Ų133127 Ų12762%0.62168%0.68SS**  trans-102.3174.1-153.9-59.2166.424.900118.3
360H30Very low35.5Very low152 Ų152133.5 Ų133.570%0.70469%0.692SS**  trans100.3130.1133.1-123.573.4000122.9
361L28.2Very low36.3Very low122 Ų122134.5 Ų134.564%0.63970%0.697SS**  trans31.6128.3154.4-94.756.2000125.9
362Q29.4Very low36.5Very low163 Ų163142.8 Ų142.876%0.76272%0.715SS**  3999.5121.8-60.8-177.314.500120.9
363S41Very low36.3Very low94 Ų94139.2 Ų139.266%0.65772%0.723SS**  trans35.5124.6133.259.60000122.1
364H28.7Very low37.1Very low171 Ų171138.4 Ų138.479%0.79273%0.73SS**  -179.2131.5112.3-99.473.4000115
365Q37.2Very low37.4Very low136 Ų136140.3 Ų140.364%0.63673%0.732SS**  trans48122.3136.2-63.9-8168.600125.2
366H37.4Very low38.4Very low126 Ų126140.4 Ų140.458%0.58373%0.73SS**  94.4128.4123.8-79.3-2.8000126.2
367H43.7Very low37.6Very low155 Ų155143.3 Ų143.372%0.71873%0.732SS**  trans83.7160.6140.6-63.5-11.1000121.5
368P55.3Low37.6Very low111 Ų111142.8 Ų142.872%0.72173%0.73SS**  cis-143.5162.2-21.933.9-12.2000120.2
369S38.9Very low37.6Very low104 Ų104141.5 Ų141.573%0.72772%0.724SS**  trans83.2124.2133.566.40000128.8
370R39.7Very low37.9Very low234 Ų234141.1 Ų141.188%0.88372%0.722SS**  trans78.2164.6132.8-86.7-176.2177.8-130.1-0.8123
371P55.3Low37.9Very low103 Ų103136.9 Ų136.967%0.66972%0.719SS**  cis-141.2162-17.536.5-17.2000119.3
372R37.6Very low38.1Very low257 Ų257141 Ų14197%0.9773%0.726SS**  trans46.8156.2152.4-77.1-178.1166179.3-5.3121.2
373G26.4Very low38.8Very low69 Ų69138.4 Ų138.471%0.71172%0.723SS**  cis153.1175.82.300000109.5
374P48.3Very low38.2Very low137 Ų137141.2 Ų141.289%0.8973%0.73SS**  cis-129.4-151.3-5.844.7-26000114.2
375L40.1Very low38.6Very low161 Ų161138.1 Ų138.184%0.84372%0.724SS**  trans-104.7176.8-165.5-92.4171.1000113.1
376P50.2Low38.1Very low101 Ų101139.2 Ų139.266%0.65673%0.729SS**  cis-138.4-160.73345.7-25.1000114.7
377F32.3Very low37.5Very low175 Ų175141 Ų14177%0.76874%0.738SS**  cis-159.6161.27.4-128.3179.2000107.7
378Q31Very low36.8Very low132 Ų132137.6 Ų137.662%0.61774%0.737SS**  cis-145.4-109.4-13.1-163.6-175.1-15.600111.7
379E29.8Very low35.4Very low135 Ų135140.7 Ų140.763%0.63175%0.747SS**  trans-157.6-172.5-160-60.1163.8-88.900108.6
380H34.5Very low35Very low125 Ų125144.4 Ų144.458%0.57975%0.752SS**  cis-158.3153.7-2.5-139.1108.1000106.6R382H380-R382 WeakPolarHBondContact NE2-CD 3.19Å; H380-R382 WeakPolarHBondContact NE2-CG 3.41Å; H380-R382 PolarHBondContact NE2-NE 3.05Å
381G30.2Very low35.9Very low63 Ų63138.2 Ų138.265%0.64974%0.743SS**  cis144.1165.4-1400000114.3
382R33.7Very low34.7Very low209 Ų209141 Ų14179%0.78975%0.751SS**  trans71.1179161.8-58.2-171.1-176.8-96.2-1116.9H380H380-R382 WeakPolarHBondContact NE2-CD 3.19Å; H380-R382 WeakPolarHBondContact NE2-CG 3.41Å; H380-R382 PolarHBondContact NE2-NE 3.05Å
383P44.2Very low34.6Very low108 Ų108132.9 Ų132.970%0.70173%0.726SS**  -134-146.3-74.642-24.2000112.3
384I27.5Very low36Very low154 Ų154134.3 Ų134.379%0.7972%0.723SS**  trans104.6141.4163.7-58-179.5000115.9
385P37.8Very low35.4Very low105 Ų105131.8 Ų131.868%0.68271%0.708SS**  trans-108.1-167.9175.640.7-30.6000113.4
386Q27Very low35.3Very low159 Ų159131.4 Ų131.474%0.74370%0.702SS**  trans86.7151.4171.9-51.5-16817.600118.8
387Q24.2Very low35.1Very low163 Ų163133.9 Ų133.976%0.76271%0.709SS**  trans51.8118.4144.9-73.6-173.483.100122.6
388A28.7Very low35.4Very low84 Ų84129.8 Ų129.869%0.69471%0.708SS**  75.8156.2124.400000122.4
389L27Very low35.8Very low177 Ų177130.8 Ų130.893%0.92771%0.712SS**  trans77.5152164.4-61.8168.5000119.7
390Q30.6Very low35.8Very low182 Ų182134.7 Ų134.785%0.8572%0.721SS**  trans-92.5-164171.3-52-178.5-3.500108.4
391P58.6Low35.7Very low104 Ų104134.1 Ų134.168%0.67573%0.731SS**  cis-142.8-156.1-0.241-18000114.9
392L30.1Very low37.3Very low162 Ų162136.8 Ų136.885%0.84874%0.737SS**  trans111.9124.6142.3-133.476.2000120.3
393L35.2Very low38.2Very low85 Ų85132.3 Ų132.345%0.44574%0.735SS.*  trans-77.1-172.3171.4-69.3150000112.7L686L393-L686 HydrophobicContact CD1-CB 3.74Å; L393-L686 HydrophobicContact CD1-CD1 4Å; L393-L686 HydrophobicContact CD2-CB 3.73Å; L393-L686 HydrophobicContact CG-CB 4.37Å
394P55Low37.8Very low100 Ų100135.7 Ų135.765%0.64975%0.746SS**  cis-132-109.5-39.334.2-13.3000111.4
395S35.6Very low38.2Very low83 Ų83139.5 Ų139.558%0.5875%0.751SS**  trans95.1143.4160.5-57.90000119.4
396H38.3Very low38.8Very low153 Ų153139.8 Ų139.871%0.70875%0.753SS**  cis-163147.9-8.8-97.3-18.4000109.9
397L45.8Very low38.9Very low154 Ų154140.1 Ų140.181%0.80675%0.754SS**  55.2145.893-52.6179.1000116.7
398A38.9Very low39.2Very low89 Ų89138.6 Ų138.674%0.73675%0.75SS**  cis-154.9-141.3-10.300000109.2
399H38.7Very low39.3Very low153 Ų153141.3 Ų141.371%0.70875%0.749SS**  cis-171.7160.56.8-164.746.2000113
400R30Very low39.5Very low216 Ų216140.4 Ų140.482%0.81574%0.74SS**  trans79.1169.7158.6-88170.3-167.8-109.8-1.7123.9
401S32.3Very low40.2Very low114 Ų114136.8 Ų136.880%0.79773%0.732SS**  -146.6-176.5-129.8-44.60000115.8
402P63.2Low39.6Very low119 Ų119137.1 Ų137.177%0.77373%0.734SS**  trans-109.6-169.1-147.346.1-42.1000117.7
403P52.7Low40.7Very low114 Ų114134.7 Ų134.774%0.7473%0.728SS**  -157.9178.498.344.9-26.4000119.8
404L35.9Very low41.2Very low179 Ų179141 Ų14194%0.93775%0.746SS**  trans77166.5159.4-66.3179.7000123.1
405R35.9Very low40.1Very low235 Ų235142.7 Ų142.789%0.88775%0.747SS**  trans-151.9156.6-165.8-146.7-168.21801780.4109.9
406P51.8Low40Very low111 Ų111146.5 Ų146.572%0.72176%0.758SS**  -156.1173.287.541.9-22.9000117.5
407Q28Very low39.5Very low166 Ų166144.4 Ų144.478%0.77676%0.76SS**  trans53.5163.2163.7-84178.9-35.900119.1
408L30.8Very low39Very low130 Ų130141.8 Ų141.868%0.68176%0.755SS**  cis-134.8121.12.7-162.861.8000106.1
409E31.7Very low39.6Very low142 Ų142143.2 Ų143.266%0.66476%0.756SS**  60.6128.294.6-148.9173.1161.800114.5
410Q29.8Very low40.3Very low158 Ų158141.2 Ų141.274%0.73876%0.757SS**  cis-142.4-177.37.1-127.4-172.668.900110.1
411P45.3Very low40.9Very low105 Ų105137 Ų13768%0.68276%0.757SS**  -134-107.5-12927.24.2000116.7
412P47.2Very low40.7Very low111 Ų111135.9 Ų135.972%0.72175%0.75SS**  -129.9-144.8-12249.2-27.7000112.8
413P52.9Low39.4Very low112 Ų112139.9 Ų139.973%0.72776%0.755SS**  -134.1-179.5-121.537.6-13.6000116.8
414R46.4Very low39.3Very low217 Ų217139.8 Ų139.882%0.81976%0.755SS**  trans-11.9128142.7175.3-150.6-69165.3-4.8115.8
415M30Very low38.9Very low135 Ų135139.2 Ų139.267%0.66575%0.747SS**  trans-162.3135.2136.8-94.8-6189.600111.2
416M33.5Very low38.5Very low164 Ų164135.5 Ų135.581%0.80874%0.74SS**  trans43.8156.2149.5-49.6-52.4-178.500120.6
417S28.7Very low37.6Very low108 Ų108138.3 Ų138.376%0.75574%0.743SS**  cis-151.6176.917.362.80000113.1
418S35.3Very low37.8Very low100 Ų100138.5 Ų138.570%0.69974%0.744SS**  trans-66.8-178.1158.651.20000112.2
419P50.9Low37.8Very low119 Ų119140.2 Ų140.277%0.77375%0.748SS**  cis-123.2-108.52.521.44.7000118.6
420P54.5Low37.8Very low110 Ų110141.8 Ų141.871%0.71476%0.755SS**  -109-171-119.842.1-27.3000113.8
421P42.7Very low38.1Very low127 Ų127140.2 Ų140.283%0.82576%0.759SS**  cis-145.6-125.122.246.1-22.7000118.3
422S27.5Very low37.5Very low92 Ų92140 Ų14064%0.64377%0.766SS**  trans-90.8143.2-159.448.50000117.9
423F35.6Very low36.9Very low203 Ų203142.8 Ų142.889%0.8977%0.769SS**  trans31.6157.5137.7-69.7-66.5000123
424P50Low36.2Very low111 Ų111142.8 Ų142.872%0.72177%0.769SS**  cis-135.7-167.2-4.536-14.3000115.4
425Q27.5Very low36.1Very low168 Ų168141.6 Ų141.679%0.78577%0.77SS**  trans123.7103.6133-155.9-179.89.100120
426H28.6Very low37.1Very low157 Ų157143.1 Ų143.173%0.72778%0.781SS**  trans58.7156.3146.2-76.4-118.3000123.9
427H32.9Very low37.9Very low170 Ų170142.3 Ų142.379%0.78778%0.778SS**  trans79146.2174.3-49.798.4000115.2
428Q31.3Very low38.8Very low170 Ų170145.5 Ų145.579%0.79478%0.781SS**  cis-141.7169.1-0.8-144.9-176.9103.500111.9
429Q31.5Very low39.6Very low165 Ų165147.5 Ų147.577%0.77178%0.782SS**  trans-62.9142.5164.2-58.8161.6-300110.5
430Q31.6Very low39Very low175 Ų175147.4 Ų147.482%0.81878%0.775SS**  -176.9155.5107.1-96.9-161.5900111.5
431P36.2Very low39.2Very low126 Ų126147.3 Ų147.382%0.81878%0.775SS**  trans-83.6139.2-17833.4-33.7000112.5
432A33.3Very low39.4Very low99 Ų99148.9 Ų148.982%0.81877%0.771SS**  trans-121.6137.4163.100000109.4
433Q34.2Very low40.2Very low170 Ų170154.5 Ų154.579%0.79478%0.784SS**PPolyproline II helixtrans-56.8147.7-173.8-69.1-69.5-5.700113K435Q433-K435 PolarHBondContact O-N 3.45Å
434P39.1Very low40.6Very low112 Ų112156.5 Ų156.573%0.72779%0.786SS**PPolyproline II helixtrans-66122.3-17227.1-34.2000111.5
435K42.5Very low40.1Very low192 Ų192154.7 Ų154.784%0.83579%0.788SS**PPolyproline II helixtrans-92.9124.5168.2-69.6-178.4179.51770108.8Q433 I437Q433-K435 PolarHBondContact O-N 3.45Å; K435-I437 PolarHBondContact O-N 2.81Å; K435-I437 VanDerWaalsContact O-N 3.07Å
436N51.8Low40.9Very low167 Ų167152.8 Ų152.889%0.89379%0.79SS**  trans-54.7110.3-176.1-63.4-35.6000112
437I51.2Low41.2Very low147 Ų147150.4 Ų150.475%0.75480%0.797SS**  trans-115.5108.2166.6-60.7-177.7000108.2K435 I439K435-I437 PolarHBondContact O-N 2.81Å; K435-I437 VanDerWaalsContact O-N 3.07Å; I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.05Å; I437-I439 PolarHBondContact O-N 2.81Å
438H47.5Very low41.4Very low176 Ų176151.7 Ų151.782%0.81580%0.804SS**  trans-81.5107.1-180179.6-150.8000109.4
439I50.5Low41.3Very low141 Ų141149.7 Ų149.772%0.72381%0.808SS**  trans-109.1118174.4-56.9-177.1000108.8I437I437-I439 HydrophobicContact CG2-CD1 4.44Å; I437-I439 HydrophobicContact CG2-CG1 4.05Å; I437-I439 PolarHBondContact O-N 2.81Å
440N38.3Very low41.5Very low117 Ų117147.5 Ų147.563%0.62681%0.811SS**  trans-82.3131.1-179.7-154.420.3000109.9H442N440-H442 PolarHBondContact O-N 3.38Å; N440-H442 VanDerWaalsContact O-N 3.12Å
441P60.4Low41.8Very low109 Ų109145 Ų14571%0.70881%0.807SS**  trans-88.487.5-160.833.7-35.7000113.7
442H46.8Very low41.7Very low159 Ų159147.5 Ų147.574%0.73681%0.808SS**  trans-132.386.2174.6-69.8-22.6000113.5N440N440-H442 PolarHBondContact O-N 3.38Å; N440-H442 VanDerWaalsContact O-N 3.12Å
443F43Very low41.8Very low210 Ų210151.1 Ų151.192%0.92181%0.81SS**  trans-158.6124.8137.5-126.5-84.5000110.8
444R43.7Very low42.6Very low245 Ų245147.9 Ų147.993%0.92580%0.804SS**  trans-93.5128162.5-89.4-171.1173.1-1460.6108.1
445G40.4Very low42.5Very low74 Ų74150.5 Ų150.576%0.76381%0.811SS**  trans-116.3131.4162.400000109.7
446P45.2Very low42.3Very low128 Ų128149.5 Ų149.583%0.83181%0.811SS**  trans-97.5139.1175.135.4-30.6000112
447A33.8Very low42.7Very low107 Ų107146.4 Ų146.488%0.88480%0.801SS**  trans177.2155.6143.300000111.2
448Q36.3Very low42.7Very low197 Ų197145.9 Ų145.992%0.92181%0.806SS**  trans-105.9155.1170.4-57.7160-74.700109.5
449S30.2Very low42.1Very low128 Ų128141.9 Ų141.990%0.89580%0.804SS**  trans-156.7164.7148.165.30000110.7
450S35.8Very low41.3Very low118 Ų118144.1 Ų144.183%0.82581%0.812SS**  trans-120.8156.1-164.551.20000114.7
451V37.6Very low41Very low122 Ų122144.4 Ų144.474%0.73982%0.822SS**  trans-66.7141.2179.5172.30000113.4
452Q35.3Very low39.7Very low180 Ų180147.9 Ų147.984%0.84183%0.829SS**  trans-166.4165.5134.3-133.887.88500113.5
453M34.8Very low39.2Very low174 Ų174144.6 Ų144.686%0.85782%0.824SS**  trans-120.7165.5178.1-82.1-80.2-76.500111.2
454P51.6Low38.9Very low102 Ų102145.6 Ų145.666%0.66282%0.822SS**  trans-117.8156.6-163.740.4-30.9000116.8
455L35.5Very low39.6Very low167 Ų167138.6 Ų138.687%0.87481%0.808SS**  trans-163.8128.5152.3-140.369.8000116.6
456M39.6Very low39.6Very low171 Ų171139.4 Ų139.484%0.84281%0.808SS**  trans47.3155.8149.8-71-71.910300126.1
457P58.5Low39.3Very low103 Ų103140.6 Ų140.667%0.66981%0.812SS**  trans-129.5177.9-17645.5-31.1000117.1
458P52.1Low39.5Very low135 Ų135138.9 Ų138.988%0.87781%0.805SS**  trans-128.1-170.1157.138.1-23.7000114.7
459A34.6Very low40.4Very low93 Ų93136.3 Ų136.377%0.76981%0.805SS**  trans-131.5154.1-155.200000119
460Q34.7Very low41Very low188 Ų188138 Ų13888%0.87980%0.799SS**  trans45.3153.5141.2-65.9-170.70.400125.7
461S31.4Very low40.8Very low122 Ų122143.6 Ų143.685%0.85380%0.802SS**  trans101.3175.5157.480.30000120.2
462Q32.1Very low40.9Very low182 Ų182146.1 Ų146.185%0.8580%0.803SS**  trans-158.8170.1-136.2-85-154107.100114.3
463S37.7Very low41.6Very low90 Ų90143.7 Ų143.763%0.62980%0.803SS**  cis-177.4-170.7-17.764.40000111.6
464R35.5Very low41.3Very low231 Ų231138.2 Ų138.287%0.87279%0.791SS**  trans83.3163.5160.7-93.5-157.2162.7-116.3-1.5119.6
465P60Low40.6Very low99 Ų99142.3 Ų142.364%0.64381%0.807SS**  trans-143.9175.3-131.645.3-25.9000121.1
466A38.7Very low40.5Very low91 Ų91137.8 Ų137.875%0.75280%0.8SS**  trans69.5172.7152.400000118.9
467V39.5Very low40Very low153 Ų153135.6 Ų135.693%0.92779%0.792SS**  cis-152165.313.2-146.20000112
468G37.9Very low38.8Very low70 Ų70138.5 Ų138.572%0.72279%0.794SS**  trans178.9152.6164.600000116
469P56.3Low37.8Very low143 Ų143138.4 Ų138.493%0.92978%0.782SS**  trans-121.3-173.8-158.642.9-30.3000118.8
470Q41.2Very low37.7Very low163 Ų163140.8 Ų140.876%0.76278%0.777SS**  trans-123165.8-157.8-162.2-1495200115
471R32.5Very low37.7Very low237 Ų237139.2 Ų139.289%0.89477%0.77SS**  trans-155.6151.5151.3-111.7175.7-170.2-163.11.9115.3
472F39.3Very low37.9Very low174 Ų174141.8 Ų141.876%0.76377%0.771SS**  trans-59.2179.2-175.8-71.9-84.5000118.5
473P49.3Very low38.6Very low130 Ų130139.2 Ų139.284%0.84477%0.77SS**  cis-127.9177.44.940.9-25.1000115.9
474G29.5Very low38.2Very low59 Ų59138 Ų13861%0.60877%0.772SS**  cis157.6156.7-8.300000113.4
475L36.9Very low38.4Very low188 Ų188134.3 Ų134.398%0.98477%0.769SS**  trans62.2144.6175.2-63.5154.2000116
476G32.3Very low37Very low72 Ų72139.6 Ų139.674%0.74278%0.782SS**  cis165.2-174.20.300000107.4
477D30.5Very low36.9Very low125 Ų125138.4 Ų138.467%0.66878%0.779SS**  cis-170.4147.1-33.2-156-5.2000106.4
478F32.7Very low37.6Very low163 Ų163136.7 Ų136.772%0.71577%0.771SS**  trans60.2171.7-179-50.1-77.3000116.9
479Q30.5Very low38.2Very low133 Ų133139 Ų13962%0.62177%0.773SS**  cis-142.2-179.92-156.983.569.300111
480Q32.8Very low37.1Very low143 Ų143139.4 Ų139.467%0.66876%0.763SS**  trans-64.6-173.5-179.9-61.7153.323.700113.2
481H35.1Very low37.2Very low155 Ų155142.5 Ų142.572%0.71877%0.767SS**  cis-159.2161.429.4-36.4-107.4000113.8
482M35.8Very low37.5Very low177 Ų177136.7 Ų136.787%0.87276%0.76SS**  trans-85.9175.9153.9-74.5-83.1-175.500109.4
483P46.7Very low38.4Very low128 Ų128133.5 Ų133.583%0.83176%0.757SS**  cis-140.2-149.610.844.2-23.7000113.5
484G29.8Very low37.6Very low65 Ų65135.5 Ų135.567%0.6776%0.755SS**  trans126.359.5130.700000121.7F486G484-F486 PolarHBondContact O-N 3Å
485N39.5Very low37.8Very low153 Ų153140.4 Ų140.482%0.81876%0.761SS**  trans-45.9122.6165168.6107.4000115.7
486F30.9Very low37.3Very low209 Ų209137.7 Ų137.792%0.91775%0.746SS**  trans-161.6164.2162.6-87.6-68.3000114.4G484G484-F486 PolarHBondContact O-N 3Å
487G35.6Very low37.2Very low66 Ų66141.6 Ų141.668%0.6874%0.744SS**  trans-173.8-162.8171.100000109.2
488P55.4Low37.9Very low118 Ų118141 Ų14177%0.76675%0.748SS**  cis-106.9-166-27.742.7-29.4000111.5
489P49.5Very low38Very low117 Ų117140.7 Ų140.776%0.7675%0.752SS**  -163.8174.986.343-20.5000120
490Q33.9Very low37.8Very low153 Ų153144.5 Ų144.572%0.71576%0.761SS**  trans22.9167.8151.4-65.3-67.4600127
491R42.7Very low37.7Very low227 Ų227143.6 Ų143.686%0.85776%0.761SS**  trans-147.7150.1-169.4-174.7-150.8-71.3141.1-6.4115.3
492P38.5Very low37.3Very low115 Ų115143.9 Ų143.975%0.74776%0.763SS**  trans-123.1174.3165.938.4-24.6000117.6
493P57.9Low38.2Very low107 Ų107140.4 Ų140.470%0.69575%0.753SS**  trans-139.1-178.2-162.826.7-0.2000120
494H33.5Very low38.5Very low172 Ų172138.5 Ų138.580%0.79674%0.741SS**  trans114.7125.5150.2-67.2-79000124.8
495H32.6Very low38.5Very low162 Ų162143.9 Ų143.975%0.7575%0.748SS**  trans53.7154.5149.698.9-7.3000122.1
496M27.1Very low38Very low132 Ų132139.2 Ų139.265%0.6574%0.736SS**  cis-157.3-179.244.8-159.838.3161.700116.9
497E30.1Very low38.6Very low153 Ų153133.7 Ų133.772%0.71572%0.722SS**  trans-63.7-171178.3-70.4-178.886.100118.4
498P46.1Very low38.4Very low114 Ų114137.5 Ų137.574%0.7472%0.722SS**  cis-132.5-159.3-16.921.65.1000115.1
499L33.3Very low37.3Very low155 Ų155138.3 Ų138.381%0.81272%0.72SS**  trans-105.9167.3-175.1-69.464.3000115.6
500R28.2Very low36.5Very low213 Ų213144 Ų14480%0.80473%0.726SS**  114.4150.2119.4-130.1-173.7155.9142.1-0.8121.8
501N29.3Very low36.5Very low125 Ų125145 Ų14567%0.66873%0.731SS**  trans79.7153.3155.4-63.1-24.8000120.5
502Q26.8Very low37.2Very low161 Ų161139.1 Ų139.175%0.75272%0.722SS**  cis-168-153.5-37.1-102.8-8651.300110.2
503P54.1Low37Very low103 Ų103140.3 Ų140.367%0.66972%0.721SS**  -113.6-145.8-127.437.7-11.7000113.3
504P53.4Low35.9Very low89 Ų89142.9 Ų142.958%0.57872%0.722SS**  cis-140.6-156-933.4-6.7000115.9
505Q29.4Very low36.2Very low177 Ų177140.6 Ų140.683%0.82771%0.714SS**  trans103.6144.8157.2-57.5-61.1-8.500122.2
506G29.7Very low36.2Very low55 Ų55136 Ų13657%0.56771%0.71SS**  trans-108-140.4-179.400000114.3
507P43.1Very low36.5Very low93 Ų93137.3 Ų137.360%0.60471%0.714SS**  cis-150.2-168.41246.5-25.7000118.7
508Q32.4Very low36.6Very low147 Ų147134.9 Ų134.969%0.68771%0.714SS**  trans72.7135.7150.1-60.7-34.45000127.4
509D31.3Very low35.9Very low135 Ų135132.4 Ų132.472%0.72271%0.708SS**  trans55.3139144.1-52.2-24.5000121.3
510R34Very low35.6Very low237 Ų237131.2 Ų131.289%0.89470%0.703SS**  cis-156.2156.930.5-164.4179.4-173.8112.6-1.8113.2
511E33.4Very low35.8Very low173 Ų173126.2 Ų126.281%0.80870%0.701SS**  trans-82.6-164.7177.1-32.4162.8107.600113.1
512P56.2Low36Very low103 Ų103125 Ų12567%0.66970%0.702SS**  cis-118.5-148.4-28.322.51.8000109.5
513L35.4Very low36.2Very low141 Ų141126.9 Ų126.974%0.73870%0.702SS**  cis-148.1177.25.3-60.386000107.3
514F35.3Very low34.9Very low161 Ų161131.8 Ų131.871%0.70671%0.713SS**  cis-153.6128.8-22.4-119.8-146.1000106
515I38.5Very low34.3Very low124 Ų124133 Ų13364%0.63672%0.721SS**  72.5136.1101.1-65.8-174.3000114.8
516G32.5Very low34.2Very low64 Ų64127.7 Ų127.766%0.6671%0.714SS**  cis-123.2160.86.300000114.7
517E33.8Very low34.3Very low160 Ų160133.2 Ų133.275%0.74873%0.725SS**  cis77.2124.239.5-168.3179.3-165.100111.7
518C31.9Very low33.8Very low103 Ų103135.8 Ų135.870%0.69673%0.729SS**  cis-154.6-178.4-12.4-112.60000109.6D520C518-D520 PolarHBondContact SG-OD2 3.12Å
519G31.6Very low33.6Very low61 Ų61134.1 Ų134.163%0.62972%0.722SS**  cis-144.4157.16.200000112.4
520D27.4Very low33.5Very low130 Ų130137.4 Ų137.470%0.69573%0.73SS**  70.2106.578.7-66.4-38.8000111.9C518C518-D520 PolarHBondContact SG-OD2 3.12Å
521S32.9Very low33.2Very low109 Ų109131 Ų13176%0.76271%0.714SS**  cis61.8155.533.9-57.80000115.1
522S33.5Very low33.1Very low98 Ų98131.6 Ų131.669%0.68572%0.716SS**  trans75.3148.1-179.6-68.90000116.2
523R31.4Very low31.8Very low202 Ų202132.4 Ų132.476%0.76272%0.721SS**  cis-172.2119.2-11.8161.8-177.3-65.1-122.30.4112.4
524F26.1Very low31.8Very low205 Ų205128.6 Ų128.690%0.89972%0.717SS**  trans51.5-141.8146.9-77-88.1000117.4
525P41Very low31.8Very low114 Ų114126.5 Ų126.574%0.7472%0.719SS**  -124.9155.1-90.535.2-22.7000117.7
526G27.6Very low31.7Very low66 Ų66124.5 Ų124.568%0.6873%0.729SS**  trans175.1133.116100000108.9
527Q30.3Very low31.4Very low171 Ų171125.5 Ų125.580%0.79973%0.726SS**  cis6012818.4-52.4-76.3-13.600114
528H32.8Very low31Very low148 Ų148125 Ų12569%0.68573%0.727SS**  cis-167.5164.5-24.1-143.3-95.9000107.2
529M27.8Very low30.6Very low112 Ų112127.7 Ų127.755%0.55273%0.732SS**  trans59.1105.2166.7-49.9-58.7-68.900118.6D531M529-D531 VanDerWaalsContact CE-OD1 3.26Å; M529-D531 WeakPolarHBondContact CE-OD1 3.46Å; M529-D531 WeakPolarHBondContact CE-OD2 3.32Å
530F31.1Very low30.3Very low203 Ų203131.5 Ų131.589%0.8974%0.738SS**  -126.2122.6107.4-88.1-93.4000105
531D27.2Very low30.3Very low104 Ų104130 Ų13056%0.55674%0.738SS**  63.460.757-70-40.7000114.5M529M529-D531 VanDerWaalsContact CE-OD1 3.26Å; M529-D531 WeakPolarHBondContact CE-OD1 3.46Å; M529-D531 WeakPolarHBondContact CE-OD2 3.32Å
532H31Very low30.2Very low185 Ų185127.9 Ų127.986%0.85673%0.732SS**  trans-124.5148.2137.8-75.3-40.3000109.9
533P29.7Very low30.2Very low119 Ų119130.3 Ų130.377%0.77374%0.738SS**  trans-95.9172.5-139.737.1-39000114.5
534G34.2Very low30.3Very low62 Ų62127.3 Ų127.364%0.63974%0.737SS**  trans-60.4168.6152.900000111.6
535P36Very low30.8Very low116 Ų116123.7 Ų123.775%0.75373%0.726SS**  -130.81456136.8-25.9000115.1S537P535-S537 PolarHBondContact O-N 3.27Å
536G36.1Very low30.6Very low82 Ų82125.2 Ų125.285%0.84572%0.723SS**  trans-77.6105149.200000109
537S25.6Very low31.2Very low85 Ų85128.7 Ų128.759%0.59472%0.721SS**  trans-160115.3171.9-82.30000108.6P535P535-S537 PolarHBondContact O-N 3.27Å
538L26Very low31.5Very low149 Ų149126.7 Ų126.778%0.7871%0.712SS**  80.5128.198.3-71.9169000114.4
539M24.2Very low31.8Very low160 Ų160125.9 Ų125.979%0.78871%0.709SS**  trans67.299.9159.9-61-61.4152.700120.1
540N24.3Very low32.5Very low141 Ų141127 Ų12775%0.75471%0.712SS**  36.6139.4105.3-167.631.9000120.6
541S27.1Very low33.3Very low100 Ų100125.1 Ų125.170%0.69971%0.706SS**  trans81.6148170.8-27.30000116.2
542G31.1Very low34.3Very low63 Ų63128.2 Ų128.265%0.64972%0.722SS**  cis147.3178.2-7.100000114.3
543N34.2Very low34.5Very low149 Ų149125.2 Ų125.280%0.79772%0.719SS**  trans76.2160.1167.2-48.8-30.3000116.2
544N32.9Very low34.4Very low139 Ų139123.1 Ų123.174%0.74372%0.719SS**  cis-147.7170.727.4-78.9-81.3000110.8
545L35.5Very low34.6Very low129 Ų129128.8 Ų128.868%0.67573%0.729SS**  cis-176.3175.7-22179.456.3000107.5
546H38.5Very low35.3Very low146 Ų146127.1 Ų127.168%0.67673%0.725SS**  trans93.1127.2169.5-56.589.7000116.5
547H38.8Very low36.2Very low139 Ų139131.3 Ų131.364%0.64472%0.722SS**  cis-160.6-167.5-2.8-1324.1000110.8
548H37.9Very low37.2Very low129 Ų129136.6 Ų136.660%0.59774%0.74SS**  cis-148.7-68.115.9-154.6-6000120.3
549Q38.2Very low37.7Very low132 Ų132132.8 Ų132.862%0.61774%0.737SS**  trans-164.7167.8-144.2-108.9-169.397.800112.2
550Q43.5Very low38.9Very low134 Ų134135 Ų13563%0.62674%0.742SS**  cis-157174.8-5-156.3-159.189.600109.5
551Q47.4Very low39.8Very low164 Ų164131.3 Ų131.377%0.76674%0.738SS**  trans69.5171.8168.5-54.4-172.910.100117.1
552L48.1Very low41Very low169 Ų169132.1 Ų132.189%0.88574%0.741SS**  trans91.9154.3174.4-59.4169.8000118
553P36Very low42.4Very low123 Ų123135.4 Ų135.480%0.79975%0.751SS**  trans-91.2147.2-16335.7-34.8000113.9
554G26.1Very low42.5Very low75 Ų75132.1 Ų132.177%0.77375%0.752SS**  trans-103.1117.1-169.400000116.3
555Q39.5Very low42.9Very low180 Ų180130.2 Ų130.284%0.84176%0.755SS**  trans-171165.9152.9-106.9170.64200109.4
556A50.2Low43.9Very low82 Ų82129.6 Ų129.668%0.67876%0.759SS**  -157.794.7-82.700000110.9
557H55.4Low43.4Very low170 Ų170131.1 Ų131.179%0.78776%0.764SS**  trans-142.4170.3-160.2-45.2-53.3000114.7
558M47.3Very low42.9Very low196 Ų196131.1 Ų131.197%0.96677%0.769SS**  trans-153.9161.5-156.3-93.8-88.1-76.900118.4
559G36.2Very low42.7Very low69 Ų69133 Ų13371%0.71178%0.778SS**  trans98.8168.4153.400000119.7
560F48.9Very low42.8Very low205 Ų205131.1 Ų131.190%0.89978%0.777SS**  cis-174.2159.3-25.9-166.8-103.3000112.1
561G43.3Very low42.3Very low65 Ų65127.9 Ų127.967%0.6778%0.779SS**  trans160.3137.6165.400000119.6
562P51Low41.6Very low116 Ų116129.4 Ų129.475%0.75379%0.787SS**  trans-132.3-174-163.342.8-24000118.6
563P62Low40.8Very low133 Ų133124.6 Ų124.686%0.86478%0.778SS**  trans-117.7-171.4-169.543.8-33.4000116.2
564G35.7Very low41.3Very low80 Ų80124.3 Ų124.383%0.82578%0.776SS**  trans167.9156.2163.400000119.6
565A40.9Very low42.1Very low98 Ų98129 Ų12981%0.8178%0.783SS**  trans-144.9-17216700000107.5
566P57Low42Very low117 Ų117123.8 Ų123.876%0.7678%0.777SS**  cis-137.7-143.6-2.943-21.7000112.9
567F28.2Very low41.4Very low177 Ų177127 Ų12778%0.77678%0.782SS**  trans120144.9137.5-145.9-116.6000120.9
568N28.8Very low40.4Very low139 Ų139127.8 Ų127.874%0.74378%0.784SS**  trans79.4151.9162.1-96.1-18.4000125.2
569Q33.9Very low39.7Very low170 Ų170126 Ų12679%0.79477%0.773SS**  trans-105-179.1172.5-88-161.743.300110.5
570P39.7Very low39.6Very low92 Ų92132.6 Ų132.660%0.59778%0.776SS**  cis-149.9-176.32145.2-24.5000119.4
571G32.3Very low38.8Very low65 Ų65131.4 Ų131.467%0.6777%0.774SS**  116.1128.612500000123.4
572Q32.3Very low39.1Very low196 Ų196133.3 Ų133.392%0.91677%0.774SS**  trans73.7152152.3-55.7-66.17.600122
573G31.1Very low38.7Very low68 Ų68133.8 Ų133.870%0.70178%0.777SS**  trans-109.2-147.7178.400000113.6
574P48.4Very low37.3Very low118 Ų118138.6 Ų138.677%0.76678%0.778SS**  cis-143.3166.615.442.8-23.6000119.4
575L41.5Very low37.4Very low173 Ų173138.3 Ų138.391%0.90676%0.762SS**  trans60136.9146-69.4169.5000124.7
576G36.9Very low36.8Very low71 Ų71138 Ų13873%0.73275%0.746SS**  trans-179139.6160.800000112.3
577L38.3Very low35.8Very low148 Ų148135.1 Ų135.178%0.77572%0.724SS**  trans-125128.9-171.4-71.3169.6000114.8
578F34.4Very low36.4Very low187 Ų187130.5 Ų130.582%0.8271%0.712SS**  trans20.4122.5154.1-51.5-70.5000122.4
579Q33.3Very low37.1Very low159 Ų159129 Ų12974%0.74371%0.71SS**  177.4170.690.6-93.7-139.791.700115.5
580R34Very low37Very low208 Ų208128.2 Ų128.279%0.78571%0.706SS**  trans-33.4159173.8-75.2173176104.7-5.7118
581E31.4Very low36.9Very low180 Ų180132.4 Ų132.484%0.84172%0.717SS**  cis-145.2177.214.9-123.1-169.7100.900111.4
582P50.9Low37.1Very low104 Ų104132.8 Ų132.868%0.67572%0.721SS**  trans-95.2169.4-160.639.7-40.5000116.9
583P41.8Very low37.3Very low126 Ų126131.5 Ų131.582%0.81872%0.715SS**  -132.9177.8108.139.2-31.9000115.4
584R33.1Very low37.6Very low234 Ų234137.1 Ų137.188%0.88372%0.723SS**  trans-64.7154.5176.8-86.1179.4-179172.11112.5
585P36.4Very low37Very low74 Ų74135.2 Ų135.248%0.48173%0.725SS.*  cis-128.9-167.643.843.1-27.7000115.7R673P585-R673 CarbonylContact C-O 3.45Å; P585-R673 VanDerWaalsContact CB-O 3.23Å; P585-R673 WeakPolarHBondContact CB-O 3.29Å; P585-R673 WeakPolarHBondContact CG-O 3.24Å
586N29Very low36.8Very low91 Ų91135.1 Ų135.149%0.48772%0.722SS.*BIsolated β-bridgetrans-154.1133.8-164.2-174.2-4.7000114.9H672 R673N586-H672 VanDerWaalsContact C-ND1 3.26Å; N586-H672 CarbonylContact O-C 3.42Å; N586-H672 VanDerWaalsContact O-CA 3.24Å; N586-H672 WeakPolarHBondContact O-CA 3.23Å; N586-H672 PolarHBondContact O-ND1 2.91Å; N586-H672 PolarHBondContact OD1-CE1 3.18Å; N586-H672 VanDerWaalsContact OD1-CE1 3.28Å; N586-R673 CarbonylContact C-O 2.75Å; N586-R673 PolarHBondContact N-O 3.31Å; N586-R673 CarbonylContact O-C 3.19Å; N586-R673 WeakPolarHBondContact O-CA 3.47Å; N586-R673 PolarHBondContact O-N 3.16Å
587L35.8Very low36.6Very low57 Ų57135.4 Ų135.430%0.29872%0.718SS.*  trans-150.9167.7164.2-116.1176.2000103.9H672 R673 Q674L587-H672 WeakPolarHBondContact CA-ND1 3.46Å; L587-H672 HydrophobicContact CB-CB 4.45Å; L587-H672 HydrophobicContact CD2-CB 3.55Å; L587-H672 HydrophobicContact CG-CB 3.68Å; L587-H672 WeakPolarHBondContact CG-O 3.46Å; L587-R673 HydrophobicContact CD1-CB 4.02Å; L587-R673 HydrophobicContact CD1-CG 4.19Å; L587-R673 HydrophobicContact CG-CB 4.4Å; L587-Q674 HydrophobicContact CB-CB 4.28Å; L587-Q674 PolarHBondContact O-NE2 3.32Å; L587-Q674 PolarHBondContact O-OE1 3.22Å
588P41.4Very low36.3Very low80 Ų80134.6 Ų134.652%0.51971%0.714SS.*  trans-88.2-174.1161.840.3-27.2000109.5
589P42.5Very low36.4Very low108 Ų108132.1 Ų132.170%0.70171%0.709SS**  cis-145.6-179.82245-24.9000120.2
590H33.1Very low36.4Very low154 Ų154130 Ų13071%0.71370%0.702SS**  trans77.198.9167.9-82.5-80.5000119.3
591Q36.8Very low36.3Very low179 Ų179123.2 Ų123.284%0.83668%0.679SS**  27.5117.5118.7-63.2178.5-7.900117.8
592G35.9Very low36.6Very low73 Ų73119.3 Ų119.375%0.75366%0.661SS**  trans-142143.6154.600000109.6
593H37Very low35.6Very low170 Ų170116.4 Ų116.479%0.78765%0.65SS**  trans-123.6132.6-177.8-95.14.6000111.7
594Q37.6Very low35Very low185 Ų185113.9 Ų113.986%0.86465%0.647SS**  trans60.8130.8150.1-56.3176.829.500118.6
595G36.9Very low35.9Very low78 Ų78108.6 Ų108.680%0.80464%0.643SS**  trans-161.2115174.400000112.4
596M36.4Very low36.2Very low172 Ų172111.1 Ų111.185%0.84766%0.659SS**  trans-34.5132.6176.8-52.9-70.3-88.800114.1
597A33.4Very low36.4Very low77 Ų77113.1 Ų113.164%0.63667%0.67SS**  cis78.5133.248.900000115.7
598N32.3Very low36.4Very low131 Ų131118.2 Ų118.270%0.70169%0.692SS**  trans101.3120.8148.9-69.8-12.9000122.5
599L36.4Very low36.6Very low135 Ų135119.3 Ų119.371%0.70770%0.699SS**  trans68.3142.2145.4-82.761.1000116
600N31.5Very low36.4Very low114 Ų114125.3 Ų125.361%0.6171%0.708SS**  cis-150.5-17921.9-114.5-5.9000110.1
601Q32Very low36.9Very low65 Ų65123.3 Ų123.330%0.30471%0.708SS.*  cis-150.6-89.93.3-126.5-25.220.900111.5D14 K15D14-Q601 HydrophobicContact CB-CG 4.22Å; D14-Q601 VanDerWaalsContact CG-CG 3.43Å; D14-Q601 VanDerWaalsContact CG-NE2 3.26Å; D14-Q601 PolarHBondContact OD1-NE2 2.64Å; D14-Q601 PolarHBondContact OD1-OE1 2.81Å; D14-Q601 WeakPolarHBondContact OD2-CB 3.32Å; D14-Q601 VanDerWaalsContact OD2-CD 3.22Å; D14-Q601 WeakPolarHBondContact OD2-CG 3.39Å; K15-Q601 PolarHBondContact NZ-O 3.31Å; K15-Q601 PolarHBondContact O-NE2 2.89Å
602Q37.8Very low36.7Very low99 Ų99123.6 Ų123.646%0.46371%0.707SS.*  trans-145.1-171.1172.7-75.2-176.861.600109.4Y13 D14 K15Y13-Q602 HydrophobicContact CD1-CB 3.9Å; Y13-Q602 HydrophobicContact CD2-CB 4.36Å; Y13-Q602 VanDerWaalsContact CE1-C 3.41Å; Y13-Q602 HydrophobicContact CE1-CB 4.2Å; Y13-Q602 WeakPolarHBondContact CE1-O 3.4Å; Y13-Q602 HydrophobicContact CG-CB 4.01Å; D14-Q602 VanDerWaalsContact OD1-CD 3.27Å; D14-Q602 WeakPolarHBondContact OD1-CG 3.42Å; D14-Q602 PolarHBondContact OD1-NE2 3.39Å; D14-Q602 WeakPolarHBondContact OD2-CB 3.45Å; D14-Q602 PolarHBondContact OD2-N 3.14Å; K15-Q602 HydrophobicContact CD-CG 4.27Å
603G30.4Very low36.5Very low42 Ų42128.5 Ų128.543%0.43371%0.713SS.*  cis-176.2166-0.700000114.2Y13Y13-G603 VanDerWaalsContact CZ-N 3.27Å; Y13-G603 PolarHBondContact OH-N 3.08Å; Y13-G603 PolarHBondContact OH-O 3.1Å
604G29.7Very low36.8Very low73 Ų73126 Ų12675%0.75372%0.715SS**  trans124.3114.3163.200000117
605P50.8Low37Very low124 Ų124123 Ų12381%0.80571%0.711SS**  trans-87.7-179.7160.139.5-33.7000110.1
606P43.3Very low36.8Very low127 Ų127130.5 Ų130.583%0.82572%0.715SS**  cis-143.6-15128.343.8-20.7000117.1
607N33.5Very low37Very low132 Ų132128.4 Ų128.471%0.70670%0.703SS**  trans-97.7151-155.1-93.4-70.2000115.9
608Q36.2Very low37.4Very low165 Ų165130.8 Ų130.877%0.77171%0.712SS**  trans69.9168143.4-74.51744900119.1
609P44.9Very low37.4Very low102 Ų102132.5 Ų132.566%0.66271%0.714SS**  cis-139.3145.1-28.131-11.6000116.7
610R38Very low37.1Very low234 Ų234129 Ų12988%0.88371%0.711SS**  trans61.2-175.9160.3-68.6-173.9-176.1-114.62.8114.4
611P43.9Very low37.1Very low112 Ų112130.8 Ų130.873%0.72772%0.715SS**  cis-129.2-178.4-3.737.6-17.3000116.9
612F32.7Very low37.1Very low185 Ų185136 Ų13681%0.81174%0.74SS**  trans6.8132.1154.4-75.3-106.6000120.7
613M31.9Very low36.8Very low177 Ų177134.4 Ų134.487%0.87275%0.75SS**  177.1151.398.1-94-149.8160.300113.7
614S43.7Very low36.9Very low118 Ų118139.9 Ų139.983%0.82577%0.769SS**  trans-136.7137.2168.3-600000109.5
615P41.5Very low37Very low122 Ų122144.1 Ų144.179%0.79277%0.771SS**  trans-148.5148.8132.337.2-21.9000116.4
616R32.3Very low36.4Very low235 Ų235146.7 Ų146.789%0.88777%0.77SS**  126.6116.7122.6-144.5169.1-155.8-80.91.3116.4
617Q40.5Very low36.3Very low127 Ų127146.2 Ų146.259%0.59377%0.767SS**  trans-82.9169.3169.6-71.7-97.6-10.900111.8F619Q617-F619 HydrophobicContact CB-CD2 3.98Å; Q617-F619 HydrophobicContact CG-CD2 3.94Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å
618P42.7Very low36.8Very low127 Ų127145.2 Ų145.283%0.82577%0.767SS**  -117.4128127.633.9-29.3000111.5
619F32.3Very low37.5Very low168 Ų168142.9 Ų142.974%0.73777%0.766SS**  trans-98.9143.6-176-115.2-88.7000112.8Q617Q617-F619 HydrophobicContact CB-CD2 3.98Å; Q617-F619 HydrophobicContact CG-CD2 3.94Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å
620G30.2Very low37.5Very low62 Ų62143.4 Ų143.464%0.63977%0.77SS**  trans-136.4115146.900000107
621Q31.5Very low37.3Very low151 Ų151137.9 Ų137.971%0.70676%0.762SS**  59.6112.673-60.5-70.275.400110.2
622Q30.5Very low36.8Very low175 Ų175140 Ų14082%0.81876%0.762SS**  cis-150.5165.611.9-58.5-178.2-20.100110.2
623G32.2Very low36.8Very low65 Ų65140.4 Ų140.467%0.6776%0.764SS**  cis166.9-178.5-6.800000114.5
624N32.9Very low36.9Very low157 Ų157134.9 Ų134.984%0.8475%0.753SS**  trans61.8126.1158.9-6218.7000121.8
625M31.2Very low36.7Very low162 Ų162136.7 Ų136.780%0.79875%0.752SS**  trans-96.7145.8153.1-65.9172.658.900109.9
626F38.2Very low36.3Very low177 Ų177139.4 Ų139.478%0.77675%0.754SS**  trans63.2143.1171.8-74.2-76.6000116.5
627P42.4Very low36.5Very low117 Ų117132 Ų13276%0.7674%0.743SS**  -143.3176.679.441.4-25.2000116
628P44Very low36.3Very low111 Ų111133.8 Ų133.872%0.72175%0.751SS**  trans-89.4-171.1164.641-36.8000111.8
629P49.8Very low36Very low116 Ų116136.3 Ų136.375%0.75374%0.744SS**  trans-88.2-172.8-151.443.2-43.4000114.3
630P46.2Very low36Very low113 Ų113139 Ų13973%0.73475%0.749SS**  cis-153.3-174.322.842.4-17.6000121.6
631V33.8Very low36.1Very low118 Ų118139.3 Ų139.372%0.71575%0.752SS**  trans70125.6158.1-1090000126.3
632Q31.6Very low36.2Very low158 Ų158139.6 Ų139.674%0.73876%0.758SS**  trans79.5140.3133.8-97.6172.65000126.3
633F33.8Very low36.2Very low192 Ų192138 Ų13884%0.84275%0.754SS**  trans54.7117.1157.6-74.2-70.2000124.3
634G32.7Very low36.3Very low62 Ų62142.8 Ų142.864%0.63976%0.758SS**  110.182.991.600000124
635I40.6Very low36.3Very low156 Ų156142.1 Ų142.180%0.876%0.76SS**  trans56.2141.51385.8176.6000125.1
636Q33.8Very low37.6Very low179 Ų179139.9 Ų139.984%0.83676%0.758SS**  trans75.1160.7156.1-62179.498.200120.4
637A35.8Very low38.1Very low79 Ų79137.6 Ų137.665%0.65376%0.761SS**  cis-174.3147.2-39.200000113.2
638Q36.9Very low37.8Very low165 Ų165138.7 Ų138.777%0.77177%0.765SS**  trans65.9163.3160.5-64-162.733.800118.9
639R34.8Very low37.2Very low180 Ų180138.1 Ų138.168%0.67976%0.764SS**  cis-165.7159-15.4-116.6-171.3-177.3-170.7-4113.9
640R33.9Very low36.3Very low223 Ų223140.2 Ų140.284%0.84276%0.763SS**  trans61.6156.4154.4-69.7174.8168.2-176.1-5.8118.8
641G30.6Very low35.4Very low69 Ų69140.5 Ų140.571%0.71176%0.758SS**  cis155.9157.8-15.700000116.2
642L35.1Very low36.1Very low158 Ų158139.8 Ų139.883%0.82776%0.756SS**  trans93.1122.5152.8-58.1175.1000124.6
643I30.1Very low36.2Very low142 Ų142139.6 Ų139.673%0.72876%0.755SS**  trans94.1140.8130.3-68.5169.4000123.8
644H35Very low36.1Very low165 Ų165138.4 Ų138.476%0.76475%0.751SS**  trans-70.9170.5-163.7-39.6132000121
645T32Very low35.6Very low143 Ų143141.8 Ų141.888%0.87776%0.755SS**  -170.2158113.519.10000114.1
646P58.2Low36.1Very low115 Ų115139.1 Ų139.175%0.74775%0.748SS**  trans-122.9178.3-176.743.7-32.2000115.7
647P49.7Very low35.9Very low129 Ų129138 Ų13884%0.83875%0.747SS**  -142.6174.912636.8-21.4000117.1
648V34.4Very low35.8Very low139 Ų139139.3 Ų139.384%0.84275%0.751SS**  trans-62.1167.9-177.3-96.40000116
649S33.4Very low36.2Very low100 Ų100136.8 Ų136.870%0.69975%0.749SS**  cis-148.8-155.218.1-142.90000111.6
650Q29.2Very low36.5Very low159 Ų159136.7 Ų136.774%0.74376%0.756SS**  cis-159.9175.79-132.2-59.46500110.2
651L28.5Very low37Very low119 Ų119131.4 Ų131.462%0.62375%0.75SS**  trans-137.2-162166.9-139.575.3000110.5
652P47.6Very low37Very low104 Ų104135.6 Ų135.668%0.67576%0.755SS**  cis-106-176.316.610.515.7000112.8
653H34.8Very low37.1Very low153 Ų153134.7 Ų134.771%0.70875%0.746SS**  cis-160.7-157.7-16.3-99.5-25.1000106.1
654H30.6Very low37.4Very low167 Ų167130.7 Ų130.777%0.77372%0.724SS**  cis-155.7-149.19.9-146.5-33.3000112.6
655D23.8Very low37.4Very low134 Ų134126.5 Ų126.572%0.71771%0.705SS**  trans-155.9174.4-161.6-117.9-36.8000110.7
656P49.1Very low37.6Very low100 Ų100125 Ų12565%0.64969%0.688SS**  cis-143.8162.5-3.831-7000120.5
657L31.5Very low36.6Very low156 Ų156124.5 Ų124.582%0.81768%0.676SS**  trans75.8134.2138.2-75.7167.2000127.1
658S31.7Very low35.9Very low105 Ų105124.1 Ų124.173%0.73466%0.662SS**  trans105.6156138.1-67.70000123.8
659P45.6Very low35.9Very low113 Ų113124.4 Ų124.473%0.73465%0.654SS**  trans-123.1-166.2-146.145-32.6000120.1
660H42.3Very low35.8Very low178 Ų178126.7 Ų126.782%0.82465%0.654SS**  trans-110-147.8-164.2-24.8-58.1000114.5
661P42.8Very low35.8Very low111 Ų111126.8 Ų126.872%0.72165%0.654SS**  cis-148.7-162.95.846.2-23.5000119.2
662I30.7Very low35.9Very low158 Ų158125.9 Ų125.981%0.8165%0.646SS**  trans83.2103.7154.7-64.2165.7000124.9
663H37.8Very low35Very low138 Ų138129.2 Ų129.264%0.63965%0.645SS**  54135.1120-14433.6000129.2E688H663-E688 WeakPolarHBondContact CA-OE1 3.42Å; H663-E688 WeakPolarHBondContact CA-OE2 2.8Å; H663-E688 IonicContact CE1-OE1 3.77Å; H663-E688 IonicContact CG-OE1 3.79Å; H663-E688 PolarHBondContact N-OE2 2.94Å; H663-E688 IonicContact ND1-OE1 3.58Å; H663-E688 PolarHBondContact ND1-OE1 2.86Å
664Q35.7Very low34.8Very low59 Ų59125.9 Ų125.928%0.27663%0.63SS.*  151.6111.4120.6-176.8-176.6119.700120.1E688 P689 R690Q664-E688 VanDerWaalsContact N-CD 3.29Å; Q664-E688 PolarHBondContact N-OE1 3.19Å; Q664-P689 CarbonylContact C-O 3.56Å; Q664-P689 CarbonylContact O-C 2.97Å; Q664-R690 HydrophobicContact CB-CG 4.08Å; Q664-R690 HydrophobicContact CG-CG 3.96Å; Q664-R690 WeakPolarHBondContact O-CA 3.06Å; Q664-R690 WeakPolarHBondContact O-CG 3.16Å; Q664-R690 PolarHBondContact O-N 3.49Å; Q664-R690 VanDerWaalsContact OE1-NE 3.16Å
665Q36.3Very low34.7Very low77 Ų77124.6 Ų124.636%0.3662%0.624SS.*  83.7135.7129.6-159-16923.500129.5P689 R690 S691Q665-P689 CarbonylContact C-O 3.6Å; Q665-P689 PolarHBondContact N-O 3.12Å; Q665-P689 CarbonylContact O-C 3.56Å; Q665-P689 VanDerWaalsContact O-C 3.3Å; Q665-R690 CarbonylContact O-C 3.51Å; Q665-R690 WeakPolarHBondContact O-CA 3.48Å; Q665-R690 PolarHBondContact O-N 3.16Å; Q665-R690 VanDerWaalsContact O-N 3.12Å; Q665-S691 PolarHBondContact O-N 2.89Å; Q665-S691 PolarHBondContact OE1-OG 3.04Å
666Q36.3Very low35.4Very low111 Ų111125.7 Ų125.752%0.51963%0.627SS.*  trans62.1163.7153.7-97.3172.186.800122.9S691 M692Q666-S691 WeakPolarHBondContact CB-O 3.37Å; Q666-S691 VanDerWaalsContact CD-O 3.3Å; Q666-S691 PolarHBondContact OE1-O 2.67Å; Q666-M692 VanDerWaalsContact OE1-CA 3.27Å
667Q36.5Very low35Very low104 Ų104125.5 Ų125.549%0.48663%0.626SS.*  cis-139.1158.612.1-86.1-147.6-26.600117.5S691 M692 T693Q667-S691 VanDerWaalsContact CG-O 3.23Å; Q667-S691 WeakPolarHBondContact CG-O 3.41Å; Q667-M692 PolarHBondContact NE2-O 2.98Å; Q667-T693 PolarHBondContact NE2-O 2.94Å
668H35.3Very low35Very low121 Ų121125.6 Ų125.656%0.5662%0.622SS**  trans38.8112.7151.8-72.2-77.5000127.1
669H33.9Very low34.9Very low146 Ų146129.5 Ų129.568%0.67663%0.628SS**  88.6110.8118.8-75.44.3000124.9
670H32.3Very low34.1Very low148 Ų148131.4 Ų131.469%0.68563%0.627SS**  91.7130.3128.1-87.335.7000121.6
671H29.4Very low33.5Very low160 Ų160130 Ų13074%0.74162%0.621SS**  trans56.1115.2164.3-58.3-63.3000120.6
672H30.3Very low32.8Very low101 Ų101131.7 Ų131.747%0.46862%0.619SS.*  trans81.4116.7134-108.7-8000119N586 L587N586-H672 VanDerWaalsContact C-ND1 3.26Å; N586-H672 CarbonylContact O-C 3.42Å; N586-H672 VanDerWaalsContact O-CA 3.24Å; N586-H672 WeakPolarHBondContact O-CA 3.23Å; N586-H672 PolarHBondContact O-ND1 2.91Å; N586-H672 PolarHBondContact OD1-CE1 3.18Å; N586-H672 VanDerWaalsContact OD1-CE1 3.28Å; L587-H672 WeakPolarHBondContact CA-ND1 3.46Å; L587-H672 HydrophobicContact CB-CB 4.45Å; L587-H672 HydrophobicContact CD2-CB 3.55Å; L587-H672 HydrophobicContact CG-CB 3.68Å; L587-H672 WeakPolarHBondContact CG-O 3.46Å
673R28.7Very low32.7Very low174 Ų174130.8 Ų130.866%0.65761%0.612SS**BIsolated β-bridgetrans-158.2139.7142.3-178.558.8-159.6-119.211112.2P585 N586 L587P585-R673 CarbonylContact C-O 3.45Å; P585-R673 VanDerWaalsContact CB-O 3.23Å; P585-R673 WeakPolarHBondContact CB-O 3.29Å; P585-R673 WeakPolarHBondContact CG-O 3.24Å; N586-R673 CarbonylContact C-O 2.75Å; N586-R673 PolarHBondContact N-O 3.31Å; N586-R673 CarbonylContact O-C 3.19Å; N586-R673 WeakPolarHBondContact O-CA 3.47Å; N586-R673 PolarHBondContact O-N 3.16Å; L587-R673 HydrophobicContact CD1-CB 4.02Å; L587-R673 HydrophobicContact CD1-CG 4.19Å; L587-R673 HydrophobicContact CG-CB 4.4Å
674Q29.7Very low32.3Very low83 Ų83130.7 Ų130.739%0.38861%0.614SS.*  trans-104.1152.3178.9-165.9163.568.100111.8L587L587-Q674 HydrophobicContact CB-CB 4.28Å; L587-Q674 PolarHBondContact O-NE2 3.32Å; L587-Q674 PolarHBondContact O-OE1 3.22Å
675E28.2Very low31.9Very low140 Ų140134 Ų13465%0.65463%0.634SS**  trans67.2162.9173.1-59.1-123.883.500118
676M39.8Very low31.7Very low156 Ų156134.3 Ų134.377%0.76864%0.638SS**  trans-47.8166.2158.3-76.6-179.2-7200112.1
677P39.4Very low31.4Very low96 Ų96136 Ų13662%0.62365%0.65SS**  cis-133.9-170.232.221.17.7000113.6
678H31.7Very low31.3Very low159 Ų159136.1 Ų136.174%0.73665%0.651SS**  cis-160.6165.135.4-5672000113
679Q30.3Very low31.4Very low186 Ų186135.3 Ų135.387%0.86966%0.656SS**  -152.4108.5114.5-126.8-154111.600114.4
680Q27.9Very low31.2Very low153 Ų153136.2 Ų136.272%0.71565%0.654SS**SBend-141.9153.1122.9-119.3-16135.600108
681H29.9Very low30.8Very low148 Ų148131 Ų13169%0.68563%0.634SS**SBendtrans63.888.3-178.7-69.389.9000118.3
682Q28.9Very low30.7Very low148 Ų148129.4 Ų129.469%0.69263%0.628SS**  trans73.8147133.1-43.5-136.7106.300119.4
683Q27.4Very low30.6Very low139 Ų139128 Ų12865%0.6563%0.627SS**  cis-160.6137.2-20.8-107.7-169.426.800109.5
684I30.8Very low30.6Very low135 Ų135127.6 Ų127.669%0.69263%0.632SS**  trans70.798138.8-57.9177.4000121.5
685N26.7Very low30.7Very low130 Ų130133 Ų13370%0.69566%0.657SS**  90151122.8-115.9-15.6000128
686L33.2Very low30.7Very low83 Ų83129.8 Ų129.844%0.43566%0.662SS.*  trans80.2115.1145.6-74.9159.5000126.2L393L393-L686 HydrophobicContact CD1-CB 3.74Å; L393-L686 HydrophobicContact CD1-CD1 4Å; L393-L686 HydrophobicContact CD2-CB 3.73Å; L393-L686 HydrophobicContact CG-CB 4.37Å
687N28.3Very low30.4Very low146 Ų146131.2 Ų131.278%0.78167%0.667SS**  trans54.3160.1132.5-69.721.7000126.7
688E34.7Very low30.1Very low106 Ų106134.9 Ų134.950%0.49568%0.681SS.*  trans-68.5157.9-172-61.9167.8102.900117.2H663 Q664H663-E688 WeakPolarHBondContact CA-OE1 3.42Å; H663-E688 WeakPolarHBondContact CA-OE2 2.8Å; H663-E688 IonicContact CE1-OE1 3.77Å; H663-E688 IonicContact CG-OE1 3.79Å; H663-E688 PolarHBondContact N-OE2 2.94Å; H663-E688 IonicContact ND1-OE1 3.58Å; H663-E688 PolarHBondContact ND1-OE1 2.86Å; Q664-E688 VanDerWaalsContact N-CD 3.29Å; Q664-E688 PolarHBondContact N-OE1 3.19Å
689P37.4Very low30.4Very low105 Ų105132.4 Ų132.468%0.68268%0.679SS**  -144.4-138.5118.942.6-27.6000114.7Q664 Q665Q664-P689 CarbonylContact C-O 3.56Å; Q664-P689 CarbonylContact O-C 2.97Å; Q665-P689 CarbonylContact C-O 3.6Å; Q665-P689 PolarHBondContact N-O 3.12Å; Q665-P689 CarbonylContact O-C 3.56Å; Q665-P689 VanDerWaalsContact O-C 3.3Å
690R29.8Very low30.5Very low165 Ų165132.6 Ų132.662%0.62368%0.677SS**  trans-126.3149-130.8-98.6-166.4-172-142.18.9121.7Q664 Q665Q664-R690 HydrophobicContact CB-CG 4.08Å; Q664-R690 HydrophobicContact CG-CG 3.96Å; Q664-R690 WeakPolarHBondContact O-CA 3.06Å; Q664-R690 WeakPolarHBondContact O-CG 3.16Å; Q664-R690 PolarHBondContact O-N 3.49Å; Q664-R690 VanDerWaalsContact OE1-NE 3.16Å; Q665-R690 CarbonylContact O-C 3.51Å; Q665-R690 WeakPolarHBondContact O-CA 3.48Å; Q665-R690 PolarHBondContact O-N 3.16Å; Q665-R690 VanDerWaalsContact O-N 3.12Å
691S24.5Very low30.8Very low38 Ų38132.8 Ų132.827%0.26668%0.678SS.*  trans79.4168.9137.3-640000125.2Q665 Q666 Q667Q665-S691 PolarHBondContact O-N 2.89Å; Q665-S691 PolarHBondContact OE1-OG 3.04Å; Q666-S691 WeakPolarHBondContact CB-O 3.37Å; Q666-S691 VanDerWaalsContact CD-O 3.3Å; Q666-S691 PolarHBondContact OE1-O 2.67Å; Q667-S691 VanDerWaalsContact CG-O 3.23Å; Q667-S691 WeakPolarHBondContact CG-O 3.41Å
692M27.8Very low30.8Very low126 Ų126133.3 Ų133.362%0.62168%0.681SS**  trans-76.4163.6-146.3-47.5179.5-61.500119.7Q666 Q667Q666-M692 VanDerWaalsContact OE1-CA 3.27Å; Q667-M692 PolarHBondContact NE2-O 2.98Å
693T27.1Very low30.9Very low71 Ų71132.7 Ų132.744%0.43668%0.678SS.*  trans61.7170.3143.747.10000117.4Q667Q667-T693 PolarHBondContact NE2-O 2.94Å
694H29.6Very low31.3Very low166 Ų166134.3 Ų134.377%0.76969%0.685SS**  cis-140.6169.819.2-84.4-87.5000113.6
695H31.2Very low31.3Very low196 Ų196130.7 Ų130.791%0.90768%0.681SS**  trans-74.8159.9154-68.110.6000110.8
696G27.9Very low31.6Very low74 Ų74133.6 Ų133.676%0.76369%0.69SS**  trans134.1141.7146.300000115.9
697Q33.4Very low31.3Very low186 Ų186136.9 Ų136.987%0.86971%0.714SS**  trans-69.7151.6160.9-62.8153-47.500109.1P699Q697-P699 VanDerWaalsContact O-CD 3.29Å; Q697-P699 WeakPolarHBondContact O-CD 3.31Å
698N33Very low31.3Very low172 Ų172133.1 Ų133.192%0.9271%0.709SS**  trans-72.4132.7170.3-88.2-13.5000111.5
699P38.7Very low31.6Very low107 Ų107133.8 Ų133.870%0.69572%0.723SS**  trans-130.8116.7162.231.1-10.2000113Q697Q697-P699 VanDerWaalsContact O-CD 3.29Å; Q697-P699 WeakPolarHBondContact O-CD 3.31Å
700F32.4Very low31.2Very low190 Ų190133.9 Ų133.983%0.83371%0.709SS**  trans70.4134143-89.4-119.8000122.6
701H34.2Very low31.3Very low158 Ų158130.6 Ų130.673%0.73170%0.701SS**  trans77.7121.5143.9-95.765.6000122.8
702Q29.2Very low31.6Very low159 Ų159133.9 Ų133.974%0.74371%0.713SS**  trans-61.9122147.9176.5-147.9113.600109.7
703Q32.5Very low31.9Very low135 Ų135131.9 Ų131.963%0.63171%0.706SS**  177.3140.4117.9-93.6-168.987.600112.5
704Q34.2Very low32.7Very low173 Ų173131.5 Ų131.581%0.80870%0.704SS**  trans27.6138.5141.5-44.8-175.242.200120.5
705G32.1Very low32.6Very low59 Ų59133 Ų13361%0.60870%0.703SS**  cis15585.2-0.500000115.1
706H33.3Very low32.5Very low190 Ų190126.4 Ų126.488%0.8868%0.679SS**  trans66.2173.8159.5-55-80.4000119.7
707V26.1Very low32.6Very low153 Ų153130.7 Ų130.793%0.92768%0.679SS**  trans75.1139.3167.8-164.90000117
708G28.3Very low32.2Very low67 Ų67127.7 Ų127.769%0.69167%0.669SS**  trans129.8129.3162.200000115.8
709P41.8Very low33Very low120 Ų120124.5 Ų124.578%0.77966%0.658SS**  trans-105.4154.4179.838.6-32.9000114.9
710R28.8Very low33.4Very low106 Ų106124.3 Ų124.340%0.466%0.656SS.*  trans15.3127.4141.3-47.5172.8118.6-103.3-1.4117.8Q1033 K1034 N1035R710-Q1033 PolarHBondContact NH1-O 2.73Å; R710-K1034 VanDerWaalsContact CZ-C 3.41Å; R710-K1034 PolarHBondContact NH2-O 2.98Å; R710-N1035 VanDerWaalsContact CZ-O 3.23Å; R710-N1035 PolarHBondContact NE-O 3.24Å; R710-N1035 PolarHBondContact NH2-O 2.67Å
711H32.4Very low33.3Very low97 Ų97123.8 Ų123.845%0.44966%0.657SS.*  -165.1-147.1102.1-102.2-58.8000115.8V1031 P1032 Q1033H711-V1031 HydrophobicContact CB-CG1 3.77Å; H711-P1032 VanDerWaalsContact CE1-C 3.46Å; H711-Q1033 VanDerWaalsContact CE1-CA 3.43Å; H711-Q1033 WeakPolarHBondContact CE1-CA 3.43Å; H711-Q1033 PolarHBondContact CE1-N 2.88Å; H711-Q1033 VanDerWaalsContact NE2-CA 3.32Å; H711-Q1033 WeakPolarHBondContact NE2-CA 3.22Å; H711-Q1033 PolarHBondContact NE2-N 2.81Å
712M30.2Very low33.3Very low106 Ų106127.3 Ų127.352%0.52266%0.663SS.*  -125.2177.5-124.5-150.5150128.800118.2Q1030 V1031M712-Q1030 WeakPolarHBondContact CB-O 3.46Å; M712-Q1030 WeakPolarHBondContact CG-O 3.34Å; M712-V1031 HydrophobicContact CB-CB 4.25Å; M712-V1031 HydrophobicContact CB-CG1 3.48Å; M712-V1031 VanDerWaalsContact CB-CG1 3.48Å; M712-V1031 WeakPolarHBondContact CE-O 3.42Å
713N33.6Very low33.4Very low85 Ų85126.1 Ų126.146%0.45566%0.662SS.*  trans-69.7147.9-166.6179.184.8000116.2A1029 Q1030N713-A1029 CarbonylContact O-C 3.55Å; N713-Q1030 CarbonylContact O-C 3.58Å; N713-Q1030 WeakPolarHBondContact O-CA 3.15Å; N713-Q1030 PolarHBondContact O-N 2.95Å
714P44.7Very low33.4Very low63 Ų63127.4 Ų127.441%0.40967%0.67SS.*  trans-117.8150.4157.25.218.5000116.6P1027 G1028 A1029P714-P1027 CarbonylContact C-O 2.83Å; P714-G1028 WeakPolarHBondContact CB-O 3.49Å; P714-A1029 VanDerWaalsContact CA-N 3.29Å; P714-A1029 WeakPolarHBondContact CA-O 3.39Å; P714-A1029 VanDerWaalsContact CB-N 3.27Å
715R27.6Very low33.3Very low197 Ų197125.4 Ų125.474%0.74368%0.675SS**  trans-130.4118.5178.7167-108.2176.987.3-0.3118.7P1027 G1028 A1029R715-P1027 CarbonylContact C-O 3.09Å; R715-P1027 WeakPolarHBondContact CA-O 3.46Å; R715-P1027 PolarHBondContact N-O 2.89Å; R715-G1028 VanDerWaalsContact C-CA 3.47Å; R715-G1028 WeakPolarHBondContact O-CA 3.06Å; R715-A1029 PolarHBondContact N-O 3.41Å
716S29.5Very low33.1Very low57 Ų57129.6 Ų129.640%0.39968%0.684SS.*  trans146.3131.2142.268.30000122.3P1027S716-P1027 PolarHBondContact N-O 3.33Å; S716-P1027 WeakPolarHBondContact O-CD 3.23Å
717Q29.4Very low33.1Very low165 Ų165130.6 Ų130.677%0.77168%0.68SS**  trans112.4155.5152.1-58.3-167.86.300122
718N24.9Very low33.5Very low123 Ų123131.5 Ų131.566%0.65867%0.674SS**  trans-124.9-177.3-170.7-84.9-12.3000110.9A1024N718-A1024 PolarHBondContact OD1-O 3.22Å
719P49.6Very low33.7Very low104 Ų104138.2 Ų138.268%0.67568%0.678SS**  cis-128.4-30.8-27.320.3-1.9000123.9
720P46.7Very low33Very low103 Ų103139.6 Ų139.667%0.66968%0.676SS**  -130.1169.9-114.942.6-28.6000120.9
721Q30.6Very low33.1Very low180 Ų180142.1 Ų142.184%0.84170%0.698SS**  trans84.2152.1149.4-77-105.1-16.700122.5
722R34.3Very low33.5Very low231 Ų231142.5 Ų142.587%0.87271%0.707SS**  trans62.6113-176.4-66.2-174.6174.5-179.4-2.8116
723N30.7Very low34.1Very low134 Ų134142.7 Ų142.772%0.71772%0.716SS**  cis94.6123.324.4-158.115.6000115.1
724M32.8Very low33.8Very low162 Ų162146.3 Ų146.380%0.79873%0.734SS**  trans17.8131171.7-72.4-176.6-72.600122
725S31.1Very low33.1Very low131 Ų131148.4 Ų148.492%0.91675%0.75SS**  trans-151.6154.5139.3-86.40000111.5
726N28.4Very low33.6Very low147 Ų147147.8 Ų147.879%0.78675%0.753SS**  trans-88.9164.6-168.8-157.3-9.9000113.6
727R34.6Very low34Very low211 Ų211151 Ų15180%0.79677%0.772SS**  trans22123.7148.5176.7-169.1-72.5-146.2-1.4118.5
728Q33.9Very low33.8Very low173 Ų173149.9 Ų149.981%0.80877%0.769SS**  -167131.2124.3-107.5175.535.700116.3
729R32.6Very low34Very low208 Ų208150.8 Ų150.879%0.78577%0.769SS**  trans42.2129.8142.3-62.8176.7104.9-102.84.6122.2
730M27.4Very low33.5Very low148 Ų148153.2 Ų153.273%0.72977%0.771SS**  trans-41.7141.7151.4-70.5-99.8-74.400113.7T732M730-T732 HydrophobicContact CE-CG2 4.32Å
731N30.3Very low33.1Very low159 Ų159158.8 Ų158.885%0.8578%0.779SS**  trans-124.4105.9155.4-92.8-5.8000109.5
732T39.8Very low33.2Very low105 Ų105156.2 Ų156.264%0.64477%0.771SS**  trans-129.3140.7161.150.30000105.8M730M730-T732 HydrophobicContact CE-CG2 4.32Å
733P42.7Very low33.2Very low110 Ų110148 Ų14871%0.71475%0.748SS**  -154164.995.840.2-23.3000116.7
734I27.4Very low33.5Very low162 Ų162148.6 Ų148.683%0.83175%0.752SS**  trans68.3141.3148.4-71.5160.8000116.6
735S31.6Very low33.9Very low107 Ų107147 Ų14775%0.74875%0.746SS**  cis-129.5161.113.9-29.20000114.1
736K37.9Very low34.7Very low183 Ų183151.3 Ų151.380%0.79674%0.742SS**  trans-85168.8158.9-56175.2-176.8168.80109.3M738K736-M738 HydrophobicContact CB-CB 4.38Å
737P36.6Very low35.7Very low125 Ų125150.5 Ų150.581%0.81273%0.734SS**  -106.1149.658.8-525.9000112.5
738M26.6Very low36.2Very low141 Ų141148 Ų14870%0.69574%0.735SS**  cis83.1128.734.3-169.9173.9158.400113.6K736K736-M738 HydrophobicContact CB-CB 4.38Å
739Q29Very low36.5Very low143 Ų143145.5 Ų145.567%0.66873%0.734SS**  trans64.3142.9-166.7-50.2-53.6-13.100115.3
740H39.1Very low36.8Very low154 Ų154142.2 Ų142.271%0.71374%0.736SS**  cis-135.21411.4-146-85000109.5
741R38.7Very low37.1Very low220 Ų220139 Ų13983%0.8373%0.734SS**  trans-76.1-175.3160.7-91.4178.4155.5148.5-10109
742N31.1Very low37.1Very low126 Ų126136.4 Ų136.467%0.67473%0.726SS**  trans97.8156.3159.5-47.2-9000117.8
743S35.9Very low36.6Very low58 Ų58135.8 Ų135.841%0.40673%0.731SS.*  trans32.5105.5160.326.10000120.4E747S743-E747 WeakPolarHBondContact CB-OE1 3.25Å
744N35.4Very low36Very low148 Ų148137.4 Ų137.479%0.79173%0.734SS**  trans-148.167.5139.7-99.4-88000107.8R746N744-R746 VanDerWaalsContact C-N 3.29Å
745L42.2Very low36.3Very low127 Ų127135.8 Ų135.867%0.66573%0.731SS**  cis31.758.221.4-101.7172.1000112.9E747L745-E747 HydrophobicContact CD2-CG 3.95Å; L745-E747 PolarHBondContact O-N 3.24Å
746R48Very low36.1Very low223 Ų223138.1 Ų138.184%0.84274%0.736SS**  trans-68.185.7145.8-91.4-174.4169.3150.80.1106.8N744 L748N744-R746 VanDerWaalsContact C-N 3.29Å; R746-L748 PolarHBondContact O-N 3.12Å; R746-L748 VanDerWaalsContact O-N 3.12Å
747E50Low35.8Very low130 Ų130136.8 Ų136.861%0.60773%0.734SS**  trans-42.3114.7156.3-67.3148.2-149.900107.2S743 L745S743-E747 WeakPolarHBondContact CB-OE1 3.25Å; L745-E747 HydrophobicContact CD2-CG 3.95Å; L745-E747 PolarHBondContact O-N 3.24Å
748L44.1Very low35.4Very low158 Ų158137.9 Ų137.983%0.82773%0.733SS**  trans-64.9130.4156.5-73.2174000105.3R746 V750R746-L748 PolarHBondContact O-N 3.12Å; R746-L748 VanDerWaalsContact O-N 3.12Å; L748-V750 PolarHBondContact O-N 2.75Å
749P40.5Very low35.4Very low120 Ų120135.8 Ų135.878%0.77973%0.732SS**  trans-63.1112.6-167.923.6-33.7000110.5A751P749-A751 PolarHBondContact O-N 2.81Å; P749-A751 VanDerWaalsContact O-N 3.16Å
750V37.6Very low35.4Very low139 Ų139134.7 Ų134.784%0.84274%0.74SS**  trans-63.7112.7159.7177.60000105.9L748L748-V750 PolarHBondContact O-N 2.75Å
751A35Very low35.1Very low81 Ų81132.8 Ų132.867%0.66974%0.744SS**  trans-60.8144.9175.300000109.6P749P749-A751 PolarHBondContact O-N 2.81Å; P749-A751 VanDerWaalsContact O-N 3.16Å
752P30.7Very low34.9Very low105 Ų105128 Ų12868%0.68274%0.742SS**  trans-61.9142.5-170.124.5-34.9000112.5N754P752-N754 PolarHBondContact O-N 2.81Å
753A29Very low34.7Very low92 Ų92126.3 Ų126.376%0.7675%0.745SS**  trans-67.695167.900000109.8T755A753-T755 PolarHBondContact O-N 3.17Å
754N29.7Very low34.4Very low144 Ų144127.8 Ų127.877%0.7776%0.761SS**  trans-79.374.7170.6-76.1-10000110.2P752 N756P752-N754 PolarHBondContact O-N 2.81Å; N754-N756 PolarHBondContact O-N 2.75Å
755T34Very low34.2Very low127 Ų127128 Ų12878%0.77976%0.762SS**  trans-62.5110.9158.748.40000108.4A753A753-T755 PolarHBondContact O-N 3.17Å
756N27Very low33.7Very low157 Ų157129.2 Ų129.284%0.8477%0.768SS**  trans-107.3107.4165.5-165.125.5000109.4N754N754-N756 PolarHBondContact O-N 2.75Å
757M31.8Very low33.1Very low154 Ų154126.2 Ų126.276%0.75977%0.768SS**  trans-68.9137.5169.1-67.9-71.4-171.800109.5
758N27.5Very low33Very low149 Ų149125 Ų12580%0.79777%0.772SS**  trans169.6104.8137-85.9-16.2000108.4
759S26.5Very low32.2Very low97 Ų97124 Ų12468%0.67877%0.772SS**  82.7101.56773.90000113.7
760S28.7Very low31.6Very low120 Ų120121.9 Ų121.984%0.83977%0.765SS**  trans-178.7125.6132.332.40000111.4
761S32.9Very low31.2Very low113 Ų113126.6 Ų126.679%0.7977%0.767SS**  trans-81.8149.1155-55.20000108.7
762P35.5Very low31Very low121 Ų121129.1 Ų129.179%0.78677%0.774SS**  -120.1143.596-1.321.8000110.9
763A27Very low31.2Very low90 Ų90130.1 Ų130.174%0.74478%0.779SS**  cis8614340.500000114.9
764A30.3Very low31.8Very low89 Ų89132 Ų13274%0.73678%0.783SS**  trans80.3107.7175.700000119.5
765N29.9Very low31.8Very low151 Ų151128.6 Ų128.681%0.80778%0.783SS**  41.9135.6128.6-56.3-26.3000121.9
766I31.7Very low31.6Very low153 Ų153131.8 Ų131.879%0.78579%0.791SS**  -179.3131.7105-86.8150.7000110.3
767N36.7Very low31.6Very low161 Ų161134.8 Ų134.886%0.86179%0.79SS**  trans-109.6143.1154.3-81.3-32.5000106.7
768P46.1Very low32.2Very low105 Ų105133.4 Ų133.468%0.68279%0.793SS**  -159.9148.2106.239.5-19.3000119.2
769V28.5Very low32.2Very low136 Ų136128.7 Ų128.782%0.82478%0.78SS**  72.4112.9126.4174.80000123.2
770A28.2Very low32.5Very low76 Ų76133.3 Ų133.363%0.62879%0.791SS**  65.1132.9127.800000123.1
771R29.2Very low32.4Very low237 Ų237135.3 Ų135.389%0.89479%0.792SS**  71.7151.698.9-59.4179.9177.1-172.6-0.8114.9
772T29.4Very low32.2Very low134 Ų134134 Ų13482%0.82279%0.788SS**  cis-157.1164.643.944.60000116.3
773T36.5Very low31.9Very low127 Ų127136.7 Ų136.778%0.77979%0.79SS**  trans-72.1171.9166.354.80000114.3
774P41.7Very low33.1Very low131 Ų131137.5 Ų137.585%0.85179%0.787SS**  -148.6149.794.737.9-21.2000116
775G28.9Very low32.9Very low73 Ų73137.1 Ų137.175%0.75379%0.785SS**  126.2158.194.500000110.7
776M29.3Very low32.8Very low194 Ų194141.3 Ų141.396%0.95679%0.791SS**  cis-145.81803.8-76.5-178.261.400112.6
777R28.3Very low32.6Very low219 Ų219137.8 Ų137.883%0.82679%0.792SS**  trans-101.7-164.9-173.1-123.6-169.7168.7-178.1-2.3111.9
778P43.8Very low32.1Very low126 Ų126134.4 Ų134.482%0.81880%0.795SS**  cis-131179.412.740-20.4000116.1
779G27Very low31.2Very low50 Ų50133.3 Ų133.352%0.51580%0.803SS.*  cis165.5178.9-8.500000114.6
780Q33.5Very low31.1Very low194 Ų194139.2 Ų139.291%0.90781%0.81SS**  trans67.3144.7169-58.1-176.63.600119
781N27Very low31Very low162 Ų162138.8 Ų138.887%0.86681%0.814SS**  cis-162.7174.5-27.5-163.716.8000110.8
782A27.2Very low30.9Very low85 Ų85140.1 Ų140.170%0.70282%0.819SS**  trans90.4163.2167.600000120
783Q30.3Very low31Very low178 Ų178137 Ų13783%0.83281%0.814SS**  trans-160.5174-159.8-84.4-76.9-35.900108.1
784P51.1Low30.6Very low106 Ų106139.9 Ų139.969%0.68882%0.818SS**  cis-133.7-169.1-8.337.1-17.1000114.8
785A27.4Very low29.9Very low82 Ų82138.3 Ų138.368%0.67882%0.817SS**  trans85.4134.6142.200000123.2
786Y28.3Very low29.9Very low239 Ų239139.8 Ų139.894%0.93782%0.822SS**  trans10.6138.6157.3-64.4-83.5000123
787G27.1Very low30Very low79 Ų79138.8 Ų138.881%0.81481%0.812SS**  trans146.1120.5150.100000114.3
788G25.8Very low30.4Very low89 Ų89134.5 Ų134.592%0.91881%0.813SS**  trans-84167.9174.700000113.2
789G27.1Very low29.5Very low83 Ų83135.4 Ų135.486%0.85681%0.806SS**  trans178.4124.5177.400000114.9
790R25.3Very low30.4Very low259 Ų259138.1 Ų138.198%0.97781%0.814SS**  trans-70.1146-178.6-44.7168.7-168.4-92.35.2112.7
791G27.9Very low30.1Very low68 Ų68137.8 Ų137.870%0.70181%0.813SS**  trans169.3118.4160.200000110.3
792R26.4Very low30.1Very low264 Ų264134.9 Ų134.9100%0.99681%0.811SS**  65.5111.459.1-77.1-162.8169.6-144.7-0.7114.3
793G30.5Very low30Very low70 Ų70134.5 Ų134.572%0.72282%0.816SS**  trans156.98317700000108.9
794Q27.8Very low29.7Very low186 Ų186135.6 Ų135.687%0.86982%0.821SS**  65.2110.171.3-71.6-89.25800114.6
795A27.4Very low28.6Very low99 Ų99135.4 Ų135.482%0.81883%0.828SS**  trans54.8108.8146.800000121
796A30Very low28.6Very low104 Ų104134.8 Ų134.886%0.8683%0.83SS**  trans-140.8112.6141.600000109.6
797K31.1Very low28.5Very low172 Ų172134.9 Ų134.975%0.74883%0.829SS**  trans-80.4141.5160.4-101.9-161.2172-154.40107.4E799K797-E799 IonicContact NZ-OE2 2.77Å; K797-E799 PolarHBondContact NZ-OE2 2.99Å
798P36.1Very low28.5Very low130 Ų130136.6 Ų136.684%0.84482%0.823SS**  -135.2-171.590.338.9-26.9000114.1
799E25.3Very low28.6Very low144 Ų144138.3 Ų138.367%0.67382%0.815SS**  trans-144.9154.8-162.4178.6-175.1138.100107.4K797K797-E799 IonicContact NZ-OE2 2.77Å; K797-E799 PolarHBondContact NZ-OE2 2.99Å
800P44.9Very low28.6Very low107 Ų107140 Ų14070%0.69581%0.809SS**  cis-129.6166.5-28.237.2-22.4000113.8
801Q28.5Very low28.8Very low187 Ų187134.7 Ų134.787%0.87480%0.795SS**  177135.6117.7-100.1-172.4-8.400114.9
802A27.1Very low29.1Very low101 Ų101138.1 Ų138.184%0.83579%0.793SS**  trans38.2133.214600000123.8
803G25.5Very low29.5Very low77 Ų77133 Ų13379%0.79478%0.781SS**  trans88.8150.416000000115.8
804E23Very low29.5Very low202 Ų202137 Ų13794%0.94478%0.78SS**  cis-156.7-169.9-16.7-146.4179.1146.300109.1
805A27.5Very low30Very low101 Ų101134 Ų13484%0.83578%0.775SS**  trans-73.3164.9-177.300000114.2
806G28.1Very low30.5Very low70 Ų70134.6 Ų134.672%0.72277%0.771SS**  cis151.1175.9-6.100000113.9
807R27.3Very low30.4Very low241 Ų241137 Ų13791%0.90977%0.769SS**  trans82.6160.9160.7-152178.8-168.8-119.61.6120.2
808V25.6Very low30.4Very low115 Ų115135.1 Ų135.170%0.69777%0.772SS**  trans9792.5162.2-175.20000116.1
809V27.5Very low30.3Very low125 Ų125135.5 Ų135.576%0.75877%0.774SS**  99.3148.485.9150.60000113
810T27.8Very low30.7Very low117 Ų117131.8 Ų131.872%0.71877%0.765SS**  cis-104.9-125.212.5-35.30000114.8
811Q29.1Very low30.5Very low148 Ų148132.6 Ų132.669%0.69277%0.773SS**  cis-148.9176.712.1-127.6-58.387.400112.6
812Q35.6Very low31.1Very low140 Ų140124.4 Ų124.465%0.65474%0.736SS**  trans-95.8173.7-171.9-59170.580.100113.5
813Q33.1Very low32.2Very low157 Ų157124.8 Ų124.873%0.73472%0.723SS**  cis-150.6-151.721.8-153.6167.1-8.400114.4
814E32.2Very low33.3Very low154 Ų154126 Ų12672%0.7272%0.717SS**  trans-105.3-145.3-138.5-65.5161.18000120.5
815T37.8Very low35Very low124 Ų124121.4 Ų121.476%0.76170%0.695SS**  trans-136.6-173.6-133.965.60000115.5
816P37.7Very low36.2Very low111 Ų111121 Ų12172%0.72168%0.679SS**  -153.4160.8108.639.7-21.9000119.9
817N28.3Very low37.7Very low154 Ų154122.7 Ų122.782%0.82468%0.677SS**  trans68.5108.3146.2-67.6-12.4000124.4
818T30Very low39.4Very low133 Ų133118 Ų11882%0.81667%0.67SS**  trans-148.1147.6130.328.50000109.6
819P35.6Very low41.3Very low137 Ų137113.3 Ų113.389%0.8964%0.641SS**  trans-78130.9-177.230.9-33.9000111.6
820S33.3Very low43.8Very low67 Ų67113.2 Ų113.247%0.46964%0.636SS.*  trans-131.9119.3174.457.90000112S822S820-S822 VanDerWaalsContact O-CB 3.28Å; S820-S822 WeakPolarHBondContact O-CB 3.41Å; S820-S822 PolarHBondContact O-N 3.15Å; S820-S822 PolarHBondContact O-OG 3.29Å; S820-S822 PolarHBondContact OG-OG 2.82Å
821S40.1Very low46.5Very low124 Ų124112.1 Ų112.187%0.86762%0.623SS**  trans-66.3104.8164.9-174.40000107.7
822S40.6Very low49Very low15 Ų15113.1 Ų113.111%0.10563%0.627CS.*  trans-140.376.7-15552.20000112.7S820 P824S820-S822 VanDerWaalsContact O-CB 3.28Å; S820-S822 WeakPolarHBondContact O-CB 3.41Å; S820-S822 PolarHBondContact O-N 3.15Å; S820-S822 PolarHBondContact O-OG 3.29Å; S820-S822 PolarHBondContact OG-OG 2.82Å; S822-P824 WeakPolarHBondContact O-CD 3.3Å; S822-P824 VanDerWaalsContact O-N 3.16Å
823I50Low51.3Low109 Ų109109.4 Ų109.456%0.55962%0.615SS**PPolyproline II helixtrans-54.5116.9171.7-55.6171.8000109R313 Q825 R837R313-I823 WeakPolarHBondContact CD-O 3.18Å; R313-I823 PolarHBondContact NE-O 2.7Å; I823-Q825 PolarHBondContact O-N 3.27Å; I823-R837 PolarHBondContact O-NH1 2.91Å
824P50.2Low53.9Low102 Ų102105.4 Ų105.466%0.66259%0.593SS**PPolyproline II helixtrans-48.5136.8-177.8-29.635.7000112.3S822 R837S822-P824 WeakPolarHBondContact O-CD 3.3Å; S822-P824 VanDerWaalsContact O-N 3.16Å; P824-R837 PolarHBondContact O-NH1 3.1Å
825Q57.3Low56.6Low105 Ų105103 Ų10349%0.49158%0.581SS.*PPolyproline II helixtrans-84121.9162.8-71.1-164.3-98.400107.3I823 E829I823-Q825 PolarHBondContact O-N 3.27Å; Q825-E829 VanDerWaalsContact CA-OE1 3.3Å; Q825-E829 WeakPolarHBondContact CA-OE1 3.45Å
826D53.3Low59Low92 Ų92104.5 Ų104.549%0.49257%0.574SS.*PPolyproline II helixtrans-68.7127.7168.5168.7-9.3000107.2D828 E829D826-D828 PolarHBondContact O-N 2.81Å; D826-D828 PolarHBondContact OD1-N 2.9Å; D826-E829 HydrophobicContact CB-CG 3.99Å; D826-E829 PolarHBondContact N-OE1 2.84Å; D826-E829 WeakPolarHBondContact O-CB 3.48Å; D826-E829 WeakPolarHBondContact O-CG 3.33Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-E829 VanDerWaalsContact O-N 3.07Å
827P60.3Low61.6Low106 Ų106102.5 Ų102.569%0.68855%0.552SS**THydrogen-bonded Turntrans-59.6-27.5-173.924.5-35.2000113E829 R834P827-E829 VanDerWaalsContact C-N 3.34Å; P827-R834 PolarHBondContact O-NH2 2.99Å
828D63.1Low64.7Low142 Ų14299.8 Ų99.876%0.75954%0.537SS*.THydrogen-bonded Turntrans-906.5-178.9-67.1-22.1000112.8D826 D830D826-D828 PolarHBondContact O-N 2.81Å; D826-D828 PolarHBondContact OD1-N 2.9Å; D828-D830 PolarHBondContact O-N 3.35Å; D828-D830 VanDerWaalsContact O-N 3.08Å
829E64.8Low67.8Low18 Ų1899.4 Ų99.48%0.08452%0.524CS..  trans-59.2113.3172.9-81.9176.9-122.400112.1Q825 D826 P827 T833 R834 R837Q825-E829 VanDerWaalsContact CA-OE1 3.3Å; Q825-E829 WeakPolarHBondContact CA-OE1 3.45Å; D826-E829 HydrophobicContact CB-CG 3.99Å; D826-E829 PolarHBondContact N-OE1 2.84Å; D826-E829 WeakPolarHBondContact O-CB 3.48Å; D826-E829 WeakPolarHBondContact O-CG 3.33Å; D826-E829 PolarHBondContact O-N 3.35Å; D826-E829 VanDerWaalsContact O-N 3.07Å; P827-E829 VanDerWaalsContact C-N 3.34Å; E829-T833 HydrophobicContact CB-CG2 4.48Å; E829-T833 HydrophobicContact CG-CG2 4.07Å; E829-R834 HydrophobicContact CB-CG 4Å; E829-R834 PolarHBondContact O-NE 3.05Å; E829-R834 PolarHBondContact O-NH2 2.87Å; E829-R834 VanDerWaalsContact O-NH2 3.15Å; E829-R837 IonicContact OE1-CZ 2.86Å; E829-R837 VanDerWaalsContact OE1-CZ 3.23Å; E829-R837 IonicContact OE1-NH1 3.68Å; E829-R837 IonicContact OE1-NH2 2.68Å; E829-R837 PolarHBondContact OE1-NH2 2.81Å; E829-R837 IonicContact OE2-CZ 2.74Å; E829-R837 IonicContact OE2-NE 3.58Å; E829-R837 PolarHBondContact OE2-NE 2.88Å; E829-R837 IonicContact OE2-NH2 2.62Å; E829-R837 PolarHBondContact OE2-NH2 2.87Å
830D79.8Confident70.6Confident122 Ų12296 Ų9665%0.65250%0.498SS*.  trans-46.6143.3165.6-72.6-56.6000111.8D828 E832 T833 R834D828-D830 PolarHBondContact O-N 3.35Å; D828-D830 VanDerWaalsContact O-N 3.08Å; D830-E832 PolarHBondContact O-N 3.08Å; D830-E832 VanDerWaalsContact O-N 3.13Å; D830-T833 WeakPolarHBondContact O-CA 3.28Å; D830-T833 VanDerWaalsContact O-CB 3.32Å; D830-T833 WeakPolarHBondContact O-CB 3.48Å; D830-T833 PolarHBondContact O-N 2.83Å; D830-R834 PolarHBondContact O-N 3.24Å; D830-R834 VanDerWaalsContact O-N 3.17Å
831E84.9Confident73.5Confident95 Ų9597.5 Ų97.544%0.44450%0.498SS..Hα-helixtrans-58.5-31.3-178.3-175.161-155.500112.1T833 R834 Q835E831-T833 VanDerWaalsContact C-N 3.35Å; E831-T833 PolarHBondContact O-N 3.34Å; E831-R834 WeakPolarHBondContact O-CB 3.26Å; E831-R834 PolarHBondContact O-N 3.2Å; E831-Q835 HydrophobicContact CG-CG 4.43Å; E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.44Å; E831-Q835 PolarHBondContact O-N 2.89Å; E831-Q835 PolarHBondContact OE1-NE2 2.81Å
832E81.7Confident76.1Confident168 Ų16897 Ų9779%0.78548%0.482SS*.Hα-helixtrans-60.7-40.9172.7-174171.3-172.100112.4D830 R834 Q835 Y836D830-E832 PolarHBondContact O-N 3.08Å; D830-E832 VanDerWaalsContact O-N 3.13Å; E832-R834 VanDerWaalsContact C-N 3.33Å; E832-R834 PolarHBondContact O-N 3.23Å; E832-Q835 PolarHBondContact O-N 3.19Å; E832-Y836 WeakPolarHBondContact O-CB 3.48Å; E832-Y836 PolarHBondContact O-N 3.01Å
833T83.9Confident78.7Confident63 Ų63102.2 Ų102.239%0.38750%0.504SS..Hα-helixtrans-64.9-38175.1-60.70000111.2E829 D830 E831 Y836 R837E829-T833 HydrophobicContact CB-CG2 4.48Å; E829-T833 HydrophobicContact CG-CG2 4.07Å; D830-T833 WeakPolarHBondContact O-CA 3.28Å; D830-T833 VanDerWaalsContact O-CB 3.32Å; D830-T833 WeakPolarHBondContact O-CB 3.48Å; D830-T833 PolarHBondContact O-N 2.83Å; E831-T833 VanDerWaalsContact C-N 3.35Å; E831-T833 PolarHBondContact O-N 3.34Å; T833-Y836 PolarHBondContact O-N 2.9Å; T833-R837 WeakPolarHBondContact O-CB 3.43Å; T833-R837 PolarHBondContact O-N 3.42Å
834R87.4Confident80.8Confident73 Ų73103.4 Ų103.428%0.27551%0.505SS..Hα-helixtrans-66.5-44.9176.2-59.2179.1-179.9-178.6-1.6111.6P827 E829 D830 E831 E832 R837 L838P827-R834 PolarHBondContact O-NH2 2.99Å; E829-R834 HydrophobicContact CB-CG 4Å; E829-R834 PolarHBondContact O-NE 3.05Å; E829-R834 PolarHBondContact O-NH2 2.87Å; E829-R834 VanDerWaalsContact O-NH2 3.15Å; D830-R834 PolarHBondContact O-N 3.24Å; D830-R834 VanDerWaalsContact O-N 3.17Å; E831-R834 WeakPolarHBondContact O-CB 3.26Å; E831-R834 PolarHBondContact O-N 3.2Å; E832-R834 VanDerWaalsContact C-N 3.33Å; E832-R834 PolarHBondContact O-N 3.23Å; R834-R837 PolarHBondContact O-N 3.06Å; R834-L838 PolarHBondContact O-N 2.86Å
835Q88.9Confident83.1Confident102 Ų102107.1 Ų107.148%0.47751%0.506SS..Hα-helixtrans-63.8-39.1174.6-65.3-61.3-32.400111.7E831 E832 L838 K839E831-Q835 HydrophobicContact CG-CG 4.43Å; E831-Q835 VanDerWaalsContact O-CG 3.29Å; E831-Q835 WeakPolarHBondContact O-CG 3.44Å; E831-Q835 PolarHBondContact O-N 2.89Å; E831-Q835 PolarHBondContact OE1-NE2 2.81Å; E832-Q835 PolarHBondContact O-N 3.19Å; Q835-L838 PolarHBondContact O-N 2.8Å; Q835-K839 VanDerWaalsContact O-CB 3.31Å; Q835-K839 WeakPolarHBondContact O-CB 3.2Å; Q835-K839 PolarHBondContact O-N 3.18Å
836Y87.8Confident85Confident156 Ų156106.3 Ų106.361%0.61251%0.505SS*.Hα-helixtrans-65.7-40.2175.1-175.9-114.8000112.6E832 T833 K839 I840E832-Y836 WeakPolarHBondContact O-CB 3.48Å; E832-Y836 PolarHBondContact O-N 3.01Å; T833-Y836 PolarHBondContact O-N 2.9Å; Y836-K839 PolarHBondContact O-N 3.21Å; Y836-I840 HydrophobicContact CD1-CD1 3.96Å; Y836-I840 HydrophobicContact CE1-CD1 3.52Å; Y836-I840 HydrophobicContact CE2-CD1 4.35Å; Y836-I840 WeakPolarHBondContact O-CG1 3.39Å; Y836-I840 PolarHBondContact O-N 2.78Å
837R93.3Very high86.9Confident69 Ų69110.6 Ų110.626%0.2651%0.514SS..Hα-helixtrans-60.9-47.9173.6-173-178.1-61.1-143.4-2.9111.5I823 P824 E829 T833 R834 K839 I840 E841I823-R837 PolarHBondContact O-NH1 2.91Å; P824-R837 PolarHBondContact O-NH1 3.1Å; E829-R837 IonicContact OE1-CZ 2.86Å; E829-R837 VanDerWaalsContact OE1-CZ 3.23Å; E829-R837 IonicContact OE1-NH1 3.68Å; E829-R837 IonicContact OE1-NH2 2.68Å; E829-R837 PolarHBondContact OE1-NH2 2.81Å; E829-R837 IonicContact OE2-CZ 2.74Å; E829-R837 IonicContact OE2-NE 3.58Å; E829-R837 PolarHBondContact OE2-NE 2.88Å; E829-R837 IonicContact OE2-NH2 2.62Å; E829-R837 PolarHBondContact OE2-NH2 2.87Å; T833-R837 WeakPolarHBondContact O-CB 3.43Å; T833-R837 PolarHBondContact O-N 3.42Å; R834-R837 PolarHBondContact O-N 3.06Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.43Å; R837-I840 PolarHBondContact O-N 3.02Å; R837-E841 PolarHBondContact O-N 3.31Å
838L92.9Very high88.5Confident98 Ų98111.7 Ų111.751%0.51351%0.51SS..Hα-helixtrans-60.8-40.9176.7-176.263.5000111.7R834 Q835 I840 E841 E842R834-L838 PolarHBondContact O-N 2.86Å; Q835-L838 PolarHBondContact O-N 2.8Å; L838-I840 PolarHBondContact O-N 3.21Å; L838-E841 WeakPolarHBondContact O-CB 3.46Å; L838-E841 PolarHBondContact O-N 2.94Å; L838-E841 VanDerWaalsContact O-N 3.16Å; L838-E842 WeakPolarHBondContact O-CB 3.44Å; L838-E842 PolarHBondContact O-N 2.87Å
839K94.8Very high90.1Very high124 Ų124109.8 Ų109.854%0.53950%0.496SS..Hα-helixtrans-65.4-33.8176.5-169.4171.7-174170.90113.2Q835 Y836 R837 Q843Q835-K839 VanDerWaalsContact O-CB 3.31Å; Q835-K839 WeakPolarHBondContact O-CB 3.2Å; Q835-K839 PolarHBondContact O-N 3.18Å; Y836-K839 PolarHBondContact O-N 3.21Å; R837-K839 VanDerWaalsContact C-N 3.33Å; R837-K839 PolarHBondContact O-N 3.43Å; K839-Q843 WeakPolarHBondContact O-CB 3.48Å; K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 2.78Å
840I93.6Very high91.7Very high65 Ų65113.3 Ų113.333%0.33352%0.515SS..Hα-helixtrans-68.4-40.1170.8-72.6167.8000111Y836 R837 L838 Q843 K844Y836-I840 HydrophobicContact CD1-CD1 3.96Å; Y836-I840 HydrophobicContact CE1-CD1 3.52Å; Y836-I840 HydrophobicContact CE2-CD1 4.35Å; Y836-I840 WeakPolarHBondContact O-CG1 3.39Å; Y836-I840 PolarHBondContact O-N 2.78Å; R837-I840 PolarHBondContact O-N 3.02Å; L838-I840 PolarHBondContact O-N 3.21Å; I840-Q843 PolarHBondContact O-N 2.78Å; I840-K844 HydrophobicContact CG2-CD 4.42Å; I840-K844 WeakPolarHBondContact O-CG 3.35Å; I840-K844 PolarHBondContact O-N 2.79Å
841E94.1Very high92.5Very high99 Ų99112.4 Ų112.446%0.46351%0.51SS..Hα-helixtrans-66.3-42.3177.5-168.2160.5-14300111.9R837 L838 K844 R845R837-E841 PolarHBondContact O-N 3.31Å; L838-E841 WeakPolarHBondContact O-CB 3.46Å; L838-E841 PolarHBondContact O-N 2.94Å; L838-E841 VanDerWaalsContact O-N 3.16Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.44Å; E841-R845 PolarHBondContact O-N 3.26Å
842E95.1Very high93.1Very high115 Ų115115 Ų11554%0.53752%0.52SS..Hα-helixtrans-60.5-46.5171-176.9-179.5-132.300111.9L838 K844 R845 L846L838-E842 WeakPolarHBondContact O-CB 3.44Å; L838-E842 PolarHBondContact O-N 2.87Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 2.92Å; E842-R845 PolarHBondContact O-N 3.38Å; E842-L846 HydrophobicContact CG-CD1 4.04Å; E842-L846 HydrophobicContact CG-CG 4.46Å; E842-L846 WeakPolarHBondContact O-CG 3.42Å; E842-L846 PolarHBondContact O-N 3.01Å
843Q94.8Very high93.8Very high124 Ų124116.1 Ų116.158%0.57952%0.516SS*.Hα-helixtrans-64.5-32.1176-77.1-168.9-0.600113.2K839 I840 R847K839-Q843 WeakPolarHBondContact O-CB 3.48Å; K839-Q843 WeakPolarHBondContact O-CG 3.39Å; K839-Q843 PolarHBondContact O-N 2.78Å; I840-Q843 PolarHBondContact O-N 2.78Å; Q843-R847 VanDerWaalsContact O-CB 3.23Å; Q843-R847 WeakPolarHBondContact O-CB 3.37Å; Q843-R847 PolarHBondContact O-N 2.85Å
844K95.3Very high94.5Very high133 Ų133119.7 Ų119.758%0.57853%0.527SS*.Hα-helixtrans-64.3-49.9170.6-74.9172.5178.5-179.10110.7I840 E841 E842 R847 E848I840-K844 HydrophobicContact CG2-CD 4.42Å; I840-K844 WeakPolarHBondContact O-CG 3.35Å; I840-K844 PolarHBondContact O-N 2.79Å; E841-K844 WeakPolarHBondContact O-CB 3.46Å; E841-K844 PolarHBondContact O-N 3.44Å; E842-K844 VanDerWaalsContact C-N 3.3Å; E842-K844 PolarHBondContact O-N 2.92Å; K844-R847 WeakPolarHBondContact O-CB 3.44Å; K844-R847 PolarHBondContact O-N 3.43Å; K844-E848 PolarHBondContact O-N 3.2Å
845R97.6Very high94.9Very high181 Ų181119.1 Ų119.168%0.68353%0.527SS*.Hα-helixtrans-58.3-48.6177.9178.9179.4170.5173.6-1.4112.2E841 E842 R847 E848 E849E841-R845 PolarHBondContact O-N 3.26Å; E842-R845 PolarHBondContact O-N 3.38Å; R845-R847 VanDerWaalsContact C-N 3.3Å; R845-R847 PolarHBondContact O-N 3.13Å; R845-E848 WeakPolarHBondContact O-CB 3.28Å; R845-E848 PolarHBondContact O-N 2.84Å; R845-E849 PolarHBondContact O-N 3.46Å
846L97.8Very high95.3Very high88 Ų88119.8 Ų119.846%0.46153%0.533SS..Hα-helixtrans-61.9-37.8177.2-71.5170.8000112E842 I850E842-L846 HydrophobicContact CG-CD1 4.04Å; E842-L846 HydrophobicContact CG-CG 4.46Å; E842-L846 WeakPolarHBondContact O-CG 3.42Å; E842-L846 PolarHBondContact O-N 3.01Å; L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CD1 3.43Å; L846-I850 WeakPolarHBondContact O-CG1 3.44Å; L846-I850 PolarHBondContact O-N 3.28Å
847R92.3Very high95.7Very high181 Ų181120.3 Ų120.368%0.68353%0.534SS*.Hα-helixtrans-66.3-40.8175177.6176.2175.3162.4-2112.1Q843 K844 R845 L851Q843-R847 VanDerWaalsContact O-CB 3.23Å; Q843-R847 WeakPolarHBondContact O-CB 3.37Å; Q843-R847 PolarHBondContact O-N 2.85Å; K844-R847 WeakPolarHBondContact O-CB 3.44Å; K844-R847 PolarHBondContact O-N 3.43Å; R845-R847 VanDerWaalsContact C-N 3.3Å; R845-R847 PolarHBondContact O-N 3.13Å; R847-L851 HydrophobicContact CG-CD1 4.28Å; R847-L851 WeakPolarHBondContact O-CG 3.44Å; R847-L851 PolarHBondContact O-N 3.4Å
848E95.4Very high95.9Very high129 Ų129123.7 Ų123.760%0.60355%0.547SS*.Hα-helixtrans-63.9-46174.7-167.8-165.1141.600111.2K844 R845 I850 L851 K852K844-E848 PolarHBondContact O-N 3.2Å; R845-E848 WeakPolarHBondContact O-CB 3.28Å; R845-E848 PolarHBondContact O-N 2.84Å; E848-I850 PolarHBondContact O-N 3.41Å; E848-L851 CarbonylContact O-C 3.59Å; E848-L851 WeakPolarHBondContact O-CA 3.22Å; E848-L851 WeakPolarHBondContact O-CB 3.47Å; E848-L851 PolarHBondContact O-N 2.65Å; E848-K852 WeakPolarHBondContact O-CB 3.3Å; E848-K852 PolarHBondContact O-N 3.28Å
849E96.4Very high96.1Very high102 Ų102124.4 Ų124.448%0.47755%0.548SS..Hα-helixtrans-61.6-42.6177.7-167.4-174.9143.700111.9R845 L851 K852 R853R845-E849 PolarHBondContact O-N 3.46Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.3Å; E849-K852 PolarHBondContact O-N 2.99Å; E849-R853 WeakPolarHBondContact O-CB 3.34Å; E849-R853 PolarHBondContact O-N 2.86Å
850I97.4Very high96.1Very high92 Ų92124.1 Ų124.147%0.47255%0.55SS..Hα-helixtrans-62.3-37.2173.5-71.7166.3000111.4L846 E848 K854L846-I850 WeakPolarHBondContact O-CB 3.3Å; L846-I850 WeakPolarHBondContact O-CD1 3.43Å; L846-I850 WeakPolarHBondContact O-CG1 3.44Å; L846-I850 PolarHBondContact O-N 3.28Å; E848-I850 PolarHBondContact O-N 3.41Å; I850-K854 HydrophobicContact CG2-CD 4.07Å; I850-K854 WeakPolarHBondContact O-CB 3.25Å; I850-K854 WeakPolarHBondContact O-CD 3.47Å; I850-K854 VanDerWaalsContact O-CG 3.23Å; I850-K854 WeakPolarHBondContact O-CG 3.39Å; I850-K854 PolarHBondContact O-N 2.93Å; I850-K854 VanDerWaalsContact O-N 3.1Å
851L96.8Very high96Very high103 Ų103125.9 Ų125.954%0.53956%0.556SS.*Hα-helixtrans-67.2-46.7173.6-76.2165.4000111.1R847 E848 E849 R853 K854 E855R847-L851 HydrophobicContact CG-CD1 4.28Å; R847-L851 WeakPolarHBondContact O-CG 3.44Å; R847-L851 PolarHBondContact O-N 3.4Å; E848-L851 CarbonylContact O-C 3.59Å; E848-L851 WeakPolarHBondContact O-CA 3.22Å; E848-L851 WeakPolarHBondContact O-CB 3.47Å; E848-L851 PolarHBondContact O-N 2.65Å; E849-L851 VanDerWaalsContact C-N 3.3Å; E849-L851 PolarHBondContact O-N 3.3Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.16Å; L851-K854 CarbonylContact O-C 3.6Å; L851-K854 PolarHBondContact O-N 2.88Å; L851-K854 VanDerWaalsContact O-N 3.16Å; L851-E855 WeakPolarHBondContact O-CB 3.46Å; L851-E855 PolarHBondContact O-N 3.39Å
852K98.1Very high95.9Very high151 Ų151123.9 Ų123.966%0.65756%0.557SS**Hα-helixtrans-61.3-38177.7-167.1171.8-175.6172.80112.6E848 E849 E855 L856E848-K852 WeakPolarHBondContact O-CB 3.3Å; E848-K852 PolarHBondContact O-N 3.28Å; E849-K852 PolarHBondContact O-N 2.99Å; K852-E855 WeakPolarHBondContact O-CB 3.41Å; K852-E855 PolarHBondContact O-N 3.34Å; K852-L856 WeakPolarHBondContact O-CB 3.29Å; K852-L856 PolarHBondContact O-N 2.76Å
853R96.7Very high95.9Very high190 Ų190120.2 Ų120.272%0.71755%0.55SS**Hα-helixtrans-72.4-33.1175.1-163.1169.6-172.7159.31.3112.7E849 L851 R857E849-R853 WeakPolarHBondContact O-CB 3.34Å; E849-R853 PolarHBondContact O-N 2.86Å; L851-R853 VanDerWaalsContact C-N 3.35Å; L851-R853 PolarHBondContact O-N 3.16Å; R853-R857 WeakPolarHBondContact O-CB 3.19Å; R853-R857 PolarHBondContact O-N 3.12Å; R853-R857 VanDerWaalsContact O-N 3.16Å
854K97.4Very high95.8Very high138 Ų138118.8 Ų118.860%0.655%0.55SS*.Hα-helixtrans-72.3-34.8171-75.2170.2-179.4174.10112.1I850 L851 R858I850-K854 HydrophobicContact CG2-CD 4.07Å; I850-K854 WeakPolarHBondContact O-CB 3.25Å; I850-K854 WeakPolarHBondContact O-CD 3.47Å; I850-K854 VanDerWaalsContact O-CG 3.23Å; I850-K854 WeakPolarHBondContact O-CG 3.39Å; I850-K854 PolarHBondContact O-N 2.93Å; I850-K854 VanDerWaalsContact O-N 3.1Å; L851-K854 CarbonylContact O-C 3.6Å; L851-K854 PolarHBondContact O-N 2.88Å; L851-K854 VanDerWaalsContact O-N 3.16Å; K854-R858 WeakPolarHBondContact O-CB 3.18Å; K854-R858 PolarHBondContact O-N 2.88Å
855E96.9Very high95.6Very high62 Ų62120.2 Ų120.229%0.2955%0.552SS.*Hα-helixtrans-61.7-56.1173.3-176.757.5-13100110.3L851 K852 R857 R858 Q859L851-E855 WeakPolarHBondContact O-CB 3.46Å; L851-E855 PolarHBondContact O-N 3.39Å; K852-E855 WeakPolarHBondContact O-CB 3.41Å; K852-E855 PolarHBondContact O-N 3.34Å; E855-R857 VanDerWaalsContact C-N 3.32Å; E855-R857 PolarHBondContact O-N 2.68Å; E855-R858 CarbonylContact O-C 3.36Å; E855-R858 WeakPolarHBondContact O-CA 3.49Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 2.84Å; E855-R858 IonicContact OE1-CZ 2.68Å; E855-R858 IonicContact OE1-NH1 2.67Å; E855-R858 IonicContact OE1-NH2 3.59Å; E855-R858 PolarHBondContact OE1-NH2 3.41Å; E855-R858 IonicContact OE2-CZ 2.65Å; E855-R858 IonicContact OE2-NH1 2.64Å; E855-R858 PolarHBondContact OE2-NH1 3.45Å; E855-R858 IonicContact OE2-NH2 2.67Å; E855-R858 PolarHBondContact OE2-NH2 3.46Å; E855-Q859 WeakPolarHBondContact O-CG 3.42Å; E855-Q859 PolarHBondContact O-N 3.35Å; E855-Q859 PolarHBondContact OE1-NE2 2.82Å
856L97.3Very high95.5Very high116 Ų116118 Ų11861%0.60755%0.547SS*.Hα-helixtrans-55.6-44177-17763000112.2K852 R858 Q859 M860K852-L856 WeakPolarHBondContact O-CB 3.29Å; K852-L856 PolarHBondContact O-N 2.76Å; L856-R858 VanDerWaalsContact C-N 3.32Å; L856-R858 PolarHBondContact O-N 3.39Å; L856-Q859 PolarHBondContact O-N 3.09Å; L856-M860 WeakPolarHBondContact O-CB 3.48Å; L856-M860 PolarHBondContact O-N 2.75Å
857R96.1Very high95.4Very high167 Ų167121.4 Ų121.463%0.6356%0.558SS**Hα-helixtrans-62-37.4174.5-177.3175.9-73.1-153.7-3.5112.3R853 E855 Q861R853-R857 WeakPolarHBondContact O-CB 3.19Å; R853-R857 PolarHBondContact O-N 3.12Å; R853-R857 VanDerWaalsContact O-N 3.16Å; E855-R857 VanDerWaalsContact C-N 3.32Å; E855-R857 PolarHBondContact O-N 2.68Å; R857-Q861 WeakPolarHBondContact O-CB 3.46Å; R857-Q861 WeakPolarHBondContact O-CG 3.3Å; R857-Q861 PolarHBondContact O-N 2.81Å
858R96.8Very high95.4Very high140 Ų140116.3 Ų116.353%0.52854%0.542SS..Hα-helixtrans-69.6-39.9176.1-168.1176.177.4-98.22.1111.6K854 E855 L856 Q861 A862K854-R858 WeakPolarHBondContact O-CB 3.18Å; K854-R858 PolarHBondContact O-N 2.88Å; E855-R858 CarbonylContact O-C 3.36Å; E855-R858 WeakPolarHBondContact O-CA 3.49Å; E855-R858 WeakPolarHBondContact O-CB 3.49Å; E855-R858 PolarHBondContact O-N 2.84Å; E855-R858 IonicContact OE1-CZ 2.68Å; E855-R858 IonicContact OE1-NH1 2.67Å; E855-R858 IonicContact OE1-NH2 3.59Å; E855-R858 PolarHBondContact OE1-NH2 3.41Å; E855-R858 IonicContact OE2-CZ 2.65Å; E855-R858 IonicContact OE2-NH1 2.64Å; E855-R858 PolarHBondContact OE2-NH1 3.45Å; E855-R858 IonicContact OE2-NH2 2.67Å; E855-R858 PolarHBondContact OE2-NH2 3.46Å; L856-R858 VanDerWaalsContact C-N 3.32Å; L856-R858 PolarHBondContact O-N 3.39Å; R858-Q861 PolarHBondContact O-N 3.32Å; R858-A862 VanDerWaalsContact O-CB 3.28Å; R858-A862 WeakPolarHBondContact O-CB 3.45Å; R858-A862 PolarHBondContact O-N 3.06Å
859Q96.9Very high95.3Very high112 Ų112115 Ų11552%0.52354%0.538SS..Hα-helixtrans-64.1-44.5175.6-68179.210.800111.2E855 L856 A862 G863E855-Q859 WeakPolarHBondContact O-CG 3.42Å; E855-Q859 PolarHBondContact O-N 3.35Å; E855-Q859 PolarHBondContact OE1-NE2 2.82Å; L856-Q859 PolarHBondContact O-N 3.09Å; Q859-A862 PolarHBondContact O-N 3.17Å; Q859-G863 PolarHBondContact O-N 3.01Å
860M94.5Very high95.1Very high119 Ų119114.6 Ų114.659%0.58654%0.539SS*.Hα-helixtrans-58.8-48.2172.8-170.9-169.682.800111.8L856 A862 G863 V864L856-M860 WeakPolarHBondContact O-CB 3.48Å; L856-M860 PolarHBondContact O-N 2.75Å; M860-A862 VanDerWaalsContact C-N 3.33Å; M860-A862 PolarHBondContact O-N 2.8Å; M860-G863 PolarHBondContact O-N 2.88Å; M860-V864 WeakPolarHBondContact O-CG2 3.34Å; M860-V864 PolarHBondContact O-N 2.89Å
861Q93.4Very high94.8Very high101 Ų101116.2 Ų116.247%0.47255%0.545SS..Hα-helixtrans-64.9-33.9176.7-74.8-179.3-400113.1R857 R858 R865R857-Q861 WeakPolarHBondContact O-CB 3.46Å; R857-Q861 WeakPolarHBondContact O-CG 3.3Å; R857-Q861 PolarHBondContact O-N 2.81Å; R858-Q861 PolarHBondContact O-N 3.32Å; Q861-R865 WeakPolarHBondContact O-CB 3.42Å; Q861-R865 WeakPolarHBondContact O-CG 3.29Å; Q861-R865 PolarHBondContact O-N 2.99Å
862A90.1Very high94.6Very high57 Ų57118.4 Ų118.447%0.47155%0.546SS..Hα-helixtrans-70-37.2173.100000111.7R858 Q859 M860 K866R858-A862 VanDerWaalsContact O-CB 3.28Å; R858-A862 WeakPolarHBondContact O-CB 3.45Å; R858-A862 PolarHBondContact O-N 3.06Å; Q859-A862 PolarHBondContact O-N 3.17Å; M860-A862 VanDerWaalsContact C-N 3.33Å; M860-A862 PolarHBondContact O-N 2.8Å; A862-K866 VanDerWaalsContact O-CB 3.26Å; A862-K866 WeakPolarHBondContact O-CB 3.29Å; A862-K866 PolarHBondContact O-N 3.02Å
863G95.9Very high94Very high39 Ų39116.3 Ų116.340%0.40254%0.541SS..Hα-helixtrans-63.9-48.4173.500000112.5Q859 M860 R865 K866 K867Q859-G863 PolarHBondContact O-N 3.01Å; M860-G863 PolarHBondContact O-N 2.88Å; G863-R865 PolarHBondContact O-N 3.06Å; G863-K866 WeakPolarHBondContact O-CB 3.22Å; G863-K866 PolarHBondContact O-N 3.22Å; G863-K866 VanDerWaalsContact O-N 3.14Å; G863-K867 PolarHBondContact O-N 2.98Å
864V93.6Very high93.4Very high93 Ų93112.3 Ų112.356%0.56453%0.534SS*.Hα-helixtrans-58.9-48.1174.4172.30000110.8M860 K866 K867 E868M860-V864 WeakPolarHBondContact O-CG2 3.34Å; M860-V864 PolarHBondContact O-N 2.89Å; V864-K866 VanDerWaalsContact C-N 3.31Å; V864-K866 PolarHBondContact O-N 3.3Å; V864-K867 PolarHBondContact O-N 3.14Å; V864-E868 WeakPolarHBondContact O-CB 3.31Å; V864-E868 PolarHBondContact O-N 2.66Å
865R90.6Very high92.4Very high164 Ų164108.8 Ų108.862%0.61953%0.53SS*.Hα-helixtrans-64-32.7175.1-74.5177.4178.1-179.21.3113.3Q861 G863 L869Q861-R865 WeakPolarHBondContact O-CB 3.42Å; Q861-R865 WeakPolarHBondContact O-CG 3.29Å; Q861-R865 PolarHBondContact O-N 2.99Å; G863-R865 PolarHBondContact O-N 3.06Å; R865-L869 WeakPolarHBondContact O-CB 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.35Å; R865-L869 PolarHBondContact O-N 3.07Å
866K95.7Very high91.1Very high135 Ų135112.6 Ų112.659%0.58755%0.548SS*.Hα-helixtrans-66.5-45.5173.6-177-170.3173.6-163.40110.2A862 G863 V864 L869 L870A862-K866 VanDerWaalsContact O-CB 3.26Å; A862-K866 WeakPolarHBondContact O-CB 3.29Å; A862-K866 PolarHBondContact O-N 3.02Å; G863-K866 WeakPolarHBondContact O-CB 3.22Å; G863-K866 PolarHBondContact O-N 3.22Å; G863-K866 VanDerWaalsContact O-N 3.14Å; V864-K866 VanDerWaalsContact C-N 3.31Å; V864-K866 PolarHBondContact O-N 3.3Å; K866-L869 PolarHBondContact O-N 3.39Å; K866-L870 HydrophobicContact CG-CD1 4.17Å; K866-L870 WeakPolarHBondContact O-CD1 3.42Å; K866-L870 PolarHBondContact O-N 3.42Å
867K94.6Very high89.3Confident158 Ų158111.6 Ų111.669%0.68755%0.547SS*.Hα-helixtrans-58.9-50.7174.9-172.7176.5179.2179.10110.4G863 V864 L869 L870 E871G863-K867 PolarHBondContact O-N 2.98Å; V864-K867 PolarHBondContact O-N 3.14Å; K867-L869 VanDerWaalsContact C-N 3.31Å; K867-L869 PolarHBondContact O-N 3.02Å; K867-L870 PolarHBondContact O-N 3.1Å; K867-L870 VanDerWaalsContact O-N 3.16Å; K867-E871 VanDerWaalsContact O-CB 3.3Å; K867-E871 WeakPolarHBondContact O-CB 3.32Å; K867-E871 PolarHBondContact O-N 2.67Å
868E93.4Very high87.4Confident74 Ų74110.6 Ų110.635%0.34655%0.554SS.*Hα-helixtrans-57.1-40.2176.8-168.3-162.5170.300112.7V864 R872V864-E868 WeakPolarHBondContact O-CB 3.31Å; V864-E868 PolarHBondContact O-N 2.66Å; E868-R872 WeakPolarHBondContact O-CB 3.14Å; E868-R872 VanDerWaalsContact O-CD 3.31Å; E868-R872 WeakPolarHBondContact O-CD 3.36Å; E868-R872 WeakPolarHBondContact O-CG 3.39Å; E868-R872 PolarHBondContact O-N 3.16Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.26Å; E868-R872 IonicContact OE1-NE 3.13Å; E868-R872 PolarHBondContact OE1-NE 2.74Å; E868-R872 VanDerWaalsContact OE1-NE 3.13Å; E868-R872 IonicContact OE1-NH2 2.65Å; E868-R872 PolarHBondContact OE1-NH2 2.86Å
869L93.5Very high85.2Confident102 Ų102108.1 Ų108.153%0.53456%0.555SS.*Hα-helixtrans-72.3-35.8177.3-74.8170000113.1R865 K866 K867 L873R865-L869 WeakPolarHBondContact O-CB 3.29Å; R865-L869 WeakPolarHBondContact O-CG 3.35Å; R865-L869 PolarHBondContact O-N 3.07Å; K866-L869 PolarHBondContact O-N 3.39Å; K867-L869 VanDerWaalsContact C-N 3.31Å; K867-L869 PolarHBondContact O-N 3.02Å; L869-L873 WeakPolarHBondContact O-CD1 3.25Å; L869-L873 PolarHBondContact O-N 3.07Å; L869-L873 VanDerWaalsContact O-N 3.07Å
870L92.5Very high82.9Confident93 Ų93107.8 Ų107.849%0.48755%0.553SS.*Hα-helixtrans-68.2-42.3172.2-97.865.1000111.3K866 K867 R872 L873 N874K866-L870 HydrophobicContact CG-CD1 4.17Å; K866-L870 WeakPolarHBondContact O-CD1 3.42Å; K866-L870 PolarHBondContact O-N 3.42Å; K867-L870 PolarHBondContact O-N 3.1Å; K867-L870 VanDerWaalsContact O-N 3.16Å; L870-R872 PolarHBondContact O-N 3.41Å; L870-L873 CarbonylContact O-C 3.42Å; L870-L873 WeakPolarHBondContact O-CA 3.46Å; L870-L873 VanDerWaalsContact O-CB 3.31Å; L870-L873 WeakPolarHBondContact O-CB 3.49Å; L870-L873 PolarHBondContact O-N 2.9Å; L870-N874 PolarHBondContact O-N 3.28Å
871E90.6Very high80.4Confident126 Ų126109.7 Ų109.759%0.58957%0.566SS**Hα-helixtrans-59.9-45175.1-175.1-178.4170.500111.3K867 L873 N874 A875K867-E871 VanDerWaalsContact O-CB 3.3Å; K867-E871 WeakPolarHBondContact O-CB 3.32Å; K867-E871 PolarHBondContact O-N 2.67Å; E871-L873 VanDerWaalsContact C-N 3.28Å; E871-L873 PolarHBondContact O-N 2.76Å; E871-N874 PolarHBondContact O-N 3.41Å; E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.16Å; E871-A875 PolarHBondContact O-N 3.39Å
872R91Very high78Confident149 Ų149112.3 Ų112.356%0.56258%0.578SS**Hα-helixtrans-62.4-31171.7-72.3162.8178.3-115.87.6113.1E868 L870 Q876E868-R872 WeakPolarHBondContact O-CB 3.14Å; E868-R872 VanDerWaalsContact O-CD 3.31Å; E868-R872 WeakPolarHBondContact O-CD 3.36Å; E868-R872 WeakPolarHBondContact O-CG 3.39Å; E868-R872 PolarHBondContact O-N 3.16Å; E868-R872 IonicContact OE1-CZ 3.26Å; E868-R872 VanDerWaalsContact OE1-CZ 3.26Å; E868-R872 IonicContact OE1-NE 3.13Å; E868-R872 PolarHBondContact OE1-NE 2.74Å; E868-R872 VanDerWaalsContact OE1-NE 3.13Å; E868-R872 IonicContact OE1-NH2 2.65Å; E868-R872 PolarHBondContact OE1-NH2 2.86Å; L870-R872 PolarHBondContact O-N 3.41Å; R872-Q876 WeakPolarHBondContact O-CG 3.37Å; R872-Q876 PolarHBondContact O-N 2.84Å
873L87.4Confident75.2Confident108 Ų108113 Ų11357%0.56557%0.574SS**Hα-helixtrans-69.9-48.3172.5-111.288.5000111.2L869 L870 E871 A875 Q876 T877L869-L873 WeakPolarHBondContact O-CD1 3.25Å; L869-L873 PolarHBondContact O-N 3.07Å; L869-L873 VanDerWaalsContact O-N 3.07Å; L870-L873 CarbonylContact O-C 3.42Å; L870-L873 WeakPolarHBondContact O-CA 3.46Å; L870-L873 VanDerWaalsContact O-CB 3.31Å; L870-L873 WeakPolarHBondContact O-CB 3.49Å; L870-L873 PolarHBondContact O-N 2.9Å; E871-L873 VanDerWaalsContact C-N 3.28Å; E871-L873 PolarHBondContact O-N 2.76Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 3.5Å; L873-Q876 CarbonylContact O-C 3.54Å; L873-Q876 WeakPolarHBondContact O-CA 3.4Å; L873-Q876 WeakPolarHBondContact O-CB 3.42Å; L873-Q876 PolarHBondContact O-N 3.26Å; L873-T877 PolarHBondContact O-N 2.79Å
874N84Confident72.3Confident106 Ų106116.3 Ų116.357%0.56759%0.591SS**Hα-helixtrans-65.2-36.1179.7-71-0.7000111.7L870 E871 Q876 T877 N878L870-N874 PolarHBondContact O-N 3.28Å; E871-N874 PolarHBondContact O-N 3.41Å; N874-Q876 VanDerWaalsContact C-N 3.25Å; N874-Q876 PolarHBondContact O-N 2.94Å; N874-T877 WeakPolarHBondContact CA-OG1 3.47Å; N874-T877 PolarHBondContact O-N 3.01Å; N874-T877 PolarHBondContact O-OG1 3.36Å; N874-N878 PolarHBondContact O-N 3Å
875A76.6Confident69.3Low63 Ų63118.7 Ų118.752%0.52161%0.606SS.*Hα-helixtrans-64.6-27170.100000112.8E871 L873 T879E871-A875 VanDerWaalsContact O-CB 3.3Å; E871-A875 WeakPolarHBondContact O-CB 3.16Å; E871-A875 PolarHBondContact O-N 3.39Å; L873-A875 VanDerWaalsContact C-N 3.32Å; L873-A875 PolarHBondContact O-N 3.5Å; A875-T879 WeakPolarHBondContact O-CG2 3.35Å
876Q69.4Low66.9Low143 Ų143116.9 Ų116.967%0.66862%0.615SS**Hα-helixtrans-80.7-43.2172.5-79.6-170.3-6.500112.9R872 L873 N874 N878 T879R872-Q876 WeakPolarHBondContact O-CG 3.37Å; R872-Q876 PolarHBondContact O-N 2.84Å; L873-Q876 CarbonylContact O-C 3.54Å; L873-Q876 WeakPolarHBondContact O-CA 3.4Å; L873-Q876 WeakPolarHBondContact O-CB 3.42Å; L873-Q876 PolarHBondContact O-N 3.26Å; N874-Q876 VanDerWaalsContact C-N 3.25Å; N874-Q876 PolarHBondContact O-N 2.94Å; Q876-N878 VanDerWaalsContact C-N 3.28Å; Q876-N878 PolarHBondContact O-N 3.15Å; Q876-T879 PolarHBondContact O-N 2.97Å; Q876-T879 PolarHBondContact O-OG1 3.12Å
877T57.8Low63.6Low95 Ų95117.5 Ų117.558%0.58363%0.63SS**Hα-helixtrans-60.6-38.8-179.753.50000111.8L873 N874 T879 Q880L873-T877 PolarHBondContact O-N 2.79Å; N874-T877 WeakPolarHBondContact CA-OG1 3.47Å; N874-T877 PolarHBondContact O-N 3.01Å; N874-T877 PolarHBondContact O-OG1 3.36Å; T877-T879 PolarHBondContact O-N 3.06Å; T877-Q880 PolarHBondContact O-N 2.77Å
878N56.8Low60.6Low146 Ų146118.7 Ų118.778%0.78164%0.639SS**THydrogen-bonded Turntrans-68.2-4.7178.1-145.3-1.7000114.2N874 Q876N874-N878 PolarHBondContact O-N 3Å; Q876-N878 VanDerWaalsContact C-N 3.28Å; Q876-N878 PolarHBondContact O-N 3.15Å
879T51.1Low57.4Low88 Ų88121.2 Ų121.254%0.5466%0.659SS.*THydrogen-bonded Turntrans-98.614175.668.10000114.3A875 Q876 T877 R1016A875-T879 WeakPolarHBondContact O-CG2 3.35Å; Q876-T879 PolarHBondContact O-N 2.97Å; Q876-T879 PolarHBondContact O-OG1 3.12Å; T877-T879 PolarHBondContact O-N 3.06Å; T879-R1016 PolarHBondContact O-NH2 2.95Å
880Q47.6Very low54.2Low105 Ų105124.6 Ų124.649%0.49167%0.672SS.*  trans-121.811-172.9-139.9-175.3-106.500117.5T877T877-Q880 PolarHBondContact O-N 2.77Å
881N42.7Very low52Low158 Ų158124.9 Ų124.985%0.84568%0.679SS**SBendtrans-107.745.9173.3-82.4-18.8000113.6
882Q42.3Very low48.9Very low156 Ų156124.5 Ų124.573%0.72969%0.691SS**SBendtrans-142151.2162.2-73.4-63.7-14.600109.5
883D32.7Very low46Very low73 Ų73125.1 Ų125.139%0.3970%0.704SS.*  trans68.480.2177.5-60.3-32000119Q1014 Q1015D883-Q1014 PolarHBondContact OD1-NE2 3.24Å; D883-Q1014 VanDerWaalsContact OD1-NE2 3.1Å; D883-Q1015 PolarHBondContact O-NE2 3.44Å
884S34.2Very low43.8Very low108 Ų108125.5 Ų125.576%0.75571%0.713SS**  -168.710912760.10000115.4
885T29.8Very low41.1Very low143 Ų143127.3 Ų127.388%0.87772%0.723SS**  trans-131.7144.5143.8480000108.7
886P40.6Very low39Very low125 Ų125130.7 Ų130.781%0.81273%0.728SS**  trans-103.6144.3-16637.2-32.7000114.1
887T26.3Very low37.1Very low148 Ų148130.3 Ų130.391%0.90873%0.726SS**  trans-135141.8165.1-53.20000112.1
888Q31.6Very low35.7Very low184 Ų184133.3 Ų133.386%0.8673%0.731SS**  trans-84.8151.8-174.7-178.6-177.597.200112.3
889T26.4Very low34.3Very low126 Ų126134.2 Ų134.277%0.77373%0.731SS**  trans-103.1143.8162.50.10000107.7
890Q26.6Very low33.4Very low173 Ų173138.7 Ų138.781%0.80875%0.745SS**  cis-171.4-173.848.4-125.8-16919.200107.8
891P46.8Very low33.5Very low99 Ų99139 Ų13964%0.64376%0.756SS**  cis-134.6-166.3-15.339.4-20.6000114.2
892S25.3Very low32.9Very low118 Ų118137.9 Ų137.983%0.82576%0.755SS**  trans104146.615479.30000119.8
893L29Very low33.2Very low163 Ų163135.8 Ų135.885%0.85375%0.754SS**  trans-114.9172.8-180-71.6156.4000107.2
894P41.6Very low33Very low115 Ų115140.4 Ų140.475%0.74777%0.774SS**  cis-145.1167.914.446.3-28.9000118
895N27.2Very low33.2Very low144 Ų144143 Ų14377%0.7777%0.774SS**  trans76.7157.2139.6-145.57.5000122.9
896Q32.3Very low33.3Very low135 Ų135141.9 Ų141.963%0.63177%0.767SS**  trans85.2113.2153.4-65.8-120.2105.700122.9
897Q30Very low33.2Very low134 Ų134143.2 Ų143.263%0.62677%0.766SS**  81.3111.5125.7-70.2-166.816.300123.1
898K29.6Very low34.2Very low158 Ų158141.7 Ų141.769%0.68776%0.758SS**  66.4128.6119.4-75.6-177.9168.4-175.20122.2
899Q27.3Very low34.6Very low166 Ų166140.5 Ų140.578%0.77676%0.757SS**  trans87140.8133.9-72.4170-43.800119.9
900H31.9Very low35.3Very low182 Ų182143.6 Ų143.684%0.84376%0.763SS**  trans-72174.5174-49.4-90.2000111
901P49.3Very low36.1Very low112 Ų112144.5 Ų144.573%0.72777%0.767SS**  cis-142.7172.615.441-20.7000118.9
902V31.3Very low36Very low134 Ų134147.8 Ų147.881%0.81277%0.773SS**  trans34.9119141.2178.60000117.6
903P48.6Very low36.9Very low111 Ų111150 Ų15072%0.72177%0.771SS**  -138.3-158.163.839.5-19.3000112.8
904Q28.3Very low37.8Very low170 Ų170150.2 Ų150.279%0.79477%0.767SS**  cis-148.7-103.77.1-162.3161.2-73.200114.9
905Q37.3Very low38Very low163 Ų163153 Ų15376%0.76277%0.77SS**  trans-153.8167.3-172.9-54.6-179.833.600107.5
906V31.3Very low39Very low119 Ų119153.5 Ų153.572%0.72177%0.768SS**  cis-145.3162.48.4-136.50000111.3
907I40Very low39.9Very low154 Ų154154 Ų15479%0.7977%0.77SS**  trans-13.1150.9151.8-71.1165000117.8
908P45.9Very low40.7Very low115 Ų115155 Ų15575%0.74778%0.775SS**  cis-126.3159.619.719.54.4000118.5
909L40.2Very low41.6Very low159 Ų159154.9 Ų154.983%0.83278%0.777SS**  trans-112.3120.2159.2-98.9143.5000108.2
910Q40.8Very low42.5Very low192 Ų192154 Ų15490%0.89777%0.773SS**  trans-153.932.1175.3-145.3-176.945.400117
911Q43.6Very low43.3Very low192 Ų192152.7 Ų152.790%0.89777%0.767SS**SBendtrans-131.2-13170.4-79.5-164.826.500116.4Q913Q911-Q913 PolarHBondContact O-N 3.11Å
912Q44.6Very low43Very low167 Ų167152.3 Ų152.378%0.7876%0.759SS**SBendtrans-86.7-5.4-172.3-162.9158.973.500115.1
913Q45.2Very low43.7Very low166 Ų166151.9 Ų151.978%0.77675%0.752SS**SBendtrans-97.9-21.2-168.6-161.6161.163.600115.5Q911Q911-Q913 PolarHBondContact O-N 3.11Å
914Q48.2Very low43.7Very low166 Ų166152.5 Ų152.578%0.77675%0.745SS**Hα-helixtrans-74.3-28.4179.4-77-177.7-13.700113.5Q916 Q917Q914-Q916 VanDerWaalsContact C-N 3.29Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q914-Q917 PolarHBondContact O-N 2.95Å
915Q46.2Very low44.6Very low174 Ų174150.7 Ų150.781%0.81374%0.736SS**Hα-helixtrans-77.8-9.1-170.5-151.9165.679.500114.4
916Q47.7Very low45Very low155 Ų155149.6 Ų149.672%0.72474%0.735SS**Hα-helixtrans-89.1-30.9173.4-75.4-177.2-17.200113.4Q914 Q918 Q919 E920Q914-Q916 VanDerWaalsContact C-N 3.29Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q916-Q918 PolarHBondContact O-N 3.31Å; Q916-Q919 PolarHBondContact O-N 3.44Å; Q916-E920 PolarHBondContact O-N 2.82Å
917Q49.8Very low45.6Very low144 Ų144150.6 Ų150.667%0.67373%0.732SS**Hα-helixtrans-67.7-35.3-175.5-73.1-174.3-12.400113.6Q914 Q919 E920 Q921Q914-Q917 PolarHBondContact O-N 2.95Å; Q917-Q919 VanDerWaalsContact C-N 3.29Å; Q917-Q919 PolarHBondContact O-N 3.48Å; Q917-E920 PolarHBondContact O-N 3.34Å; Q917-Q921 PolarHBondContact O-N 3.12Å
918Q47Very low45.6Very low155 Ų155146.6 Ų146.672%0.72472%0.721SS**Hα-helixtrans-66.4-29.5177.6-70-174.9-2.900113.1Q916Q916-Q918 PolarHBondContact O-N 3.31Å
919Q48.6Very low45.3Very low156 Ų156148.8 Ų148.873%0.72972%0.722SS**Hα-helixtrans-77.6-28.5179-167.7159.28800112.2Q916 Q917Q916-Q919 PolarHBondContact O-N 3.44Å; Q917-Q919 VanDerWaalsContact C-N 3.29Å; Q917-Q919 PolarHBondContact O-N 3.48Å
920E47.3Very low45.5Very low149 Ų149149.5 Ų149.570%0.69672%0.72SS**Hα-helixtrans-79.2-37.7179-157150.891.700112.4Q916 Q917 N922 L923 Q924Q916-E920 PolarHBondContact O-N 2.82Å; Q917-E920 PolarHBondContact O-N 3.34Å; E920-N922 VanDerWaalsContact C-N 3.33Å; E920-N922 PolarHBondContact O-N 2.83Å; E920-L923 PolarHBondContact O-N 2.81Å; E920-Q924 PolarHBondContact O-N 2.74Å; E920-Q924 VanDerWaalsContact O-N 3.1Å
921Q48.1Very low45.5Very low153 Ų153148.6 Ų148.672%0.71572%0.716SS**Hα-helixtrans-57.9-41.9172.2-97.9-170.6-14.200112.8Q917 L923 Q924 Q925Q917-Q921 PolarHBondContact O-N 3.12Å; Q921-L923 PolarHBondContact O-N 2.86Å; Q921-Q924 PolarHBondContact O-N 2.76Å; Q921-Q925 PolarHBondContact O-N 3.2Å
922N43.3Very low45.1Very low104 Ų104148.7 Ų148.756%0.55672%0.717SS**Hα-helixtrans-66.9-36.2-177.6-164.1-101.4000112.4E920E920-N922 VanDerWaalsContact C-N 3.33Å; E920-N922 PolarHBondContact O-N 2.83Å
923L46.4Very low44.4Very low126 Ų126151.5 Ų151.566%0.6672%0.72SS**Hα-helixtrans-70.6-35.5173.9-110.168000112.8E920 Q921 Q925E920-L923 PolarHBondContact O-N 2.81Å; Q921-L923 PolarHBondContact O-N 2.86Å; L923-Q925 PolarHBondContact O-N 2.9Å
924Q48.6Very low44Very low123 Ų123149.3 Ų149.358%0.57572%0.72SS**Hα-helixtrans-66.3-38.4-178.7-160.469.38700112.1E920 Q921 Q927 A928E920-Q924 PolarHBondContact O-N 2.74Å; E920-Q924 VanDerWaalsContact O-N 3.1Å; Q921-Q924 PolarHBondContact O-N 2.76Å; Q924-Q927 PolarHBondContact O-N 3.46Å; Q924-A928 PolarHBondContact O-N 3.4Å
925Q47.5Very low43.1Very low133 Ų133147.1 Ų147.162%0.62172%0.718SS**Hα-helixtrans-71.5-32.8-178.1-161173.475.900113Q921 L923 Q927 H929Q921-Q925 PolarHBondContact O-N 3.2Å; L923-Q925 PolarHBondContact O-N 2.9Å; Q925-Q927 VanDerWaalsContact C-N 3.26Å; Q925-Q927 PolarHBondContact O-N 3.44Å; Q925-H929 PolarHBondContact O-ND1 3.3Å
926L44.6Very low42.5Very low139 Ų139144.8 Ų144.873%0.72872%0.718SS**Hα-helixtrans-67.3-23.4172.7-109.172.4000113.5
927Q44.2Very low41.6Very low141 Ų141146 Ų14666%0.65972%0.723SS**Hα-helixtrans-89-21-178.8-165.8167.686.800113.4Q924 Q925Q924-Q927 PolarHBondContact O-N 3.46Å; Q925-Q927 VanDerWaalsContact C-N 3.26Å; Q925-Q927 PolarHBondContact O-N 3.44Å
928A41Very low40.6Very low69 Ų69150.5 Ų150.557%0.5773%0.734SS**Hα-helixtrans-68-33.6-178.200000113.8Q924 Q930Q924-A928 PolarHBondContact O-N 3.4Å; A928-Q930 PolarHBondContact O-N 2.97Å; A928-Q930 VanDerWaalsContact O-N 3.11Å
929H38.2Very low40.4Very low162 Ų162147.7 Ų147.775%0.7573%0.729SS**THydrogen-bonded Turntrans-75.13.7-169.8-71.190.2000115.7Q925Q925-H929 PolarHBondContact O-ND1 3.3Å
930Q45.1Very low39.2Very low173 Ų173146.8 Ų146.881%0.80873%0.725SS**THydrogen-bonded Turntrans-114.54.2-171.5-116.7-117.6107.700115.7A928A928-Q930 PolarHBondContact O-N 2.97Å; A928-Q930 VanDerWaalsContact O-N 3.11Å
931Q41Very low38.3Very low174 Ų174147.5 Ų147.581%0.81373%0.728SS**SBendtrans-142.535.9-169.9-75.9-163.393.700117.4
932Q35Very low37.2Very low193 Ų193144.7 Ų144.790%0.90273%0.726SS**  trans-130.8110.9164.4-69.6-156.674.100113.9
933R30.3Very low36.3Very low227 Ų227145.5 Ų145.586%0.85773%0.734SS**  trans-126108.8163.6-176.9-147.6-60.1-116.70.2107.8
934P35.1Very low35.4Very low120 Ų120146 Ų14678%0.77974%0.738SS**  trans-70.1137.3-178.3-21.334000113.3
935V29.7Very low34.4Very low120 Ų120147.9 Ų147.973%0.72775%0.746SS**  trans-135.1125.9159.4-179.80000106.5
936P34.3Very low33.4Very low125 Ų125147.8 Ų147.881%0.81276%0.755SS**  trans-77.9145.2-160.128.7-36.2000114.7
937Q28.9Very low32.5Very low179 Ų179148.4 Ų148.484%0.83676%0.758SS**  trans-131.3120.7168.7-72.3-174.98000112
938R29.2Very low31.7Very low240 Ų240147.7 Ų147.791%0.90676%0.764SS**  trans-85.1168.7153.2-120.2-167.2-93.6-177.6-11.4107.9
939P42.5Very low30.9Very low95 Ų95151.3 Ų151.362%0.61777%0.773SS**  cis-129.6-171.97.930.8-4.8000112.8
940Q23.6Very low31.4Very low138 Ų138148.4 Ų148.465%0.64577%0.769SS**  -164.5141.860.6-74.2-70.831.800110.5
941Q28.6Very low30.6Very low163 Ų163146.1 Ų146.176%0.76276%0.762SS**  49132.4104.1-56.1-177.5-23.500115.5
942S25.1Very low30.1Very low95 Ų95144.9 Ų144.966%0.66476%0.757SS**  177.316464.448.20000113.8
943V24.4Very low29.7Very low120 Ų120141.7 Ų141.773%0.72775%0.745SS**  trans57.6155.3155.2-64.60000120.6
944N26.1Very low29.5Very low137 Ų137135.8 Ų135.873%0.73374%0.739SS**  cis-155.9177.6-14.7-113.1-10.9000112.5
945H28.6Very low29.1Very low163 Ų163134.8 Ų134.876%0.75574%0.741SS**  trans-86.7162.7-176.5-40.1-93.6000114.9
946T26Very low29.3Very low131 Ų131135.7 Ų135.780%0.80475%0.747SS**  171.8156.2124.6300000111.2
947L26.6Very low30.3Very low151 Ų151135 Ų13579%0.79174%0.742SS**  cis-93.8-106.14.6-68.774.9000112.2
948T27.3Very low31.3Very low127 Ų127132 Ų13278%0.77974%0.738SS**  cis-154.8159.81.2-49.70000108.8
949N24Very low31Very low144 Ų144126 Ų12677%0.7773%0.733SS**  trans-151.9173.9-173.8-138.228.4000110
950P48.2Very low30.3Very low102 Ų102127.6 Ų127.666%0.66274%0.741SS**  cis-127.5-157.53.244-24.5000111.9
951N28.1Very low31.2Very low125 Ų125126.5 Ų126.567%0.66875%0.745SS**  cis-166.5158.4-0.4-134.618000105.9
952Q31Very low31.2Very low148 Ų148122.9 Ų122.969%0.69274%0.743SS**  cis-137.7-152.5-2.4-67.4167.4-139.900106.5
953D26.7Very low31.4Very low125 Ų125126.5 Ų126.567%0.66875%0.754SS**  cis-153.4-136.1-3.9-152.8-80.2000111.1
954S26.4Very low31.6Very low103 Ų103128.1 Ų128.172%0.7276%0.757SS**  trans-126.8145.8-161.3-45.70000115
955A25.1Very low31.9Very low100 Ų100127.3 Ų127.383%0.82676%0.76SS**  -177.8167.4125.700000111.4
956V34.5Very low32Very low139 Ų139123.7 Ų123.784%0.84276%0.758SS**  trans-128.1-154.9-161.2-150.70000112.9
957P56.1Low32.5Very low111 Ų111123 Ų12372%0.72176%0.756SS**  -110.8-150.4-126.546.6-29.3000112.9
958P49.4Very low32.5Very low116 Ų116127.1 Ų127.175%0.75376%0.761SS**  cis-139.2173.4-8.241.8-23.9000117.5
959S23.6Very low33.6Very low113 Ų113125.8 Ų125.879%0.7975%0.754SS**  164.8168110.8-156.70000114
960V26.9Very low33.9Very low129 Ų129125.9 Ų125.978%0.78276%0.755SS**  trans-145.6165.5-174-110.70000108.6
961P42.1Very low33Very low114 Ų114127.3 Ų127.374%0.7476%0.761SS**  cis-153.9167.145.343.4-22.4000120.4
962A28.6Very low33.1Very low87 Ų87130.3 Ų130.372%0.71977%0.768SS**  trans57.3154.6142.200000120.9
963L29.6Very low33.3Very low171 Ų171128.7 Ų128.790%0.89577%0.774SS**  cis-124.3176.113.4-99.694.8000114.7
964I28.2Very low33.7Very low155 Ų155132.9 Ų132.980%0.79578%0.78SS**  trans-121158-173-91.1166.9000107.2
965P34Very low34.1Very low120 Ų120134.9 Ų134.978%0.77978%0.782SS**  cis-140.2174.434.329.4-4.4000119.3
966A29.6Very low34.6Very low86 Ų86137.7 Ų137.771%0.71178%0.778SS**  trans-94.6-153.9159.900000109.9
967P35.8Very low34.6Very low118 Ų118139 Ų13977%0.76678%0.776SS**  cis-111.8-179.810.539.8-23.8000113
968R27.8Very low33.3Very low236 Ų236140.6 Ų140.689%0.89178%0.784SS**  cis78.7148.129.4-81.7-165.1176.2-154.1-0.1115.9
969P49Very low32.3Very low100 Ų100145.1 Ų145.165%0.64979%0.792SS**  -134.7-175.3-126.744.4-29.6000117.7
970N31.2Very low32.4Very low146 Ų146143.1 Ų143.178%0.78179%0.789SS**  trans75.8139.5163.2-58.8-31.9000118.7
971V28.3Very low32.8Very low131 Ų131142.5 Ų142.579%0.79479%0.79SS**  176.1135.9104.6156.10000113.2
972K30.8Very low32.6Very low188 Ų188142.7 Ų142.782%0.81779%0.791SS**  trans-31.8150.3167.7-45.9162.9-174.7179.60117.7
973S34.9Very low32.6Very low115 Ų115145.7 Ų145.780%0.80479%0.791SS**  172130.2111.9-79.20000118.5
974R35.4Very low32.4Very low213 Ų213145.6 Ų145.680%0.80479%0.786SS**  60.592.8125.2-158.9176.1-173.6-151.71.2123
975L35.9Very low32.5Very low144 Ų144143.8 Ų143.875%0.75478%0.777SS**  61.5134.1125.1-74.3169.6000124.4
976Q33.8Very low32.2Very low159 Ų159144.6 Ų144.674%0.74377%0.77SS**  trans107.4118.5136.8-85175.99600122.3
977M35.5Very low32.2Very low166 Ų166148.8 Ų148.882%0.81878%0.775SS**  trans14.2110.3154.8-58.1-168.1-64.100120.9
978V28.2Very low31.7Very low146 Ų146149.4 Ų149.489%0.88578%0.777SS**  trans-137.3146.4140.7169.40000109.4
979K28.7Very low32.3Very low211 Ų211144.3 Ų144.392%0.91777%0.774SS**  trans-90.9110.1173.6171.3-170172.7-175.90110
980G25.9Very low31.2Very low70 Ų70142.9 Ų142.972%0.72278%0.778SS**  trans168121.9168.500000114.8
981S35.1Very low31.1Very low116 Ų116141.6 Ų141.681%0.81178%0.781SS**  trans-76.7152.4147.651.40000108.1
982P38.2Very low31Very low118 Ų118138.6 Ų138.677%0.76678%0.776SS**  -124.8-15357.329.2-5.4000110.4
983Q28.2Very low31.8Very low150 Ų150135 Ų13570%0.70177%0.772SS**  cis-166.7148.724.6-177.7176.7-12.600111.4L985Q983-L985 PolarHBondContact NE2-O 2.9Å; Q983-L985 VanDerWaalsContact NE2-O 3.08Å
984E26.1Very low31.3Very low170 Ų170137 Ų13779%0.79477%0.769SS**  trans-107.1134.8157.2-160.7-174.4143.400108.5
985L29.5Very low31Very low117 Ų117133.9 Ų133.961%0.61376%0.763SS**  trans58.5123.2173.4-69.2153.6000117.8Q983Q983-L985 PolarHBondContact NE2-O 2.9Å; Q983-L985 VanDerWaalsContact NE2-O 3.08Å
986Q28.9Very low30.5Very low136 Ų136134.6 Ų134.664%0.63676%0.763SS**  155.411494-166.275.586.600112.8
987Q28.7Very low30.1Very low174 Ų174137 Ų13781%0.81377%0.765SS**  trans72.1170.6161.1-68.7173.2124.700119.6
988T26.4Very low29.8Very low132 Ų132136.6 Ų136.681%0.8176%0.759SS**  trans-124.2-174.2-157.251.70000111.4
989P39Very low29.9Very low128 Ų128137.5 Ų137.583%0.83175%0.753SS**  cis-125177.9-49.135.1-20.1000112.1
990G26.3Very low30Very low70 Ų70135.2 Ų135.272%0.72275%0.746SS**  trans175121.5165.900000117.9
991S29.2Very low30.4Very low120 Ų120139.5 Ų139.584%0.83975%0.747SS**  trans3.4130.6155.254.20000121.7
992G26.6Very low30.5Very low68 Ų68140.8 Ų140.870%0.70174%0.74SS**  trans-85.4-145147.400000111.2
993P46.5Very low30.3Very low113 Ų113142.3 Ų142.373%0.73474%0.737SS**  cis-132.8-156.9-3.729-3.3000112.4
994E24.7Very low30.6Very low157 Ų157143.3 Ų143.373%0.73474%0.742SS**  trans69.7160.2160.1-60.8-161.96700118.3
995Q29Very low31.1Very low146 Ų146142.9 Ų142.968%0.68274%0.74SS**  cis-159.4-178.7-29.1-111.1-151.379.300109.2
996Q26.3Very low31.5Very low159 Ų159143.8 Ų143.874%0.74374%0.741SS**  trans91.998.6139.3-122.7172-111.500123
997W25.8Very low31.8Very low210 Ų210143.6 Ų143.680%0.79574%0.74SS**  trans80.2178.3130.1-83.267.1000122.9
998K27.8Very low32Very low158 Ų158141.6 Ų141.669%0.68773%0.731SS**  trans-105.9175.1-146.8-48.4167.9-175.4170.30114.1
999Q30.6Very low32.2Very low164 Ų164142.6 Ų142.677%0.76673%0.726SS**  trans112.3158.1133.5-150.8-175.77800118.1
1000Q30.9Very low32.9Very low163 Ų163141.3 Ų141.376%0.76272%0.718SS**  trans75.5126.6171.9-52.9-178.77.400114.9
1001Q34.5Very low33.8Very low160 Ų160143.1 Ų143.175%0.74872%0.717SS**  cis82.613610.2-146.4-160.273.600117.5
1002Q36.8Very low33.7Very low144 Ų144144.9 Ų144.967%0.67372%0.716SS**  trans80.8156.7170-46.3-166.815.400115.7
1003Q34.3Very low34Very low150 Ų150149.8 Ų149.870%0.70172%0.721SS**  cis-157.2-172.77.5-144.6179.881.200112.6
1004Q34.2Very low33.3Very low171 Ų171150.5 Ų150.580%0.79971%0.714SS**  trans75.8122.3172.2-67.4173.794.300115.7
1005Q36.9Very low33.6Very low160 Ų160149.2 Ų149.275%0.74871%0.708SS**  cis67.5139.913.1-92.3-165.986.700115.7
1006Q38.3Very low33.6Very low136 Ų136147.7 Ų147.764%0.63670%0.696SS**  cis-158-156.88.7-151.4-160.476.600111.8
1007Q34.5Very low33.7Very low132 Ų132147.3 Ų147.362%0.61769%0.688SS**  trans78.1158.2170.3-60.1-68.2-7200117.5
1008Q32.8Very low33.8Very low133 Ų133143.8 Ų143.862%0.62169%0.685SS**  cis153147.2-30.4-94.1-145.9123.700107.7
1009Q30.7Very low33.8Very low153 Ų153141.8 Ų141.872%0.71569%0.691SS**  cis-155.9169.1-8.7-87.5-80.71400108.5
1010P54.8Low33.7Very low101 Ų101139.5 Ų139.566%0.65669%0.693SS**  trans-104-169.3-176.741.3-33.8000114.3
1011P44.4Very low33.7Very low108 Ų108139 Ų13970%0.70169%0.694SS**  -151.3147.199.837.8-20.4000118.2
1012L28.3Very low33.5Very low157 Ų157139.4 Ų139.482%0.82270%0.697SS**  trans59.2152.8144.2-57.2169.4000119.7
1013Q32.2Very low33Very low170 Ų170137.8 Ų137.879%0.79470%0.701SS**  cis-147.8-174.44.6-147.5169.74.700111.7
1014Q32Very low32.6Very low128 Ų128133.1 Ų133.160%0.59869%0.688SS**  trans-66.9-179.8176.8-58.1167.8-31.700112.7D883D883-Q1014 PolarHBondContact OD1-NE2 3.24Å; D883-Q1014 VanDerWaalsContact OD1-NE2 3.1Å
1015Q31.2Very low32.3Very low130 Ų130132.1 Ų132.161%0.60769%0.688SS**  cis-157.2-16720-150.7179.7-7.200112.5D883D883-Q1015 PolarHBondContact O-NE2 3.44Å
1016R28.1Very low32.1Very low115 Ų115132.1 Ų132.143%0.43469%0.686SS.*  trans-82160.4-166.7-65.9-176.6178.7-127.89.8117.2T879T879-R1016 PolarHBondContact O-NH2 2.95Å
1017R28.5Very low32Very low151 Ų151129.3 Ų129.357%0.5768%0.68SS**  trans67.4117.2139.7-84.4-166.9-75.4-151.8-0.5122.4
1018N28.8Very low31.6Very low135 Ų135125.3 Ų125.372%0.72267%0.673SS**  52136.1120.6-58.16.3000123.2
1019S28.1Very low31.5Very low117 Ų117122 Ų12282%0.81867%0.669SS**  trans65.7143.6151.436.60000118.7
1020S27.6Very low31.4Very low116 Ų116121.7 Ų121.781%0.81167%0.667SS**  cis-157.7-175.8-5.647.40000111.6
1021L30.3Very low30.1Very low151 Ų151120.1 Ų120.179%0.79166%0.656SS**  trans-57163.4178.8-51.2169.5000112.5
1022Q30Very low30Very low170 Ų170119.5 Ų119.579%0.79465%0.652SS**  cis-169156.327.7-151.6174.799.600113.5
1023S27.8Very low30.1Very low110 Ų110117.7 Ų117.777%0.76964%0.639SS**  trans67131.2150.7-1520000122.9
1024A26.2Very low30Very low52 Ų52117 Ų11743%0.4363%0.634SS.*  170.8128.3119.100000116.7N718N718-A1024 PolarHBondContact OD1-O 3.22Å
1025N26.7Very low30Very low150 Ų150116 Ų11680%0.80263%0.633SS**  trans65.2160.8136.4-70.7-19.3000128.4
1026K33.3Very low30Very low159 Ų159116.8 Ų116.869%0.69164%0.639SS**  trans-129.9167.8170.4-48.5172.6-175.5174.90109.1
1027P35.4Very low30.4Very low78 Ų78116.4 Ų116.451%0.50665%0.651SS.*  -145.9-135.7124.926.7-2.2000110P714 R715 S716P714-P1027 CarbonylContact C-O 2.83Å; R715-P1027 CarbonylContact C-O 3.09Å; R715-P1027 WeakPolarHBondContact CA-O 3.46Å; R715-P1027 PolarHBondContact N-O 2.89Å; S716-P1027 PolarHBondContact N-O 3.33Å; S716-P1027 WeakPolarHBondContact O-CD 3.23Å
1028G27.4Very low31Very low47 Ų47114.9 Ų114.949%0.48566%0.661SS.*  trans126.3-132.8162.500000121.4P714 R715P714-G1028 WeakPolarHBondContact CB-O 3.49Å; R715-G1028 VanDerWaalsContact C-CA 3.47Å; R715-G1028 WeakPolarHBondContact O-CA 3.06Å
1029A30Very low31Very low64 Ų64113.5 Ų113.553%0.52966%0.662SS.*  trans-150.3169.5172.600000114.1N713 P714 R715N713-A1029 CarbonylContact O-C 3.55Å; P714-A1029 VanDerWaalsContact CA-N 3.29Å; P714-A1029 WeakPolarHBondContact CA-O 3.39Å; P714-A1029 VanDerWaalsContact CB-N 3.27Å; R715-A1029 PolarHBondContact N-O 3.41Å
1030Q28.5Very low31.1Very low146 Ų146114.3 Ų114.368%0.68266%0.662SS**  cis-152.9-148.8-2.2-137.5-15666.800116.3M712 N713M712-Q1030 WeakPolarHBondContact CB-O 3.46Å; M712-Q1030 WeakPolarHBondContact CG-O 3.34Å; N713-Q1030 CarbonylContact O-C 3.58Å; N713-Q1030 WeakPolarHBondContact O-CA 3.15Å; N713-Q1030 PolarHBondContact O-N 2.95Å
1031V27.6Very low31.2Very low68 Ų68120.3 Ų120.341%0.41267%0.667SS.*  trans-115.6-171.1-162.7-115.30000115.9H711 M712H711-V1031 HydrophobicContact CB-CG1 3.77Å; M712-V1031 HydrophobicContact CB-CB 4.25Å; M712-V1031 HydrophobicContact CB-CG1 3.48Å; M712-V1031 VanDerWaalsContact CB-CG1 3.48Å; M712-V1031 WeakPolarHBondContact CE-O 3.42Å
1032P43.2Very low31.4Very low95 Ų95122.4 Ų122.462%0.61767%0.672SS**  cis-140.8-176.9-4.540.1-17.9000119.8H711H711-P1032 VanDerWaalsContact CE1-C 3.46Å
1033Q29.5Very low31.5Very low119 Ų119117.7 Ų117.756%0.55667%0.67SS**  trans48.4-174.4166.9-62.1-161.414.100122R710 H711R710-Q1033 PolarHBondContact NH1-O 2.73Å; H711-Q1033 VanDerWaalsContact CE1-CA 3.43Å; H711-Q1033 WeakPolarHBondContact CE1-CA 3.43Å; H711-Q1033 PolarHBondContact CE1-N 2.88Å; H711-Q1033 VanDerWaalsContact NE2-CA 3.32Å; H711-Q1033 WeakPolarHBondContact NE2-CA 3.22Å; H711-Q1033 PolarHBondContact NE2-N 2.81Å
1034K30.5Very low32.7Very low156 Ų156118.8 Ų118.868%0.67867%0.674SS**  -105.8171.8-92.6-81.5151.1173.6156.50111.4R710R710-K1034 VanDerWaalsContact CZ-C 3.41Å; R710-K1034 PolarHBondContact NH2-O 2.98Å
1035N30.8Very low32.8Very low108 Ų108120.5 Ų120.558%0.57869%0.688SS**  cis-134.6-113.9-1.8-154.821.6000116.4R710R710-N1035 VanDerWaalsContact CZ-O 3.23Å; R710-N1035 PolarHBondContact NE-O 3.24Å; R710-N1035 PolarHBondContact NH2-O 2.67Å
1036I31.8Very low33Very low145 Ų145122.5 Ų122.574%0.74469%0.693SS**  trans-99.4163.4-156.9-84169.4000115.4
1037P37Very low33.2Very low107 Ų107120.9 Ų120.970%0.69570%0.696SS**  trans-124.8-160.4-157.345.9-31.8000115
1038P40.6Very low32.9Very low119 Ų119125.7 Ų125.777%0.77372%0.717SS**  cis-115.4-160.8-40.532.9-11.9000110.2
1039S28.1Very low33.3Very low106 Ų106126.3 Ų126.374%0.74172%0.724SS**  cis-163.1178.316.5-158.80000113.8
1040V30.3Very low33.6Very low135 Ų135129.1 Ų129.182%0.81874%0.736SS**  trans70.7113.3167.8-168.20000118.2
1041R30.1Very low33.9Very low241 Ų241131.8 Ų131.891%0.90975%0.746SS**  trans-106.6155.9157.8-95.8-171.6171.6-160.7-1.6110.1
1042Q33.9Very low34.6Very low195 Ų195134.7 Ų134.791%0.91177%0.766SS**  trans-72.7163.3159.7-60.1146.3-12.300109.5
1043G33.3Very low34.1Very low72 Ų72133.6 Ų133.674%0.74277%0.772SS**  cis-170.3-121.56.700000112.8
1044P51.6Low34.7Very low132 Ų132133.1 Ų133.186%0.85779%0.788SS**  -111.6162.9-12139.8-35.6000116.8
1045A28.8Very low35Very low88 Ų88135.4 Ų135.473%0.72780%0.798SS**  trans-167.8131.4152.800000115.9
1046Q30.4Very low35.6Very low192 Ų192141.5 Ų141.590%0.89781%0.813SS**  trans64.6170.3137.3-65.9-170.166.400122.9
1047T37.3Very low36.3Very low125 Ų125141.5 Ų141.577%0.76782%0.82SS**  trans-133.2153.8-16252.20000111.9
1048L29.2Very low36.4Very low179 Ų179141.3 Ų141.394%0.93782%0.817SS**  trans-172.4153.2138.4-103.2159.2000110.5
1049G35.9Very low36.3Very low61 Ų61144.5 Ų144.563%0.62982%0.824SS**  trans-101.1-176.417700000113
1050P37.3Very low37.1Very low122 Ų122147.5 Ų147.579%0.79283%0.826SS**  -148.2146.4120.136.3-20.7000117.5
1051K34.2Very low37.5Very low202 Ų202151.9 Ų151.988%0.87883%0.828SS**  trans65.5146146-68.9178.9178179.70120.9
1052P42Very low37.5Very low130 Ų130146.1 Ų146.184%0.84482%0.819SS**  trans-88.4149.8178.136.2-34.9000112.8
1053G33.8Very low37.4Very low72 Ų72145.6 Ų145.674%0.74281%0.814SS**  trans-119.1115.3170.900000111.5
1054A40.8Very low37.2Very low108 Ų108149.7 Ų149.789%0.89382%0.819SS**  trans-70.6130.8177.600000111.3
1055K37.7Very low36.2Very low205 Ų205149.3 Ų149.389%0.89182%0.819SS**  trans-137.1138.4170.1-70.7-165.5175.7-176.10112.5
1056R44.5Very low36.1Very low235 Ų235148.7 Ų148.789%0.88782%0.822SS**PPolyproline II helixtrans-53.4143.3-176.2-58.5166.6176.1168.9-4.8112.4
1057T45.4Very low36.3Very low145 Ų145146.4 Ų146.489%0.8982%0.82SS**PPolyproline II helixtrans-97.8127.5149.2-59.40000107.9
1058V38.3Very low35.8Very low104 Ų104149.4 Ų149.463%0.6383%0.826SS**PPolyproline II helixtrans-90132.7-174.8171.70000110.3Q1060V1058-Q1060 HydrophobicContact CG1-CG 4.24Å; V1058-Q1060 PolarHBondContact O-N 3.43Å; V1058-Q1060 VanDerWaalsContact O-N 3.12Å
1059M38.8Very low36.3Very low186 Ų186145.2 Ų145.292%0.91682%0.817SS**  trans-70.898.7163.5-71.3-178.369.400109.5R1061M1059-R1061 PolarHBondContact O-N 3.2Å; M1059-R1061 VanDerWaalsContact O-N 3.11Å
1060Q44.5Very low36.1Very low168 Ų168149.9 Ų149.979%0.78582%0.822SS**  trans-77.397.2170.2-71.1-1602100110.6V1058 V1062V1058-Q1060 HydrophobicContact CG1-CG 4.24Å; V1058-Q1060 PolarHBondContact O-N 3.43Å; V1058-Q1060 VanDerWaalsContact O-N 3.12Å; Q1060-V1062 PolarHBondContact O-N 3.39Å; Q1060-V1062 VanDerWaalsContact O-N 3.16Å
1061R39.3Very low36.1Very low228 Ų228151.5 Ų151.586%0.8682%0.819SS**  trans-70.896.4165.7177.3-166.8-70172.3-2.7108.8M1059M1059-R1061 PolarHBondContact O-N 3.2Å; M1059-R1061 VanDerWaalsContact O-N 3.11Å
1062V30.7Very low36.7Very low119 Ų119147.4 Ų147.472%0.72181%0.811SS**  trans-87.5109168.5-176.50000109.2Q1060Q1060-V1062 PolarHBondContact O-N 3.39Å; Q1060-V1062 VanDerWaalsContact O-N 3.16Å
1063K30.7Very low36.5Very low185 Ų185146.5 Ų146.580%0.80481%0.805SS**  trans-133.3108.8162.6-84.4-167.7174.2-171.70107.8
1064N29.4Very low36.6Very low158 Ų158150 Ų15085%0.84580%0.802SS**  trans-107.1125.3158.8-78.229000107.9
1065S31.1Very low36.5Very low123 Ų123153 Ų15386%0.8680%0.795SS**  trans-80.6153.5159.444.20000109.7
1066G26.3Very low36.2Very low76 Ų76149.4 Ų149.478%0.78479%0.79SS**  trans175.1101.4179.800000110.3
1067V34.1Very low36Very low144 Ų144148.7 Ų148.787%0.87379%0.787SS**  trans-109.2123.7-172.6-172.90000109.9
1068E28.1Very low35.6Very low188 Ų188148.9 Ų148.988%0.87979%0.788SS**  trans-150.4139.1154.3-162.9157.7-139.500110.2
1069A38.8Very low35.3Very low91 Ų91149.2 Ų149.275%0.75279%0.79SS**  trans-145.8119.6-175.200000112
1070Q32.7Very low35Very low159 Ų159149.2 Ų149.274%0.74379%0.785SS**  trans-153142.2170-91.3-164.1-89.100109.1
1071Q35.7Very low34.6Very low156 Ų156149 Ų14973%0.72979%0.788SS**  cis-159.6156.2-13.3-148.4165.94200110.5
1072V48.3Very low34Very low116 Ų116143.4 Ų143.470%0.70378%0.784SS**  trans-103.4135.1172.6178.40000110.4
1073P37.8Very low34.3Very low110 Ų110140.8 Ų140.871%0.71478%0.781SS**  trans-93.3121.515533-25.4000109.3
1074Q36Very low34.6Very low146 Ų146138.5 Ų138.568%0.68279%0.785SS**  57.6134.660.3-55.3-173.28.200112.1
1075K37.2Very low34.7Very low170 Ų170135.6 Ų135.674%0.73978%0.777SS**  cis-161.4173.435.9-129.2155.9-66.3-170.40108.3
1076V33.2Very low34.5Very low131 Ų131133.6 Ų133.679%0.79478%0.776SS**  cis-128.8-116.38.3-164.60000110.3
1077R39.9Very low35Very low220 Ų220139 Ų13983%0.8378%0.778SS**  trans-163.2154.6177.8-64.6-176.3178103.3-3.6109.6
1078V37.3Very low35.2Very low148 Ų148135.9 Ų135.990%0.89778%0.775SS**  trans-137.2150.9146.8-179.10000107.4
1079V31.8Very low36Very low111 Ų111133 Ų13367%0.67377%0.772SS**  trans-136.4144.1-167.2171.40000111.1
1080K32.5Very low35.4Very low187 Ų187137.6 Ų137.681%0.81378%0.778SS**  trans66.4152.2178.8-84.8176.2174.2177.70113.5
1081L35Very low35.4Very low162 Ų162134.1 Ų134.185%0.84878%0.777SS**  cis-131-171.635.9-80.6164.3000115.1
1082S26.8Very low35.1Very low111 Ų111132.6 Ų132.678%0.77678%0.778SS**  trans-75.3162.1-173.349.20000115.5
1083G37.7Very low34.1Very low65 Ų65132.8 Ų132.867%0.6779%0.785SS**  trans-74.8-171167.900000113.9
1084P37.1Very low33.7Very low137 Ų137132.9 Ų132.989%0.8979%0.788SS**  -142.1173.7115.540.2-28.8000115.3
1085S30.3Very low34.6Very low97 Ų97131.9 Ų131.968%0.67879%0.794SS**  trans-65.8148.2173.8159.30000113.9
1086G28.6Very low34.2Very low81 Ų81129.9 Ų129.984%0.83580%0.796SS**  trans-120130.2155.900000110.6
1087K37.2Very low34.1Very low190 Ų190130.6 Ų130.683%0.82679%0.79SS**  trans-131.1122.4-179.7-82.1-171.6174.9-172.40111.3
1088G37.5Very low33.8Very low78 Ų78127.4 Ų127.480%0.80479%0.785SS**  trans51.2-153.9159.800000116.4
1089P45.5Very low33.6Very low127 Ų127128.6 Ų128.683%0.82578%0.781SS**  cis-121.6-173.9-12.841.1-27.8000112.6
1090E25.5Very low33.7Very low188 Ų188126.6 Ų126.688%0.87978%0.782SS**  trans-109.3147.3163.9-169.6177.7146.100109.7
1091A31.6Very low33.6Very low85 Ų85123.4 Ų123.470%0.70278%0.779SS**  trans66.6141174.700000116
1092T30.6Very low33.2Very low125 Ų125126.2 Ų126.277%0.76778%0.778SS**  cis-143.1163.30.948.70000112.2
1093S28.1Very low33.2Very low119 Ų119128.2 Ų128.283%0.83278%0.775SS**  trans75.5152.9157.373.10000120.2
1094S28.7Very low32.9Very low112 Ų112129 Ų12978%0.78378%0.775SS**  trans-114.7177-166.3-38.80000110.9
1095P54.8Low33.1Very low126 Ų126128.2 Ų128.282%0.81877%0.77SS**  cis-128.8-138.526.833.1-6000112.2
1096V28.9Very low34.1Very low128 Ų128129 Ų12978%0.77677%0.773SS**  cis-147.4-113.816.865.40000115.2
1097Q31.3Very low35.2Very low145 Ų145130.2 Ų130.268%0.67877%0.766SS**  trans-142.2145.4-158.3-76.5178.2-26.300115.1
1098Q33.8Very low34.7Very low153 Ų153127.6 Ų127.672%0.71576%0.761SS**  trans62.3157.7134.3-66.4173.421.500121.4
1099Q31.5Very low34.6Very low174 Ų174132.4 Ų132.481%0.81376%0.763SS**  cis-173.5131.5-23.3174.6175.950.400112.2
1100G33.8Very low33.9Very low68 Ų68129.9 Ų129.970%0.70176%0.76SS**  trans74.5174159.100000119.6
1101T31.6Very low34.3Very low120 Ų120128.1 Ų128.174%0.73676%0.755SS**  cis-171.4150.9-28.90.50000112.8
1102W27.1Very low34.4Very low221 Ų221132 Ų13284%0.83776%0.758SS**  trans67159.4155.5-66.1132.2000119.4
1103Q26.5Very low34.6Very low154 Ų154137 Ų13772%0.7276%0.763SS**  cis-158-179-5.1-107.3-75.417.700110.4
1104A30.3Very low34.8Very low81 Ų81140.6 Ų140.667%0.66976%0.764SS**  trans-119.6-153.4179.900000112.3
1105P41.7Very low35Very low120 Ų120141.2 Ų141.278%0.77976%0.762SS**  cis-130.3-96.25.929.7-2.3000123
1106P50.7Low34Very low113 Ų113141.8 Ų141.873%0.73476%0.764SS**  -130.7-140.1-124.242.9-19.5000120.2
1107P53.2Low34.3Very low107 Ų107143.6 Ų143.670%0.69577%0.766SS**  -139.6-171.4-109.746.7-25.8000119
1108N26.8Very low34.4Very low135 Ų135145 Ų14572%0.72277%0.774SS**  trans-176.4139.1150-99.4-59000111.7
1109Q34.4Very low34.3Very low180 Ų180141 Ų14184%0.84178%0.775SS**  56.6136.784.4-59.6-165.994.100117.4
1110G30.8Very low34.3Very low73 Ų73139.9 Ų139.975%0.75377%0.77SS**  cis168.8170.8-9.200000115.9
1111I34.7Very low34.3Very low151 Ų151143.6 Ų143.677%0.77477%0.769SS**  trans80.6105.5151.4-57.9177.3000123.8
1112Q32.5Very low34.4Very low166 Ų166145.7 Ų145.778%0.77677%0.77SS**  trans58.4158.9133.9-61.1-171.49.400127.8
1113R34.8Very low34.4Very low232 Ų232140 Ų14088%0.87577%0.77SS**  trans86.6158.4158.4-50.3179.5-173.8-179.32.4117.7
1114K32.3Very low34.4Very low193 Ų193136 Ų13684%0.83977%0.77SS**  cis-166.6130.7-41.2179.2-178.4177-175.60109.4
1115V34.3Very low35.1Very low125 Ų125137.6 Ų137.676%0.75877%0.774SS**  trans17.6129.1158.6-173.50000121
1116T32.9Very low34.6Very low138 Ų138135.4 Ų135.485%0.84777%0.773SS**  178.6168.8129.4-72.30000111.5
1117M34.8Very low33.5Very low166 Ų166133.7 Ų133.782%0.81878%0.776SS**  trans-120.9172.7-171-74.9-109.670.500114.8
1118M33.4Very low32.4Very low174 Ų174133.6 Ų133.686%0.85777%0.774SS**  trans91.1153158.4-58.4-163.37000120.8
1119G31.6Very low33.3Very low71 Ų71132.4 Ų132.473%0.73277%0.773SS**  trans11179.9177.800000113.5
1120Q32.6Very low33.2Very low150 Ų150132.1 Ų132.170%0.70177%0.772SS**  63.811471.6-81.3-15222.700117.9
1121Q33.1Very low33.2Very low145 Ų145133 Ų13368%0.67877%0.773SS**  trans67.9152.3141.3-58.4-160.987.800118.5
1122Q33.1Very low32.9Very low165 Ų165130.9 Ų130.977%0.77177%0.771SS**  cis-158.1171.6-3.2-130-175.329.900111.8
1123A27.8Very low32.7Very low100 Ų100134.5 Ų134.583%0.82678%0.777SS**  trans70.7152.7158.500000121.1
1124G25.9Very low32.3Very low71 Ų71127.3 Ų127.373%0.73278%0.775SS**  trans-127.6-139.3170.600000109.7
1125P46.3Very low32.1Very low114 Ų114121.6 Ų121.674%0.7477%0.771SS**  cis-135.4-172.7-6.243.4-26.9000114.4
1126G30.9Very low31.7Very low74 Ų74121.8 Ų121.876%0.76378%0.778SS**  trans108.7151.9149.100000118.5
1127G28.2Very low31.4Very low78 Ų78119 Ų11980%0.80478%0.777SS**  trans117.5107.2163.600000117.3
1128T30.3Very low31.1Very low104 Ų104118.2 Ų118.264%0.63878%0.776SS**  trans-98.2-171.6156.860.90000108.3
1129P45.4Very low31Very low111 Ų111115.3 Ų115.372%0.72177%0.768SS**  cis-139.1-158.6-2.235-10.7000114.4
1130Q30.5Very low31.1Very low174 Ų174119.2 Ų119.281%0.81377%0.767SS**  trans99.176.1140.4-157.4166.5-17.900121.4
1131A31.9Very low31.1Very low92 Ų92119.7 Ų119.776%0.7677%0.77SS**  53.7140.3112.300000123.6
1132S28.5Very low31.1Very low105 Ų105117.7 Ų117.773%0.73477%0.772SS**  123.6135.8116.8-151.20000117.3
1133R28.2Very low31.1Very low243 Ų243121 Ų12192%0.91778%0.777SS**  trans63.9142.5175.2-53.6-179.5178.4-161.7-2.3115.4
1134G26.4Very low31.5Very low81 Ų81122.3 Ų122.384%0.83577%0.774SS**  cis137.5143.8-4.400000111.7
1135G27Very low31.9Very low73 Ų73125.8 Ų125.875%0.75378%0.781SS**  trans125.5113173.900000114.8
1136S26Very low31.6Very low129 Ų129125.8 Ų125.890%0.90278%0.779SS**  trans-17.9139.9145.950.70000117.6
1137G28.4Very low31.8Very low80 Ų80128 Ų12883%0.82578%0.783SS**  trans-174.292.7169.700000112.6
1138D27.6Very low32.1Very low148 Ų148127.3 Ų127.379%0.79178%0.775SS**  trans-69.7175.9-178.8-145.2-36.5000113.5
1139T32.1Very low32.3Very low114 Ų114134.7 Ų134.770%0.69979%0.792SS**  trans66.2152.8156.753.90000120.4
1140Q32.5Very low31.7Very low152 Ų152132.4 Ų132.471%0.7179%0.788SS**  cis-172.1168-29.5-147.7-176.137.700110.4
1141Q33.3Very low31.9Very low160 Ų160135.6 Ų135.675%0.74879%0.793SS**  trans62.2123.2156.65.4-177.5-17.900125.1
1142S32.3Very low31.9Very low104 Ų104134.3 Ų134.373%0.72779%0.788SS**  94.3160.4110.3-158.70000123.4
1143R33.7Very low32.2Very low235 Ų235141 Ų14189%0.88780%0.797SS**  trans97.389.2161.4-54.1-160.6-177.8-155.6-0.2120.5
1144V35.9Very low32.4Very low126 Ų126132.9 Ų132.976%0.76479%0.789SS**  trans-54.2145.4152.1176.40000113.1V1146V1144-V1146 HydrophobicContact CG1-CG2 4.38Å
1145V33.5Very low32.6Very low145 Ų145134.3 Ų134.388%0.87979%0.793SS**  trans-142.2159.5146179.40000109.2
1146V40.1Very low32.9Very low113 Ų113134.2 Ų134.269%0.68579%0.792SS**  trans-134.8161.8-165.2141.90000112.5V1144V1144-V1146 HydrophobicContact CG1-CG2 4.38Å
1147S35.8Very low33.6Very low121 Ų121133.7 Ų133.785%0.84679%0.785SS**  trans73.9151.9171.3-69.60000117.6
1148G35.2Very low33.9Very low63 Ų63138.9 Ų138.965%0.64979%0.791SS**  cis153178-2.700000112.7
1149R32.9Very low34.1Very low260 Ų260135.7 Ų135.798%0.98179%0.793SS**  trans67.9154.6-180-54.7175170.6-174.6-3.9115.1
1150G34.3Very low34.2Very low62 Ų62141.4 Ų141.464%0.63980%0.802SS**  cis145.8164.1-6.900000113.5
1151R33.5Very low34.2Very low242 Ų242137.8 Ų137.891%0.91381%0.805SS**  trans75.7141.7-170.1-45.8173.2-170.1-89.98.6113.5
1152G32.8Very low34.2Very low65 Ų65138.2 Ų138.267%0.6781%0.806SS**  cis117.5159.9-1000000115.7
1153R35.3Very low34.5Very low245 Ų245138.4 Ų138.493%0.92581%0.805SS**  trans92.1133.4-168.3-57.8175-171.6-83.56.9113.3
1154G32.7Very low34.9Very low72 Ų72134 Ų13474%0.74280%0.799SS**  cis165.6165.1-10.400000114.7
1155A29.9Very low34.9Very low112 Ų112134 Ų13493%0.92680%0.801SS**  trans61.2134.5-179.600000115.2
1156G32.3Very low35.2Very low70 Ų70132.4 Ų132.472%0.72279%0.792SS**  cis118.5165.516.200000110
1157P42.7Very low34.9Very low118 Ų118138.6 Ų138.677%0.76680%0.803SS**  cis-133.1168-2.241.9-25.8000116
1158M32.7Very low35.4Very low189 Ų189141.5 Ų141.593%0.93180%0.803SS**  trans40.9115.1146.3-64.8-179.817300121.8
1159G33.7Very low35.4Very low82 Ų82143.8 Ų143.885%0.84581%0.809SS**  trans-138.918.6174.300000117.9
1160R33.4Very low35.4Very low234 Ų234140 Ų14088%0.88380%0.803SS**  trans28.7103.7171.7-65.1-172.9-176.9-129.64.5119.2
1161G32.1Very low35.6Very low75 Ų75149 Ų14977%0.77382%0.817SS**  trans-140.6128.4152.300000109.6
1162H33.2Very low35.7Very low169 Ų169145.7 Ų145.778%0.78281%0.812SS**  trans-84.9137.2-174.6-75.9-107.7000112.2
1163P39.5Very low36.2Very low108 Ų108146.2 Ų146.270%0.70181%0.81SS**  trans-86.5158.6160.436.1-33.2000111.3
1164L41.8Very low36.9Very low144 Ų144143.7 Ų143.775%0.75481%0.809SS**  trans70.5155.5176.6-48176.4000113
1165P36.3Very low38.2Very low125 Ų125149.1 Ų149.181%0.81281%0.812SS**  cis-92.9148.232.634.6-36.4000116.3R1167P1165-R1167 PolarHBondContact O-N 2.98Å
1166T39.6Very low40.4Very low111 Ų111150 Ų15068%0.68180%0.797SS**  trans-39.9124.6153.7-49.90000112.1Q1168T1166-Q1168 HydrophobicContact CG2-CB 4.45Å
1167R33.7Very low42.9Very low243 Ų243148.1 Ų148.192%0.91777%0.772SS**  trans-108.9106.5147.8-145.3176.5-161-96.2-1.8109.1P1165 S1169P1165-R1167 PolarHBondContact O-N 2.98Å; R1167-S1169 PolarHBondContact O-N 2.88Å
1168Q46Very low45.3Very low182 Ų182143.8 Ų143.885%0.8575%0.745SS**  trans-62.998.1175.1-176.3179.51500108.9T1166T1166-Q1168 HydrophobicContact CG2-CB 4.45Å
1169S35.1Very low48.3Very low112 Ų112134.9 Ų134.978%0.78370%0.701SS**  trans-105.3158150.5-159.40000107.8R1167R1167-S1169 PolarHBondContact O-N 2.88Å
1170Q32.3Very low51.3Low179 Ų179131 Ų13184%0.83666%0.66SS**  trans-64.1152.9-175.9-67.2173.8-700110.9E1172Q1170-E1172 PolarHBondContact O-N 3.2Å
1171R38.7Very low54.3Low251 Ų251120 Ų12095%0.94762%0.62SS**  trans-70.481.6156.9-69.4-173.6-173.7-178.42.7107.2A1173R1171-A1173 PolarHBondContact O-N 2.91Å
1172E36.7Very low57.4Low174 Ų174116.4 Ų116.481%0.81358%0.583SS**  trans-59.3109.9158.4-172.7154.1-138.600105.7Q1170 E1174Q1170-E1172 PolarHBondContact O-N 3.2Å; E1172-E1174 PolarHBondContact O-N 3.43Å; E1172-E1174 VanDerWaalsContact O-N 3.17Å
1173A42.8Very low60.5Low76 Ų76112.5 Ų112.563%0.62857%0.565SS**  trans-63.6119.6175.600000106.6R1171 K1175R1171-A1173 PolarHBondContact O-N 2.91Å; A1173-K1175 VanDerWaalsContact C-N 3.33Å; A1173-K1175 PolarHBondContact O-N 2.62Å
1174E49.2Very low63.2Low192 Ų192108.4 Ų108.490%0.89754%0.542SS*.  trans-57.399.2176.7-68178.3161.200107.7E1172 E1176E1172-E1174 PolarHBondContact O-N 3.43Å; E1172-E1174 VanDerWaalsContact O-N 3.17Å; E1174-E1176 PolarHBondContact O-N 3.24Å
1175K61.8Low65.8Low186 Ų186101.6 Ų101.681%0.80951%0.506SS*.  trans-74.1102.6179.8-74.4177.4-177.5170.40106.2A1173A1173-K1175 VanDerWaalsContact C-N 3.33Å; A1173-K1175 PolarHBondContact O-N 2.62Å
1176E74.4Confident68.7Low131 Ų13196.5 Ų96.561%0.61247%0.474SS*.  trans-34.6130168.5-72-75.1179.800110E1174 S1178 P1223E1174-E1176 PolarHBondContact O-N 3.24Å; E1176-S1178 PolarHBondContact O-N 2.88Å; E1176-P1223 HydrophobicContact CB-CB 3.58Å; E1176-P1223 HydrophobicContact CB-CG 3.85Å; E1176-P1223 WeakPolarHBondContact O-CB 3.41Å
1177P85.4Confident71.2Confident30 Ų3097.4 Ų97.420%0.19548%0.479CS..  trans-61111.8-167.520.3-32.9000111.1A1226 L1247P1177-A1226 WeakPolarHBondContact O-CB 3.39Å; P1177-L1247 HydrophobicContact CB-CB 4Å; P1177-L1247 HydrophobicContact CB-CD2 4.45Å; P1177-L1247 HydrophobicContact CG-CB 3.78Å; P1177-L1247 HydrophobicContact CG-CD1 4.04Å; P1177-L1247 HydrophobicContact CG-CD2 4.32Å; P1177-L1247 HydrophobicContact CG-CG 4.26Å; P1177-L1247 WeakPolarHBondContact O-CD2 3.42Å
1178S92.9Very high74.1Confident27 Ų2789 Ų8919%0.18946%0.458CS..  trans-88.9-8.8-179.150.70000113.7E1176 K1219 F1220E1176-S1178 PolarHBondContact O-N 2.88Å; S1178-K1219 WeakPolarHBondContact O-CA 3.28Å; S1178-K1219 VanDerWaalsContact OG-CE 3.3Å; S1178-K1219 WeakPolarHBondContact OG-CE 3.19Å; S1178-F1220 PolarHBondContact O-N 3.43Å
1179T95.9Very high76.4Confident1 Ų180.8 Ų80.81%0.00642%0.42CS..EExtended strand (participates in β ladder)trans-99.4133176.4-48.10000110.8I1217 A1218 K1219 T1248T1179-I1217 HydrophobicContact CG2-CG2 3.36Å; T1179-A1218 CarbonylContact C-O 3.55Å; T1179-A1218 WeakPolarHBondContact CA-O 3.2Å; T1179-A1218 WeakPolarHBondContact CG2-O 3.23Å; T1179-K1219 HydrophobicContact CG2-CB 4.44Å; T1179-T1248 VanDerWaalsContact CB-O 3.28Å; T1179-T1248 WeakPolarHBondContact CB-O 3.26Å; T1179-T1248 PolarHBondContact O-N 3.17Å; T1179-T1248 VanDerWaalsContact O-O 3.12Å; T1179-T1248 PolarHBondContact O-OG1 3.42Å
1180V96.4Very high79.3Confident0 Ų078.9 Ų78.90%040%0.404CS..EExtended strand (participates in β ladder)trans-105.1136.9168.6-63.80000110.8I1182 L1198 I1217 A1218 F1220 A1226 F1229 V1245 S1246 L1247V1180-I1182 HydrophobicContact CG2-CG1 4.4Å; V1180-L1198 HydrophobicContact CG2-CD2 3.77Å; V1180-I1217 WeakPolarHBondContact O-CA 3.21Å; V1180-A1218 HydrophobicContact CG2-CB 4.11Å; V1180-A1218 WeakPolarHBondContact CG2-O 3.32Å; V1180-A1218 PolarHBondContact N-O 3.28Å; V1180-A1218 PolarHBondContact O-N 3.44Å; V1180-F1220 HydrophobicContact CG1-CD2 4.4Å; V1180-F1220 HydrophobicContact CG1-CE2 4.13Å; V1180-F1220 HydrophobicContact CG2-CD2 4.35Å; V1180-F1220 HydrophobicContact CG2-CE2 3.82Å; V1180-A1226 HydrophobicContact CG1-CB 3.89Å; V1180-A1226 WeakPolarHBondContact CG1-O 3.33Å; V1180-F1229 HydrophobicContact CB-CD1 4.33Å; V1180-F1229 HydrophobicContact CG1-CD1 4.15Å; V1180-F1229 HydrophobicContact CG2-CD1 3.99Å; V1180-F1229 HydrophobicContact CG2-CE1 4.24Å; V1180-V1245 HydrophobicContact CB-CG1 4.21Å; V1180-V1245 HydrophobicContact CG1-CG1 4.42Å; V1180-S1246 CarbonylContact C-O 3.43Å; V1180-S1246 WeakPolarHBondContact CA-O 3.46Å; V1180-L1247 HydrophobicContact CG1-CD2 3.93Å
1181C96.9Very high82.3Confident4 Ų474.5 Ų74.53%0.02738%0.383CS..EExtended strand (participates in β ladder)trans-105.4120.8169.7166.90000108.8K1215 V1245 S1246 T1248C1181-K1215 WeakPolarHBondContact SG-CE 3.04Å; C1181-K1215 PolarHBondContact SG-NZ 2.89Å; C1181-V1245 WeakPolarHBondContact O-CA 3.39Å; C1181-S1246 WeakPolarHBondContact CB-OG 3.46Å; C1181-S1246 PolarHBondContact N-O 3.44Å; C1181-S1246 PolarHBondContact O-N 2.86Å; C1181-S1246 PolarHBondContact O-OG 3Å; C1181-S1246 VanDerWaalsContact O-OG 3.1Å; C1181-T1248 HydrophobicContact CB-CG2 3.66Å
1182I97.5Very high85Confident0 Ų069.6 Ų69.60%037%0.369CS..EExtended strand (participates in β ladder)trans-112.1113.9-177.9-50.9175.8000108.2V1180 L1185 L1194 L1198 K1215 A1216 F1229 I1243 V1245V1180-I1182 HydrophobicContact CG2-CG1 4.4Å; I1182-L1185 HydrophobicContact CG2-CD2 3.93Å; I1182-L1185 HydrophobicContact CG2-CG 4.29Å; I1182-L1194 HydrophobicContact CD1-CD1 4.02Å; I1182-L1194 HydrophobicContact CD1-CD2 4.23Å; I1182-L1194 HydrophobicContact CD1-CG 4.25Å; I1182-L1198 HydrophobicContact CD1-CD1 4.43Å; I1182-L1198 HydrophobicContact CD1-CD2 4.17Å; I1182-L1198 HydrophobicContact CD1-CG 4.45Å; I1182-K1215 CarbonylContact O-C 3.53Å; I1182-K1215 VanDerWaalsContact O-CA 3.24Å; I1182-K1215 WeakPolarHBondContact O-CA 3.18Å; I1182-A1216 PolarHBondContact N-O 3.37Å; I1182-A1216 PolarHBondContact O-N 2.92Å; I1182-F1229 HydrophobicContact CD1-CE1 3.56Å; I1182-F1229 HydrophobicContact CD1-CZ 3.69Å; I1182-F1229 HydrophobicContact CG1-CE1 3.98Å; I1182-I1243 HydrophobicContact CG2-CB 3.96Å; I1182-I1243 HydrophobicContact CG2-CD1 3.82Å; I1182-I1243 HydrophobicContact CG2-CG2 4.24Å; I1182-V1245 HydrophobicContact CG1-CG1 4.46Å; I1182-V1245 HydrophobicContact CG1-CG2 4.41Å; I1182-V1245 HydrophobicContact CG2-CG2 4.37Å
1183E97.4Very high87.7Confident87 Ų8764.5 Ų64.541%0.40735%0.346SS..EExtended strand (participates in β ladder)trans-110.9166.1177.5-55-161.416000111.3R1214 K1215 I1243 D1244E1183-R1214 CarbonylContact C-O 3.58Å; E1183-K1215 HydrophobicContact CG-CD 4.11Å; E1183-K1215 HydrophobicContact CG-CG 4.16Å; E1183-K1215 WeakPolarHBondContact OE1-CD 3.46Å; E1183-K1215 WeakPolarHBondContact OE1-CE 3.48Å; E1183-K1215 IonicContact OE1-NZ 2.7Å; E1183-K1215 PolarHBondContact OE1-NZ 2.79Å; E1183-I1243 CarbonylContact O-C 3.19Å; E1183-I1243 WeakPolarHBondContact O-CA 3.31Å; E1183-D1244 PolarHBondContact N-O 2.77Å; E1183-D1244 PolarHBondContact O-N 2.85Å
1184G96.4Very high90.3Very high22 Ų2260.9 Ų60.923%0.22732%0.316CS..SBendtrans83.34.6176.900000116.1R1214 S1241G1184-R1214 PolarHBondContact N-O 2.94Å; G1184-R1214 PolarHBondContact O-NH2 3.4Å; G1184-S1241 WeakPolarHBondContact O-CB 3.32Å
1185L96.9Very high92.5Very high0 Ų055.1 Ų55.10%029%0.288CS..  trans-50.4146.5-179.2-64.7168.2000112.8I1182 T1189 L1194 M1209 R1214 K1215 A1216 I1243I1182-L1185 HydrophobicContact CG2-CD2 3.93Å; I1182-L1185 HydrophobicContact CG2-CG 4.29Å; L1185-T1189 HydrophobicContact CD2-CG2 4.2Å; L1185-L1194 HydrophobicContact CD1-CD2 3.71Å; L1185-L1194 HydrophobicContact CD2-CD1 3.93Å; L1185-L1194 HydrophobicContact CD2-CD2 3.66Å; L1185-L1194 HydrophobicContact CD2-CG 4.45Å; L1185-L1194 HydrophobicContact CG-CD2 4.37Å; L1185-M1209 HydrophobicContact CD1-CE 4.05Å; L1185-R1214 PolarHBondContact N-O 3.19Å; L1185-R1214 WeakPolarHBondContact O-CB 3.49Å; L1185-R1214 PolarHBondContact O-NE 2.85Å; L1185-R1214 PolarHBondContact O-NH2 2.87Å; L1185-R1214 VanDerWaalsContact O-NH2 3.12Å; L1185-K1215 VanDerWaalsContact CD1-C 3.48Å; L1185-A1216 HydrophobicContact CD1-CB 3.74Å; L1185-I1243 HydrophobicContact CD2-CG2 3.77Å; L1185-I1243 HydrophobicContact CG-CG2 4.41Å
1186S96.2Very high94.2Very high18 Ų1849.6 Ų49.613%0.12627%0.267CS..  trans-71.6154.3172.9-174.20000110.8S1188 T1189S1186-S1188 WeakPolarHBondContact CB-OG 3.4Å; S1186-S1188 PolarHBondContact O-N 3.31Å; S1186-S1188 PolarHBondContact OG-N 3.2Å; S1186-S1188 PolarHBondContact OG-OG 3.22Å; S1186-T1189 WeakPolarHBondContact CB-OG1 3.07Å; S1186-T1189 PolarHBondContact N-OG1 3.11Å; S1186-T1189 WeakPolarHBondContact O-CB 3.23Å; S1186-T1189 PolarHBondContact O-N 2.82Å; S1186-T1189 VanDerWaalsContact O-N 3.15Å
1187T92.7Very high95.2Very high130 Ų13045.1 Ų45.180%0.79825%0.247SC*.THydrogen-bonded Turntrans-69-11.8169.153.50000113
1188S93.8Very high95.7Very high68 Ų6843.7 Ų43.748%0.47624%0.238SC..THydrogen-bonded Turntrans-87.2-17.7170.657.50000113.9S1186 T1190 D1239S1186-S1188 WeakPolarHBondContact CB-OG 3.4Å; S1186-S1188 PolarHBondContact O-N 3.31Å; S1186-S1188 PolarHBondContact OG-N 3.2Å; S1186-S1188 PolarHBondContact OG-OG 3.22Å; S1188-T1190 PolarHBondContact O-N 3.07Å; S1188-D1239 VanDerWaalsContact C-OD2 3.27Å; S1188-D1239 WeakPolarHBondContact OG-CB 3.46Å; S1188-D1239 VanDerWaalsContact OG-CG 3.27Å; S1188-D1239 PolarHBondContact OG-OD2 3.49Å
1189T95.6Very high95.9Very high9 Ų947.8 Ų47.86%0.05526%0.255CS..  trans-70.1127.3-170.4-60.50000109.6L1185 S1186 M1209 I1238 D1239L1185-T1189 HydrophobicContact CD2-CG2 4.2Å; S1186-T1189 WeakPolarHBondContact CB-OG1 3.07Å; S1186-T1189 PolarHBondContact N-OG1 3.11Å; S1186-T1189 WeakPolarHBondContact O-CB 3.23Å; S1186-T1189 PolarHBondContact O-N 2.82Å; S1186-T1189 VanDerWaalsContact O-N 3.15Å; T1189-M1209 WeakPolarHBondContact O-CE 3.45Å; T1189-I1238 HydrophobicContact CG2-CG2 3.78Å; T1189-D1239 WeakPolarHBondContact CA-OD2 3.24Å; T1189-D1239 WeakPolarHBondContact CB-OD2 3.09Å; T1189-D1239 PolarHBondContact N-OD2 3.28Å; T1189-D1239 PolarHBondContact OG1-OD2 3.16Å
1190T95.4Very high95.9Very high71 Ų7151.6 Ų51.644%0.43628%0.282SS..  trans-91.5150.5-17863.20000111.2S1188 F1192 Q1193 L1194S1188-T1190 PolarHBondContact O-N 3.07Å; T1190-F1192 PolarHBondContact O-N 3.26Å; T1190-Q1193 WeakPolarHBondContact O-CB 3.44Å; T1190-Q1193 PolarHBondContact O-N 3.02Å; T1190-Q1193 WeakPolarHBondContact OG1-CB 3.37Å; T1190-Q1193 PolarHBondContact OG1-N 2.86Å; T1190-L1194 PolarHBondContact O-N 3.42Å; T1190-L1194 VanDerWaalsContact O-N 3.08Å
1191E95.1Very high95.9Very high87 Ų8753.9 Ų53.941%0.40729%0.294SS..Hα-helixtrans-56.2-40.2172.5159.6156.7-171.400111.9L1194 K1195 F1207 M1209E1191-L1194 PolarHBondContact O-N 3.2Å; E1191-K1195 HydrophobicContact CG-CD 3.87Å; E1191-K1195 HydrophobicContact CG-CG 4.38Å; E1191-K1195 VanDerWaalsContact O-CB 3.3Å; E1191-K1195 WeakPolarHBondContact O-CB 3.22Å; E1191-K1195 WeakPolarHBondContact O-CG 3.39Å; E1191-K1195 PolarHBondContact O-N 2.95Å; E1191-K1195 WeakPolarHBondContact OE1-CE 3.36Å; E1191-K1195 IonicContact OE1-NZ 3.62Å; E1191-K1195 PolarHBondContact OE1-NZ 3.38Å; E1191-F1207 HydrophobicContact CB-CE1 4.06Å; E1191-F1207 HydrophobicContact CG-CD1 4.1Å; E1191-F1207 HydrophobicContact CG-CE1 3.48Å; E1191-F1207 VanDerWaalsContact CG-CE1 3.48Å; E1191-F1207 HydrophobicContact CG-CZ 4.26Å; E1191-F1207 WeakPolarHBondContact OE1-CD1 3.3Å; E1191-M1209 HydrophobicContact CB-SD 4.12Å
1192F95.1Very high95.8Very high148 Ų14854.2 Ų54.265%0.64930%0.298SS*.Hα-helixtrans-61.8-46.1176.5-178.4-113.4000112.5T1190 L1194 K1195 N1196T1190-F1192 PolarHBondContact O-N 3.26Å; F1192-L1194 VanDerWaalsContact C-N 3.33Å; F1192-L1194 PolarHBondContact O-N 2.84Å; F1192-K1195 PolarHBondContact O-N 2.82Å; F1192-N1196 WeakPolarHBondContact CD1-ND2 3.23Å; F1192-N1196 WeakPolarHBondContact CE1-ND2 3.41Å; F1192-N1196 WeakPolarHBondContact CE2-ND2 3.48Å; F1192-N1196 WeakPolarHBondContact CZ-ND2 3.45Å; F1192-N1196 WeakPolarHBondContact O-CB 3.24Å; F1192-N1196 PolarHBondContact O-N 3.33Å; F1192-N1196 PolarHBondContact O-ND2 2.94Å
1193Q94.8Very high95.7Very high68 Ų6857.9 Ų57.932%0.31832%0.321SS..Hα-helixtrans-59.6-42.7176.3178.6-174.915.200112T1190 L1197 D1239T1190-Q1193 WeakPolarHBondContact O-CB 3.44Å; T1190-Q1193 PolarHBondContact O-N 3.02Å; T1190-Q1193 WeakPolarHBondContact OG1-CB 3.37Å; T1190-Q1193 PolarHBondContact OG1-N 2.86Å; Q1193-L1197 PolarHBondContact O-N 3.08Å; Q1193-L1197 VanDerWaalsContact O-N 3.13Å; Q1193-D1239 PolarHBondContact NE2-OD1 2.86Å
1194L96.3Very high95.6Very high0 Ų055.4 Ų55.40%031%0.311CS..Hα-helixtrans-76-37.9-179-164.262.7000112.5I1182 L1185 T1190 E1191 F1192 L1197 L1198 F1207 A1216 I1238I1182-L1194 HydrophobicContact CD1-CD1 4.02Å; I1182-L1194 HydrophobicContact CD1-CD2 4.23Å; I1182-L1194 HydrophobicContact CD1-CG 4.25Å; L1185-L1194 HydrophobicContact CD1-CD2 3.71Å; L1185-L1194 HydrophobicContact CD2-CD1 3.93Å; L1185-L1194 HydrophobicContact CD2-CD2 3.66Å; L1185-L1194 HydrophobicContact CD2-CG 4.45Å; L1185-L1194 HydrophobicContact CG-CD2 4.37Å; T1190-L1194 PolarHBondContact O-N 3.42Å; T1190-L1194 VanDerWaalsContact O-N 3.08Å; E1191-L1194 PolarHBondContact O-N 3.2Å; F1192-L1194 VanDerWaalsContact C-N 3.33Å; F1192-L1194 PolarHBondContact O-N 2.84Å; L1194-L1197 HydrophobicContact CD1-CD2 4.48Å; L1194-L1197 PolarHBondContact O-N 3.21Å; L1194-L1198 HydrophobicContact CG-CD1 4.49Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.16Å; L1194-L1198 WeakPolarHBondContact O-CG 3.46Å; L1194-L1198 PolarHBondContact O-N 3.43Å; L1194-F1207 HydrophobicContact CB-CE2 4.17Å; L1194-F1207 HydrophobicContact CB-CZ 4.14Å; L1194-F1207 HydrophobicContact CD2-CE2 3.91Å; L1194-F1207 HydrophobicContact CD2-CZ 3.98Å; L1194-F1207 HydrophobicContact CG-CE2 3.99Å; L1194-F1207 HydrophobicContact CG-CZ 4.3Å; L1194-A1216 HydrophobicContact CD2-CB 3.51Å; L1194-I1238 HydrophobicContact CD1-CD1 3.76Å
1195K95.8Very high95.6Very high70 Ų7059.7 Ų59.730%0.30433%0.325SS..Hα-helixtrans-58.2-47.8170.2-83.8177162166.10111.4E1191 F1192 L1197 L1198 M1199 I1204 F1207E1191-K1195 HydrophobicContact CG-CD 3.87Å; E1191-K1195 HydrophobicContact CG-CG 4.38Å; E1191-K1195 VanDerWaalsContact O-CB 3.3Å; E1191-K1195 WeakPolarHBondContact O-CB 3.22Å; E1191-K1195 WeakPolarHBondContact O-CG 3.39Å; E1191-K1195 PolarHBondContact O-N 2.95Å; E1191-K1195 WeakPolarHBondContact OE1-CE 3.36Å; E1191-K1195 IonicContact OE1-NZ 3.62Å; E1191-K1195 PolarHBondContact OE1-NZ 3.38Å; F1192-K1195 PolarHBondContact O-N 2.82Å; K1195-L1197 VanDerWaalsContact C-N 3.3Å; K1195-L1197 PolarHBondContact O-N 3.04Å; K1195-L1198 PolarHBondContact O-N 2.68Å; K1195-M1199 WeakPolarHBondContact O-CB 3.47Å; K1195-M1199 VanDerWaalsContact O-CG 3.25Å; K1195-M1199 WeakPolarHBondContact O-CG 3.33Å; K1195-M1199 PolarHBondContact O-N 2.98Å; K1195-I1204 HydrophobicContact CG-CD1 4.36Å; K1195-F1207 HydrophobicContact CD-CD1 4.16Å; K1195-F1207 HydrophobicContact CD-CG 4.35Å; K1195-F1207 VanDerWaalsContact CE-CD1 3.45Å; K1195-F1207 HydrophobicContact CG-CB 4.31Å; K1195-F1207 HydrophobicContact CG-CD1 3.91Å; K1195-F1207 HydrophobicContact CG-CD2 3.89Å; K1195-F1207 HydrophobicContact CG-CE1 4.14Å; K1195-F1207 HydrophobicContact CG-CE2 4.14Å; K1195-F1207 HydrophobicContact CG-CG 3.76Å; K1195-F1207 HydrophobicContact CG-CZ 4.25Å
1196N96.6Very high95.4Very high70 Ų7063.8 Ų63.837%0.37435%0.345SS..Hα-helixtrans-61.4-38.2177.1-69.2-21.8000112.2F1192 M1199 S1200F1192-N1196 WeakPolarHBondContact CD1-ND2 3.23Å; F1192-N1196 WeakPolarHBondContact CE1-ND2 3.41Å; F1192-N1196 WeakPolarHBondContact CE2-ND2 3.48Å; F1192-N1196 WeakPolarHBondContact CZ-ND2 3.45Å; F1192-N1196 WeakPolarHBondContact O-CB 3.24Å; F1192-N1196 PolarHBondContact O-N 3.33Å; F1192-N1196 PolarHBondContact O-ND2 2.94Å; N1196-M1199 PolarHBondContact O-N 3.46Å; N1196-S1200 PolarHBondContact O-N 3.22Å
1197L96.1Very high95.5Very high37 Ų3764.4 Ų64.419%0.19435%0.345CS..Hα-helixtrans-65.4-44176.8-165.670000111.9Q1193 L1194 K1195 S1200 F1229 F1233 I1238Q1193-L1197 PolarHBondContact O-N 3.08Å; Q1193-L1197 VanDerWaalsContact O-N 3.13Å; L1194-L1197 HydrophobicContact CD1-CD2 4.48Å; L1194-L1197 PolarHBondContact O-N 3.21Å; K1195-L1197 VanDerWaalsContact C-N 3.3Å; K1195-L1197 PolarHBondContact O-N 3.04Å; L1197-S1200 PolarHBondContact O-N 2.87Å; L1197-S1200 PolarHBondContact O-OG 3.43Å; L1197-F1229 HydrophobicContact CD2-CE2 4.4Å; L1197-F1229 HydrophobicContact CD2-CZ 4.47Å; L1197-F1229 HydrophobicContact CG-CE2 4.19Å; L1197-F1233 HydrophobicContact CD1-CD1 4.28Å; L1197-F1233 HydrophobicContact CD1-CE1 3.58Å; L1197-F1233 HydrophobicContact CD1-CZ 3.74Å; L1197-F1233 HydrophobicContact CD2-CD1 3.97Å; L1197-F1233 HydrophobicContact CD2-CE1 4.12Å; L1197-F1233 HydrophobicContact CD2-CG 4.41Å; L1197-F1233 HydrophobicContact CG-CD1 4.28Å; L1197-F1233 HydrophobicContact CG-CE1 4Å; L1197-F1233 HydrophobicContact CG-CE2 4.49Å; L1197-F1233 HydrophobicContact CG-CZ 4.11Å; L1197-I1238 HydrophobicContact CD2-CD1 3.48Å; L1197-I1238 VanDerWaalsContact CD2-CD1 3.48Å; L1197-I1238 HydrophobicContact CD2-CG1 4.29Å
1198L96.9Very high95.7Very high0 Ų064.2 Ų64.20%033%0.334CS..Hα-helixtrans-61.8-50.7173.9-74.5157.4000111.6V1180 I1182 L1194 K1195 S1200 I1201 G1202 I1204 F1207 A1218 F1220 F1229V1180-L1198 HydrophobicContact CG2-CD2 3.77Å; I1182-L1198 HydrophobicContact CD1-CD1 4.43Å; I1182-L1198 HydrophobicContact CD1-CD2 4.17Å; I1182-L1198 HydrophobicContact CD1-CG 4.45Å; L1194-L1198 HydrophobicContact CG-CD1 4.49Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.16Å; L1194-L1198 WeakPolarHBondContact O-CG 3.46Å; L1194-L1198 PolarHBondContact O-N 3.43Å; K1195-L1198 PolarHBondContact O-N 2.68Å; L1198-S1200 PolarHBondContact O-N 2.93Å; L1198-S1200 VanDerWaalsContact O-N 3.14Å; L1198-I1201 PolarHBondContact O-N 3.16Å; L1198-G1202 PolarHBondContact O-N 3.03Å; L1198-I1204 HydrophobicContact CB-CD1 4.12Å; L1198-I1204 HydrophobicContact CB-CG2 4.07Å; L1198-I1204 HydrophobicContact CD1-CD1 4.35Å; L1198-F1207 HydrophobicContact CD1-CD2 3.47Å; L1198-F1207 VanDerWaalsContact CD1-CD2 3.47Å; L1198-F1207 HydrophobicContact CD1-CE2 3.6Å; L1198-A1218 HydrophobicContact CD1-CB 3.44Å; L1198-A1218 VanDerWaalsContact CD1-CB 3.44Å; L1198-A1218 HydrophobicContact CD2-CB 3.84Å; L1198-A1218 HydrophobicContact CG-CB 4.3Å; L1198-F1220 HydrophobicContact CB-CZ 4.2Å; L1198-F1220 HydrophobicContact CD2-CE2 3.63Å; L1198-F1220 HydrophobicContact CD2-CZ 3.5Å; L1198-F1220 HydrophobicContact CG-CZ 4.48Å; L1198-F1220 WeakPolarHBondContact O-CE1 3.36Å; L1198-F1229 HydrophobicContact CB-CE2 4.47Å; L1198-F1229 HydrophobicContact CD2-CD1 4.06Å; L1198-F1229 HydrophobicContact CD2-CD2 3.93Å; L1198-F1229 HydrophobicContact CD2-CE1 3.84Å; L1198-F1229 HydrophobicContact CD2-CE2 3.7Å; L1198-F1229 HydrophobicContact CD2-CG 4.12Å; L1198-F1229 HydrophobicContact CD2-CZ 3.67Å; L1198-F1229 HydrophobicContact CG-CE2 3.96Å; L1198-F1229 HydrophobicContact CG-CZ 4.06Å
1199M96.3Very high95.8Very high114 Ų11462.3 Ų62.356%0.56232%0.318SS*.Hα-helixtrans-61.9-21.8179.9-70.3174.870.200113.1K1195 N1196 I1201 G1202 I1204K1195-M1199 WeakPolarHBondContact O-CB 3.47Å; K1195-M1199 VanDerWaalsContact O-CG 3.25Å; K1195-M1199 WeakPolarHBondContact O-CG 3.33Å; K1195-M1199 PolarHBondContact O-N 2.98Å; N1196-M1199 PolarHBondContact O-N 3.46Å; M1199-I1201 PolarHBondContact O-N 3.02Å; M1199-G1202 WeakPolarHBondContact CA-O 3.44Å; M1199-G1202 PolarHBondContact O-N 3.35Å; M1199-I1204 HydrophobicContact CG-CD1 3.92Å; M1199-I1204 HydrophobicContact CG-CG1 3.96Å; M1199-I1204 HydrophobicContact SD-CD1 4.5Å
1200S96Very high95.8Very high81 Ų8163.6 Ų63.657%0.56632%0.324SS*.THydrogen-bonded Turntrans-68.9-18.6173.279.40000114.4N1196 L1197 L1198N1196-S1200 PolarHBondContact O-N 3.22Å; L1197-S1200 PolarHBondContact O-N 2.87Å; L1197-S1200 PolarHBondContact O-OG 3.43Å; L1198-S1200 PolarHBondContact O-N 2.93Å; L1198-S1200 VanDerWaalsContact O-N 3.14Å
1201I96.3Very high95.6Very high47 Ų4764.1 Ų64.124%0.24133%0.328CS..THydrogen-bonded Turntrans-96.9-29.1171.2-62.1-62.5000111.8L1198 M1199 F1220 H1225 F1229 F1233L1198-I1201 PolarHBondContact O-N 3.16Å; M1199-I1201 PolarHBondContact O-N 3.02Å; I1201-F1220 HydrophobicContact CB-CE1 4.34Å; I1201-F1220 HydrophobicContact CB-CZ 4.5Å; I1201-F1220 HydrophobicContact CG2-CE1 4.49Å; I1201-H1225 HydrophobicContact CG2-CB 4.03Å; I1201-H1225 VanDerWaalsContact CG2-O 3.3Å; I1201-H1225 WeakPolarHBondContact CG2-O 3.36Å; I1201-F1229 HydrophobicContact CB-CB 4.39Å; I1201-F1229 HydrophobicContact CB-CD2 4.42Å; I1201-F1229 HydrophobicContact CG1-CB 4.27Å; I1201-F1229 HydrophobicContact CG1-CD2 3.94Å; I1201-F1229 HydrophobicContact CG2-CB 4.19Å; I1201-F1233 HydrophobicContact CD1-CE2 3.93Å; I1201-F1233 HydrophobicContact CG1-CD2 4.37Å; I1201-F1233 HydrophobicContact CG1-CE2 3.71Å
1202G94.3Very high95.5Very high11 Ų1169.4 Ų69.411%0.11335%0.353CS..  trans162.9178.1170.800000114.5L1198 M1199L1198-G1202 PolarHBondContact O-N 3.03Å; M1199-G1202 WeakPolarHBondContact CA-O 3.44Å; M1199-G1202 PolarHBondContact O-N 3.35Å
1203P95.9Very high95.5Very high77 Ų7768.5 Ų68.550%0.535%0.35SS..  trans-59.7138-178.523.8-34.8000112.8F1220 S1221P1203-F1220 WeakPolarHBondContact O-CA 3.32Å; P1203-S1221 PolarHBondContact O-N 3.15Å
1204I95.9Very high95.6Very high36 Ų3670.5 Ų70.519%0.18536%0.355CS..EExtended strand (participates in β ladder)trans-113131.917653.9-179.4000110.4K1195 L1198 M1199 F1207 K1219 F1220K1195-I1204 HydrophobicContact CG-CD1 4.36Å; L1198-I1204 HydrophobicContact CB-CD1 4.12Å; L1198-I1204 HydrophobicContact CB-CG2 4.07Å; L1198-I1204 HydrophobicContact CD1-CD1 4.35Å; M1199-I1204 HydrophobicContact CG-CD1 3.92Å; M1199-I1204 HydrophobicContact CG-CG1 3.96Å; M1199-I1204 HydrophobicContact SD-CD1 4.5Å; I1204-F1207 HydrophobicContact CD1-CB 4.31Å; I1204-K1219 CarbonylContact C-O 3.02Å; I1204-K1219 WeakPolarHBondContact CA-O 3.5Å; I1204-K1219 WeakPolarHBondContact CB-O 3.37Å; I1204-F1220 HydrophobicContact CG2-CD1 3.6Å; I1204-F1220 HydrophobicContact CG2-CD2 4.44Å; I1204-F1220 HydrophobicContact CG2-CE1 3.68Å; I1204-F1220 HydrophobicContact CG2-CG 4.03Å; I1204-F1220 HydrophobicContact CG2-CZ 4.16Å
1205E95.1Very high95.6Very high112 Ų11272.6 Ų72.652%0.52336%0.364SS..EExtended strand (participates in β ladder)trans-82.6-33.8176.4-57.2-177.516700111.8K1219 S1221E1205-K1219 PolarHBondContact N-O 2.99Å; E1205-K1219 WeakPolarHBondContact OE2-CD 3.5Å; E1205-K1219 VanDerWaalsContact OE2-CE 3.3Å; E1205-K1219 WeakPolarHBondContact OE2-CE 3.46Å; E1205-K1219 IonicContact OE2-NZ 2.81Å; E1205-K1219 PolarHBondContact OE2-NZ 2.79Å; E1205-S1221 VanDerWaalsContact CG-OG 3.29Å; E1205-S1221 WeakPolarHBondContact CG-OG 3.48Å
1206M94.3Very high95.7Very high86 Ų8669.2 Ų69.242%0.42435%0.35SS..EExtended strand (participates in β ladder)trans-141142.3-175.4178.1178.457.200109.8A1218 K1219M1206-A1218 CarbonylContact O-C 3.6Å; M1206-A1218 VanDerWaalsContact O-CA 3.25Å; M1206-A1218 WeakPolarHBondContact O-CA 3.5Å; M1206-K1219 HydrophobicContact CB-CB 4.02Å; M1206-K1219 HydrophobicContact CE-CB 3.99Å; M1206-K1219 PolarHBondContact N-O 3.33Å; M1206-K1219 PolarHBondContact O-N 3.44Å
1207F96.6Very high95.7Very high30 Ų3067.8 Ų67.813%0.13234%0.342CS..EExtended strand (participates in β ladder)trans-141.1135.2167.8176.7-87.6000109.7E1191 L1194 K1195 L1198 I1204 M1209 A1216 A1218E1191-F1207 HydrophobicContact CB-CE1 4.06Å; E1191-F1207 HydrophobicContact CG-CD1 4.1Å; E1191-F1207 HydrophobicContact CG-CE1 3.48Å; E1191-F1207 VanDerWaalsContact CG-CE1 3.48Å; E1191-F1207 HydrophobicContact CG-CZ 4.26Å; E1191-F1207 WeakPolarHBondContact OE1-CD1 3.3Å; L1194-F1207 HydrophobicContact CB-CE2 4.17Å; L1194-F1207 HydrophobicContact CB-CZ 4.14Å; L1194-F1207 HydrophobicContact CD2-CE2 3.91Å; L1194-F1207 HydrophobicContact CD2-CZ 3.98Å; L1194-F1207 HydrophobicContact CG-CE2 3.99Å; L1194-F1207 HydrophobicContact CG-CZ 4.3Å; K1195-F1207 HydrophobicContact CD-CD1 4.16Å; K1195-F1207 HydrophobicContact CD-CG 4.35Å; K1195-F1207 VanDerWaalsContact CE-CD1 3.45Å; K1195-F1207 HydrophobicContact CG-CB 4.31Å; K1195-F1207 HydrophobicContact CG-CD1 3.91Å; K1195-F1207 HydrophobicContact CG-CD2 3.89Å; K1195-F1207 HydrophobicContact CG-CE1 4.14Å; K1195-F1207 HydrophobicContact CG-CE2 4.14Å; K1195-F1207 HydrophobicContact CG-CG 3.76Å; K1195-F1207 HydrophobicContact CG-CZ 4.25Å; L1198-F1207 HydrophobicContact CD1-CD2 3.47Å; L1198-F1207 VanDerWaalsContact CD1-CD2 3.47Å; L1198-F1207 HydrophobicContact CD1-CE2 3.6Å; I1204-F1207 HydrophobicContact CD1-CB 4.31Å; F1207-M1209 HydrophobicContact CE1-CB 3.64Å; F1207-M1209 HydrophobicContact CZ-CB 3.87Å; F1207-A1216 HydrophobicContact CE2-CB 4.3Å; F1207-A1216 HydrophobicContact CZ-CB 4.34Å; F1207-A1218 HydrophobicContact CD2-CB 3.98Å
1208K96.9Very high95.8Very high127 Ų12766 Ų6655%0.55233%0.332SS*.EExtended strand (participates in β ladder)trans-141.1106.2175.8-177.6174.7-178.7173.80109.9M1210 A1216 I1217K1208-M1210 HydrophobicContact CG-CG 4.38Å; K1208-A1216 CarbonylContact O-C 3.57Å; K1208-A1216 VanDerWaalsContact O-CA 3.31Å; K1208-A1216 WeakPolarHBondContact O-CA 3.29Å; K1208-I1217 PolarHBondContact N-O 3.18Å; K1208-I1217 PolarHBondContact O-N 3.48Å
1209M95.9Very high95.7Very high28 Ų2869 Ų6914%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-83.2144.6170-165.2164.1178.100110.8L1185 T1189 E1191 F1207 P1211 A1216L1185-M1209 HydrophobicContact CD1-CE 4.05Å; T1189-M1209 WeakPolarHBondContact O-CE 3.45Å; E1191-M1209 HydrophobicContact CB-SD 4.12Å; F1207-M1209 HydrophobicContact CE1-CB 3.64Å; F1207-M1209 HydrophobicContact CZ-CB 3.87Å; M1209-P1211 HydrophobicContact CE-CG 4.29Å; M1209-P1211 HydrophobicContact CG-CG 3.98Å; M1209-P1211 HydrophobicContact SD-CG 4.43Å; M1209-A1216 HydrophobicContact CB-CB 4.46Å; M1209-A1216 HydrophobicContact CG-CB 4.37Å
1210M96Very high95.7Very high36 Ų3663.6 Ų63.618%0.17732%0.319CS..EExtended strand (participates in β ladder)trans-131.275.1176-62-174.4-66.900108.4K1208 Q1212 Q1213 R1214 K1215 I1217K1208-M1210 HydrophobicContact CG-CG 4.38Å; M1210-Q1212 PolarHBondContact O-N 3.23Å; M1210-Q1213 HydrophobicContact CB-CB 4.19Å; M1210-Q1213 HydrophobicContact CB-CG 4.39Å; M1210-Q1213 CarbonylContact O-C 3.57Å; M1210-Q1213 WeakPolarHBondContact O-CA 3.46Å; M1210-Q1213 PolarHBondContact O-N 3.08Å; M1210-R1214 PolarHBondContact O-N 3.09Å; M1210-K1215 CarbonylContact C-O 3.48Å; M1210-K1215 WeakPolarHBondContact CA-O 3.38Å; M1210-K1215 HydrophobicContact CE-CB 4.32Å; M1210-K1215 HydrophobicContact CE-CD 3.86Å; M1210-K1215 HydrophobicContact CE-CG 3.82Å; M1210-K1215 PolarHBondContact N-O 3.39Å; M1210-K1215 PolarHBondContact O-N 2.84Å; M1210-I1217 HydrophobicContact CE-CD1 3.89Å; M1210-I1217 HydrophobicContact CE-CG1 4.17Å
1211P92.1Very high95.7Very high81 Ų8162.7 Ų62.753%0.52631%0.312SS..G310 helixtrans-57.8-35.8-171-24.834000113.5M1209 Q1213 R1214M1209-P1211 HydrophobicContact CE-CG 4.29Å; M1209-P1211 HydrophobicContact CG-CG 3.98Å; M1209-P1211 HydrophobicContact SD-CG 4.43Å; P1211-Q1213 PolarHBondContact O-N 3.1Å; P1211-R1214 PolarHBondContact O-N 2.92Å
1212Q91.9Very high95.5Very high199 Ų19963.5 Ų63.593%0.9332%0.317SS*.G310 helixtrans-60.3-30175.8-62.2-179.53.700113.2M1210M1210-Q1212 PolarHBondContact O-N 3.23Å
1213Q95.8Very high95.5Very high128 Ų12865 Ų6560%0.59832%0.324SS*.G310 helixtrans-94.1-1.6176.3-62.2-177.44.900112.6M1210 P1211 K1215M1210-Q1213 HydrophobicContact CB-CB 4.19Å; M1210-Q1213 HydrophobicContact CB-CG 4.39Å; M1210-Q1213 CarbonylContact O-C 3.57Å; M1210-Q1213 WeakPolarHBondContact O-CA 3.46Å; M1210-Q1213 PolarHBondContact O-N 3.08Å; P1211-Q1213 PolarHBondContact O-N 3.1Å; Q1213-K1215 HydrophobicContact CB-CB 3.93Å; Q1213-K1215 PolarHBondContact O-N 2.91Å
1214R96.6Very high95.4Very high110 Ų11067.1 Ų67.142%0.41533%0.328SS..THydrogen-bonded Turntrans51.835.6-169.7-60.6-178.161.5-161.6-6.4112.7E1183 G1184 L1185 M1210 P1211E1183-R1214 CarbonylContact C-O 3.58Å; G1184-R1214 PolarHBondContact N-O 2.94Å; G1184-R1214 PolarHBondContact O-NH2 3.4Å; L1185-R1214 PolarHBondContact N-O 3.19Å; L1185-R1214 WeakPolarHBondContact O-CB 3.49Å; L1185-R1214 PolarHBondContact O-NE 2.85Å; L1185-R1214 PolarHBondContact O-NH2 2.87Å; L1185-R1214 VanDerWaalsContact O-NH2 3.12Å; M1210-R1214 PolarHBondContact O-N 3.09Å; P1211-R1214 PolarHBondContact O-N 2.92Å
1215K97Very high95.4Very high44 Ų4467.7 Ų67.719%0.19133%0.33CS..EExtended strand (participates in β ladder)trans-130.6151.9-170.3178.7167.7178.3144.90111.2C1181 I1182 E1183 L1185 M1210 Q1213C1181-K1215 WeakPolarHBondContact SG-CE 3.04Å; C1181-K1215 PolarHBondContact SG-NZ 2.89Å; I1182-K1215 CarbonylContact O-C 3.53Å; I1182-K1215 VanDerWaalsContact O-CA 3.24Å; I1182-K1215 WeakPolarHBondContact O-CA 3.18Å; E1183-K1215 HydrophobicContact CG-CD 4.11Å; E1183-K1215 HydrophobicContact CG-CG 4.16Å; E1183-K1215 WeakPolarHBondContact OE1-CD 3.46Å; E1183-K1215 WeakPolarHBondContact OE1-CE 3.48Å; E1183-K1215 IonicContact OE1-NZ 2.7Å; E1183-K1215 PolarHBondContact OE1-NZ 2.79Å; L1185-K1215 VanDerWaalsContact CD1-C 3.48Å; M1210-K1215 CarbonylContact C-O 3.48Å; M1210-K1215 WeakPolarHBondContact CA-O 3.38Å; M1210-K1215 HydrophobicContact CE-CB 4.32Å; M1210-K1215 HydrophobicContact CE-CD 3.86Å; M1210-K1215 HydrophobicContact CE-CG 3.82Å; M1210-K1215 PolarHBondContact N-O 3.39Å; M1210-K1215 PolarHBondContact O-N 2.84Å; Q1213-K1215 HydrophobicContact CB-CB 3.93Å; Q1213-K1215 PolarHBondContact O-N 2.91Å
1216A97.4Very high95.4Very high0 Ų062.3 Ų62.30%031%0.305CS..EExtended strand (participates in β ladder)trans-138.9156.4164.200000110.2I1182 L1185 L1194 F1207 K1208 M1209I1182-A1216 PolarHBondContact N-O 3.37Å; I1182-A1216 PolarHBondContact O-N 2.92Å; L1185-A1216 HydrophobicContact CD1-CB 3.74Å; L1194-A1216 HydrophobicContact CD2-CB 3.51Å; F1207-A1216 HydrophobicContact CE2-CB 4.3Å; F1207-A1216 HydrophobicContact CZ-CB 4.34Å; K1208-A1216 CarbonylContact O-C 3.57Å; K1208-A1216 VanDerWaalsContact O-CA 3.31Å; K1208-A1216 WeakPolarHBondContact O-CA 3.29Å; M1209-A1216 HydrophobicContact CB-CB 4.46Å; M1209-A1216 HydrophobicContact CG-CB 4.37Å
1217I96.9Very high95.4Very high40 Ų4059.6 Ų59.621%0.20530%0.295CS..EExtended strand (participates in β ladder)trans-127.7132.3174-58.7175.2000106.9T1179 V1180 K1208 M1210T1179-I1217 HydrophobicContact CG2-CG2 3.36Å; V1180-I1217 WeakPolarHBondContact O-CA 3.21Å; K1208-I1217 PolarHBondContact N-O 3.18Å; K1208-I1217 PolarHBondContact O-N 3.48Å; M1210-I1217 HydrophobicContact CE-CD1 3.89Å; M1210-I1217 HydrophobicContact CE-CG1 4.17Å
1218A96.8Very high95.4Very high0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-141.1137.7178.900000111.2T1179 V1180 L1198 M1206 F1207T1179-A1218 CarbonylContact C-O 3.55Å; T1179-A1218 WeakPolarHBondContact CA-O 3.2Å; T1179-A1218 WeakPolarHBondContact CG2-O 3.23Å; V1180-A1218 HydrophobicContact CG2-CB 4.11Å; V1180-A1218 WeakPolarHBondContact CG2-O 3.32Å; V1180-A1218 PolarHBondContact N-O 3.28Å; V1180-A1218 PolarHBondContact O-N 3.44Å; L1198-A1218 HydrophobicContact CD1-CB 3.44Å; L1198-A1218 VanDerWaalsContact CD1-CB 3.44Å; L1198-A1218 HydrophobicContact CD2-CB 3.84Å; L1198-A1218 HydrophobicContact CG-CB 4.3Å; M1206-A1218 CarbonylContact O-C 3.6Å; M1206-A1218 VanDerWaalsContact O-CA 3.25Å; M1206-A1218 WeakPolarHBondContact O-CA 3.5Å; F1207-A1218 HydrophobicContact CD2-CB 3.98Å
1219K96.1Very high95.4Very high63 Ų6354.3 Ų54.327%0.27428%0.278SS..EExtended strand (participates in β ladder)trans-109.3125.4178.3-170.2-174.1175.9-145.10110.1S1178 T1179 I1204 E1205 M1206S1178-K1219 WeakPolarHBondContact O-CA 3.28Å; S1178-K1219 VanDerWaalsContact OG-CE 3.3Å; S1178-K1219 WeakPolarHBondContact OG-CE 3.19Å; T1179-K1219 HydrophobicContact CG2-CB 4.44Å; I1204-K1219 CarbonylContact C-O 3.02Å; I1204-K1219 WeakPolarHBondContact CA-O 3.5Å; I1204-K1219 WeakPolarHBondContact CB-O 3.37Å; E1205-K1219 PolarHBondContact N-O 2.99Å; E1205-K1219 WeakPolarHBondContact OE2-CD 3.5Å; E1205-K1219 VanDerWaalsContact OE2-CE 3.3Å; E1205-K1219 WeakPolarHBondContact OE2-CE 3.46Å; E1205-K1219 IonicContact OE2-NZ 2.81Å; E1205-K1219 PolarHBondContact OE2-NZ 2.79Å; M1206-K1219 HydrophobicContact CB-CB 4.02Å; M1206-K1219 HydrophobicContact CE-CB 3.99Å; M1206-K1219 PolarHBondContact N-O 3.33Å; M1206-K1219 PolarHBondContact O-N 3.44Å
1220F96.3Very high95.4Very high0 Ų055.6 Ų55.60%028%0.284CS..EExtended strand (participates in β ladder)trans-85.2148.2173.1-73.6-87.1000111.4S1178 V1180 L1198 I1201 P1203 I1204 N1222 H1225 A1226 F1229S1178-F1220 PolarHBondContact O-N 3.43Å; V1180-F1220 HydrophobicContact CG1-CD2 4.4Å; V1180-F1220 HydrophobicContact CG1-CE2 4.13Å; V1180-F1220 HydrophobicContact CG2-CD2 4.35Å; V1180-F1220 HydrophobicContact CG2-CE2 3.82Å; L1198-F1220 HydrophobicContact CB-CZ 4.2Å; L1198-F1220 HydrophobicContact CD2-CE2 3.63Å; L1198-F1220 HydrophobicContact CD2-CZ 3.5Å; L1198-F1220 HydrophobicContact CG-CZ 4.48Å; L1198-F1220 WeakPolarHBondContact O-CE1 3.36Å; I1201-F1220 HydrophobicContact CB-CE1 4.34Å; I1201-F1220 HydrophobicContact CB-CZ 4.5Å; I1201-F1220 HydrophobicContact CG2-CE1 4.49Å; P1203-F1220 WeakPolarHBondContact O-CA 3.32Å; I1204-F1220 HydrophobicContact CG2-CD1 3.6Å; I1204-F1220 HydrophobicContact CG2-CD2 4.44Å; I1204-F1220 HydrophobicContact CG2-CE1 3.68Å; I1204-F1220 HydrophobicContact CG2-CG 4.03Å; I1204-F1220 HydrophobicContact CG2-CZ 4.16Å; F1220-N1222 WeakPolarHBondContact CB-O 3.33Å; F1220-N1222 PolarHBondContact O-N 3.46Å; F1220-H1225 HydrophobicContact CB-CB 4.02Å; F1220-H1225 HydrophobicContact CD1-CB 3.45Å; F1220-H1225 VanDerWaalsContact CD1-CB 3.45Å; F1220-H1225 HydrophobicContact CE1-CB 3.98Å; F1220-H1225 HydrophobicContact CG-CB 3.79Å; F1220-A1226 HydrophobicContact CB-CB 4.35Å; F1220-A1226 VanDerWaalsContact CD2-CA 3.45Å; F1220-A1226 HydrophobicContact CD2-CB 3.73Å; F1220-A1226 HydrophobicContact CE2-CB 4.47Å; F1220-A1226 HydrophobicContact CG-CB 4.37Å; F1220-F1229 HydrophobicContact CE2-CB 3.77Å; F1220-F1229 HydrophobicContact CE2-CD1 4.41Å; F1220-F1229 AromaticContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CZ-CB 3.69Å; F1220-F1229 AromaticContact CZ-CD2 3.97Å; F1220-F1229 HydrophobicContact CZ-CD2 3.97Å; F1220-F1229 AromaticContact CZ-CG 3.83Å; F1220-F1229 HydrophobicContact CZ-CG 3.83Å
1221S94.8Very high95.3Very high62 Ų6261.7 Ų61.743%0.43431%0.314SS..SBendtrans-69.9-14.1174-47.10000113.5P1203 E1205P1203-S1221 PolarHBondContact O-N 3.15Å; E1205-S1221 VanDerWaalsContact CG-OG 3.29Å; E1205-S1221 WeakPolarHBondContact CG-OG 3.48Å
1222N93.5Very high95.5Very high64 Ų6461.1 Ų61.134%0.34231%0.312SS..SBendtrans-134.2124.6177.2176.5-1.8000108.4F1220 Q1224 H1225F1220-N1222 WeakPolarHBondContact CB-O 3.33Å; F1220-N1222 PolarHBondContact O-N 3.46Å; N1222-Q1224 PolarHBondContact O-N 3.27Å; N1222-Q1224 WeakPolarHBondContact OD1-CB 3.46Å; N1222-Q1224 PolarHBondContact OD1-N 3.13Å; N1222-H1225 PolarHBondContact ND2-NE2 3.12Å; N1222-H1225 WeakPolarHBondContact O-CB 3.31Å; N1222-H1225 PolarHBondContact O-N 2.91Å
1223P93Very high95.7Very high41 Ų4152.9 Ų52.927%0.26627%0.273SS..Hα-helixtrans-62.6-25.2179.527.4-36.5000113.7E1176 H1225 A1226 A1227E1176-P1223 HydrophobicContact CB-CB 3.58Å; E1176-P1223 HydrophobicContact CB-CG 3.85Å; E1176-P1223 WeakPolarHBondContact O-CB 3.41Å; P1223-H1225 PolarHBondContact O-N 2.96Å; P1223-A1226 WeakPolarHBondContact O-CB 3.38Å; P1223-A1226 PolarHBondContact O-N 2.9Å; P1223-A1227 PolarHBondContact O-N 3.24Å
1224Q93.8Very high95.7Very high122 Ų12251.2 Ų51.257%0.5727%0.265SS*.Hα-helixtrans-61.5-30.6173.9-147.769.530.100112.1N1222 S1228N1222-Q1224 PolarHBondContact O-N 3.27Å; N1222-Q1224 WeakPolarHBondContact OD1-CB 3.46Å; N1222-Q1224 PolarHBondContact OD1-N 3.13Å; Q1224-S1228 VanDerWaalsContact O-CB 3.24Å; Q1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Q1224-S1228 PolarHBondContact O-N 2.74Å; Q1224-S1228 PolarHBondContact O-OG 3.17Å
1225H95.7Very high95.7Very high48 Ų4853.1 Ų53.122%0.22227%0.272CS..Hα-helixtrans-73.2-38.4174.1-57.4163.9000111.4I1201 F1220 N1222 P1223 S1228 F1229I1201-H1225 HydrophobicContact CG2-CB 4.03Å; I1201-H1225 VanDerWaalsContact CG2-O 3.3Å; I1201-H1225 WeakPolarHBondContact CG2-O 3.36Å; F1220-H1225 HydrophobicContact CB-CB 4.02Å; F1220-H1225 HydrophobicContact CD1-CB 3.45Å; F1220-H1225 VanDerWaalsContact CD1-CB 3.45Å; F1220-H1225 HydrophobicContact CE1-CB 3.98Å; F1220-H1225 HydrophobicContact CG-CB 3.79Å; N1222-H1225 PolarHBondContact ND2-NE2 3.12Å; N1222-H1225 WeakPolarHBondContact O-CB 3.31Å; N1222-H1225 PolarHBondContact O-N 2.91Å; P1223-H1225 PolarHBondContact O-N 2.96Å; H1225-S1228 PolarHBondContact O-N 3.06Å; H1225-F1229 VanDerWaalsContact O-CB 3.25Å; H1225-F1229 WeakPolarHBondContact O-CB 3.29Å; H1225-F1229 PolarHBondContact O-N 2.71Å
1226A95.8Very high95.7Very high0 Ų054.8 Ų54.80%028%0.281CS..Hα-helixtrans-60.6-49173.700000111.5P1177 V1180 F1220 P1223 F1229 Q1230 L1247P1177-A1226 WeakPolarHBondContact O-CB 3.39Å; V1180-A1226 HydrophobicContact CG1-CB 3.89Å; V1180-A1226 WeakPolarHBondContact CG1-O 3.33Å; F1220-A1226 HydrophobicContact CB-CB 4.35Å; F1220-A1226 VanDerWaalsContact CD2-CA 3.45Å; F1220-A1226 HydrophobicContact CD2-CB 3.73Å; F1220-A1226 HydrophobicContact CE2-CB 4.47Å; F1220-A1226 HydrophobicContact CG-CB 4.37Å; P1223-A1226 WeakPolarHBondContact O-CB 3.38Å; P1223-A1226 PolarHBondContact O-N 2.9Å; A1226-F1229 PolarHBondContact O-N 2.8Å; A1226-Q1230 PolarHBondContact O-N 2.66Å; A1226-L1247 HydrophobicContact CB-CD2 3.7Å
1227A95Very high95.6Very high28 Ų2859.1 Ų59.123%0.23130%0.302CS..Hα-helixtrans-62.1-44.6175.900000112.2P1223 F1229 Q1230 M1231 L1247P1223-A1227 PolarHBondContact O-N 3.24Å; A1227-F1229 VanDerWaalsContact C-N 3.33Å; A1227-F1229 PolarHBondContact O-N 3.48Å; A1227-Q1230 PolarHBondContact O-N 2.77Å; A1227-M1231 WeakPolarHBondContact O-CG 3.44Å; A1227-M1231 PolarHBondContact O-N 3.43Å; A1227-L1247 HydrophobicContact CB-CD1 4.43Å
1228S95.9Very high95.6Very high46 Ų4657.7 Ų57.732%0.32230%0.295SS..Hα-helixtrans-62.3-40.2176.8-59.70000111.9Q1224 H1225 S1232Q1224-S1228 VanDerWaalsContact O-CB 3.24Å; Q1224-S1228 WeakPolarHBondContact O-CB 3.44Å; Q1224-S1228 PolarHBondContact O-N 2.74Å; Q1224-S1228 PolarHBondContact O-OG 3.17Å; H1225-S1228 PolarHBondContact O-N 3.06Å; S1228-S1232 WeakPolarHBondContact O-CB 3.46Å; S1228-S1232 PolarHBondContact O-N 2.7Å; S1228-S1232 PolarHBondContact O-OG 3.49Å
1229F97.1Very high95.5Very high0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-66-42.6175.3-176.6-88000111.2V1180 I1182 L1197 L1198 I1201 F1220 H1225 A1226 A1227 S1232 F1233 V1245V1180-F1229 HydrophobicContact CB-CD1 4.33Å; V1180-F1229 HydrophobicContact CG1-CD1 4.15Å; V1180-F1229 HydrophobicContact CG2-CD1 3.99Å; V1180-F1229 HydrophobicContact CG2-CE1 4.24Å; I1182-F1229 HydrophobicContact CD1-CE1 3.56Å; I1182-F1229 HydrophobicContact CD1-CZ 3.69Å; I1182-F1229 HydrophobicContact CG1-CE1 3.98Å; L1197-F1229 HydrophobicContact CD2-CE2 4.4Å; L1197-F1229 HydrophobicContact CD2-CZ 4.47Å; L1197-F1229 HydrophobicContact CG-CE2 4.19Å; L1198-F1229 HydrophobicContact CB-CE2 4.47Å; L1198-F1229 HydrophobicContact CD2-CD1 4.06Å; L1198-F1229 HydrophobicContact CD2-CD2 3.93Å; L1198-F1229 HydrophobicContact CD2-CE1 3.84Å; L1198-F1229 HydrophobicContact CD2-CE2 3.7Å; L1198-F1229 HydrophobicContact CD2-CG 4.12Å; L1198-F1229 HydrophobicContact CD2-CZ 3.67Å; L1198-F1229 HydrophobicContact CG-CE2 3.96Å; L1198-F1229 HydrophobicContact CG-CZ 4.06Å; I1201-F1229 HydrophobicContact CB-CB 4.39Å; I1201-F1229 HydrophobicContact CB-CD2 4.42Å; I1201-F1229 HydrophobicContact CG1-CB 4.27Å; I1201-F1229 HydrophobicContact CG1-CD2 3.94Å; I1201-F1229 HydrophobicContact CG2-CB 4.19Å; F1220-F1229 HydrophobicContact CE2-CB 3.77Å; F1220-F1229 HydrophobicContact CE2-CD1 4.41Å; F1220-F1229 AromaticContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CE2-CG 4Å; F1220-F1229 HydrophobicContact CZ-CB 3.69Å; F1220-F1229 AromaticContact CZ-CD2 3.97Å; F1220-F1229 HydrophobicContact CZ-CD2 3.97Å; F1220-F1229 AromaticContact CZ-CG 3.83Å; F1220-F1229 HydrophobicContact CZ-CG 3.83Å; H1225-F1229 VanDerWaalsContact O-CB 3.25Å; H1225-F1229 WeakPolarHBondContact O-CB 3.29Å; H1225-F1229 PolarHBondContact O-N 2.71Å; A1226-F1229 PolarHBondContact O-N 2.8Å; A1227-F1229 VanDerWaalsContact C-N 3.33Å; A1227-F1229 PolarHBondContact O-N 3.48Å; F1229-S1232 PolarHBondContact O-N 2.87Å; F1229-F1233 AromaticContact CD2-CD2 3.4Å; F1229-F1233 HydrophobicContact CD2-CD2 3.4Å; F1229-F1233 AromaticContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CG 4.29Å; F1229-F1233 HydrophobicContact CE1-CB 4.19Å; F1229-F1233 HydrophobicContact CE2-CB 4.28Å; F1229-F1233 AromaticContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CD2 3.47Å; F1229-F1233 VanDerWaalsContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CE2 4.02Å; F1229-F1233 AromaticContact CE2-CG 3.98Å; F1229-F1233 HydrophobicContact CE2-CG 3.98Å; F1229-F1233 AromaticContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CZ-CB 4.04Å; F1229-F1233 HydrophobicContact CZ-CD2 4.11Å; F1229-F1233 HydrophobicContact CZ-CG 4.22Å; F1229-F1233 WeakPolarHBondContact O-CB 3.1Å; F1229-F1233 PolarHBondContact O-N 3.03Å; F1229-V1245 HydrophobicContact CD1-CG1 3.79Å; F1229-V1245 HydrophobicContact CE1-CG1 3.81Å; F1229-V1245 HydrophobicContact CE1-CG2 3.99Å
1230Q96.1Very high95.4Very high56 Ų5664.7 Ų64.726%0.26233%0.334SS..Hα-helixtrans-58.9-53.6173.9-166-160.31600111A1226 A1227 S1232 F1233 H1234 V1245 L1247A1226-Q1230 PolarHBondContact O-N 2.66Å; A1227-Q1230 PolarHBondContact O-N 2.77Å; Q1230-S1232 VanDerWaalsContact C-N 3.28Å; Q1230-S1232 PolarHBondContact O-N 2.98Å; Q1230-F1233 PolarHBondContact O-N 3.46Å; Q1230-H1234 WeakPolarHBondContact O-CB 3.44Å; Q1230-H1234 PolarHBondContact O-N 3.08Å; Q1230-V1245 HydrophobicContact CB-CG1 4.15Å; Q1230-V1245 HydrophobicContact CG-CB 4.32Å; Q1230-V1245 HydrophobicContact CG-CG1 4.06Å; Q1230-V1245 PolarHBondContact NE2-O 2.96Å; Q1230-L1247 HydrophobicContact CB-CG 4.21Å; Q1230-L1247 HydrophobicContact CG-CG 4.42Å
1231M94.6Very high95.4Very high164 Ų16465.7 Ų65.781%0.80834%0.341SS*.Hα-helixtrans-61.2-34.2-178.9-69.5-175.869.900113.3A1227A1227-M1231 WeakPolarHBondContact O-CG 3.44Å; A1227-M1231 PolarHBondContact O-N 3.43Å
1232S95.7Very high95.4Very high69 Ų6967.6 Ų67.648%0.48334%0.343SS..Hα-helixtrans-84.7-31.5-177.4-54.60000113.9S1228 F1229 Q1230S1228-S1232 WeakPolarHBondContact O-CB 3.46Å; S1228-S1232 PolarHBondContact O-N 2.7Å; S1228-S1232 PolarHBondContact O-OG 3.49Å; F1229-S1232 PolarHBondContact O-N 2.87Å; Q1230-S1232 VanDerWaalsContact C-N 3.28Å; Q1230-S1232 PolarHBondContact O-N 2.98Å
1233F96.6Very high95.6Very high25 Ų2564.6 Ų64.611%0.1133%0.327CS..Hα-helixtrans-118.3-3-170.4-64.4-73.1000115.4L1197 I1201 F1229 Q1230 R1235 H1236 I1243 V1245L1197-F1233 HydrophobicContact CD1-CD1 4.28Å; L1197-F1233 HydrophobicContact CD1-CE1 3.58Å; L1197-F1233 HydrophobicContact CD1-CZ 3.74Å; L1197-F1233 HydrophobicContact CD2-CD1 3.97Å; L1197-F1233 HydrophobicContact CD2-CE1 4.12Å; L1197-F1233 HydrophobicContact CD2-CG 4.41Å; L1197-F1233 HydrophobicContact CG-CD1 4.28Å; L1197-F1233 HydrophobicContact CG-CE1 4Å; L1197-F1233 HydrophobicContact CG-CE2 4.49Å; L1197-F1233 HydrophobicContact CG-CZ 4.11Å; I1201-F1233 HydrophobicContact CD1-CE2 3.93Å; I1201-F1233 HydrophobicContact CG1-CD2 4.37Å; I1201-F1233 HydrophobicContact CG1-CE2 3.71Å; F1229-F1233 AromaticContact CD2-CD2 3.4Å; F1229-F1233 HydrophobicContact CD2-CD2 3.4Å; F1229-F1233 AromaticContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CE2 3.9Å; F1229-F1233 HydrophobicContact CD2-CG 4.29Å; F1229-F1233 HydrophobicContact CE1-CB 4.19Å; F1229-F1233 HydrophobicContact CE2-CB 4.28Å; F1229-F1233 AromaticContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CD2 3.47Å; F1229-F1233 VanDerWaalsContact CE2-CD2 3.47Å; F1229-F1233 HydrophobicContact CE2-CE2 4.02Å; F1229-F1233 AromaticContact CE2-CG 3.98Å; F1229-F1233 HydrophobicContact CE2-CG 3.98Å; F1229-F1233 AromaticContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CG-CD2 3.99Å; F1229-F1233 HydrophobicContact CZ-CB 4.04Å; F1229-F1233 HydrophobicContact CZ-CD2 4.11Å; F1229-F1233 HydrophobicContact CZ-CG 4.22Å; F1229-F1233 WeakPolarHBondContact O-CB 3.1Å; F1229-F1233 PolarHBondContact O-N 3.03Å; Q1230-F1233 PolarHBondContact O-N 3.46Å; F1233-R1235 PolarHBondContact O-N 2.78Å; F1233-H1236 HydrophobicContact CB-CB 4.2Å; F1233-H1236 HydrophobicContact CD1-CB 3.99Å; F1233-H1236 AromaticContact CD1-CD2 3.96Å; F1233-H1236 AromaticContact CD1-CE1 3.96Å; F1233-H1236 AromaticContact CD1-CG 3.63Å; F1233-H1236 AromaticContact CD1-ND1 3.61Å; F1233-H1236 AromaticContact CE1-CE1 3.85Å; F1233-H1236 AromaticContact CE1-ND1 3.94Å; F1233-H1236 WeakPolarHBondContact O-CB 3Å; F1233-H1236 PolarHBondContact O-N 2.7Å; F1233-I1243 HydrophobicContact CB-CD1 4.39Å; F1233-V1245 HydrophobicContact CB-CG2 4.19Å; F1233-V1245 WeakPolarHBondContact O-CG2 3.3Å
1234H96.1Very high95.8Very high94 Ų9466.3 Ų66.344%0.43533%0.334SS..THydrogen-bonded Turntrans-59.9121.5169.6179.985.5000110.7Q1230 H1236 V1245Q1230-H1234 WeakPolarHBondContact O-CB 3.44Å; Q1230-H1234 PolarHBondContact O-N 3.08Å; H1234-H1236 VanDerWaalsContact C-N 3.27Å; H1234-H1236 PolarHBondContact O-N 2.79Å; H1234-V1245 HydrophobicContact CB-CB 4.26Å; H1234-V1245 PolarHBondContact ND1-O 3.15Å
1235R95.5Very high96Very high150 Ų15060.6 Ų60.657%0.56631%0.307SS*.THydrogen-bonded Turntrans64.223.2-173.6-59.5174.470.3-92.5-10.4114.6F1233 H1242 I1243 D1244F1233-R1235 PolarHBondContact O-N 2.78Å; R1235-H1242 PolarHBondContact O-CD2 3.06Å; R1235-I1243 WeakPolarHBondContact CA-O 3.19Å; R1235-I1243 PolarHBondContact N-O 3.07Å; R1235-D1244 VanDerWaalsContact CG-OD1 3.22Å; R1235-D1244 WeakPolarHBondContact CG-OD1 3.37Å
1236H96.4Very high96Very high79 Ų7960.3 Ų60.337%0.36631%0.311SS..EExtended strand (participates in β ladder)trans-70.9157.9172.5-167.293.9000112.1F1233 H1234 H1242 I1243F1233-H1236 HydrophobicContact CB-CB 4.2Å; F1233-H1236 HydrophobicContact CD1-CB 3.99Å; F1233-H1236 AromaticContact CD1-CD2 3.96Å; F1233-H1236 AromaticContact CD1-CE1 3.96Å; F1233-H1236 AromaticContact CD1-CG 3.63Å; F1233-H1236 AromaticContact CD1-ND1 3.61Å; F1233-H1236 AromaticContact CE1-CE1 3.85Å; F1233-H1236 AromaticContact CE1-ND1 3.94Å; F1233-H1236 WeakPolarHBondContact O-CB 3Å; F1233-H1236 PolarHBondContact O-N 2.7Å; H1234-H1236 VanDerWaalsContact C-N 3.27Å; H1234-H1236 PolarHBondContact O-N 2.79Å; H1236-H1242 CarbonylContact O-C 3.41Å; H1236-H1242 VanDerWaalsContact O-CA 3.31Å; H1236-H1242 WeakPolarHBondContact O-CA 3.38Å; H1236-I1243 HydrophobicContact CB-CD1 4.4Å; H1236-I1243 HydrophobicContact CB-CG1 4.09Å; H1236-I1243 VanDerWaalsContact O-CG1 3.32Å; H1236-I1243 WeakPolarHBondContact O-CG1 3.28Å; H1236-I1243 PolarHBondContact O-N 3.04Å
1237M96.8Very high96Very high90 Ų9062.8 Ų62.844%0.44332%0.324SS..EExtended strand (participates in β ladder)trans-99.7108.9-178.6-84.2-84.8-82.600111.8L1240 S1241 H1242M1237-L1240 HydrophobicContact CE-CB 4.41Å; M1237-L1240 HydrophobicContact CE-CD2 4.33Å; M1237-S1241 CarbonylContact C-O 3.21Å; M1237-S1241 WeakPolarHBondContact CA-O 3.03Å; M1237-H1242 PolarHBondContact SD-CE1 2.95Å; M1237-H1242 PolarHBondContact SD-ND1 2.97Å
1238I95.6Very high95.7Very high11 Ų1163.5 Ų63.56%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-113.6124.8170.7-52.8-177.4000108.1T1189 L1194 L1197 L1240 S1241 I1243T1189-I1238 HydrophobicContact CG2-CG2 3.78Å; L1194-I1238 HydrophobicContact CD1-CD1 3.76Å; L1197-I1238 HydrophobicContact CD2-CD1 3.48Å; L1197-I1238 VanDerWaalsContact CD2-CD1 3.48Å; L1197-I1238 HydrophobicContact CD2-CG1 4.29Å; I1238-L1240 VanDerWaalsContact C-N 3.27Å; I1238-L1240 PolarHBondContact O-N 3.18Å; I1238-S1241 PolarHBondContact N-O 2.74Å; I1238-S1241 WeakPolarHBondContact O-CA 3.44Å; I1238-S1241 WeakPolarHBondContact O-CB 3.46Å; I1238-S1241 PolarHBondContact O-N 2.99Å; I1238-S1241 VanDerWaalsContact O-O 3.06Å; I1238-I1243 HydrophobicContact CB-CG2 4.37Å; I1238-I1243 HydrophobicContact CD1-CD1 3.57Å; I1238-I1243 HydrophobicContact CD1-CG1 4.11Å; I1238-I1243 HydrophobicContact CD1-CG2 4.15Å; I1238-I1243 HydrophobicContact CG1-CD1 4.16Å; I1238-I1243 HydrophobicContact CG1-CG1 4.21Å; I1238-I1243 HydrophobicContact CG1-CG2 4.28Å
1239D95.3Very high94.9Very high54 Ų5467.9 Ų67.929%0.28935%0.345SS..THydrogen-bonded Turntrans4647.2-177.3-55.8-13.8000114.2S1188 T1189 Q1193 S1241S1188-D1239 VanDerWaalsContact C-OD2 3.27Å; S1188-D1239 WeakPolarHBondContact OG-CB 3.46Å; S1188-D1239 VanDerWaalsContact OG-CG 3.27Å; S1188-D1239 PolarHBondContact OG-OD2 3.49Å; T1189-D1239 WeakPolarHBondContact CA-OD2 3.24Å; T1189-D1239 WeakPolarHBondContact CB-OD2 3.09Å; T1189-D1239 PolarHBondContact N-OD2 3.28Å; T1189-D1239 PolarHBondContact OG1-OD2 3.16Å; Q1193-D1239 PolarHBondContact NE2-OD1 2.86Å; D1239-S1241 PolarHBondContact O-N 3.16Å
1240L94.6Very high93.1Very high156 Ų15672.2 Ų72.282%0.81739%0.39SS*.THydrogen-bonded Turntrans63.64.6-177.3-46.9177.2000115.4M1237 I1238M1237-L1240 HydrophobicContact CE-CB 4.41Å; M1237-L1240 HydrophobicContact CE-CD2 4.33Å; I1238-L1240 VanDerWaalsContact C-N 3.27Å; I1238-L1240 PolarHBondContact O-N 3.18Å
1241S95Very high92.9Very high21 Ų2173 Ų7315%0.14740%0.396CS..EExtended strand (participates in β ladder)trans-97.6136.6169.5-63.40000110.5G1184 M1237 I1238 D1239G1184-S1241 WeakPolarHBondContact O-CB 3.32Å; M1237-S1241 CarbonylContact C-O 3.21Å; M1237-S1241 WeakPolarHBondContact CA-O 3.03Å; I1238-S1241 PolarHBondContact N-O 2.74Å; I1238-S1241 WeakPolarHBondContact O-CA 3.44Å; I1238-S1241 WeakPolarHBondContact O-CB 3.46Å; I1238-S1241 PolarHBondContact O-N 2.99Å; I1238-S1241 VanDerWaalsContact O-O 3.06Å; D1239-S1241 PolarHBondContact O-N 3.16Å
1242H96.1Very high92.8Very high102 Ų10268.2 Ų68.247%0.47238%0.375SS..EExtended strand (participates in β ladder)trans-76.3133.2167.4-68.870.6000108.8R1235 H1236 M1237R1235-H1242 PolarHBondContact O-CD2 3.06Å; H1236-H1242 CarbonylContact O-C 3.41Å; H1236-H1242 VanDerWaalsContact O-CA 3.31Å; H1236-H1242 WeakPolarHBondContact O-CA 3.38Å; M1237-H1242 PolarHBondContact SD-CE1 2.95Å; M1237-H1242 PolarHBondContact SD-ND1 2.97Å
1243I97.2Very high92.7Very high0 Ų068.2 Ų68.20%037%0.369CS..EExtended strand (participates in β ladder)trans-102.7131.2174.655.3151.2000111.4I1182 E1183 L1185 F1233 R1235 H1236 I1238 V1245I1182-I1243 HydrophobicContact CG2-CB 3.96Å; I1182-I1243 HydrophobicContact CG2-CD1 3.82Å; I1182-I1243 HydrophobicContact CG2-CG2 4.24Å; E1183-I1243 CarbonylContact O-C 3.19Å; E1183-I1243 WeakPolarHBondContact O-CA 3.31Å; L1185-I1243 HydrophobicContact CD2-CG2 3.77Å; L1185-I1243 HydrophobicContact CG-CG2 4.41Å; F1233-I1243 HydrophobicContact CB-CD1 4.39Å; R1235-I1243 WeakPolarHBondContact CA-O 3.19Å; R1235-I1243 PolarHBondContact N-O 3.07Å; H1236-I1243 HydrophobicContact CB-CD1 4.4Å; H1236-I1243 HydrophobicContact CB-CG1 4.09Å; H1236-I1243 VanDerWaalsContact O-CG1 3.32Å; H1236-I1243 WeakPolarHBondContact O-CG1 3.28Å; H1236-I1243 PolarHBondContact O-N 3.04Å; I1238-I1243 HydrophobicContact CB-CG2 4.37Å; I1238-I1243 HydrophobicContact CD1-CD1 3.57Å; I1238-I1243 HydrophobicContact CD1-CG1 4.11Å; I1238-I1243 HydrophobicContact CD1-CG2 4.15Å; I1238-I1243 HydrophobicContact CG1-CD1 4.16Å; I1238-I1243 HydrophobicContact CG1-CG1 4.21Å; I1238-I1243 HydrophobicContact CG1-CG2 4.28Å; I1243-V1245 HydrophobicContact CD1-CG2 3.85Å
1244D97.3Very high92.4Very high77 Ų7770.7 Ų70.741%0.41238%0.384SS..EExtended strand (participates in β ladder)trans-96.5114.4174.8-74.1-48.8000109.1E1183 R1235E1183-D1244 PolarHBondContact N-O 2.77Å; E1183-D1244 PolarHBondContact O-N 2.85Å; R1235-D1244 VanDerWaalsContact CG-OD1 3.22Å; R1235-D1244 WeakPolarHBondContact CG-OD1 3.37Å
1245V97.4Very high92.2Very high2 Ų269.3 Ų69.31%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-101.2132.6-180-170.80000110V1180 C1181 I1182 F1229 Q1230 F1233 H1234 I1243V1180-V1245 HydrophobicContact CB-CG1 4.21Å; V1180-V1245 HydrophobicContact CG1-CG1 4.42Å; C1181-V1245 WeakPolarHBondContact O-CA 3.39Å; I1182-V1245 HydrophobicContact CG1-CG1 4.46Å; I1182-V1245 HydrophobicContact CG1-CG2 4.41Å; I1182-V1245 HydrophobicContact CG2-CG2 4.37Å; F1229-V1245 HydrophobicContact CD1-CG1 3.79Å; F1229-V1245 HydrophobicContact CE1-CG1 3.81Å; F1229-V1245 HydrophobicContact CE1-CG2 3.99Å; Q1230-V1245 HydrophobicContact CB-CG1 4.15Å; Q1230-V1245 HydrophobicContact CG-CB 4.32Å; Q1230-V1245 HydrophobicContact CG-CG1 4.06Å; Q1230-V1245 PolarHBondContact NE2-O 2.96Å; F1233-V1245 HydrophobicContact CB-CG2 4.19Å; F1233-V1245 WeakPolarHBondContact O-CG2 3.3Å; H1234-V1245 HydrophobicContact CB-CB 4.26Å; H1234-V1245 PolarHBondContact ND1-O 3.15Å; I1243-V1245 HydrophobicContact CD1-CG2 3.85Å
1246S95.9Very high92Very high43 Ų4363.9 Ų63.930%0.30137%0.368SS..EExtended strand (participates in β ladder)trans-134147.6179.449.40000110.2V1180 C1181V1180-S1246 CarbonylContact C-O 3.43Å; V1180-S1246 WeakPolarHBondContact CA-O 3.46Å; C1181-S1246 WeakPolarHBondContact CB-OG 3.46Å; C1181-S1246 PolarHBondContact N-O 3.44Å; C1181-S1246 PolarHBondContact O-N 2.86Å; C1181-S1246 PolarHBondContact O-OG 3Å; C1181-S1246 VanDerWaalsContact O-OG 3.1Å
1247L95.1Very high91.7Very high51 Ų5162.8 Ų62.827%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-83.6142.8168.6-70.8166.1000109.5P1177 V1180 A1226 A1227 Q1230P1177-L1247 HydrophobicContact CB-CB 4Å; P1177-L1247 HydrophobicContact CB-CD2 4.45Å; P1177-L1247 HydrophobicContact CG-CB 3.78Å; P1177-L1247 HydrophobicContact CG-CD1 4.04Å; P1177-L1247 HydrophobicContact CG-CD2 4.32Å; P1177-L1247 HydrophobicContact CG-CG 4.26Å; P1177-L1247 WeakPolarHBondContact O-CD2 3.42Å; V1180-L1247 HydrophobicContact CG1-CD2 3.93Å; A1226-L1247 HydrophobicContact CB-CD2 3.7Å; A1227-L1247 HydrophobicContact CB-CD1 4.43Å; Q1230-L1247 HydrophobicContact CB-CG 4.21Å; Q1230-L1247 HydrophobicContact CG-CG 4.42Å
1248T90.5Very high91.3Very high44 Ų4460.7 Ų60.727%0.2736%0.363SS..EExtended strand (participates in β ladder)trans-144.9143.6-177.850.20000110.8T1179 C1181 G1250T1179-T1248 VanDerWaalsContact CB-O 3.28Å; T1179-T1248 WeakPolarHBondContact CB-O 3.26Å; T1179-T1248 PolarHBondContact O-N 3.17Å; T1179-T1248 VanDerWaalsContact O-O 3.12Å; T1179-T1248 PolarHBondContact O-OG1 3.42Å; C1181-T1248 HydrophobicContact CB-CG2 3.66Å; T1248-G1250 PolarHBondContact O-N 3.05Å
1249D78.7Confident90.9Very high137 Ų13764.8 Ų64.873%0.73339%0.388SS*.  trans-8686.9175.6-59.8-58.2000111.6
1250G57.9Low90.5Very high91 Ų9165.8 Ų65.894%0.93840%0.397SS*.  trans77.40165.700000116.7T1248T1248-G1250 PolarHBondContact O-N 3.05Å

Retrieved 1,250 of 1,250 residues in 111.4 ms (Link to these results)