A0A087XCV6_POEFO Loading...

Si:dkey-28e7.3

AlphaFold DB , UniProt , Accession A0A087XCV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 798 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
1S35.4Very low42.3Very low164 Ų164145.3 Ų145.3100%1.14782%0.815SS**  094.50-54.70000107.1
2D40.7Very low42.6Very low159 Ų159141.9 Ų141.985%0.8579%0.792SS**  trans-90.3114.6-162.4-53.5-64.4000111.7
3L37.7Very low42.8Very low167 Ų167139.4 Ų139.487%0.87478%0.782SS**  trans-164.9135.5164.1-93133.3000105.6
4C37.8Very low43Very low111 Ų111134.9 Ų134.975%0.7577%0.765SS**  cis-146.7158.81.4-1650000109.7
5S41.1Very low43Very low97 Ų97134 Ų13468%0.67876%0.756SS**  trans-124.5144.6172.6-54.20000110.4
6N41.8Very low42.9Very low156 Ų156134.7 Ų134.783%0.83476%0.756SS**  trans76.895.9173.5-41-64.5000116.8
7L43.1Very low43.2Very low171 Ų171132.8 Ų132.890%0.89575%0.754SS**  trans-132.2156.3140.4-80.1178.6000108.6
8P48.3Very low43.3Very low98 Ų98133.6 Ų133.664%0.63675%0.75SS**  trans-84.6153-157.1-1330.8000115.4L10P8-L10 PolarHBondContact O-N 3.23Å
9E43.3Very low43.6Very low172 Ų172130.2 Ų130.280%0.80475%0.748SS**THydrogen-bonded Turntrans-68.510-177.4-57176.9133.700115.3
10L48.3Very low43.4Very low148 Ų148133 Ų13378%0.77575%0.754SS**THydrogen-bonded Turntrans-87.5-13.3-167.3-86.2162.2000115.8P8P8-L10 PolarHBondContact O-N 3.23Å
11E47.8Very low43.5Very low155 Ų155130.6 Ų130.672%0.72474%0.744SS**SBendtrans-90.3-22.7174.6-75.6-174.5137.900113.7V13 S14 L15E11-V13 VanDerWaalsContact C-N 3.31Å; E11-V13 PolarHBondContact O-N 2.99Å; E11-S14 PolarHBondContact O-N 3.19Å; E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.14Å
12I45.6Very low43.8Very low105 Ų105132.7 Ų132.754%0.53873%0.733SS.*Hα-helixtrans-64-36.3-173.5-58.5175.1000111.5L15 L16I12-L15 PolarHBondContact O-N 2.9Å; I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.19Å
13V45.4Very low43.9Very low109 Ų109134.6 Ų134.666%0.66173%0.729SS**Hα-helixtrans-69.4-35.7179.1-176.90000111.8E11 L16E11-V13 VanDerWaalsContact C-N 3.31Å; E11-V13 PolarHBondContact O-N 2.99Å; V13-L16 PolarHBondContact O-N 3.25Å
14S45.6Very low44.2Very low77 Ų77132.7 Ų132.754%0.53872%0.724SS.*Hα-helixtrans-66.6-44.2174.6-640000111.4E11 L16 S17 E18E11-S14 PolarHBondContact O-N 3.19Å; S14-L16 PolarHBondContact O-N 3.18Å; S14-S17 PolarHBondContact O-N 3.33Å; S14-S17 PolarHBondContact O-OG 3.45Å; S14-E18 PolarHBondContact O-N 3.37Å
15L42.9Very low44.4Very low121 Ų121135.6 Ų135.663%0.63473%0.732SS**Hα-helixtrans-67.3-12.9177.9-69.2170000114.1E11 I12E11-L15 PolarHBondContact O-N 3.32Å; E11-L15 VanDerWaalsContact O-N 3.14Å; I12-L15 PolarHBondContact O-N 2.9Å
16L42Very low44.3Very low145 Ų145140.5 Ų140.576%0.75974%0.736SS**THydrogen-bonded Turntrans-91.3-8.1170.3-71.6169.3000113.5I12 V13 S14I12-L16 HydrophobicContact CG2-CD1 4.26Å; I12-L16 WeakPolarHBondContact O-CG 3.44Å; I12-L16 PolarHBondContact O-N 3.19Å; V13-L16 PolarHBondContact O-N 3.25Å; S14-L16 PolarHBondContact O-N 3.18Å
17S47.1Very low44.5Very low103 Ų103137 Ų13772%0.7273%0.728SS**THydrogen-bonded Turntrans-97.1-19.4175.874.10000113.6S14S14-S17 PolarHBondContact O-N 3.33Å; S14-S17 PolarHBondContact O-OG 3.45Å
18E45.8Very low44.4Very low147 Ų147134.6 Ų134.669%0.68772%0.716SS**SBendtrans-84.4125.2176.4-164.8162.8-139.800110.1S14 Q20S14-E18 PolarHBondContact O-N 3.37Å; E18-Q20 PolarHBondContact O-N 3.22Å
19G48.3Very low44.1Very low69 Ų69136 Ų13671%0.71172%0.723SS**PPolyproline II helixtrans-64.4128.6-170.900000112.7
20Q40.7Very low44.1Very low186 Ų186134 Ų13487%0.86972%0.722SS**PPolyproline II helixtrans-47.5128-177.9-76.4-174.8-26.500112.6E18 K22E18-Q20 PolarHBondContact O-N 3.22Å; Q20-K22 PolarHBondContact O-N 3Å
21P44.2Very low43.7Very low83 Ų83136.8 Ų136.854%0.53973%0.729SS.*PPolyproline II helixtrans-60.8130.9171.1-19.830.9000110.4Y23P21-Y23 VanDerWaalsContact C-N 3.29Å; P21-Y23 HydrophobicContact CB-CD2 4.19Å; P21-Y23 HydrophobicContact CB-CE2 3.69Å; P21-Y23 HydrophobicContact CG-CE2 3.99Å; P21-Y23 VanDerWaalsContact O-CD2 3.26Å; P21-Y23 WeakPolarHBondContact O-CD2 3.41Å; P21-Y23 PolarHBondContact O-N 3.38Å
22K42.4Very low43.6Very low208 Ų208132.7 Ų132.790%0.90473%0.728SS**  trans-72.382.4175-72.7-172.4175.2-174.20110.6Q20 T24Q20-K22 PolarHBondContact O-N 3Å; K22-T24 PolarHBondContact O-N 3.2Å; K22-T24 VanDerWaalsContact O-N 3.15Å
23Y43.3Very low43.5Very low198 Ų198135 Ų13578%0.77673%0.731SS**  trans-71.4101.4171.1-65.1-74.2000110.5P21 L25P21-Y23 VanDerWaalsContact C-N 3.29Å; P21-Y23 HydrophobicContact CB-CD2 4.19Å; P21-Y23 HydrophobicContact CB-CE2 3.69Å; P21-Y23 HydrophobicContact CG-CE2 3.99Å; P21-Y23 VanDerWaalsContact O-CD2 3.26Å; P21-Y23 WeakPolarHBondContact O-CD2 3.41Å; P21-Y23 PolarHBondContact O-N 3.38Å; Y23-L25 PolarHBondContact O-N 2.72Å
24T44.2Very low43.7Very low127 Ų127137.6 Ų137.678%0.77974%0.741SS**  trans-77.6113.2165.437.30000109.8K22 R26K22-T24 PolarHBondContact O-N 3.2Å; K22-T24 VanDerWaalsContact O-N 3.15Å; T24-R26 PolarHBondContact O-N 3.25Å; T24-R26 VanDerWaalsContact O-N 3.15Å
25L40.6Very low43.9Very low173 Ų173136.5 Ų136.591%0.90673%0.733SS**  trans-64.6110165.7-82.6165.2000108.8Y23 A27Y23-L25 PolarHBondContact O-N 2.72Å; L25-A27 PolarHBondContact O-N 3.43Å
26R39.1Very low44.1Very low200 Ų200137 Ų13776%0.75574%0.737SS**  trans-70.8114.4164.6-77.8-171.8175.8-175.8-1.6108.7T24 D28T24-R26 PolarHBondContact O-N 3.25Å; T24-R26 VanDerWaalsContact O-N 3.15Å; R26-D28 VanDerWaalsContact CD-OD2 3.29Å; R26-D28 WeakPolarHBondContact CD-OD2 3.3Å; R26-D28 WeakPolarHBondContact CG-OD2 3.45Å; R26-D28 IonicContact NE-OD2 3.69Å
27A46Very low44.6Very low83 Ų83136.4 Ų136.469%0.68673%0.734SS**  trans-79.2-6.8169.500000112.2L25 T29 V30L25-A27 PolarHBondContact O-N 3.43Å; A27-T29 PolarHBondContact O-N 2.98Å; A27-V30 PolarHBondContact O-N 2.93Å
28D42.2Very low44.9Very low120 Ų120140.7 Ų140.764%0.64274%0.735SS**THydrogen-bonded Turntrans-625.9-170.4-34.4-22.6000115.9R26R26-D28 VanDerWaalsContact CD-OD2 3.29Å; R26-D28 WeakPolarHBondContact CD-OD2 3.3Å; R26-D28 WeakPolarHBondContact CG-OD2 3.45Å; R26-D28 IonicContact NE-OD2 3.69Å
29T42.3Very low44.9Very low128 Ų128141.8 Ų141.879%0.78575%0.745SS**THydrogen-bonded Turntrans-137.147.5179.163.20000113.2A27A27-T29 PolarHBondContact O-N 2.98Å
30V41.8Very low44.7Very low129 Ų129145.1 Ų145.178%0.78274%0.741SS**SBendtrans-101.9138.1151.7-176.50000107.3A27A27-V30 PolarHBondContact O-N 2.93Å
31F41.1Very low44.9Very low207 Ų207141.3 Ų141.391%0.90873%0.731SS**PPolyproline II helixtrans-63.9141.6-176-85.4-106.2000111.5
32G45.6Very low45Very low69 Ų69143 Ų14371%0.71174%0.742SS**PPolyproline II helixtrans-59.3138.7-169.100000114.4
33Y42.9Very low45.4Very low153 Ų153140.7 Ų140.760%0.674%0.739SS**  trans-137.388.7171.6-169.1-101.6000107.4S35 W38Y33-S35 PolarHBondContact O-N 3.47Å; Y33-W38 HydrophobicContact CD1-CH2 4.39Å; Y33-W38 HydrophobicContact CD1-CZ3 4.49Å
34D49.1Very low46Very low163 Ų163135.3 Ų135.387%0.87273%0.726SS**  trans-80.253.3-167.6-54.9-43.9000112.1
35S50.9Low46.4Very low54 Ų54133.2 Ų133.238%0.37871%0.714SS.*  trans-141.4114.9-178.1-590000110.5Y33 D37Y33-S35 PolarHBondContact O-N 3.47Å; S35-D37 PolarHBondContact O-N 3.2Å
36D46.2Very low47.2Very low132 Ų132131.7 Ų131.771%0.70672%0.715SS**  trans-71.829.1-176.3-74.9-31.8000113.8W38 H40D36-W38 PolarHBondContact O-N 3Å; D36-H40 IonicContact OD1-CE1 3.38Å; D36-H40 PolarHBondContact OD1-CE1 3.46Å; D36-H40 VanDerWaalsContact OD1-CE1 3.29Å; D36-H40 IonicContact OD1-NE2 3.64Å
37D52.1Low47.6Very low132 Ų132130.8 Ų130.871%0.70672%0.719SS**  trans-81.15.8-175-64-42000113.4S35S35-D37 PolarHBondContact O-N 3.2Å
38W55Low48Very low194 Ų194130.4 Ų130.474%0.73571%0.709SS**SBendtrans-113.4137.9175.3-69.6-24.4000111.9Y33 D36 H40Y33-W38 HydrophobicContact CD1-CH2 4.39Å; Y33-W38 HydrophobicContact CD1-CZ3 4.49Å; D36-W38 PolarHBondContact O-N 3Å; W38-H40 PolarHBondContact O-N 3.44Å
39L45.3Very low48.7Very low169 Ų169131.2 Ų131.289%0.88572%0.718SS**  trans-50.7107-174.8-71.9166.7000112.6T41L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.2Å; L39-T41 PolarHBondContact O-OG1 3.47Å
40H43.5Very low49.6Very low140 Ų140130 Ų13065%0.64871%0.706SS**  trans-6187.8170-62.4-60.9000110.6D36 W38D36-H40 IonicContact OD1-CE1 3.38Å; D36-H40 PolarHBondContact OD1-CE1 3.46Å; D36-H40 VanDerWaalsContact OD1-CE1 3.29Å; D36-H40 IonicContact OD1-NE2 3.64Å; W38-H40 PolarHBondContact O-N 3.44Å
41T45.6Very low50.5Low106 Ų106127.6 Ų127.665%0.6571%0.706SS**  trans-69.4124.1171.4-580000107.4L39 L43L39-T41 VanDerWaalsContact C-N 3.27Å; L39-T41 PolarHBondContact O-N 3.2Å; L39-T41 PolarHBondContact O-OG1 3.47Å; T41-L43 PolarHBondContact O-N 2.89Å
42P46.3Very low51.8Low117 Ų117121.2 Ų121.276%0.7668%0.681SS**  trans-66.6100.7-176.625.4-33.4000110.2V44P42-V44 PolarHBondContact O-N 3.31Å; P42-V44 VanDerWaalsContact O-N 3.08Å
43L50.6Low53.2Low161 Ų161121.3 Ų121.384%0.84367%0.669SS**  trans-67.7104.9178.4-69.4172.6000109.6T41T41-L43 PolarHBondContact O-N 2.89Å
44V54.8Low54.6Low85 Ų85123.1 Ų123.152%0.51568%0.676SS.*  trans-62.7131.8172.1-1790000108.8P42 V48P42-V44 PolarHBondContact O-N 3.31Å; P42-V44 VanDerWaalsContact O-N 3.08Å; V44-V48 HydrophobicContact CG1-CB 3.7Å; V44-V48 HydrophobicContact CG1-CG1 4.19Å; V44-V48 HydrophobicContact CG1-CG2 3.86Å
45P54.6Low55.8Low82 Ų82122.3 Ų122.353%0.53267%0.666SS.*  trans-56.7140.2180-27.335.2000112.5E47 V48P45-E47 PolarHBondContact O-N 3.41Å; P45-V48 HydrophobicContact CB-CG2 4.33Å; P45-V48 PolarHBondContact O-N 2.74Å
46P56.3Low57.1Low142 Ų142124.2 Ų124.292%0.92267%0.669SS**THydrogen-bonded Turntrans-60.4-8.4-173-26.935.5000117
47E48.2Very low58.6Low180 Ų180122.3 Ų122.384%0.84166%0.658SS**THydrogen-bonded Turntrans-96.1-9.1-178.9-59.1-174.4136.700113.2P45 V49P45-E47 PolarHBondContact O-N 3.41Å; E47-V49 PolarHBondContact O-N 3.07Å
48V54.1Low59.8Low76 Ų76120 Ų12046%0.46164%0.644SS.*  trans-77.494.9177.4-172.40000109.6V44 P45 L50V44-V48 HydrophobicContact CG1-CB 3.7Å; V44-V48 HydrophobicContact CG1-CG1 4.19Å; V44-V48 HydrophobicContact CG1-CG2 3.86Å; P45-V48 HydrophobicContact CB-CG2 4.33Å; P45-V48 PolarHBondContact O-N 2.74Å; V48-L50 HydrophobicContact CG1-CD2 3.75Å; V48-L50 HydrophobicContact CG1-CG 4.02Å; V48-L50 PolarHBondContact O-N 3.32Å
49V56.5Low61.1Low137 Ų137116 Ų11683%0.8363%0.633SS**  trans-68.686.1164.8-1760000108.3E47 G51E47-V49 PolarHBondContact O-N 3.07Å; V49-G51 PolarHBondContact O-N 3.14Å
50L61.4Low62.8Low103 Ų103110.9 Ų110.954%0.53961%0.608SS.*  trans-60105.3168.4-66171.8000107.5V48 L52V48-L50 HydrophobicContact CG1-CD2 3.75Å; V48-L50 HydrophobicContact CG1-CG 4.02Å; V48-L50 PolarHBondContact O-N 3.32Å; L50-L52 HydrophobicContact CB-CD1 4.15Å; L50-L52 HydrophobicContact CB-CG 4.13Å; L50-L52 PolarHBondContact O-N 3.43Å
51G60.4Low64.6Low77 Ų77110.3 Ų110.379%0.79461%0.605SS**  trans-72.649.2-174.800000114.1V49V49-G51 PolarHBondContact O-N 3.14Å
52L69.4Low66.4Low73 Ų73108.8 Ų108.838%0.38259%0.589SS.*  trans-76.1140.7-179.9-60.8171.5000110.1L50 Q56 I57L50-L52 HydrophobicContact CB-CD1 4.15Å; L50-L52 HydrophobicContact CB-CG 4.13Å; L50-L52 PolarHBondContact O-N 3.43Å; L52-Q56 HydrophobicContact CB-CB 4.13Å; L52-Q56 HydrophobicContact CD2-CB 4.34Å; L52-I57 HydrophobicContact CB-CD1 4.25Å; L52-I57 HydrophobicContact CB-CG1 3.68Å; L52-I57 HydrophobicContact CD1-CG1 4.31Å
53T73.8Confident68.1Low72 Ų72110 Ų11044%0.44258%0.579SS.*  trans-69.9160.6170.967.60000110.7E55 Q56 I57T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.88Å; T53-Q56 WeakPolarHBondContact O-CB 3.3Å; T53-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.5Å; T53-Q56 PolarHBondContact OG1-N 3.44Å; T53-Q56 PolarHBondContact OG1-OE1 3.27Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.09Å
54Y71.9Confident69.6Low190 Ų190108.6 Ų108.675%0.74557%0.567SS**Hα-helixtrans-55.6-41.9179.7-168.4-92.6000112.2I57 E58Y54-I57 PolarHBondContact O-N 2.93Å; Y54-E58 WeakPolarHBondContact O-CB 3.26Å; Y54-E58 PolarHBondContact O-N 3.34Å
55E75.6Confident70.8Confident146 Ų146108.4 Ų108.468%0.68256%0.562SS**Hα-helixtrans-63-40.3174.4-62.7177.8141.900112.5T53 I57 E58 E59T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.88Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.17Å; E55-E58 PolarHBondContact O-N 3.06Å; E55-E59 WeakPolarHBondContact O-CG 3.41Å; E55-E59 PolarHBondContact O-N 3Å
56Q77.1Confident72Confident94 Ų94110.1 Ų110.144%0.43957%0.566SS.*Hα-helixtrans-66.1-36.9176.3-73.6171.8-27.400112L52 T53 T60L52-Q56 HydrophobicContact CB-CB 4.13Å; L52-Q56 HydrophobicContact CD2-CB 4.34Å; T53-Q56 WeakPolarHBondContact O-CB 3.3Å; T53-Q56 PolarHBondContact O-N 3.13Å; T53-Q56 WeakPolarHBondContact OG1-CG 3.5Å; T53-Q56 PolarHBondContact OG1-N 3.44Å; T53-Q56 PolarHBondContact OG1-OE1 3.27Å; Q56-T60 WeakPolarHBondContact O-CB 3.36Å; Q56-T60 PolarHBondContact O-N 2.97Å; Q56-T60 PolarHBondContact O-OG1 3.42Å
57I78.8Confident73.1Confident92 Ų92104.6 Ų104.647%0.47253%0.531SS..Hα-helixtrans-66.3-43.3173.7-63.5169.4000109.8L52 T53 Y54 E55 T60 F61L52-I57 HydrophobicContact CB-CD1 4.25Å; L52-I57 HydrophobicContact CB-CG1 3.68Å; L52-I57 HydrophobicContact CD1-CG1 4.31Å; T53-I57 WeakPolarHBondContact O-CG1 3.27Å; T53-I57 PolarHBondContact O-N 3.09Å; Y54-I57 PolarHBondContact O-N 2.93Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 3.17Å; I57-T60 PolarHBondContact O-N 2.99Å; I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.26Å; I57-F61 PolarHBondContact O-N 3.27Å
58E77.4Confident74.3Confident85 Ų8599.7 Ų99.740%0.39752%0.516SS..Hα-helixtrans-64.6-46.5179-160.1-169.1132.400112.4Y54 E55 F61 K62Y54-E58 WeakPolarHBondContact O-CB 3.26Å; Y54-E58 PolarHBondContact O-N 3.34Å; E55-E58 PolarHBondContact O-N 3.06Å; E58-F61 PolarHBondContact O-N 3.42Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.19Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 3.66Å; E58-K62 PolarHBondContact OE1-NZ 3.33Å
59E81.1Confident75.4Confident110 Ų110100.5 Ų100.551%0.51452%0.518SS..Hα-helixtrans-68-35.6175.9-69-54.1133.500112.6E55 F61 K62 Y63E55-E59 WeakPolarHBondContact O-CG 3.41Å; E55-E59 PolarHBondContact O-N 3Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 2.76Å; E59-Y63 WeakPolarHBondContact O-CB 3.43Å; E59-Y63 PolarHBondContact O-N 2.9Å
60T81.1Confident76.4Confident60 Ų60101.1 Ų101.137%0.36851%0.506SS..Hα-helixtrans-64.4-40.3172.3-60.40000110.9Q56 I57 Y63 F64Q56-T60 WeakPolarHBondContact O-CB 3.36Å; Q56-T60 PolarHBondContact O-N 2.97Å; Q56-T60 PolarHBondContact O-OG1 3.42Å; I57-T60 PolarHBondContact O-N 2.99Å; T60-Y63 PolarHBondContact O-N 2.68Å; T60-F64 HydrophobicContact CG2-CD2 3.77Å; T60-F64 HydrophobicContact CG2-CE2 3.54Å; T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.43Å
61F81.9Confident76.9Confident129 Ų129100.6 Ų100.657%0.56651%0.506SS*.Hα-helixtrans-67.5-40.4175.6-174.8-114.8000112.2I57 E58 E59 Y63 F64 L65I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.26Å; I57-F61 PolarHBondContact O-N 3.27Å; E58-F61 PolarHBondContact O-N 3.42Å; E59-F61 VanDerWaalsContact C-N 3.33Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 PolarHBondContact O-N 2.95Å; F61-F64 PolarHBondContact O-N 2.74Å; F61-L65 HydrophobicContact CD1-CD1 3.83Å; F61-L65 HydrophobicContact CE1-CD1 3.51Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.95Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.93Å
62K82.7Confident77.4Confident74 Ų7498.6 Ų98.632%0.32249%0.485SS..Hα-helixtrans-60.1-42.1170.3-72.3166.5-171.2163.40111.8E58 E59 L65 L66E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.19Å; E58-K62 WeakPolarHBondContact OE1-CE 3.43Å; E58-K62 IonicContact OE1-NZ 3.66Å; E58-K62 PolarHBondContact OE1-NZ 3.33Å; E59-K62 PolarHBondContact O-N 3.3Å; E59-K62 WeakPolarHBondContact OE1-CD 3.44Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 2.76Å; K62-L65 PolarHBondContact O-N 3.08Å; K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.47Å; K62-L66 PolarHBondContact O-N 3.3Å
63Y82.8Confident77.2Confident143 Ų143101.4 Ų101.456%0.56150%0.497SS*.Hα-helixtrans-63.7-42.7176.1177.7-97.8000112.3E59 T60 F61 L66 C67E59-Y63 WeakPolarHBondContact O-CB 3.43Å; E59-Y63 PolarHBondContact O-N 2.9Å; T60-Y63 PolarHBondContact O-N 2.68Å; F61-Y63 VanDerWaalsContact C-N 3.35Å; F61-Y63 PolarHBondContact O-N 2.95Å; Y63-L66 PolarHBondContact O-N 3.39Å; Y63-C67 VanDerWaalsContact CZ-SG 3.59Å; Y63-C67 WeakPolarHBondContact O-CB 3.45Å; Y63-C67 PolarHBondContact O-N 2.91Å; Y63-C67 PolarHBondContact O-SG 3.12Å
64F81.7Confident76.6Confident131 Ų131101.2 Ų101.258%0.57550%0.495SS*.Hα-helixtrans-66.7-39174.3-79.2-59.9000112.6T60 F61 C67 S68T60-F64 HydrophobicContact CG2-CD2 3.77Å; T60-F64 HydrophobicContact CG2-CE2 3.54Å; T60-F64 WeakPolarHBondContact O-CD2 3.45Å; T60-F64 PolarHBondContact O-N 3.43Å; F61-F64 PolarHBondContact O-N 2.74Å; F64-C67 PolarHBondContact O-N 3.38Å; F64-S68 WeakPolarHBondContact O-CB 3.38Å; F64-S68 PolarHBondContact O-N 2.98Å
65L79.4Confident76.1Confident81 Ų8195.1 Ų95.142%0.42448%0.478SS..Hα-helixtrans-61.7-47.2171.9-79.8171000111.7F61 K62 C67 S68 D69F61-L65 HydrophobicContact CD1-CD1 3.83Å; F61-L65 HydrophobicContact CE1-CD1 3.51Å; F61-L65 HydrophobicContact CE1-CG 4.24Å; F61-L65 HydrophobicContact CZ-CD1 3.95Å; F61-L65 HydrophobicContact CZ-CG 4.24Å; F61-L65 WeakPolarHBondContact O-CB 3.41Å; F61-L65 WeakPolarHBondContact O-CG 3.5Å; F61-L65 PolarHBondContact O-N 2.93Å; K62-L65 PolarHBondContact O-N 3.08Å; L65-C67 VanDerWaalsContact C-N 3.31Å; L65-C67 PolarHBondContact O-N 3.47Å; L65-S68 CarbonylContact O-C 3.5Å; L65-S68 WeakPolarHBondContact O-CA 3.41Å; L65-S68 WeakPolarHBondContact O-CB 3.46Å; L65-S68 PolarHBondContact O-N 3.35Å; L65-S68 VanDerWaalsContact O-N 3.12Å; L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 2.84Å
66L81.6Confident75.6Confident117 Ų11795.7 Ų95.761%0.61348%0.478SS*.Hα-helixtrans-63.5-34.9176.4-74.4166.8000112.5K62 Y63 R70K62-L66 WeakPolarHBondContact O-CB 3.36Å; K62-L66 VanDerWaalsContact O-CG 3.29Å; K62-L66 WeakPolarHBondContact O-CG 3.47Å; K62-L66 PolarHBondContact O-N 3.3Å; Y63-L66 PolarHBondContact O-N 3.39Å; L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 2.87Å
67C78.2Confident74.7Confident26 Ų2695.1 Ų95.118%0.17648%0.481CS..Hα-helixtrans-68-41.5171.4-73.80000111.9Y63 F64 L65 R70 V71Y63-C67 VanDerWaalsContact CZ-SG 3.59Å; Y63-C67 WeakPolarHBondContact O-CB 3.45Å; Y63-C67 PolarHBondContact O-N 2.91Å; Y63-C67 PolarHBondContact O-SG 3.12Å; F64-C67 PolarHBondContact O-N 3.38Å; L65-C67 VanDerWaalsContact C-N 3.31Å; L65-C67 PolarHBondContact O-N 3.47Å; C67-R70 PolarHBondContact O-N 3.16Å; C67-V71 WeakPolarHBondContact O-CB 3.23Å; C67-V71 WeakPolarHBondContact O-CG2 3.22Å; C67-V71 PolarHBondContact O-N 3.27Å
68S74.6Confident73.7Confident77 Ų7798.6 Ų98.654%0.53849%0.49SS..Hα-helixtrans-63.5-45.9175.3-168.70000111.7F64 L65 R70 V71 G72F64-S68 WeakPolarHBondContact O-CB 3.38Å; F64-S68 PolarHBondContact O-N 2.98Å; L65-S68 CarbonylContact O-C 3.5Å; L65-S68 WeakPolarHBondContact O-CA 3.41Å; L65-S68 WeakPolarHBondContact O-CB 3.46Å; L65-S68 PolarHBondContact O-N 3.35Å; L65-S68 VanDerWaalsContact O-N 3.12Å; S68-R70 PolarHBondContact O-N 3.47Å; S68-V71 PolarHBondContact O-N 3.45Å; S68-G72 WeakPolarHBondContact O-CA 3.12Å; S68-G72 PolarHBondContact O-N 3.41Å
69D76.3Confident73.1Confident94 Ų94101.8 Ų101.850%0.50350%0.504SS..Hα-helixtrans-65.4-36.5175.7-82.5-22.6000112L65 G72 Q73L65-D69 WeakPolarHBondContact O-CB 3.24Å; L65-D69 PolarHBondContact O-N 2.84Å; D69-G72 CarbonylContact O-C 3.56Å; D69-G72 PolarHBondContact O-N 3.22Å; D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 VanDerWaalsContact O-CG 3.22Å; D69-Q73 WeakPolarHBondContact O-CG 3.45Å; D69-Q73 PolarHBondContact O-N 2.8Å
70R76.6Confident73.1Confident150 Ų150100.6 Ų100.657%0.56650%0.501SS*.Hα-helixtrans-67.2-44.4173.8-179174.659.4-178.2-5.1111.5L66 C67 S68 G72 Q73 V74L66-R70 WeakPolarHBondContact O-CB 3.42Å; L66-R70 PolarHBondContact O-N 2.87Å; C67-R70 PolarHBondContact O-N 3.16Å; S68-R70 PolarHBondContact O-N 3.47Å; R70-G72 VanDerWaalsContact C-N 3.3Å; R70-Q73 PolarHBondContact O-N 2.94Å; R70-V74 WeakPolarHBondContact O-CB 3.41Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.39Å; R70-V74 PolarHBondContact O-N 2.81Å
71V73.4Confident73Confident92 Ų92103.6 Ų103.656%0.55851%0.514SS*.Hα-helixtrans-64.6-37.4173.5170.10000110.7C67 S68 V74 T75C67-V71 WeakPolarHBondContact O-CB 3.23Å; C67-V71 WeakPolarHBondContact O-CG2 3.22Å; C67-V71 PolarHBondContact O-N 3.27Å; S68-V71 PolarHBondContact O-N 3.45Å; V71-V74 PolarHBondContact O-N 2.8Å; V71-T75 WeakPolarHBondContact O-CB 3.44Å; V71-T75 WeakPolarHBondContact O-CG2 3.15Å; V71-T75 PolarHBondContact O-N 3.41Å; V71-T75 PolarHBondContact O-OG1 3.41Å
72G69.9Low73.1Confident34 Ų34105.4 Ų105.435%0.35152%0.521SS..Hα-helixtrans-64.4-39.6173.900000113.1S68 D69 R70 T75 K76S68-G72 WeakPolarHBondContact O-CA 3.12Å; S68-G72 PolarHBondContact O-N 3.41Å; D69-G72 CarbonylContact O-C 3.56Å; D69-G72 PolarHBondContact O-N 3.22Å; R70-G72 VanDerWaalsContact C-N 3.3Å; G72-T75 WeakPolarHBondContact CA-OG1 3.44Å; G72-T75 PolarHBondContact O-OG1 3.18Å; G72-K76 WeakPolarHBondContact O-CB 3.45Å; G72-K76 PolarHBondContact O-N 3.06Å
73Q65.9Low73.2Confident132 Ų132104 Ų10462%0.61752%0.523SS*.Hα-helixtrans-70-45.2173.7-75.4170.437.900111.5D69 R70 K76 T77D69-Q73 WeakPolarHBondContact O-CB 3.38Å; D69-Q73 VanDerWaalsContact O-CG 3.22Å; D69-Q73 WeakPolarHBondContact O-CG 3.45Å; D69-Q73 PolarHBondContact O-N 2.8Å; R70-Q73 PolarHBondContact O-N 2.94Å; Q73-K76 CarbonylContact O-C 3.47Å; Q73-K76 PolarHBondContact O-N 2.93Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.92Å
74V61.8Low73.4Confident69 Ų6999.2 Ų99.242%0.41851%0.509SS..Hα-helixtrans-61.5-47.3176.6167.70000111.1R70 V71 K76 T77 Y78R70-V74 WeakPolarHBondContact O-CB 3.41Å; R70-V74 VanDerWaalsContact O-CG2 3.29Å; R70-V74 WeakPolarHBondContact O-CG2 3.39Å; R70-V74 PolarHBondContact O-N 2.81Å; V71-V74 PolarHBondContact O-N 2.8Å; V74-K76 PolarHBondContact O-N 2.91Å; V74-T77 WeakPolarHBondContact CA-OG1 3.49Å; V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.44Å; V74-Y78 HydrophobicContact CG1-CD2 4.06Å; V74-Y78 HydrophobicContact CG1-CE2 3.64Å; V74-Y78 WeakPolarHBondContact O-CD2 3.4Å; V74-Y78 PolarHBondContact O-N 3.24Å; V74-Y78 VanDerWaalsContact O-N 3.15Å
75T61.4Low73.5Confident61 Ų6195.9 Ų95.937%0.37450%0.499SS..Hα-helixtrans-63.4-40173.147.70000111.6V71 G72 T77 Y78 H79V71-T75 WeakPolarHBondContact O-CB 3.44Å; V71-T75 WeakPolarHBondContact O-CG2 3.15Å; V71-T75 PolarHBondContact O-N 3.41Å; V71-T75 PolarHBondContact O-OG1 3.41Å; G72-T75 WeakPolarHBondContact CA-OG1 3.44Å; G72-T75 PolarHBondContact O-OG1 3.18Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.29Å; T75-Y78 CarbonylContact O-C 3.6Å; T75-Y78 WeakPolarHBondContact O-CA 3.5Å; T75-Y78 WeakPolarHBondContact O-CB 3.17Å; T75-Y78 PolarHBondContact O-N 3.28Å; T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.08Å
76K63.3Low74Confident158 Ų15896.8 Ų96.869%0.68750%0.501SS*.Hα-helixtrans-63.7-34.3175.7-170.8171.3-174.6176.10113G72 Q73 V74 Y78 H79 D80G72-K76 WeakPolarHBondContact O-CB 3.45Å; G72-K76 PolarHBondContact O-N 3.06Å; Q73-K76 CarbonylContact O-C 3.47Å; Q73-K76 PolarHBondContact O-N 2.93Å; V74-K76 PolarHBondContact O-N 2.91Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; K76-H79 PolarHBondContact O-N 3.46Å; K76-D80 PolarHBondContact O-N 3.48Å
77T58.9Low74.5Confident82 Ų8295.9 Ų95.950%0.50350%0.497SS..Hα-helixtrans-68.6-26170.1440000113.3Q73 V74 T75 V84Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.92Å; V74-T77 WeakPolarHBondContact CA-OG1 3.49Å; V74-T77 PolarHBondContact O-N 2.99Å; V74-T77 PolarHBondContact O-OG1 3.44Å; T75-T77 VanDerWaalsContact C-N 3.33Å; T75-T77 PolarHBondContact O-N 3.29Å; T77-V84 WeakPolarHBondContact O-CG2 3.5Å
78Y57.3Low75.1Confident166 Ų16699.9 Ų99.965%0.65152%0.516SS*.Hα-helixtrans-81.4-26.6169.4-69.2-60.4000113.7V74 T75 K76 V84V74-Y78 HydrophobicContact CG1-CD2 4.06Å; V74-Y78 HydrophobicContact CG1-CE2 3.64Å; V74-Y78 WeakPolarHBondContact O-CD2 3.4Å; V74-Y78 PolarHBondContact O-N 3.24Å; V74-Y78 VanDerWaalsContact O-N 3.15Å; T75-Y78 CarbonylContact O-C 3.6Å; T75-Y78 WeakPolarHBondContact O-CA 3.5Å; T75-Y78 WeakPolarHBondContact O-CB 3.17Å; T75-Y78 PolarHBondContact O-N 3.28Å; K76-Y78 VanDerWaalsContact C-N 3.3Å; Y78-V84 HydrophobicContact CD1-CG2 4.41Å
79H65.6Low76Confident151 Ų151100.8 Ų100.870%0.69951%0.511SS*.Hα-helixtrans-82.3-25.3176.4-73.366.7000112.7T75 K76 I81T75-H79 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-ND1 3.08Å; K76-H79 PolarHBondContact O-N 3.46Å; H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 PolarHBondContact O-N 3.19Å
80D81.4Confident76.9Confident85 Ų8599.8 Ų99.846%0.45550%0.503SS..  trans-77.984.3164.7-167.6-13.1000109.9K76 K82 A83 V84K76-D80 PolarHBondContact O-N 3.48Å; D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 WeakPolarHBondContact OD1-CB 3.19Å; D80-K82 PolarHBondContact OD1-N 2.97Å; D80-K82 VanDerWaalsContact OD1-N 3.11Å; D80-A83 HydrophobicContact CB-CB 4.08Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.05Å; D80-A83 PolarHBondContact OD1-N 3.01Å; D80-V84 PolarHBondContact O-N 3.01Å
81I79.4Confident77.8Confident124 Ų12497.6 Ų97.664%0.63650%0.498SS*.Hα-helixtrans-50.4-31.6178.6-60.7172.4000111.4H79 V84 T85H79-I81 VanDerWaalsContact C-N 3.29Å; H79-I81 PolarHBondContact O-N 3.19Å; I81-V84 PolarHBondContact O-N 3.05Å; I81-T85 HydrophobicContact CG2-CG2 4.29Å; I81-T85 WeakPolarHBondContact O-CG2 3.33Å; I81-T85 PolarHBondContact O-N 3.11Å; I81-T85 PolarHBondContact O-OG1 3.07Å
82K83.8Confident78.8Confident167 Ų16799 Ų9973%0.72650%0.499SS*.Hα-helixtrans-73.8-32.8-179.6-60.5-177.7177.8-177.10112.8D80 T85 H86D80-K82 PolarHBondContact O-N 3.01Å; D80-K82 WeakPolarHBondContact OD1-CB 3.19Å; D80-K82 PolarHBondContact OD1-N 2.97Å; D80-K82 VanDerWaalsContact OD1-N 3.11Å; K82-T85 PolarHBondContact O-OG1 3.36Å; K82-H86 WeakPolarHBondContact O-CB 3.23Å; K82-H86 PolarHBondContact O-N 3.42Å; K82-H86 VanDerWaalsContact O-N 3.09Å
83A84.9Confident80Confident43 Ų43103.2 Ų103.236%0.35550%0.504SS..Hα-helixtrans-69-39.4172.400000110.7D80 L87D80-A83 HydrophobicContact CB-CB 4.08Å; D80-A83 WeakPolarHBondContact O-CB 3.38Å; D80-A83 PolarHBondContact O-N 3.05Å; D80-A83 PolarHBondContact OD1-N 3.01Å; A83-L87 WeakPolarHBondContact O-CB 3.32Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-L87 VanDerWaalsContact O-N 3.1Å
84V85.8Confident81.6Confident43 Ų43100.2 Ų100.226%0.26149%0.492SS..Hα-helixtrans-65.4-47.6175.2-174.50000111.6T77 Y78 D80 I81 L87 L88T77-V84 WeakPolarHBondContact O-CG2 3.5Å; Y78-V84 HydrophobicContact CD1-CG2 4.41Å; D80-V84 PolarHBondContact O-N 3.01Å; I81-V84 PolarHBondContact O-N 3.05Å; V84-L87 PolarHBondContact O-N 2.82Å; V84-L88 HydrophobicContact CG1-CD1 4.05Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 2.96Å
85T83.8Confident83.2Confident61 Ų61102.9 Ų102.937%0.37450%0.504SS..Hα-helixtrans-64.5-44.4179.858.20000111.7I81 K82 L87 L88 E89I81-T85 HydrophobicContact CG2-CG2 4.29Å; I81-T85 WeakPolarHBondContact O-CG2 3.33Å; I81-T85 PolarHBondContact O-N 3.11Å; I81-T85 PolarHBondContact O-OG1 3.07Å; K82-T85 PolarHBondContact O-OG1 3.36Å; T85-L87 VanDerWaalsContact C-N 3.29Å; T85-L87 PolarHBondContact O-N 3.46Å; T85-L88 PolarHBondContact O-N 3.28Å; T85-L88 VanDerWaalsContact O-N 3.09Å; T85-E89 WeakPolarHBondContact O-CB 3.46Å; T85-E89 VanDerWaalsContact O-CG 3.27Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.24Å
86H90.1Very high84.9Confident100 Ų100104.2 Ų104.246%0.46351%0.506SS..Hα-helixtrans-59.5-39.6175.8-177.3-77.6000112.3K82 L88 E89 E90K82-H86 WeakPolarHBondContact O-CB 3.23Å; K82-H86 PolarHBondContact O-N 3.42Å; K82-H86 VanDerWaalsContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.34Å; H86-E89 PolarHBondContact O-N 2.85Å; H86-E90 IonicContact CE1-OE2 3.15Å; H86-E90 IonicContact ND1-OE2 3.72Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 2.82Å; H86-E90 PolarHBondContact O-N 3.21Å
87L91.4Very high86.6Confident99 Ų99101.4 Ų101.452%0.51850%0.497SS..Hα-helixtrans-68.1-34176.9-176.261.6000112.2A83 V84 T85 E90 K91A83-L87 WeakPolarHBondContact O-CB 3.32Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-L87 VanDerWaalsContact O-N 3.1Å; V84-L87 PolarHBondContact O-N 2.82Å; T85-L87 VanDerWaalsContact C-N 3.29Å; T85-L87 PolarHBondContact O-N 3.46Å; L87-E90 PolarHBondContact O-N 3.15Å; L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.01Å
88L91.8Very high88.4Confident110 Ų110100.3 Ų100.358%0.57650%0.497SS*.Hα-helixtrans-70.1-45.9173.4-70.4170.6000111.7V84 T85 H86 E90 K91 E92V84-L88 HydrophobicContact CG1-CD1 4.05Å; V84-L88 HydrophobicContact CG1-CG 4.49Å; V84-L88 WeakPolarHBondContact O-CG 3.48Å; V84-L88 PolarHBondContact O-N 2.96Å; T85-L88 PolarHBondContact O-N 3.28Å; T85-L88 VanDerWaalsContact O-N 3.09Å; H86-L88 VanDerWaalsContact C-N 3.34Å; L88-E90 PolarHBondContact O-N 3.02Å; L88-K91 PolarHBondContact O-N 3.42Å; L88-K91 VanDerWaalsContact O-N 3.12Å; L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 2.95Å
89E93.4Very high90.3Very high95 Ų9595.5 Ų95.544%0.44449%0.491SS..Hα-helixtrans-57.9-33.2172.3-68.6160.4-14600111.6T85 H86 R93T85-E89 WeakPolarHBondContact O-CB 3.46Å; T85-E89 VanDerWaalsContact O-CG 3.27Å; T85-E89 WeakPolarHBondContact O-CG 3.38Å; T85-E89 PolarHBondContact O-N 3.24Å; H86-E89 PolarHBondContact O-N 2.85Å; E89-R93 WeakPolarHBondContact O-CG 3.42Å; E89-R93 PolarHBondContact O-N 2.96Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NE 3.28Å
90E94.4Very high91.8Very high73 Ų7395.5 Ų95.534%0.34149%0.485SS..Hα-helixtrans-72.2-42174.2-171.5164.4-16500112.8H86 L87 L88 R93 D94H86-E90 IonicContact CE1-OE2 3.15Å; H86-E90 IonicContact ND1-OE2 3.72Å; H86-E90 VanDerWaalsContact O-CB 3.27Å; H86-E90 WeakPolarHBondContact O-CB 2.82Å; H86-E90 PolarHBondContact O-N 3.21Å; L87-E90 PolarHBondContact O-N 3.15Å; L88-E90 PolarHBondContact O-N 3.02Å; E90-R93 VanDerWaalsContact CA-NH2 3.34Å; E90-R93 PolarHBondContact O-N 3.47Å; E90-D94 PolarHBondContact O-N 3.01Å
91K95.7Very high92.6Very high105 Ų10595.8 Ų95.846%0.45749%0.485SS..Hα-helixtrans-70.7-31.3174.3-67.2-63.6135.8-151.50113.1L87 L88 D94 L95L87-K91 WeakPolarHBondContact O-CG 3.45Å; L87-K91 PolarHBondContact O-N 3.01Å; L88-K91 PolarHBondContact O-N 3.42Å; L88-K91 VanDerWaalsContact O-N 3.12Å; K91-D94 IonicContact NZ-OD2 3.84Å; K91-D94 PolarHBondContact NZ-OD2 3.37Å; K91-D94 PolarHBondContact O-N 3.44Å; K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 3.36Å
92E94.5Very high93.5Very high122 Ų12291.6 Ų91.657%0.5747%0.473SS*.Hα-helixtrans-62.5-48.4171.2-175.5168.7-147.900110.6L88 D94 L95 E96L88-E92 WeakPolarHBondContact O-CB 3.46Å; L88-E92 PolarHBondContact O-N 2.95Å; E92-D94 PolarHBondContact O-N 2.75Å; E92-L95 PolarHBondContact O-N 3.34Å; E92-E96 PolarHBondContact O-N 3.12Å
93R96.4Very high94.1Very high121 Ų12190.3 Ų90.346%0.45747%0.47SS..Hα-helixtrans-60.4-39.2173.7-76-177-73.2100.7-11.5113.6E89 E90 L97E89-R93 WeakPolarHBondContact O-CG 3.42Å; E89-R93 PolarHBondContact O-N 2.96Å; E89-R93 VanDerWaalsContact O-N 3.13Å; E89-R93 PolarHBondContact O-NE 3.28Å; E90-R93 VanDerWaalsContact CA-NH2 3.34Å; E90-R93 PolarHBondContact O-N 3.47Å; R93-L97 WeakPolarHBondContact O-CB 3.47Å; R93-L97 PolarHBondContact O-N 3.36Å
94D97.8Very high94.7Very high70 Ų7091.9 Ų91.937%0.37448%0.478SS..Hα-helixtrans-65.1-42.8175.4-74.3-16.9000111.8E90 K91 E92 L97 A98E90-D94 PolarHBondContact O-N 3.01Å; K91-D94 IonicContact NZ-OD2 3.84Å; K91-D94 PolarHBondContact NZ-OD2 3.37Å; K91-D94 PolarHBondContact O-N 3.44Å; E92-D94 PolarHBondContact O-N 2.75Å; D94-L97 PolarHBondContact O-N 2.81Å; D94-A98 WeakPolarHBondContact O-CB 3.26Å; D94-A98 PolarHBondContact O-N 2.82Å
95L97.2Very high95.3Very high125 Ų12594.1 Ų94.165%0.65449%0.488SS*.Hα-helixtrans-67.3-40.7177.6-73.1169.1000111.7K91 E92 A98 A99K91-L95 WeakPolarHBondContact O-CB 3.4Å; K91-L95 VanDerWaalsContact O-CG 3.24Å; K91-L95 WeakPolarHBondContact O-CG 3.28Å; K91-L95 PolarHBondContact O-N 3.36Å; E92-L95 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 2.99Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.26Å; L95-A99 PolarHBondContact O-N 3.34Å
96E96.8Very high96Very high89 Ų8996 Ų9642%0.41650%0.495SS..Hα-helixtrans-58.4-46.2170.2-83.5-159.6-119.500111.8E92 A99 R100E92-E96 PolarHBondContact O-N 3.12Å; E96-A99 PolarHBondContact O-N 3.12Å; E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.44Å; E96-R100 IonicContact OE2-CZ 3.65Å; E96-R100 IonicContact OE2-NE 3.58Å; E96-R100 IonicContact OE2-NH2 3.73Å; E96-R100 PolarHBondContact OE2-NH2 3.3Å
97L97.5Very high96.4Very high98 Ų9897.9 Ų97.951%0.51350%0.502SS..Hα-helixtrans-64.5-44.3179.7-177.661.2000111.2R93 D94 A99 R100 I101R93-L97 WeakPolarHBondContact O-CB 3.47Å; R93-L97 PolarHBondContact O-N 3.36Å; D94-L97 PolarHBondContact O-N 2.81Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.43Å; L97-R100 PolarHBondContact O-N 2.91Å; L97-I101 HydrophobicContact CD1-CD1 4.12Å; L97-I101 HydrophobicContact CD1-CG1 4.41Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CB 2.86Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.46Å
98A98.1Very high96.7Very high59 Ų5998.1 Ų98.149%0.48850%0.501SS..Hα-helixtrans-60.8-42174.700000112D94 L95 I101 G102D94-A98 WeakPolarHBondContact O-CB 3.26Å; D94-A98 PolarHBondContact O-N 2.82Å; L95-A98 PolarHBondContact O-N 2.99Å; A98-I101 PolarHBondContact O-N 2.91Å; A98-G102 PolarHBondContact O-N 3.04Å
99A97.1Very high96.9Very high65 Ų6597.4 Ų97.454%0.53750%0.497SS..Hα-helixtrans-64.9-42.5176.100000112.3L95 E96 L97 G102 Q103L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.26Å; L95-A99 PolarHBondContact O-N 3.34Å; E96-A99 PolarHBondContact O-N 3.12Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.43Å; A99-G102 PolarHBondContact O-N 2.88Å; A99-Q103 WeakPolarHBondContact O-CB 3.36Å; A99-Q103 PolarHBondContact O-N 3.2Å
100R97.5Very high97.1Very high152 Ų15298.6 Ų98.657%0.57450%0.503SS*.Hα-helixtrans-65.1-41.2175.6-68.6171.6-162.7-164.68112.1E96 L97 Q103 S104E96-R100 WeakPolarHBondContact O-CB 3.47Å; E96-R100 VanDerWaalsContact O-CG 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.5Å; E96-R100 PolarHBondContact O-N 3.44Å; E96-R100 IonicContact OE2-CZ 3.65Å; E96-R100 IonicContact OE2-NE 3.58Å; E96-R100 IonicContact OE2-NH2 3.73Å; E96-R100 PolarHBondContact OE2-NH2 3.3Å; L97-R100 PolarHBondContact O-N 2.91Å; R100-Q103 PolarHBondContact O-N 3.12Å; R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.32Å
101I97.6Very high97.3Very high90 Ų90101.6 Ų101.646%0.46252%0.517SS..Hα-helixtrans-63.9-46.7174.3-69.6167.2000110L97 A98 Q103 S104 L105L97-I101 HydrophobicContact CD1-CD1 4.12Å; L97-I101 HydrophobicContact CD1-CG1 4.41Å; L97-I101 HydrophobicContact CG-CD1 3.94Å; L97-I101 WeakPolarHBondContact O-CB 2.86Å; L97-I101 VanDerWaalsContact O-CG1 3.28Å; L97-I101 WeakPolarHBondContact O-CG1 3.28Å; L97-I101 PolarHBondContact O-N 3.46Å; A98-I101 PolarHBondContact O-N 2.91Å; I101-Q103 VanDerWaalsContact C-N 3.35Å; I101-Q103 PolarHBondContact O-N 2.97Å; I101-S104 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.17Å
102G98.3Very high97.4Very high36 Ų36100.5 Ų100.537%0.37152%0.515SS..Hα-helixtrans-58.3-43.2175.200000112.8A98 A99 L105 L106A98-G102 PolarHBondContact O-N 3.04Å; A99-G102 PolarHBondContact O-N 2.88Å; G102-L105 PolarHBondContact O-N 2.96Å; G102-L106 VanDerWaalsContact O-CB 3.23Å; G102-L106 WeakPolarHBondContact O-CB 3.37Å; G102-L106 PolarHBondContact O-N 2.8Å
103Q96.6Very high97.6Very high141 Ų14198.1 Ų98.166%0.65951%0.51SS*.Hα-helixtrans-65.9-39175.4-169.5179.423.700112.3A99 R100 I101 L106 K107A99-Q103 WeakPolarHBondContact O-CB 3.36Å; A99-Q103 PolarHBondContact O-N 3.2Å; R100-Q103 PolarHBondContact O-N 3.12Å; I101-Q103 VanDerWaalsContact C-N 3.35Å; I101-Q103 PolarHBondContact O-N 2.97Å; Q103-L106 PolarHBondContact O-N 3.42Å; Q103-K107 WeakPolarHBondContact O-CB 3.46Å; Q103-K107 PolarHBondContact O-N 2.92Å
104S97.7Very high97.6Very high76 Ų7695.3 Ų95.353%0.53151%0.509SS..Hα-helixtrans-65.2-44.3175.6-169.60000111.8R100 I101 K107 Q108R100-S104 WeakPolarHBondContact O-CB 3.41Å; R100-S104 PolarHBondContact O-N 3.32Å; I101-S104 PolarHBondContact O-N 2.92Å; S104-K107 PolarHBondContact O-N 2.75Å; S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.24Å
105L98.1Very high97.6Very high90 Ų9099.3 Ų99.347%0.47152%0.518SS..Hα-helixtrans-66.3-39175.5-70.4171.5000111.6I101 G102 Q108 N109I101-L105 HydrophobicContact CG2-CD1 3.9Å; I101-L105 HydrophobicContact CG2-CG 4.39Å; I101-L105 WeakPolarHBondContact O-CB 3.41Å; I101-L105 WeakPolarHBondContact O-CG 3.38Å; I101-L105 PolarHBondContact O-N 3.17Å; G102-L105 PolarHBondContact O-N 2.96Å; L105-Q108 PolarHBondContact O-N 2.97Å; L105-N109 WeakPolarHBondContact O-CB 3.22Å; L105-N109 PolarHBondContact O-N 3.47Å; L105-N109 PolarHBondContact O-ND2 3.46Å
106L98.1Very high97.6Very high100 Ų10097.7 Ų97.752%0.52451%0.51SS..Hα-helixtrans-65-42.7176.2-173.6151000111.1G102 Q103 N109 Q110G102-L106 VanDerWaalsContact O-CB 3.23Å; G102-L106 WeakPolarHBondContact O-CB 3.37Å; G102-L106 PolarHBondContact O-N 2.8Å; Q103-L106 PolarHBondContact O-N 3.42Å; L106-N109 PolarHBondContact O-N 2.91Å; L106-Q110 HydrophobicContact CD2-CG 4.26Å; L106-Q110 WeakPolarHBondContact O-CG 3.32Å; L106-Q110 PolarHBondContact O-N 3.2Å
107K97.9Very high97.7Very high139 Ų13998.7 Ų98.760%0.60452%0.515SS*.Hα-helixtrans-62.5-44.3173.5-174.5-175.7174.9-171.70111.8Q103 S104 N109 Q110 E111Q103-K107 WeakPolarHBondContact O-CB 3.46Å; Q103-K107 PolarHBondContact O-N 2.92Å; S104-K107 PolarHBondContact O-N 2.75Å; K107-N109 VanDerWaalsContact C-N 3.32Å; K107-N109 PolarHBondContact O-N 3.31Å; K107-Q110 WeakPolarHBondContact O-CB 3.36Å; K107-Q110 PolarHBondContact O-N 3.45Å; K107-E111 PolarHBondContact O-N 2.9Å
108Q97.9Very high97.7Very high105 Ų10596.8 Ų96.849%0.49151%0.507SS..Hα-helixtrans-62.4-39.5176.5-175.9-179.7-900111.6S104 L105 E111 L112S104-Q108 WeakPolarHBondContact O-CB 3.45Å; S104-Q108 PolarHBondContact O-N 3.24Å; L105-Q108 PolarHBondContact O-N 2.97Å; Q108-E111 PolarHBondContact O-N 3.36Å; Q108-L112 HydrophobicContact CG-CD1 4.28Å; Q108-L112 WeakPolarHBondContact O-CB 3.37Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.43Å; Q108-L112 PolarHBondContact O-N 2.94Å
109N97.1Very high97.7Very high95 Ų9597.4 Ų97.451%0.50850%0.502SS..Hα-helixtrans-65.1-41.6173.6-80.9-73.2000111.8L105 L106 K107 E111 L112 T113L105-N109 WeakPolarHBondContact O-CB 3.22Å; L105-N109 PolarHBondContact O-N 3.47Å; L105-N109 PolarHBondContact O-ND2 3.46Å; L106-N109 PolarHBondContact O-N 2.91Å; K107-N109 VanDerWaalsContact C-N 3.32Å; K107-N109 PolarHBondContact O-N 3.31Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.01Å; N109-L112 CarbonylContact O-C 3.59Å; N109-L112 PolarHBondContact O-N 3.32Å; N109-T113 WeakPolarHBondContact O-CB 3.39Å; N109-T113 PolarHBondContact O-N 2.86Å; N109-T113 PolarHBondContact O-OG1 2.9Å
110Q97.9Very high97.7Very high120 Ų12098.8 Ų98.856%0.56150%0.501SS*.Hα-helixtrans-60.2-40.5173.8-74174.8-28.600112.5L106 K107 T113 S114L106-Q110 HydrophobicContact CD2-CG 4.26Å; L106-Q110 WeakPolarHBondContact O-CG 3.32Å; L106-Q110 PolarHBondContact O-N 3.2Å; K107-Q110 WeakPolarHBondContact O-CB 3.36Å; K107-Q110 PolarHBondContact O-N 3.45Å; Q110-T113 PolarHBondContact O-N 3.25Å; Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 3.31Å
111E97.9Very high97.7Very high136 Ų13697.6 Ų97.664%0.63650%0.501SS*.Hα-helixtrans-66.1-38.9175.5-170.4174.7161.600111.9K107 Q108 N109 R115K107-E111 PolarHBondContact O-N 2.9Å; Q108-E111 PolarHBondContact O-N 3.36Å; N109-E111 VanDerWaalsContact C-N 3.33Å; N109-E111 PolarHBondContact O-N 3.01Å; E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.26Å; E111-R115 PolarHBondContact O-N 3.07Å
112L97.7Very high97.7Very high81 Ų8198.9 Ų98.942%0.42451%0.505SS..Hα-helixtrans-69.4-38.7173.5-71.1170.2000112.8Q108 N109 R115 N116Q108-L112 HydrophobicContact CG-CD1 4.28Å; Q108-L112 WeakPolarHBondContact O-CB 3.37Å; Q108-L112 VanDerWaalsContact O-CG 3.31Å; Q108-L112 WeakPolarHBondContact O-CG 3.43Å; Q108-L112 PolarHBondContact O-N 2.94Å; N109-L112 CarbonylContact O-C 3.59Å; N109-L112 PolarHBondContact O-N 3.32Å; L112-R115 PolarHBondContact O-N 2.93Å; L112-N116 VanDerWaalsContact O-CG 3.31Å; L112-N116 PolarHBondContact O-N 3.35Å; L112-N116 PolarHBondContact O-OD1 2.9Å
113T97.6Very high97.7Very high73 Ų73101.2 Ų101.245%0.44851%0.509SS..Hα-helixtrans-62.6-50.5173.9-620000110.4N109 Q110 R115 N116 E117N109-T113 WeakPolarHBondContact O-CB 3.39Å; N109-T113 PolarHBondContact O-N 2.86Å; N109-T113 PolarHBondContact O-OG1 2.9Å; Q110-T113 PolarHBondContact O-N 3.25Å; T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.88Å; T113-N116 PolarHBondContact O-N 2.96Å; T113-E117 HydrophobicContact CG2-CG 4.47Å; T113-E117 WeakPolarHBondContact O-CG 3.48Å; T113-E117 PolarHBondContact O-N 2.87Å
114S97.7Very high97.8Very high62 Ų6299.4 Ų99.443%0.43450%0.501SS..Hα-helixtrans-61.5-37176.8-177.20000112.3Q110 E117 T118Q110-S114 WeakPolarHBondContact O-CB 3.39Å; Q110-S114 PolarHBondContact O-N 3.31Å; S114-E117 WeakPolarHBondContact CA-OE2 3.4Å; S114-E117 PolarHBondContact O-N 3.14Å; S114-T118 WeakPolarHBondContact O-CG2 3.36Å; S114-T118 PolarHBondContact O-N 3.19Å; S114-T118 PolarHBondContact O-OG1 3.4Å
115R98.1Very high97.8Very high153 Ų153101.2 Ų101.258%0.57750%0.503SS*.Hα-helixtrans-62.3-44.2171.8-177176.2-179.6768.2112.1E111 L112 T113 T118 L119E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.26Å; E111-R115 PolarHBondContact O-N 3.07Å; L112-R115 PolarHBondContact O-N 2.93Å; T113-R115 VanDerWaalsContact C-N 3.29Å; T113-R115 PolarHBondContact O-N 2.88Å; R115-T118 PolarHBondContact O-N 3.13Å; R115-T118 PolarHBondContact O-OG1 3.47Å; R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 2.96Å; R115-L119 VanDerWaalsContact O-N 3.12Å
116N97.4Very high97.7Very high92 Ų9298.9 Ų98.949%0.49250%0.497SS..Hα-helixtrans-64.6-43.8176.9-72.2-5.2000111.3L112 T113 T118 L119 D120L112-N116 VanDerWaalsContact O-CG 3.31Å; L112-N116 PolarHBondContact O-N 3.35Å; L112-N116 PolarHBondContact O-OD1 2.9Å; T113-N116 PolarHBondContact O-N 2.96Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.2Å; N116-L119 CarbonylContact O-C 3.52Å; N116-L119 WeakPolarHBondContact O-CA 3.38Å; N116-L119 WeakPolarHBondContact O-CB 3.3Å; N116-L119 PolarHBondContact O-N 3.5Å; N116-D120 PolarHBondContact O-N 3.24Å
117E97.9Very high97.7Very high110 Ų11099 Ų9951%0.51449%0.493SS..Hα-helixtrans-52.8-49.1173.9-70.5165.617000111T113 S114 L119 D120 E121T113-E117 HydrophobicContact CG2-CG 4.47Å; T113-E117 WeakPolarHBondContact O-CG 3.48Å; T113-E117 PolarHBondContact O-N 2.87Å; S114-E117 WeakPolarHBondContact CA-OE2 3.4Å; S114-E117 PolarHBondContact O-N 3.14Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 2.86Å; E117-D120 PolarHBondContact O-N 3.46Å; E117-E121 WeakPolarHBondContact O-CG 3.38Å; E117-E121 PolarHBondContact O-N 2.86Å
118T97.6Very high97.7Very high57 Ų5799.1 Ų99.135%0.3550%0.496SS..Hα-helixtrans-68-20.2176.862.60000114.8S114 R115 N116 Q122S114-T118 WeakPolarHBondContact O-CG2 3.36Å; S114-T118 PolarHBondContact O-N 3.19Å; S114-T118 PolarHBondContact O-OG1 3.4Å; R115-T118 PolarHBondContact O-N 3.13Å; R115-T118 PolarHBondContact O-OG1 3.47Å; N116-T118 VanDerWaalsContact C-N 3.33Å; N116-T118 PolarHBondContact O-N 3.2Å; T118-Q122 VanDerWaalsContact O-CG 3.31Å; T118-Q122 WeakPolarHBondContact O-CG 3.48Å; T118-Q122 PolarHBondContact O-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.38Å
119L97.9Very high97.8Very high73 Ų7399.7 Ų99.738%0.38250%0.499SS..Hα-helixtrans-83.5-39.4174.7-73.6169.9000111.1R115 N116 E117 Q122 L123R115-L119 HydrophobicContact CG-CD1 4.22Å; R115-L119 WeakPolarHBondContact O-CG 3.41Å; R115-L119 PolarHBondContact O-N 2.96Å; R115-L119 VanDerWaalsContact O-N 3.12Å; N116-L119 CarbonylContact O-C 3.52Å; N116-L119 WeakPolarHBondContact O-CA 3.38Å; N116-L119 WeakPolarHBondContact O-CB 3.3Å; N116-L119 PolarHBondContact O-N 3.5Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 2.86Å; L119-Q122 PolarHBondContact O-N 2.9Å; L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.44Å
120D97.4Very high97.8Very high94 Ų9499.1 Ų99.150%0.50349%0.494SS..Hα-helixtrans-64.9-40.4173.3-70.9-35.6000110.8N116 E117 Q122 L123 E124N116-D120 PolarHBondContact O-N 3.24Å; E117-D120 PolarHBondContact O-N 3.46Å; D120-Q122 PolarHBondContact O-N 3.21Å; D120-L123 WeakPolarHBondContact O-CB 3.38Å; D120-L123 PolarHBondContact O-N 2.71Å; D120-L123 VanDerWaalsContact O-N 3.13Å; D120-E124 PolarHBondContact O-N 3.26Å
121E97.7Very high97.8Very high126 Ų12696.1 Ų96.159%0.58949%0.49SS*.Hα-helixtrans-56.6-47.6170.4-75.8177.2165.600112.2E117 L123 E124 I125E117-E121 WeakPolarHBondContact O-CG 3.38Å; E117-E121 PolarHBondContact O-N 2.86Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.94Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-I125 VanDerWaalsContact O-CG1 3.29Å; E121-I125 WeakPolarHBondContact O-CG1 3.46Å; E121-I125 PolarHBondContact O-N 3.1Å
122Q97.8Very high97.8Very high117 Ų11795.1 Ų95.155%0.54749%0.486SS..Hα-helixtrans-63.6-33.7175.7-76167.757.500112.3T118 L119 D120 A126T118-Q122 VanDerWaalsContact O-CG 3.31Å; T118-Q122 WeakPolarHBondContact O-CG 3.48Å; T118-Q122 PolarHBondContact O-N 2.76Å; T118-Q122 PolarHBondContact O-NE2 3.38Å; L119-Q122 PolarHBondContact O-N 2.9Å; D120-Q122 PolarHBondContact O-N 3.21Å; Q122-A126 WeakPolarHBondContact O-CB 3.27Å; Q122-A126 PolarHBondContact O-N 3.2Å
123L97.6Very high97.8Very high85 Ų8595.5 Ų95.545%0.44549%0.488SS..Hα-helixtrans-69.2-43.3177.9-150.1178.3000110.9L119 D120 E121 A126 K127L119-L123 WeakPolarHBondContact O-CB 3.29Å; L119-L123 PolarHBondContact O-N 3.44Å; D120-L123 WeakPolarHBondContact O-CB 3.38Å; D120-L123 PolarHBondContact O-N 2.71Å; D120-L123 VanDerWaalsContact O-N 3.13Å; E121-L123 VanDerWaalsContact C-N 3.27Å; E121-L123 PolarHBondContact O-N 2.94Å; L123-A126 PolarHBondContact O-N 3.27Å; L123-K127 HydrophobicContact CD2-CD 3.74Å; L123-K127 HydrophobicContact CD2-CG 4Å; L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CG 3.08Å; L123-K127 PolarHBondContact O-N 2.99Å
124E98.1Very high97.8Very high103 Ų103100.4 Ų100.448%0.48150%0.498SS..Hα-helixtrans-67.1-40.2174.3-63.5-45.7130.400112.5D120 E121 A126 K127 E128D120-E124 PolarHBondContact O-N 3.26Å; E121-E124 PolarHBondContact O-N 3.14Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 3.48Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.4Å; E124-K127 IonicContact OE1-NZ 3.78Å; E124-K127 PolarHBondContact OE1-NZ 3.38Å; E124-K127 WeakPolarHBondContact OE2-CD 3.49Å; E124-K127 IonicContact OE2-NZ 2.65Å; E124-K127 PolarHBondContact OE2-NZ 2.76Å; E124-E128 PolarHBondContact O-N 2.67Å
125I98Very high97.8Very high114 Ų114103.3 Ų103.359%0.58550%0.504SS*.Hα-helixtrans-59.5-45.7173.5-68.4164.1000110.6E121 K127 E128 E129E121-I125 VanDerWaalsContact O-CG1 3.29Å; E121-I125 WeakPolarHBondContact O-CG1 3.46Å; E121-I125 PolarHBondContact O-N 3.1Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.12Å; I125-E128 PolarHBondContact O-N 3Å; I125-E129 PolarHBondContact O-N 3.39Å
126A97.3Very high97.8Very high41 Ų4199 Ų9934%0.33949%0.491SS..Hα-helixtrans-66.5-33.517700000112.8Q122 L123 E124 I130Q122-A126 WeakPolarHBondContact O-CB 3.27Å; Q122-A126 PolarHBondContact O-N 3.2Å; L123-A126 PolarHBondContact O-N 3.27Å; E124-A126 VanDerWaalsContact C-N 3.34Å; E124-A126 PolarHBondContact O-N 3.48Å; A126-I130 WeakPolarHBondContact O-CB 3.29Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.22Å; A126-I130 PolarHBondContact O-N 3.49Å
127K98Very high97.8Very high102 Ų10299.2 Ų99.244%0.44349%0.491SS..Hα-helixtrans-65.3-42.1171.4-79.2163.5168.1171.60111.8L123 E124 I125 I130 A131L123-K127 HydrophobicContact CD2-CD 3.74Å; L123-K127 HydrophobicContact CD2-CG 4Å; L123-K127 WeakPolarHBondContact O-CB 3.29Å; L123-K127 WeakPolarHBondContact O-CG 3.08Å; L123-K127 PolarHBondContact O-N 2.99Å; E124-K127 WeakPolarHBondContact O-CB 3.35Å; E124-K127 PolarHBondContact O-N 3.4Å; E124-K127 IonicContact OE1-NZ 3.78Å; E124-K127 PolarHBondContact OE1-NZ 3.38Å; E124-K127 WeakPolarHBondContact OE2-CD 3.49Å; E124-K127 IonicContact OE2-NZ 2.65Å; E124-K127 PolarHBondContact OE2-NZ 2.76Å; I125-K127 VanDerWaalsContact C-N 3.34Å; I125-K127 PolarHBondContact O-N 3.12Å; K127-I130 PolarHBondContact O-N 3.09Å; K127-A131 WeakPolarHBondContact O-CB 3.49Å; K127-A131 PolarHBondContact O-N 3.27Å
128E98.1Very high97.8Very high142 Ų14297.3 Ų97.366%0.66449%0.488SS*.Hα-helixtrans-66.3-44177.9-173.5166.5-15100111.1E124 I125 I130 A131 Q132E124-E128 PolarHBondContact O-N 2.67Å; I125-E128 PolarHBondContact O-N 3Å; E128-I130 PolarHBondContact O-N 2.95Å; E128-A131 WeakPolarHBondContact O-CB 3.41Å; E128-A131 PolarHBondContact O-N 2.84Å; E128-A131 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact O-N 3.4Å
129E98.1Very high97.7Very high118 Ų11899.6 Ų99.655%0.55150%0.496SS*.Hα-helixtrans-58.3-46.5172.4-173.9-178.1-172.100111.4I125 A131 Q132 L133I125-E129 PolarHBondContact O-N 3.39Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 2.8Å; E129-Q132 PolarHBondContact O-N 2.94Å; E129-L133 HydrophobicContact CG-CD1 3.91Å; E129-L133 HydrophobicContact CG-CG 4.33Å; E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.38Å
130I98Very high97.7Very high82 Ų82102.8 Ų102.842%0.42150%0.502SS..Hα-helixtrans-62.2-37.1175.7-72.4166.8000111.6A126 K127 E128 R134A126-I130 WeakPolarHBondContact O-CB 3.29Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.22Å; A126-I130 PolarHBondContact O-N 3.49Å; K127-I130 PolarHBondContact O-N 3.09Å; E128-I130 PolarHBondContact O-N 2.95Å; I130-R134 VanDerWaalsContact O-CB 3.3Å; I130-R134 WeakPolarHBondContact O-CB 3.18Å; I130-R134 WeakPolarHBondContact O-CD 3.26Å; I130-R134 WeakPolarHBondContact O-CG 3.47Å; I130-R134 PolarHBondContact O-N 3.46Å
131A97.7Very high97.6Very high57 Ų57102.4 Ų102.447%0.47150%0.501SS..Hα-helixtrans-69.2-43.9176.900000111.9K127 E128 E129 R134 H135K127-A131 WeakPolarHBondContact O-CB 3.49Å; K127-A131 PolarHBondContact O-N 3.27Å; E128-A131 WeakPolarHBondContact O-CB 3.41Å; E128-A131 PolarHBondContact O-N 2.84Å; E128-A131 VanDerWaalsContact O-N 3.13Å; E129-A131 VanDerWaalsContact C-N 3.3Å; E129-A131 PolarHBondContact O-N 2.8Å; A131-R134 PolarHBondContact O-N 3.08Å; A131-H135 PolarHBondContact O-N 3.15Å
132Q97.9Very high97.5Very high115 Ų11599.7 Ų99.754%0.53749%0.49SS..Hα-helixtrans-60.3-53.6174.1-179.2-178.2-25.900110.5E128 E129 R134 H135 E136E128-Q132 PolarHBondContact O-N 3.4Å; E129-Q132 PolarHBondContact O-N 2.94Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 3.12Å; Q132-H135 PolarHBondContact O-N 3.14Å; Q132-H135 VanDerWaalsContact O-N 3.11Å; Q132-E136 PolarHBondContact NE2-OE1 2.85Å; Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.78Å
133L98Very high97.3Very high90 Ų9098.4 Ų98.447%0.47149%0.487SS..Hα-helixtrans-59.9-35.6-179.5-71.4174.8000112.3E129 L137E129-L133 HydrophobicContact CG-CD1 3.91Å; E129-L133 HydrophobicContact CG-CG 4.33Å; E129-L133 WeakPolarHBondContact O-CB 3.46Å; E129-L133 VanDerWaalsContact O-CG 3.29Å; E129-L133 WeakPolarHBondContact O-CG 3.49Å; E129-L133 PolarHBondContact O-N 3.38Å; L133-L137 VanDerWaalsContact O-CB 3.25Å; L133-L137 WeakPolarHBondContact O-CB 3.32Å; L133-L137 PolarHBondContact O-N 2.64Å
134R97.6Very high97Very high175 Ų17599.7 Ų99.766%0.6649%0.493SS*.Hα-helixtrans-65-48.4172.5-78.5169.3179.3179.91.8112.1I130 A131 Q132 E136 L137 T138I130-R134 VanDerWaalsContact O-CB 3.3Å; I130-R134 WeakPolarHBondContact O-CB 3.18Å; I130-R134 WeakPolarHBondContact O-CD 3.26Å; I130-R134 WeakPolarHBondContact O-CG 3.47Å; I130-R134 PolarHBondContact O-N 3.46Å; A131-R134 PolarHBondContact O-N 3.08Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 3.12Å; R134-E136 VanDerWaalsContact C-N 3.34Å; R134-E136 PolarHBondContact O-N 3.14Å; R134-L137 PolarHBondContact O-N 3.15Å; R134-T138 PolarHBondContact O-N 3.49Å; R134-T138 PolarHBondContact O-OG1 3.38Å; R134-T138 VanDerWaalsContact O-OG1 3.14Å
135H97.7Very high96.6Very high123 Ų123101.3 Ų101.357%0.56950%0.501SS*.Hα-helixtrans-62.2-43.5177.4177.944.7000111.6A131 Q132 L137 T138 M139A131-H135 PolarHBondContact O-N 3.15Å; Q132-H135 PolarHBondContact O-N 3.14Å; Q132-H135 VanDerWaalsContact O-N 3.11Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 2.84Å; H135-T138 PolarHBondContact O-N 3.28Å; H135-M139 WeakPolarHBondContact O-CG 3.37Å; H135-M139 PolarHBondContact O-N 3.46Å
136E97.8Very high96.2Very high62 Ų62102.7 Ų102.729%0.2950%0.503SS..Hα-helixtrans-61.6-31.8174.4-99.8-159.8-121.400113.8Q132 R134 R140Q132-E136 PolarHBondContact NE2-OE1 2.85Å; Q132-E136 WeakPolarHBondContact O-CB 3.29Å; Q132-E136 PolarHBondContact O-N 2.78Å; R134-E136 VanDerWaalsContact C-N 3.34Å; R134-E136 PolarHBondContact O-N 3.14Å; E136-R140 WeakPolarHBondContact O-CG 3.42Å; E136-R140 PolarHBondContact O-N 2.64Å; E136-R140 PolarHBondContact O-NH1 3.32Å; E136-R140 IonicContact OE2-CZ 3.21Å; E136-R140 VanDerWaalsContact OE2-CZ 3.23Å; E136-R140 IonicContact OE2-NH1 3.91Å; E136-R140 PolarHBondContact OE2-NH1 2.66Å; E136-R140 IonicContact OE2-NH2 3.51Å; E136-R140 PolarHBondContact OE2-NH2 3.47Å
137L97.1Very high95.8Very high97 Ų97108 Ų10851%0.50852%0.515SS..Hα-helixtrans-73.9-47.5173.8-173.3153.3000110.3L133 R134 H135 M139 R140 D141L133-L137 VanDerWaalsContact O-CB 3.25Å; L133-L137 WeakPolarHBondContact O-CB 3.32Å; L133-L137 PolarHBondContact O-N 2.64Å; R134-L137 PolarHBondContact O-N 3.15Å; H135-L137 VanDerWaalsContact C-N 3.29Å; H135-L137 PolarHBondContact O-N 2.84Å; L137-M139 VanDerWaalsContact C-N 3.33Å; L137-M139 PolarHBondContact O-N 3.39Å; L137-R140 WeakPolarHBondContact O-CA 3.36Å; L137-R140 WeakPolarHBondContact O-CB 3.34Å; L137-R140 PolarHBondContact O-N 2.8Å; L137-D141 VanDerWaalsContact CD2-OD2 3.24Å; L137-D141 WeakPolarHBondContact CD2-OD2 3.45Å; L137-D141 PolarHBondContact O-N 2.81Å
138T97.3Very high95.1Very high71 Ų71105.8 Ų105.844%0.43652%0.516SS..Hα-helixtrans-57.2-44175.1-54.80000112.1R134 H135 R140 D141 D142R134-T138 PolarHBondContact O-N 3.49Å; R134-T138 PolarHBondContact O-OG1 3.38Å; R134-T138 VanDerWaalsContact O-OG1 3.14Å; H135-T138 PolarHBondContact O-N 3.28Å; T138-R140 PolarHBondContact O-N 3.5Å; T138-D141 PolarHBondContact O-N 3.43Å; T138-D142 WeakPolarHBondContact O-CB 3.44Å; T138-D142 PolarHBondContact O-N 2.9Å
139M97.1Very high94.1Very high105 Ų105101.6 Ų101.652%0.51750%0.502SS..Hα-helixtrans-62.7-26.8176.4-72.7-62.4-55.100113.4H135 L137 L143H135-M139 WeakPolarHBondContact O-CG 3.37Å; H135-M139 PolarHBondContact O-N 3.46Å; L137-M139 VanDerWaalsContact C-N 3.33Å; L137-M139 PolarHBondContact O-N 3.39Å; M139-L143 PolarHBondContact O-N 2.84Å
140R96.4Very high93.2Very high139 Ų13999.3 Ų99.353%0.52550%0.496SS..Hα-helixtrans-82-38.8173.9-72.4177.9-176101.3-1.6111.6E136 L137 T138 L143 L144E136-R140 WeakPolarHBondContact O-CG 3.42Å; E136-R140 PolarHBondContact O-N 2.64Å; E136-R140 PolarHBondContact O-NH1 3.32Å; E136-R140 IonicContact OE2-CZ 3.21Å; E136-R140 VanDerWaalsContact OE2-CZ 3.23Å; E136-R140 IonicContact OE2-NH1 3.91Å; E136-R140 PolarHBondContact OE2-NH1 2.66Å; E136-R140 IonicContact OE2-NH2 3.51Å; E136-R140 PolarHBondContact OE2-NH2 3.47Å; L137-R140 WeakPolarHBondContact O-CA 3.36Å; L137-R140 WeakPolarHBondContact O-CB 3.34Å; L137-R140 PolarHBondContact O-N 2.8Å; T138-R140 PolarHBondContact O-N 3.5Å; R140-L143 PolarHBondContact O-N 3.11Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 2.95Å
141D96.4Very high91.9Very high87 Ų87101.6 Ų101.647%0.46551%0.505SS..Hα-helixtrans-63.8-44.4174.7-75.3-10.4000111.7L137 T138 L143 L144 Q145L137-D141 VanDerWaalsContact CD2-OD2 3.24Å; L137-D141 WeakPolarHBondContact CD2-OD2 3.45Å; L137-D141 PolarHBondContact O-N 2.81Å; T138-D141 PolarHBondContact O-N 3.43Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.47Å; D141-L144 PolarHBondContact O-N 3.2Å; D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 3.27Å
142D95Very high90.2Very high68 Ų68106.1 Ų106.136%0.36452%0.517SS..Hα-helixtrans-56.7-45.7173.8-74.4-19.6000110.9T138 Q145 F146T138-D142 WeakPolarHBondContact O-CB 3.44Å; T138-D142 PolarHBondContact O-N 2.9Å; D142-Q145 WeakPolarHBondContact O-CB 3.47Å; D142-Q145 PolarHBondContact O-N 2.96Å; D142-F146 WeakPolarHBondContact O-CD2 3.25Å; D142-F146 PolarHBondContact O-N 3.3Å
143L94.3Very high88.4Confident91 Ų91104.5 Ų104.548%0.47652%0.515SS..Hα-helixtrans-65.4-39.7178-177.461.1000112.2M139 R140 D141 Q145 F146 Y147M139-L143 PolarHBondContact O-N 2.84Å; R140-L143 PolarHBondContact O-N 3.11Å; D141-L143 VanDerWaalsContact C-N 3.31Å; D141-L143 PolarHBondContact O-N 3.47Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; L143-F146 PolarHBondContact O-N 3.43Å; L143-Y147 HydrophobicContact CD1-CD2 4.14Å; L143-Y147 HydrophobicContact CD1-CE2 3.69Å; L143-Y147 HydrophobicContact CD2-CE2 4.35Å; L143-Y147 HydrophobicContact CG-CD2 4.05Å; L143-Y147 HydrophobicContact CG-CE2 3.81Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.23Å
144L91.1Very high86.5Confident112 Ų112106.9 Ų106.959%0.58652%0.524SS*.Hα-helixtrans-65.5-36.2173.5-72.4169.4000111.7R140 D141 Y147 A148R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 2.95Å; D141-L144 PolarHBondContact O-N 3.2Å; L144-Y147 PolarHBondContact O-N 2.83Å; L144-A148 WeakPolarHBondContact O-CB 3.33Å; L144-A148 PolarHBondContact O-N 2.86Å
145Q89.7Confident84.3Confident137 Ų137104 Ų10464%0.6452%0.521SS*.Hα-helixtrans-65.7-39.6173.7-169.217822.700111.8D141 D142 L143 S149D141-Q145 WeakPolarHBondContact O-CB 3.31Å; D141-Q145 PolarHBondContact O-N 3.27Å; D142-Q145 WeakPolarHBondContact O-CB 3.47Å; D142-Q145 PolarHBondContact O-N 2.96Å; L143-Q145 VanDerWaalsContact C-N 3.33Å; Q145-S149 WeakPolarHBondContact O-CB 3.46Å; Q145-S149 PolarHBondContact O-N 3.37Å; Q145-S149 PolarHBondContact O-OG 3.33Å
146F89.3Confident82.1Confident143 Ų143101.9 Ų101.963%0.62753%0.525SS*.Hα-helixtrans-61.3-43170.5-78.7-64.7000112.1D142 L143 S149 T150D142-F146 WeakPolarHBondContact O-CD2 3.25Å; D142-F146 PolarHBondContact O-N 3.3Å; L143-F146 PolarHBondContact O-N 3.43Å; F146-S149 PolarHBondContact O-OG 3.29Å; F146-T150 VanDerWaalsContact O-CB 3.28Å; F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.45Å; F146-T150 PolarHBondContact O-OG1 2.97Å
147Y88.4Confident79.9Confident153 Ų153106.5 Ų106.560%0.655%0.546SS*.Hα-helixtrans-66.5-44.9176.4-80.6-64.7000113L143 L144 S149 T150 E151L143-Y147 HydrophobicContact CD1-CD2 4.14Å; L143-Y147 HydrophobicContact CD1-CE2 3.69Å; L143-Y147 HydrophobicContact CD2-CE2 4.35Å; L143-Y147 HydrophobicContact CG-CD2 4.05Å; L143-Y147 HydrophobicContact CG-CE2 3.81Å; L143-Y147 WeakPolarHBondContact O-CD2 3.18Å; L143-Y147 PolarHBondContact O-N 3.23Å; L144-Y147 PolarHBondContact O-N 2.83Å; Y147-S149 PolarHBondContact O-N 3.39Å; Y147-T150 PolarHBondContact O-N 2.83Å; Y147-E151 PolarHBondContact O-N 2.86Å
148A83.6Confident77.4Confident55 Ų55105 Ų10546%0.45555%0.554SS.*Hα-helixtrans-60.9-45.5178.200000112.1L144 T150 E151 E152L144-A148 WeakPolarHBondContact O-CB 3.33Å; L144-A148 PolarHBondContact O-N 2.86Å; A148-T150 VanDerWaalsContact C-N 3.33Å; A148-T150 PolarHBondContact O-N 3.49Å; A148-E151 PolarHBondContact O-N 3.28Å; A148-E152 PolarHBondContact O-N 3.29Å
149S78.6Confident74.8Confident54 Ų54109.1 Ų109.138%0.37857%0.573SS.*Hα-helixtrans-70.6-25.9176.356.40000113.6Q145 F146 Y147 T153Q145-S149 WeakPolarHBondContact O-CB 3.46Å; Q145-S149 PolarHBondContact O-N 3.37Å; Q145-S149 PolarHBondContact O-OG 3.33Å; F146-S149 PolarHBondContact O-OG 3.29Å; Y147-S149 PolarHBondContact O-N 3.39Å; S149-T153 WeakPolarHBondContact O-CG2 3.34Å; S149-T153 PolarHBondContact O-N 2.86Å; S149-T153 PolarHBondContact O-OG1 3.38Å
150T78.2Confident71.8Confident70 Ų70109.3 Ų109.343%0.42958%0.584SS.*Hα-helixtrans-71.3-42.3169.8-57.40000111.1F146 Y147 A148 E152 T153 E154F146-T150 VanDerWaalsContact O-CB 3.28Å; F146-T150 WeakPolarHBondContact O-CB 3.33Å; F146-T150 PolarHBondContact O-N 3.45Å; F146-T150 PolarHBondContact O-OG1 2.97Å; Y147-T150 PolarHBondContact O-N 2.83Å; A148-T150 VanDerWaalsContact C-N 3.33Å; A148-T150 PolarHBondContact O-N 3.49Å; T150-E152 PolarHBondContact O-N 2.95Å; T150-T153 WeakPolarHBondContact CA-OG1 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact O-OG1 3.28Å; T150-T153 VanDerWaalsContact O-OG1 3.12Å; T150-E154 WeakPolarHBondContact O-CB 3.37Å; T150-E154 PolarHBondContact O-N 3.36Å
151E71.6Confident69.3Low129 Ų129108.7 Ų108.760%0.60360%0.598SS**Hα-helixtrans-63.1-41.8176.5-177.4175.6173.300111.8Y147 A148 T153 N155Y147-E151 PolarHBondContact O-N 2.86Å; A148-E151 PolarHBondContact O-N 3.28Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.91Å; E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 VanDerWaalsContact O-CB 3.27Å; E151-N155 WeakPolarHBondContact O-CB 3.33Å; E151-N155 PolarHBondContact O-N 3.5Å; E151-N155 PolarHBondContact O-ND2 2.82Å
152E60.3Low66.8Low152 Ų152116 Ų11671%0.7162%0.62SS**Hα-helixtrans-62.4-35.4174-72.5-173.8159.300112.7A148 T150 A156A148-E152 PolarHBondContact O-N 3.29Å; T150-E152 PolarHBondContact O-N 2.95Å; E152-A156 PolarHBondContact O-N 3.36Å
153T60.2Low64.3Low82 Ų82120.1 Ų120.150%0.50364%0.64SS.*Hα-helixtrans-84.8-29.1-179.950.60000114S149 T150 E151 A156 Q157S149-T153 WeakPolarHBondContact O-CG2 3.34Å; S149-T153 PolarHBondContact O-N 2.86Å; S149-T153 PolarHBondContact O-OG1 3.38Å; T150-T153 WeakPolarHBondContact CA-OG1 3.43Å; T150-T153 PolarHBondContact O-N 2.86Å; T150-T153 PolarHBondContact O-OG1 3.28Å; T150-T153 VanDerWaalsContact O-OG1 3.12Å; E151-T153 VanDerWaalsContact C-N 3.3Å; E151-T153 PolarHBondContact O-N 2.91Å; T153-A156 PolarHBondContact O-N 3.43Å; T153-Q157 WeakPolarHBondContact O-CG 3.35Å; T153-Q157 PolarHBondContact O-N 3.35Å
154E57.9Low62.3Low140 Ų140124.7 Ų124.765%0.65466%0.656SS**Hα-helixtrans-73.8-39.7172-171.6167.6-162.500111.3T150 A156 Q157 G158T150-E154 WeakPolarHBondContact O-CB 3.37Å; T150-E154 PolarHBondContact O-N 3.36Å; E154-A156 PolarHBondContact O-N 3.01Å; E154-Q157 CarbonylContact O-C 3.57Å; E154-Q157 WeakPolarHBondContact O-CA 3.43Å; E154-Q157 PolarHBondContact O-N 3.27Å; E154-G158 PolarHBondContact O-N 3.46Å
155N53Low60Low115 Ų115130.4 Ų130.462%0.61567%0.67SS**Hα-helixtrans-59.1-31.4170.1-82.4-55.7000112.3E151E151-N155 WeakPolarHBondContact CG-ND2 3.44Å; E151-N155 VanDerWaalsContact O-CB 3.27Å; E151-N155 WeakPolarHBondContact O-CB 3.33Å; E151-N155 PolarHBondContact O-N 3.5Å; E151-N155 PolarHBondContact O-ND2 2.82Å
156A51.8Low57.9Low77 Ų77128.2 Ų128.264%0.63666%0.663SS**Hα-helixtrans-73.5-21.9172.300000113.9E152 T153 E154E152-A156 PolarHBondContact O-N 3.36Å; T153-A156 PolarHBondContact O-N 3.43Å; E154-A156 PolarHBondContact O-N 3.01Å
157Q50Low56Low159 Ų159129.2 Ų129.274%0.74367%0.669SS**Hα-helixtrans-97.3-13179.8-70-17124.300114.7T153 E154 L159T153-Q157 WeakPolarHBondContact O-CG 3.35Å; T153-Q157 PolarHBondContact O-N 3.35Å; E154-Q157 CarbonylContact O-C 3.57Å; E154-Q157 WeakPolarHBondContact O-CA 3.43Å; E154-Q157 PolarHBondContact O-N 3.27Å; Q157-L159 PolarHBondContact O-N 2.9Å
158G45.3Very low54.1Low66 Ų66126.7 Ų126.768%0.6867%0.674SS**  trans-60-2.6179.400000116.7E154E154-G158 PolarHBondContact O-N 3.46Å
159L43.1Very low52.4Low158 Ų158127.7 Ų127.783%0.82768%0.677SS**  trans-105.354-176.1-65.2177.2000113.8Q157Q157-L159 PolarHBondContact O-N 2.9Å
160S33.7Very low51.2Low108 Ų108126.3 Ų126.376%0.75567%0.668SS**SBendtrans-152.3127.2164.8-87.20000114.3
161P44.1Very low50.1Low126 Ų126126.9 Ų126.982%0.81868%0.675SS**  trans-74.7129.9-173.9-20.734.1000116.4I163P161-I163 PolarHBondContact O-N 3.37Å
162R44.7Very low49.3Very low241 Ų241127 Ų12791%0.90968%0.679SS**  trans-51.9106.5167.9179.1-174.9-178.1-173.74.5113.6
163I41.8Very low49.4Very low155 Ų155122.9 Ų122.980%0.79567%0.667SS**  trans-88.1128.9173.6-64.6179.8000111.2P161P161-I163 PolarHBondContact O-N 3.37Å
164K52Low49.4Very low186 Ų186123.6 Ų123.681%0.80967%0.668SS**  trans-84.1133.8176.3-57.7176.2-179.1178.90111.6
165R42.9Very low49.9Very low232 Ų232122.9 Ų122.988%0.87566%0.663SS**  trans-165.2153.9155.9-121.1-179.8-174.190.4-2.3114.2
166N44.5Very low50.8Low92 Ų92121.7 Ų121.749%0.49266%0.659SS.*  trans78.374.2159-16417.3000119.6S168 S169N166-S168 PolarHBondContact O-N 2.76Å; N166-S168 PolarHBondContact OD1-N 2.99Å; N166-S169 WeakPolarHBondContact ND2-CB 3.05Å; N166-S169 PolarHBondContact ND2-OG 3.07Å; N166-S169 PolarHBondContact OD1-N 3.36Å
167E50.6Low52.1Low163 Ų163123.7 Ų123.776%0.76266%0.655SS**THydrogen-bonded Turntrans-84.231.9168.1-61.7-62.8169.900114S170E167-S170 WeakPolarHBondContact CA-OG 3.36Å; E167-S170 PolarHBondContact OE2-OG 3.37Å
168S47.6Very low53.6Low101 Ų101122.5 Ų122.571%0.70665%0.645SS**THydrogen-bonded Turntrans-140.3-7-177.9-570000114.9N166N166-S168 PolarHBondContact O-N 2.76Å; N166-S168 PolarHBondContact OD1-N 2.99Å
169S49.5Very low55.5Low75 Ų75123 Ų12352%0.52463%0.632SS.*SBendtrans-92.1-13.2154.4-54.10000112.3N166 S173N166-S169 WeakPolarHBondContact ND2-CB 3.05Å; N166-S169 PolarHBondContact ND2-OG 3.07Å; N166-S169 PolarHBondContact OD1-N 3.36Å; S169-S173 PolarHBondContact O-OG 3.33Å
170S53.3Low57.8Low26 Ų26122.2 Ų122.218%0.18262%0.622CS.*Hα-helixtrans-67.8-35.2-175.553.10000113.6E167 L172 S173 N174E167-S170 WeakPolarHBondContact CA-OG 3.36Å; E167-S170 PolarHBondContact OE2-OG 3.37Å; S170-L172 PolarHBondContact O-N 2.95Å; S170-S173 WeakPolarHBondContact CA-OG 3.22Å; S170-S173 PolarHBondContact O-N 3.14Å; S170-S173 PolarHBondContact O-OG 2.99Å; S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 2.85Å; S170-N174 PolarHBondContact O-ND2 3.09Å; S170-N174 PolarHBondContact O-OD1 3.47Å
171S54.8Low60.5Low81 Ų81121.9 Ų121.957%0.56661%0.611SS**Hα-helixtrans-61.6-42.5-176.653.70000113.8F175S171-F175 PolarHBondContact O-N 3.26Å
172L55.1Low62.7Low133 Ų133119.9 Ų119.970%0.69659%0.591SS**Hα-helixtrans-78.9-34.1-177.4-157.2148.2000111.8S170 V176S170-L172 PolarHBondContact O-N 2.95Å; L172-V176 WeakPolarHBondContact O-CG2 3.29Å; L172-V176 PolarHBondContact O-N 3.11Å
173S60.8Low65.1Low65 Ų65114.2 Ų114.246%0.45558%0.575SS.*Hα-helixtrans-69.4-36.1169.557.30000112.5S169 S170 F175 V176 H177S169-S173 PolarHBondContact O-OG 3.33Å; S170-S173 WeakPolarHBondContact CA-OG 3.22Å; S170-S173 PolarHBondContact O-N 3.14Å; S170-S173 PolarHBondContact O-OG 2.99Å; S173-F175 VanDerWaalsContact C-N 3.34Å; S173-V176 PolarHBondContact O-N 3.02Å; S173-H177 VanDerWaalsContact O-CB 3.23Å; S173-H177 WeakPolarHBondContact O-CB 3.49Å; S173-H177 PolarHBondContact O-N 2.93Å
174N62Low67.6Low97 Ų97110.7 Ų110.752%0.51955%0.553SS.*Hα-helixtrans-65.9-36.7175.9-72.6-8.6000111.4S170 H177 Y178S170-N174 WeakPolarHBondContact O-CB 3.44Å; S170-N174 PolarHBondContact O-N 2.85Å; S170-N174 PolarHBondContact O-ND2 3.09Å; S170-N174 PolarHBondContact O-OD1 3.47Å; N174-H177 PolarHBondContact O-N 3.38Å; N174-Y178 VanDerWaalsContact O-CB 3.24Å; N174-Y178 WeakPolarHBondContact O-CB 3.22Å; N174-Y178 PolarHBondContact O-N 3.28Å
175F67.4Low69.7Low125 Ų125105.8 Ų105.855%0.54854%0.536SS..Hα-helixtrans-64-50.3173.8-174.2-98.4000111.6S171 S173 H177 Y178 D179S171-F175 PolarHBondContact O-N 3.26Å; S173-F175 VanDerWaalsContact C-N 3.34Å; F175-H177 VanDerWaalsContact C-N 3.28Å; F175-H177 PolarHBondContact O-N 2.95Å; F175-Y178 WeakPolarHBondContact O-CB 3.39Å; F175-Y178 PolarHBondContact O-N 2.91Å; F175-Y178 VanDerWaalsContact O-N 3.12Å; F175-D179 WeakPolarHBondContact CE1-OD2 3.36Å; F175-D179 PolarHBondContact O-N 3.3Å
176V72.4Confident72.2Confident89 Ų89101.3 Ų101.354%0.53952%0.523SS..Hα-helixtrans-62.1-35.3176.2174.50000112.2L172 S173 F180L172-V176 WeakPolarHBondContact O-CG2 3.29Å; L172-V176 PolarHBondContact O-N 3.11Å; S173-V176 PolarHBondContact O-N 3.02Å; V176-F180 WeakPolarHBondContact O-CB 3.5Å; V176-F180 PolarHBondContact O-N 3.42Å
177H77.9Confident74.7Confident120 Ų12098.4 Ų98.456%0.55651%0.509SS*.Hα-helixtrans-68.6-38.1174.3-177.164.5000112.4S173 N174 F175 F180 L181S173-H177 VanDerWaalsContact O-CB 3.23Å; S173-H177 WeakPolarHBondContact O-CB 3.49Å; S173-H177 PolarHBondContact O-N 2.93Å; N174-H177 PolarHBondContact O-N 3.38Å; F175-H177 VanDerWaalsContact C-N 3.28Å; F175-H177 PolarHBondContact O-N 2.95Å; H177-F180 PolarHBondContact O-N 3.15Å; H177-L181 VanDerWaalsContact O-CB 3.29Å; H177-L181 WeakPolarHBondContact O-CB 3.33Å; H177-L181 PolarHBondContact O-N 3.19Å
178Y81.3Confident76.8Confident133 Ų13394.8 Ų94.852%0.52250%0.495SS..Hα-helixtrans-68.3-42.4175.5-174.6-103.4000111.8N174 F175 L181 H182N174-Y178 VanDerWaalsContact O-CB 3.24Å; N174-Y178 WeakPolarHBondContact O-CB 3.22Å; N174-Y178 PolarHBondContact O-N 3.28Å; F175-Y178 WeakPolarHBondContact O-CB 3.39Å; F175-Y178 PolarHBondContact O-N 2.91Å; F175-Y178 VanDerWaalsContact O-N 3.12Å; Y178-L181 PolarHBondContact O-N 2.83Å; Y178-H182 AromaticContact CD1-CD2 3.71Å; Y178-H182 AromaticContact CE1-CD2 3.39Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.34Å; Y178-H182 AromaticContact CE1-NE2 3.43Å; Y178-H182 WeakPolarHBondContact CE1-NE2 3.41Å; Y178-H182 AromaticContact CE2-CD2 3.86Å; Y178-H182 AromaticContact CE2-NE2 3.62Å; Y178-H182 AromaticContact CZ-CD2 3.48Å; Y178-H182 VanDerWaalsContact CZ-CD2 3.48Å; Y178-H182 AromaticContact CZ-NE2 3.09Å; Y178-H182 WeakPolarHBondContact O-CB 3.47Å; Y178-H182 PolarHBondContact O-CD2 3.47Å; Y178-H182 PolarHBondContact O-N 3.49Å; Y178-H182 PolarHBondContact OH-NE2 3.35Å
179D85.4Confident79.2Confident77 Ų7795.5 Ų95.541%0.41249%0.487SS..Hα-helixtrans-62.2-43.6173.1-75.9-10.3000111.6F175 H182 Q183F175-D179 WeakPolarHBondContact CE1-OD2 3.36Å; F175-D179 PolarHBondContact O-N 3.3Å; D179-H182 PolarHBondContact O-N 2.91Å; D179-Q183 WeakPolarHBondContact O-CB 3.2Å; D179-Q183 PolarHBondContact O-N 2.77Å
180F91.4Very high81.4Confident141 Ų14196.8 Ų96.862%0.61849%0.485SS*.Hα-helixtrans-62.2-43.1174.1177.2-95.9000111.9V176 H177 Q183 K184V176-F180 WeakPolarHBondContact O-CB 3.5Å; V176-F180 PolarHBondContact O-N 3.42Å; H177-F180 PolarHBondContact O-N 3.15Å; F180-Q183 PolarHBondContact O-N 3.4Å; F180-K184 PolarHBondContact O-N 3.14Å
181L91Very high83.5Confident101 Ų10199.6 Ų99.653%0.52950%0.495SS..Hα-helixtrans-65.1-40.1177.4-176.561.3000111.7H177 Y178 K184 L185H177-L181 VanDerWaalsContact O-CB 3.29Å; H177-L181 WeakPolarHBondContact O-CB 3.33Å; H177-L181 PolarHBondContact O-N 3.19Å; Y178-L181 PolarHBondContact O-N 2.83Å; L181-K184 PolarHBondContact O-N 2.87Å; L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 PolarHBondContact O-N 3.33Å
182H91.1Very high85.5Confident85 Ų8599.1 Ų99.139%0.39449%0.486SS..Hα-helixtrans-64.7-43.3172.5-94.7-75.7000112.4Y178 D179 K184 L185 K186Y178-H182 AromaticContact CD1-CD2 3.71Å; Y178-H182 AromaticContact CE1-CD2 3.39Å; Y178-H182 WeakPolarHBondContact CE1-CD2 3.34Å; Y178-H182 AromaticContact CE1-NE2 3.43Å; Y178-H182 WeakPolarHBondContact CE1-NE2 3.41Å; Y178-H182 AromaticContact CE2-CD2 3.86Å; Y178-H182 AromaticContact CE2-NE2 3.62Å; Y178-H182 AromaticContact CZ-CD2 3.48Å; Y178-H182 VanDerWaalsContact CZ-CD2 3.48Å; Y178-H182 AromaticContact CZ-NE2 3.09Å; Y178-H182 WeakPolarHBondContact O-CB 3.47Å; Y178-H182 PolarHBondContact O-CD2 3.47Å; Y178-H182 PolarHBondContact O-N 3.49Å; Y178-H182 PolarHBondContact OH-NE2 3.35Å; D179-H182 PolarHBondContact O-N 2.91Å; H182-K184 VanDerWaalsContact C-N 3.31Å; H182-K184 PolarHBondContact O-N 2.72Å; H182-L185 PolarHBondContact O-N 3.12Å; H182-K186 VanDerWaalsContact O-CB 3.31Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 3.39Å
183Q93.4Very high87.5Confident122 Ų12298.5 Ų98.557%0.5748%0.475SS*.Hα-helixtrans-66.1-34.5177.2-176.855.445.100111.7D179 F180 S187D179-Q183 WeakPolarHBondContact O-CB 3.2Å; D179-Q183 PolarHBondContact O-N 2.77Å; F180-Q183 PolarHBondContact O-N 3.4Å; Q183-S187 PolarHBondContact O-N 3.37Å
184K95.3Very high89.2Confident80 Ų80101 Ų10135%0.34848%0.478SS..Hα-helixtrans-76.1-36.8173.7-17555.1-170154.60112.7F180 L181 H182 S187 L188 E191F180-K184 PolarHBondContact O-N 3.14Å; L181-K184 PolarHBondContact O-N 2.87Å; H182-K184 VanDerWaalsContact C-N 3.31Å; H182-K184 PolarHBondContact O-N 2.72Å; K184-S187 PolarHBondContact NZ-OG 2.89Å; K184-S187 PolarHBondContact O-N 2.94Å; K184-L188 HydrophobicContact CD-CD1 4.37Å; K184-L188 HydrophobicContact CD-CG 4.22Å; K184-L188 HydrophobicContact CG-CD1 4.1Å; K184-L188 HydrophobicContact CG-CG 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.26Å; K184-L188 PolarHBondContact O-N 3.48Å; K184-E191 IonicContact NZ-OE1 3.16Å; K184-E191 PolarHBondContact NZ-OE1 3.4Å; K184-E191 IonicContact NZ-OE2 3.92Å; K184-E191 PolarHBondContact NZ-OE2 2.76Å
185L95.1Very high90.9Very high84 Ų84101.3 Ų101.344%0.4448%0.478SS..Hα-helixtrans-55.8-52.6170.3-177.377.8000109.7L181 H182 S187 L188 E189L181-L185 VanDerWaalsContact O-CB 3.3Å; L181-L185 WeakPolarHBondContact O-CB 3.17Å; L181-L185 PolarHBondContact O-N 3.33Å; H182-L185 PolarHBondContact O-N 3.12Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.83Å; L185-L188 CarbonylContact O-C 3.59Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 2.9Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L185-E189 HydrophobicContact CG-CG 4.49Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.29Å
186K96.5Very high92.4Very high137 Ų137103.6 Ų103.660%0.59648%0.483SS*.Hα-helixtrans-61.9-34.4178.7-174175.7179.5-178.90113.4H182 E190H182-K186 VanDerWaalsContact O-CB 3.31Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 3.39Å; K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 PolarHBondContact O-N 2.87Å; K186-E190 VanDerWaalsContact O-N 3.11Å
187S96.1Very high93.6Very high31 Ų31103.8 Ų103.822%0.21748%0.481CS..Hα-helixtrans-68.2-42.7172.5112.70000111.2Q183 K184 L185 E190 E191Q183-S187 PolarHBondContact O-N 3.37Å; K184-S187 PolarHBondContact NZ-OG 2.89Å; K184-S187 PolarHBondContact O-N 2.94Å; L185-S187 VanDerWaalsContact C-N 3.32Å; L185-S187 PolarHBondContact O-N 2.83Å; S187-E190 PolarHBondContact O-N 3.44Å; S187-E191 WeakPolarHBondContact CB-OE1 3.41Å; S187-E191 VanDerWaalsContact O-CB 3.29Å; S187-E191 WeakPolarHBondContact O-CB 3.32Å; S187-E191 VanDerWaalsContact O-CD 3.29Å; S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 2.95Å; S187-E191 PolarHBondContact OG-OE1 3.43Å
188L96.1Very high94.5Very high88 Ų88101.6 Ų101.646%0.46147%0.471SS..Hα-helixtrans-67-34.9176.6-70.4167000112.4K184 L185 N192K184-L188 HydrophobicContact CD-CD1 4.37Å; K184-L188 HydrophobicContact CD-CG 4.22Å; K184-L188 HydrophobicContact CG-CD1 4.1Å; K184-L188 HydrophobicContact CG-CG 4.45Å; K184-L188 WeakPolarHBondContact O-CB 3.48Å; K184-L188 VanDerWaalsContact O-CG 3.3Å; K184-L188 WeakPolarHBondContact O-CG 3.26Å; K184-L188 PolarHBondContact O-N 3.48Å; L185-L188 CarbonylContact O-C 3.59Å; L185-L188 WeakPolarHBondContact O-CB 3.46Å; L185-L188 PolarHBondContact O-N 2.9Å; L185-L188 VanDerWaalsContact O-N 3.08Å; L188-N192 WeakPolarHBondContact O-CB 3.48Å; L188-N192 PolarHBondContact O-N 2.85Å
189E96.5Very high95.3Very high116 Ų11698 Ų9854%0.54247%0.469SS..Hα-helixtrans-63.5-45.1172.5-74172.4164.400111.3L185 N192 R193L185-E189 HydrophobicContact CG-CG 4.49Å; L185-E189 WeakPolarHBondContact O-CG 3.49Å; L185-E189 PolarHBondContact O-N 3.29Å; E189-N192 PolarHBondContact O-N 2.95Å; E189-R193 VanDerWaalsContact O-CB 3.3Å; E189-R193 WeakPolarHBondContact O-CB 3.42Å; E189-R193 PolarHBondContact O-N 3.33Å
190E97.2Very high95.8Very high101 Ų10198.4 Ų98.447%0.47247%0.474SS..Hα-helixtrans-69.5-40.4177.2-179.464.9179.200112.3K186 S187 R193 K194K186-E190 WeakPolarHBondContact O-CB 3.43Å; K186-E190 PolarHBondContact O-N 2.87Å; K186-E190 VanDerWaalsContact O-N 3.11Å; S187-E190 PolarHBondContact O-N 3.44Å; E190-R193 VanDerWaalsContact CD-NH2 3.28Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-CZ 3.85Å; E190-R193 IonicContact OE1-NE 3.64Å; E190-R193 IonicContact OE1-NH2 3.37Å; E190-R193 PolarHBondContact OE1-NH2 2.87Å; E190-R193 IonicContact OE2-CZ 3.5Å; E190-R193 IonicContact OE2-NE 3.62Å; E190-R193 PolarHBondContact OE2-NE 3.09Å; E190-R193 IonicContact OE2-NH2 3.43Å; E190-R193 PolarHBondContact OE2-NH2 2.66Å; E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.82Å
191E96.9Very high96.1Very high85 Ų8598 Ų9840%0.39747%0.474SS..Hα-helixtrans-60.9-44.9171.6-73.5156.6-140.900110.5K184 S187 K194 L195K184-E191 IonicContact NZ-OE1 3.16Å; K184-E191 PolarHBondContact NZ-OE1 3.4Å; K184-E191 IonicContact NZ-OE2 3.92Å; K184-E191 PolarHBondContact NZ-OE2 2.76Å; S187-E191 WeakPolarHBondContact CB-OE1 3.41Å; S187-E191 VanDerWaalsContact O-CB 3.29Å; S187-E191 WeakPolarHBondContact O-CB 3.32Å; S187-E191 VanDerWaalsContact O-CD 3.29Å; S187-E191 WeakPolarHBondContact O-CG 3.37Å; S187-E191 PolarHBondContact O-N 2.95Å; S187-E191 PolarHBondContact OG-OE1 3.43Å; E191-K194 PolarHBondContact O-N 3.36Å; E191-L195 WeakPolarHBondContact O-CB 3.31Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.24Å; E191-L195 PolarHBondContact O-N 2.77Å
192N95.8Very high96.4Very high72 Ų7297.8 Ų97.839%0.38547%0.473SS..Hα-helixtrans-68.5-35.2177.1-159.6-100.7000112L188 E189 R196L188-N192 WeakPolarHBondContact O-CB 3.48Å; L188-N192 PolarHBondContact O-N 2.85Å; E189-N192 PolarHBondContact O-N 2.95Å; N192-R196 WeakPolarHBondContact O-CB 3.4Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.27Å; N192-R196 PolarHBondContact O-N 3.19Å; N192-R196 PolarHBondContact OD1-NE 3.45Å; N192-R196 PolarHBondContact OD1-NH2 3.18Å
193R97.4Very high96.7Very high119 Ų11997.1 Ų97.145%0.44948%0.478SS..Hα-helixtrans-64.7-42172-169-168.968.472.6-0111.4E189 E190 L197E189-R193 VanDerWaalsContact O-CB 3.3Å; E189-R193 WeakPolarHBondContact O-CB 3.42Å; E189-R193 PolarHBondContact O-N 3.33Å; E190-R193 VanDerWaalsContact CD-NH2 3.28Å; E190-R193 PolarHBondContact O-N 3Å; E190-R193 IonicContact OE1-CZ 3.85Å; E190-R193 IonicContact OE1-NE 3.64Å; E190-R193 IonicContact OE1-NH2 3.37Å; E190-R193 PolarHBondContact OE1-NH2 2.87Å; E190-R193 IonicContact OE2-CZ 3.5Å; E190-R193 IonicContact OE2-NE 3.62Å; E190-R193 PolarHBondContact OE2-NE 3.09Å; E190-R193 IonicContact OE2-NH2 3.43Å; E190-R193 PolarHBondContact OE2-NH2 2.66Å; R193-L197 VanDerWaalsContact NH1-CD1 3.25Å; R193-L197 PolarHBondContact O-N 2.85Å; R193-L197 VanDerWaalsContact O-N 3.12Å
194K97.9Very high96.9Very high119 Ų11995.7 Ų95.752%0.51748%0.478SS..Hα-helixtrans-62-52.3173.7-175.3-171.4177.6-88.70110.7E190 E191 R196 L197 E198E190-K194 WeakPolarHBondContact O-CB 3.49Å; E190-K194 PolarHBondContact O-N 2.82Å; E191-K194 PolarHBondContact O-N 3.36Å; K194-R196 PolarHBondContact O-N 3.13Å; K194-L197 WeakPolarHBondContact O-CA 3.48Å; K194-L197 WeakPolarHBondContact O-CB 3.27Å; K194-L197 PolarHBondContact O-N 3.44Å; K194-E198 IonicContact NZ-OE1 2.75Å; K194-E198 IonicContact NZ-OE2 2.7Å; K194-E198 PolarHBondContact NZ-OE2 2.77Å; K194-E198 WeakPolarHBondContact O-CB 3.45Å; K194-E198 PolarHBondContact O-N 3.11Å
195L97.7Very high96.9Very high102 Ų10295.6 Ų95.653%0.53448%0.478SS..Hα-helixtrans-59.8-33.8-179.6-71.7169.4000112.6E191 A199E191-L195 WeakPolarHBondContact O-CB 3.31Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.24Å; E191-L195 PolarHBondContact O-N 2.77Å; L195-A199 VanDerWaalsContact O-CB 3.23Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.39Å
196R97.9Very high96.9Very high174 Ų17495 Ų9566%0.65748%0.478SS*.Hα-helixtrans-68-40.8172-73.7175.4-161.7-164.74.8112.8N192 K194 T200N192-R196 WeakPolarHBondContact O-CB 3.4Å; N192-R196 VanDerWaalsContact O-CG 3.26Å; N192-R196 WeakPolarHBondContact O-CG 3.27Å; N192-R196 PolarHBondContact O-N 3.19Å; N192-R196 PolarHBondContact OD1-NE 3.45Å; N192-R196 PolarHBondContact OD1-NH2 3.18Å; K194-R196 PolarHBondContact O-N 3.13Å; R196-T200 WeakPolarHBondContact O-CG2 3.27Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.19Å
197L97.6Very high96.8Very high93 Ų9391.5 Ų91.549%0.48747%0.469SS..Hα-helixtrans-64.2-47.2174.6-74176.4000111.1R193 K194 A199 T200 E201R193-L197 VanDerWaalsContact NH1-CD1 3.25Å; R193-L197 PolarHBondContact O-N 2.85Å; R193-L197 VanDerWaalsContact O-N 3.12Å; K194-L197 WeakPolarHBondContact O-CA 3.48Å; K194-L197 WeakPolarHBondContact O-CB 3.27Å; K194-L197 PolarHBondContact O-N 3.44Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.27Å; L197-T200 WeakPolarHBondContact CA-OG1 3.37Å; L197-T200 CarbonylContact O-C 3.55Å; L197-T200 PolarHBondContact O-N 2.81Å; L197-T200 VanDerWaalsContact O-N 3.09Å; L197-T200 PolarHBondContact O-OG1 3.32Å; L197-E201 VanDerWaalsContact O-CB 3.31Å; L197-E201 WeakPolarHBondContact O-CB 3.37Å; L197-E201 PolarHBondContact O-N 3.06Å
198E97.5Very high96.8Very high73 Ų7393 Ų9334%0.34147%0.474SS..Hα-helixtrans-59.4-42.2177.3-168.4167.3169.300111.4K194 E201 L202K194-E198 IonicContact NZ-OE1 2.75Å; K194-E198 IonicContact NZ-OE2 2.7Å; K194-E198 PolarHBondContact NZ-OE2 2.77Å; K194-E198 WeakPolarHBondContact O-CB 3.45Å; K194-E198 PolarHBondContact O-N 3.11Å; E198-E201 PolarHBondContact O-N 2.89Å; E198-L202 HydrophobicContact CG-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CB 3.17Å; E198-L202 VanDerWaalsContact O-CG 3.27Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 2.9Å
199A96.8Very high96.6Very high58 Ų5894 Ų9448%0.47947%0.473SS..Hα-helixtrans-65.2-38.1172.600000113.2L195 L197 S203L195-A199 VanDerWaalsContact O-CB 3.23Å; L195-A199 WeakPolarHBondContact O-CB 3.4Å; L195-A199 PolarHBondContact O-N 3.39Å; L197-A199 VanDerWaalsContact C-N 3.34Å; L197-A199 PolarHBondContact O-N 3.27Å; A199-S203 WeakPolarHBondContact O-CB 3.12Å; A199-S203 PolarHBondContact O-N 3.25Å
200T96.8Very high96.5Very high85 Ų8593.2 Ų93.252%0.52147%0.469SS..Hα-helixtrans-71.7-34.817451.10000113R196 L197 S203 T204R196-T200 WeakPolarHBondContact O-CG2 3.27Å; R196-T200 PolarHBondContact O-N 2.86Å; R196-T200 PolarHBondContact O-OG1 3.19Å; L197-T200 WeakPolarHBondContact CA-OG1 3.37Å; L197-T200 CarbonylContact O-C 3.55Å; L197-T200 PolarHBondContact O-N 2.81Å; L197-T200 VanDerWaalsContact O-N 3.09Å; L197-T200 PolarHBondContact O-OG1 3.32Å; T200-S203 PolarHBondContact O-N 3.41Å; T200-T204 WeakPolarHBondContact O-CG2 3.48Å; T200-T204 PolarHBondContact O-N 2.92Å; T200-T204 PolarHBondContact O-OG1 3.28Å
201E97.6Very high96.4Very high132 Ų13294.2 Ų94.262%0.61747%0.474SS*.Hα-helixtrans-66.3-52.1178-176.8167.1-156.800110.1L197 E198 S203 T204 E205L197-E201 VanDerWaalsContact O-CB 3.31Å; L197-E201 WeakPolarHBondContact O-CB 3.37Å; L197-E201 PolarHBondContact O-N 3.06Å; E198-E201 PolarHBondContact O-N 2.89Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 2.97Å; E201-T204 PolarHBondContact O-N 3.45Å; E201-T204 VanDerWaalsContact O-N 3.14Å; E201-T204 PolarHBondContact O-OG1 3.3Å; E201-E205 PolarHBondContact O-N 3.25Å
202L97Very high96Very high97 Ų9792.7 Ų92.751%0.50847%0.467SS..Hα-helixtrans-55.8-45.4171.1-70.9169.1000111.6E198 T204 E205 T206E198-L202 HydrophobicContact CG-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CB 3.17Å; E198-L202 VanDerWaalsContact O-CG 3.27Å; E198-L202 WeakPolarHBondContact O-CG 3.44Å; E198-L202 PolarHBondContact O-N 2.9Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 2.78Å; L202-E205 PolarHBondContact O-N 3.32Å; L202-E205 VanDerWaalsContact O-N 3.13Å; L202-T206 PolarHBondContact O-N 2.89Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L202-T206 VanDerWaalsContact O-OG1 3.1Å
203S97.6Very high95.7Very high72 Ų7295.3 Ų95.350%0.50348%0.477SS..Hα-helixtrans-59.8-40177.7-174.40000112.5A199 T200 E201 T207A199-S203 WeakPolarHBondContact O-CB 3.12Å; A199-S203 PolarHBondContact O-N 3.25Å; T200-S203 PolarHBondContact O-N 3.41Å; E201-S203 VanDerWaalsContact C-N 3.32Å; E201-S203 PolarHBondContact O-N 2.97Å; S203-T207 PolarHBondContact O-N 3.34Å; S203-T207 PolarHBondContact O-OG1 3.32Å
204T96.6Very high95.5Very high91 Ų9195.6 Ų95.656%0.55848%0.483SS*.Hα-helixtrans-72.7-32174.751.40000113.4T200 E201 L202 T207 N208T200-T204 WeakPolarHBondContact O-CG2 3.48Å; T200-T204 PolarHBondContact O-N 2.92Å; T200-T204 PolarHBondContact O-OG1 3.28Å; E201-T204 PolarHBondContact O-N 3.45Å; E201-T204 VanDerWaalsContact O-N 3.14Å; E201-T204 PolarHBondContact O-OG1 3.3Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 2.78Å; T204-T207 WeakPolarHBondContact CA-OG1 3.41Å; T204-T207 PolarHBondContact O-OG1 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.38Å; T204-N208 PolarHBondContact O-N 3.1Å; T204-N208 VanDerWaalsContact O-N 3.09Å
205E95.8Very high95.2Very high78 Ų7895 Ų9536%0.36448%0.482SS..Hα-helixtrans-69-43.5175.9-149.5-166.1161.300110.6E201 L202 N208 Y209 R787E201-E205 PolarHBondContact O-N 3.25Å; L202-E205 PolarHBondContact O-N 3.32Å; L202-E205 VanDerWaalsContact O-N 3.13Å; E205-N208 WeakPolarHBondContact O-CB 3.39Å; E205-N208 PolarHBondContact O-N 3.09Å; E205-N208 VanDerWaalsContact O-N 3.12Å; E205-Y209 HydrophobicContact CB-CE2 4.41Å; E205-Y209 HydrophobicContact CG-CD2 4.18Å; E205-Y209 HydrophobicContact CG-CE2 3.58Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 PolarHBondContact O-N 2.98Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CZ 3.24Å; E205-Y209 PolarHBondContact OE1-OH 3.38Å; E205-R787 IonicContact OE1-NH2 2.69Å
206T95.1Very high94.9Very high72 Ų7292 Ų9244%0.44247%0.466SS..Hα-helixtrans-55-53173.1-61.80000111.4L202 N208 Y209 E210L202-T206 PolarHBondContact O-N 2.89Å; L202-T206 PolarHBondContact O-OG1 3.44Å; L202-T206 VanDerWaalsContact O-OG1 3.1Å; T206-N208 PolarHBondContact O-N 2.83Å; T206-Y209 PolarHBondContact O-N 3.28Å; T206-Y209 VanDerWaalsContact O-N 3.09Å; T206-E210 HydrophobicContact CG2-CG 4.45Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E210 WeakPolarHBondContact O-CG 3.23Å; T206-E210 PolarHBondContact O-N 3.48Å
207T95.6Very high94.6Very high63 Ų6388.9 Ų88.939%0.38746%0.46SS..Hα-helixtrans-60.6-33.1177.750.50000112.4S203 T204 E210 E211S203-T207 PolarHBondContact O-N 3.34Å; S203-T207 PolarHBondContact O-OG1 3.32Å; T204-T207 WeakPolarHBondContact CA-OG1 3.41Å; T204-T207 PolarHBondContact O-OG1 3.29Å; T207-E210 PolarHBondContact O-N 3.49Å; T207-E211 WeakPolarHBondContact O-CG 3.32Å; T207-E211 PolarHBondContact O-N 2.83Å
208N95.6Very high94.4Very high63 Ų6390 Ų9034%0.33746%0.464SS..Hα-helixtrans-74.1-27.9177.9-171.4-113.6000113.3T204 E205 T206 Q212T204-N208 WeakPolarHBondContact O-CB 3.38Å; T204-N208 PolarHBondContact O-N 3.1Å; T204-N208 VanDerWaalsContact O-N 3.09Å; E205-N208 WeakPolarHBondContact O-CB 3.39Å; E205-N208 PolarHBondContact O-N 3.09Å; E205-N208 VanDerWaalsContact O-N 3.12Å; T206-N208 PolarHBondContact O-N 2.83Å; N208-Q212 WeakPolarHBondContact O-CG 3.43Å; N208-Q212 PolarHBondContact O-N 3.01Å; N208-Q212 PolarHBondContact O-NE2 2.88Å; N208-Q212 PolarHBondContact OD1-NE2 2.76Å
209Y92.3Very high94.2Very high110 Ų11086.9 Ų86.943%0.43145%0.45SS..Hα-helixtrans-72.8-43.8168.1-73-63.9000111.4E205 T206 E211 Q212 E213 R787E205-Y209 HydrophobicContact CB-CE2 4.41Å; E205-Y209 HydrophobicContact CG-CD2 4.18Å; E205-Y209 HydrophobicContact CG-CE2 3.58Å; E205-Y209 WeakPolarHBondContact O-CD2 3.44Å; E205-Y209 PolarHBondContact O-N 2.98Å; E205-Y209 WeakPolarHBondContact OE1-CE2 3.47Å; E205-Y209 VanDerWaalsContact OE1-CZ 3.24Å; E205-Y209 PolarHBondContact OE1-OH 3.38Å; T206-Y209 PolarHBondContact O-N 3.28Å; T206-Y209 VanDerWaalsContact O-N 3.09Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-E211 PolarHBondContact O-N 3.15Å; Y209-Q212 PolarHBondContact O-N 2.73Å; Y209-Q212 VanDerWaalsContact O-N 3.14Å; Y209-E213 PolarHBondContact O-N 2.82Å; Y209-R787 PolarHBondContact OH-NH2 3.47Å
210E93.8Very high93.9Very high98 Ų9885.6 Ų85.646%0.45844%0.437SS..Hα-helixtrans-59.6-42177.9-70.8171.5175.500111.9T206 T207 E213 Q214T206-E210 HydrophobicContact CG2-CG 4.45Å; T206-E210 WeakPolarHBondContact CG2-OE1 3.44Å; T206-E210 WeakPolarHBondContact O-CG 3.23Å; T206-E210 PolarHBondContact O-N 3.48Å; T207-E210 PolarHBondContact O-N 3.49Å; E210-E213 PolarHBondContact O-N 3.05Å; E210-Q214 WeakPolarHBondContact O-CB 3.33Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.49Å; E210-Q214 PolarHBondContact O-N 3.18Å; E210-Q214 PolarHBondContact O-NE2 3.15Å
211E94.5Very high93.9Very high122 Ų12285.6 Ų85.657%0.5744%0.437SS*.Hα-helixtrans-62.1-42.7173.3-75.3174.4165.800112.2T207 Y209 Q214 E215T207-E211 WeakPolarHBondContact O-CG 3.32Å; T207-E211 PolarHBondContact O-N 2.83Å; Y209-E211 VanDerWaalsContact C-N 3.34Å; Y209-E211 PolarHBondContact O-N 3.15Å; E211-Q214 PolarHBondContact O-N 2.71Å; E211-E215 PolarHBondContact O-N 2.85Å
212Q90.2Very high93.7Very high54 Ų5483.4 Ų83.425%0.25243%0.427SS..Hα-helixtrans-67.6-38.3177.6-78.7170.169.500112.7N208 Y209 E215 L216N208-Q212 WeakPolarHBondContact O-CG 3.43Å; N208-Q212 PolarHBondContact O-N 3.01Å; N208-Q212 PolarHBondContact O-NE2 2.88Å; N208-Q212 PolarHBondContact OD1-NE2 2.76Å; Y209-Q212 PolarHBondContact O-N 2.73Å; Y209-Q212 VanDerWaalsContact O-N 3.14Å; Q212-E215 PolarHBondContact O-N 3.03Å; Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 2.75Å
213E88.6Confident93.5Very high127 Ų12779.9 Ų79.959%0.59341%0.408SS*.Hα-helixtrans-67.4-39.2175.7-171.9176.7167.600111.1Y209 E210 L216 M217Y209-E213 PolarHBondContact O-N 2.82Å; E210-E213 PolarHBondContact O-N 3.05Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-M217 VanDerWaalsContact O-CB 3.29Å; E213-M217 WeakPolarHBondContact O-CB 3.37Å; E213-M217 PolarHBondContact O-N 2.71Å
214Q93.8Very high93.2Very high124 Ų12481 Ų8158%0.57941%0.408SS*.Hα-helixtrans-63.9-44.1174.1-73.7170.15100112.2E210 E211 M217 M218E210-Q214 WeakPolarHBondContact O-CB 3.33Å; E210-Q214 VanDerWaalsContact O-CG 3.24Å; E210-Q214 WeakPolarHBondContact O-CG 3.49Å; E210-Q214 PolarHBondContact O-N 3.18Å; E210-Q214 PolarHBondContact O-NE2 3.15Å; E211-Q214 PolarHBondContact O-N 2.71Å; Q214-M217 PolarHBondContact O-N 3.15Å; Q214-M218 WeakPolarHBondContact O-CG 3.36Å; Q214-M218 PolarHBondContact O-N 3.32Å
215E92.3Very high93.1Very high108 Ų10879.9 Ų79.951%0.50540%0.404SS..Hα-helixtrans-63.8-43.1175.8-171.1172.2-176.800111.5E211 Q212 M217 M218 V219 W782E211-E215 PolarHBondContact O-N 2.85Å; Q212-E215 PolarHBondContact O-N 3.03Å; E215-M217 PolarHBondContact O-N 3.01Å; E215-M218 WeakPolarHBondContact O-CB 3.29Å; E215-M218 PolarHBondContact O-N 3.44Å; E215-V219 WeakPolarHBondContact O-CG2 3.4Å; E215-V219 PolarHBondContact O-N 3.42Å; E215-W782 HydrophobicContact CB-CH2 4.35Å; E215-W782 VanDerWaalsContact CD-CZ2 3.47Å; E215-W782 HydrophobicContact CG-CH2 3.85Å; E215-W782 HydrophobicContact CG-CZ2 3.89Å; E215-W782 WeakPolarHBondContact OE1-CZ2 3.33Å; E215-W782 WeakPolarHBondContact OE2-CH2 3.41Å
216L89.9Confident93.1Very high38 Ų3879.2 Ų79.220%0.19941%0.408CS..Hα-helixtrans-60-44.7174.3-177.471.7000111.9Q212 E213 M218 V219 C220 F763 V779 W782Q212-L216 WeakPolarHBondContact O-CB 3.43Å; Q212-L216 PolarHBondContact O-N 2.75Å; E213-L216 PolarHBondContact O-N 2.9Å; L216-M218 VanDerWaalsContact C-N 3.34Å; L216-M218 PolarHBondContact O-N 3.36Å; L216-V219 PolarHBondContact O-N 2.93Å; L216-C220 PolarHBondContact O-N 2.89Å; L216-C220 PolarHBondContact O-SG 2.79Å; L216-F763 HydrophobicContact CD1-CZ 4.19Å; L216-F763 HydrophobicContact CD2-CE1 4.46Å; L216-F763 HydrophobicContact CD2-CZ 3.87Å; L216-V779 HydrophobicContact CD1-CG1 3.91Å; L216-W782 HydrophobicContact CD1-CB 4Å; L216-W782 HydrophobicContact CD1-CG 4.47Å
217M92.3Very high93Very high108 Ų10877.6 Ų77.653%0.53240%0.402SS..Hα-helixtrans-63.4-39.3177.9-171.4-177.3-61.100111.7E213 Q214 E215 C220 V221E213-M217 VanDerWaalsContact O-CB 3.29Å; E213-M217 WeakPolarHBondContact O-CB 3.37Å; E213-M217 PolarHBondContact O-N 2.71Å; Q214-M217 PolarHBondContact O-N 3.15Å; E215-M217 PolarHBondContact O-N 3.01Å; M217-C220 WeakPolarHBondContact O-CB 3.39Å; M217-C220 PolarHBondContact O-N 3.5Å; M217-V221 WeakPolarHBondContact O-CG2 3.43Å; M217-V221 PolarHBondContact O-N 3.05Å
218M93.2Very high93Very high116 Ų11679.6 Ų79.657%0.57141%0.41SS*.Hα-helixtrans-61.5-44.1172.4-74.3-64.9-62.300111.5Q214 E215 L216 C220 V221 E222Q214-M218 WeakPolarHBondContact O-CG 3.36Å; Q214-M218 PolarHBondContact O-N 3.32Å; E215-M218 WeakPolarHBondContact O-CB 3.29Å; E215-M218 PolarHBondContact O-N 3.44Å; L216-M218 VanDerWaalsContact C-N 3.34Å; L216-M218 PolarHBondContact O-N 3.36Å; M218-C220 VanDerWaalsContact C-N 3.35Å; M218-C220 PolarHBondContact O-N 2.89Å; M218-V221 PolarHBondContact O-N 2.9Å; M218-E222 WeakPolarHBondContact O-CG 3.31Å; M218-E222 PolarHBondContact O-N 2.65Å
219V93.3Very high93Very high8 Ų882.6 Ų82.65%0.04842%0.42CS..Hα-helixtrans-62.1-40.2175175.10000111.6E215 L216 E222 E223 R778 V779E215-V219 WeakPolarHBondContact O-CG2 3.4Å; E215-V219 PolarHBondContact O-N 3.42Å; L216-V219 PolarHBondContact O-N 2.93Å; V219-E222 PolarHBondContact O-N 2.98Å; V219-E223 PolarHBondContact O-N 3.42Å; V219-R778 HydrophobicContact CG1-CB 3.64Å; V219-V779 HydrophobicContact CG1-CG2 3.89Å
220C91.1Very high93.3Very high31 Ų3182.7 Ų82.721%0.20942%0.424CS..Hα-helixtrans-58.2-49.3172.7-67.30000111.8L216 M217 M218 E223 L224 V779L216-C220 PolarHBondContact O-N 2.89Å; L216-C220 PolarHBondContact O-SG 2.79Å; M217-C220 WeakPolarHBondContact O-CB 3.39Å; M217-C220 PolarHBondContact O-N 3.5Å; M218-C220 VanDerWaalsContact C-N 3.35Å; M218-C220 PolarHBondContact O-N 2.89Å; C220-E223 PolarHBondContact O-N 2.96Å; C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 VanDerWaalsContact O-CG 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.49Å; C220-L224 PolarHBondContact O-N 2.63Å; C220-V779 HydrophobicContact CB-CG2 4.14Å; C220-V779 VanDerWaalsContact SG-CG1 3.59Å; C220-V779 WeakPolarHBondContact SG-CG2 3.34Å
221V95.3Very high93.4Very high85 Ų8582.5 Ų82.552%0.51543%0.43SS..Hα-helixtrans-64.9-40.3-179.7171.40000111.4M217 M218 S225M217-V221 WeakPolarHBondContact O-CG2 3.43Å; M217-V221 PolarHBondContact O-N 3.05Å; M218-V221 PolarHBondContact O-N 2.9Å; V221-S225 VanDerWaalsContact O-CB 3.27Å; V221-S225 WeakPolarHBondContact O-CB 3.48Å; V221-S225 PolarHBondContact O-N 2.82Å; V221-S225 PolarHBondContact O-OG 2.88Å
222E94.3Very high93.6Very high87 Ų8779.6 Ų79.641%0.40742%0.42SS..Hα-helixtrans-60.3-49.7173.8-76.2-178.5166.400112.1M218 V219 S225 S226 R778M218-E222 WeakPolarHBondContact O-CG 3.31Å; M218-E222 PolarHBondContact O-N 2.65Å; V219-E222 PolarHBondContact O-N 2.98Å; E222-S225 PolarHBondContact O-N 3.44Å; E222-S225 PolarHBondContact O-OG 3.06Å; E222-S226 WeakPolarHBondContact O-CB 3.39Å; E222-S226 PolarHBondContact O-N 3.41Å; E222-R778 IonicContact OE2-CZ 3.27Å; E222-R778 IonicContact OE2-NH1 3.64Å; E222-R778 PolarHBondContact OE2-NH1 3.45Å; E222-R778 IonicContact OE2-NH2 2.72Å; E222-R778 PolarHBondContact OE2-NH2 2.87Å
223E92.9Very high94Very high23 Ų2380.3 Ų80.311%0.10743%0.426CS..Hα-helixtrans-66.3-41.9-179.8-70.6-158117.900112.3V219 C220 S225 S226 A227 L776 H777 R778 V779V219-E223 PolarHBondContact O-N 3.42Å; C220-E223 PolarHBondContact O-N 2.96Å; E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.08Å; E223-S226 PolarHBondContact O-N 2.87Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 2.99Å; E223-L776 HydrophobicContact CB-CD2 3.73Å; E223-L776 VanDerWaalsContact OE2-CA 3.23Å; E223-L776 WeakPolarHBondContact OE2-CA 3.4Å; E223-H777 PolarHBondContact OE1-N 3.41Å; E223-H777 PolarHBondContact OE2-N 2.8Å; E223-H777 VanDerWaalsContact OE2-N 3.15Å; E223-R778 VanDerWaalsContact CD-CB 3.42Å; E223-R778 HydrophobicContact CG-CB 4.18Å; E223-R778 HydrophobicContact CG-CG 4.35Å; E223-R778 WeakPolarHBondContact OE1-CB 3.47Å; E223-R778 WeakPolarHBondContact OE1-CD 3.23Å; E223-R778 WeakPolarHBondContact OE1-CG 3.37Å; E223-R778 PolarHBondContact OE1-N 3.13Å; E223-R778 WeakPolarHBondContact OE2-CA 3.49Å; E223-R778 WeakPolarHBondContact OE2-CB 3.23Å; E223-R778 PolarHBondContact OE2-N 3.12Å; E223-V779 WeakPolarHBondContact OE2-CG2 3.28Å; E223-V779 PolarHBondContact OE2-N 3Å
224L91.8Very high94.4Very high94 Ų9479.7 Ų79.749%0.49243%0.426SS..Hα-helixtrans-60.3-41.2172.6-71.7171.7000112C220 A227 N228 L776C220-L224 WeakPolarHBondContact O-CB 3.19Å; C220-L224 VanDerWaalsContact O-CG 3.28Å; C220-L224 WeakPolarHBondContact O-CG 3.49Å; C220-L224 PolarHBondContact O-N 2.63Å; L224-A227 PolarHBondContact O-N 3.44Å; L224-N228 WeakPolarHBondContact O-CB 3.43Å; L224-N228 PolarHBondContact O-N 2.72Å; L224-L776 HydrophobicContact CD2-CD2 3.92Å; L224-L776 HydrophobicContact CG-CD2 3.91Å
225S95Very high94.6Very high69 Ų6976.8 Ų76.848%0.48342%0.42SS..Hα-helixtrans-66.7-36.5177.277.60000112.5V221 E222 E223 K229V221-S225 VanDerWaalsContact O-CB 3.27Å; V221-S225 WeakPolarHBondContact O-CB 3.48Å; V221-S225 PolarHBondContact O-N 2.82Å; V221-S225 PolarHBondContact O-OG 2.88Å; E222-S225 PolarHBondContact O-N 3.44Å; E222-S225 PolarHBondContact O-OG 3.06Å; E223-S225 VanDerWaalsContact C-N 3.33Å; E223-S225 PolarHBondContact O-N 3.08Å; S225-K229 WeakPolarHBondContact O-CB 3.34Å; S225-K229 PolarHBondContact O-N 2.94Å
226S93.9Very high94.9Very high63 Ų6376.1 Ų76.144%0.44142%0.416SS..Hα-helixtrans-69.5-43.3176.5-176.50000111.9E222 E223 K229 Q230E222-S226 WeakPolarHBondContact O-CB 3.39Å; E222-S226 PolarHBondContact O-N 3.41Å; E223-S226 PolarHBondContact O-N 2.87Å; S226-K229 PolarHBondContact O-N 3.17Å; S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 2.98Å; S226-Q230 PolarHBondContact O-NE2 3.21Å; S226-Q230 VanDerWaalsContact O-NE2 3.14Å
227A93.7Very high95.3Very high39 Ų3978.9 Ų78.932%0.32243%0.428SS..Hα-helixtrans-65-45.5174.600000111.2E223 L224 K229 Q230 V231E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 2.99Å; L224-A227 PolarHBondContact O-N 3.44Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.49Å; A227-Q230 WeakPolarHBondContact O-CB 3.33Å; A227-Q230 PolarHBondContact O-N 2.8Å; A227-Q230 VanDerWaalsContact O-N 3.14Å; A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 3.27Å
228N94.9Very high95.6Very high104 Ų10479.9 Ų79.956%0.55644%0.435SS*.Hα-helixtrans-61.2-38.6175.5-175.969.1000111.9L224 V231 V232L224-N228 WeakPolarHBondContact O-CB 3.43Å; L224-N228 PolarHBondContact O-N 2.72Å; N228-V231 PolarHBondContact O-N 3.44Å; N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 3.45Å
229K96.8Very high95.8Very high127 Ų12777.1 Ų77.155%0.55243%0.431SS*.Hα-helixtrans-61.6-46.4172.6-170.2-167170.3-158.90111.5S225 S226 A227 V231 V232 D233S225-K229 WeakPolarHBondContact O-CB 3.34Å; S225-K229 PolarHBondContact O-N 2.94Å; S226-K229 PolarHBondContact O-N 3.17Å; A227-K229 VanDerWaalsContact C-N 3.31Å; A227-K229 PolarHBondContact O-N 3.49Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 3.35Å; K229-V232 CarbonylContact O-C 3.57Å; K229-V232 WeakPolarHBondContact O-CA 3.33Å; K229-V232 WeakPolarHBondContact O-CB 3.45Å; K229-V232 PolarHBondContact O-N 3.35Å; K229-D233 VanDerWaalsContact CE-OD2 3.24Å; K229-D233 WeakPolarHBondContact CE-OD2 3.14Å; K229-D233 IonicContact NZ-OD2 3.82Å; K229-D233 PolarHBondContact O-N 2.88Å
230Q97Very high96.1Very high111 Ų11182.6 Ų82.652%0.51945%0.451SS..Hα-helixtrans-59.7-38.2177-72.6166.574.600112.1S226 A227 D233 L234S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 2.98Å; S226-Q230 PolarHBondContact O-NE2 3.21Å; S226-Q230 VanDerWaalsContact O-NE2 3.14Å; A227-Q230 WeakPolarHBondContact O-CB 3.33Å; A227-Q230 PolarHBondContact O-N 2.8Å; A227-Q230 VanDerWaalsContact O-N 3.14Å; Q230-D233 PolarHBondContact O-N 3.23Å; Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 VanDerWaalsContact O-CG 3.23Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 3.02Å
231V97.2Very high96.4Very high95 Ų9586.4 Ų86.458%0.57646%0.464SS*.Hα-helixtrans-62.7-41.9172.7172.50000111.5A227 N228 K229 S235A227-V231 WeakPolarHBondContact O-CG2 3.38Å; A227-V231 PolarHBondContact O-N 3.27Å; N228-V231 PolarHBondContact O-N 3.44Å; K229-V231 VanDerWaalsContact C-N 3.27Å; K229-V231 PolarHBondContact O-N 3.35Å; V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.44Å; V231-S235 PolarHBondContact O-N 3.02Å; V231-S235 PolarHBondContact O-OG 2.91Å
232V98.1Very high96.6Very high60 Ų6088.6 Ų88.636%0.36447%0.47SS..Hα-helixtrans-63.7-53.3174.3172.60000111.2N228 K229 L234 S235 E236N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 3.45Å; K229-V232 CarbonylContact O-C 3.57Å; K229-V232 WeakPolarHBondContact O-CA 3.33Å; K229-V232 WeakPolarHBondContact O-CB 3.45Å; K229-V232 PolarHBondContact O-N 3.35Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.46Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 3.12Å; V232-S235 PolarHBondContact O-OG 3.44Å; V232-E236 PolarHBondContact O-N 2.9Å
233D98.1Very high96.8Very high70 Ų7090 Ų9037%0.37448%0.477SS..Hα-helixtrans-55-42.2-179.4-68-20000111.2K229 Q230 E237K229-D233 VanDerWaalsContact CE-OD2 3.24Å; K229-D233 WeakPolarHBondContact CE-OD2 3.14Å; K229-D233 IonicContact NZ-OD2 3.82Å; K229-D233 PolarHBondContact O-N 2.88Å; Q230-D233 PolarHBondContact O-N 3.23Å; D233-E237 PolarHBondContact O-N 3.33Å; D233-E237 VanDerWaalsContact O-N 3.11Å
234L98.3Very high97.1Very high113 Ų11391.6 Ų91.659%0.59249%0.486SS*.Hα-helixtrans-70-38.3174.4-72.8170.4000113.2Q230 V232 E236 E237 L238Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.42Å; Q230-L234 VanDerWaalsContact O-CG 3.23Å; Q230-L234 WeakPolarHBondContact O-CG 3.34Å; Q230-L234 PolarHBondContact O-N 3.02Å; V232-L234 VanDerWaalsContact C-N 3.27Å; V232-L234 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-E237 PolarHBondContact O-N 3.44Å; L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 PolarHBondContact O-N 2.91Å
235S97.9Very high97.4Very high64 Ų6491 Ų9145%0.44849%0.486SS..Hα-helixtrans-66.2-35.9176.975.70000111.9V231 V232 L238 A239V231-S235 VanDerWaalsContact O-CB 3.27Å; V231-S235 WeakPolarHBondContact O-CB 3.44Å; V231-S235 PolarHBondContact O-N 3.02Å; V231-S235 PolarHBondContact O-OG 2.91Å; V232-S235 WeakPolarHBondContact CA-OG 3.3Å; V232-S235 PolarHBondContact O-N 3.12Å; V232-S235 PolarHBondContact O-OG 3.44Å; S235-L238 PolarHBondContact O-N 3.48Å; S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.88Å
236E98.3Very high97.5Very high93 Ų9391 Ų9144%0.43548%0.483SS..Hα-helixtrans-68.2-38.7171.4-67.6-169.1178.700112V232 L234 A239 R240V232-E236 PolarHBondContact O-N 2.9Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-A239 PolarHBondContact O-N 2.89Å; E236-R240 WeakPolarHBondContact O-CG 3.2Å; E236-R240 PolarHBondContact O-N 2.96Å; E236-R240 PolarHBondContact O-NE 3.25Å; E236-R240 IonicContact OE2-CZ 2.78Å; E236-R240 IonicContact OE2-NH1 3.7Å; E236-R240 PolarHBondContact OE2-NH1 3.33Å; E236-R240 IonicContact OE2-NH2 3.23Å
237E98.4Very high97.7Very high97 Ų9793.3 Ų93.345%0.45348%0.482SS..Hα-helixtrans-65.7-41.2175.2-175.9163.4-158.400111.3D233 L234 A239 R240 K241D233-E237 PolarHBondContact O-N 3.33Å; D233-E237 VanDerWaalsContact O-N 3.11Å; L234-E237 PolarHBondContact O-N 3.44Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.44Å; E237-R240 PolarHBondContact O-N 2.97Å; E237-K241 HydrophobicContact CG-CG 4.43Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 2.76Å
238L98.4Very high98Very high128 Ų12896.8 Ų96.867%0.6749%0.492SS*.Hα-helixtrans-59.4-41.7172.3-178.161.3000111.8L234 S235 K241 M242L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 PolarHBondContact O-N 2.91Å; S235-L238 PolarHBondContact O-N 3.48Å; L238-K241 PolarHBondContact O-N 2.75Å; L238-M242 WeakPolarHBondContact O-CB 3.45Å; L238-M242 PolarHBondContact O-N 2.82Å
239A98.3Very high98.1Very high59 Ų5997.4 Ų97.449%0.48849%0.491SS..Hα-helixtrans-64-44.3174.900000112.3S235 E236 E237 K241 M242 E243S235-A239 WeakPolarHBondContact O-CB 3.37Å; S235-A239 PolarHBondContact O-N 2.88Å; E236-A239 PolarHBondContact O-N 2.89Å; E237-A239 VanDerWaalsContact C-N 3.31Å; E237-A239 PolarHBondContact O-N 3.44Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.32Å; A239-M242 WeakPolarHBondContact O-CB 3.5Å; A239-M242 PolarHBondContact O-N 2.85Å; A239-M242 VanDerWaalsContact O-N 3.17Å; A239-E243 PolarHBondContact O-N 3.23Å
240R98.5Very high98.2Very high122 Ų12297.2 Ų97.246%0.4649%0.492SS..Hα-helixtrans-59.2-42.2173.5-73.1179.6-74.7-100.40.5111.6E236 E237 E243 D244E236-R240 WeakPolarHBondContact O-CG 3.2Å; E236-R240 PolarHBondContact O-N 2.96Å; E236-R240 PolarHBondContact O-NE 3.25Å; E236-R240 IonicContact OE2-CZ 2.78Å; E236-R240 IonicContact OE2-NH1 3.7Å; E236-R240 PolarHBondContact OE2-NH1 3.33Å; E236-R240 IonicContact OE2-NH2 3.23Å; E237-R240 PolarHBondContact O-N 2.97Å; R240-E243 PolarHBondContact O-N 2.72Å; R240-D244 PolarHBondContact O-N 2.71Å
241K98.4Very high98.3Very high112 Ų11297.9 Ų97.949%0.48750%0.495SS..Hα-helixtrans-67-34174.9-66.6-58.9175.4-161.60113.1E237 L238 A239 D244 T245E237-K241 HydrophobicContact CG-CG 4.43Å; E237-K241 WeakPolarHBondContact O-CG 3.43Å; E237-K241 PolarHBondContact O-N 2.76Å; L238-K241 PolarHBondContact O-N 2.75Å; A239-K241 VanDerWaalsContact C-N 3.33Å; A239-K241 PolarHBondContact O-N 3.32Å; K241-D244 PolarHBondContact O-N 2.66Å; K241-T245 WeakPolarHBondContact O-CG2 3.33Å; K241-T245 PolarHBondContact O-N 2.69Å; K241-T245 PolarHBondContact O-OG1 2.75Å
242M98.4Very high98.4Very high131 Ų13197.5 Ų97.565%0.64549%0.489SS*.Hα-helixtrans-67.8-39.7173.6-174175.7177.800111.6L238 A239 T245 V246L238-M242 WeakPolarHBondContact O-CB 3.45Å; L238-M242 PolarHBondContact O-N 2.82Å; A239-M242 WeakPolarHBondContact O-CB 3.5Å; A239-M242 PolarHBondContact O-N 2.85Å; A239-M242 VanDerWaalsContact O-N 3.17Å; M242-T245 PolarHBondContact O-N 2.76Å; M242-T245 PolarHBondContact O-OG1 3.37Å; M242-T245 VanDerWaalsContact O-OG1 3.12Å; M242-V246 VanDerWaalsContact O-CG2 3.32Å; M242-V246 WeakPolarHBondContact O-CG2 3.32Å; M242-V246 PolarHBondContact O-N 2.69Å
243E98.5Very high98.4Very high117 Ų11798 Ų9855%0.54750%0.495SS..Hα-helixtrans-64.8-43.1173.6-159.5-159127.100111.4A239 R240 T245 V246 R247A239-E243 PolarHBondContact O-N 3.23Å; R240-E243 PolarHBondContact O-N 2.72Å; E243-T245 PolarHBondContact O-N 2.87Å; E243-V246 PolarHBondContact O-N 3.33Å; E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 IonicContact OE1-CZ 3.29Å; E243-R247 IonicContact OE1-NE 3.77Å; E243-R247 IonicContact OE1-NH2 2.76Å; E243-R247 PolarHBondContact OE1-NH2 2.85Å
244D98.6Very high98.4Very high56 Ų5698.4 Ų98.430%0.29950%0.504SS..Hα-helixtrans-59.2-43.1175.6-76.6-19.2000112.6R240 K241 R247 Q248R240-D244 PolarHBondContact O-N 2.71Å; K241-D244 PolarHBondContact O-N 2.66Å; D244-R247 PolarHBondContact O-N 3.25Å; D244-R247 IonicContact OD1-CZ 3.38Å; D244-R247 IonicContact OD1-NH1 3.84Å; D244-R247 PolarHBondContact OD1-NH1 3.31Å; D244-R247 IonicContact OD1-NH2 2.77Å; D244-R247 PolarHBondContact OD1-NH2 2.94Å; D244-Q248 VanDerWaalsContact O-CG 3.31Å; D244-Q248 WeakPolarHBondContact O-CG 3.43Å; D244-Q248 PolarHBondContact O-N 3.42Å
245T98Very high98.4Very high80 Ų8096.9 Ų96.949%0.49150%0.496SS..Hα-helixtrans-72.9-33.3178.755.50000112.9K241 M242 E243 Q248 Q249K241-T245 WeakPolarHBondContact O-CG2 3.33Å; K241-T245 PolarHBondContact O-N 2.69Å; K241-T245 PolarHBondContact O-OG1 2.75Å; M242-T245 PolarHBondContact O-N 2.76Å; M242-T245 PolarHBondContact O-OG1 3.37Å; M242-T245 VanDerWaalsContact O-OG1 3.12Å; E243-T245 PolarHBondContact O-N 2.87Å; T245-Q248 PolarHBondContact O-N 3.48Å; T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 PolarHBondContact O-N 3.11Å
246V98.3Very high98.5Very high71 Ų7198.6 Ų98.643%0.4350%0.499SS..Hα-helixtrans-62.3-46.5170169.30000110.5M242 E243 Q248 Q249 E250M242-V246 VanDerWaalsContact O-CG2 3.32Å; M242-V246 WeakPolarHBondContact O-CG2 3.32Å; M242-V246 PolarHBondContact O-N 2.69Å; E243-V246 PolarHBondContact O-N 3.33Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 2.89Å; V246-Q249 WeakPolarHBondContact O-CA 3.21Å; V246-Q249 WeakPolarHBondContact O-CB 3.27Å; V246-Q249 PolarHBondContact O-N 3.46Å; V246-E250 WeakPolarHBondContact O-CG 3.3Å; V246-E250 PolarHBondContact O-N 2.9Å
247R98.6Very high98.5Very high111 Ų11196.7 Ų96.742%0.41950%0.499SS..Hα-helixtrans-61.8-38.1178.5-150.7-177.1-50106.30.5112.4E243 D244 E251E243-R247 WeakPolarHBondContact O-CB 3.43Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 IonicContact OE1-CZ 3.29Å; E243-R247 IonicContact OE1-NE 3.77Å; E243-R247 IonicContact OE1-NH2 2.76Å; E243-R247 PolarHBondContact OE1-NH2 2.85Å; D244-R247 PolarHBondContact O-N 3.25Å; D244-R247 IonicContact OD1-CZ 3.38Å; D244-R247 IonicContact OD1-NH1 3.84Å; D244-R247 PolarHBondContact OD1-NH1 3.31Å; D244-R247 IonicContact OD1-NH2 2.77Å; D244-R247 PolarHBondContact OD1-NH2 2.94Å; R247-E251 PolarHBondContact O-N 3.27Å
248Q98.6Very high98.5Very high111 Ų11197.5 Ų97.552%0.51950%0.503SS..Hα-helixtrans-66.8-39.5171.9-73.1172-1.700112.2D244 T245 V246 E250 E251 I252D244-Q248 VanDerWaalsContact O-CG 3.31Å; D244-Q248 WeakPolarHBondContact O-CG 3.43Å; D244-Q248 PolarHBondContact O-N 3.42Å; T245-Q248 PolarHBondContact O-N 3.48Å; V246-Q248 VanDerWaalsContact C-N 3.31Å; V246-Q248 PolarHBondContact O-N 2.89Å; Q248-E250 VanDerWaalsContact C-N 3.33Å; Q248-E250 PolarHBondContact O-N 3.24Å; Q248-E251 PolarHBondContact O-N 3.37Å; Q248-I252 WeakPolarHBondContact O-CB 3.44Å; Q248-I252 WeakPolarHBondContact O-CD1 3.47Å; Q248-I252 VanDerWaalsContact O-CG1 3.23Å; Q248-I252 WeakPolarHBondContact O-CG1 3.48Å; Q248-I252 PolarHBondContact O-N 3.47Å
249Q98.6Very high98.5Very high117 Ų11796.2 Ų96.255%0.54750%0.496SS..Hα-helixtrans-66.5-34.1176.9-177.456.27000112.3T245 V246 S253T245-Q249 WeakPolarHBondContact O-CB 3.49Å; T245-Q249 PolarHBondContact O-N 3.11Å; V246-Q249 WeakPolarHBondContact O-CA 3.21Å; V246-Q249 WeakPolarHBondContact O-CB 3.27Å; V246-Q249 PolarHBondContact O-N 3.46Å; Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.48Å; Q249-S253 PolarHBondContact O-N 3.46Å
250E98.5Very high98.5Very high123 Ų12397.6 Ų97.658%0.57550%0.498SS*.Hα-helixtrans-66.7-45.4170.7-70.7177.6162.100111.9V246 Q248 S253 S254V246-E250 WeakPolarHBondContact O-CG 3.3Å; V246-E250 PolarHBondContact O-N 2.9Å; Q248-E250 VanDerWaalsContact C-N 3.33Å; Q248-E250 PolarHBondContact O-N 3.24Å; E250-S253 WeakPolarHBondContact O-CB 3.49Å; E250-S253 PolarHBondContact O-N 2.87Å; E250-S254 WeakPolarHBondContact O-CB 3.3Å; E250-S254 PolarHBondContact O-N 3.34Å
251E98.6Very high98.5Very high125 Ų12596.7 Ų96.758%0.58450%0.502SS*.Hα-helixtrans-61-46.4175.4-174.4176.8-17700111.5R247 Q248 S253 S254 L255R247-E251 PolarHBondContact O-N 3.27Å; Q248-E251 PolarHBondContact O-N 3.37Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 3.2Å; E251-S254 WeakPolarHBondContact O-CB 3.31Å; E251-S254 PolarHBondContact O-N 3.49Å; E251-L255 HydrophobicContact CG-CD1 4.05Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 3.25Å
252I98.6Very high98.6Very high88 Ų8894.8 Ų94.845%0.45150%0.497SS..Hα-helixtrans-59.3-43.1175.2-69.9164.2000110.8Q248 L255 L256Q248-I252 WeakPolarHBondContact O-CB 3.44Å; Q248-I252 WeakPolarHBondContact O-CD1 3.47Å; Q248-I252 VanDerWaalsContact O-CG1 3.23Å; Q248-I252 WeakPolarHBondContact O-CG1 3.48Å; Q248-I252 PolarHBondContact O-N 3.47Å; I252-L255 PolarHBondContact O-N 3.23Å; I252-L256 HydrophobicContact CG2-CD1 3.89Å; I252-L256 HydrophobicContact CG2-CG 4.43Å; I252-L256 WeakPolarHBondContact O-CB 3.4Å; I252-L256 VanDerWaalsContact O-CG 3.24Å; I252-L256 WeakPolarHBondContact O-CG 3.47Å; I252-L256 PolarHBondContact O-N 3.38Å
253S98.5Very high98.6Very high70 Ų7093.8 Ų93.849%0.4949%0.491SS..Hα-helixtrans-62.6-44177-169.90000112.2Q249 E250 E251 L256 A257Q249-S253 VanDerWaalsContact O-CB 3.31Å; Q249-S253 WeakPolarHBondContact O-CB 3.48Å; Q249-S253 PolarHBondContact O-N 3.46Å; E250-S253 WeakPolarHBondContact O-CB 3.49Å; E250-S253 PolarHBondContact O-N 2.87Å; E251-S253 VanDerWaalsContact C-N 3.32Å; E251-S253 PolarHBondContact O-N 3.2Å; S253-L256 PolarHBondContact O-N 2.94Å; S253-A257 PolarHBondContact O-N 3.44Å
254S98.7Very high98.6Very high78 Ų7890.9 Ų90.955%0.54549%0.487SS..Hα-helixtrans-62.1-44.5176.4-175.30000112.4E250 E251 A257 Q258E250-S254 WeakPolarHBondContact O-CB 3.3Å; E250-S254 PolarHBondContact O-N 3.34Å; E251-S254 WeakPolarHBondContact O-CB 3.31Å; E251-S254 PolarHBondContact O-N 3.49Å; S254-A257 PolarHBondContact O-N 3.21Å; S254-Q258 PolarHBondContact O-N 3.24Å
255L98.8Very high98.6Very high82 Ų8295.5 Ų95.543%0.42950%0.5SS..Hα-helixtrans-65.4-40.1176-69.8171.4000111.9E251 I252 Q258 I259E251-L255 HydrophobicContact CG-CD1 4.05Å; E251-L255 HydrophobicContact CG-CG 4.48Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 VanDerWaalsContact O-CG 3.32Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 3.25Å; I252-L255 PolarHBondContact O-N 3.23Å; L255-Q258 PolarHBondContact O-N 3.18Å; L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.92Å
256L98.6Very high98.6Very high99 Ų9995.6 Ų95.652%0.51850%0.503SS..Hα-helixtrans-63.6-42.1174.6-74.4169.8000112I252 S253 I259 V260I252-L256 HydrophobicContact CG2-CD1 3.89Å; I252-L256 HydrophobicContact CG2-CG 4.43Å; I252-L256 WeakPolarHBondContact O-CB 3.4Å; I252-L256 VanDerWaalsContact O-CG 3.24Å; I252-L256 WeakPolarHBondContact O-CG 3.47Å; I252-L256 PolarHBondContact O-N 3.38Å; S253-L256 PolarHBondContact O-N 2.94Å; L256-I259 PolarHBondContact O-N 3.45Å; L256-V260 WeakPolarHBondContact O-CG2 3.23Å; L256-V260 PolarHBondContact O-N 3.38Å
257A98.5Very high98.6Very high53 Ų5397.7 Ų97.744%0.43851%0.507SS..Hα-helixtrans-60.5-45.7173.800000111.5S253 S254 I259 V260 D261S253-A257 PolarHBondContact O-N 3.44Å; S254-A257 PolarHBondContact O-N 3.21Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.43Å; A257-V260 PolarHBondContact O-N 3.44Å; A257-V260 VanDerWaalsContact O-N 3.14Å; A257-D261 PolarHBondContact O-N 2.85Å
258Q98.8Very high98.6Very high115 Ų11593.9 Ų93.954%0.53750%0.502SS..Hα-helixtrans-61.2-37.5175.8-171.6-179.5109.100112.6S254 L255 D261 L262S254-Q258 PolarHBondContact O-N 3.24Å; L255-Q258 PolarHBondContact O-N 3.18Å; Q258-D261 PolarHBondContact O-N 2.87Å; Q258-L262 HydrophobicContact CG-CD1 4.17Å; Q258-L262 WeakPolarHBondContact O-CB 3.46Å; Q258-L262 WeakPolarHBondContact O-CG 3.24Å; Q258-L262 PolarHBondContact O-N 3.29Å
259I98.7Very high98.6Very high101 Ų10193.8 Ų93.852%0.51850%0.504SS..Hα-helixtrans-64.9-41.2174.7-72.3163.9000110.9L255 L256 A257 L262 Q263L255-I259 VanDerWaalsContact O-CG1 3.27Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.92Å; L256-I259 PolarHBondContact O-N 3.45Å; A257-I259 VanDerWaalsContact C-N 3.31Å; A257-I259 PolarHBondContact O-N 3.43Å; I259-L262 PolarHBondContact O-N 2.89Å; I259-Q263 WeakPolarHBondContact O-CB 3.29Å; I259-Q263 PolarHBondContact O-N 2.84Å
260V98.8Very high98.6Very high88 Ų8890.9 Ų90.953%0.53350%0.497SS..Hα-helixtrans-64.1-45175.6171.80000111.2L256 A257 L262 Q263 A264L256-V260 WeakPolarHBondContact O-CG2 3.23Å; L256-V260 PolarHBondContact O-N 3.38Å; A257-V260 PolarHBondContact O-N 3.44Å; A257-V260 VanDerWaalsContact O-N 3.14Å; V260-L262 PolarHBondContact O-N 3.38Å; V260-Q263 PolarHBondContact O-N 2.87Å; V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 2.84Å
261D98.6Very high98.6Very high102 Ų10290.6 Ų90.655%0.54550%0.495SS..Hα-helixtrans-65.3-35.8176.7-78.2-16.1000113A257 Q258 R265A257-D261 PolarHBondContact O-N 2.85Å; Q258-D261 PolarHBondContact O-N 2.87Å; D261-R265 WeakPolarHBondContact O-CG 3.19Å; D261-R265 PolarHBondContact O-N 2.88Å; D261-R265 VanDerWaalsContact O-N 3.11Å; D261-R265 PolarHBondContact O-NE 2.74Å
262L98.6Very high98.6Very high73 Ų7390.1 Ų90.138%0.38249%0.493SS..Hα-helixtrans-65.3-46.3170.5-81.3163.8000110.9Q258 I259 V260 A264 R265 C266Q258-L262 HydrophobicContact CG-CD1 4.17Å; Q258-L262 WeakPolarHBondContact O-CB 3.46Å; Q258-L262 WeakPolarHBondContact O-CG 3.24Å; Q258-L262 PolarHBondContact O-N 3.29Å; I259-L262 PolarHBondContact O-N 2.89Å; V260-L262 PolarHBondContact O-N 3.38Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.33Å; L262-R265 VanDerWaalsContact CD2-NH2 3.29Å; L262-R265 PolarHBondContact O-N 3.35Å; L262-C266 WeakPolarHBondContact O-CB 3.35Å; L262-C266 PolarHBondContact O-N 3.4Å; L262-C266 PolarHBondContact O-SG 2.81Å
263Q98.6Very high98.6Very high110 Ų11091.1 Ų91.151%0.51450%0.499SS..Hα-helixtrans-64.2-37.7179.4-162.9-170.839.600111.9I259 V260 K267I259-Q263 WeakPolarHBondContact O-CB 3.29Å; I259-Q263 PolarHBondContact O-N 2.84Å; V260-Q263 PolarHBondContact O-N 2.87Å; Q263-K267 WeakPolarHBondContact O-CB 3.41Å; Q263-K267 VanDerWaalsContact O-CG 3.32Å; Q263-K267 WeakPolarHBondContact O-CG 3.27Å; Q263-K267 PolarHBondContact O-N 3Å
264A98.5Very high98.6Very high56 Ų5692.2 Ų92.246%0.46350%0.497SS..Hα-helixtrans-63.4-4617400000111.7V260 L262 K267 G268V260-A264 WeakPolarHBondContact O-CB 3.32Å; V260-A264 PolarHBondContact O-N 2.84Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.33Å; A264-K267 PolarHBondContact O-N 3.47Å; A264-G268 PolarHBondContact O-N 2.91Å
265R98.6Very high98.5Very high153 Ų15393.1 Ų93.158%0.57750%0.495SS*.Hα-helixtrans-64.6-41.6175.3-74.3-176.5-68.8155.9-7.4112.9D261 L262 K267 G268 L269D261-R265 WeakPolarHBondContact O-CG 3.19Å; D261-R265 PolarHBondContact O-N 2.88Å; D261-R265 VanDerWaalsContact O-N 3.11Å; D261-R265 PolarHBondContact O-NE 2.74Å; L262-R265 VanDerWaalsContact CD2-NH2 3.29Å; L262-R265 PolarHBondContact O-N 3.35Å; R265-K267 VanDerWaalsContact C-N 3.32Å; R265-K267 PolarHBondContact O-N 2.9Å; R265-G268 PolarHBondContact O-N 2.96Å; R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.05Å
266C98.4Very high98.5Very high82 Ų8294.1 Ų94.155%0.55450%0.501SS*.Hα-helixtrans-62.4-38174.8-70.60000112.1L262 S270L262-C266 WeakPolarHBondContact O-CB 3.35Å; L262-C266 PolarHBondContact O-N 3.4Å; L262-C266 PolarHBondContact O-SG 2.81Å; C266-S270 PolarHBondContact O-N 3.41Å; C266-S270 VanDerWaalsContact O-N 3.08Å
267K98.6Very high98.5Very high115 Ų11593.7 Ų93.750%0.550%0.499SS..Hα-helixtrans-63.3-46.8171.8-76168.3178.7171.30111.4Q263 A264 R265 L269 S270 H271Q263-K267 WeakPolarHBondContact O-CB 3.41Å; Q263-K267 VanDerWaalsContact O-CG 3.32Å; Q263-K267 WeakPolarHBondContact O-CG 3.27Å; Q263-K267 PolarHBondContact O-N 3Å; A264-K267 PolarHBondContact O-N 3.47Å; R265-K267 VanDerWaalsContact C-N 3.32Å; R265-K267 PolarHBondContact O-N 2.9Å; K267-L269 PolarHBondContact O-N 2.98Å; K267-S270 WeakPolarHBondContact O-CB 3.46Å; K267-S270 PolarHBondContact O-N 3.38Å; K267-S270 VanDerWaalsContact O-N 3.15Å; K267-H271 PolarHBondContact O-N 3.27Å; K267-H271 VanDerWaalsContact O-N 3.14Å; K267-H271 PolarHBondContact O-ND1 3.36Å
268G98.5Very high98.5Very high31 Ų3197.2 Ų97.232%0.3251%0.506SS..Hα-helixtrans-56.1-50.6176.600000112.6A264 R265 S270 H271 E272A264-G268 PolarHBondContact O-N 2.91Å; R265-G268 PolarHBondContact O-N 2.96Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 2.97Å; G268-H271 PolarHBondContact O-N 3.5Å; G268-H271 VanDerWaalsContact O-N 3.09Å; G268-E272 PolarHBondContact O-N 2.81Å
269L98.5Very high98.5Very high109 Ų10997.7 Ų97.757%0.57151%0.508SS*.Hα-helixtrans-63.1-27.1177-67.9171.4000113.6R265 K267 N273R265-L269 WeakPolarHBondContact O-CG 3.49Å; R265-L269 PolarHBondContact O-N 3.05Å; K267-L269 PolarHBondContact O-N 2.98Å; L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.36Å; L269-N273 PolarHBondContact O-N 3.38Å; L269-N273 VanDerWaalsContact O-N 3.12Å
270S98.6Very high98.5Very high56 Ų5696.7 Ų96.739%0.39250%0.504SS..Hα-helixtrans-66.2-49.1170.7-1600000110.9C266 K267 G268 E272 N273 E274C266-S270 PolarHBondContact O-N 3.41Å; C266-S270 VanDerWaalsContact O-N 3.08Å; K267-S270 WeakPolarHBondContact O-CB 3.46Å; K267-S270 PolarHBondContact O-N 3.38Å; K267-S270 VanDerWaalsContact O-N 3.15Å; G268-S270 VanDerWaalsContact C-N 3.25Å; G268-S270 PolarHBondContact O-N 2.97Å; S270-E272 PolarHBondContact O-N 3.5Å; S270-N273 WeakPolarHBondContact O-CB 3.42Å; S270-N273 PolarHBondContact O-N 3.28Å; S270-N273 VanDerWaalsContact O-N 3.14Å; S270-E274 WeakPolarHBondContact CB-OE1 3.46Å; S270-E274 WeakPolarHBondContact O-CB 3.36Å; S270-E274 VanDerWaalsContact O-CG 3.29Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 2.94Å; S270-E274 PolarHBondContact OG-OE1 3.22Å
271H98.5Very high98.5Very high116 Ų11695 Ų9554%0.53750%0.496SS..Hα-helixtrans-63.2-42.4179.5-67.367.4000111.3K267 G268 N273 E274 D275K267-H271 PolarHBondContact O-N 3.27Å; K267-H271 VanDerWaalsContact O-N 3.14Å; K267-H271 PolarHBondContact O-ND1 3.36Å; G268-H271 PolarHBondContact O-N 3.5Å; G268-H271 VanDerWaalsContact O-N 3.09Å; H271-N273 VanDerWaalsContact C-N 3.3Å; H271-N273 PolarHBondContact O-N 3.42Å; H271-E274 PolarHBondContact O-N 3.45Å; H271-D275 WeakPolarHBondContact O-CB 3.21Å; H271-D275 PolarHBondContact O-N 3.38Å
272E98.4Very high98.5Very high116 Ų11692 Ų9254%0.54248%0.483SS..Hα-helixtrans-60-38.5174.2-71.1175.4-156.700112.4G268 S270 L276G268-E272 PolarHBondContact O-N 2.81Å; S270-E272 PolarHBondContact O-N 3.5Å; E272-L276 WeakPolarHBondContact O-CB 3.23Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3.38Å
273N98.1Very high98.4Very high108 Ų10892 Ų9258%0.57849%0.488SS*.Hα-helixtrans-72.5-36.6177-171.523.5000112.2L269 S270 H271 L276 N277L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.36Å; L269-N273 PolarHBondContact O-N 3.38Å; L269-N273 VanDerWaalsContact O-N 3.12Å; S270-N273 WeakPolarHBondContact O-CB 3.42Å; S270-N273 PolarHBondContact O-N 3.28Å; S270-N273 VanDerWaalsContact O-N 3.14Å; H271-N273 VanDerWaalsContact C-N 3.3Å; H271-N273 PolarHBondContact O-N 3.42Å; N273-L276 PolarHBondContact O-N 2.95Å; N273-N277 VanDerWaalsContact O-CB 3.29Å; N273-N277 WeakPolarHBondContact O-CB 3.43Å; N273-N277 PolarHBondContact O-N 2.91Å
274E98.4Very high98.4Very high93 Ų9393.6 Ų93.644%0.43549%0.49SS..Hα-helixtrans-63.8-46.4172.9-71.6159.9-128.200110.8S270 H271 L276 N277 H278S270-E274 WeakPolarHBondContact CB-OE1 3.46Å; S270-E274 WeakPolarHBondContact O-CB 3.36Å; S270-E274 VanDerWaalsContact O-CG 3.29Å; S270-E274 WeakPolarHBondContact O-CG 3.46Å; S270-E274 PolarHBondContact O-N 2.94Å; S270-E274 PolarHBondContact OG-OE1 3.22Å; H271-E274 PolarHBondContact O-N 3.45Å; E274-L276 PolarHBondContact O-N 3.43Å; E274-N277 PolarHBondContact O-N 3.46Å; E274-H278 PolarHBondContact O-CD2 2.95Å; E274-H278 PolarHBondContact O-N 3.32Å
275D98.4Very high98.4Very high97 Ų9797.6 Ų97.652%0.51950%0.499SS..Hα-helixtrans-60-44.6173.2-83.9-24.9000112.5H271 N277 H278 Q279H271-D275 WeakPolarHBondContact O-CB 3.21Å; H271-D275 PolarHBondContact O-N 3.38Å; D275-N277 VanDerWaalsContact C-N 3.32Å; D275-N277 PolarHBondContact O-N 3.37Å; D275-H278 PolarHBondContact O-N 3.03Å; D275-Q279 WeakPolarHBondContact O-CG 3.38Å; D275-Q279 PolarHBondContact O-N 2.87Å
276L98.5Very high98.4Very high104 Ų10496.2 Ų96.255%0.54550%0.497SS..Hα-helixtrans-64.4-36175.6-75.3170.5000112E272 N273 E274 Q279 L280E272-L276 WeakPolarHBondContact O-CB 3.23Å; E272-L276 VanDerWaalsContact O-CG 3.22Å; E272-L276 WeakPolarHBondContact O-CG 3.45Å; E272-L276 PolarHBondContact O-N 3.38Å; N273-L276 PolarHBondContact O-N 2.95Å; E274-L276 PolarHBondContact O-N 3.43Å; L276-Q279 PolarHBondContact O-N 3.22Å; L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.24Å; L276-L280 PolarHBondContact O-N 3.48Å
277N98.3Very high98.4Very high89 Ų8998.1 Ų98.148%0.47650%0.498SS..Hα-helixtrans-71-33.6174.8-171.136.7000112.2N273 E274 D275 L280 S281N273-N277 VanDerWaalsContact O-CB 3.29Å; N273-N277 WeakPolarHBondContact O-CB 3.43Å; N273-N277 PolarHBondContact O-N 2.91Å; E274-N277 PolarHBondContact O-N 3.46Å; D275-N277 VanDerWaalsContact C-N 3.32Å; D275-N277 PolarHBondContact O-N 3.37Å; N277-L280 PolarHBondContact O-N 3.41Å; N277-S281 WeakPolarHBondContact O-CB 3.39Å; N277-S281 PolarHBondContact O-N 3.35Å; N277-S281 PolarHBondContact O-OG 2.87Å
278H98.5Very high98.4Very high127 Ų12795.5 Ų95.559%0.58850%0.497SS*.Hα-helixtrans-65.7-41.8169.7-76.3-55.4000112.2E274 D275 S281 S282E274-H278 PolarHBondContact O-CD2 2.95Å; E274-H278 PolarHBondContact O-N 3.32Å; D275-H278 PolarHBondContact O-N 3.03Å; H278-S281 WeakPolarHBondContact CA-OG 3.49Å; H278-S281 PolarHBondContact O-OG 2.78Å; H278-S281 VanDerWaalsContact O-OG 3.07Å; H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 3.44Å
279Q98.4Very high98.4Very high126 Ų126100.2 Ų100.259%0.58951%0.509SS*.Hα-helixtrans-63.6-44.1172.6-69.4174.548.800111.9D275 L276 S282 S283D275-Q279 WeakPolarHBondContact O-CG 3.38Å; D275-Q279 PolarHBondContact O-N 2.87Å; L276-Q279 PolarHBondContact O-N 3.22Å; Q279-S282 PolarHBondContact O-N 2.8Å; Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 2.84Å
280L98.5Very high98.4Very high80 Ų80100.3 Ų100.342%0.41951%0.51SS..Hα-helixtrans-62.4-45178.3-175.673.8000112.3L276 N277 S283 R284L276-L280 VanDerWaalsContact O-CB 3.26Å; L276-L280 WeakPolarHBondContact O-CB 3.24Å; L276-L280 PolarHBondContact O-N 3.48Å; N277-L280 PolarHBondContact O-N 3.41Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 3.28Å; L280-R284 WeakPolarHBondContact O-CG 3.45Å; L280-R284 PolarHBondContact O-N 3.46Å
281S98.4Very high98.4Very high53 Ų53104.6 Ų104.637%0.37152%0.521SS..Hα-helixtrans-67.2-42.8177.549.10000111.9N277 H278 S283 R284 E285N277-S281 WeakPolarHBondContact O-CB 3.39Å; N277-S281 PolarHBondContact O-N 3.35Å; N277-S281 PolarHBondContact O-OG 2.87Å; H278-S281 WeakPolarHBondContact CA-OG 3.49Å; H278-S281 PolarHBondContact O-OG 2.78Å; H278-S281 VanDerWaalsContact O-OG 3.07Å; S281-S283 VanDerWaalsContact C-N 3.27Å; S281-S283 PolarHBondContact O-N 2.93Å; S281-R284 PolarHBondContact O-N 2.9Å; S281-E285 PolarHBondContact O-N 3.39Å
282S98.4Very high98.3Very high39 Ų39101.8 Ų101.827%0.27352%0.515SS..Hα-helixtrans-62.9-32.3172.4-171.40000112.8H278 Q279 K286H278-S282 WeakPolarHBondContact O-CB 3.28Å; H278-S282 PolarHBondContact O-N 3.44Å; Q279-S282 PolarHBondContact O-N 2.8Å; S282-K286 VanDerWaalsContact O-CD 3.26Å; S282-K286 WeakPolarHBondContact O-CD 3.31Å; S282-K286 VanDerWaalsContact O-CG 3.26Å; S282-K286 WeakPolarHBondContact O-CG 3.43Å; S282-K286 PolarHBondContact O-N 3.32Å; S282-K286 PolarHBondContact OG-NZ 2.86Å
283S98.2Very high98.3Very high71 Ų71100.7 Ų100.750%0.49751%0.509SS..Hα-helixtrans-67.9-44.1173.1-1650000111.9Q279 L280 S281 E285 K286 E287Q279-S283 WeakPolarHBondContact O-CB 3.39Å; Q279-S283 PolarHBondContact O-N 2.84Å; L280-S283 WeakPolarHBondContact O-CB 3.42Å; L280-S283 PolarHBondContact O-N 3.28Å; S281-S283 VanDerWaalsContact C-N 3.27Å; S281-S283 PolarHBondContact O-N 2.93Å; S283-E285 VanDerWaalsContact C-N 3.34Å; S283-E285 PolarHBondContact O-N 2.83Å; S283-K286 PolarHBondContact O-N 3.39Å; S283-E287 PolarHBondContact O-N 2.96Å
284R98.5Very high98.3Very high145 Ų145101 Ų10155%0.54751%0.511SS..Hα-helixtrans-62.9-36.7175.2-73.1168.9173.5160.7-1.9112.9L280 S281 E287 A288L280-R284 WeakPolarHBondContact O-CG 3.45Å; L280-R284 PolarHBondContact O-N 3.46Å; S281-R284 PolarHBondContact O-N 2.9Å; R284-E287 PolarHBondContact O-N 3.14Å; R284-A288 WeakPolarHBondContact O-CB 3.39Å; R284-A288 PolarHBondContact O-N 3.47Å
285E98.5Very high98.3Very high139 Ų139102.1 Ų102.165%0.6551%0.514SS*.Hα-helixtrans-63.5-45.2174.2-174.9-174.4-166.400111.3S281 S283 A288 K289S281-E285 PolarHBondContact O-N 3.39Å; S283-E285 VanDerWaalsContact C-N 3.34Å; S283-E285 PolarHBondContact O-N 2.83Å; E285-A288 PolarHBondContact O-N 3.03Å; E285-K289 WeakPolarHBondContact O-CB 3.37Å; E285-K289 PolarHBondContact O-N 2.88Å
286K98.1Very high98.3Very high124 Ų124101.5 Ų101.554%0.53951%0.511SS..Hα-helixtrans-62.5-42.6175.1-69158.5-175.4141.50111.7S282 S283 K289 L290S282-K286 VanDerWaalsContact O-CD 3.26Å; S282-K286 WeakPolarHBondContact O-CD 3.31Å; S282-K286 VanDerWaalsContact O-CG 3.26Å; S282-K286 WeakPolarHBondContact O-CG 3.43Å; S282-K286 PolarHBondContact O-N 3.32Å; S282-K286 PolarHBondContact OG-NZ 2.86Å; S283-K286 PolarHBondContact O-N 3.39Å; K286-K289 PolarHBondContact O-N 2.84Å; K286-L290 WeakPolarHBondContact O-CG 3.17Å; K286-L290 PolarHBondContact O-N 3.45Å
287E98Very high98.3Very high123 Ų123100.7 Ų100.758%0.57551%0.507SS*.Hα-helixtrans-61-47.2174.1-170-164.9147.700111.4S283 R284 K289 L290 K291S283-E287 PolarHBondContact O-N 2.96Å; R284-E287 PolarHBondContact O-N 3.14Å; E287-K289 VanDerWaalsContact C-N 3.33Å; E287-K289 PolarHBondContact O-N 3.35Å; E287-L290 PolarHBondContact O-N 3.03Å; E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 PolarHBondContact O-N 3.32Å
288A98.1Very high98.3Very high59 Ų59102.6 Ų102.649%0.48851%0.513SS..Hα-helixtrans-60.6-41.917800000111.9R284 E285 K291 S292R284-A288 WeakPolarHBondContact O-CB 3.39Å; R284-A288 PolarHBondContact O-N 3.47Å; E285-A288 PolarHBondContact O-N 3.03Å; A288-K291 WeakPolarHBondContact O-CB 3.49Å; A288-K291 PolarHBondContact O-N 3.06Å; A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 PolarHBondContact O-OG 3.05Å
289K98.6Very high98.3Very high130 Ų130100 Ų10057%0.56550%0.503SS*.Hα-helixtrans-63.3-48.7175.5178.2172.6170.5174.80112.3E285 K286 E287 K291 S292 E293E285-K289 WeakPolarHBondContact O-CB 3.37Å; E285-K289 PolarHBondContact O-N 2.88Å; K286-K289 PolarHBondContact O-N 2.84Å; E287-K289 VanDerWaalsContact C-N 3.33Å; E287-K289 PolarHBondContact O-N 3.35Å; K289-K291 PolarHBondContact O-N 2.9Å; K289-S292 WeakPolarHBondContact CA-OG 3.46Å; K289-S292 PolarHBondContact O-N 3.44Å; K289-S292 VanDerWaalsContact O-N 3.17Å; K289-S292 PolarHBondContact O-OG 2.85Å; K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 IonicContact NZ-OE1 3.69Å; K289-E293 WeakPolarHBondContact O-CG 3.36Å; K289-E293 PolarHBondContact O-N 2.92Å
290L98.3Very high98.3Very high112 Ų11299.7 Ų99.759%0.58650%0.5SS*.Hα-helixtrans-60.9-33.6175.9-71.7169.6000111.7K286 E287 E293 L294K286-L290 WeakPolarHBondContact O-CG 3.17Å; K286-L290 PolarHBondContact O-N 3.45Å; E287-L290 PolarHBondContact O-N 3.03Å; L290-E293 PolarHBondContact O-N 3.12Å; L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.41Å
291K98.4Very high98.3Very high146 Ų146103.5 Ų103.564%0.63551%0.51SS*.Hα-helixtrans-70.5-36175.7-172.5176.6-177.7175.10113E287 A288 K289 K295E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.36Å; E287-K291 PolarHBondContact O-N 3.32Å; A288-K291 WeakPolarHBondContact O-CB 3.49Å; A288-K291 PolarHBondContact O-N 3.06Å; K289-K291 PolarHBondContact O-N 2.9Å; K291-K295 PolarHBondContact O-N 3.35Å; K291-K295 VanDerWaalsContact O-N 3.12Å
292S98.3Very high98.2Very high56 Ų56103.3 Ų103.339%0.39251%0.509SS..Hα-helixtrans-67.8-44.7168.841.60000111.9A288 K289 L294 K295 D296A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 PolarHBondContact O-OG 3.05Å; K289-S292 WeakPolarHBondContact CA-OG 3.46Å; K289-S292 PolarHBondContact O-N 3.44Å; K289-S292 VanDerWaalsContact O-N 3.17Å; K289-S292 PolarHBondContact O-OG 2.85Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.43Å; S292-K295 CarbonylContact O-C 3.57Å; S292-K295 WeakPolarHBondContact O-CA 3.5Å; S292-K295 PolarHBondContact O-N 3.47Å; S292-D296 VanDerWaalsContact O-CG 3.29Å; S292-D296 PolarHBondContact O-N 3.44Å
293E98.3Very high98.2Very high93 Ų93107.1 Ų107.144%0.43552%0.522SS..Hα-helixtrans-61.1-38.4177.8-71.3172.9-176.800112.2K289 L290 L297K289-E293 WeakPolarHBondContact CE-OE1 3.35Å; K289-E293 IonicContact NZ-OE1 3.69Å; K289-E293 WeakPolarHBondContact O-CG 3.36Å; K289-E293 PolarHBondContact O-N 2.92Å; L290-E293 PolarHBondContact O-N 3.12Å; E293-L297 WeakPolarHBondContact O-CB 3.24Å; E293-L297 PolarHBondContact O-N 2.9Å; E293-L297 VanDerWaalsContact O-N 3.12Å
294L98.3Very high98.2Very high116 Ų116107 Ų10761%0.60752%0.521SS*.Hα-helixtrans-64.4-40.5172.6-179.862.8000112.2L290 S292 L297 Q298L290-L294 WeakPolarHBondContact O-CB 3.35Å; L290-L294 PolarHBondContact O-N 3.41Å; S292-L294 VanDerWaalsContact C-N 3.3Å; S292-L294 PolarHBondContact O-N 3.43Å; L294-L297 PolarHBondContact O-N 3.22Å; L294-Q298 PolarHBondContact O-N 3.37Å
295K98.3Very high98.2Very high116 Ų116105.6 Ų105.650%0.50452%0.52SS..Hα-helixtrans-66.9-48175.2175.5170.2173.2175.80111.4K291 S292 L297 Q298 D299K291-K295 PolarHBondContact O-N 3.35Å; K291-K295 VanDerWaalsContact O-N 3.12Å; S292-K295 CarbonylContact O-C 3.57Å; S292-K295 WeakPolarHBondContact O-CA 3.5Å; S292-K295 PolarHBondContact O-N 3.47Å; K295-L297 PolarHBondContact O-N 3.2Å; K295-L297 VanDerWaalsContact O-N 3.12Å; K295-Q298 CarbonylContact O-C 3.55Å; K295-Q298 WeakPolarHBondContact O-CA 3.45Å; K295-Q298 WeakPolarHBondContact O-CB 3.29Å; K295-Q298 PolarHBondContact O-N 3.4Å; K295-D299 VanDerWaalsContact CE-CG 3.45Å; K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.38Å; K295-D299 WeakPolarHBondContact CE-OD2 3.43Å; K295-D299 IonicContact NZ-OD2 2.72Å; K295-D299 PolarHBondContact O-N 3.46Å
296D98.1Very high98.1Very high84 Ų84104.3 Ų104.345%0.44952%0.518SS..Hα-helixtrans-59-27.4179.3-66.6-9.3000111.8S292 K300S292-D296 VanDerWaalsContact O-CG 3.29Å; S292-D296 PolarHBondContact O-N 3.44Å; D296-K300 WeakPolarHBondContact O-CD 3.44Å; D296-K300 WeakPolarHBondContact O-CE 3.45Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å
297L98Very high98.1Very high87 Ų87103.6 Ų103.646%0.45552%0.518SS..Hα-helixtrans-80.1-39.9172.6-166.669.6000112.3E293 L294 K295 K300 Y301E293-L297 WeakPolarHBondContact O-CB 3.24Å; E293-L297 PolarHBondContact O-N 2.9Å; E293-L297 VanDerWaalsContact O-N 3.12Å; L294-L297 PolarHBondContact O-N 3.22Å; K295-L297 PolarHBondContact O-N 3.2Å; K295-L297 VanDerWaalsContact O-N 3.12Å; L297-K300 PolarHBondContact O-N 3.12Å; L297-Y301 HydrophobicContact CD1-CE2 4.33Å; L297-Y301 HydrophobicContact CD2-CE2 4.03Å; L297-Y301 HydrophobicContact CG-CD2 4.13Å; L297-Y301 HydrophobicContact CG-CE2 3.73Å; L297-Y301 WeakPolarHBondContact O-CD2 3.42Å; L297-Y301 PolarHBondContact O-N 3.35Å
298Q98.3Very high98.1Very high129 Ų129102.1 Ų102.160%0.60351%0.513SS*.Hα-helixtrans-61.1-46.9173.5-179.8178.2-9.300111.8L294 K295 K300 Y301 S302L294-Q298 PolarHBondContact O-N 3.37Å; K295-Q298 CarbonylContact O-C 3.55Å; K295-Q298 WeakPolarHBondContact O-CA 3.45Å; K295-Q298 WeakPolarHBondContact O-CB 3.29Å; K295-Q298 PolarHBondContact O-N 3.4Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 PolarHBondContact O-N 3.15Å; Q298-Y301 WeakPolarHBondContact O-CA 3.23Å; Q298-Y301 WeakPolarHBondContact O-CB 3.34Å; Q298-Y301 PolarHBondContact O-N 3.25Å; Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.31Å
299D98Very high98.1Very high73 Ų73103.7 Ų103.739%0.3951%0.51SS..Hα-helixtrans-61.1-38.7-179.5-70.81.8000110.5K295 S302 E303K295-D299 VanDerWaalsContact CE-CG 3.45Å; K295-D299 VanDerWaalsContact CE-OD1 3.28Å; K295-D299 WeakPolarHBondContact CE-OD1 3.38Å; K295-D299 WeakPolarHBondContact CE-OD2 3.43Å; K295-D299 IonicContact NZ-OD2 2.72Å; K295-D299 PolarHBondContact O-N 3.46Å; D299-S302 WeakPolarHBondContact CA-OG 3.46Å; D299-S302 PolarHBondContact O-N 3.28Å; D299-S302 PolarHBondContact O-OG 3.45Å; D299-E303 PolarHBondContact O-N 3.49Å
300K98.1Very high98Very high118 Ų118103.2 Ų103.251%0.51351%0.51SS..Hα-helixtrans-66.7-34.4171.4-72.6166.6-167.7153.80113.7D296 L297 Q298 E303 C304D296-K300 WeakPolarHBondContact O-CD 3.44Å; D296-K300 WeakPolarHBondContact O-CE 3.45Å; D296-K300 VanDerWaalsContact O-CG 3.23Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; L297-K300 PolarHBondContact O-N 3.12Å; Q298-K300 VanDerWaalsContact C-N 3.28Å; Q298-K300 PolarHBondContact O-N 3.15Å; K300-E303 PolarHBondContact O-N 2.76Å; K300-C304 PolarHBondContact O-N 3.38Å; K300-C304 PolarHBondContact O-SG 2.98Å
301Y98.2Very high97.9Very high160 Ų160100.4 Ų100.463%0.62750%0.503SS*.Hα-helixtrans-66.5-40173.6-82.3-61.3000111.4L297 Q298 C304 E305L297-Y301 HydrophobicContact CD1-CE2 4.33Å; L297-Y301 HydrophobicContact CD2-CE2 4.03Å; L297-Y301 HydrophobicContact CG-CD2 4.13Å; L297-Y301 HydrophobicContact CG-CE2 3.73Å; L297-Y301 WeakPolarHBondContact O-CD2 3.42Å; L297-Y301 PolarHBondContact O-N 3.35Å; Q298-Y301 WeakPolarHBondContact O-CA 3.23Å; Q298-Y301 WeakPolarHBondContact O-CB 3.34Å; Q298-Y301 PolarHBondContact O-N 3.25Å; Y301-C304 WeakPolarHBondContact O-CB 3.29Å; Y301-C304 PolarHBondContact O-N 2.96Å; Y301-E305 PolarHBondContact O-N 2.94Å
302S97.9Very high97.8Very high50 Ų5098.4 Ų98.435%0.3550%0.496SS..Hα-helixtrans-65.5-38.7172.138.10000112.9Q298 D299 C304 E305 D306Q298-S302 PolarHBondContact O-N 2.99Å; Q298-S302 PolarHBondContact O-OG 3.31Å; D299-S302 WeakPolarHBondContact CA-OG 3.46Å; D299-S302 PolarHBondContact O-N 3.28Å; D299-S302 PolarHBondContact O-OG 3.45Å; S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.88Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-E305 VanDerWaalsContact O-N 3.11Å; S302-D306 PolarHBondContact O-N 2.87Å
303E97.8Very high97.7Very high118 Ų118101.8 Ų101.855%0.55150%0.504SS*.Hα-helixtrans-59.4-39.5172.6-175-179.5-162.300111.7D299 K300 M307D299-E303 PolarHBondContact O-N 3.49Å; K300-E303 PolarHBondContact O-N 2.76Å; E303-M307 HydrophobicContact CG-CE 4.49Å; E303-M307 WeakPolarHBondContact O-CB 3.3Å; E303-M307 WeakPolarHBondContact O-CG 3.44Å; E303-M307 PolarHBondContact O-N 2.93Å
304C97.8Very high97.5Very high70 Ų70101.2 Ų101.247%0.47350%0.504SS..Hα-helixtrans-68.5-34.8174-64.80000113.1K300 Y301 S302 L308K300-C304 PolarHBondContact O-N 3.38Å; K300-C304 PolarHBondContact O-SG 2.98Å; Y301-C304 WeakPolarHBondContact O-CB 3.29Å; Y301-C304 PolarHBondContact O-N 2.96Å; S302-C304 VanDerWaalsContact C-N 3.28Å; S302-C304 PolarHBondContact O-N 2.88Å; C304-L308 VanDerWaalsContact O-CB 3.23Å; C304-L308 WeakPolarHBondContact O-CB 3.4Å; C304-L308 PolarHBondContact O-N 3.25Å; C304-L308 VanDerWaalsContact O-N 3.07Å
305E98Very high97.3Very high114 Ų11499.9 Ų99.953%0.53350%0.496SS..Hα-helixtrans-69-43.9175.5-173.9169.2-156.300111.5Y301 S302 L308 H309Y301-E305 PolarHBondContact O-N 2.94Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-E305 VanDerWaalsContact O-N 3.11Å; E305-L308 PolarHBondContact O-N 3.4Å; E305-H309 PolarHBondContact O-N 2.88Å
306D97.7Very high97.1Very high113 Ų113101 Ų10160%0.60450%0.501SS*.Hα-helixtrans-62.9-46.7175.2-83.2-33.1000111.8S302 L308 H309 E310S302-D306 PolarHBondContact O-N 2.87Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.13Å; D306-H309 PolarHBondContact O-N 2.92Å; D306-E310 WeakPolarHBondContact O-CB 3.43Å; D306-E310 PolarHBondContact O-N 3Å
307M97.6Very high96.8Very high108 Ų10899.6 Ų99.653%0.53249%0.493SS..Hα-helixtrans-59.1-38.9173.5-77.2-167.3-66.200112.3E303 E310 A311E303-M307 HydrophobicContact CG-CE 4.49Å; E303-M307 WeakPolarHBondContact O-CB 3.3Å; E303-M307 WeakPolarHBondContact O-CG 3.44Å; E303-M307 PolarHBondContact O-N 2.93Å; M307-E310 PolarHBondContact O-N 3.48Å; M307-A311 WeakPolarHBondContact O-CB 3.37Å; M307-A311 PolarHBondContact O-N 3.14Å
308L97.7Very high96.5Very high92 Ų92101 Ų10148%0.48250%0.501SS..Hα-helixtrans-68.8-39.3177.4174.9146.3000111.5C304 E305 D306 Q312C304-L308 VanDerWaalsContact O-CB 3.23Å; C304-L308 WeakPolarHBondContact O-CB 3.4Å; C304-L308 PolarHBondContact O-N 3.25Å; C304-L308 VanDerWaalsContact O-N 3.07Å; E305-L308 PolarHBondContact O-N 3.4Å; D306-L308 VanDerWaalsContact C-N 3.28Å; D306-L308 PolarHBondContact O-N 3.13Å; L308-Q312 VanDerWaalsContact CD2-NE2 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.37Å; L308-Q312 VanDerWaalsContact O-CG 3.22Å; L308-Q312 WeakPolarHBondContact O-CG 3.33Å; L308-Q312 PolarHBondContact O-N 2.92Å
309H97.5Very high96Very high93 Ų93103 Ų10343%0.43150%0.503SS..Hα-helixtrans-68.5-36.4173.3-80.1-33000112.8E305 D306 Q312 K313E305-H309 PolarHBondContact O-N 2.88Å; D306-H309 PolarHBondContact O-N 2.92Å; H309-Q312 PolarHBondContact ND1-OE1 3.35Å; H309-Q312 VanDerWaalsContact ND1-OE1 3.12Å; H309-Q312 PolarHBondContact O-N 3.27Å; H309-K313 WeakPolarHBondContact O-CB 3.19Å; H309-K313 PolarHBondContact O-N 3.31Å
310E96.6Very high95.2Very high119 Ų119104.7 Ų104.756%0.55651%0.512SS*.Hα-helixtrans-64.4-47.4172.2-176.5158.4-122.800111.2D306 M307 Q312 K313 D314D306-E310 WeakPolarHBondContact O-CB 3.43Å; D306-E310 PolarHBondContact O-N 3Å; M307-E310 PolarHBondContact O-N 3.48Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.95Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 2.83Å; E310-K313 VanDerWaalsContact O-N 3.16Å; E310-D314 PolarHBondContact O-N 2.95Å
311A97Very high94.5Very high54 Ų54107.1 Ų107.145%0.44652%0.523SS..Hα-helixtrans-60.1-41.3174.800000112.6M307 D314 I315M307-A311 WeakPolarHBondContact O-CB 3.37Å; M307-A311 PolarHBondContact O-N 3.14Å; A311-D314 PolarHBondContact O-N 3.31Å; A311-I315 WeakPolarHBondContact O-CD1 3.33Å; A311-I315 VanDerWaalsContact O-CG1 3.27Å; A311-I315 WeakPolarHBondContact O-CG1 3.28Å; A311-I315 PolarHBondContact O-N 3.39Å
312Q96.2Very high92.9Very high104 Ų104103.6 Ų103.649%0.48652%0.522SS..Hα-helixtrans-62.8-43.3173.4-76.8174.3-2.300112.5L308 H309 E310 D314 I315 K316L308-Q312 VanDerWaalsContact CD2-NE2 3.3Å; L308-Q312 WeakPolarHBondContact O-CB 3.37Å; L308-Q312 VanDerWaalsContact O-CG 3.22Å; L308-Q312 WeakPolarHBondContact O-CG 3.33Å; L308-Q312 PolarHBondContact O-N 2.92Å; H309-Q312 PolarHBondContact ND1-OE1 3.35Å; H309-Q312 VanDerWaalsContact ND1-OE1 3.12Å; H309-Q312 PolarHBondContact O-N 3.27Å; E310-Q312 VanDerWaalsContact C-N 3.35Å; E310-Q312 PolarHBondContact O-N 2.95Å; Q312-D314 VanDerWaalsContact C-N 3.32Å; Q312-I315 PolarHBondContact O-N 3.42Å; Q312-K316 WeakPolarHBondContact O-CB 3.17Å; Q312-K316 PolarHBondContact O-N 3.33Å
313K95.8Very high91Very high127 Ų127107.1 Ų107.155%0.55254%0.536SS*.Hα-helixtrans-62.5-39.7176.7178.4-171.6177.4-168.70110.7H309 E310 K316 N317H309-K313 WeakPolarHBondContact O-CB 3.19Å; H309-K313 PolarHBondContact O-N 3.31Å; E310-K313 WeakPolarHBondContact O-CB 3.49Å; E310-K313 PolarHBondContact O-N 2.83Å; E310-K313 VanDerWaalsContact O-N 3.16Å; K313-K316 CarbonylContact O-C 3.56Å; K313-K316 WeakPolarHBondContact O-CB 3.33Å; K313-K316 PolarHBondContact O-N 3.49Å; K313-N317 PolarHBondContact O-N 3.07Å; K313-N317 PolarHBondContact O-ND2 3.25Å
314D95.3Very high88.7Confident81 Ų81107.4 Ų107.443%0.43355%0.548SS..Hα-helixtrans-75.4-35.2177.3-90.8-4.7000114E310 A311 Q312 K316 N317 L318E310-D314 PolarHBondContact O-N 2.95Å; A311-D314 PolarHBondContact O-N 3.31Å; Q312-D314 VanDerWaalsContact C-N 3.32Å; D314-K316 PolarHBondContact O-N 2.84Å; D314-N317 PolarHBondContact O-N 2.94Å; D314-N317 PolarHBondContact OD1-ND2 3.11Å; D314-L318 WeakPolarHBondContact O-CB 3.21Å; D314-L318 VanDerWaalsContact O-CG 3.26Å; D314-L318 WeakPolarHBondContact O-CG 3.33Å; D314-L318 PolarHBondContact O-N 3.18Å
315I93.5Very high86.2Confident87 Ų87112.6 Ų112.645%0.44657%0.571SS.*Hα-helixtrans-58-40.2166.4-70.2163.4000110.4A311 Q312 R319A311-I315 WeakPolarHBondContact O-CD1 3.33Å; A311-I315 VanDerWaalsContact O-CG1 3.27Å; A311-I315 WeakPolarHBondContact O-CG1 3.28Å; A311-I315 PolarHBondContact O-N 3.39Å; Q312-I315 PolarHBondContact O-N 3.42Å; I315-R319 WeakPolarHBondContact O-CB 3.4Å; I315-R319 VanDerWaalsContact O-CG 3.26Å; I315-R319 WeakPolarHBondContact O-CG 3.3Å; I315-R319 PolarHBondContact O-N 3.35Å
316K93.9Very high83.6Confident139 Ų139112.5 Ų112.560%0.60458%0.583SS**Hα-helixtrans-68-41.1174.8-170.2-180-178.3178.90112.1Q312 K313 D314 R319 N320Q312-K316 WeakPolarHBondContact O-CB 3.17Å; Q312-K316 PolarHBondContact O-N 3.33Å; K313-K316 CarbonylContact O-C 3.56Å; K313-K316 WeakPolarHBondContact O-CB 3.33Å; K313-K316 PolarHBondContact O-N 3.49Å; D314-K316 PolarHBondContact O-N 2.84Å; K316-R319 PolarHBondContact O-N 3.43Å; K316-N320 WeakPolarHBondContact O-CB 3.38Å; K316-N320 PolarHBondContact O-N 3.33Å; K316-N320 PolarHBondContact O-ND2 2.86Å; K316-N320 PolarHBondContact O-OD1 2.97Å
317N92.6Very high81.1Confident55 Ų55113.5 Ų113.529%0.29459%0.593SS.*Hα-helixtrans-63.2-43.9175.9-68.3-30.6000111.7K313 D314 N320 K321K313-N317 PolarHBondContact O-N 3.07Å; K313-N317 PolarHBondContact O-ND2 3.25Å; D314-N317 PolarHBondContact O-N 2.94Å; D314-N317 PolarHBondContact OD1-ND2 3.11Å; N317-N320 PolarHBondContact O-N 3.2Å; N317-K321 WeakPolarHBondContact O-CB 3.42Å; N317-K321 VanDerWaalsContact O-CG 3.24Å; N317-K321 WeakPolarHBondContact O-CG 3.36Å; N317-K321 PolarHBondContact O-N 2.86Å
318L90.8Very high78.4Confident118 Ų118115.1 Ų115.162%0.61861%0.609SS**Hα-helixtrans-63.6-46.2176.4-72.4167.9000111D314 N320 K321 S322D314-L318 WeakPolarHBondContact O-CB 3.21Å; D314-L318 VanDerWaalsContact O-CG 3.26Å; D314-L318 WeakPolarHBondContact O-CG 3.33Å; D314-L318 PolarHBondContact O-N 3.18Å; L318-N320 PolarHBondContact O-N 3.39Å; L318-K321 PolarHBondContact O-N 3.37Å; L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 3.38Å
319R87.1Confident76.1Confident169 Ų169119.1 Ų119.164%0.63863%0.625SS**Hα-helixtrans-56.1-50.4173.4-75.7171.5-179.1176.32111.4I315 K316 K321 S322 L323I315-R319 WeakPolarHBondContact O-CB 3.4Å; I315-R319 VanDerWaalsContact O-CG 3.26Å; I315-R319 WeakPolarHBondContact O-CG 3.3Å; I315-R319 PolarHBondContact O-N 3.35Å; K316-R319 PolarHBondContact O-N 3.43Å; R319-K321 VanDerWaalsContact C-N 3.29Å; R319-K321 PolarHBondContact O-N 3.02Å; R319-S322 WeakPolarHBondContact CA-OG 3.41Å; R319-S322 PolarHBondContact O-N 3.32Å; R319-S322 PolarHBondContact O-OG 3.13Å; R319-L323 VanDerWaalsContact O-CD1 3.3Å; R319-L323 WeakPolarHBondContact O-CD1 3.46Å; R319-L323 PolarHBondContact O-N 3.4Å
320N83.1Confident73.5Confident110 Ų110124.3 Ų124.359%0.58864%0.641SS**Hα-helixtrans-60-36.1178-69.9-9.8000113K316 N317 L318K316-N320 WeakPolarHBondContact O-CB 3.38Å; K316-N320 PolarHBondContact O-N 3.33Å; K316-N320 PolarHBondContact O-ND2 2.86Å; K316-N320 PolarHBondContact O-OD1 2.97Å; N317-N320 PolarHBondContact O-N 3.2Å; L318-N320 PolarHBondContact O-N 3.39Å
321K81.6Confident70.8Confident169 Ų169128.5 Ų128.574%0.73565%0.653SS**Hα-helixtrans-76.5-22.6175.8-71.3168.7-177.4176.70113.5N317 L318 R319N317-K321 WeakPolarHBondContact O-CB 3.42Å; N317-K321 VanDerWaalsContact O-CG 3.24Å; N317-K321 WeakPolarHBondContact O-CG 3.36Å; N317-K321 PolarHBondContact O-N 2.86Å; L318-K321 PolarHBondContact O-N 3.37Å; R319-K321 VanDerWaalsContact C-N 3.29Å; R319-K321 PolarHBondContact O-N 3.02Å
322S65.9Low68.1Low86 Ų86130.6 Ų130.660%0.60166%0.661SS**Hα-helixtrans-85.9-11-178.668.30000115L318 R319L318-S322 WeakPolarHBondContact O-CB 3.4Å; L318-S322 PolarHBondContact O-N 2.83Å; L318-S322 PolarHBondContact O-OG 3.38Å; R319-S322 WeakPolarHBondContact CA-OG 3.41Å; R319-S322 PolarHBondContact O-N 3.32Å; R319-S322 PolarHBondContact O-OG 3.13Å
323L57.3Low65.8Low124 Ų124130.4 Ų130.465%0.64968%0.677SS**SBendtrans-83.9131.1171.5-88.875.3000110.1R319 N325R319-L323 VanDerWaalsContact O-CD1 3.3Å; R319-L323 WeakPolarHBondContact O-CD1 3.46Å; R319-L323 PolarHBondContact O-N 3.4Å; L323-N325 PolarHBondContact O-N 3.07Å
324P49.7Very low63.5Low123 Ų123130.9 Ų130.980%0.79968%0.684SS**  trans-70.4128.6175.429-33.5000110.4S326P324-S326 PolarHBondContact O-N 3.13Å; P324-S326 VanDerWaalsContact O-N 3.14Å
325N45.1Very low61Low180 Ų180132.1 Ų132.196%0.96371%0.706SS**  trans-72.3106.2-178.9-135.32.2000110L323L323-N325 PolarHBondContact O-N 3.07Å
326S43.4Very low58.8Low111 Ų111131.9 Ų131.978%0.77671%0.712SS**  trans-143.1141.5171.2-1690000110.9P324P324-S326 PolarHBondContact O-N 3.13Å; P324-S326 VanDerWaalsContact O-N 3.14Å
327T46.3Very low56.9Low135 Ų135131.7 Ų131.783%0.82872%0.722SS**  trans-81.1131.9-174.141.90000112.6
328V39.4Very low54.6Low142 Ų142135.9 Ų135.986%0.86174%0.744SS**  trans179.5141.5130.8144.10000110.1
329Q49.6Very low52.6Low176 Ų176135.8 Ų135.882%0.82275%0.75SS**  trans-87.9122166.8-70.2176.8-32.400111.5
330R44.4Very low51Low202 Ų202134.6 Ų134.676%0.76275%0.754SS**  167.5138.5122.8-95.4171.6-72.9180-4.1112.5
331Y39.5Very low49.7Very low206 Ų206137.1 Ų137.181%0.80877%0.767SS**  trans62.9141.7-177.1-40.1-68.1000111.2
332T40.5Very low48.7Very low99 Ų99132.9 Ų132.961%0.60776%0.759SS**  -166126.451.4-70.30000106.1L334T332-L334 HydrophobicContact CG2-CB 3.72Å; T332-L334 HydrophobicContact CG2-CD1 3.72Å; T332-L334 HydrophobicContact CG2-CG 3.5Å; T332-L334 PolarHBondContact O-N 3.48Å
333A47.2Very low48.2Very low100 Ų100134.4 Ų134.483%0.82676%0.76SS**  680.957.800000116
334L47.5Very low48.4Very low136 Ų136131.7 Ų131.771%0.71276%0.755SS**  trans-140.663.7177.1-67.6174000111T332T332-L334 HydrophobicContact CG2-CB 3.72Å; T332-L334 HydrophobicContact CG2-CD1 3.72Å; T332-L334 HydrophobicContact CG2-CG 3.5Å; T332-L334 PolarHBondContact O-N 3.48Å
335A42.2Very low49.1Very low107 Ų107127.4 Ų127.488%0.88473%0.73SS**  trans-100.73.6164.500000112.3
336S48Very low49.9Very low82 Ų82125.4 Ų125.457%0.57372%0.715SS**  trans-77.5159.9156.848.40000109.8
337V53.4Low50.7Low136 Ų136124.3 Ų124.382%0.82470%0.699SS**  trans7158.4-173.3-159.50000113.7
338L45.7Very low51.4Low142 Ų142122.7 Ų122.774%0.74368%0.682SS**SBendtrans-90.3159.1130.1-69.3175.9000108.2M340L338-M340 PolarHBondContact O-N 2.69Å
339P47.7Very low52.3Low116 Ų116117.8 Ų117.875%0.75366%0.661SS**  trans-60119-173.5-25.735.8000113.1D341P339-D341 VanDerWaalsContact C-N 3.26Å; P339-D341 PolarHBondContact O-N 2.72Å
340M54.3Low52.7Low145 Ų145114 Ų11471%0.71465%0.65SS**  trans-89.935.6-173.9-78.8-69.5-6300113.4L338 A345L338-M340 PolarHBondContact O-N 2.69Å; M340-A345 HydrophobicContact CE-CB 3.82Å; M340-A345 HydrophobicContact SD-CB 4.33Å
341D55.2Low52.9Low162 Ų162112 Ų11287%0.86665%0.647SS**  trans-119.560.1179.3-70-62.3000110.4P339P339-D341 VanDerWaalsContact C-N 3.26Å; P339-D341 PolarHBondContact O-N 2.72Å
342S59.8Low53.7Low80 Ų80110.8 Ų110.856%0.55964%0.641SS**SBendtrans-141.4136.2175.5-178.20000110.9A344 A345S342-A344 PolarHBondContact O-N 3.46Å; S342-A345 WeakPolarHBondContact O-CB 3.43Å; S342-A345 PolarHBondContact O-N 2.94Å
343L56.8Low54.3Low119 Ų119114.9 Ų114.962%0.62365%0.65SS**Hα-helixtrans-51.6-30.5-171.9-168.770.7000113.9A345 E346 I347L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.34Å; L343-E346 PolarHBondContact O-N 3.3Å; L343-I347 HydrophobicContact CG-CD1 4.14Å; L343-I347 WeakPolarHBondContact O-CG1 3.44Å; L343-I347 PolarHBondContact O-N 2.91Å
344A61Low54.5Low66 Ų66113 Ų11355%0.54564%0.641SS.*Hα-helixtrans-61-34.7176.500000113.3S342 I347 E348S342-A344 PolarHBondContact O-N 3.46Å; A344-I347 PolarHBondContact O-N 3.2Å; A344-E348 WeakPolarHBondContact O-CB 3.3Å; A344-E348 PolarHBondContact O-N 2.99Å
345A64.2Low54.7Low34 Ų34113.7 Ų113.728%0.28164%0.644SS.*Hα-helixtrans-73.7-31-179.900000112.7M340 S342 L343 G349M340-A345 HydrophobicContact CE-CB 3.82Å; M340-A345 HydrophobicContact SD-CB 4.33Å; S342-A345 WeakPolarHBondContact O-CB 3.43Å; S342-A345 PolarHBondContact O-N 2.94Å; L343-A345 VanDerWaalsContact C-N 3.29Å; L343-A345 PolarHBondContact O-N 3.34Å; A345-G349 PolarHBondContact O-N 3.29Å
346E63Low54.8Low138 Ų138116 Ų11665%0.64564%0.642SS**Hα-helixtrans-66.4-47.6171.8-174.2178.8-177.500110.5L343 G349 T350L343-E346 PolarHBondContact O-N 3.3Å; E346-G349 PolarHBondContact O-N 3.47Å; E346-T350 PolarHBondContact O-N 2.97Å; E346-T350 PolarHBondContact O-OG1 3.02Å
347I59Low54.3Low87 Ų87116.9 Ų116.945%0.44665%0.648SS.*Hα-helixtrans-62.6-47.7178.9-64.8168.2000111L343 A344 G349 T350 F351L343-I347 HydrophobicContact CG-CD1 4.14Å; L343-I347 WeakPolarHBondContact O-CG1 3.44Å; L343-I347 PolarHBondContact O-N 2.91Å; A344-I347 PolarHBondContact O-N 3.2Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.84Å; I347-T350 WeakPolarHBondContact CA-OG1 3.25Å; I347-T350 PolarHBondContact O-N 2.88Å; I347-T350 PolarHBondContact O-OG1 3.24Å; I347-F351 HydrophobicContact CG2-CD2 4.25Å; I347-F351 HydrophobicContact CG2-CE2 3.99Å; I347-F351 VanDerWaalsContact O-CD2 3.3Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 2.83Å
348E60.5Low54.1Low101 Ų101116.6 Ų116.647%0.47265%0.649SS.*Hα-helixtrans-66.1-34.6177.4-158.6-175.5159.700112A344 T350 F351 R352A344-E348 WeakPolarHBondContact O-CB 3.3Å; A344-E348 PolarHBondContact O-N 2.99Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å; E348-F351 PolarHBondContact O-N 3.3Å; E348-R352 PolarHBondContact O-N 3.41Å; E348-R352 VanDerWaalsContact O-N 3.08Å; E348-R352 IonicContact OE1-CZ 3.14Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 2.85Å; E348-R352 IonicContact OE1-NH2 2.69Å; E348-R352 PolarHBondContact OE1-NH2 3.48Å
349G58.4Low54.2Low40 Ų40114.3 Ų114.341%0.41265%0.651SS.*Hα-helixtrans-59.8-38.6172.200000113.5A345 E346 I347 K353A345-G349 PolarHBondContact O-N 3.29Å; E346-G349 PolarHBondContact O-N 3.47Å; I347-G349 VanDerWaalsContact C-N 3.3Å; I347-G349 PolarHBondContact O-N 2.84Å; G349-K353 WeakPolarHBondContact O-CB 3.4Å; G349-K353 PolarHBondContact O-N 3.29Å
350T57.7Low54.1Low95 Ų95113.6 Ų113.658%0.58365%0.648SS**Hα-helixtrans-66.4-40.9174.427.50000113.4E346 I347 E348E346-T350 PolarHBondContact O-N 2.97Å; E346-T350 PolarHBondContact O-OG1 3.02Å; I347-T350 WeakPolarHBondContact CA-OG1 3.25Å; I347-T350 PolarHBondContact O-N 2.88Å; I347-T350 PolarHBondContact O-OG1 3.24Å; E348-T350 VanDerWaalsContact C-N 3.34Å; E348-T350 PolarHBondContact O-N 3.15Å
351F50.3Low54.2Low160 Ų160111.4 Ų111.470%0.70265%0.647SS**Hα-helixtrans-70.4-41.2179.9-76.5-73.2000112.9I347 E348 K353 G354I347-F351 HydrophobicContact CG2-CD2 4.25Å; I347-F351 HydrophobicContact CG2-CE2 3.99Å; I347-F351 VanDerWaalsContact O-CD2 3.3Å; I347-F351 WeakPolarHBondContact O-CD2 3.3Å; I347-F351 PolarHBondContact O-N 2.83Å; E348-F351 PolarHBondContact O-N 3.3Å; F351-K353 PolarHBondContact O-N 3.27Å; F351-G354 PolarHBondContact O-N 3.07Å
352R56.4Low54.2Low182 Ų182109.6 Ų109.669%0.68763%0.634SS**Hα-helixtrans-70.3-18.8-179.7-66.3-173.8-176.6-76.9-2113.7E348 G354E348-R352 PolarHBondContact O-N 3.41Å; E348-R352 VanDerWaalsContact O-N 3.08Å; E348-R352 IonicContact OE1-CZ 3.14Å; E348-R352 IonicContact OE1-NE 2.76Å; E348-R352 PolarHBondContact OE1-NE 2.85Å; E348-R352 IonicContact OE1-NH2 2.69Å; E348-R352 PolarHBondContact OE1-NH2 3.48Å; R352-G354 VanDerWaalsContact C-N 3.3Å
353K52Low53.9Low184 Ų184115.6 Ų115.680%0.865%0.646SS**THydrogen-bonded Turntrans-81.8-3.7174.8-155.4170.4-175.4177.10113.9G349 F351G349-K353 WeakPolarHBondContact O-CB 3.4Å; G349-K353 PolarHBondContact O-N 3.29Å; F351-K353 PolarHBondContact O-N 3.27Å
354G51.1Low53.8Low61 Ų61118.7 Ų118.763%0.62965%0.654SS**THydrogen-bonded Turntrans-89.8-8.1-174.900000116.9F351 R352F351-G354 PolarHBondContact O-N 3.07Å; R352-G354 VanDerWaalsContact C-N 3.3Å
355L52.9Low53.7Low151 Ų151119.6 Ų119.679%0.79165%0.649SS**SBendtrans-109.3-33.4-171-69.6172.2000114.9
356D43.3Very low53.7Low155 Ų155123.7 Ų123.783%0.82966%0.663SS**SBendtrans-106.153.3-174.3-69.7-56.6000113.7
357S37.4Very low53.7Low101 Ų101120.6 Ų120.671%0.70665%0.654SS**SBendtrans-157.2138.5161.5-118.80000112.5A359S357-A359 PolarHBondContact O-N 3.28Å
358P49.6Very low54Low129 Ų129124.5 Ų124.584%0.83867%0.665SS**  trans-70.2106.5-174.127.6-34.2000112.4S360P358-S360 PolarHBondContact O-N 3.16Å
359A47.5Very low54.6Low95 Ų95127.2 Ų127.279%0.78567%0.671SS**  trans31.280.5158.800000116.9S357 S361S357-A359 PolarHBondContact O-N 3.28Å; A359-S361 PolarHBondContact O-N 3.33Å
360S44.7Very low55.1Low100 Ų100128.5 Ų128.570%0.69967%0.67SS**  trans-55.4134.7160.8-1790000110.3P358 E362P358-S360 PolarHBondContact O-N 3.16Å; S360-E362 PolarHBondContact O-N 3.04Å; S360-E362 VanDerWaalsContact O-N 3.09Å
361S57Low55.8Low99 Ų99131.7 Ų131.769%0.69268%0.676SS**G310 helixtrans-73.1-2.3-166.9540000115.1A359A359-S361 PolarHBondContact O-N 3.33Å
362E55.8Low56.7Low124 Ų124129.7 Ų129.758%0.57967%0.669SS**G310 helixtrans-75.6-29.5-169-166.9142.3-149.200114.2S360 K364 N365 R369S360-E362 PolarHBondContact O-N 3.04Å; S360-E362 VanDerWaalsContact O-N 3.09Å; E362-K364 PolarHBondContact O-N 2.84Å; E362-N365 PolarHBondContact O-N 3.43Å; E362-N365 VanDerWaalsContact O-N 3.08Å; E362-R369 IonicContact OE1-NH1 3.97Å
363Y53.2Low57.5Low207 Ų207125.6 Ų125.681%0.81267%0.665SS**G310 helixtrans-67.4-19.8-177.3-138.5-93.4000113.9N365Y363-N365 VanDerWaalsContact C-N 3.3Å; Y363-N365 PolarHBondContact O-N 3.44Å
364K55.4Low58.4Low183 Ų183120.4 Ų120.480%0.79665%0.648SS**G310 helixtrans-71.5-20.8173.7-95.4-175.9177.2177.60113.8E362E362-K364 PolarHBondContact O-N 2.84Å
365N58.9Low59.5Low85 Ų85124.3 Ų124.346%0.45565%0.648SS.*THydrogen-bonded Turntrans-93.3-12.9-173.8-64.4-46.9000113.7E362 Y363 Y368 R369E362-N365 PolarHBondContact O-N 3.43Å; E362-N365 VanDerWaalsContact O-N 3.08Å; Y363-N365 VanDerWaalsContact C-N 3.3Å; Y363-N365 PolarHBondContact O-N 3.44Å; N365-Y368 PolarHBondContact O-N 2.93Å; N365-R369 PolarHBondContact O-N 2.86Å
366H64.2Low60.4Low120 Ų120122 Ų12256%0.55664%0.64SS**Hα-helixtrans-57.5-51.9178.9-169.873.5000113.8Y368 R369 V370H366-Y368 VanDerWaalsContact C-N 3.26Å; H366-Y368 PolarHBondContact O-N 3.25Å; H366-R369 PolarHBondContact O-N 3.19Å; H366-V370 WeakPolarHBondContact O-CG2 3.29Å; H366-V370 PolarHBondContact O-N 3.37Å
367P61.9Low61.5Low73 Ų73117.3 Ų117.347%0.47462%0.623SS.*Hα-helixtrans-62.2-32.7176.924.2-34.4000112.7V370 F371P367-V370 PolarHBondContact O-N 2.89Å; P367-F371 WeakPolarHBondContact O-CD2 3.29Å; P367-F371 PolarHBondContact O-N 2.91Å
368Y66.3Low62.8Low170 Ų170118.2 Ų118.267%0.66762%0.62SS**Hα-helixtrans-65.8-46176.5-119.7-89.5000111.9N365 H366 V370 F371 E372N365-Y368 PolarHBondContact O-N 2.93Å; H366-Y368 VanDerWaalsContact C-N 3.26Å; H366-Y368 PolarHBondContact O-N 3.25Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; Y368-V370 PolarHBondContact O-N 3.46Å; Y368-F371 PolarHBondContact O-N 2.98Å; Y368-E372 PolarHBondContact O-N 3.12Å
369R71.8Confident63.6Low157 Ų157119.7 Ų119.759%0.59261%0.613SS**Hα-helixtrans-61-38.9174.1-83.9-175.8172.1152.40.6112.6E362 N365 H366 E372 T373E362-R369 IonicContact OE1-NH1 3.97Å; N365-R369 PolarHBondContact O-N 2.86Å; H366-R369 PolarHBondContact O-N 3.19Å; R369-E372 PolarHBondContact O-N 2.83Å; R369-T373 WeakPolarHBondContact O-CB 3.35Å; R369-T373 PolarHBondContact O-N 3.01Å; R369-T373 PolarHBondContact O-OG1 2.98Å
370V70.2Confident64Low67 Ų67118.3 Ų118.341%0.40660%0.602SS.*Hα-helixtrans-65.1-46.5176.1173.60000110.5H366 P367 Y368 E372 T373 V374H366-V370 WeakPolarHBondContact O-CG2 3.29Å; H366-V370 PolarHBondContact O-N 3.37Å; P367-V370 PolarHBondContact O-N 2.89Å; Y368-V370 VanDerWaalsContact C-N 3.34Å; Y368-V370 PolarHBondContact O-N 3.46Å; V370-E372 PolarHBondContact O-N 3.31Å; V370-T373 PolarHBondContact O-N 3.47Å; V370-V374 WeakPolarHBondContact O-CG2 3.5Å; V370-V374 PolarHBondContact O-N 3.49Å
371F72.5Confident64.5Low162 Ų162116.3 Ų116.371%0.71160%0.597SS**Hα-helixtrans-63.3-37.8176.4-95.9-91.6000113.2P367 Y368 K375P367-F371 WeakPolarHBondContact O-CD2 3.29Å; P367-F371 PolarHBondContact O-N 2.91Å; Y368-F371 PolarHBondContact O-N 2.98Å; F371-K375 WeakPolarHBondContact O-CB 3.25Å; F371-K375 PolarHBondContact O-N 2.56Å
372E69.4Low64.5Low118 Ų118119.6 Ų119.655%0.55160%0.599SS**Hα-helixtrans-65.4-44.8172.4-74.1-159.1118.700112.2Y368 R369 V370 V374 K375 V376Y368-E372 PolarHBondContact O-N 3.12Å; R369-E372 PolarHBondContact O-N 2.83Å; V370-E372 PolarHBondContact O-N 3.31Å; E372-V374 PolarHBondContact O-N 3.43Å; E372-K375 CarbonylContact O-C 3.57Å; E372-K375 WeakPolarHBondContact O-CB 3.29Å; E372-K375 PolarHBondContact O-N 2.99Å; E372-K375 VanDerWaalsContact O-N 3.13Å; E372-V376 WeakPolarHBondContact O-CG2 3.14Å; E372-V376 PolarHBondContact O-N 2.99Å
373T72.3Confident64.4Low96 Ų96121.7 Ų121.759%0.58961%0.61SS**Hα-helixtrans-60.7-45.1179.3-53.80000111.5R369 V370 K375 V376 A377R369-T373 WeakPolarHBondContact O-CB 3.35Å; R369-T373 PolarHBondContact O-N 3.01Å; R369-T373 PolarHBondContact O-OG1 2.98Å; V370-T373 PolarHBondContact O-N 3.47Å; T373-K375 VanDerWaalsContact C-N 3.31Å; T373-K375 PolarHBondContact O-N 3.43Å; T373-V376 PolarHBondContact O-N 3.42Å; T373-A377 WeakPolarHBondContact O-CB 3.3Å; T373-A377 PolarHBondContact O-N 2.86Å
374V71.6Confident64.3Low76 Ų76122.9 Ų122.946%0.46161%0.613SS.*Hα-helixtrans-65-33.7175.7172.50000112.1V370 E372 N378V370-V374 WeakPolarHBondContact O-CG2 3.5Å; V370-V374 PolarHBondContact O-N 3.49Å; E372-V374 PolarHBondContact O-N 3.43Å; V374-N378 WeakPolarHBondContact O-CB 3.38Å; V374-N378 PolarHBondContact O-N 2.83Å; V374-N378 PolarHBondContact O-ND2 2.94Å
375K73.4Confident64Low142 Ų142119.4 Ų119.462%0.61761%0.612SS**Hα-helixtrans-74.1-27177-174.5-179.3-175.6-177.20112.9F371 E372 T373 K379F371-K375 WeakPolarHBondContact O-CB 3.25Å; F371-K375 PolarHBondContact O-N 2.56Å; E372-K375 CarbonylContact O-C 3.57Å; E372-K375 WeakPolarHBondContact O-CB 3.29Å; E372-K375 PolarHBondContact O-N 2.99Å; E372-K375 VanDerWaalsContact O-N 3.13Å; T373-K375 VanDerWaalsContact C-N 3.31Å; T373-K375 PolarHBondContact O-N 3.43Å; K375-K379 WeakPolarHBondContact O-CG 3.45Å
376V72.3Confident63Low102 Ų102124 Ų12462%0.61863%0.631SS**Hα-helixtrans-77.4-45.4169.3172.50000110.6E372 T373 N378 K379 A380E372-V376 WeakPolarHBondContact O-CG2 3.14Å; E372-V376 PolarHBondContact O-N 2.99Å; T373-V376 PolarHBondContact O-N 3.42Å; V376-N378 PolarHBondContact O-N 3.3Å; V376-K379 WeakPolarHBondContact O-CB 3.37Å; V376-K379 PolarHBondContact O-N 2.94Å; V376-A380 PolarHBondContact O-N 3.35Å
377A65.6Low61.4Low58 Ų58123.2 Ų123.248%0.47964%0.638SS.*Hα-helixtrans-58.9-44.7177.800000112.6T373 K379 A380 G381T373-A377 WeakPolarHBondContact O-CB 3.3Å; T373-A377 PolarHBondContact O-N 2.86Å; A377-K379 VanDerWaalsContact C-N 3.27Å; A377-K379 PolarHBondContact O-N 3.5Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-A380 VanDerWaalsContact O-N 3.17Å; A377-G381 PolarHBondContact O-N 2.88Å
378N65.8Low60Low120 Ų120128.6 Ų128.664%0.64266%0.656SS**Hα-helixtrans-65.9-25.2175.4-86.9-75.6000113.8V374 V376V374-N378 WeakPolarHBondContact O-CB 3.38Å; V374-N378 PolarHBondContact O-N 2.83Å; V374-N378 PolarHBondContact O-ND2 2.94Å; V376-N378 PolarHBondContact O-N 3.3Å
379K65.3Low58.3Low159 Ų159126.3 Ų126.369%0.69167%0.665SS**Hα-helixtrans-74.4-41170.5-78.7-179.3172.6-171.10111.7K375 V376 A377K375-K379 WeakPolarHBondContact O-CG 3.45Å; V376-K379 WeakPolarHBondContact O-CB 3.37Å; V376-K379 PolarHBondContact O-N 2.94Å; A377-K379 VanDerWaalsContact C-N 3.27Å; A377-K379 PolarHBondContact O-N 3.5Å
380A57Low57.1Low67 Ų67125.2 Ų125.255%0.55468%0.679SS**Hα-helixtrans-66.4-41.1178.200000112.5V376 A377 K382 M383V376-A380 PolarHBondContact O-N 3.35Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-A380 VanDerWaalsContact O-N 3.17Å; A380-K382 PolarHBondContact O-N 3.48Å; A380-M383 PolarHBondContact O-N 3.31Å
381G55.7Low55.2Low57 Ų57125.9 Ų125.959%0.58870%0.699SS**Hα-helixtrans-59.7-27.5179.700000114.3A377 M383A377-G381 PolarHBondContact O-N 2.88Å; G381-M383 PolarHBondContact O-N 3.35Å
382K56.8Low53.2Low169 Ų169126.2 Ų126.274%0.73571%0.707SS**THydrogen-bonded Turntrans-75.80.8-178-158.6165.9-177.5176.10114.5A380A380-K382 PolarHBondContact O-N 3.48Å
383M52.7Low52Low167 Ų167126.5 Ų126.582%0.82372%0.719SS**THydrogen-bonded Turntrans-117.614.4-178.4-64.6-82.985.200114.1A380 G381A380-M383 PolarHBondContact O-N 3.31Å; G381-M383 PolarHBondContact O-N 3.35Å
384R50.9Low49.9Very low232 Ų232125.4 Ų125.488%0.87573%0.727SS**  trans-119.618.5-176.5-139-178.7-162.2-139.31.9116.1Q386R384-Q386 PolarHBondContact O-N 3.24Å
385S48.7Very low47.9Very low111 Ų111127.7 Ų127.778%0.77675%0.747SS**  trans-9361.5178.160.50000112.7
386Q39.1Very low46Very low180 Ų180126.3 Ų126.384%0.84176%0.755SS**  trans-152.3124.9170.4-111.5169.214.600112.8R384R384-Q386 PolarHBondContact O-N 3.24Å
387C30.6Very low44.8Very low104 Ų104126.5 Ų126.570%0.70376%0.758SS**  trans70106.2156.4-57.70000122
388H32.4Very low43.1Very low186 Ų186129.7 Ų129.786%0.86177%0.771SS**  57.8134.6124.6-60.1109000123.3
389S29.7Very low41.4Very low123 Ų123128.8 Ų128.886%0.8677%0.774SS**  trans-128.5142.4166.7-55.30000111
390P46.7Very low39.7Very low134 Ų134126.1 Ų126.187%0.8778%0.776SS**  trans-114.6157.917038.6-29.9000113.6
391G31.2Very low38.4Very low81 Ų81128.2 Ų128.284%0.83579%0.785SS**  trans129.5108158.100000117.9
392L30.7Very low37.2Very low169 Ų169132 Ų13289%0.88580%0.797SS**  trans-94.4177.5161.3-86.3167.5000109.2
393P43.4Very low36Very low123 Ų123129 Ų12980%0.79980%0.797SS**  cis-152.6172.228.743.8-22.6000121
394G28.6Very low35.1Very low73 Ų73127 Ų12775%0.75380%0.795SS**  trans89.9144.2147.900000118.2
395S29.9Very low34.6Very low125 Ų125121.9 Ų121.987%0.87479%0.792SS**  cis-154.8169.1-4.655.60000112.8
396S33.1Very low34Very low112 Ų112127.9 Ų127.978%0.78380%0.797SS**  trans-70.9-178.7-173.8-125.10000115.8
397P47.7Very low33.5Very low106 Ų106124.8 Ų124.869%0.68879%0.791SS**  cis-137.4174.1-2.633.9-12.6000117.3
398V28.8Very low33.3Very low126 Ų126125.7 Ų125.776%0.76480%0.798SS**  157.4118.3128.3161.10000114.8
399S31Very low33.1Very low101 Ų101126.7 Ų126.771%0.70680%0.796SS**  trans66.4142.9152.276.40000124.5
400S29.7Very low33.2Very low103 Ų103132 Ų13272%0.7280%0.798SS**  trans97.2101.6141.7-58.60000122.4
401C30.1Very low32.3Very low111 Ų111128.1 Ų128.175%0.7578%0.783SS**  trans82108.9132.2-580000123.1
402T30.6Very low32.1Very low136 Ų136129.9 Ų129.983%0.83478%0.783SS**  trans64106.1134.652.90000122.2
403S31.1Very low32.1Very low106 Ų106129 Ų12974%0.74178%0.779SS**  trans-67.7165.8145.6540000111.7
404T33Very low31.4Very low126 Ų126131.3 Ų131.377%0.77379%0.785SS**  cis-158.8164.240.436.90000112.7
405P40.2Very low31.4Very low124 Ų124132.7 Ų132.781%0.80579%0.789SS**  trans-98143.1-178.337.2-33.7000115.7
406R35.5Very low31.4Very low236 Ų236131.8 Ų131.889%0.89178%0.782SS**  trans-177.8153.5168.7-109.7-169177.6179.4-1.2109.7
407T30.1Very low31.1Very low116 Ų116136 Ų13671%0.71279%0.787SS**  cis-158.5158-14.4-16.60000109.7
408S26.6Very low30.3Very low122 Ų122138.4 Ų138.485%0.85379%0.792SS**  trans-145.3151.4148.166.30000109.8
409Y27.9Very low30.5Very low208 Ų208138.6 Ų138.682%0.81679%0.788SS**  trans-149110-168.5-172.1-85.9000113
410Y32.2Very low30.4Very low233 Ų233141.9 Ų141.991%0.91479%0.792SS**  trans-175.8134.1152-114.8-79.7000106.1
411G26.8Very low30.4Very low53 Ų53143.3 Ų143.355%0.54679%0.792SS.*  cis157.987.5-5.700000110.7
412S27.8Very low30.6Very low119 Ų119146.8 Ų146.883%0.83279%0.794SS**  trans-165.4145.6168.2-79.10000110.6
413D29.3Very low31.4Very low151 Ų151146 Ų14681%0.80779%0.792SS**  trans-99.5148.6-162.3-54.1-83.8000114.8
414N28.7Very low31.2Very low171 Ų171143.9 Ų143.991%0.91479%0.787SS**  trans-137.777.8159.6-81.8121.5000111
415A29.9Very low30.9Very low101 Ų101143.4 Ų143.484%0.83579%0.788SS**  trans-69.6163.8152.100000110
416S28.4Very low30.3Very low106 Ų106142.6 Ų142.674%0.74179%0.786SS**  trans-131.1155.3-168.763.50000113.5
417F27.7Very low29.8Very low202 Ų202137.3 Ų137.389%0.88679%0.785SS**  trans63.4122.7171-97.6-96.5000118.2
418I30.2Very low29.8Very low156 Ų156135.7 Ų135.780%0.878%0.783SS**  -173.9123.8125.5-97-67.5000109.5
419L32.8Very low29.9Very low130 Ų130137.2 Ų137.268%0.68178%0.777SS**  trans51135143.7-15862.2000124
420E30.1Very low30Very low169 Ų169139.1 Ų139.179%0.7978%0.783SS**  trans59.9159.7154.6-76.6174.4148.100120.8
421D28.7Very low29.9Very low134 Ų134135.1 Ų135.172%0.71777%0.773SS**  cis-151.3128-34.9-170.847.9000112.2
422K35.1Very low30.1Very low183 Ų183139.8 Ų139.880%0.79679%0.785SS**  trans47.3-162.2150.7-124-176.3-179.6171.30118.9
423P47.5Very low30.5Very low119 Ų119138.8 Ų138.877%0.77378%0.778SS**  trans-134.3178-133.145.4-25.8000117.5
424G26.6Very low30.6Very low62 Ų62139.1 Ų139.164%0.63978%0.779SS**  trans153.1146.8141.500000118.7
425S27.4Very low30.9Very low116 Ų116140.3 Ų140.381%0.81178%0.779SS**  trans60.5135.3166.557.90000119.1
426S26.6Very low31.2Very low108 Ų108140.5 Ų140.576%0.75578%0.775SS**  cis98.71419.984.80000117.5
427S25.3Very low31.5Very low125 Ų125142.5 Ų142.587%0.87478%0.782SS**  trans80.4142.6177-145.70000114.8
428A29.9Very low31.6Very low81 Ų81136.5 Ų136.567%0.66978%0.777SS**  cis-134.5142.9-3.300000109.2
429Q28.2Very low31.8Very low155 Ų155132.7 Ų132.772%0.72478%0.776SS**  37.1115.886-103.3-162.9-43.600116.4E431Q429-E431 PolarHBondContact NE2-OE2 3.05Å
430R31.3Very low32.4Very low248 Ų248132.1 Ų132.194%0.93678%0.78SS**  -150.6160.594.7-79.4-152.3178.7-160.2-1.2111
431E29.7Very low32.7Very low149 Ų149134.3 Ų134.370%0.69679%0.787SS**  trans-111.8158.6-177.2-63.6145.593.100110.3Q429Q429-E431 PolarHBondContact NE2-OE2 3.05Å
432D30.7Very low33.5Very low151 Ų151138.3 Ų138.381%0.80779%0.792SS**  trans-155.2107.6141.8-123.8-32.6000114.9
433S35.8Very low33.8Very low97 Ų97137 Ų13768%0.67879%0.793SS**  52.180.3129.8-51.10000122.6
434N33Very low33.3Very low158 Ų158135 Ų13585%0.84579%0.794SS**  28.2125.8128.4-64.5-37000121.9
435H33.3Very low33.8Very low197 Ų197140.2 Ų140.291%0.91280%0.802SS**  -149.5158.5113.5-132.8-92000112
436S36.2Very low34.6Very low105 Ų105140.9 Ų140.973%0.73480%0.804SS**  trans-133.6148.7-160.2-179.10000115
437V35.3Very low35.8Very low147 Ų147139.6 Ų139.689%0.89181%0.807SS**  trans176.9135.6141.3145.90000107.8
438G30.7Very low37.3Very low77 Ų77139 Ų13979%0.79480%0.798SS**  trans171.3-9.3173.900000124.1
439G33.4Very low38.4Very low76 Ų76139.9 Ų139.978%0.78480%0.797SS**  trans86.5-177.4170.400000117.9
440P46.3Very low40.3Very low117 Ų117134.6 Ų134.676%0.7678%0.784SS**  trans-127.5155.5-148.340.4-27.8000117.5
441K36.3Very low42.3Very low216 Ų216125.8 Ų125.894%0.93977%0.771SS**  trans-171172.8130.2-103.9154.1-168.5174.10113.8
442R44.6Very low44.4Very low218 Ų218124.6 Ų124.682%0.82377%0.765SS**  trans-134.2126.1-163.2-176.4-174.6-165.8-98.78.5111.1
443L41.8Very low46.6Very low156 Ų156121.5 Ų121.582%0.81775%0.749SS**  trans28.8115.2153.6-57.9169.4000119.9
444G36.8Very low48.5Very low77 Ų77121.7 Ų121.779%0.79474%0.742SS**  89.4126.4106.300000121.1
445Q37Very low50.6Low170 Ų170118.1 Ų118.179%0.79472%0.72SS**  trans-151.2157.5145.2-106.9-174.5-40.400108.5
446P44.7Very low52.5Low131 Ų131111.3 Ų111.385%0.85169%0.692SS**THydrogen-bonded Turntrans-72.7137.3-179.530.4-33.7000111
447G52.6Low54.5Low80 Ų80108.8 Ų108.883%0.82568%0.678SS**THydrogen-bonded Turntrans116.6-3.7175.300000116.1
448T56.1Low56.5Low113 Ų113106.5 Ų106.569%0.69366%0.66SS**SBendtrans-129.3129.9171.244.70000111.7G450T448-G450 PolarHBondContact O-N 2.87Å
449P52Low58.8Low100 Ų100109.5 Ų109.565%0.64965%0.647SS**  trans-56.4127.9170.9-27.536.8000111.1D453P449-D453 HydrophobicContact CB-CB 4.08Å; P449-D453 WeakPolarHBondContact CB-OD2 3.35Å
450G69.4Low60.8Low43 Ų43111.3 Ų111.344%0.44364%0.639SS.*  trans-72.3166.6174.600000111.8T448 Q452 D453 L454T448-G450 PolarHBondContact O-N 2.87Å; G450-Q452 PolarHBondContact O-N 2.85Å; G450-Q452 VanDerWaalsContact O-N 3.13Å; G450-D453 WeakPolarHBondContact O-CA 3.39Å; G450-D453 WeakPolarHBondContact O-CB 3.36Å; G450-D453 PolarHBondContact O-N 3.4Å; G450-L454 PolarHBondContact O-N 2.85Å
451G73.6Confident61.9Low64 Ų64110.5 Ų110.566%0.6663%0.628SS**Hα-helixtrans-56-31.6176.300000113.6E455G451-E455 PolarHBondContact O-N 3.33Å
452Q73.3Confident63.9Low123 Ų123103.5 Ų103.558%0.57561%0.606SS**Hα-helixtrans-67.2-35.2173.6-168.660.97700113.2G450 E455 T456G450-Q452 PolarHBondContact O-N 2.85Å; G450-Q452 VanDerWaalsContact O-N 3.13Å; Q452-E455 PolarHBondContact NE2-OE2 3.01Å; Q452-E455 WeakPolarHBondContact O-CB 3.49Å; Q452-E455 PolarHBondContact O-N 3.39Å; Q452-T456 PolarHBondContact O-N 3.44Å; Q452-T456 PolarHBondContact O-OG1 3.44Å; Q452-T456 VanDerWaalsContact O-OG1 3.1Å
453D76.3Confident65Low87 Ų8795.4 Ų95.447%0.46559%0.586SS.*Hα-helixtrans-77.6-36.7-178.5-163.523.4000110.6P449 G450 E455 T456 A457P449-D453 HydrophobicContact CB-CB 4.08Å; P449-D453 WeakPolarHBondContact CB-OD2 3.35Å; G450-D453 WeakPolarHBondContact O-CA 3.39Å; G450-D453 WeakPolarHBondContact O-CB 3.36Å; G450-D453 PolarHBondContact O-N 3.4Å; D453-E455 VanDerWaalsContact C-N 3.29Å; D453-E455 PolarHBondContact O-N 3.13Å; D453-T456 WeakPolarHBondContact CA-OG1 3.4Å; D453-T456 PolarHBondContact O-N 2.86Å; D453-T456 PolarHBondContact O-OG1 3.34Å; D453-T456 VanDerWaalsContact O-OG1 3.12Å; D453-A457 VanDerWaalsContact O-CB 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.27Å; D453-A457 PolarHBondContact O-N 2.96Å
454L75.4Confident66.3Low101 Ų10195.5 Ų95.553%0.52958%0.575SS.*Hα-helixtrans-60.1-37.8164.1178.262.2000111.7G450 A457 L458G450-L454 PolarHBondContact O-N 2.85Å; L454-A457 PolarHBondContact O-N 3Å; L454-L458 HydrophobicContact CD1-CD1 4.21Å; L454-L458 HydrophobicContact CD1-CG 4.24Å; L454-L458 HydrophobicContact CG-CD1 4.11Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 3.45Å
455E77.8Confident67.7Low82 Ų8298.5 Ų98.538%0.38357%0.569SS.*Hα-helixtrans-66.8-44.6176.1-153.9-154.8151.100111.8G451 Q452 D453 L458 R459G451-E455 PolarHBondContact O-N 3.33Å; Q452-E455 PolarHBondContact NE2-OE2 3.01Å; Q452-E455 WeakPolarHBondContact O-CB 3.49Å; Q452-E455 PolarHBondContact O-N 3.39Å; D453-E455 VanDerWaalsContact C-N 3.29Å; D453-E455 PolarHBondContact O-N 3.13Å; E455-L458 PolarHBondContact O-N 2.81Å; E455-R459 WeakPolarHBondContact O-CG 3.24Å; E455-R459 PolarHBondContact O-N 3.12Å; E455-R459 IonicContact OE1-CZ 3.38Å; E455-R459 VanDerWaalsContact OE1-CZ 3.31Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 PolarHBondContact OE1-NE 3.09Å; E455-R459 VanDerWaalsContact OE1-NE 3.15Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.14Å; E455-R459 IonicContact OE2-NH2 3.81Å; E455-R459 PolarHBondContact OE2-NH2 3.39Å
456T73.6Confident69Low54 Ų5497.3 Ų97.333%0.33156%0.563SS.*Hα-helixtrans-65.6-36.5172.329.60000112.5Q452 D453 L458 R459 N460Q452-T456 PolarHBondContact O-N 3.44Å; Q452-T456 PolarHBondContact O-OG1 3.44Å; Q452-T456 VanDerWaalsContact O-OG1 3.1Å; D453-T456 WeakPolarHBondContact CA-OG1 3.4Å; D453-T456 PolarHBondContact O-N 2.86Å; D453-T456 PolarHBondContact O-OG1 3.34Å; D453-T456 VanDerWaalsContact O-OG1 3.12Å; T456-L458 VanDerWaalsContact C-N 3.34Å; T456-L458 PolarHBondContact O-N 3.3Å; T456-R459 PolarHBondContact O-N 3.09Å; T456-N460 VanDerWaalsContact O-CB 3.26Å; T456-N460 WeakPolarHBondContact O-CB 3.48Å; T456-N460 PolarHBondContact O-N 2.93Å; T456-N460 PolarHBondContact O-ND2 2.97Å
457A77.9Confident69.2Low52 Ų5293.8 Ų93.843%0.4354%0.541SS..Hα-helixtrans-62.3-41.4172.800000111.5D453 L454 N460 L461D453-A457 VanDerWaalsContact O-CB 3.29Å; D453-A457 WeakPolarHBondContact O-CB 3.27Å; D453-A457 PolarHBondContact O-N 2.96Å; L454-A457 PolarHBondContact O-N 3Å; A457-N460 PolarHBondContact O-N 2.88Å; A457-L461 WeakPolarHBondContact O-CB 3.32Å; A457-L461 PolarHBondContact O-N 3.5Å
458L77.1Confident69.2Low99 Ų9995 Ų9552%0.51853%0.526SS..Hα-helixtrans-71-36.6176-74.3170.8000112.9L454 E455 T456 L461 S462L454-L458 HydrophobicContact CD1-CD1 4.21Å; L454-L458 HydrophobicContact CD1-CG 4.24Å; L454-L458 HydrophobicContact CG-CD1 4.11Å; L454-L458 WeakPolarHBondContact O-CB 3.49Å; L454-L458 VanDerWaalsContact O-CG 3.3Å; L454-L458 WeakPolarHBondContact O-CG 3.47Å; L454-L458 PolarHBondContact O-N 3.45Å; E455-L458 PolarHBondContact O-N 2.81Å; T456-L458 VanDerWaalsContact C-N 3.34Å; T456-L458 PolarHBondContact O-N 3.3Å; L458-L461 PolarHBondContact O-N 3.22Å; L458-S462 WeakPolarHBondContact O-CB 3.5Å; L458-S462 PolarHBondContact O-N 3.23Å
459R79.8Confident69Low140 Ų14093.6 Ų93.653%0.52853%0.525SS..Hα-helixtrans-65.9-41.8171.2-68.9-170.4-148.31532111.6E455 T456 S462 A463E455-R459 WeakPolarHBondContact O-CG 3.24Å; E455-R459 PolarHBondContact O-N 3.12Å; E455-R459 IonicContact OE1-CZ 3.38Å; E455-R459 VanDerWaalsContact OE1-CZ 3.31Å; E455-R459 IonicContact OE1-NE 2.66Å; E455-R459 PolarHBondContact OE1-NE 3.09Å; E455-R459 VanDerWaalsContact OE1-NE 3.15Å; E455-R459 IonicContact OE1-NH2 2.68Å; E455-R459 PolarHBondContact OE1-NH2 3.14Å; E455-R459 IonicContact OE2-NH2 3.81Å; E455-R459 PolarHBondContact OE2-NH2 3.39Å; T456-R459 PolarHBondContact O-N 3.09Å; R459-S462 PolarHBondContact O-N 3.43Å; R459-A463 WeakPolarHBondContact O-CB 3.33Å; R459-A463 PolarHBondContact O-N 2.93Å
460N74.6Confident68.9Low114 Ų11493.1 Ų93.161%0.6152%0.524SS*.Hα-helixtrans-68.4-36.9176.4-70.8-14.4000111.8T456 A457 R464T456-N460 VanDerWaalsContact O-CB 3.26Å; T456-N460 WeakPolarHBondContact O-CB 3.48Å; T456-N460 PolarHBondContact O-N 2.93Å; T456-N460 PolarHBondContact O-ND2 2.97Å; A457-N460 PolarHBondContact O-N 2.88Å; N460-R464 VanDerWaalsContact O-CB 3.25Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.28Å
461L70.5Confident67.8Low101 Ų10195.7 Ų95.753%0.52953%0.528SS..Hα-helixtrans-67.4-41.8173.1-165.276.9000110.9A457 L458 R464 Q465A457-L461 WeakPolarHBondContact O-CB 3.32Å; A457-L461 PolarHBondContact O-N 3.5Å; L458-L461 PolarHBondContact O-N 3.22Å; L461-R464 PolarHBondContact O-N 3.06Å; L461-Q465 WeakPolarHBondContact O-CB 3.21Å; L461-Q465 PolarHBondContact O-N 3.13Å
462S76.8Confident67Low68 Ų6898.1 Ų98.148%0.47652%0.517SS..Hα-helixtrans-64.3-44.4175.4178.30000111.8L458 R459 Q465 Q466L458-S462 WeakPolarHBondContact O-CB 3.5Å; L458-S462 PolarHBondContact O-N 3.23Å; R459-S462 PolarHBondContact O-N 3.43Å; S462-Q465 PolarHBondContact O-N 2.98Å; S462-Q466 WeakPolarHBondContact O-CB 3.12Å; S462-Q466 PolarHBondContact O-N 3.21Å
463A68.6Low66.2Low49 Ų4995.8 Ų95.841%0.40551%0.513SS..Hα-helixtrans-60.2-46.8173.200000111.2R459 Q465 Q466 S467R459-A463 WeakPolarHBondContact O-CB 3.33Å; R459-A463 PolarHBondContact O-N 2.93Å; A463-Q465 VanDerWaalsContact C-N 3.34Å; A463-Q465 PolarHBondContact O-N 3.23Å; A463-Q466 CarbonylContact O-C 3.59Å; A463-Q466 WeakPolarHBondContact O-CB 3.5Å; A463-Q466 PolarHBondContact O-N 2.96Å; A463-S467 PolarHBondContact O-N 3.17Å; A463-S467 PolarHBondContact O-OG 3.07Å; A463-S467 VanDerWaalsContact O-OG 3.09Å
464R68.3Low64.9Low158 Ų15898.9 Ų98.960%0.59652%0.522SS*.Hα-helixtrans-64.7-35.1175.9-176.9177.4175.9-178.92.8113N460 L461 Q466 S467 H468N460-R464 VanDerWaalsContact O-CB 3.25Å; N460-R464 WeakPolarHBondContact O-CB 3.49Å; N460-R464 PolarHBondContact O-N 3.28Å; L461-R464 PolarHBondContact O-N 3.06Å; R464-Q466 VanDerWaalsContact C-N 3.32Å; R464-S467 WeakPolarHBondContact O-CB 3.23Å; R464-S467 PolarHBondContact O-N 2.89Å; R464-H468 PolarHBondContact NE-NE2 3.25Å; R464-H468 WeakPolarHBondContact O-CB 3.27Å; R464-H468 PolarHBondContact O-CD2 3.39Å; R464-H468 PolarHBondContact O-N 3.07Å
465Q66.8Low63.8Low140 Ų140101.8 Ų101.865%0.65453%0.531SS*.Hα-helixtrans-71.4-30.6175.5-169.9172.519.900111.3L461 S462 A463 A469L461-Q465 WeakPolarHBondContact O-CB 3.21Å; L461-Q465 PolarHBondContact O-N 3.13Å; S462-Q465 PolarHBondContact O-N 2.98Å; A463-Q465 VanDerWaalsContact C-N 3.34Å; A463-Q465 PolarHBondContact O-N 3.23Å; Q465-A469 PolarHBondContact O-N 3.48Å; Q465-A469 VanDerWaalsContact O-N 3.11Å
466Q63.5Low63.1Low144 Ų144100 Ų10067%0.67352%0.524SS*.Hα-helixtrans-72-39.3169.9-162.7170.418.600111.3S462 A463 R464 A469 S470S462-Q466 WeakPolarHBondContact O-CB 3.12Å; S462-Q466 PolarHBondContact O-N 3.21Å; A463-Q466 CarbonylContact O-C 3.59Å; A463-Q466 WeakPolarHBondContact O-CB 3.5Å; A463-Q466 PolarHBondContact O-N 2.96Å; R464-Q466 VanDerWaalsContact C-N 3.32Å; Q466-A469 WeakPolarHBondContact O-CB 3.35Å; Q466-A469 PolarHBondContact O-N 3.44Å; Q466-A469 VanDerWaalsContact O-N 3.13Å; Q466-S470 PolarHBondContact O-N 2.97Å; Q466-S470 PolarHBondContact O-OG 3.3Å
467S50.5Low62.9Low57 Ų57100.9 Ų100.940%0.39953%0.529SS..Hα-helixtrans-59.5-47.2169.6-55.40000111.6A463 R464 A469 S470 D471A463-S467 PolarHBondContact O-N 3.17Å; A463-S467 PolarHBondContact O-OG 3.07Å; A463-S467 VanDerWaalsContact O-OG 3.09Å; R464-S467 WeakPolarHBondContact O-CB 3.23Å; R464-S467 PolarHBondContact O-N 2.89Å; S467-A469 PolarHBondContact O-N 2.75Å; S467-S470 WeakPolarHBondContact CA-OG 3.47Å; S467-S470 CarbonylContact O-C 3.59Å; S467-S470 WeakPolarHBondContact O-CA 3.36Å; S467-S470 PolarHBondContact O-N 3.21Å; S467-S470 PolarHBondContact O-OG 3.4Å; S467-D471 PolarHBondContact O-N 2.78Å
468H51.8Low62.5Low107 Ų107100.5 Ų100.550%0.49552%0.518SS..Hα-helixtrans-71-7.2176.2-66-30000114R464 D471R464-H468 PolarHBondContact NE-NE2 3.25Å; R464-H468 WeakPolarHBondContact O-CB 3.27Å; R464-H468 PolarHBondContact O-CD2 3.39Å; R464-H468 PolarHBondContact O-N 3.07Å; H468-D471 IonicContact CE1-OD2 2.66Å; H468-D471 IonicContact CG-OD2 2.71Å; H468-D471 IonicContact ND1-OD2 3.04Å; H468-D471 PolarHBondContact ND1-OD2 3.49Å
469A52.7Low62.2Low83 Ų83102.5 Ų102.569%0.68652%0.519SS*.Hα-helixtrans-88.4-20.2165.100000112.7Q465 Q466 S467Q465-A469 PolarHBondContact O-N 3.48Å; Q465-A469 VanDerWaalsContact O-N 3.11Å; Q466-A469 WeakPolarHBondContact O-CB 3.35Å; Q466-A469 PolarHBondContact O-N 3.44Å; Q466-A469 VanDerWaalsContact O-N 3.13Å; S467-A469 PolarHBondContact O-N 2.75Å
470S49.6Very low61.9Low89 Ų8998.4 Ų98.462%0.62251%0.506SS*.Hα-helixtrans-92.7-22.3170.151.10000114.2Q466 S467 R472Q466-S470 PolarHBondContact O-N 2.97Å; Q466-S470 PolarHBondContact O-OG 3.3Å; S467-S470 WeakPolarHBondContact CA-OG 3.47Å; S467-S470 CarbonylContact O-C 3.59Å; S467-S470 WeakPolarHBondContact O-CA 3.36Å; S467-S470 PolarHBondContact O-N 3.21Å; S467-S470 PolarHBondContact O-OG 3.4Å; S470-R472 PolarHBondContact O-N 2.92Å
471D46Very low61.9Low97 Ų97100.6 Ų100.652%0.51951%0.506SS..  trans-71.659.3175.4-64.7-30.1000111.8S467 H468S467-D471 PolarHBondContact O-N 2.78Å; H468-D471 IonicContact CE1-OD2 2.66Å; H468-D471 IonicContact CG-OD2 2.71Å; H468-D471 IonicContact ND1-OD2 3.04Å; H468-D471 PolarHBondContact ND1-OD2 3.49Å
472R56.3Low62Low116 Ų116101.8 Ų101.844%0.43851%0.506SS..  trans-63.3129.3162.6-76.3-180171.4-136.916.5108.1S470 D476 V477 E480S470-R472 PolarHBondContact O-N 2.92Å; R472-D476 HydrophobicContact CB-CB 4.26Å; R472-V477 HydrophobicContact CB-CG2 3.65Å; R472-E480 IonicContact CZ-OE1 3.44Å; R472-E480 IonicContact CZ-OE2 2.69Å; R472-E480 IonicContact NH1-OE1 2.75Å; R472-E480 PolarHBondContact NH1-OE1 2.94Å; R472-E480 IonicContact NH1-OE2 2.72Å; R472-E480 IonicContact NH2-OE1 2.71Å; R472-E480 PolarHBondContact NH2-OE1 2.83Å; R472-E480 IonicContact NH2-OE2 2.56Å
473P56.4Low61.5Low74 Ų74103.1 Ų103.148%0.48151%0.508SS..  trans-59.4149173.926.6-34000109.7F475 D476 V477P473-F475 PolarHBondContact O-N 3.11Å; P473-D476 WeakPolarHBondContact CD-OD2 3.49Å; P473-D476 HydrophobicContact CG-CB 4.01Å; P473-D476 WeakPolarHBondContact CG-OD2 3.47Å; P473-D476 PolarHBondContact O-N 3.29Å; P473-V477 PolarHBondContact O-N 2.88Å
474F48.8Very low61.7Low151 Ų151108.8 Ų108.866%0.66252%0.519SS*.Hα-helixtrans-45.9-39.3-178.1176.8-102.3000113.1V477 E478F474-V477 PolarHBondContact O-N 3.14Å; F474-E478 WeakPolarHBondContact O-CB 3.3Å; F474-E478 PolarHBondContact O-N 3.01Å
475F53Low61.8Low162 Ų162103.6 Ų103.671%0.71151%0.51SS*.Hα-helixtrans-67.1-31.1176.8-58.9-73.4000114.9P473 R479P473-F475 PolarHBondContact O-N 3.11Å; F475-R479 WeakPolarHBondContact O-CB 3.16Å; F475-R479 PolarHBondContact O-N 3.37Å
476D63.4Low61.7Low46 Ų46102.3 Ų102.325%0.24651%0.507CS..Hα-helixtrans-75.7-34.1172.6-86.2-45.6000112R472 P473 R479 E480R472-D476 HydrophobicContact CB-CB 4.26Å; P473-D476 WeakPolarHBondContact CD-OD2 3.49Å; P473-D476 HydrophobicContact CG-CB 4.01Å; P473-D476 WeakPolarHBondContact CG-OD2 3.47Å; P473-D476 PolarHBondContact O-N 3.29Å; D476-R479 IonicContact OD1-CZ 3.52Å; D476-R479 IonicContact OD1-NH1 2.63Å; D476-R479 PolarHBondContact OD1-NH1 2.78Å; D476-R479 IonicContact OD1-NH2 2.65Å; D476-R479 PolarHBondContact OD1-NH2 3.15Å; D476-E480 WeakPolarHBondContact O-CB 3.49Å; D476-E480 PolarHBondContact O-N 3.32Å
477V68.6Low61.7Low71 Ų7198.1 Ų98.143%0.4350%0.497SS..Hα-helixtrans-67.7-45173.5-178.60000110.1R472 P473 F474 E480 R481R472-V477 HydrophobicContact CB-CG2 3.65Å; P473-V477 PolarHBondContact O-N 2.88Å; F474-V477 PolarHBondContact O-N 3.14Å; V477-E480 PolarHBondContact O-N 2.94Å; V477-R481 WeakPolarHBondContact O-CB 3.33Å; V477-R481 PolarHBondContact O-N 3.29Å
478E68.9Low62.1Low44 Ų4498.7 Ų98.721%0.20651%0.505CS..Hα-helixtrans-71.9-33.9178.4-169.955.8-149.300112.1F474 R481 K482F474-E478 WeakPolarHBondContact O-CB 3.3Å; F474-E478 PolarHBondContact O-N 3.01Å; E478-R481 WeakPolarHBondContact OE2-CD 3.48Å; E478-R481 IonicContact OE2-CZ 3.85Å; E478-R481 IonicContact OE2-NE 3.67Å; E478-R481 IonicContact OE2-NH1 3.47Å; E478-R481 PolarHBondContact OE2-NH1 3.41Å; E478-K482 WeakPolarHBondContact O-CB 3.26Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 2.99Å; E478-K482 WeakPolarHBondContact OE1-CE 3.45Å; E478-K482 IonicContact OE1-NZ 2.73Å
479R70.9Confident62.2Low141 Ų14199.9 Ų99.953%0.53252%0.515SS..Hα-helixtrans-66.3-41.4170.1-168.2-176.273.8-114.5-11.2111.4F475 D476 K482 L483F475-R479 WeakPolarHBondContact O-CB 3.16Å; F475-R479 PolarHBondContact O-N 3.37Å; D476-R479 IonicContact OD1-CZ 3.52Å; D476-R479 IonicContact OD1-NH1 2.63Å; D476-R479 PolarHBondContact OD1-NH1 2.78Å; D476-R479 IonicContact OD1-NH2 2.65Å; D476-R479 PolarHBondContact OD1-NH2 3.15Å; R479-K482 PolarHBondContact O-N 2.91Å; R479-L483 HydrophobicContact CG-CD1 4.1Å; R479-L483 WeakPolarHBondContact O-CB 3.46Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.86Å
480E73.3Confident62.2Low55 Ų55100.6 Ų100.626%0.25751%0.514SS..Hα-helixtrans-71.6-35.2176.8-165.5173.5-82.300112.2R472 D476 V477 K482 L483 R484R472-E480 IonicContact CZ-OE1 3.44Å; R472-E480 IonicContact CZ-OE2 2.69Å; R472-E480 IonicContact NH1-OE1 2.75Å; R472-E480 PolarHBondContact NH1-OE1 2.94Å; R472-E480 IonicContact NH1-OE2 2.72Å; R472-E480 IonicContact NH2-OE1 2.71Å; R472-E480 PolarHBondContact NH2-OE1 2.83Å; R472-E480 IonicContact NH2-OE2 2.56Å; D476-E480 WeakPolarHBondContact O-CB 3.49Å; D476-E480 PolarHBondContact O-N 3.32Å; V477-E480 PolarHBondContact O-N 2.94Å; E480-K482 VanDerWaalsContact C-N 3.33Å; E480-K482 PolarHBondContact O-N 2.99Å; E480-L483 PolarHBondContact O-N 3.09Å; E480-R484 HydrophobicContact CG-CG 4.4Å; E480-R484 WeakPolarHBondContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.14Å; E480-R484 IonicContact OE2-CZ 3.45Å; E480-R484 IonicContact OE2-NE 3.17Å; E480-R484 IonicContact OE2-NH2 2.78Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å
481R74.9Confident62.1Low160 Ų160104.6 Ų104.660%0.60452%0.523SS*.Hα-helixtrans-56.4-47.5168.3177.6-174.1-86.3155.8-14.4110.6V477 E478 R484 A485V477-R481 WeakPolarHBondContact O-CB 3.33Å; V477-R481 PolarHBondContact O-N 3.29Å; E478-R481 WeakPolarHBondContact OE2-CD 3.48Å; E478-R481 IonicContact OE2-CZ 3.85Å; E478-R481 IonicContact OE2-NE 3.67Å; E478-R481 IonicContact OE2-NH1 3.47Å; E478-R481 PolarHBondContact OE2-NH1 3.41Å; R481-R484 PolarHBondContact O-N 3.36Å; R481-A485 WeakPolarHBondContact O-CB 3.39Å; R481-A485 PolarHBondContact O-N 3.39Å
482K72.9Confident61.7Low125 Ų125109 Ų10954%0.54354%0.54SS..Hα-helixtrans-66.5-39.6177.5-73.8173-179.7173.90112.8E478 R479 E480 A485 L486E478-K482 WeakPolarHBondContact O-CB 3.26Å; E478-K482 WeakPolarHBondContact O-CG 3.4Å; E478-K482 PolarHBondContact O-N 2.99Å; E478-K482 WeakPolarHBondContact OE1-CE 3.45Å; E478-K482 IonicContact OE1-NZ 2.73Å; R479-K482 PolarHBondContact O-N 2.91Å; E480-K482 VanDerWaalsContact C-N 3.33Å; E480-K482 PolarHBondContact O-N 2.99Å; K482-A485 PolarHBondContact O-N 3.1Å; K482-L486 WeakPolarHBondContact O-CG 3.49Å; K482-L486 PolarHBondContact O-N 2.98Å
483L65.9Low60.9Low97 Ų97106.9 Ų106.951%0.50855%0.554SS.*Hα-helixtrans-65.9-38.5173.9-76.3165.6000112.3R479 E480 L486 A487R479-L483 HydrophobicContact CG-CD1 4.1Å; R479-L483 WeakPolarHBondContact O-CB 3.46Å; R479-L483 WeakPolarHBondContact O-CG 3.49Å; R479-L483 PolarHBondContact O-N 2.86Å; E480-L483 PolarHBondContact O-N 3.09Å; L483-L486 PolarHBondContact O-N 2.59Å; L483-A487 WeakPolarHBondContact O-CB 3.47Å; L483-A487 PolarHBondContact O-N 3.44Å
484R73.8Confident59.8Low167 Ų167111.7 Ų111.763%0.6358%0.575SS**Hα-helixtrans-69.6-35.2173.5-69.8-171.5-148.4177.56.9112.5E480 R481 A487 A488E480-R484 HydrophobicContact CG-CG 4.4Å; E480-R484 WeakPolarHBondContact O-CB 3.31Å; E480-R484 WeakPolarHBondContact O-CG 3.31Å; E480-R484 PolarHBondContact O-N 3.14Å; E480-R484 IonicContact OE2-CZ 3.45Å; E480-R484 IonicContact OE2-NE 3.17Å; E480-R484 IonicContact OE2-NH2 2.78Å; E480-R484 PolarHBondContact OE2-NH2 3.13Å; R481-R484 PolarHBondContact O-N 3.36Å; R484-A487 PolarHBondContact O-N 2.85Å; R484-A488 VanDerWaalsContact O-CB 3.29Å; R484-A488 WeakPolarHBondContact O-CB 3.22Å; R484-A488 PolarHBondContact O-N 3.42Å
485A70.3Confident58.9Low50 Ų50107.9 Ų107.941%0.41358%0.579SS.*Hα-helixtrans-64.2-43.7172.200000111.3R481 K482 A488 N489R481-A485 WeakPolarHBondContact O-CB 3.39Å; R481-A485 PolarHBondContact O-N 3.39Å; K482-A485 PolarHBondContact O-N 3.1Å; A485-A488 PolarHBondContact O-N 3.16Å; A485-N489 PolarHBondContact O-N 3.34Å; A485-N489 VanDerWaalsContact O-N 3.12Å; A485-N489 PolarHBondContact O-ND2 2.92Å; A485-N489 PolarHBondContact O-OD1 3.36Å
486L65.1Low57.8Low113 Ų113105.9 Ų105.959%0.59259%0.585SS**Hα-helixtrans-64.6-38.9174.1-70.1169.3000112.4K482 L483 N489 C490K482-L486 WeakPolarHBondContact O-CG 3.49Å; K482-L486 PolarHBondContact O-N 2.98Å; L483-L486 PolarHBondContact O-N 2.59Å; L486-N489 PolarHBondContact O-N 2.72Å; L486-C490 PolarHBondContact O-SG 3.47Å
487A62.3Low56.4Low56 Ų56109.3 Ų109.346%0.46361%0.613SS.*Hα-helixtrans-71.5-3717700000113.2L483 R484 N489 C490L483-A487 WeakPolarHBondContact O-CB 3.47Å; L483-A487 PolarHBondContact O-N 3.44Å; R484-A487 PolarHBondContact O-N 2.85Å; A487-N489 PolarHBondContact O-N 3.24Å; A487-C490 WeakPolarHBondContact O-CB 3.39Å; A487-C490 PolarHBondContact O-N 3.01Å
488A60.1Low54.6Low68 Ų68109.9 Ų109.956%0.56263%0.633SS**Hα-helixtrans-61.3-35.7172.100000111.3R484 A485 C490R484-A488 VanDerWaalsContact O-CB 3.29Å; R484-A488 WeakPolarHBondContact O-CB 3.22Å; R484-A488 PolarHBondContact O-N 3.42Å; A485-A488 PolarHBondContact O-N 3.16Å; A488-C490 PolarHBondContact O-N 2.84Å; A488-C490 VanDerWaalsContact O-N 3.15Å
489N53.3Low52.7Low133 Ų133115.3 Ų115.371%0.71166%0.656SS**THydrogen-bonded Turntrans-73.78.3172.6-62.2-6.6000114A485 L486 A487A485-N489 PolarHBondContact O-N 3.34Å; A485-N489 VanDerWaalsContact O-N 3.12Å; A485-N489 PolarHBondContact O-ND2 2.92Å; A485-N489 PolarHBondContact O-OD1 3.36Å; L486-N489 PolarHBondContact O-N 2.72Å; A487-N489 PolarHBondContact O-N 3.24Å
490C52.2Low50.8Low97 Ų97116 Ų11666%0.65567%0.669SS**THydrogen-bonded Turntrans-120.9-10.5177.7-68.30000114.9L486 A487 A488L486-C490 PolarHBondContact O-SG 3.47Å; A487-C490 WeakPolarHBondContact O-CB 3.39Å; A487-C490 PolarHBondContact O-N 3.01Å; A488-C490 PolarHBondContact O-N 2.84Å; A488-C490 VanDerWaalsContact O-N 3.15Å
491E46.8Very low49.1Very low174 Ų174117.3 Ų117.381%0.81368%0.682SS**SBendtrans-98.22.4-178.9-74.2-73138.700114
492E38.6Very low47.2Very low190 Ų190116.1 Ų116.189%0.88869%0.694SS**SBendtrans-109.578.5162.2-73.3-164.8147.300110.1
493G39.6Very low45.2Very low70 Ų70117.3 Ų117.372%0.72271%0.707SS**  trans-89114169.900000111.8
494D32.4Very low43.6Very low175 Ų175119.1 Ų119.194%0.93672%0.717SS**  -149142122.1-131.5-23.1000111.7
495G30.2Very low41.6Very low71 Ų71115.5 Ų115.573%0.73272%0.717SS**  trans-97.1157.7-146.700000118.1
496S30.4Very low39.7Very low120 Ų120121.2 Ų121.284%0.83974%0.74SS**  trans-151.8145.5131.6-151.10000113.2
497S34.3Very low38.1Very low119 Ų119120 Ų12083%0.83275%0.747SS**  trans-50.9141.4-174.451.60000116.9
498G29.9Very low36.5Very low83 Ų83123 Ų12386%0.85676%0.764SS**  trans-176.825.7171.700000118.7
499F29.3Very low35Very low158 Ų158124.5 Ų124.569%0.69377%0.77SS**  trans-80.7135.4-179.4-178-99000112.9T501F499-T501 HydrophobicContact CE2-CG2 3.87Å; F499-T501 HydrophobicContact CZ-CG2 4.09Å; F499-T501 VanDerWaalsContact CZ-OG1 3.28Å; F499-T501 WeakPolarHBondContact CZ-OG1 3.27Å
500L31.7Very low33.7Very low154 Ų154123.6 Ų123.681%0.80677%0.774SS**  trans-168.2112.5132.8-105.1169.2000111.4
501T36.9Very low32.6Very low84 Ų84123.7 Ų123.752%0.51578%0.782SS.*  trans-79.1160.6165.8520000111F499F499-T501 HydrophobicContact CE2-CG2 3.87Å; F499-T501 HydrophobicContact CZ-CG2 4.09Å; F499-T501 VanDerWaalsContact CZ-OG1 3.28Å; F499-T501 WeakPolarHBondContact CZ-OG1 3.27Å
502P34.4Very low31.8Very low134 Ų134120.4 Ų120.487%0.8779%0.785SS**  trans-57.4141.8168.7-19.932.4000110.7
503N32.1Very low31.4Very low150 Ų150116.6 Ų116.680%0.80278%0.779SS**  trans-131.8132.3176.6-175.756.8000109.7
504D32Very low31Very low136 Ų136120.5 Ų120.573%0.72779%0.789SS**  trans-94.9129.7-179.5-135.1-39.9000111.1
505S32.2Very low30.8Very low91 Ų91115.6 Ų115.664%0.63678%0.78SS**SBendtrans43.196.1154.7-58.50000120.5
506L30.2Very low30.8Very low169 Ų169118 Ų11889%0.88578%0.781SS**  trans65.2119.3136.4-59175.7000121.8
507A30.1Very low30.8Very low89 Ų89118.5 Ų118.574%0.73677%0.774SS**  trans72.4109.6142.300000120.6
508S29.4Very low30.5Very low117 Ų117123.6 Ų123.682%0.81878%0.777SS**  43.6136.4122.3-59.20000121.6
509S28.5Very low30.7Very low100 Ų100124.8 Ų124.870%0.69977%0.772SS**  cis-174.1148.2-3.548.10000112.2
510S26.9Very low30.8Very low114 Ų114125.1 Ų125.180%0.79778%0.781SS**  trans51.1114139.4-57.30000121.7
511A29.2Very low30.6Very low100 Ų100121.1 Ų121.183%0.82678%0.777SS**  96.3163123.100000120.9
512A30.4Very low30.5Very low104 Ų104122.5 Ų122.586%0.8679%0.79SS**  trans73.5119.8175.500000118
513S29.4Very low30.5Very low111 Ų111121.5 Ų121.578%0.77679%0.786SS**  trans-73.9178.7170-44.10000112.8
514T30.4Very low30.6Very low151 Ų151125.4 Ų125.493%0.92679%0.79SS**  trans90.8142.4159.3-320000115.2
515G29.7Very low30.5Very low73 Ų73127.5 Ų127.575%0.75380%0.795SS**  trans14276.5165.800000115.1
516T29.1Very low30.5Very low122 Ų122127.9 Ų127.975%0.74880%0.798SS**  trans-68136.2168.648.30000113
517N29.9Very low30.6Very low130 Ų130126.6 Ų126.670%0.69580%0.801SS**  trans69.5157.1143.2-59.7-20.6000121.6
518Y28.2Very low30.5Very low226 Ų226125.6 Ų125.689%0.88680%0.799SS**  trans101131.7155.8-68.7-70000120.6
519S35.7Very low30.5Very low107 Ų107126 Ų12675%0.74880%0.802SS**  trans-96.6147.5-173.2-38.40000112.6
520N30.3Very low31Very low165 Ų165127.6 Ų127.688%0.88281%0.813SS**  trans-165.9152.3136.4-94.7-21.3000106.1
521G28.1Very low31.2Very low70 Ų70125.9 Ų125.972%0.72281%0.814SS**  cis92.9135.831.800000109.7
522S34.3Very low31.2Very low113 Ų113125.1 Ų125.179%0.7982%0.815SS**  cis-172.2137.9-6.5-177.40000110.4
523S34Very low31.3Very low114 Ų114125.7 Ų125.780%0.79781%0.813SS**  trans-170.3124157.646.40000109.4
524R35Very low31.6Very low231 Ų231131.5 Ų131.587%0.87282%0.818SS**  cis80.791.442.2-75.5-168.4126.9-159.60115.8
525H29.8Very low31.6Very low181 Ų181127.9 Ų127.984%0.83880%0.799SS**  178.1165.9129.754.9-81.5000109.4
526S32.8Very low32Very low99 Ų99134.4 Ų134.469%0.69280%0.802SS**  cis-168.4132.7-46.6-88.60000108.4
527C30.5Very low32.8Very low141 Ų141136.1 Ų136.195%0.95381%0.806SS**  trans51.4160.4170.360.20000118.7
528G28.9Very low33.3Very low68 Ų68136.1 Ų136.170%0.70181%0.813SS**  cis171.2156.2-10.100000112.2
529S29.7Very low33.9Very low127 Ų127130.8 Ų130.889%0.88880%0.8SS**  trans66.497.1167-610000120.9
530S39.4Very low34.2Very low132 Ų132136.2 Ų136.292%0.92380%0.804SS**  trans23.2127.9132.6-159.80000121.8
531G30.9Very low34.7Very low79 Ų79135.9 Ų135.981%0.81480%0.802SS**  trans138.4113.4148.600000116.2
532G29.6Very low35.4Very low83 Ų83140.2 Ų140.286%0.85680%0.803SS**  trans121.8131.5167.200000115.1
533S32.4Very low36.1Very low117 Ų117141.9 Ų141.982%0.81880%0.802SS**  trans-98.2140.4-174.3-42.10000113
534R34.1Very low36.6Very low232 Ų232142 Ų14288%0.87580%0.798SS**  179.4167.2124.7-96.4157.8-170.9-79.80.1113.7
535S31.6Very low37.3Very low75 Ų75138.8 Ų138.852%0.52479%0.79SS.*  trans-64.8169178.248.40000113
536Y37.3Very low38.4Very low210 Ų210136 Ų13682%0.82479%0.788SS**  cis-154.3167.145.4-76.4-89.1000115
537L46.3Very low38.9Very low158 Ų158136.8 Ų136.883%0.82778%0.783SS**PPolyproline II helixtrans-71.7157.5162.6-76.281.5000111
538P39.6Very low40.1Very low130 Ų130139.2 Ų139.284%0.84478%0.781SS**PPolyproline II helixtrans-69.9143.3170.530.1-34.7000112.3
539D41.2Very low41.6Very low115 Ų115139.4 Ų139.462%0.61578%0.783SS**PPolyproline II helixtrans-99.4171.5-178.7168.845.6000111.8
540R41.7Very low42.9Very low220 Ų220135.4 Ų135.483%0.8376%0.755SS**  trans90.4118.8-175.7-52146.4-166.2-123.70.6112.2
541L41.8Very low44Very low159 Ų159134.7 Ų134.783%0.83275%0.745SS**  cis-122.495.811.8-70.9167.7000112.5I543L541-I543 PolarHBondContact O-N 3.24Å
542Q43.6Very low45.7Very low160 Ų160135.4 Ų135.475%0.74873%0.733SS**  trans-89.594.4166.1-171.6175.825.300109.6V544Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 2.83Å
543I49Very low47.4Very low149 Ų149136.6 Ų136.676%0.76472%0.72SS**  trans-84.276.2176.2-52.3-176.4000110.1L541L541-I543 PolarHBondContact O-N 3.24Å
544V42.6Very low48.8Very low117 Ų117136 Ų13671%0.70970%0.704SS**  trans-123.199.7153.1179.50000106.7Q542Q542-V544 VanDerWaalsContact C-N 3.29Å; Q542-V544 PolarHBondContact O-N 2.83Å
545K50.4Low50.2Low162 Ų162129.8 Ų129.870%0.70468%0.684SS**  trans-88.6123.6163.8-78.6-168.2174-175.60108.6L547K545-L547 HydrophobicContact CB-CD2 4.26Å; K545-L547 HydrophobicContact CB-CG 3.91Å; K545-L547 HydrophobicContact CD-CD2 4.01Å; K545-L547 HydrophobicContact CD-CG 4.34Å; K545-L547 PolarHBondContact O-N 3.27Å
546P52.4Low51.5Low123 Ų123134.6 Ų134.680%0.79969%0.691SS**  trans-64.6115.715328.8-30.2000107.3
547L43.1Very low53.1Low115 Ų115129.8 Ų129.860%0.60268%0.676SS**  trans-111.972.9174.6-74.7-177.8000110.6K545 G549K545-L547 HydrophobicContact CB-CD2 4.26Å; K545-L547 HydrophobicContact CB-CG 3.91Å; K545-L547 HydrophobicContact CD-CD2 4.01Å; K545-L547 HydrophobicContact CD-CG 4.34Å; K545-L547 PolarHBondContact O-N 3.27Å; L547-G549 PolarHBondContact O-N 2.87Å
548E57.3Low53.8Low193 Ų193127.8 Ų127.890%0.90266%0.662SS**THydrogen-bonded Turntrans-46.4129.6149.2-175.1174.1-156.300109.4
549G58.8Low54.9Low72 Ų72126.9 Ų126.974%0.74265%0.65SS**THydrogen-bonded Turntrans78.520.6168.600000118.5L547 V551L547-G549 PolarHBondContact O-N 2.87Å; G549-V551 PolarHBondContact O-N 3.4Å; G549-V551 VanDerWaalsContact O-N 3.12Å
550S57.8Low55.5Low43 Ų43125.2 Ų125.230%0.30165%0.652SS.*  trans-70.9109.8169.6850000111.3T552 L553 H554S550-T552 PolarHBondContact O-N 3.2Å; S550-L553 PolarHBondContact O-N 3.18Å; S550-L553 VanDerWaalsContact O-N 3.07Å; S550-L553 WeakPolarHBondContact OG-CB 3.43Å; S550-H554 PolarHBondContact O-N 2.91Å; S550-H554 VanDerWaalsContact O-N 3.11Å
551V63.2Low56.1Low117 Ų117121.7 Ų121.771%0.70964%0.643SS**Hα-helixtrans-55.2-35.8-179.3178.20000111.4G549 H554 H555G549-V551 PolarHBondContact O-N 3.4Å; G549-V551 VanDerWaalsContact O-N 3.12Å; V551-H554 PolarHBondContact O-N 3.18Å; V551-H555 WeakPolarHBondContact O-CB 3.46Å; V551-H555 PolarHBondContact O-N 2.78Å
552T65.8Low56.3Low94 Ų94119.7 Ų119.758%0.57764%0.64SS**Hα-helixtrans-59.9-48.9175.8-43.50000112.1S550 H554 H555 W556S550-T552 PolarHBondContact O-N 3.2Å; T552-H554 VanDerWaalsContact C-N 3.35Å; T552-H555 WeakPolarHBondContact O-CB 3.28Å; T552-H555 PolarHBondContact O-N 3.34Å; T552-W556 PolarHBondContact O-N 2.86Å
553L65.1Low56.5Low108 Ų108118.5 Ų118.557%0.56564%0.638SS**Hα-helixtrans-66.5-39178.2-170.7152000110.9S550 H555 W556 Q557S550-L553 PolarHBondContact O-N 3.18Å; S550-L553 VanDerWaalsContact O-N 3.07Å; S550-L553 WeakPolarHBondContact OG-CB 3.43Å; L553-H555 VanDerWaalsContact C-N 3.31Å; L553-H555 PolarHBondContact O-N 2.9Å; L553-W556 PolarHBondContact O-N 3.09Å; L553-Q557 VanDerWaalsContact O-CB 3.24Å; L553-Q557 WeakPolarHBondContact O-CB 3.3Å; L553-Q557 PolarHBondContact O-N 2.93Å
554H63.1Low56.6Low104 Ų104117.8 Ų117.848%0.48164%0.635SS.*Hα-helixtrans-63.6-36.8174.7-168.455.7000112.3S550 V551 T552 Q557 Q558S550-H554 PolarHBondContact O-N 2.91Å; S550-H554 VanDerWaalsContact O-N 3.11Å; V551-H554 PolarHBondContact O-N 3.18Å; T552-H554 VanDerWaalsContact C-N 3.35Å; H554-Q557 PolarHBondContact O-N 3.1Å; H554-Q558 PolarHBondContact CD2-NE2 3.17Å; H554-Q558 VanDerWaalsContact CD2-NE2 3.32Å; H554-Q558 PolarHBondContact NE2-NE2 3.46Å; H554-Q558 WeakPolarHBondContact O-CG 3.12Å; H554-Q558 PolarHBondContact O-N 2.84Å
555H62.2Low57.1Low101 Ų101115.1 Ų115.147%0.46863%0.632SS.*Hα-helixtrans-66-47.7174.5-176.757.8000111.9V551 T552 L553 Q557 Q558 L559V551-H555 WeakPolarHBondContact O-CB 3.46Å; V551-H555 PolarHBondContact O-N 2.78Å; T552-H555 WeakPolarHBondContact O-CB 3.28Å; T552-H555 PolarHBondContact O-N 3.34Å; L553-H555 VanDerWaalsContact C-N 3.31Å; L553-H555 PolarHBondContact O-N 2.9Å; H555-Q557 VanDerWaalsContact C-N 3.29Å; H555-Q557 PolarHBondContact O-N 2.8Å; H555-Q558 PolarHBondContact O-N 2.99Å; H555-L559 WeakPolarHBondContact O-CG 3.36Å; H555-L559 PolarHBondContact O-N 3.26Å
556W58.5Low56.8Low177 Ų177110.4 Ų110.467%0.6763%0.629SS**Hα-helixtrans-61-36.9172.6-73.4109.7000112.2T552 L553 L559 A560T552-W556 PolarHBondContact O-N 2.86Å; L553-W556 PolarHBondContact O-N 3.09Å; W556-L559 HydrophobicContact CE3-CD1 4.48Å; W556-L559 PolarHBondContact O-N 3.16Å; W556-A560 WeakPolarHBondContact O-CB 3.49Å; W556-A560 PolarHBondContact O-N 2.76Å
557Q70.9Confident56.9Low109 Ų109110.9 Ų110.951%0.50962%0.623SS.*Hα-helixtrans-71.2-29.9176.5-166.4-178.428.600112.9L553 H554 H555 K561L553-Q557 VanDerWaalsContact O-CB 3.24Å; L553-Q557 WeakPolarHBondContact O-CB 3.3Å; L553-Q557 PolarHBondContact O-N 2.93Å; H554-Q557 PolarHBondContact O-N 3.1Å; H555-Q557 VanDerWaalsContact C-N 3.29Å; H555-Q557 PolarHBondContact O-N 2.8Å; Q557-K561 PolarHBondContact O-N 2.85Å
558Q62.2Low57Low115 Ų115112.2 Ų112.254%0.53763%0.63SS.*Hα-helixtrans-70.4-41.4169.2-75.3-179.11300111.5H554 H555 A560 K561H554-Q558 PolarHBondContact CD2-NE2 3.17Å; H554-Q558 VanDerWaalsContact CD2-NE2 3.32Å; H554-Q558 PolarHBondContact NE2-NE2 3.46Å; H554-Q558 WeakPolarHBondContact O-CG 3.12Å; H554-Q558 PolarHBondContact O-N 2.84Å; H555-Q558 PolarHBondContact O-N 2.99Å; Q558-A560 VanDerWaalsContact C-N 3.33Å; Q558-K561 PolarHBondContact O-N 3Å
559L63.2Low56.5Low112 Ų112110.5 Ų110.559%0.58662%0.622SS**Hα-helixtrans-68.4-30176.2-68.4170.7000113H555 W556H555-L559 WeakPolarHBondContact O-CG 3.36Å; H555-L559 PolarHBondContact O-N 3.26Å; W556-L559 HydrophobicContact CE3-CD1 4.48Å; W556-L559 PolarHBondContact O-N 3.16Å
560A52.8Low55.7Low80 Ų80113.3 Ų113.366%0.66163%0.627SS**THydrogen-bonded Turntrans-85.2-1.617900000114.4W556 Q558 P562W556-A560 WeakPolarHBondContact O-CB 3.49Å; W556-A560 PolarHBondContact O-N 2.76Å; Q558-A560 VanDerWaalsContact C-N 3.33Å; A560-P562 WeakPolarHBondContact O-CD 3.4Å
561K53.6Low55.3Low145 Ų145121.7 Ų121.763%0.6365%0.652SS**SBendtrans-84.2117.4169.9-81.8-173.8175.3-165.40109.5Q557 Q558 N563Q557-K561 PolarHBondContact O-N 2.85Å; Q558-K561 PolarHBondContact O-N 3Å; K561-N563 PolarHBondContact O-N 2.77Å
562P46.3Very low54.3Low118 Ų118122.7 Ų122.777%0.76666%0.661SS**  trans-69.994.4-178.928.3-34.5000111.2A560 L564A560-P562 WeakPolarHBondContact O-CD 3.4Å; P562-L564 PolarHBondContact O-N 3.12Å
563N48.4Very low53.7Low134 Ų134122.2 Ų122.272%0.71768%0.675SS**  trans-86.382.8177.654.7-6.3000111K561 G565 G566K561-N563 PolarHBondContact O-N 2.77Å; N563-G565 PolarHBondContact O-N 3.37Å; N563-G566 PolarHBondContact O-N 3.44Å
564L51.3Low52.7Low135 Ų135122.7 Ų122.771%0.70768%0.682SS**G310 helixtrans-49.8-19.6-179.2-66.2171.1000115.3P562 G566 I567P562-L564 PolarHBondContact O-N 3.12Å; L564-G566 PolarHBondContact O-N 2.9Å; L564-G566 VanDerWaalsContact O-N 3.07Å; L564-I567 PolarHBondContact O-N 2.99Å; L564-I567 VanDerWaalsContact O-N 3.13Å
565G53.1Low52.1Low61 Ų61126 Ų12663%0.62970%0.702SS**G310 helixtrans-58.4-13.5171.200000115.4N563 I567N563-G565 PolarHBondContact O-N 3.37Å; G565-I567 VanDerWaalsContact C-N 3.25Å; G565-I567 PolarHBondContact O-N 2.93Å
566G44.7Very low51.5Low63 Ų63125.8 Ų125.865%0.64971%0.708SS**G310 helixtrans-68.2-17.1171.800000115.2N563 L564N563-G566 PolarHBondContact O-N 3.44Å; L564-G566 PolarHBondContact O-N 2.9Å; L564-G566 VanDerWaalsContact O-N 3.07Å
567I52.6Low50.9Low132 Ų132126 Ų12668%0.67771%0.714SS**G310 helixtrans-82.8-21.7-178.1-73.4169.2000112.7L564 G565L564-I567 PolarHBondContact O-N 2.99Å; L564-I567 VanDerWaalsContact O-N 3.13Å; G565-I567 VanDerWaalsContact C-N 3.25Å; G565-I567 PolarHBondContact O-N 2.93Å
568L45.6Very low49.7Very low143 Ų143127.7 Ų127.775%0.74973%0.727SS**SBendtrans-1155.2-168.1-62.8178.2000115.2
569H47.2Very low48.6Very low158 Ų158130.2 Ų130.273%0.73174%0.736SS**SBendtrans-140.5113176.8-96.141.2000111.4
570P42.2Very low47.8Very low130 Ų130133.9 Ų133.984%0.84475%0.747SS**PPolyproline II helixtrans-70.4134.9-179.328.1-34000111.9
571R49.4Very low47.1Very low220 Ų220138.5 Ų138.583%0.8376%0.755SS**PPolyproline II helixtrans-101130.6169.1-82.1-171.3169.3-161.8-1.8110.5G573R571-G573 PolarHBondContact O-N 2.9Å
572P41.4Very low46.4Very low137 Ų137138.2 Ų138.289%0.8976%0.76SS**THydrogen-bonded Turntrans-57.6130175.5-24.934.3000112.3
573G53.7Low46.2Very low85 Ų85141.8 Ų141.888%0.87677%0.766SS**THydrogen-bonded Turntrans96.81.3171.600000116.9R571R571-G573 PolarHBondContact O-N 2.9Å
574V45Very low45.7Very low117 Ų117140.5 Ų140.571%0.70976%0.763SS**  trans-119.9107.7171.6-178.30000109.5
575L49.6Very low45.1Very low173 Ų173140.5 Ų140.591%0.90676%0.764SS**  trans-96.3115.8171.9-68.7173.4000109.2
576T49.1Very low44.4Very low98 Ų98144 Ų14460%0.60177%0.773SS**  trans-70.9133.3160.836.30000108.9
577K47.1Very low44.4Very low182 Ų182147.9 Ų147.979%0.79177%0.774SS**THydrogen-bonded Turntrans-62143.9174.5-158.3-170.6166.5-170.10109.1F579K577-F579 PolarHBondContact O-N 3.49Å
578D44.6Very low43.6Very low144 Ų144149 Ų14977%0.7778%0.776SS**THydrogen-bonded Turntrans73.615172.1-44.1-44.5000117.2K580D578-K580 PolarHBondContact O-N 3.02Å
579F40.1Very low43.4Very low167 Ų167148 Ų14873%0.73278%0.775SS**  trans-77110.7171.1-136.8-91.3000112K577K577-F579 PolarHBondContact O-N 3.49Å
580K46.2Very low42.9Very low189 Ų189149.3 Ų149.382%0.82278%0.775SS**  trans-104.7128.6158.3-95-169.8175-1760108.7D578D578-K580 PolarHBondContact O-N 3.02Å
581E37.8Very low42.9Very low178 Ų178147.7 Ų147.783%0.83277%0.767SS**  trans-73.5130173.6-168.5159.8-15100109.7
582L39.9Very low42.6Very low139 Ų139146 Ų14673%0.72877%0.774SS**  trans-108.9114.8173-116.774.9000107.9V584L582-V584 HydrophobicContact CB-CG2 4.47Å; L582-V584 HydrophobicContact CD2-CG2 4.35Å; L582-V584 PolarHBondContact O-N 3.41Å; L582-V584 VanDerWaalsContact O-N 3.13Å
583E41.8Very low42.6Very low192 Ų192146 Ų14690%0.89777%0.766SS**  trans-75.597.4170.1-70.1-171.1127.800109.7
584V38Very low42.6Very low107 Ų107147.7 Ų147.765%0.64876%0.755SS**  trans-146.7121.5173.3-175.40000106.5L582L582-V584 HydrophobicContact CB-CG2 4.47Å; L582-V584 HydrophobicContact CD2-CG2 4.35Å; L582-V584 PolarHBondContact O-N 3.41Å; L582-V584 VanDerWaalsContact O-N 3.13Å
585D37.2Very low42.6Very low136 Ų136150 Ų15073%0.72776%0.762SS**  cis-150.2156.63.2-131.8-26.8000110.1
586V38.8Very low42.6Very low135 Ų135150.8 Ų150.882%0.81876%0.762SS**SBendtrans-115.281.4159.4-1740000109.8
587Q44.9Very low42.2Very low143 Ų143155.1 Ų155.167%0.66878%0.775SS**  trans62.475.9142.5-167.771.963.300116.6
588H35.6Very low42.1Very low156 Ų156153.6 Ų153.672%0.72278%0.776SS**  trans-133.8127.3144.8-83.293.8000111.4Y590H588-Y590 HydrophobicContact CB-CE2 4.05Å
589V41.6Very low42Very low122 Ų122155.1 Ų155.174%0.73978%0.778SS**  trans-100.1113.5179.4175.50000108.4
590Y37.8Very low41.8Very low185 Ų185153 Ų15373%0.72578%0.781SS**  trans-92.8139169.6-70.7-82.7000110.3H588 D594H588-Y590 HydrophobicContact CB-CE2 4.05Å; Y590-D594 WeakPolarHBondContact CD1-OD2 3.18Å
591S42Very low41.1Very low97 Ų97151.3 Ų151.368%0.67878%0.781SS**  trans-107.2162.8-179.6-169.40000110N593S591-N593 PolarHBondContact O-N 2.98Å
592L41.4Very low41.3Very low184 Ų184148.3 Ų148.396%0.96378%0.777SS**THydrogen-bonded Turntrans-73.149.3-177.8-71167.3000113.1
593N43.3Very low40.9Very low138 Ų138146.8 Ų146.874%0.73878%0.778SS**THydrogen-bonded Turntrans-145.82.4-175.4-135.7119.3000114.4S591S591-N593 PolarHBondContact O-N 2.98Å
594D52Low40.3Very low120 Ų120146 Ų14664%0.64277%0.774SS**  trans-67.8142.7162-79.9-36.4000109.9Y590Y590-D594 WeakPolarHBondContact CD1-OD2 3.18Å
595L45.6Very low39.8Very low164 Ų164150.1 Ų150.186%0.85978%0.784SS**  trans-108.9147.8177.2-74.1168.3000110
596E49.2Very low39.4Very low191 Ų191149.5 Ų149.589%0.89379%0.79SS**  trans-66.8121.7171.9-179.3175.2-144.800110.3
597E41.9Very low39Very low188 Ų188147.8 Ų147.888%0.87979%0.79SS**  trans-140.9150.9165.8-95.7-171.7153.800109.6
598D44.3Very low38.2Very low151 Ų151144.5 Ų144.581%0.80779%0.787SS**  trans-85.2173.4-161.3-59.2-74.7000116.3
599E42.4Very low38Very low175 Ų175146.5 Ų146.582%0.81880%0.797SS**  trans68118.3162.9-62.5-63.988.600119.9
600P37.1Very low37.3Very low122 Ų122143.6 Ų143.679%0.79279%0.792SS**  trans-94.8103170.434.9-30.1000113.1
601D31.4Very low36.8Very low155 Ų155145.8 Ų145.883%0.82981%0.805SS**  trans-92120.1169.4-168.732.1000111.4S603D601-S603 PolarHBondContact O-N 2.85Å
602P40.2Very low36.2Very low114 Ų114144.8 Ų144.874%0.7481%0.81SS**  trans-95.3102.3-163.634.5-34.8000114.6
603S31.9Very low35.6Very low108 Ų108145.2 Ų145.276%0.75580%0.804SS**  trans-170.196.1151.3450000115.9D601D601-S603 PolarHBondContact O-N 2.85Å
604Q30.6Very low35Very low175 Ų175143.4 Ų143.482%0.81880%0.798SS**  trans-139.2116.1154.6-80.2-152.133.200114.1
605F26.4Very low34Very low193 Ų193147.5 Ų147.585%0.84681%0.806SS**  trans58.4109.7157.2-62.2-69.8000121.6
606S29.5Very low33.2Very low123 Ų123146 Ų14686%0.8680%0.799SS**  trans-101.9130.5154.2172.90000110.7
607A29.8Very low32.3Very low100 Ų100147.2 Ų147.283%0.82680%0.797SS**  trans-160.5139.1158.400000108.2
608A29.2Very low32Very low73 Ų73143.9 Ų143.960%0.60379%0.789SS**  cis-147.9161.79.800000113.3
609H30.6Very low31.4Very low199 Ų199140 Ų14092%0.92179%0.785SS**  trans67.1132.1171.1-53.2-71000117.4
610G27.2Very low30.9Very low61 Ų61139.3 Ų139.363%0.62978%0.78SS**  cis174.5161-7.100000113.8
611F27.4Very low30.5Very low230 Ų230139.8 Ų139.8100%1.00978%0.776SS**  trans69.9131.2-173.3-62.8-90.7000115.7
612G28Very low30.6Very low76 Ų76138.7 Ų138.778%0.78477%0.768SS**  trans-178.6-43.3178.200000120.4
613K30.3Very low30.2Very low194 Ų194138.4 Ų138.484%0.84377%0.768SS**  trans55.6108.4176.6-75.2-172175.1-175.20119.4
614T30.2Very low30.1Very low100 Ų100139.3 Ų139.361%0.61377%0.768SS**  56.9144.9128.261.90000121.2
615Y30.3Very low30.2Very low206 Ų206136.2 Ų136.281%0.80877%0.766SS**  cis-145.6176.926.1-83.1-73.8000113.9
616D30.4Very low30.4Very low132 Ų132131.8 Ų131.871%0.70676%0.759SS**  trans-81.1163.9-168.3-34.7-97.7000117
617Y29.8Very low30.5Very low216 Ų216132.7 Ų132.785%0.84775%0.754SS**  -168.5103.7112.3-125.1-97.7000118.4
618V35.7Very low30.5Very low119 Ų119133.6 Ų133.672%0.72175%0.745SS**  trans31.7127.7136.8-161.80000124.8
619G31.6Very low30.6Very low70 Ų70139.7 Ų139.772%0.72275%0.752SS**  trans125.6153131.500000118.6
620F30.9Very low30.6Very low160 Ų160135.9 Ų135.970%0.70274%0.743SS**  cis-168.6169.2-14.9-168.5-104000111.6I622F620-I622 HydrophobicContact CE1-CD1 4.13Å; F620-I622 HydrophobicContact CE2-CD1 4.4Å; F620-I622 HydrophobicContact CZ-CD1 3.79Å
621N29.9Very low30.7Very low132 Ų132137.3 Ų137.371%0.70675%0.749SS**  trans84.9136.4-179.4-51-69.1000116.2
622I32.9Very low30.9Very low131 Ų131131.7 Ų131.767%0.67274%0.738SS**  cis83.3125.112.3-50.7174.1000115F620F620-I622 HydrophobicContact CE1-CD1 4.13Å; F620-I622 HydrophobicContact CE2-CD1 4.4Å; F620-I622 HydrophobicContact CZ-CD1 3.79Å
623C31.1Very low31Very low109 Ų109133.6 Ų133.674%0.73674%0.739SS**  cis-167.8-162.4-17.6-97.10000107.3
624V30.4Very low31.1Very low126 Ų126129.8 Ų129.876%0.76474%0.737SS**  cis-164.6154.112.1-132.10000111.2
625S33.3Very low31.1Very low111 Ų111128.4 Ų128.478%0.77674%0.743SS**  trans69.2156.1150.2-55.20000119.9
626S29.6Very low32.4Very low100 Ų100124.2 Ų124.270%0.69974%0.741SS**  cis-161.1138.23.6-136.40000116.5
627L31.2Very low32.5Very low142 Ų142124.6 Ų124.674%0.74375%0.748SS**  trans49.3134139-96.660.4000126.8
628N31.4Very low32.6Very low119 Ų119122 Ų12264%0.63675%0.748SS**  trans73.7157.3140-77-35.6000121
629R31.5Very low33.5Very low200 Ų200121.2 Ų121.276%0.75575%0.745SS**  cis-176.7127.1-18166.5172.7-70.6-1110.8114.7
630T30.2Very low33.4Very low119 Ų119126.2 Ų126.273%0.7375%0.75SS**  trans37.2115.915365.60000125.7
631A29.8Very low33.3Very low91 Ų91123.5 Ų123.575%0.75275%0.747SS**  45.5141117.400000125.6
632S30Very low33.3Very low112 Ų112127 Ų12778%0.78376%0.756SS**  151.3130.1115-66.70000118.6
633S30.3Very low34.6Very low116 Ų116126 Ų12681%0.81176%0.758SS**  trans59.8162.5146.1128.50000121.1
634S33.3Very low34.4Very low115 Ų115127.5 Ų127.580%0.80476%0.764SS**  cis-173.7163.8-23.453.50000110.9
635G30.1Very low34.4Very low70 Ų70130 Ų13072%0.72277%0.767SS**  trans168.4152.416800000117.1
636P57.8Low35Very low118 Ų118129.9 Ų129.977%0.76676%0.763SS**  trans-141.6-177.7-151.536.7-13.7000120.2
637T30.9Very low34.9Very low140 Ų140134 Ų13486%0.85977%0.769SS**  trans106.2167.2155.968.90000122.8
638L32.6Very low34.7Very low162 Ų162133.1 Ų133.185%0.84877%0.769SS**  trans-121.3-169.5-150.6-10773.6000112.9
639P55.4Low34.5Very low102 Ų102133.5 Ų133.566%0.66278%0.776SS**  cis-139.9-178.1-42.238.2-19.3000115.5
640Q29.3Very low34.3Very low175 Ų175129.4 Ų129.482%0.81878%0.777SS**  trans155.7135.8130-84.4-160.5-11.600119.9
641T27.8Very low34.3Very low104 Ų104133.2 Ų133.264%0.63878%0.783SS**  trans51.6106.114263.10000127.4
642F30Very low34.2Very low204 Ų204135 Ų13590%0.89579%0.785SS**  61.8159.6112.4-68.5-48.6000126
643P60.7Low34.1Very low110 Ų110137.7 Ų137.771%0.71479%0.789SS**  trans-135.6-174.4-144.545.8-28.2000118.3
644T26.5Very low33.9Very low141 Ų141137.4 Ų137.487%0.86579%0.788SS**  trans-154.4154.5164.4-42.30000113.7
645H30.8Very low34.7Very low179 Ų179137.6 Ų137.683%0.82979%0.786SS**  trans-95.1-158.6174-58.9-84.9000111.2
646P45.9Very low35Very low108 Ų108140.3 Ų140.370%0.70179%0.791SS**  cis-150.1-170.3-1.347.7-27.3000119.5
647K27.5Very low33.8Very low188 Ų188139.7 Ų139.782%0.81779%0.789SS**  trans84105.1145.7-80.4172.7-178.5177.10124.4
648T27.8Very low34.5Very low122 Ų122138 Ų13875%0.74878%0.781SS**  59.3128.8115.4-33.10000123.1
649T26Very low34.3Very low128 Ų128137 Ų13779%0.78578%0.775SS**  159.2144.3114.6-61.70000113.6
650C28.1Very low32.9Very low114 Ų114138.9 Ų138.977%0.7778%0.779SS**  trans-113.3152178.2-41.60000113.2
651K30.6Very low32.7Very low198 Ų198136.3 Ų136.386%0.86178%0.776SS**  trans174.8126.1145-95.6153.2-174.1-179.10109.7
652V27.7Very low32.7Very low129 Ų129138.3 Ų138.378%0.78278%0.782SS**  81.110467.7170.60000113.9
653L26.3Very low32.5Very low168 Ų168135 Ų13588%0.8878%0.777SS**  trans-178.6172130.8-98.9168.7000111.5
654S27.7Very low30.7Very low111 Ų111135.5 Ų135.578%0.77678%0.782SS**  trans-117.6-160-157.9-35.40000114.4
655P50Low30.7Very low119 Ų119134.4 Ų134.477%0.77378%0.78SS**  trans-99.7-175.2-139.147.2-40.4000114.8
656P35.5Very low30.5Very low126 Ų126132 Ų13282%0.81877%0.773SS**  -146.9178.986.140.3-22.6000116.2
657S32.6Very low29.6Very low105 Ų105137 Ų13773%0.73478%0.778SS**  trans-92.7-166.8166.562.10000110.4
658P45.7Very low29.5Very low106 Ų106133.3 Ų133.369%0.68878%0.776SS**  cis-139-150.5231.3-4.2000114.2
659I29.4Very low29.4Very low139 Ų139136.3 Ų136.371%0.71378%0.779SS**  trans107.399.1155.9-65.3162.4000118.6
660D24.4Very low29.3Very low142 Ų142136 Ų13676%0.75978%0.782SS**  73.1139.9127.8-65.3-1000127.7
661V25.9Very low29.3Very low122 Ų122138.4 Ų138.474%0.73979%0.786SS**  trans93.9119.2135.2155.40000122
662L27.6Very low30.4Very low146 Ų146134.3 Ų134.376%0.76478%0.78SS**  trans-0.5133.3150.9-61.6148000119.5
663V26.1Very low31.4Very low133 Ų133133.1 Ų133.181%0.80678%0.775SS**  -143.9125.3115.9178.30000110.1
664C23.3Very low31.5Very low121 Ų121132.7 Ų132.782%0.81877%0.768SS**  trans-107.3129.7152.1-66.40000108
665S25.2Very low31.6Very low118 Ų118137.6 Ų137.683%0.82577%0.769SS**  trans-97.5168.4-178.8-160.90000112.7
666L27.5Very low30.5Very low129 Ų129136.5 Ų136.568%0.67576%0.757SS**  trans-123.4129.5-154.2-78163.1000114.9
667R27.4Very low30.2Very low214 Ų214134 Ų13481%0.80875%0.754SS**  trans67.7172.6148.3-55.3171.6178.3174.5-0.7114.6
668S24.7Very low30.1Very low109 Ų109137 Ų13776%0.76276%0.757SS**  cis-147.3159.417.3-53.70000115.7
669F25.4Very low29.4Very low186 Ų186139.8 Ų139.882%0.81676%0.76SS**  trans-41.9160.4169.7-69.2-101.1000119.3
670S24Very low29.4Very low122 Ų122139.8 Ų139.885%0.85377%0.766SS**  trans-158.8134.7141.5-78.10000112.6
671L29.2Very low29.7Very low164 Ų164138.3 Ų138.386%0.85977%0.767SS**  trans-169.5172.7177.9-84.8-177.2000108.1
672P54.2Low29.7Very low112 Ų112136.5 Ų136.573%0.72777%0.765SS**  cis-117.6-146.9-38.835.1-14.2000108.9
673P47.7Very low29.7Very low104 Ų104134.9 Ų134.968%0.67577%0.766SS**  -156.4162.162.642.3-20.9000119.8
674H27.9Very low29.8Very low158 Ų158133.8 Ų133.873%0.73176%0.764SS**  trans59.5154.8148.3-90.7-58.2000120.6D676H674-D676 IonicContact CE1-OD1 3.31Å; H674-D676 PolarHBondContact CE1-OD1 3.29Å; H674-D676 IonicContact CE1-OD2 2.64Å; H674-D676 IonicContact ND1-OD1 3.63Å; H674-D676 PolarHBondContact ND1-OD1 3.47Å; H674-D676 IonicContact ND1-OD2 3.64Å; H674-D676 PolarHBondContact ND1-OD2 3.03Å
675R29.6Very low30Very low214 Ų214133.5 Ų133.581%0.80876%0.764SS**  cis-140.5178.85.6-66.2-162.374.7-154.9-9.8110.5
676D26.7Very low30.2Very low96 Ų96132.9 Ų132.951%0.51376%0.759SS.*  cis-171.7147.1-42.5-82.2-11.3000108.1H674H674-D676 IonicContact CE1-OD1 3.31Å; H674-D676 PolarHBondContact CE1-OD1 3.29Å; H674-D676 IonicContact CE1-OD2 2.64Å; H674-D676 IonicContact ND1-OD1 3.63Å; H674-D676 PolarHBondContact ND1-OD1 3.47Å; H674-D676 IonicContact ND1-OD2 3.64Å; H674-D676 PolarHBondContact ND1-OD2 3.03Å
677G30.3Very low30.2Very low74 Ų74132.5 Ų132.576%0.76376%0.762SS**  trans95148.616200000117.7
678E30.1Very low30.3Very low168 Ų168129 Ų12979%0.78576%0.759SS**  cis-151.71490.2-79.1-166.2152.400112.6
679H30.6Very low30.4Very low164 Ų164133.2 Ų133.276%0.75977%0.766SS**  trans40.6147.4149-54.5-54.3000122.6
680V30.3Very low30.4Very low140 Ų140132 Ų13285%0.84876%0.762SS**  cis-141.915820.2-174.90000112.2
681S30.3Very low30.3Very low111 Ų111135.8 Ų135.878%0.77676%0.764SS**  trans-67.7-176172.2-44.70000114.7
682A26.2Very low30.2Very low83 Ų83135.2 Ų135.269%0.68676%0.757SS**  cis-155.6147.219.100000111.7
683S27.8Very low28.9Very low113 Ų113138 Ų13879%0.7976%0.76SS**  61.713699.5-44.70000115.8
684S27.8Very low27.9Very low110 Ų110137.8 Ų137.877%0.76976%0.761SS**  cis-151.3150.232-53.50000111.6
685S27.2Very low27.7Very low115 Ų115135.6 Ų135.680%0.80476%0.763SS**  55.4138.890.2-138.60000114.8
686S29.3Very low27.6Very low104 Ų104133.4 Ų133.473%0.72777%0.767SS**  cis-167.9171.720.483.70000109.7
687V27.9Very low27.7Very low122 Ų122133.5 Ų133.574%0.73978%0.781SS**  cis-165.7165.6-6.3104.50000111.7
688L28.4Very low27.5Very low141 Ų141136 Ų13674%0.73879%0.787SS**  trans0.5140.2164-60.2164.5000122.7
689Q27.6Very low27.4Very low196 Ų196132.6 Ų132.692%0.91679%0.788SS**  -163150.299.7-104.2-178.720.600114.2
690H24.8Very low27.5Very low160 Ų160129.8 Ų129.874%0.74179%0.793SS**  trans-108.9150173.1-94.7-83.9000110.2
691F22.9Very low27.5Very low203 Ų203126.2 Ų126.289%0.8978%0.784SS**  trans-155.8-174.1137-113.1-71.2000111.3
692H26.4Very low27.7Very low152 Ų152126 Ų12670%0.70479%0.789SS**  trans-112.3157.4-148.3-97.9-117.9000117.2
693Q27.4Very low28.3Very low169 Ų169128.4 Ų128.479%0.7980%0.795SS**  trans99138.8133.9-105.3171.5-32.600123.6
694S25.4Very low28.9Very low101 Ų101127.3 Ų127.371%0.70679%0.793SS**  trans85.788.1143.7-59.40000121.8
695S25.1Very low29.8Very low111 Ų111126.5 Ų126.578%0.77679%0.787SS**  28.6115.4123.6172.80000120.1
696L26.7Very low31Very low168 Ų168127.4 Ų127.488%0.8878%0.783SS**  -162.5168.6100.4-158.357.3000110.2
697A28.9Very low32.6Very low98 Ų98124.9 Ų124.981%0.8177%0.773SS**  trans-80.2147.3-178.700000113.7
698S26.4Very low33.8Very low128 Ų128124.7 Ų124.790%0.89577%0.767SS**  trans-154.9164.1159.1-163.50000112
699A28.8Very low34.9Very low96 Ų96123.6 Ų123.679%0.79376%0.761SS**  trans-53137.5-164.600000118
700A31.5Very low36.3Very low105 Ų105120.8 Ų120.887%0.86875%0.748SS**  trans-120152.413600000107.1
701G29.7Very low38Very low65 Ų65117.8 Ų117.867%0.6774%0.737SS**  cis-169.9146.6-5.700000107.6
702A35Very low39.6Very low107 Ų107112.1 Ų112.188%0.88472%0.716SS**  trans-75.2129.9-158.400000115.6
703T38.4Very low41.1Very low132 Ų132112.4 Ų112.481%0.8172%0.717SS**  trans-137.718.5168.454.10000113.4
704A41.2Very low42.6Very low91 Ų91111.6 Ų111.675%0.75271%0.714SS**  trans-92.29.1-167.800000116.2
705S45.9Very low44.2Very low92 Ų92113.8 Ų113.864%0.64371%0.712SS**Hα-helixtrans-80.1-24.5-169.448.60000115.7
706L53.8Low45.1Very low135 Ų135111.3 Ų111.371%0.70770%0.704SS**Hα-helixtrans-75.3-41.2-172-68.3172000113.8L708 L709 Q710L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.23Å; L706-L709 WeakPolarHBondContact O-CB 3.49Å; L706-L709 PolarHBondContact O-N 3.01Å; L706-Q710 PolarHBondContact O-N 3.19Å
707G62.8Low45.8Very low50 Ų50109.3 Ų109.352%0.51569%0.693SS.*Hα-helixtrans-64.8-34.5-176.400000113.9Q710 L711G707-Q710 PolarHBondContact O-N 2.67Å; G707-L711 PolarHBondContact O-N 2.95Å
708L53.5Low46.2Very low118 Ų118110.2 Ų110.262%0.61869%0.693SS**Hα-helixtrans-71.4-33.8179.2-161.6149.1000111.7L706 L711 L712L706-L708 VanDerWaalsContact C-N 3.33Å; L706-L708 PolarHBondContact O-N 3.23Å; L708-L711 PolarHBondContact O-N 2.74Å; L708-L712 HydrophobicContact CD2-CD1 3.8Å; L708-L712 HydrophobicContact CD2-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 2.84Å
709L50.9Low46.4Very low118 Ų118108.6 Ų108.662%0.61869%0.688SS**Hα-helixtrans-66.5-40.8176.1-138.8164.1000111.3L706 L712 Q713L706-L709 WeakPolarHBondContact O-CB 3.49Å; L706-L709 PolarHBondContact O-N 3.01Å; L709-L712 PolarHBondContact O-N 2.84Å; L709-Q713 PolarHBondContact O-N 3.34Å
710Q57.7Low46.5Very low137 Ų137109 Ų10964%0.6469%0.685SS**Hα-helixtrans-66.1-38.7176.7-167.7126.97.300112.8L706 G707 Q713 Q714L706-Q710 PolarHBondContact O-N 3.19Å; G707-Q710 PolarHBondContact O-N 2.67Å; Q710-Q713 PolarHBondContact O-N 2.8Å; Q710-Q714 PolarHBondContact O-N 3.34Å
711L59.1Low46.5Very low97 Ų97110.3 Ų110.351%0.50868%0.682SS.*Hα-helixtrans-64.6-43.1176.2-98.8163.6000112.7G707 L708 Q713 Q714 H715G707-L711 PolarHBondContact O-N 2.95Å; L708-L711 PolarHBondContact O-N 2.74Å; L711-Q713 VanDerWaalsContact C-N 3.28Å; L711-Q713 PolarHBondContact O-N 2.83Å; L711-Q714 PolarHBondContact O-N 2.94Å; L711-H715 PolarHBondContact O-CD2 3.44Å; L711-H715 PolarHBondContact O-N 2.73Å
712L56.6Low46.5Very low85 Ų85114.1 Ų114.145%0.44569%0.687SS.*Hα-helixtrans-61.4-36.6178.3-73.2170.4000112.3L708 L709 H715L708-L712 HydrophobicContact CD2-CD1 3.8Å; L708-L712 HydrophobicContact CD2-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.47Å; L708-L712 PolarHBondContact O-N 2.84Å; L709-L712 PolarHBondContact O-N 2.84Å; L712-H715 PolarHBondContact O-N 3.29Å
713Q57.8Low46.5Very low157 Ų157114.1 Ų114.173%0.73468%0.679SS**Hα-helixtrans-69.5-36.3177.4-164.9172.716.500112.5L709 Q710 L711 H715 G716L709-Q713 PolarHBondContact O-N 3.34Å; Q710-Q713 PolarHBondContact O-N 2.8Å; L711-Q713 VanDerWaalsContact C-N 3.28Å; L711-Q713 PolarHBondContact O-N 2.83Å; Q713-H715 VanDerWaalsContact C-N 3.29Å; Q713-H715 PolarHBondContact O-N 2.88Å; Q713-G716 PolarHBondContact O-N 2.8Å
714Q60.2Low46.1Very low153 Ų153118.2 Ų118.272%0.71568%0.681SS**Hα-helixtrans-67.8-25.9175.1-75.1-171.8-22.800113.5Q710 L711Q710-Q714 PolarHBondContact O-N 3.34Å; L711-Q714 PolarHBondContact O-N 2.94Å
715H59.1Low45.6Very low147 Ų147119.7 Ų119.768%0.68169%0.686SS**THydrogen-bonded Turntrans-89.78177.9-77.4-70.4000114.8L711 L712 Q713 I717L711-H715 PolarHBondContact O-CD2 3.44Å; L711-H715 PolarHBondContact O-N 2.73Å; L712-H715 PolarHBondContact O-N 3.29Å; Q713-H715 VanDerWaalsContact C-N 3.29Å; Q713-H715 PolarHBondContact O-N 2.88Å; H715-I717 PolarHBondContact O-N 2.65Å
716G43.2Very low44.7Very low59 Ų59122.4 Ų122.461%0.60869%0.693SS**THydrogen-bonded Turntrans77.318.9167.900000115.9Q713 S718Q713-G716 PolarHBondContact O-N 2.8Å; G716-S718 PolarHBondContact O-N 2.77Å
717I42.2Very low43.6Very low125 Ų125123.8 Ų123.864%0.64170%0.7SS**  trans-9087.3176.3-54.8179.5000109.3H715 A719H715-I717 PolarHBondContact O-N 2.65Å; I717-A719 PolarHBondContact O-N 2.93Å
718S37Very low42Very low117 Ų117130.1 Ų130.182%0.81872%0.716SS**  trans-79.9110178-61.90000112.2G716G716-S718 PolarHBondContact O-N 2.77Å
719A30.8Very low40.7Very low95 Ų95136 Ų13679%0.78573%0.732SS**  trans-84.3110.5162.100000109.4I717I717-A719 PolarHBondContact O-N 2.93Å
720S29.3Very low39.7Very low105 Ų105134.3 Ų134.373%0.73474%0.735SS**  trans-80.2124.8178.9-161.40000111.2
721T32.7Very low38.4Very low131 Ų131134 Ų13480%0.80475%0.745SS**  trans-100.477.6176.253.30000111.2
722D28.8Very low36.9Very low145 Ų145136.4 Ų136.478%0.77576%0.764SS**  trans-12998.1171.2-88.7-48.8000110.2
723P34.9Very low35.6Very low108 Ų108136.3 Ų136.370%0.70178%0.776SS**  trans-86.7126176.932.9-31.6000111.9
724Y30.4Very low34.5Very low218 Ų218135 Ų13586%0.85578%0.78SS**  trans71.595.9169-55.1-73.4000118.6
725S30.3Very low33.6Very low122 Ų122133.3 Ų133.385%0.85378%0.783SS**  trans-137.978.1143.3-80.50000110.1
726N28.7Very low32.1Very low149 Ų149135.3 Ų135.380%0.79779%0.792SS**  trans-153.3119.5162.2-107.6-49.5000113.8
727L29.7Very low31.7Very low164 Ų164137.5 Ų137.586%0.85980%0.796SS**  trans5.4138.8157.2-65.1162.6000121.2
728Q28.4Very low31.4Very low182 Ų182137.4 Ų137.485%0.8580%0.803SS**  trans-66.7148.7173.9-59.2159.1-34.600113.1
729Y27.8Very low31.2Very low241 Ų241137.7 Ų137.795%0.94580%0.803SS**  trans-139.1133.6141.1-106.8-85000109.3
730A28.2Very low31Very low84 Ų84145 Ų14569%0.69481%0.81SS**  trans-116.2148.2-179.200000110.8
731P31.3Very low30.9Very low131 Ų131146.7 Ų146.785%0.85182%0.816SS**  trans-77.1144.7179.131.4-34.7000112.7
732T27.6Very low30.6Very low146 Ų146145.4 Ų145.490%0.89681%0.813SS**  trans-81.7145.2-173.8-43.60000113.4
733A30Very low30.5Very low84 Ų84145 Ų14569%0.69482%0.815SS**  trans-129153.2169.700000111.7
734P34.1Very low30.2Very low128 Ų128144.7 Ų144.783%0.83182%0.822SS**  trans-79.3166.6-174.131.5-35.7000115
735P40.6Very low30.2Very low118 Ų118143.7 Ų143.777%0.76682%0.822SS**  trans-116.2158.2-150.540.9-34000117.6
736Q28.2Very low30.2Very low189 Ų189146.8 Ų146.888%0.88382%0.823SS**  trans166.4169.3144.2-98.3-173.74700110.4
737P34.4Very low30.2Very low105 Ų105146.5 Ų146.568%0.68283%0.827SS**  cis-125.9174.6-43.337.8-22.2000112.3
738P36.9Very low30.2Very low123 Ų123148.1 Ų148.180%0.79983%0.83SS**  trans-102.1148.1-165.237-35.1000117.4
739P31.2Very low30.2Very low124 Ų124143.2 Ų143.281%0.80583%0.828SS**  trans-103.7109.5167.335.3-28.1000114.6
740R26.8Very low30.4Very low249 Ų249143 Ų14394%0.9483%0.826SS**  trans18.6141144.2-56.3-178.2-178.3-160.7-2.3121.9
741T27.5Very low30.6Very low139 Ų139143.8 Ų143.885%0.85383%0.826SS**  trans-97.2147.5173.546.10000114.4
742S27Very low30.5Very low105 Ų105143.2 Ų143.273%0.73483%0.826SS**  trans-167.697.8158.855.60000110.3
743T26.9Very low31.1Very low135 Ų135141.8 Ų141.883%0.82882%0.821SS**  56.9106.491.463.30000116.8
744A28Very low31.2Very low102 Ų102142.9 Ų142.984%0.84382%0.824SS**  -178.1126.3121.800000115.4
745K29.9Very low31.2Very low198 Ų198144.3 Ų144.386%0.86183%0.825SS**  trans15.5126.7148.2-60.3-177.1176.6-177.80122.9
746Q31.5Very low31Very low186 Ų186146.9 Ų146.987%0.86983%0.826SS**  trans4.6133.7133.1-63.9172.2-33.400120.4
747T27.5Very low31.4Very low144 Ų144143.5 Ų143.588%0.88382%0.824SS**  trans-149.1146.4130.4-24.20000110.3
748E30.7Very low31.8Very low197 Ų197148.8 Ų148.892%0.92183%0.83SS**  trans-85.8143.6168.3-62.3179.9128.300110.5
749G28Very low32.3Very low79 Ų79146.2 Ų146.281%0.81483%0.826SS**  trans-166.665.3-167.300000116.8
750R32.6Very low33.5Very low236 Ų236144.4 Ų144.489%0.89182%0.816SS**  trans-11.2119.9165.2-149.5-172.7-175.7-168.6-0118.7
751S32.3Very low35.1Very low101 Ų101134.6 Ų134.671%0.70679%0.786SS**  trans51.4109.7145.865.30000121.4
752S29.1Very low37.2Very low120 Ų120133 Ų13384%0.83977%0.772SS**  trans-158.5168.5134.249.70000110.9
753S39.6Very low39.9Very low115 Ų115130 Ų13080%0.80475%0.745SS**  trans-55.2136.5-174.646.60000115.2
754S31.7Very low42.6Very low107 Ų107127 Ų12775%0.74873%0.731SS**  trans-117.2114.8154.647.60000109.8Q756S754-Q756 PolarHBondContact O-N 3.01Å
755D34.4Very low45.2Very low159 Ų159128.4 Ų128.485%0.8572%0.723SS**  trans-61.1124163.8-83.6-57.9000108.8S757D755-S757 PolarHBondContact O-N 2.91Å
756Q36.1Very low47.9Very low171 Ų171122.8 Ų122.880%0.79970%0.703SS**  trans-76.4102.8166.7-70.1-174.76.400108S754 R758S754-Q756 PolarHBondContact O-N 3.01Å; Q756-R758 HydrophobicContact CB-CG 4.44Å; Q756-R758 PolarHBondContact O-N 3.25Å
757S37.4Very low50.6Low119 Ų119117.3 Ų117.383%0.83268%0.679SS**  trans-64.778.8158.646.60000109D755 G759D755-S757 PolarHBondContact O-N 2.91Å; S757-G759 PolarHBondContact O-N 2.81Å
758R42.3Very low53.4Low215 Ų215110.8 Ų110.881%0.81164%0.639SS**  trans-57.4105.9167.7-68.2173.981.1-1786.4106.6Q756 S760Q756-R758 HydrophobicContact CB-CG 4.44Å; Q756-R758 PolarHBondContact O-N 3.25Å; R758-S760 PolarHBondContact O-N 3.28Å
759G48.6Very low56Low70 Ų70107.3 Ų107.372%0.72262%0.623SS**  trans-55.1111.8160.100000106.7S757 S761S757-G759 PolarHBondContact O-N 2.81Å; G759-S761 PolarHBondContact O-N 3.41Å
760S55.7Low58.8Low85 Ų85109 Ų10959%0.59461%0.608SS**  trans-71.996-174.652.50000108.8R758 L762 G786R758-S760 PolarHBondContact O-N 3.28Å; S760-L762 PolarHBondContact O-N 3.12Å; S760-L762 VanDerWaalsContact O-N 3.16Å; S760-G786 WeakPolarHBondContact O-CA 3.49Å
761S60.9Low61.3Low44 Ų4498.8 Ų98.831%0.30857%0.57SS.*  trans-45.4120.2160.8-178.30000108G759 F763 G783G759-S761 PolarHBondContact O-N 3.41Å; S761-F763 WeakPolarHBondContact CB-O 3.29Å; S761-F763 PolarHBondContact O-N 3.46Å; S761-F763 PolarHBondContact OG-O 3.19Å; S761-G783 CarbonylContact C-O 3.56Å; S761-G783 PolarHBondContact OG-O 3.33Å
762L71.4Confident63.9Low106 Ų10698 Ų9856%0.55556%0.556SS**SBendtrans-67.4-30.8-179-64.7171.5000110.1S760 G783S760-L762 PolarHBondContact O-N 3.12Å; S760-L762 VanDerWaalsContact O-N 3.16Å; L762-G783 PolarHBondContact N-O 2.84Å
763F82.9Confident66.5Low40 Ų4096.9 Ų96.918%0.17555%0.548CS..SBendtrans-93.7144.2172.3-61.7-10.3000111.5L216 S761 L767 V768 L771 V779 G783L216-F763 HydrophobicContact CD1-CZ 4.19Å; L216-F763 HydrophobicContact CD2-CE1 4.46Å; L216-F763 HydrophobicContact CD2-CZ 3.87Å; S761-F763 WeakPolarHBondContact CB-O 3.29Å; S761-F763 PolarHBondContact O-N 3.46Å; S761-F763 PolarHBondContact OG-O 3.19Å; F763-L767 HydrophobicContact CB-CB 4.31Å; F763-L767 HydrophobicContact CB-CD2 3.88Å; F763-L767 HydrophobicContact CB-CG 4.16Å; F763-L767 HydrophobicContact CD1-CD2 3.79Å; F763-L767 HydrophobicContact CD2-CD2 4.22Å; F763-L767 HydrophobicContact CD2-CG 4.32Å; F763-L767 HydrophobicContact CE1-CD2 4.45Å; F763-L767 HydrophobicContact CG-CD2 3.68Å; F763-L767 HydrophobicContact CG-CG 4.16Å; F763-V768 HydrophobicContact CB-CG2 3.74Å; F763-V768 HydrophobicContact CD2-CG2 4.48Å; F763-L771 HydrophobicContact CD2-CD1 3.51Å; F763-L771 HydrophobicContact CE2-CD1 3.5Å; F763-V779 HydrophobicContact CE2-CG1 4.21Å; F763-V779 WeakPolarHBondContact CE2-O 3.29Å; F763-G783 PolarHBondContact N-O 3.23Å
764S84.3Confident68.5Low74 Ų7497 Ų9752%0.51754%0.539SS..  trans-66.1151.4166.971.60000110.3N766 L767 V768S764-N766 PolarHBondContact O-N 3.34Å; S764-L767 WeakPolarHBondContact O-CB 3.5Å; S764-L767 PolarHBondContact O-N 3.04Å; S764-L767 WeakPolarHBondContact OG-CB 3.43Å; S764-L767 PolarHBondContact OG-N 3.11Å; S764-V768 WeakPolarHBondContact O-CG2 3.5Å; S764-V768 PolarHBondContact O-N 2.89Å
765L83.3Confident70.8Confident130 Ų13093.4 Ų93.468%0.68152%0.518SS*.Hα-helixtrans-59-31.6-179.7-65.8174.9000112.5V768 E769L765-V768 PolarHBondContact O-N 3.08Å; L765-E769 VanDerWaalsContact O-CB 3.27Å; L765-E769 WeakPolarHBondContact O-CB 3.46Å; L765-E769 PolarHBondContact O-N 3.34Å
766N86.7Confident73.2Confident81 Ų8186.6 Ų86.643%0.43348%0.482SS..Hα-helixtrans-71-31.8175.3-168.1-104.1000112.9S764 K770S764-N766 PolarHBondContact O-N 3.34Å; N766-K770 WeakPolarHBondContact O-CB 3.44Å; N766-K770 VanDerWaalsContact O-CG 3.29Å; N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.36Å; N766-K770 VanDerWaalsContact OD1-CE 3.29Å; N766-K770 WeakPolarHBondContact OD1-CE 3.42Å; N766-K770 PolarHBondContact OD1-NZ 3.29Å
767L87.2Confident75.5Confident71 Ų7183.6 Ų83.637%0.37247%0.468SS..Hα-helixtrans-71.3-43.2171.9176.858.7000110.7F763 S764 E769 K770 L771F763-L767 HydrophobicContact CB-CB 4.31Å; F763-L767 HydrophobicContact CB-CD2 3.88Å; F763-L767 HydrophobicContact CB-CG 4.16Å; F763-L767 HydrophobicContact CD1-CD2 3.79Å; F763-L767 HydrophobicContact CD2-CD2 4.22Å; F763-L767 HydrophobicContact CD2-CG 4.32Å; F763-L767 HydrophobicContact CE1-CD2 4.45Å; F763-L767 HydrophobicContact CG-CD2 3.68Å; F763-L767 HydrophobicContact CG-CG 4.16Å; S764-L767 WeakPolarHBondContact O-CB 3.5Å; S764-L767 PolarHBondContact O-N 3.04Å; S764-L767 WeakPolarHBondContact OG-CB 3.43Å; S764-L767 PolarHBondContact OG-N 3.11Å; L767-E769 PolarHBondContact O-N 3.32Å; L767-K770 PolarHBondContact O-N 3.21Å; L767-L771 HydrophobicContact CD1-CD1 4.13Å; L767-L771 HydrophobicContact CD1-CG 4.12Å; L767-L771 HydrophobicContact CG-CD1 4Å; L767-L771 HydrophobicContact CG-CG 4.46Å; L767-L771 WeakPolarHBondContact O-CB 3.31Å; L767-L771 VanDerWaalsContact O-CG 3.25Å; L767-L771 WeakPolarHBondContact O-CG 3.3Å; L767-L771 PolarHBondContact O-N 2.7Å
768V85.9Confident77.8Confident7 Ų783 Ų834%0.04245%0.447CS..Hα-helixtrans-56.7-48.5173.3171.40000111F763 S764 L765 L771 Q772 A780 M784F763-V768 HydrophobicContact CB-CG2 3.74Å; F763-V768 HydrophobicContact CD2-CG2 4.48Å; S764-V768 WeakPolarHBondContact O-CG2 3.5Å; S764-V768 PolarHBondContact O-N 2.89Å; L765-V768 PolarHBondContact O-N 3.08Å; V768-L771 PolarHBondContact O-N 3.41Å; V768-Q772 VanDerWaalsContact O-CG 3.3Å; V768-Q772 WeakPolarHBondContact O-CG 3.3Å; V768-Q772 PolarHBondContact O-N 2.62Å; V768-A780 HydrophobicContact CG1-CB 4.22Å; V768-M784 HydrophobicContact CG1-CG 4.01Å; V768-M784 HydrophobicContact CG1-SD 3.55Å; V768-M784 VanDerWaalsContact CG1-SD 3.55Å; V768-M784 HydrophobicContact CG2-CG 3.75Å; V768-M784 HydrophobicContact CG2-SD 4.41Å
769E85.8Confident79.8Confident124 Ų12472.9 Ų72.958%0.57941%0.409SS*.Hα-helixtrans-60.6-44.6177.6-176.5176.5-151.800112L765 L767 Q772 S773L765-E769 VanDerWaalsContact O-CB 3.27Å; L765-E769 WeakPolarHBondContact O-CB 3.46Å; L765-E769 PolarHBondContact O-N 3.34Å; L767-E769 PolarHBondContact O-N 3.32Å; E769-Q772 PolarHBondContact O-N 3.05Å; E769-S773 PolarHBondContact O-N 2.8Å
770K87Confident81.5Confident115 Ų11569.5 Ų69.550%0.538%0.375SS..Hα-helixtrans-63.5-43.3175.1-79.1169174.2161.30113N766 L767 Q772 S773 L774N766-K770 WeakPolarHBondContact O-CB 3.44Å; N766-K770 VanDerWaalsContact O-CG 3.29Å; N766-K770 WeakPolarHBondContact O-CG 3.43Å; N766-K770 PolarHBondContact O-N 3.36Å; N766-K770 VanDerWaalsContact OD1-CE 3.29Å; N766-K770 WeakPolarHBondContact OD1-CE 3.42Å; N766-K770 PolarHBondContact OD1-NZ 3.29Å; L767-K770 PolarHBondContact O-N 3.21Å; K770-Q772 VanDerWaalsContact C-N 3.33Å; K770-Q772 PolarHBondContact O-N 3.18Å; K770-S773 WeakPolarHBondContact CA-OG 3.15Å; K770-S773 PolarHBondContact O-N 2.92Å; K770-S773 PolarHBondContact O-OG 3.37Å; K770-L774 VanDerWaalsContact O-CG 3.3Å; K770-L774 WeakPolarHBondContact O-CG 3.48Å; K770-L774 PolarHBondContact O-N 2.88Å
771L85.3Confident82.9Confident21 Ų2167.3 Ų67.311%0.1136%0.361CS..Hα-helixtrans-61.4-43.8176.1-72.3167.2000110.5F763 L767 V768 L774 G775 L776 V779 A780F763-L771 HydrophobicContact CD2-CD1 3.51Å; F763-L771 HydrophobicContact CE2-CD1 3.5Å; L767-L771 HydrophobicContact CD1-CD1 4.13Å; L767-L771 HydrophobicContact CD1-CG 4.12Å; L767-L771 HydrophobicContact CG-CD1 4Å; L767-L771 HydrophobicContact CG-CG 4.46Å; L767-L771 WeakPolarHBondContact O-CB 3.31Å; L767-L771 VanDerWaalsContact O-CG 3.25Å; L767-L771 WeakPolarHBondContact O-CG 3.3Å; L767-L771 PolarHBondContact O-N 2.7Å; V768-L771 PolarHBondContact O-N 3.41Å; L771-L774 CarbonylContact O-C 3.57Å; L771-L774 PolarHBondContact O-N 2.99Å; L771-L774 VanDerWaalsContact O-N 3.16Å; L771-G775 PolarHBondContact O-N 3.4Å; L771-L776 HydrophobicContact CB-CB 4.27Å; L771-L776 HydrophobicContact CD2-CB 4.21Å; L771-L776 HydrophobicContact CD2-CD1 3.79Å; L771-L776 WeakPolarHBondContact O-CA 3.39Å; L771-L776 WeakPolarHBondContact O-CB 3.48Å; L771-L776 PolarHBondContact O-N 3.39Å; L771-V779 HydrophobicContact CD1-CG1 4.02Å; L771-V779 HydrophobicContact CD2-CG1 4.04Å; L771-A780 HydrophobicContact CB-CB 3.89Å
772Q85.9Confident83.9Confident85 Ų8569.7 Ų69.740%0.39736%0.364SS..Hα-helixtrans-64.4-38.3174.5-68.7175.38.500112.6V768 E769 K770 L774 G775 H777 A780V768-Q772 VanDerWaalsContact O-CG 3.3Å; V768-Q772 WeakPolarHBondContact O-CG 3.3Å; V768-Q772 PolarHBondContact O-N 2.62Å; E769-Q772 PolarHBondContact O-N 3.05Å; K770-Q772 VanDerWaalsContact C-N 3.33Å; K770-Q772 PolarHBondContact O-N 3.18Å; Q772-L774 PolarHBondContact O-N 3.31Å; Q772-G775 PolarHBondContact O-N 3.12Å; Q772-H777 PolarHBondContact O-CE1 3.43Å; Q772-H777 VanDerWaalsContact O-CE1 3.28Å; Q772-A780 HydrophobicContact CG-CB 3.64Å
773S83.8Confident84.2Confident96 Ų9664.8 Ų64.867%0.67134%0.338SS*.Hα-helixtrans-68.6-19.8174.769.90000113.8E769 K770E769-S773 PolarHBondContact O-N 2.8Å; K770-S773 WeakPolarHBondContact CA-OG 3.15Å; K770-S773 PolarHBondContact O-N 2.92Å; K770-S773 PolarHBondContact O-OG 3.37Å
774L81.1Confident84.1Confident118 Ų11867.3 Ų67.362%0.61835%0.352SS*.THydrogen-bonded Turntrans-91.85.6172.4-66.1169.3000112.8K770 L771 Q772 L776K770-L774 VanDerWaalsContact O-CG 3.3Å; K770-L774 WeakPolarHBondContact O-CG 3.48Å; K770-L774 PolarHBondContact O-N 2.88Å; L771-L774 CarbonylContact O-C 3.57Å; L771-L774 PolarHBondContact O-N 2.99Å; L771-L774 VanDerWaalsContact O-N 3.16Å; Q772-L774 PolarHBondContact O-N 3.31Å; L774-L776 VanDerWaalsContact C-N 3.27Å; L774-L776 HydrophobicContact CB-CD1 4.37Å; L774-L776 HydrophobicContact CB-CG 4.25Å; L774-L776 PolarHBondContact O-N 2.98Å
775G80Confident83.6Confident31 Ų3170.7 Ų70.732%0.3236%0.361SS..THydrogen-bonded Turntrans77.64.5-178.500000115.2L771 Q772 H777L771-G775 PolarHBondContact O-N 3.4Å; Q772-G775 PolarHBondContact O-N 3.12Å; G775-H777 PolarHBondContact O-CD2 2.85Å; G775-H777 VanDerWaalsContact O-CD2 3.24Å; G775-H777 PolarHBondContact O-N 2.87Å
776L85.1Confident82.5Confident16 Ų1665.5 Ų65.58%0.08434%0.34CS..  trans-85.961-177-55.1179000110.9E223 L224 L771 L774 V779 A780E223-L776 HydrophobicContact CB-CD2 3.73Å; E223-L776 VanDerWaalsContact OE2-CA 3.23Å; E223-L776 WeakPolarHBondContact OE2-CA 3.4Å; L224-L776 HydrophobicContact CD2-CD2 3.92Å; L224-L776 HydrophobicContact CG-CD2 3.91Å; L771-L776 HydrophobicContact CB-CB 4.27Å; L771-L776 HydrophobicContact CD2-CB 4.21Å; L771-L776 HydrophobicContact CD2-CD1 3.79Å; L771-L776 WeakPolarHBondContact O-CA 3.39Å; L771-L776 WeakPolarHBondContact O-CB 3.48Å; L771-L776 PolarHBondContact O-N 3.39Å; L774-L776 VanDerWaalsContact C-N 3.27Å; L774-L776 HydrophobicContact CB-CD1 4.37Å; L774-L776 HydrophobicContact CB-CG 4.25Å; L774-L776 PolarHBondContact O-N 2.98Å; L776-V779 HydrophobicContact CB-CB 4.01Å; L776-V779 HydrophobicContact CB-CG2 4.06Å; L776-A780 VanDerWaalsContact O-CB 3.3Å; L776-A780 WeakPolarHBondContact O-CB 3.07Å; L776-A780 PolarHBondContact O-N 2.86Å
777H86.1Confident81Confident107 Ų10767.3 Ų67.350%0.49534%0.34SS..Hα-helixtrans-72.9-35.4-171.1-63.1-73000113.6E223 Q772 G775 A781E223-H777 PolarHBondContact OE1-N 3.41Å; E223-H777 PolarHBondContact OE2-N 2.8Å; E223-H777 VanDerWaalsContact OE2-N 3.15Å; Q772-H777 PolarHBondContact O-CE1 3.43Å; Q772-H777 VanDerWaalsContact O-CE1 3.28Å; G775-H777 PolarHBondContact O-CD2 2.85Å; G775-H777 VanDerWaalsContact O-CD2 3.24Å; G775-H777 PolarHBondContact O-N 2.87Å; H777-A781 VanDerWaalsContact O-CB 3.3Å; H777-A781 WeakPolarHBondContact O-CB 3.24Å; H777-A781 PolarHBondContact O-N 3.5Å
778R84.1Confident78.9Confident106 Ų10674.8 Ų74.840%0.436%0.364SS..Hα-helixtrans-70.4-40.9172.8-62.7161.862.4-145.27.2110.8V219 E222 E223 A781 W782V219-R778 HydrophobicContact CG1-CB 3.64Å; E222-R778 IonicContact OE2-CZ 3.27Å; E222-R778 IonicContact OE2-NH1 3.64Å; E222-R778 PolarHBondContact OE2-NH1 3.45Å; E222-R778 IonicContact OE2-NH2 2.72Å; E222-R778 PolarHBondContact OE2-NH2 2.87Å; E223-R778 VanDerWaalsContact CD-CB 3.42Å; E223-R778 HydrophobicContact CG-CB 4.18Å; E223-R778 HydrophobicContact CG-CG 4.35Å; E223-R778 WeakPolarHBondContact OE1-CB 3.47Å; E223-R778 WeakPolarHBondContact OE1-CD 3.23Å; E223-R778 WeakPolarHBondContact OE1-CG 3.37Å; E223-R778 PolarHBondContact OE1-N 3.13Å; E223-R778 WeakPolarHBondContact OE2-CA 3.49Å; E223-R778 WeakPolarHBondContact OE2-CB 3.23Å; E223-R778 PolarHBondContact OE2-N 3.12Å; R778-A781 PolarHBondContact O-N 2.88Å; R778-W782 WeakPolarHBondContact O-CB 3.48Å; R778-W782 PolarHBondContact O-N 3.3Å
779V84.2Confident76.8Confident3 Ų377.4 Ų77.42%0.01839%0.392CS..Hα-helixtrans-60.1-47174.3-176.90000110.3L216 V219 C220 E223 F763 L771 L776 A781 W782 G783L216-V779 HydrophobicContact CD1-CG1 3.91Å; V219-V779 HydrophobicContact CG1-CG2 3.89Å; C220-V779 HydrophobicContact CB-CG2 4.14Å; C220-V779 VanDerWaalsContact SG-CG1 3.59Å; C220-V779 WeakPolarHBondContact SG-CG2 3.34Å; E223-V779 WeakPolarHBondContact OE2-CG2 3.28Å; E223-V779 PolarHBondContact OE2-N 3Å; F763-V779 HydrophobicContact CE2-CG1 4.21Å; F763-V779 WeakPolarHBondContact CE2-O 3.29Å; L771-V779 HydrophobicContact CD1-CG1 4.02Å; L771-V779 HydrophobicContact CD2-CG1 4.04Å; L776-V779 HydrophobicContact CB-CB 4.01Å; L776-V779 HydrophobicContact CB-CG2 4.06Å; V779-A781 PolarHBondContact O-N 3.34Å; V779-W782 WeakPolarHBondContact O-CB 3.44Å; V779-W782 PolarHBondContact O-N 2.89Å; V779-G783 PolarHBondContact O-N 3.22Å; V779-G783 VanDerWaalsContact O-N 3.13Å
780A85.3Confident74.6Confident0 Ų078 Ų780%040%0.404CS..Hα-helixtrans-60.8-43.7175.800000112.3V768 L771 Q772 L776 G783 M784V768-A780 HydrophobicContact CG1-CB 4.22Å; L771-A780 HydrophobicContact CB-CB 3.89Å; Q772-A780 HydrophobicContact CG-CB 3.64Å; L776-A780 VanDerWaalsContact O-CB 3.3Å; L776-A780 WeakPolarHBondContact O-CB 3.07Å; L776-A780 PolarHBondContact O-N 2.86Å; A780-G783 PolarHBondContact O-N 3.43Å; A780-M784 WeakPolarHBondContact O-CG 3.48Å; A780-M784 PolarHBondContact O-N 3.37Å
781A83.8Confident72.4Confident38 Ų3880.7 Ų80.731%0.31442%0.424SS..Hα-helixtrans-64.5-38.8176.200000112.5H777 R778 V779 M784 M785H777-A781 VanDerWaalsContact O-CB 3.3Å; H777-A781 WeakPolarHBondContact O-CB 3.24Å; H777-A781 PolarHBondContact O-N 3.5Å; R778-A781 PolarHBondContact O-N 2.88Å; V779-A781 PolarHBondContact O-N 3.34Å; A781-M784 PolarHBondContact O-N 3.24Å; A781-M785 WeakPolarHBondContact O-CG 3.12Å; A781-M785 PolarHBondContact O-N 3.27Å
782W82.4Confident70.3Confident95 Ų9582.6 Ų82.636%0.3645%0.448SS..Hα-helixtrans-56.9-53.4174.6-10681.9000111.7E215 L216 R778 V779 M784 M785E215-W782 HydrophobicContact CB-CH2 4.35Å; E215-W782 VanDerWaalsContact CD-CZ2 3.47Å; E215-W782 HydrophobicContact CG-CH2 3.85Å; E215-W782 HydrophobicContact CG-CZ2 3.89Å; E215-W782 WeakPolarHBondContact OE1-CZ2 3.33Å; E215-W782 WeakPolarHBondContact OE2-CH2 3.41Å; L216-W782 HydrophobicContact CD1-CB 4Å; L216-W782 HydrophobicContact CD1-CG 4.47Å; R778-W782 WeakPolarHBondContact O-CB 3.48Å; R778-W782 PolarHBondContact O-N 3.3Å; V779-W782 WeakPolarHBondContact O-CB 3.44Å; V779-W782 PolarHBondContact O-N 2.89Å; W782-M784 PolarHBondContact O-N 3.2Å; W782-M785 PolarHBondContact O-N 3.06Å
783G78.5Confident67.8Low2 Ų287.6 Ų87.62%0.02147%0.471CS..Hα-helixtrans-65.3-22.4178.700000114.6S761 L762 F763 V779 A780S761-G783 CarbonylContact C-O 3.56Å; S761-G783 PolarHBondContact OG-O 3.33Å; L762-G783 PolarHBondContact N-O 2.84Å; F763-G783 PolarHBondContact N-O 3.23Å; V779-G783 PolarHBondContact O-N 3.22Å; V779-G783 VanDerWaalsContact O-N 3.13Å; A780-G783 PolarHBondContact O-N 3.43Å
784M80.9Confident65.5Low94 Ų9490.6 Ų90.646%0.46348%0.48SS..Hα-helixtrans-78.4-25.6170.5-69.5-178.378.800113.3V768 A780 A781 W782 G786V768-M784 HydrophobicContact CG1-CG 4.01Å; V768-M784 HydrophobicContact CG1-SD 3.55Å; V768-M784 VanDerWaalsContact CG1-SD 3.55Å; V768-M784 HydrophobicContact CG2-CG 3.75Å; V768-M784 HydrophobicContact CG2-SD 4.41Å; A780-M784 WeakPolarHBondContact O-CG 3.48Å; A780-M784 PolarHBondContact O-N 3.37Å; A781-M784 PolarHBondContact O-N 3.24Å; W782-M784 PolarHBondContact O-N 3.2Å; M784-G786 PolarHBondContact O-N 3.41Å
785M73.1Confident63Low144 Ų14496 Ų9671%0.70949%0.493SS*.SBendtrans-81.259.4175.5-67.9-167.4-163.100111.8A781 W782 R787A781-M785 WeakPolarHBondContact O-CG 3.12Å; A781-M785 PolarHBondContact O-N 3.27Å; W782-M785 PolarHBondContact O-N 3.06Å; M785-R787 PolarHBondContact O-N 2.99Å
786G60Low61.3Low22 Ų22100.6 Ų100.623%0.22752%0.516CS..THydrogen-bonded Turntrans-50.8130.2-18000000113.3S760 M784 R788S760-G786 WeakPolarHBondContact O-CA 3.49Å; M784-G786 PolarHBondContact O-N 3.41Å; G786-R788 PolarHBondContact O-N 2.79Å; G786-R788 VanDerWaalsContact O-N 3.1Å
787R54.9Low59.1Low118 Ų118106.6 Ų106.645%0.44555%0.554SS.*THydrogen-bonded Turntrans-0.185.4-173.2-80.6-167.5176.8-93.121.4114.8E205 Y209 M785 G789E205-R787 IonicContact OE1-NH2 2.69Å; Y209-R787 PolarHBondContact OH-NH2 3.47Å; M785-R787 PolarHBondContact O-N 2.99Å; R787-G789 PolarHBondContact O-N 2.86Å
788R44.9Very low56.6Low229 Ų229114.7 Ų114.786%0.86459%0.588SS**  trans-72.484.6161-177.7-177-76.2-109.81.8108.5G786 T790G786-R788 PolarHBondContact O-N 2.79Å; G786-R788 VanDerWaalsContact O-N 3.1Å; R788-T790 PolarHBondContact O-N 3.47Å
789G41.3Very low55.2Low61 Ų61115.1 Ų115.163%0.62960%0.597SS**  trans-51.8126.3-176.500000112.9R787 D791R787-G789 PolarHBondContact O-N 2.86Å; G789-D791 PolarHBondContact O-N 3.26Å; G789-D791 VanDerWaalsContact O-N 3.09Å
790T39.1Very low53.7Low136 Ų136121 Ų12183%0.83463%0.627SS**  trans-84.845.9-179.643.60000112.3R788 G792R788-T790 PolarHBondContact O-N 3.47Å; T790-G792 PolarHBondContact O-N 3.28Å
791D41.2Very low52Low172 Ų172127.7 Ų127.792%0.9266%0.662SS**  trans-6878.4169-86.1-37000110G789G789-D791 PolarHBondContact O-N 3.26Å; G789-D791 VanDerWaalsContact O-N 3.09Å
792G40.2Very low50.1Low61 Ų61133 Ų13363%0.62968%0.683SS**  trans-164.911.8-169.500000115.8T790 N794T790-G792 PolarHBondContact O-N 3.28Å; G792-N794 PolarHBondContact O-N 3.23Å
793H34.2Very low48.1Very low190 Ų190135.4 Ų135.488%0.8870%0.703SS**  trans-94.293174.4-10234.1000112.4R795H793-R795 PolarHBondContact O-N 3.24Å
794N35.5Very low46Very low160 Ų160144.3 Ų144.386%0.85675%0.748SS**  trans-53.6116.2165.7-81.7-44.1000110.5G792 P796G792-N794 PolarHBondContact O-N 3.23Å; N794-P796 WeakPolarHBondContact O-CD 3.36Å
795R29.3Very low43.6Very low232 Ų232147.9 Ų147.988%0.87577%0.769SS**  trans-67.7123.6160.9-73.4-173.6176-164.6-0.3108.8H793 T797H793-R795 PolarHBondContact O-N 3.24Å; R795-T797 PolarHBondContact O-N 2.88Å
796P43.4Very low41.3Very low126 Ų126148.2 Ų148.282%0.81877%0.773SS**  trans-72.2109.2167.629.5-31.6000108.8N794N794-P796 WeakPolarHBondContact O-CD 3.36Å
797T38.1Very low39.7Very low143 Ų143158.7 Ų158.788%0.87782%0.819SS**  trans-70.4142.7166.645.10000110.2R795R795-T797 PolarHBondContact O-N 2.88Å
798K34.6Very low38.3Very low276 Ų276162.4 Ų162.4100%1.285%0.853SS**  trans-140.30172.9-165.6-178.2-175.9-177.10108.9

Retrieved 798 of 798 residues in 673.1 ms (Link to these results)