A0A061I636_CRIGR Loading...

Magnesium transporter

Magnesium transporter that mediates the influx of magnesium into the mitochondrial matrix and regulates magnesium metabolism. Also permeable to calcium, sodium and potassium ions. Required for normal expression of the mitochondrial respiratory complex I subunits. May play a role in maintaining the inner mitochondrial membrane potential.

AlphaFold DB , UniProt , Accession A0A061I636, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mrs2, Length 432 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M41Very low34.5Very low230 Ų230160.2 Ų160.2100%1.13381%0.81SS**  085.30-66.6-168.8173.900106
2E32.6Very low34.6Very low183 Ų183157.3 Ų157.386%0.85581%0.81SS**  52.8133.374.8-60.4-174.6154.500110.3
3C30.7Very low34.1Very low99 Ų99164.2 Ų164.267%0.66982%0.819SS**  cis-176131.78.6-115.60000104.8
4L33.2Very low33.8Very low123 Ų123158.4 Ų158.464%0.64481%0.81SS**  77123.3111.2-90.6159.2000119.2
5R34.8Very low33.7Very low215 Ų215155.9 Ų155.981%0.81181%0.805SS**  trans68121.7132-95.6175.2-153.7162.91.9119.9
6C30.5Very low33.5Very low119 Ų119157.1 Ų157.180%0.80481%0.806SS**  173.6127.384.3-107.30000113.3
7L35.8Very low33.1Very low144 Ų144153.7 Ų153.775%0.75480%0.8SS**  trans-80.4163.5154.6-111.6148.3000108.5R9L7-R9 HydrophobicContact CD2-CB 4.36Å; L7-R9 HydrophobicContact CD2-CG 4.44Å
8P43Very low32.9Very low118 Ų118159.2 Ų159.277%0.76681%0.808SS**  -143.2148.465.327.1-3000115.2
9R31Very low32.7Very low211 Ų211163.2 Ų163.280%0.79681%0.812SS**  60.4105.980.6-110.1-174-174.2-178.52.6114.5L7L7-R9 HydrophobicContact CD2-CB 4.36Å; L7-R9 HydrophobicContact CD2-CG 4.44Å
10L29.8Very low32.5Very low183 Ų183159.3 Ų159.396%0.95881%0.807SS**  trans-132.7106.4153.4-92.2163.3000109.5
11L37.8Very low32.3Very low137 Ų137160 Ų16072%0.71781%0.812SS**PPolyproline II helixtrans-92.3147.8167.8-131.1116.1000107.6
12P35Very low31.7Very low125 Ų125155 Ų15581%0.81280%0.799SS**PPolyproline II helixtrans-89.4131.6156.1-3.122.1000110.2
13R28.8Very low31.6Very low247 Ų247151.2 Ų151.293%0.93280%0.798SS**PPolyproline II helixtrans-88.7137-176.4-150.9176-177.3164.2-1.1109.3
14A29.9Very low31.7Very low84 Ų84151 Ų15169%0.69480%0.803SS**  trans-78.1177.116500000111.8
15V31.2Very low31.7Very low121 Ų121151.2 Ų151.273%0.73381%0.812SS**  trans99.1124.5166.5-172.20000112.8
16Q30.7Very low31.5Very low174 Ų174149.4 Ų149.481%0.81382%0.818SS**  cis-163.3142.422.8-134.7149.315.800112.7
17S26.6Very low31.6Very low100 Ų100149 Ų14970%0.69982%0.816SS**  36.7123.6128.7-163.30000122.2
18R30Very low31.6Very low253 Ų253148.2 Ų148.296%0.95582%0.82SS**  -144.5135.4125.4-102.4-174.3-176.2-148.70.7111.7
19R30Very low31Very low234 Ų234147.5 Ų147.588%0.88382%0.824SS**  trans-77.4152.3-177-83.5174.8165.7167.2-5.5113.6
20A28.4Very low30.9Very low86 Ų86142 Ų14271%0.71182%0.823SS**  trans67.6122.8136.300000120
21L28.8Very low30.8Very low173 Ų173139.8 Ų139.891%0.90682%0.822SS**  -161.8139.6101.9-121.187.8000111.3
22C27.7Very low30.3Very low127 Ų127139.8 Ų139.886%0.85883%0.832SS**  trans-66.8149.5176.1-52.80000112.7
23A29.4Very low29.9Very low103 Ų103137.3 Ų137.385%0.85183%0.829SS**  trans-170.7130.5133.900000111
24A33.2Very low29.8Very low93 Ų93137.4 Ų137.477%0.76983%0.829SS**PPolyproline II helixtrans-79170.1-179.500000112.2
25P32.7Very low29.7Very low128 Ų128137.1 Ų137.183%0.83183%0.827SS**PPolyproline II helixtrans-84.7146-165.932.7-31.3000113.8
26L31.4Very low29.5Very low177 Ų177137.6 Ų137.693%0.92783%0.83SS**PPolyproline II helixtrans-76.8130.7173-79120.7000111.5
27S32.3Very low30.2Very low110 Ų110134.4 Ų134.477%0.76983%0.825SS**  trans-108.4158.7158.2-73.40000109.5
28P37.2Very low30.3Very low129 Ų129136.8 Ų136.884%0.83883%0.829SS**PPolyproline II helixtrans-86.8143.6-15933.5-32.8000113.2
29A29.6Very low30.3Very low102 Ų102131.8 Ų131.884%0.84382%0.82SS**PPolyproline II helixtrans-92.4130172.500000110.9
30A29.7Very low30.1Very low96 Ų96126.4 Ų126.479%0.79382%0.819SS**PPolyproline II helixtrans-76.5143.616100000109.9
31C27.2Very low30.2Very low136 Ų136126 Ų12692%0.91982%0.823SS**  trans-143.2132.9158-102.60000111.2
32C27.1Very low30.1Very low137 Ų137123 Ų12393%0.92682%0.816SS**  trans-64.9162.5-175.5-65.50000115.5
33G25.8Very low30.1Very low74 Ų74127 Ų12776%0.76381%0.813SS**  140.8106.2123.300000118.7
34R26.8Very low30Very low248 Ų248131.2 Ų131.294%0.93681%0.812SS**  104.9118.5121-153.2166.6-166171.74.1120.2
35A27.8Very low29.7Very low79 Ų79131.2 Ų131.265%0.65381%0.812SS**  trans76.3104.1138.900000122.8
36T28.4Very low30.3Very low130 Ų130130.6 Ų130.680%0.79881%0.809SS**  18.4165.2119.450.20000122.1
37P45.3Very low30.1Very low107 Ų107128.1 Ų128.170%0.69581%0.806SS**  cis-136.6-172.3-15.527.1-2.9000112.7
38L28.3Very low29.9Very low151 Ų151128.1 Ų128.179%0.79181%0.806SS**  179.1119.9128-88.7167.7000112.9
39L29.2Very low30Very low147 Ų147127.1 Ų127.177%0.7780%0.8SS**  trans66.1128.7133.5-79.4159.5000125.4
40S27.2Very low29.8Very low121 Ų121128.2 Ų128.285%0.84680%0.8SS**  trans85.4135.9145.689.10000116.3
41G28.6Very low29.7Very low78 Ų78128.8 Ų128.880%0.80480%0.804SS**  cis-161.6165.314.400000112.6
42S27Very low29.7Very low109 Ų109127.5 Ų127.576%0.76280%0.804SS**  trans-76.7148.2-169-176.20000114.3
43R27.6Very low29.8Very low212 Ų212124.6 Ų124.680%0.880%0.797SS**  171125.6109-92.2174.2-179-176.82.3115.3
44K28.9Very low29.9Very low191 Ų191128.9 Ų128.983%0.8380%0.802SS**  trans69.7122133.5-66.4-177.3176.5-172.80122.1
45A25.9Very low30Very low93 Ų93123 Ų12377%0.76979%0.793SS**  trans-87.2-161.7160.800000111.2
46P44.5Very low30.1Very low116 Ų116127.8 Ų127.875%0.75380%0.802SS**  cis-131.9173.6-31.329.1-8.9000112.8
47S28.1Very low30.1Very low125 Ų125133.5 Ų133.587%0.87481%0.809SS**  trans168.4146.9134.845.60000114.4
48S28Very low29.3Very low110 Ų110133.9 Ų133.977%0.76981%0.814SS**  trans-84.5-165.9-168.152.60000115.8
49P39.9Very low29.3Very low108 Ų108137.8 Ų137.870%0.70182%0.818SS**  cis-135.1-175.1-38.729-6.6000114.6
50C24.5Very low29.6Very low125 Ų125137.3 Ų137.385%0.84582%0.822SS**  trans79.7114.2152.2-68.40000120.7
51A28.3Very low29.9Very low107 Ų107135.4 Ų135.488%0.88481%0.808SS**  179.7157.7103.800000111.9
52A27.3Very low29.9Very low110 Ų110139.5 Ų139.591%0.90981%0.812SS**  trans-74.5157.9-159.100000116.8
53G28.1Very low30.5Very low76 Ų76139.1 Ų139.178%0.78482%0.815SS**  trans171.587.6164.700000112.3
54N27.9Very low31Very low164 Ų164134.5 Ų134.588%0.87782%0.815SS**  trans-58.4145.6176.2-83.1-27.5000112.3
55V29.7Very low31.4Very low123 Ų123134.1 Ų134.175%0.74582%0.817SS**  164.4113.7111.1164.30000110.5
56H30.3Very low31.9Very low180 Ų180134.8 Ų134.883%0.83382%0.822SS**  trans54.890.7147.5-68.148.6000119.4
57R27.4Very low31.5Very low251 Ų251134.8 Ų134.895%0.94782%0.82SS**  trans-115109.3155-159.3176.4-152.8165.46.4109.1
58S29.5Very low31.9Very low115 Ų115137 Ų13780%0.80482%0.821SS**  trans-58.9138.9179.3-58.90000111.8T60S58-T60 PolarHBondContact O-N 3.48Å
59R28.3Very low32.3Very low233 Ų233135.8 Ų135.888%0.87982%0.818SS**  trans-66.3116.2-168.8-156.4171.7-177.9164.1-1.9111.2
60T34.4Very low32.4Very low137 Ų137136.1 Ų136.184%0.8482%0.823SS**  trans-83.2103.8163.449.60000108.9S58S58-T60 PolarHBondContact O-N 3.48Å
61S33.8Very low33.7Very low81 Ų81136.5 Ų136.557%0.56682%0.821SS**  trans175.898.2157.543.90000108.2
62D29.7Very low35.2Very low164 Ų164133.7 Ų133.788%0.87780%0.798SS**  trans-172.656.5135.7-84.7-18.6000108.8S64D62-S64 PolarHBondContact O-N 3.16Å; D62-S64 VanDerWaalsContact O-N 3.16Å
63A39.3Very low37.2Very low101 Ų101134 Ų13484%0.83578%0.78SS**  trans-85.358.5169.400000109.5
64S38.5Very low39.6Very low114 Ų114133.9 Ų133.980%0.79776%0.764SS**SBendtrans-162.836.6175.3-63.50000112.9D62D62-S64 PolarHBondContact O-N 3.16Å; D62-S64 VanDerWaalsContact O-N 3.16Å
65Q37Very low42.2Very low184 Ų184126.8 Ų126.886%0.8673%0.725SS**  trans-167.260.8167-112.1168.962.900111.2
66A35.9Very low44.8Very low106 Ų106121.8 Ų121.888%0.87670%0.697SS**  trans-117.168.5165.600000108.8L68A66-L68 PolarHBondContact O-N 2.83Å
67T35Very low47.5Very low117 Ų117113.3 Ų113.372%0.71866%0.658SS**  trans-69.4109.9170.2-430000108.3A69T67-A69 PolarHBondContact O-N 3.05Å
68L38.2Very low50.4Low170 Ų170101.3 Ų101.389%0.8961%0.613SS**  trans44.946.4156.5-64.4167.9000117.4A66 S70A66-L68 PolarHBondContact O-N 2.83Å; L68-S70 PolarHBondContact O-N 3.3Å
69A34.9Very low53.2Low86 Ų8699 Ų9971%0.71159%0.588SS**  trans-82.7108.1158.700000107.8T67 V71T67-A69 PolarHBondContact O-N 3.05Å; A69-V71 PolarHBondContact O-N 3.4Å
70S43.1Very low56Low114 Ų11487.9 Ų87.980%0.79755%0.546SS*.  trans-42.5108.7164.1175.40000108.8L68 A72L68-S70 PolarHBondContact O-N 3.3Å; S70-A72 PolarHBondContact O-N 2.85Å
71V52.2Low58.5Low133 Ų13383.9 Ų83.981%0.80652%0.52SS*.  trans-61.4105.1176.6177.40000106.1A69 Q73A69-V71 PolarHBondContact O-N 3.4Å; V71-Q73 PolarHBondContact O-N 2.79Å
72A59.6Low60.7Low48 Ų4884.4 Ų84.440%0.39751%0.512SS..  trans-57.5113.2178.700000107.9S70 V74S70-A72 PolarHBondContact O-N 2.85Å; A72-V74 PolarHBondContact O-N 2.89Å; A72-V74 VanDerWaalsContact O-N 3.14Å
73Q68.9Low62.9Low117 Ų11781.8 Ų81.855%0.54750%0.498SS..PPolyproline II helixtrans-58.3119.6177.9-71.7177.9-11.600108.6V71 K93V71-Q73 PolarHBondContact O-N 2.79Å; Q73-K93 HydrophobicContact CB-CB 4.31Å; Q73-K93 HydrophobicContact CB-CD 4.33Å; Q73-K93 VanDerWaalsContact O-CB 3.28Å; Q73-K93 WeakPolarHBondContact O-CB 3.42Å; Q73-K93 PolarHBondContact O-N 2.83Å
74V79.2Confident64.6Low73 Ų7377.4 Ų77.444%0.44246%0.463SS..EExtended strand (participates in β ladder)trans-97.7129.9175.1-177.90000107.9A72 E90 K92A72-V74 PolarHBondContact O-N 2.89Å; A72-V74 VanDerWaalsContact O-N 3.14Å; V74-E90 HydrophobicContact CG1-CB 3.94Å; V74-K92 HydrophobicContact CG2-CG 4.43Å
75F81Confident66.7Low15 Ų1576.9 Ų76.97%0.06645%0.451CS..EExtended strand (participates in β ladder)trans-100.3131.1171.9-71.2-63.1000109.5V77 E90 R91 K93 L96 D142F75-V77 HydrophobicContact CB-CG2 4.14Å; F75-E90 WeakPolarHBondContact O-CA 3.18Å; F75-R91 PolarHBondContact N-O 2.78Å; F75-R91 PolarHBondContact O-N 2.71Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CD2-CG 4.41Å; F75-K93 HydrophobicContact CE2-CB 3.79Å; F75-K93 HydrophobicContact CE2-CD 3.78Å; F75-K93 HydrophobicContact CE2-CG 3.72Å; F75-K93 HydrophobicContact CZ-CD 4.23Å; F75-L96 HydrophobicContact CB-CD2 4.47Å; F75-L96 HydrophobicContact CD2-CD2 3.9Å; F75-L96 HydrophobicContact CG-CD2 4.5Å; F75-D142 HydrophobicContact CD1-CB 4.46Å
76A85Confident69Low19 Ų1970.7 Ų70.716%0.15743%0.426CS..EExtended strand (participates in β ladder)trans-76.6117.9160.100000107.5D142 Y143A76-D142 PolarHBondContact O-N 2.94Å; A76-Y143 HydrophobicContact CB-CE1 4.36Å
77V86.4Confident71.4Confident1 Ų169.2 Ų69.21%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-112.3126.8-177.6-172.90000108.6F75 S88 Y89 L96 M139 I140 L141F75-V77 HydrophobicContact CB-CG2 4.14Å; V77-S88 WeakPolarHBondContact O-CA 3.15Å; V77-Y89 HydrophobicContact CB-CD2 4.06Å; V77-Y89 HydrophobicContact CB-CE2 3.7Å; V77-Y89 HydrophobicContact CG1-CE1 4.42Å; V77-Y89 HydrophobicContact CG1-CE2 4.02Å; V77-Y89 HydrophobicContact CG2-CE2 4.07Å; V77-Y89 PolarHBondContact N-O 3.04Å; V77-Y89 PolarHBondContact O-N 3.19Å; V77-Y89 VanDerWaalsContact O-O 3.13Å; V77-L96 HydrophobicContact CG2-CD1 4.24Å; V77-L96 HydrophobicContact CG2-CD2 4.35Å; V77-M139 HydrophobicContact CG1-CB 4Å; V77-M139 HydrophobicContact CG1-CG 4.25Å; V77-M139 HydrophobicContact CG1-SD 4.26Å; V77-I140 WeakPolarHBondContact CA-O 3.46Å; V77-L141 HydrophobicContact CB-CD2 4.33Å; V77-L141 HydrophobicContact CG1-CD2 4.06Å; V77-L141 HydrophobicContact CG2-CD2 3.66Å
78T87.9Confident73.8Confident0 Ų067.8 Ų67.80%040%0.4CS..EExtended strand (participates in β ladder)trans-109.1113.2170.9-52.30000108.1F80 V86 M139 I140 Y143 L152 F153T78-F80 HydrophobicContact CG2-CD2 4.43Å; T78-F80 HydrophobicContact CG2-CE2 3.5Å; T78-F80 HydrophobicContact CG2-CZ 3.6Å; T78-V86 HydrophobicContact CG2-CG1 3.43Å; T78-V86 VanDerWaalsContact CG2-CG1 3.43Å; T78-M139 WeakPolarHBondContact O-CA 3.34Å; T78-I140 PolarHBondContact N-O 3.07Å; T78-I140 PolarHBondContact O-N 3Å; T78-Y143 WeakPolarHBondContact OG1-CD1 3.49Å; T78-Y143 WeakPolarHBondContact OG1-CE1 3.19Å; T78-L152 HydrophobicContact CG2-CD2 4.42Å; T78-F153 HydrophobicContact CG2-CE1 4.46Å
79K89.4Confident76.1Confident66 Ų6662.6 Ų62.629%0.28737%0.369SS..EExtended strand (participates in β ladder)trans-99.1129.6-179.5-179.6-169.5-179.6-171.50109.9T87 Y89 C137 L138 M139K79-T87 PolarHBondContact N-O 2.95Å; K79-T87 PolarHBondContact O-N 3.48Å; K79-T87 PolarHBondContact O-OG1 3.42Å; K79-Y89 HydrophobicContact CB-CE1 3.92Å; K79-Y89 HydrophobicContact CD-CE1 4.45Å; K79-C137 HydrophobicContact CD-CB 4.37Å; K79-C137 VanDerWaalsContact CE-CB 3.42Å; K79-C137 WeakPolarHBondContact CE-SG 3.31Å; K79-C137 HydrophobicContact CG-CB 3.97Å; K79-L138 CarbonylContact C-O 3.51Å; K79-L138 WeakPolarHBondContact CA-O 3.43Å; K79-M139 HydrophobicContact CB-CG 4.33Å; K79-M139 HydrophobicContact CD-CE 4.09Å; K79-M139 HydrophobicContact CG-CE 4.25Å; K79-M139 HydrophobicContact CG-CG 4.25Å
80F87.7Confident78.6Confident0 Ų065.5 Ų65.50%037%0.368CS..EExtended strand (participates in β ladder)trans-110.2126.7173.9-61.8-96.2000109T78 N85 V86 C137 L138 I140 L152 L156 P157 L160T78-F80 HydrophobicContact CG2-CD2 4.43Å; T78-F80 HydrophobicContact CG2-CE2 3.5Å; T78-F80 HydrophobicContact CG2-CZ 3.6Å; F80-N85 WeakPolarHBondContact CA-O 3.49Å; F80-V86 HydrophobicContact CD1-CB 4.43Å; F80-V86 HydrophobicContact CD1-CG1 4.28Å; F80-V86 HydrophobicContact CD1-CG2 3.67Å; F80-V86 HydrophobicContact CE1-CB 4.14Å; F80-V86 HydrophobicContact CE1-CG1 3.69Å; F80-V86 HydrophobicContact CE1-CG2 3.4Å; F80-V86 VanDerWaalsContact CE1-CG2 3.4Å; F80-V86 HydrophobicContact CZ-CG1 3.78Å; F80-V86 HydrophobicContact CZ-CG2 4.33Å; F80-C137 CarbonylContact O-C 3.58Å; F80-C137 WeakPolarHBondContact O-CA 3.33Å; F80-C137 WeakPolarHBondContact O-CB 3.33Å; F80-L138 HydrophobicContact CB-CB 4.27Å; F80-L138 PolarHBondContact N-O 2.99Å; F80-L138 PolarHBondContact O-N 3.22Å; F80-I140 HydrophobicContact CE2-CD1 4.11Å; F80-L152 WeakPolarHBondContact CE1-O 3.46Å; F80-L152 HydrophobicContact CE2-CD1 3.56Å; F80-L152 HydrophobicContact CE2-CG 4.25Å; F80-L152 HydrophobicContact CZ-CD1 3.4Å; F80-L152 VanDerWaalsContact CZ-CD1 3.4Å; F80-L152 HydrophobicContact CZ-CD2 4.47Å; F80-L152 HydrophobicContact CZ-CG 3.65Å; F80-L156 HydrophobicContact CD1-CD2 4.13Å; F80-L156 HydrophobicContact CD1-CG 4.42Å; F80-L156 HydrophobicContact CD2-CD2 4.06Å; F80-L156 HydrophobicContact CE1-CD2 3.91Å; F80-L156 HydrophobicContact CE1-CG 4.39Å; F80-L156 HydrophobicContact CE2-CD2 3.86Å; F80-L156 HydrophobicContact CG-CD2 4.23Å; F80-L156 HydrophobicContact CZ-CD2 3.81Å; F80-P157 HydrophobicContact CD1-CG 4.45Å; F80-P157 HydrophobicContact CE1-CG 4.15Å; F80-L160 HydrophobicContact CB-CD1 3.57Å; F80-L160 HydrophobicContact CD1-CD1 4.02Å; F80-L160 HydrophobicContact CG-CD1 3.92Å
81D86.8Confident80.5Confident52 Ų5265.1 Ų65.128%0.27835%0.35SS..EExtended strand (participates in β ladder)trans-87.7170174.8-146.7-17.8000111.4D83 G84 N85D81-D83 PolarHBondContact O-N 2.84Å; D81-G84 PolarHBondContact O-N 2.99Å; D81-N85 HydrophobicContact CB-CB 4.29Å; D81-N85 PolarHBondContact N-O 3.42Å
82K79.7Confident82.1Confident93 Ų9363.5 Ų63.540%0.40433%0.332SS..THydrogen-bonded Turntrans-58.1-25.5175.858.9-169.6166.4-166.50115G84 E136 F173K82-G84 VanDerWaalsContact C-N 3.3Å; K82-E136 WeakPolarHBondContact CE-OE2 3.45Å; K82-E136 IonicContact NZ-OE2 3.28Å; K82-E136 PolarHBondContact NZ-OE2 3.06Å; K82-F173 HydrophobicContact CB-CD2 4.09Å; K82-F173 HydrophobicContact CB-CE2 4.5Å
83D75.9Confident83.1Confident108 Ų10863.1 Ų63.158%0.57832%0.321SS*.THydrogen-bonded Turntrans-88.75.1176.7-55.8-51.5000112.8D81 N85D81-D83 PolarHBondContact O-N 2.84Å; D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.89Å
84G74.1Confident83.6Confident10 Ų1060.6 Ų60.610%0.10331%0.314CS..  trans78.96-177.500000114.5D81 K82 V86D81-G84 PolarHBondContact O-N 2.99Å; K82-G84 VanDerWaalsContact C-N 3.3Å; G84-V86 PolarHBondContact O-N 2.94Å
85N83.2Confident83.8Confident102 Ų10260.5 Ų60.555%0.54531%0.308SS..  trans-67.8130.8177.3-70.2-38.5000111.3F80 D81 D83F80-N85 WeakPolarHBondContact CA-O 3.49Å; D81-N85 HydrophobicContact CB-CB 4.29Å; D81-N85 PolarHBondContact N-O 3.42Å; D83-N85 VanDerWaalsContact C-N 3.28Å; D83-N85 PolarHBondContact O-N 2.89Å
86V85.8Confident83.9Confident55 Ų5559.8 Ų59.833%0.33331%0.305SS..EExtended strand (participates in β ladder)trans-105.8125.8-175.9-167.10000110.6T78 F80 G84 F153 P157T78-V86 HydrophobicContact CG2-CG1 3.43Å; T78-V86 VanDerWaalsContact CG2-CG1 3.43Å; F80-V86 HydrophobicContact CD1-CB 4.43Å; F80-V86 HydrophobicContact CD1-CG1 4.28Å; F80-V86 HydrophobicContact CD1-CG2 3.67Å; F80-V86 HydrophobicContact CE1-CB 4.14Å; F80-V86 HydrophobicContact CE1-CG1 3.69Å; F80-V86 HydrophobicContact CE1-CG2 3.4Å; F80-V86 VanDerWaalsContact CE1-CG2 3.4Å; F80-V86 HydrophobicContact CZ-CG1 3.78Å; F80-V86 HydrophobicContact CZ-CG2 4.33Å; G84-V86 PolarHBondContact O-N 2.94Å; V86-F153 HydrophobicContact CG1-CD1 4.25Å; V86-F153 HydrophobicContact CG1-CE1 3.9Å; V86-P157 HydrophobicContact CG2-CG 4.05Å
87T86.4Confident83.7Confident74 Ų7461.2 Ų61.245%0.45431%0.307SS..EExtended strand (participates in β ladder)trans-127.7124.9174.653.30000110.3K79K79-T87 PolarHBondContact N-O 2.95Å; K79-T87 PolarHBondContact O-N 3.48Å; K79-T87 PolarHBondContact O-OG1 3.42Å
88S85.4Confident83.5Confident87 Ų8768 Ų6861%0.60834%0.338SS*.EExtended strand (participates in β ladder)trans-107129178.260.30000110.7V77V77-S88 WeakPolarHBondContact O-CA 3.15Å
89Y86.3Confident83.2Confident61 Ų6172.4 Ų72.424%0.23936%0.359CS..EExtended strand (participates in β ladder)trans-145.8153.8176.458.5-96.8000111.7V77 K79 R91 M139V77-Y89 HydrophobicContact CB-CD2 4.06Å; V77-Y89 HydrophobicContact CB-CE2 3.7Å; V77-Y89 HydrophobicContact CG1-CE1 4.42Å; V77-Y89 HydrophobicContact CG1-CE2 4.02Å; V77-Y89 HydrophobicContact CG2-CE2 4.07Å; V77-Y89 PolarHBondContact N-O 3.04Å; V77-Y89 PolarHBondContact O-N 3.19Å; V77-Y89 VanDerWaalsContact O-O 3.13Å; K79-Y89 HydrophobicContact CB-CE1 3.92Å; K79-Y89 HydrophobicContact CD-CE1 4.45Å; Y89-R91 HydrophobicContact CD2-CB 4.38Å; Y89-R91 HydrophobicContact CD2-CG 3.53Å; Y89-R91 HydrophobicContact CE2-CB 4.34Å; Y89-R91 HydrophobicContact CE2-CG 3.54Å; Y89-M139 WeakPolarHBondContact OH-CE 3.36Å
90E86.1Confident82.8Confident147 Ų14769.3 Ų69.369%0.68735%0.346SS*.EExtended strand (participates in β ladder)trans-97.7130.7173.8-67.2-171.8169.800110.3V74 F75V74-E90 HydrophobicContact CG1-CB 3.94Å; F75-E90 WeakPolarHBondContact O-CA 3.18Å
91R83.9Confident82.5Confident107 Ų10771.9 Ų71.940%0.40437%0.366SS..EExtended strand (participates in β ladder)trans-132.7143.5176.6-81.7-70.2-175-177.70.3111.6F75 Y89 E95F75-R91 PolarHBondContact N-O 2.78Å; F75-R91 PolarHBondContact O-N 2.71Å; Y89-R91 HydrophobicContact CD2-CB 4.38Å; Y89-R91 HydrophobicContact CD2-CG 3.53Å; Y89-R91 HydrophobicContact CE2-CB 4.34Å; Y89-R91 HydrophobicContact CE2-CG 3.54Å; R91-E95 WeakPolarHBondContact CD-OE2 3.4Å; R91-E95 IonicContact CZ-OE2 3.81Å; R91-E95 IonicContact NH1-OE2 2.83Å; R91-E95 PolarHBondContact NH1-OE2 2.87Å
92K85.7Confident82.4Confident99 Ų9969.9 Ų69.943%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-65.6141.7169.9-66.8179.3-172161.90109.1V74 T94 E95 L96V74-K92 HydrophobicContact CG2-CG 4.43Å; K92-T94 PolarHBondContact O-N 3.05Å; K92-T94 VanDerWaalsContact O-N 3.07Å; K92-E95 HydrophobicContact CB-CG 4.25Å; K92-E95 PolarHBondContact O-N 2.93Å; K92-L96 PolarHBondContact O-N 2.85Å
93K80.3Confident82.4Confident39 Ų3969.9 Ų69.917%0.1736%0.357CS..Hα-helixtrans-50.2-36.2174.1179.9166.5-164.6168.30112.5Q73 F75 L96 Y97 L107Q73-K93 HydrophobicContact CB-CB 4.31Å; Q73-K93 HydrophobicContact CB-CD 4.33Å; Q73-K93 VanDerWaalsContact O-CB 3.28Å; Q73-K93 WeakPolarHBondContact O-CB 3.42Å; Q73-K93 PolarHBondContact O-N 2.83Å; F75-K93 HydrophobicContact CD2-CB 4.06Å; F75-K93 HydrophobicContact CD2-CG 4.41Å; F75-K93 HydrophobicContact CE2-CB 3.79Å; F75-K93 HydrophobicContact CE2-CD 3.78Å; F75-K93 HydrophobicContact CE2-CG 3.72Å; F75-K93 HydrophobicContact CZ-CD 4.23Å; K93-L96 PolarHBondContact O-N 2.91Å; K93-Y97 WeakPolarHBondContact O-CD1 3.42Å; K93-Y97 PolarHBondContact O-N 3.48Å; K93-L107 WeakPolarHBondContact CE-O 3.28Å; K93-L107 PolarHBondContact NZ-O 3.41Å
94T80.1Confident82.5Confident64 Ų6466.9 Ų66.939%0.39335%0.348SS..Hα-helixtrans-65.2-42178.253.80000114.1K92 Y97 H98K92-T94 PolarHBondContact O-N 3.05Å; K92-T94 VanDerWaalsContact O-N 3.07Å; T94-Y97 HydrophobicContact CG2-CE1 3.97Å; T94-Y97 WeakPolarHBondContact CG2-OH 3.18Å; T94-Y97 WeakPolarHBondContact O-CE2 3.45Å; T94-H98 PolarHBondContact O-CD2 3.48Å
95E82Confident82.7Confident71 Ų7174.1 Ų74.133%0.33237%0.372SS..Hα-helixtrans-71.6-38.6178-65.4170.5-156.900110.3R91 K92 H98 E99R91-E95 WeakPolarHBondContact CD-OE2 3.4Å; R91-E95 IonicContact CZ-OE2 3.81Å; R91-E95 IonicContact NH1-OE2 2.83Å; R91-E95 PolarHBondContact NH1-OE2 2.87Å; K92-E95 HydrophobicContact CB-CG 4.25Å; K92-E95 PolarHBondContact O-N 2.93Å; E95-H98 PolarHBondContact O-N 3.46Å; E95-E99 WeakPolarHBondContact O-CB 3.32Å; E95-E99 PolarHBondContact O-N 2.85Å
96L82.9Confident82.5Confident0 Ų070.7 Ų70.70%035%0.354CS..Hα-helixtrans-65.2-43.5-177.2-170.267.7000113F75 V77 K92 K93 H98 E99 L100 L107 L141F75-L96 HydrophobicContact CB-CD2 4.47Å; F75-L96 HydrophobicContact CD2-CD2 3.9Å; F75-L96 HydrophobicContact CG-CD2 4.5Å; V77-L96 HydrophobicContact CG2-CD1 4.24Å; V77-L96 HydrophobicContact CG2-CD2 4.35Å; K92-L96 PolarHBondContact O-N 2.85Å; K93-L96 PolarHBondContact O-N 2.91Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.99Å; L96-E99 PolarHBondContact O-N 3.47Å; L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CD2-CD1 4.4Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.14Å; L96-L107 HydrophobicContact CD2-CD1 4.04Å; L96-L107 HydrophobicContact CG-CD1 4.32Å; L96-L141 HydrophobicContact CD2-CD1 4.45Å; L96-L141 HydrophobicContact CD2-CD2 3.66Å
97Y80.8Confident82Confident50 Ų5068.1 Ų68.120%0.19634%0.338CS..Hα-helixtrans-71.4-28.8177.767.1-116.2000112.5K93 T94 A101 L102 A104K93-Y97 WeakPolarHBondContact O-CD1 3.42Å; K93-Y97 PolarHBondContact O-N 3.48Å; T94-Y97 HydrophobicContact CG2-CE1 3.97Å; T94-Y97 WeakPolarHBondContact CG2-OH 3.18Å; T94-Y97 WeakPolarHBondContact O-CE2 3.45Å; Y97-A101 CarbonylContact O-C 3.56Å; Y97-A101 WeakPolarHBondContact O-CA 3.27Å; Y97-A101 PolarHBondContact O-N 2.87Å; Y97-L102 PolarHBondContact O-N 3.2Å; Y97-A104 HydrophobicContact CD1-CB 4.34Å; Y97-A104 HydrophobicContact CE1-CB 4.31Å
98H83.3Confident81.5Confident142 Ų14271.8 Ų71.866%0.65734%0.343SS*.Hα-helixtrans-70.1-44.1174-79.4-59.1000111.4T94 E95 L96 L100 A101T94-H98 PolarHBondContact O-CD2 3.48Å; E95-H98 PolarHBondContact O-N 3.46Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.99Å; H98-L100 VanDerWaalsContact C-N 3.32Å; H98-A101 PolarHBondContact O-N 3.29Å
99E82.3Confident81Confident94 Ų9468.5 Ų68.544%0.43932%0.318SS..Hα-helixtrans-63.7-39.6174.6-176178.7176.800111.6E95 L96 A101 R121E95-E99 WeakPolarHBondContact O-CB 3.32Å; E95-E99 PolarHBondContact O-N 2.85Å; L96-E99 PolarHBondContact O-N 3.47Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.91Å; E99-R121 PolarHBondContact O-NH2 3.05Å
100L81.1Confident80.5Confident1 Ų172.3 Ų72.31%0.00534%0.338CS..THydrogen-bonded Turntrans-83.8-0.6179.4-59.2175.1000113.9L96 H98 L102 R121 V132 M139L96-L100 HydrophobicContact CD1-CD1 3.81Å; L96-L100 HydrophobicContact CD1-CG 4.16Å; L96-L100 HydrophobicContact CD2-CD1 4.4Å; L96-L100 HydrophobicContact CG-CD1 3.74Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.24Å; L96-L100 WeakPolarHBondContact O-CB 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.32Å; L96-L100 PolarHBondContact O-N 3.14Å; H98-L100 VanDerWaalsContact C-N 3.32Å; L100-L102 HydrophobicContact CB-CB 4.39Å; L100-L102 HydrophobicContact CB-CD1 3.85Å; L100-L102 HydrophobicContact CB-CG 3.8Å; L100-L102 HydrophobicContact CD1-CD1 4.05Å; L100-L102 WeakPolarHBondContact O-CG 3.2Å; L100-L102 PolarHBondContact O-N 3.29Å; L100-R121 VanDerWaalsContact CA-NH1 3.29Å; L100-R121 WeakPolarHBondContact O-CD 3.29Å; L100-R121 PolarHBondContact O-NE 3.36Å; L100-R121 PolarHBondContact O-NH2 2.82Å; L100-V132 HydrophobicContact CD1-CB 4.49Å; L100-V132 HydrophobicContact CD1-CG1 4.21Å; L100-V132 HydrophobicContact CD1-CG2 4.28Å; L100-M139 HydrophobicContact CD2-CE 4.34Å; L100-M139 HydrophobicContact CD2-SD 3.8Å
101A81.5Confident80.1Confident53 Ų5371.5 Ų71.544%0.43833%0.334SS..THydrogen-bonded Turntrans47.630.5-171.300000113.4Y97 H98 E99 N119Y97-A101 CarbonylContact O-C 3.56Å; Y97-A101 WeakPolarHBondContact O-CA 3.27Å; Y97-A101 PolarHBondContact O-N 2.87Å; H98-A101 PolarHBondContact O-N 3.29Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.91Å; A101-N119 PolarHBondContact O-ND2 2.91Å
102L83.1Confident80Confident10 Ų1070.2 Ų70.25%0.05234%0.338CS..  trans-96160.2-179.2-68.1178.9000110.7Y97 L100 L107 R118 I123Y97-L102 PolarHBondContact O-N 3.2Å; L100-L102 HydrophobicContact CB-CB 4.39Å; L100-L102 HydrophobicContact CB-CD1 3.85Å; L100-L102 HydrophobicContact CB-CG 3.8Å; L100-L102 HydrophobicContact CD1-CD1 4.05Å; L100-L102 WeakPolarHBondContact O-CG 3.2Å; L100-L102 PolarHBondContact O-N 3.29Å; L102-L107 HydrophobicContact CD1-CD2 4.24Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; L102-R118 HydrophobicContact CD2-CB 3.98Å; L102-I123 HydrophobicContact CD1-CD1 3.68Å; L102-I123 HydrophobicContact CD1-CG1 4.1Å; L102-I123 HydrophobicContact CD2-CD1 3.78Å; L102-I123 HydrophobicContact CD2-CG1 4.48Å; L102-I123 HydrophobicContact CG-CD1 4.32Å
103Q80.9Confident80.1Confident93 Ų9366 Ų6644%0.43532%0.32SS..  trans-83.8150.3173.2-57.5-170.713.900110.4R105 D106Q103-R105 HydrophobicContact CB-CG 4.09Å; Q103-R105 PolarHBondContact O-N 3.4Å; Q103-D106 WeakPolarHBondContact CB-OD2 3.38Å; Q103-D106 PolarHBondContact N-OD2 2.98Å; Q103-D106 PolarHBondContact O-N 3.37Å
104A76.4Confident80.5Confident46 Ų4665.2 Ų65.238%0.3832%0.319SS..THydrogen-bonded Turntrans-61.2-11.2177.500000113.8Y97 R108Y97-A104 HydrophobicContact CD1-CB 4.34Å; Y97-A104 HydrophobicContact CE1-CB 4.31Å; A104-R108 WeakPolarHBondContact O-CG 3.24Å; A104-R108 PolarHBondContact O-NE 2.98Å
105R79.1Confident80.9Confident162 Ų16262.9 Ų62.961%0.61130%0.304SS*.THydrogen-bonded Turntrans-81.3-30.1174.778.817897.2-176.59.1112.8Q103 R108Q103-R105 HydrophobicContact CB-CG 4.09Å; Q103-R105 PolarHBondContact O-N 3.4Å; R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.43Å
106D78.5Confident81.2Confident30 Ų3061.9 Ų61.916%0.1630%0.303CS..G310 helixtrans-74.5-40.7-170.5-51.5-32.1000110.6Q103 R108 I123Q103-D106 WeakPolarHBondContact CB-OD2 3.38Å; Q103-D106 PolarHBondContact N-OD2 2.98Å; Q103-D106 PolarHBondContact O-N 3.37Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.15Å; D106-I123 HydrophobicContact CB-CD1 3.66Å
107L75.6Confident81.4Confident1 Ų162.2 Ų62.21%0.00531%0.305CS..G310 helixtrans-81.318.9172.5-60178000113.6K93 L96 L102 F109 V132 L141K93-L107 WeakPolarHBondContact CE-O 3.28Å; K93-L107 PolarHBondContact NZ-O 3.41Å; L96-L107 HydrophobicContact CD2-CD1 4.04Å; L96-L107 HydrophobicContact CG-CD1 4.32Å; L102-L107 HydrophobicContact CD1-CD2 4.24Å; L102-L107 HydrophobicContact CD1-CG 4.38Å; L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.06Å; L107-F109 HydrophobicContact CD2-CZ 3.74Å; L107-V132 HydrophobicContact CD2-CG2 4.3Å; L107-L141 HydrophobicContact CD2-CD1 3.99Å
108R76.5Confident81.7Confident150 Ų15066.7 Ų66.757%0.56632%0.322SS*.G310 helixtrans-82.8-25168.9-66.9-177.6-179.2-168.5-4.1111.7A104 R105 D106 Q110A104-R108 WeakPolarHBondContact O-CG 3.24Å; A104-R108 PolarHBondContact O-NE 2.98Å; R105-R108 VanDerWaalsContact O-CB 3.24Å; R105-R108 WeakPolarHBondContact O-CB 3Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.43Å; D106-R108 PolarHBondContact O-N 3.4Å; D106-R108 VanDerWaalsContact O-N 3.15Å; R108-Q110 HydrophobicContact CB-CG 4.17Å
109F74.6Confident81.6Confident19 Ų1964.8 Ų64.88%0.08332%0.316CS..  trans51.372.3179.9-63.2-62.6000109.5L107 I123 R125 K130 L141L107-F109 HydrophobicContact CB-CE2 4.31Å; L107-F109 HydrophobicContact CD2-CE2 4.06Å; L107-F109 HydrophobicContact CD2-CZ 3.74Å; F109-I123 HydrophobicContact CE1-CG2 3.85Å; F109-I123 HydrophobicContact CZ-CG2 4.49Å; F109-R125 VanDerWaalsContact CB-CD 3.49Å; F109-R125 HydrophobicContact CD1-CB 3.93Å; F109-R125 HydrophobicContact CD1-CG 4.33Å; F109-R125 HydrophobicContact CE1-CB 4.42Å; F109-R125 PolarHBondContact O-NH1 2.89Å; F109-K130 HydrophobicContact CD1-CG 4.23Å; F109-K130 HydrophobicContact CD2-CD 3.74Å; F109-K130 HydrophobicContact CD2-CG 4.13Å; F109-K130 HydrophobicContact CE1-CB 4.18Å; F109-K130 HydrophobicContact CE1-CG 4.12Å; F109-K130 HydrophobicContact CE2-CB 4.22Å; F109-K130 HydrophobicContact CE2-CD 3.74Å; F109-K130 HydrophobicContact CE2-CG 4.04Å; F109-K130 HydrophobicContact CG-CD 4.24Å; F109-K130 HydrophobicContact CG-CG 4.23Å; F109-K130 HydrophobicContact CZ-CB 3.89Å; F109-K130 HydrophobicContact CZ-CD 4.24Å; F109-K130 HydrophobicContact CZ-CG 4.04Å; F109-L141 HydrophobicContact CE2-CD1 4.08Å; F109-L141 HydrophobicContact CZ-CD1 3.81Å
110Q74.9Confident81.7Confident141 Ų14163 Ų6366%0.65931%0.31SS*.  trans-84-42.3-178-70.1-179.3-6.500111.7R108R108-Q110 HydrophobicContact CB-CG 4.17Å
111H78.9Confident82Confident129 Ų12965.5 Ų65.560%0.59732%0.319SS*.SBendtrans-85.8142.3-179.8-59.2-72.1000111.8M113 R125H111-M113 VanDerWaalsContact C-N 3.33Å; H111-M113 WeakPolarHBondContact CB-O 3.39Å; H111-R125 VanDerWaalsContact O-CD 3.26Å; H111-R125 WeakPolarHBondContact O-CD 3.49Å; H111-R125 PolarHBondContact O-NH1 3.4Å
112V81.2Confident82.4Confident80 Ų8063 Ų6349%0.48530%0.298SS..SBendtrans-65.5-37.9-176.6179.10000111.7E127V112-E127 PolarHBondContact O-N 3.45Å
113M87.8Confident82.8Confident12 Ų1262.6 Ų62.66%0.05930%0.296CS..EExtended strand (participates in β ladder)trans-124131.7170.1-17462.863.800107.3H111 R125 M126 W185 I239 F240 S243H111-M113 VanDerWaalsContact C-N 3.33Å; H111-M113 WeakPolarHBondContact CB-O 3.39Å; M113-R125 CarbonylContact C-O 3.52Å; M113-R125 VanDerWaalsContact CA-O 3.3Å; M113-R125 WeakPolarHBondContact CA-O 3.34Å; M113-M126 HydrophobicContact CE-CB 3.88Å; M113-M126 HydrophobicContact CE-CG 3.82Å; M113-M126 HydrophobicContact SD-CB 4Å; M113-M126 HydrophobicContact SD-CG 3.42Å; M113-M126 WeakPolarHBondContact SD-CG 3.02Å; M113-W185 HydrophobicContact CE-CD2 4.24Å; M113-W185 HydrophobicContact CE-CZ2 3.73Å; M113-I239 HydrophobicContact CB-CG2 3.52Å; M113-I239 HydrophobicContact CG-CG2 4.38Å; M113-F240 HydrophobicContact CE-CB 4.3Å; M113-F240 HydrophobicContact CE-CD2 3.97Å; M113-F240 HydrophobicContact SD-CD2 4.15Å; M113-S243 VanDerWaalsContact CG-OG 3.31Å; M113-S243 WeakPolarHBondContact CG-OG 3.15Å
114S88.2Confident83.3Confident21 Ų2158.1 Ų58.115%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-162.4133.5171.661.50000110.3I124 R125S114-I124 WeakPolarHBondContact O-CA 3.47Å; S114-R125 PolarHBondContact N-O 3.31Å; S114-R125 PolarHBondContact O-N 3.24Å
115I89.8Confident83.9Confident16 Ų1658 Ų588%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-117.6118.4168.9-63.8168.6000105.3I122 I124 M126 I244 L247 L257I115-I122 HydrophobicContact CG2-CG2 4.14Å; I115-I124 HydrophobicContact CG1-CD1 4.44Å; I115-I124 HydrophobicContact CG1-CG1 4.18Å; I115-I124 HydrophobicContact CG1-CG2 4.17Å; I115-I124 HydrophobicContact CG2-CG1 4.27Å; I115-M126 HydrophobicContact CD1-CE 4.42Å; I115-I244 HydrophobicContact CD1-CD1 3.96Å; I115-L247 HydrophobicContact CB-CD1 3.81Å; I115-L247 HydrophobicContact CB-CD2 4.32Å; I115-L247 HydrophobicContact CD1-CD1 3.74Å; I115-L247 HydrophobicContact CG1-CD1 4.37Å; I115-L247 HydrophobicContact CG2-CD1 3.73Å; I115-L247 HydrophobicContact CG2-CD2 4.15Å; I115-L257 HydrophobicContact CG2-CD2 4.04Å
116T88.3Confident84.3Confident50 Ų5050.3 Ų50.331%0.30724%0.236SC..EExtended strand (participates in β ladder)trans-137.3139.6-176.556.10000110.1I123T116-I123 PolarHBondContact N-O 3.44Å; T116-I123 PolarHBondContact O-N 3.11Å
117T87.5Confident84.5Confident7 Ų752.2 Ų52.24%0.04324%0.244CC..EExtended strand (participates in β ladder)trans-100.8129.7176.640.80000108.9R121 I122 E256 L257T117-R121 WeakPolarHBondContact CA-O 3.41Å; T117-I122 HydrophobicContact CG2-CG1 4.13Å; T117-E256 VanDerWaalsContact CB-OE2 3.28Å; T117-E256 WeakPolarHBondContact CB-OE2 3.49Å; T117-E256 HydrophobicContact CG2-CB 3.87Å; T117-E256 WeakPolarHBondContact CG2-O 3.48Å; T117-E256 WeakPolarHBondContact OG1-CB 3.29Å; T117-E256 PolarHBondContact OG1-OE2 3.13Å; T117-L257 HydrophobicContact CG2-CD2 3.59Å; T117-L257 HydrophobicContact CG2-CG 3.96Å
118R85.5Confident84.8Confident143 Ų14354.7 Ų54.754%0.5425%0.254SS..EExtended strand (participates in β ladder)trans-148.3129.1175.5-68.8-62178.2-169-6.8110.2L102 N120 R121L102-R118 HydrophobicContact CD2-CB 3.98Å; R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 2.88Å; R118-R121 PolarHBondContact N-O 3.14Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.24Å
119N82.1Confident85.2Confident103 Ų10347.5 Ų47.555%0.55123%0.227SC*.THydrogen-bonded Turntrans5147.6172.6-60.5-22.5000113.3A101 R121A101-N119 PolarHBondContact O-ND2 2.91Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.31Å
120N83.6Confident85.9Confident57 Ų5748.7 Ų48.731%0.30523%0.232SC..THydrogen-bonded Turntrans59.236.3-177.9-155.743.1000114R118 L259 S263R118-N120 VanDerWaalsContact C-N 3.32Å; R118-N120 PolarHBondContact O-N 2.88Å; N120-L259 VanDerWaalsContact C-CD2 3.47Å; N120-L259 WeakPolarHBondContact OD1-CD2 3.43Å; N120-L259 PolarHBondContact OD1-O 2.95Å; N120-S263 PolarHBondContact ND2-OG 3.48Å
121R87.9Confident86.6Confident52 Ų5242 Ų4220%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-141143.8175.9-55.6177.6-167.1-13220.2109.2E99 L100 T117 R118 N119 V132 I133 T134E99-R121 PolarHBondContact O-NH2 3.05Å; L100-R121 VanDerWaalsContact CA-NH1 3.29Å; L100-R121 WeakPolarHBondContact O-CD 3.29Å; L100-R121 PolarHBondContact O-NE 3.36Å; L100-R121 PolarHBondContact O-NH2 2.82Å; T117-R121 WeakPolarHBondContact CA-O 3.41Å; R118-R121 PolarHBondContact N-O 3.14Å; R118-R121 WeakPolarHBondContact O-CB 3.44Å; R118-R121 PolarHBondContact O-N 3.24Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 3.31Å; R121-V132 HydrophobicContact CB-CG1 4.4Å; R121-I133 WeakPolarHBondContact CA-O 3.16Å; R121-T134 HydrophobicContact CG-CG2 4.16Å
122I90.3Very high87.2Confident0 Ų035.8 Ų35.80%017%0.172CC..EExtended strand (participates in β ladder)trans-102.6128.4177.6-51.5153.6000107.7I115 T117 I124 V132 I133 E174 I178 L257 L259I115-I122 HydrophobicContact CG2-CG2 4.14Å; T117-I122 HydrophobicContact CG2-CG1 4.13Å; I122-I124 HydrophobicContact CG2-CD1 4.11Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I122-V132 CarbonylContact O-C 3.58Å; I122-V132 VanDerWaalsContact O-CA 3.29Å; I122-V132 WeakPolarHBondContact O-CA 3.3Å; I122-I133 HydrophobicContact CB-CB 4.05Å; I122-I133 HydrophobicContact CB-CD1 4.31Å; I122-I133 HydrophobicContact CB-CG1 4.29Å; I122-I133 HydrophobicContact CD1-CB 4.21Å; I122-I133 HydrophobicContact CD1-CD1 4.26Å; I122-I133 HydrophobicContact CD1-CG2 4.41Å; I122-I133 HydrophobicContact CG2-CD1 4.48Å; I122-I133 PolarHBondContact N-O 3.12Å; I122-I133 PolarHBondContact O-N 3.06Å; I122-E174 HydrophobicContact CD1-CB 4.23Å; I122-I178 HydrophobicContact CD1-CD1 3.75Å; I122-I178 HydrophobicContact CD1-CG1 4.32Å; I122-L257 HydrophobicContact CD1-CD2 4.16Å; I122-L257 HydrophobicContact CG1-CD2 4Å; I122-L257 HydrophobicContact CG2-CD2 3.81Å; I122-L259 HydrophobicContact CD1-CD1 3.87Å; I122-L259 HydrophobicContact CD1-CD2 4.42Å; I122-L259 HydrophobicContact CD1-CG 3.95Å; I122-L259 HydrophobicContact CG1-CD1 3.99Å; I122-L259 HydrophobicContact CG1-CD2 4.05Å; I122-L259 HydrophobicContact CG1-CG 4.1Å
123I90.8Very high87.7Confident2 Ų232 Ų321%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-110.5116.7176.5-53.3170.7000106.7L102 D106 F109 T116L102-I123 HydrophobicContact CD1-CD1 3.68Å; L102-I123 HydrophobicContact CD1-CG1 4.1Å; L102-I123 HydrophobicContact CD2-CD1 3.78Å; L102-I123 HydrophobicContact CD2-CG1 4.48Å; L102-I123 HydrophobicContact CG-CD1 4.32Å; D106-I123 HydrophobicContact CB-CD1 3.66Å; F109-I123 HydrophobicContact CE1-CG2 3.85Å; F109-I123 HydrophobicContact CZ-CG2 4.49Å; T116-I123 PolarHBondContact N-O 3.44Å; T116-I123 PolarHBondContact O-N 3.11Å
124I90.8Very high87.7Confident0 Ų032.1 Ų32.10%015%0.15CC..EExtended strand (participates in β ladder)trans-114.5131.7-179.8-59-169.8000108.8S114 I115 I122 M126 A131 I133 I178 L181S114-I124 WeakPolarHBondContact O-CA 3.47Å; I115-I124 HydrophobicContact CG1-CD1 4.44Å; I115-I124 HydrophobicContact CG1-CG1 4.18Å; I115-I124 HydrophobicContact CG1-CG2 4.17Å; I115-I124 HydrophobicContact CG2-CG1 4.27Å; I122-I124 HydrophobicContact CG2-CD1 4.11Å; I122-I124 HydrophobicContact CG2-CG1 3.76Å; I124-M126 HydrophobicContact CG2-CE 3.61Å; I124-M126 HydrophobicContact CG2-CG 3.87Å; I124-M126 HydrophobicContact CG2-SD 3.86Å; I124-A131 HydrophobicContact CB-CB 4.37Å; I124-A131 PolarHBondContact N-O 2.89Å; I124-A131 PolarHBondContact O-N 2.92Å; I124-I133 HydrophobicContact CD1-CD1 3.77Å; I124-I133 HydrophobicContact CG1-CD1 4.46Å; I124-I178 HydrophobicContact CD1-CG1 4.33Å; I124-L181 HydrophobicContact CD1-CD1 3.9Å
125R89.5Confident87.4Confident44 Ų4432.3 Ų32.317%0.16615%0.151CC..EExtended strand (participates in β ladder)trans-124.9125.9164.9176.9161.9-176-15119.2109.8F109 H111 M113 S114 L129F109-R125 VanDerWaalsContact CB-CD 3.49Å; F109-R125 HydrophobicContact CD1-CB 3.93Å; F109-R125 HydrophobicContact CD1-CG 4.33Å; F109-R125 HydrophobicContact CE1-CB 4.42Å; F109-R125 PolarHBondContact O-NH1 2.89Å; H111-R125 VanDerWaalsContact O-CD 3.26Å; H111-R125 WeakPolarHBondContact O-CD 3.49Å; H111-R125 PolarHBondContact O-NH1 3.4Å; M113-R125 CarbonylContact C-O 3.52Å; M113-R125 VanDerWaalsContact CA-O 3.3Å; M113-R125 WeakPolarHBondContact CA-O 3.34Å; S114-R125 PolarHBondContact N-O 3.31Å; S114-R125 PolarHBondContact O-N 3.24Å; R125-L129 WeakPolarHBondContact CA-O 3.37Å
126M87.8Confident87.1Confident0 Ų036.3 Ų36.30%017%0.169CC..EExtended strand (participates in β ladder)trans-130.588.4175.7-68.2163.5174.500108.8M113 I115 I124 Y128 L129 L181 L182 W185 F240M113-M126 HydrophobicContact CE-CB 3.88Å; M113-M126 HydrophobicContact CE-CG 3.82Å; M113-M126 HydrophobicContact SD-CB 4Å; M113-M126 HydrophobicContact SD-CG 3.42Å; M113-M126 WeakPolarHBondContact SD-CG 3.02Å; I115-M126 HydrophobicContact CD1-CE 4.42Å; I124-M126 HydrophobicContact CG2-CE 3.61Å; I124-M126 HydrophobicContact CG2-CG 3.87Å; I124-M126 HydrophobicContact CG2-SD 3.86Å; M126-Y128 PolarHBondContact O-N 3.44Å; M126-L129 HydrophobicContact CB-CB 4.21Å; M126-L129 HydrophobicContact CB-CD2 4.39Å; M126-L129 PolarHBondContact N-O 3.23Å; M126-L129 PolarHBondContact O-N 3.17Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; M126-L181 HydrophobicContact CE-CB 4.44Å; M126-L181 HydrophobicContact SD-CB 4.39Å; M126-L182 HydrophobicContact CE-CD2 3.53Å; M126-L182 HydrophobicContact CE-CG 4.34Å; M126-W185 HydrophobicContact CB-CD2 4.13Å; M126-W185 HydrophobicContact CB-CE3 4.02Å; M126-W185 HydrophobicContact CB-CZ3 4.47Å; M126-W185 HydrophobicContact CG-CG 4.49Å; M126-W185 HydrophobicContact SD-CB 3.95Å; M126-W185 HydrophobicContact SD-CG 4.31Å; M126-F240 HydrophobicContact CE-CE2 4.48Å
127E83.1Confident87.1Confident70 Ų7034.3 Ų34.333%0.32716%0.157SC..THydrogen-bonded Turntrans57.5-89.8-177.4-167.9-173.6-178.800112.7V112 W185 K192V112-E127 PolarHBondContact O-N 3.45Å; E127-W185 HydrophobicContact CB-CH2 3.5Å; E127-W185 HydrophobicContact CB-CZ2 4.46Å; E127-W185 HydrophobicContact CB-CZ3 3.89Å; E127-W185 HydrophobicContact CG-CH2 4.39Å; E127-W185 VanDerWaalsContact OE2-CH2 3.27Å; E127-W185 WeakPolarHBondContact OE2-CH2 3.14Å; E127-K192 IonicContact OE2-NZ 2.68Å; E127-K192 PolarHBondContact OE2-NZ 2.91Å
128Y80.9Confident87.2Confident52 Ų5234 Ų3420%0.20416%0.155CC..THydrogen-bonded Turntrans-99.1-19.8178.750.9-97.1000114M126 N145 Y184 W185 T188M126-Y128 PolarHBondContact O-N 3.44Å; Y128-N145 WeakPolarHBondContact CB-ND2 3.19Å; Y128-N145 WeakPolarHBondContact CD2-ND2 3.28Å; Y128-N145 VanDerWaalsContact CG-ND2 3.32Å; Y128-Y184 AromaticContact CE2-CE1 3.93Å; Y128-Y184 HydrophobicContact CE2-CE1 3.93Å; Y128-Y184 WeakPolarHBondContact CE2-OH 3.45Å; Y128-Y184 PolarHBondContact OH-OH 3.36Å; Y128-W185 AromaticContact CE1-CZ3 3.97Å; Y128-W185 HydrophobicContact CE1-CZ3 3.97Å; Y128-T188 WeakPolarHBondContact OH-CG2 3.49Å
129L86.3Confident87.4Confident0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-82.2123.5177.8172.263.6000109.5R125 M126 I140 L148 L181 Y184R125-L129 WeakPolarHBondContact CA-O 3.37Å; M126-L129 HydrophobicContact CB-CB 4.21Å; M126-L129 HydrophobicContact CB-CD2 4.39Å; M126-L129 PolarHBondContact N-O 3.23Å; M126-L129 PolarHBondContact O-N 3.17Å; M126-L129 HydrophobicContact SD-CD2 3.99Å; L129-I140 HydrophobicContact CD1-CD1 4.39Å; L129-I140 HydrophobicContact CD1-CG1 4.38Å; L129-I140 HydrophobicContact CD1-CG2 4.1Å; L129-L148 HydrophobicContact CD1-CD1 4.05Å; L129-L148 HydrophobicContact CD1-CD2 4.27Å; L129-L181 HydrophobicContact CD1-CD2 4.3Å; L129-L181 HydrophobicContact CD2-CD2 3.72Å; L129-L181 HydrophobicContact CG-CD2 4.39Å; L129-Y184 HydrophobicContact CD2-CD1 3.91Å; L129-Y184 HydrophobicContact CD2-CE1 4.27Å
130K88.8Confident87.8Confident43 Ų4322.6 Ų22.619%0.18711%0.105CC..EExtended strand (participates in β ladder)trans-121.2117.3174.3-65.9164.2-173.61620107.6F109 L141F109-K130 HydrophobicContact CD1-CG 4.23Å; F109-K130 HydrophobicContact CD2-CD 3.74Å; F109-K130 HydrophobicContact CD2-CG 4.13Å; F109-K130 HydrophobicContact CE1-CB 4.18Å; F109-K130 HydrophobicContact CE1-CG 4.12Å; F109-K130 HydrophobicContact CE2-CB 4.22Å; F109-K130 HydrophobicContact CE2-CD 3.74Å; F109-K130 HydrophobicContact CE2-CG 4.04Å; F109-K130 HydrophobicContact CG-CD 4.24Å; F109-K130 HydrophobicContact CG-CG 4.23Å; F109-K130 HydrophobicContact CZ-CB 3.89Å; F109-K130 HydrophobicContact CZ-CD 4.24Å; F109-K130 HydrophobicContact CZ-CG 4.04Å; K130-L141 HydrophobicContact CB-CB 3.97Å; K130-L141 HydrophobicContact CB-CD1 4.49Å; K130-L141 PolarHBondContact O-N 3.02Å
131A90.1Very high87.9Confident0 Ų020 Ų200%09%0.091CC..EExtended strand (participates in β ladder)trans-129.9146.6-177.100000111.1I124 L138 M139 I140 L181I124-A131 HydrophobicContact CB-CB 4.37Å; I124-A131 PolarHBondContact N-O 2.89Å; I124-A131 PolarHBondContact O-N 2.92Å; A131-L138 HydrophobicContact CB-CD1 4.07Å; A131-M139 CarbonylContact C-O 3.54Å; A131-M139 VanDerWaalsContact CA-O 3.3Å; A131-M139 WeakPolarHBondContact CA-O 3.29Å; A131-I140 HydrophobicContact CB-CG1 4.35Å; A131-L181 HydrophobicContact CB-CD1 3.91Å; A131-L181 HydrophobicContact CB-CD2 4.2Å
132V90.6Very high87.4Confident0 Ų019.9 Ų19.90%09%0.094CC..EExtended strand (participates in β ladder)trans-126124168.4-176.20000107.9L100 L107 R121 I122 M139 L141L100-V132 HydrophobicContact CD1-CB 4.49Å; L100-V132 HydrophobicContact CD1-CG1 4.21Å; L100-V132 HydrophobicContact CD1-CG2 4.28Å; L107-V132 HydrophobicContact CD2-CG2 4.3Å; R121-V132 HydrophobicContact CB-CG1 4.4Å; I122-V132 CarbonylContact O-C 3.58Å; I122-V132 VanDerWaalsContact O-CA 3.29Å; I122-V132 WeakPolarHBondContact O-CA 3.3Å; V132-M139 HydrophobicContact CB-CB 4.46Å; V132-M139 PolarHBondContact N-O 3.04Å; V132-M139 PolarHBondContact O-N 2.81Å; V132-L141 HydrophobicContact CG2-CD1 4.18Å
133I91.1Very high86.4Confident0 Ų022.5 Ų22.50%011%0.105CC..EExtended strand (participates in β ladder)trans-105.5131-179.7-43.8-179.5000108.1R121 I122 I124 L138 F173 E174 A177 I178 L181R121-I133 WeakPolarHBondContact CA-O 3.16Å; I122-I133 HydrophobicContact CB-CB 4.05Å; I122-I133 HydrophobicContact CB-CD1 4.31Å; I122-I133 HydrophobicContact CB-CG1 4.29Å; I122-I133 HydrophobicContact CD1-CB 4.21Å; I122-I133 HydrophobicContact CD1-CD1 4.26Å; I122-I133 HydrophobicContact CD1-CG2 4.41Å; I122-I133 HydrophobicContact CG2-CD1 4.48Å; I122-I133 PolarHBondContact N-O 3.12Å; I122-I133 PolarHBondContact O-N 3.06Å; I124-I133 HydrophobicContact CD1-CD1 3.77Å; I124-I133 HydrophobicContact CG1-CD1 4.46Å; I133-L138 HydrophobicContact CG1-CD1 3.82Å; I133-F173 HydrophobicContact CG2-CE1 4.36Å; I133-E174 HydrophobicContact CG2-CB 4.28Å; I133-A177 HydrophobicContact CD1-CB 4.03Å; I133-A177 HydrophobicContact CG1-CB 4.47Å; I133-A177 HydrophobicContact CG2-CB 3.83Å; I133-I178 HydrophobicContact CD1-CG1 3.68Å; I133-L181 HydrophobicContact CD1-CD1 3.87Å; I133-L181 HydrophobicContact CG1-CD1 4.36Å
134T87.9Confident85.2Confident15 Ų1531.5 Ų31.59%0.09214%0.138CC..  trans-118.1167.3166.174.20000108.7R121 E136 C137 F173R121-T134 HydrophobicContact CG-CG2 4.16Å; T134-E136 PolarHBondContact O-N 3.43Å; T134-C137 PolarHBondContact N-O 2.84Å; T134-C137 PolarHBondContact O-N 2.7Å; T134-C137 PolarHBondContact OG1-N 3.01Å; T134-C137 VanDerWaalsContact OG1-N 3.12Å; T134-C137 PolarHBondContact OG1-O 2.81Å; T134-C137 VanDerWaalsContact OG1-O 3.06Å; T134-C137 PolarHBondContact OG1-SG 2.8Å; T134-F173 WeakPolarHBondContact O-CD1 3.47Å
135P83.1Confident83.9Confident24 Ų2434.8 Ų34.816%0.15616%0.156CC..SBendtrans-57.9-23.7179.7-23.531.6000114.5F173 L259P135-F173 WeakPolarHBondContact O-CB 2.77Å; P135-L259 HydrophobicContact CG-CB 3.91Å; P135-L259 HydrophobicContact CG-CD1 4.39Å
136E83.3Confident82.6Confident101 Ų10139 Ų3947%0.47218%0.181SC..SBendtrans-112.5-19.2-173.5-61-67.2147.200112.9K82 T134K82-E136 WeakPolarHBondContact CE-OE2 3.45Å; K82-E136 IonicContact NZ-OE2 3.28Å; K82-E136 PolarHBondContact NZ-OE2 3.06Å; T134-E136 PolarHBondContact O-N 3.43Å
137C87.9Confident81.6Confident8 Ų844.9 Ų44.95%0.05421%0.212CC..EExtended strand (participates in β ladder)trans-154.1150.5-176.167.70000114.4K79 F80 T134K79-C137 HydrophobicContact CD-CB 4.37Å; K79-C137 VanDerWaalsContact CE-CB 3.42Å; K79-C137 WeakPolarHBondContact CE-SG 3.31Å; K79-C137 HydrophobicContact CG-CB 3.97Å; F80-C137 CarbonylContact O-C 3.58Å; F80-C137 WeakPolarHBondContact O-CA 3.33Å; F80-C137 WeakPolarHBondContact O-CB 3.33Å; T134-C137 PolarHBondContact N-O 2.84Å; T134-C137 PolarHBondContact O-N 2.7Å; T134-C137 PolarHBondContact OG1-N 3.01Å; T134-C137 VanDerWaalsContact OG1-N 3.12Å; T134-C137 PolarHBondContact OG1-O 2.81Å; T134-C137 VanDerWaalsContact OG1-O 3.06Å; T134-C137 PolarHBondContact OG1-SG 2.8Å
138L90.4Very high81.2Confident0 Ų041.7 Ų41.70%020%0.197CC..EExtended strand (participates in β ladder)trans-104.5128172.5168.267.7000108.7K79 F80 A131 I133 I140 L156 L160 F173 L181K79-L138 CarbonylContact C-O 3.51Å; K79-L138 WeakPolarHBondContact CA-O 3.43Å; F80-L138 HydrophobicContact CB-CB 4.27Å; F80-L138 PolarHBondContact N-O 2.99Å; F80-L138 PolarHBondContact O-N 3.22Å; A131-L138 HydrophobicContact CB-CD1 4.07Å; I133-L138 HydrophobicContact CG1-CD1 3.82Å; L138-I140 HydrophobicContact CD2-CD1 4.3Å; L138-I140 HydrophobicContact CG-CG1 4.41Å; L138-L156 HydrophobicContact CD2-CD1 4.01Å; L138-L156 HydrophobicContact CD2-CD2 3.96Å; L138-L156 HydrophobicContact CD2-CG 4.45Å; L138-L160 HydrophobicContact CD2-CD1 4.17Å; L138-L160 HydrophobicContact CD2-CD2 4.41Å; L138-F173 HydrophobicContact CB-CE1 4.1Å; L138-F173 HydrophobicContact CB-CZ 3.83Å; L138-L181 HydrophobicContact CD1-CD1 4.02Å
139M89.4Confident81Confident7 Ų742.5 Ų42.53%0.03420%0.203CC..EExtended strand (participates in β ladder)trans-115.3119178.1-65-174175.800110.4V77 T78 K79 Y89 L100 A131 V132V77-M139 HydrophobicContact CG1-CB 4Å; V77-M139 HydrophobicContact CG1-CG 4.25Å; V77-M139 HydrophobicContact CG1-SD 4.26Å; T78-M139 WeakPolarHBondContact O-CA 3.34Å; K79-M139 HydrophobicContact CB-CG 4.33Å; K79-M139 HydrophobicContact CD-CE 4.09Å; K79-M139 HydrophobicContact CG-CE 4.25Å; K79-M139 HydrophobicContact CG-CG 4.25Å; Y89-M139 WeakPolarHBondContact OH-CE 3.36Å; L100-M139 HydrophobicContact CD2-CE 4.34Å; L100-M139 HydrophobicContact CD2-SD 3.8Å; A131-M139 CarbonylContact C-O 3.54Å; A131-M139 VanDerWaalsContact CA-O 3.3Å; A131-M139 WeakPolarHBondContact CA-O 3.29Å; V132-M139 HydrophobicContact CB-CB 4.46Å; V132-M139 PolarHBondContact N-O 3.04Å; V132-M139 PolarHBondContact O-N 2.81Å
140I89.4Confident80.6Confident0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-101.7128.1174.9-68.4170.2000109.1V77 T78 F80 L129 A131 L138 L148 W151 L152 L156V77-I140 WeakPolarHBondContact CA-O 3.46Å; T78-I140 PolarHBondContact N-O 3.07Å; T78-I140 PolarHBondContact O-N 3Å; F80-I140 HydrophobicContact CE2-CD1 4.11Å; L129-I140 HydrophobicContact CD1-CD1 4.39Å; L129-I140 HydrophobicContact CD1-CG1 4.38Å; L129-I140 HydrophobicContact CD1-CG2 4.1Å; A131-I140 HydrophobicContact CB-CG1 4.35Å; L138-I140 HydrophobicContact CD2-CD1 4.3Å; L138-I140 HydrophobicContact CG-CG1 4.41Å; I140-L148 HydrophobicContact CG2-CD2 4.28Å; I140-W151 HydrophobicContact CD1-CZ3 4.39Å; I140-L152 HydrophobicContact CB-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD1 3.2Å; I140-L152 HydrophobicContact CG1-CD1 4.27Å; I140-L152 HydrophobicContact CG2-CD1 4.32Å; I140-L156 HydrophobicContact CD1-CD2 3.65Å
141L85.8Confident80.3Confident1 Ų148.9 Ų48.91%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-102.6128.7-174.7-55172.9000110.1V77 L96 L107 F109 K130 V132V77-L141 HydrophobicContact CB-CD2 4.33Å; V77-L141 HydrophobicContact CG1-CD2 4.06Å; V77-L141 HydrophobicContact CG2-CD2 3.66Å; L96-L141 HydrophobicContact CD2-CD1 4.45Å; L96-L141 HydrophobicContact CD2-CD2 3.66Å; L107-L141 HydrophobicContact CD2-CD1 3.99Å; F109-L141 HydrophobicContact CE2-CD1 4.08Å; F109-L141 HydrophobicContact CZ-CD1 3.81Å; K130-L141 HydrophobicContact CB-CB 3.97Å; K130-L141 HydrophobicContact CB-CD1 4.49Å; K130-L141 PolarHBondContact O-N 3.02Å; V132-L141 HydrophobicContact CG2-CD1 4.18Å
142D78.1Confident79.9Confident50 Ų5048.9 Ų48.927%0.26723%0.233SC..  trans56.663.7170.2-160.123.6000113.4F75 A76 R144F75-D142 HydrophobicContact CD1-CB 4.46Å; A76-D142 PolarHBondContact O-N 2.94Å; D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 VanDerWaalsContact OD1-CD 3.27Å; D142-R144 WeakPolarHBondContact OD1-CD 3.38Å; D142-R144 VanDerWaalsContact OD1-CG 3.32Å; D142-R144 WeakPolarHBondContact OD1-CG 3.37Å; D142-R144 IonicContact OD1-CZ 2.71Å; D142-R144 IonicContact OD1-NE 3.98Å; D142-R144 PolarHBondContact OD1-NE 2.72Å
143Y68.6Low79.3Confident56 Ų5653.7 Ų53.722%0.2225%0.254CS..  trans-76.121.6-172.963.2-93.7000115.7A76 T78 N145 E149 L152A76-Y143 HydrophobicContact CB-CE1 4.36Å; T78-Y143 WeakPolarHBondContact OG1-CD1 3.49Å; T78-Y143 WeakPolarHBondContact OG1-CE1 3.19Å; Y143-N145 PolarHBondContact O-N 3.38Å; Y143-E149 HydrophobicContact CD2-CG 3.74Å; Y143-E149 HydrophobicContact CE2-CG 4.12Å; Y143-L152 HydrophobicContact CD1-CD2 4.48Å; Y143-L152 HydrophobicContact CD2-CD2 4.31Å; Y143-L152 HydrophobicContact CG-CD2 4.01Å
144R65.9Low78.7Confident190 Ų19063.7 Ų63.772%0.71729%0.292SS*.  trans-62.69.6-165.9-63.4-177.8-171.4-137.9-7.4116.9D142D142-R144 PolarHBondContact O-N 2.91Å; D142-R144 VanDerWaalsContact OD1-CD 3.27Å; D142-R144 WeakPolarHBondContact OD1-CD 3.38Å; D142-R144 VanDerWaalsContact OD1-CG 3.32Å; D142-R144 WeakPolarHBondContact OD1-CG 3.37Å; D142-R144 IonicContact OD1-CZ 2.71Å; D142-R144 IonicContact OD1-NE 3.98Å; D142-R144 PolarHBondContact OD1-NE 2.72Å
145N64.9Low78.3Confident70 Ų7066.9 Ų66.937%0.37431%0.305SS..  trans-95.6124.2174.1-71.3-21.8000110.6Y128 Y143 N147 L148 E149Y128-N145 WeakPolarHBondContact CB-ND2 3.19Å; Y128-N145 WeakPolarHBondContact CD2-ND2 3.28Å; Y128-N145 VanDerWaalsContact CG-ND2 3.32Å; Y143-N145 PolarHBondContact O-N 3.38Å; N145-N147 PolarHBondContact O-N 2.98Å; N145-N147 VanDerWaalsContact O-N 3.17Å; N145-L148 HydrophobicContact CB-CB 4.22Å; N145-L148 WeakPolarHBondContact O-CA 3.42Å; N145-L148 WeakPolarHBondContact O-CB 3.45Å; N145-L148 PolarHBondContact O-N 2.93Å; N145-E149 PolarHBondContact O-N 3.17Å
146L60.4Low78.3Confident133 Ų13365.7 Ų65.770%0.69630%0.298SS*.Hα-helixtrans-54-36.7179.8-68.5161.3000113.4L148 E149L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.79Å; L146-E149 PolarHBondContact O-N 2.84Å
147N68.4Low78.2Confident122 Ų12262 Ų6265%0.65228%0.282SS*.Hα-helixtrans-69.3-28.4178.6-62.8-12.4000112.3N145N145-N147 PolarHBondContact O-N 2.98Å; N145-N147 VanDerWaalsContact O-N 3.17Å
148L73.6Confident77.8Confident3 Ų363.8 Ų63.82%0.01630%0.295CS..Hα-helixtrans-76-42.3178-17366.3000110L129 I140 N145 L146 Q150 W151 L152 Y184L129-L148 HydrophobicContact CD1-CD1 4.05Å; L129-L148 HydrophobicContact CD1-CD2 4.27Å; I140-L148 HydrophobicContact CG2-CD2 4.28Å; N145-L148 HydrophobicContact CB-CB 4.22Å; N145-L148 WeakPolarHBondContact O-CA 3.42Å; N145-L148 WeakPolarHBondContact O-CB 3.45Å; N145-L148 PolarHBondContact O-N 2.93Å; L146-L148 VanDerWaalsContact C-N 3.28Å; L146-L148 PolarHBondContact O-N 2.79Å; L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.14Å; L148-W151 HydrophobicContact CD1-CE3 3.94Å; L148-W151 HydrophobicContact CD1-CZ3 4.21Å; L148-W151 PolarHBondContact O-N 2.95Å; L148-L152 WeakPolarHBondContact O-CB 3.18Å; L148-L152 PolarHBondContact O-N 3.47Å; L148-Y184 HydrophobicContact CD1-CE1 3.78Å; L148-Y184 HydrophobicContact CD1-CE2 4.31Å
149E76.3Confident77.3Confident69 Ų6966.4 Ų66.432%0.32231%0.307SS..Hα-helixtrans-54.5-45.5179.8-70.2-177.5173.100113Y143 N145 L146 W151 L152 F153Y143-E149 HydrophobicContact CD2-CG 3.74Å; Y143-E149 HydrophobicContact CE2-CG 4.12Å; N145-E149 PolarHBondContact O-N 3.17Å; L146-E149 PolarHBondContact O-N 2.84Å; E149-W151 PolarHBondContact O-N 3.41Å; E149-L152 PolarHBondContact O-N 2.89Å; E149-F153 HydrophobicContact CB-CD2 4.42Å; E149-F153 HydrophobicContact CB-CE2 4.42Å; E149-F153 HydrophobicContact CG-CE2 4.5Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.34Å; E149-F153 VanDerWaalsContact O-N 3.14Å
150Q79.3Confident76.8Confident152 Ų15266 Ų6671%0.7131%0.306SS*.Hα-helixtrans-61.5-44.4-179.2-72-175.2-8.400112.5L148 R154L148-Q150 VanDerWaalsContact C-N 3.33Å; L148-Q150 PolarHBondContact O-N 3.14Å; Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 PolarHBondContact O-N 3.32Å
151W82.9Confident75.9Confident25 Ų2567.9 Ų67.910%0.09532%0.321CS..Hα-helixtrans-71.1-43.3177.4173.280.3000111.6I140 L148 E149 F153 R154 E155 L156 A180 L181 Y184I140-W151 HydrophobicContact CD1-CZ3 4.39Å; L148-W151 HydrophobicContact CD1-CE3 3.94Å; L148-W151 HydrophobicContact CD1-CZ3 4.21Å; L148-W151 PolarHBondContact O-N 2.95Å; E149-W151 PolarHBondContact O-N 3.41Å; W151-F153 VanDerWaalsContact C-N 3.33Å; W151-F153 PolarHBondContact O-N 3.42Å; W151-R154 PolarHBondContact O-N 3.42Å; W151-E155 HydrophobicContact CG-CB 4.4Å; W151-E155 PolarHBondContact O-N 3.33Å; W151-L156 HydrophobicContact CE3-CB 4.49Å; W151-L156 HydrophobicContact CH2-CB 4.15Å; W151-L156 HydrophobicContact CH2-CD1 3.61Å; W151-L156 HydrophobicContact CH2-CD2 4.02Å; W151-L156 HydrophobicContact CH2-CG 4.13Å; W151-L156 HydrophobicContact CZ2-CB 4.1Å; W151-L156 HydrophobicContact CZ2-CD1 3.8Å; W151-L156 HydrophobicContact CZ2-CG 4.42Å; W151-L156 HydrophobicContact CZ3-CB 4.33Å; W151-L156 HydrophobicContact CZ3-CD1 4.39Å; W151-L156 HydrophobicContact CZ3-CD2 3.98Å; W151-L156 HydrophobicContact CZ3-CG 4.46Å; W151-L156 PolarHBondContact O-N 3.29Å; W151-L156 VanDerWaalsContact O-N 3.11Å; W151-A180 HydrophobicContact CZ2-CB 4.33Å; W151-A180 VanDerWaalsContact CZ2-O 3.31Å; W151-A180 WeakPolarHBondContact CZ2-O 3.24Å; W151-L181 HydrophobicContact CH2-CD2 4.1Å; W151-Y184 HydrophobicContact CB-CD2 3.95Å; W151-Y184 HydrophobicContact CB-CE2 3.8Å; W151-Y184 AromaticContact CD1-CD2 3.72Å; W151-Y184 AromaticContact CD2-CD2 3.28Å; W151-Y184 HydrophobicContact CD2-CD2 3.28Å; W151-Y184 AromaticContact CD2-CE2 3.87Å; W151-Y184 HydrophobicContact CD2-CE2 3.87Å; W151-Y184 AromaticContact CD2-CG 3.81Å; W151-Y184 HydrophobicContact CD2-CG 3.81Å; W151-Y184 AromaticContact CE2-CD2 3.66Å; W151-Y184 AromaticContact CE2-CG 3.87Å; W151-Y184 AromaticContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CE2 4.05Å; W151-Y184 AromaticContact CE3-CG 3.97Å; W151-Y184 HydrophobicContact CE3-CG 3.97Å; W151-Y184 AromaticContact CG-CD2 3.37Å; W151-Y184 HydrophobicContact CG-CD2 3.37Å; W151-Y184 AromaticContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CG 4.33Å; W151-Y184 HydrophobicContact CH2-CG 4.2Å; W151-Y184 HydrophobicContact CZ2-CD2 4.35Å; W151-Y184 HydrophobicContact CZ2-CG 4.1Å; W151-Y184 HydrophobicContact CZ3-CD2 4.36Å; W151-Y184 HydrophobicContact CZ3-CG 4.15Å; W151-Y184 AromaticContact NE1-CD2 3.88Å
152L80.2Confident74.9Confident0 Ų069.8 Ų69.80%034%0.341CS..Hα-helixtrans-57-40.5-176.3-176.473.8000113.3T78 F80 I140 Y143 L148 E149 L156 P157T78-L152 HydrophobicContact CG2-CD2 4.42Å; F80-L152 WeakPolarHBondContact CE1-O 3.46Å; F80-L152 HydrophobicContact CE2-CD1 3.56Å; F80-L152 HydrophobicContact CE2-CG 4.25Å; F80-L152 HydrophobicContact CZ-CD1 3.4Å; F80-L152 VanDerWaalsContact CZ-CD1 3.4Å; F80-L152 HydrophobicContact CZ-CD2 4.47Å; F80-L152 HydrophobicContact CZ-CG 3.65Å; I140-L152 HydrophobicContact CB-CD1 4.28Å; I140-L152 HydrophobicContact CD1-CD1 3.2Å; I140-L152 HydrophobicContact CG1-CD1 4.27Å; I140-L152 HydrophobicContact CG2-CD1 4.32Å; Y143-L152 HydrophobicContact CD1-CD2 4.48Å; Y143-L152 HydrophobicContact CD2-CD2 4.31Å; Y143-L152 HydrophobicContact CG-CD2 4.01Å; L148-L152 WeakPolarHBondContact O-CB 3.18Å; L148-L152 PolarHBondContact O-N 3.47Å; E149-L152 PolarHBondContact O-N 2.89Å; L152-L156 HydrophobicContact CD1-CD2 3.77Å; L152-P157 WeakPolarHBondContact O-CD 3.36Å
153F77.9Confident73.9Confident102 Ų10275.3 Ų75.345%0.44737%0.365SS..Hα-helixtrans-97.9-18.8-176.6-65.7-67.4000114.1T78 V86 E149 W151T78-F153 HydrophobicContact CG2-CE1 4.46Å; V86-F153 HydrophobicContact CG1-CD1 4.25Å; V86-F153 HydrophobicContact CG1-CE1 3.9Å; E149-F153 HydrophobicContact CB-CD2 4.42Å; E149-F153 HydrophobicContact CB-CE2 4.42Å; E149-F153 HydrophobicContact CG-CE2 4.5Å; E149-F153 WeakPolarHBondContact O-CD2 3.29Å; E149-F153 PolarHBondContact O-N 3.34Å; E149-F153 VanDerWaalsContact O-N 3.14Å; W151-F153 VanDerWaalsContact C-N 3.33Å; W151-F153 PolarHBondContact O-N 3.42Å
154R78.6Confident73.1Confident210 Ų21075 Ų7579%0.79238%0.379SS*.Hα-helixtrans-105.2-38.2-173.1-168.3171.1175-112.6-2.7113.9Q150 W151Q150-R154 WeakPolarHBondContact O-CB 3.42Å; Q150-R154 PolarHBondContact O-N 3.32Å; W151-R154 PolarHBondContact O-N 3.42Å
155E79.5Confident72.1Confident81 Ų8175.2 Ų75.238%0.37939%0.388SS..THydrogen-bonded Turntrans-112.1-40-168.1-175.464.1-141.900111.6W151 S158 Q159W151-E155 HydrophobicContact CG-CB 4.4Å; W151-E155 PolarHBondContact O-N 3.33Å; E155-S158 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-OG 3.24Å; E155-Q159 HydrophobicContact CG-CG 4.5Å; E155-Q159 VanDerWaalsContact CG-NE2 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.24Å; E155-Q159 VanDerWaalsContact O-N 3.14Å; E155-Q159 PolarHBondContact OE1-NE2 3.38Å
156L83Confident71.1Confident0 Ų079.7 Ų79.70%041%0.411CS..Hα-helixtrans-61.6-43.6-179.2179.764.5000113.7F80 L138 I140 W151 L152 S158 Q159 L160 A180F80-L156 HydrophobicContact CD1-CD2 4.13Å; F80-L156 HydrophobicContact CD1-CG 4.42Å; F80-L156 HydrophobicContact CD2-CD2 4.06Å; F80-L156 HydrophobicContact CE1-CD2 3.91Å; F80-L156 HydrophobicContact CE1-CG 4.39Å; F80-L156 HydrophobicContact CE2-CD2 3.86Å; F80-L156 HydrophobicContact CG-CD2 4.23Å; F80-L156 HydrophobicContact CZ-CD2 3.81Å; L138-L156 HydrophobicContact CD2-CD1 4.01Å; L138-L156 HydrophobicContact CD2-CD2 3.96Å; L138-L156 HydrophobicContact CD2-CG 4.45Å; I140-L156 HydrophobicContact CD1-CD2 3.65Å; W151-L156 HydrophobicContact CE3-CB 4.49Å; W151-L156 HydrophobicContact CH2-CB 4.15Å; W151-L156 HydrophobicContact CH2-CD1 3.61Å; W151-L156 HydrophobicContact CH2-CD2 4.02Å; W151-L156 HydrophobicContact CH2-CG 4.13Å; W151-L156 HydrophobicContact CZ2-CB 4.1Å; W151-L156 HydrophobicContact CZ2-CD1 3.8Å; W151-L156 HydrophobicContact CZ2-CG 4.42Å; W151-L156 HydrophobicContact CZ3-CB 4.33Å; W151-L156 HydrophobicContact CZ3-CD1 4.39Å; W151-L156 HydrophobicContact CZ3-CD2 3.98Å; W151-L156 HydrophobicContact CZ3-CG 4.46Å; W151-L156 PolarHBondContact O-N 3.29Å; W151-L156 VanDerWaalsContact O-N 3.11Å; L152-L156 HydrophobicContact CD1-CD2 3.77Å; L156-S158 PolarHBondContact O-N 2.85Å; L156-Q159 PolarHBondContact O-N 3.18Å; L156-L160 HydrophobicContact CD1-CD1 3.78Å; L156-L160 HydrophobicContact CD1-CD2 4.5Å; L156-L160 HydrophobicContact CD1-CG 3.93Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.68Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.41Å; L156-A180 HydrophobicContact CD1-CB 3.69Å
157P82.4Confident70.4Confident23 Ų2377.2 Ų77.215%0.14940%0.401CS..Hα-helixtrans-62.5-39.6179.5-24.836.5000113.3F80 V86 L152 L160 A161F80-P157 HydrophobicContact CD1-CG 4.45Å; F80-P157 HydrophobicContact CE1-CG 4.15Å; V86-P157 HydrophobicContact CG2-CG 4.05Å; L152-P157 WeakPolarHBondContact O-CD 3.36Å; P157-L160 PolarHBondContact O-N 3.3Å; P157-A161 VanDerWaalsContact O-CB 3.29Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.15Å
158S78.6Confident69.2Low46 Ų4677.3 Ų77.332%0.32241%0.407SS..Hα-helixtrans-68.1-36.5177.639.90000112.4E155 L156E155-S158 PolarHBondContact O-N 3.35Å; E155-S158 PolarHBondContact O-OG 3.24Å; L156-S158 PolarHBondContact O-N 2.85Å
159Q79.3Confident68.2Low54 Ų5486 Ų8625%0.25244%0.441SS..Hα-helixtrans-68-41174.7-69.6-179.24.900111.4E155 L156 G162 A180E155-Q159 HydrophobicContact CG-CG 4.5Å; E155-Q159 VanDerWaalsContact CG-NE2 3.26Å; E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.24Å; E155-Q159 VanDerWaalsContact O-N 3.14Å; E155-Q159 PolarHBondContact OE1-NE2 3.38Å; L156-Q159 PolarHBondContact O-N 3.18Å; Q159-G162 PolarHBondContact O-N 2.91Å; Q159-A180 HydrophobicContact CB-CB 4.32Å; Q159-A180 VanDerWaalsContact OE1-CB 3.27Å
160L78.8Confident67.6Low0 Ų088 Ų880%046%0.459CS..Hα-helixtrans-71.1-35.5178-69.9168.3000113.3F80 L138 L156 P157 G162 F173 R176 A177F80-L160 HydrophobicContact CB-CD1 3.57Å; F80-L160 HydrophobicContact CD1-CD1 4.02Å; F80-L160 HydrophobicContact CG-CD1 3.92Å; L138-L160 HydrophobicContact CD2-CD1 4.17Å; L138-L160 HydrophobicContact CD2-CD2 4.41Å; L156-L160 HydrophobicContact CD1-CD1 3.78Å; L156-L160 HydrophobicContact CD1-CD2 4.5Å; L156-L160 HydrophobicContact CD1-CG 3.93Å; L156-L160 HydrophobicContact CD2-CD1 4.35Å; L156-L160 HydrophobicContact CG-CD1 3.68Å; L156-L160 HydrophobicContact CG-CG 4.28Å; L156-L160 WeakPolarHBondContact O-CB 3.37Å; L156-L160 VanDerWaalsContact O-CG 3.29Å; L156-L160 WeakPolarHBondContact O-CG 3.47Å; L156-L160 PolarHBondContact O-N 3.41Å; P157-L160 PolarHBondContact O-N 3.3Å; L160-G162 PolarHBondContact O-N 3.44Å; L160-F173 HydrophobicContact CD2-CE2 3.75Å; L160-F173 HydrophobicContact CD2-CZ 3.95Å; L160-R176 VanDerWaalsContact O-CZ 3.26Å; L160-R176 PolarHBondContact O-NH1 3.39Å; L160-A177 HydrophobicContact CD2-CB 4.11Å
161A71.1Confident67.3Low39 Ų3982.9 Ų82.932%0.32244%0.436SS..Hα-helixtrans-68.9-13.2177.800000113P157 E163P157-A161 VanDerWaalsContact O-CB 3.29Å; P157-A161 WeakPolarHBondContact O-CB 3.48Å; P157-A161 PolarHBondContact O-N 3.15Å; A161-E163 HydrophobicContact CB-CG 4.47Å
162G64.9Low67.2Low41 Ų4182.4 Ų82.442%0.42344%0.437SS..THydrogen-bonded Turntrans77.222.4177.400000114.3Q159 L160 G164Q159-G162 PolarHBondContact O-N 2.91Å; L160-G162 PolarHBondContact O-N 3.44Å; G162-G164 PolarHBondContact O-N 3.44Å
163E56.6Low67.4Low166 Ų16683 Ų8378%0.77644%0.439SS*.  trans-77.311.6176.2-66.2-171.5156.200113.2A161A161-E163 HydrophobicContact CB-CG 4.47Å
164G51.7Low67.9Low50 Ų5078.1 Ų78.152%0.51542%0.418SS..  trans-80.7127.2177.400000113.5G162 L166G162-G164 PolarHBondContact O-N 3.44Å; G164-L166 VanDerWaalsContact C-N 3.3Å; G164-L166 PolarHBondContact O-N 3.14Å
165Q45.6Very low68.3Low194 Ų19468.1 Ų68.191%0.90738%0.38SS*.THydrogen-bonded Turntrans-73.721.7-158.6-159.9152.5-10.600118.1
166L43.4Very low68.5Low164 Ų16466.8 Ų66.886%0.85937%0.372SS*.THydrogen-bonded Turntrans-138.54.1-176-74172.1000116.2G164 T168G164-L166 VanDerWaalsContact C-N 3.3Å; G164-L166 PolarHBondContact O-N 3.14Å; L166-T168 PolarHBondContact O-N 3.21Å
167V46.2Very low68.8Low81 Ų8166.8 Ų66.849%0.49137%0.372SS..  trans-90.798.6-174.1176.20000109.9Y169 L171V167-Y169 WeakPolarHBondContact CG1-O 3.36Å; V167-Y169 PolarHBondContact O-N 2.88Å; V167-L171 HydrophobicContact CG1-CD1 3.76Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 HydrophobicContact CG2-CD1 3.97Å
168T42.7Very low69.2Low124 Ų12465.9 Ų65.976%0.76137%0.366SS*.SBendtrans-72.6-9.5-179.3-490000112.2L166L166-T168 PolarHBondContact O-N 3.21Å
169Y53Low69.8Low186 Ų18667.3 Ų67.373%0.72937%0.367SS*.SBendtrans-143.6133.3177-67.6-82.3000111.2V167 L171V167-Y169 WeakPolarHBondContact CG1-O 3.36Å; V167-Y169 PolarHBondContact O-N 2.88Å; Y169-L171 PolarHBondContact O-N 2.88Å
170P64.1Low70.2Confident110 Ų11064.9 Ų64.971%0.71436%0.356SS*.  trans-61.5101.1179.626-33.2000110.9
171L72.3Confident70.8Confident44 Ų4464.9 Ų64.923%0.2336%0.356CS..  trans-60.8143.6174.1-83.3140.1000109.9V167 Y169 F175 R176V167-L171 HydrophobicContact CG1-CD1 3.76Å; V167-L171 HydrophobicContact CG1-CG 4.4Å; V167-L171 HydrophobicContact CG2-CD1 3.97Å; Y169-L171 PolarHBondContact O-N 2.88Å; L171-F175 HydrophobicContact CB-CB 4.4Å; L171-F175 HydrophobicContact CD2-CB 3.98Å; L171-F175 HydrophobicContact CD2-CD1 4.01Å; L171-F175 HydrophobicContact CD2-CG 4.11Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 3.05Å
172P81.3Confident71.8Confident16 Ų1663 Ų6310%0.10434%0.341CS..  trans-57155.8174.2-20.131.2000112E174 F175 R176 T260P172-E174 VanDerWaalsContact C-N 3.28Å; P172-E174 VanDerWaalsContact CB-CD 3.42Å; P172-E174 HydrophobicContact CB-CG 4.46Å; P172-E174 WeakPolarHBondContact CB-OE1 3.4Å; P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.76Å; P172-F175 HydrophobicContact CB-CD2 3.77Å; P172-F175 HydrophobicContact CB-CE2 4.19Å; P172-F175 HydrophobicContact CG-CD2 3.75Å; P172-F175 HydrophobicContact CG-CE2 3.86Å; P172-F175 PolarHBondContact O-N 2.85Å; P172-R176 PolarHBondContact O-N 2.79Å; P172-T260 HydrophobicContact CB-CG2 3.99Å
173F84.5Confident73Confident11 Ų1163.6 Ų63.65%0.04833%0.332CS..Hα-helixtrans-61.8-37.3-174175.5-93.4000112.4K82 I133 T134 P135 L138 L160 F175 R176 A177K82-F173 HydrophobicContact CB-CD2 4.09Å; K82-F173 HydrophobicContact CB-CE2 4.5Å; I133-F173 HydrophobicContact CG2-CE1 4.36Å; T134-F173 WeakPolarHBondContact O-CD1 3.47Å; P135-F173 WeakPolarHBondContact O-CB 2.77Å; L138-F173 HydrophobicContact CB-CE1 4.1Å; L138-F173 HydrophobicContact CB-CZ 3.83Å; L160-F173 HydrophobicContact CD2-CE2 3.75Å; L160-F173 HydrophobicContact CD2-CZ 3.95Å; F173-F175 VanDerWaalsContact C-N 3.33Å; F173-F175 PolarHBondContact O-N 2.99Å; F173-R176 PolarHBondContact O-N 2.88Å; F173-A177 HydrophobicContact CE1-CB 4.21Å; F173-A177 WeakPolarHBondContact O-CB 3.3Å; F173-A177 PolarHBondContact O-N 3.41Å
174E87.5Confident74.6Confident0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-62.2-36.7178.765.1-83.8-152.700112.9I122 I133 P172 A177 I178 L259 T260I122-E174 HydrophobicContact CD1-CB 4.23Å; I133-E174 HydrophobicContact CG2-CB 4.28Å; P172-E174 VanDerWaalsContact C-N 3.28Å; P172-E174 VanDerWaalsContact CB-CD 3.42Å; P172-E174 HydrophobicContact CB-CG 4.46Å; P172-E174 WeakPolarHBondContact CB-OE1 3.4Å; P172-E174 WeakPolarHBondContact CB-OE2 3.24Å; P172-E174 PolarHBondContact O-N 2.76Å; E174-A177 PolarHBondContact O-N 3.29Å; E174-I178 WeakPolarHBondContact O-CB 3.39Å; E174-I178 VanDerWaalsContact O-CG1 3.3Å; E174-I178 WeakPolarHBondContact O-CG1 3.24Å; E174-I178 PolarHBondContact O-N 3.15Å; E174-L259 HydrophobicContact CB-CD1 4.36Å; E174-L259 HydrophobicContact CB-CG 4.41Å; E174-L259 HydrophobicContact CG-CB 4.42Å; E174-L259 PolarHBondContact OE1-N 3.01Å; E174-T260 VanDerWaalsContact OE1-CB 3.28Å; E174-T260 WeakPolarHBondContact OE1-CB 3.38Å; E174-T260 WeakPolarHBondContact OE1-CG2 3.49Å; E174-T260 PolarHBondContact OE1-N 3.13Å; E174-T260 PolarHBondContact OE1-OG1 2.9Å
175F86.9Confident76.5Confident0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-65.9-49.5176.1-72.9-109.3000110.2L171 P172 F173 A177 I178 E179 H277 E280 M281 L284L171-F175 HydrophobicContact CB-CB 4.4Å; L171-F175 HydrophobicContact CD2-CB 3.98Å; L171-F175 HydrophobicContact CD2-CD1 4.01Å; L171-F175 HydrophobicContact CD2-CG 4.11Å; P172-F175 HydrophobicContact CB-CD2 3.77Å; P172-F175 HydrophobicContact CB-CE2 4.19Å; P172-F175 HydrophobicContact CG-CD2 3.75Å; P172-F175 HydrophobicContact CG-CE2 3.86Å; P172-F175 PolarHBondContact O-N 2.85Å; F173-F175 VanDerWaalsContact C-N 3.33Å; F173-F175 PolarHBondContact O-N 2.99Å; F175-A177 VanDerWaalsContact C-N 3.27Å; F175-A177 PolarHBondContact O-N 2.6Å; F175-I178 PolarHBondContact O-N 2.88Å; F175-E179 VanDerWaalsContact O-CB 3.24Å; F175-E179 WeakPolarHBondContact O-CB 3.17Å; F175-E179 PolarHBondContact O-N 3.19Å; F175-H277 HydrophobicContact CZ-CB 4.31Å; F175-H277 WeakPolarHBondContact CZ-O 3.2Å; F175-E280 HydrophobicContact CE1-CB 4.08Å; F175-M281 HydrophobicContact CD1-CE 3.63Å; F175-M281 HydrophobicContact CD1-SD 4.26Å; F175-M281 HydrophobicContact CD2-CE 3.9Å; F175-M281 HydrophobicContact CE1-CB 3.69Å; F175-M281 HydrophobicContact CE1-CE 3.6Å; F175-M281 HydrophobicContact CE1-CG 4.49Å; F175-M281 HydrophobicContact CE1-SD 4.24Å; F175-M281 HydrophobicContact CE2-CE 3.84Å; F175-M281 HydrophobicContact CG-CE 3.79Å; F175-M281 HydrophobicContact CZ-CB 4.04Å; F175-M281 HydrophobicContact CZ-CE 3.7Å; F175-L284 HydrophobicContact CD1-CD1 4.35Å
176R85.8Confident78.7Confident54 Ų5445.2 Ų45.220%0.20423%0.233CC..Hα-helixtrans-60.6-38.1177.3-67.3-173.3-74.1170.64.1112.1L160 L171 P172 F173 A180L160-R176 VanDerWaalsContact O-CZ 3.26Å; L160-R176 PolarHBondContact O-NH1 3.39Å; L171-R176 HydrophobicContact CB-CG 4.24Å; L171-R176 PolarHBondContact O-NE 3.05Å; P172-R176 PolarHBondContact O-N 2.79Å; F173-R176 PolarHBondContact O-N 2.88Å; R176-A180 VanDerWaalsContact O-CB 3.29Å; R176-A180 WeakPolarHBondContact O-CB 3.14Å; R176-A180 PolarHBondContact O-N 3.39Å
177A89.1Confident81Confident0 Ų040.8 Ų40.80%021%0.21CC..Hα-helixtrans-69.1-45.6177.700000112I133 L160 F173 E174 F175 L181I133-A177 HydrophobicContact CD1-CB 4.03Å; I133-A177 HydrophobicContact CG1-CB 4.47Å; I133-A177 HydrophobicContact CG2-CB 3.83Å; L160-A177 HydrophobicContact CD2-CB 4.11Å; F173-A177 HydrophobicContact CE1-CB 4.21Å; F173-A177 WeakPolarHBondContact O-CB 3.3Å; F173-A177 PolarHBondContact O-N 3.41Å; E174-A177 PolarHBondContact O-N 3.29Å; F175-A177 VanDerWaalsContact C-N 3.27Å; F175-A177 PolarHBondContact O-N 2.6Å; A177-L181 WeakPolarHBondContact O-CD1 3.33Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.45Å; A177-L181 VanDerWaalsContact O-N 3.13Å
178I90.6Very high83.1Confident4 Ų438.1 Ų38.12%0.02119%0.194CC..Hα-helixtrans-62.1-48.7175.5-71.4164.3000110.2I122 I124 I133 E174 F175 A180 L181 L182 L257 M281 L284 L285I122-I178 HydrophobicContact CD1-CD1 3.75Å; I122-I178 HydrophobicContact CD1-CG1 4.32Å; I124-I178 HydrophobicContact CD1-CG1 4.33Å; I133-I178 HydrophobicContact CD1-CG1 3.68Å; E174-I178 WeakPolarHBondContact O-CB 3.39Å; E174-I178 VanDerWaalsContact O-CG1 3.3Å; E174-I178 WeakPolarHBondContact O-CG1 3.24Å; E174-I178 PolarHBondContact O-N 3.15Å; F175-I178 PolarHBondContact O-N 2.88Å; I178-A180 VanDerWaalsContact C-N 3.35Å; I178-A180 PolarHBondContact O-N 3.42Å; I178-L181 PolarHBondContact O-N 3.36Å; I178-L181 VanDerWaalsContact O-N 3.14Å; I178-L182 HydrophobicContact CG2-CD1 3.5Å; I178-L182 VanDerWaalsContact CG2-CD1 3.5Å; I178-L182 HydrophobicContact CG2-CG 3.98Å; I178-L182 WeakPolarHBondContact O-CG 3.17Å; I178-L182 PolarHBondContact O-N 2.98Å; I178-L257 HydrophobicContact CD1-CD2 4.34Å; I178-M281 HydrophobicContact CD1-CE 3.59Å; I178-M281 HydrophobicContact CD1-SD 3.97Å; I178-L284 HydrophobicContact CG2-CD2 4.15Å; I178-L285 HydrophobicContact CG2-CD2 4.43Å
179E89.7Confident85.5Confident76 Ų7632.2 Ų32.236%0.35516%0.157SC..Hα-helixtrans-53.6-50.8178.3-168.7178.1-172.300111.2F175 L181 L182 Q183 L284 Y288F175-E179 VanDerWaalsContact O-CB 3.24Å; F175-E179 WeakPolarHBondContact O-CB 3.17Å; F175-E179 PolarHBondContact O-N 3.19Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å; E179-L182 PolarHBondContact O-N 2.83Å; E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 PolarHBondContact O-N 3.3Å; E179-L284 HydrophobicContact CB-CD1 4.16Å; E179-L284 HydrophobicContact CG-CD1 4.48Å; E179-Y288 HydrophobicContact CG-CE2 3.96Å; E179-Y288 WeakPolarHBondContact CG-OH 3.47Å; E179-Y288 PolarHBondContact O-OH 3.25Å
180A88.9Confident87.5Confident2 Ų228.1 Ų28.12%0.01715%0.145CC..Hα-helixtrans-59.7-41.9178.800000112.5W151 L156 Q159 R176 I178 Y184W151-A180 HydrophobicContact CZ2-CB 4.33Å; W151-A180 VanDerWaalsContact CZ2-O 3.31Å; W151-A180 WeakPolarHBondContact CZ2-O 3.24Å; L156-A180 HydrophobicContact CD1-CB 3.69Å; Q159-A180 HydrophobicContact CB-CB 4.32Å; Q159-A180 VanDerWaalsContact OE1-CB 3.27Å; R176-A180 VanDerWaalsContact O-CB 3.29Å; R176-A180 WeakPolarHBondContact O-CB 3.14Å; R176-A180 PolarHBondContact O-N 3.39Å; I178-A180 VanDerWaalsContact C-N 3.35Å; I178-A180 PolarHBondContact O-N 3.42Å; A180-Y184 WeakPolarHBondContact O-CB 3.44Å; A180-Y184 PolarHBondContact O-N 3.02Å
181L90.8Very high88.8Confident0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-69.7-42.8179.5-65167000111.9I124 M126 L129 A131 I133 L138 W151 A177 I178 E179 Y184 W185I124-L181 HydrophobicContact CD1-CD1 3.9Å; M126-L181 HydrophobicContact CE-CB 4.44Å; M126-L181 HydrophobicContact SD-CB 4.39Å; L129-L181 HydrophobicContact CD1-CD2 4.3Å; L129-L181 HydrophobicContact CD2-CD2 3.72Å; L129-L181 HydrophobicContact CG-CD2 4.39Å; A131-L181 HydrophobicContact CB-CD1 3.91Å; A131-L181 HydrophobicContact CB-CD2 4.2Å; I133-L181 HydrophobicContact CD1-CD1 3.87Å; I133-L181 HydrophobicContact CG1-CD1 4.36Å; L138-L181 HydrophobicContact CD1-CD1 4.02Å; W151-L181 HydrophobicContact CH2-CD2 4.1Å; A177-L181 WeakPolarHBondContact O-CD1 3.33Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.45Å; A177-L181 VanDerWaalsContact O-N 3.13Å; I178-L181 PolarHBondContact O-N 3.36Å; I178-L181 VanDerWaalsContact O-N 3.14Å; E179-L181 VanDerWaalsContact C-N 3.33Å; E179-L181 PolarHBondContact O-N 2.94Å; L181-Y184 PolarHBondContact O-N 3.39Å; L181-W185 PolarHBondContact O-N 2.81Å
182L91.9Very high89.8Confident0 Ų025.2 Ų25.20%013%0.127CC..Hα-helixtrans-64.9-43.7175.8-66.7174.8000111.1M126 I178 E179 Y184 W185 I186 F240 I244 L284 L285 Y288M126-L182 HydrophobicContact CE-CD2 3.53Å; M126-L182 HydrophobicContact CE-CG 4.34Å; I178-L182 HydrophobicContact CG2-CD1 3.5Å; I178-L182 VanDerWaalsContact CG2-CD1 3.5Å; I178-L182 HydrophobicContact CG2-CG 3.98Å; I178-L182 WeakPolarHBondContact O-CG 3.17Å; I178-L182 PolarHBondContact O-N 2.98Å; E179-L182 PolarHBondContact O-N 2.83Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.48Å; L182-W185 PolarHBondContact O-N 2.83Å; L182-W185 VanDerWaalsContact O-N 3.16Å; L182-I186 WeakPolarHBondContact O-CG1 3.21Å; L182-I186 PolarHBondContact O-N 3.28Å; L182-F240 HydrophobicContact CD2-CE2 3.66Å; L182-F240 HydrophobicContact CD2-CZ 3.74Å; L182-I244 HydrophobicContact CD2-CD1 3.84Å; L182-L284 HydrophobicContact CD1-CD2 3.92Å; L182-L285 HydrophobicContact CD1-CD2 3.73Å; L182-Y288 HydrophobicContact CB-CD1 3.88Å; L182-Y288 HydrophobicContact CB-CD2 3.91Å; L182-Y288 HydrophobicContact CB-CE1 4.07Å; L182-Y288 HydrophobicContact CB-CE2 4.11Å; L182-Y288 HydrophobicContact CB-CG 3.81Å; L182-Y288 HydrophobicContact CD1-CD2 3.61Å; L182-Y288 HydrophobicContact CD1-CE2 4.23Å; L182-Y288 HydrophobicContact CD1-CG 3.98Å; L182-Y288 HydrophobicContact CG-CD2 4.42Å; L182-Y288 HydrophobicContact CG-CG 4.49Å
183Q90.8Very high90.4Very high54 Ų5424.6 Ų24.625%0.25212%0.123SC..Hα-helixtrans-59.2-44.5175.9-171.864.245.600111.6E179 W185 N187 Y288E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 PolarHBondContact O-N 3.3Å; Q183-W185 VanDerWaalsContact C-N 3.31Å; Q183-W185 PolarHBondContact O-N 3.43Å; Q183-N187 PolarHBondContact NE2-OD1 2.94Å; Q183-N187 VanDerWaalsContact O-CB 3.3Å; Q183-N187 WeakPolarHBondContact O-CB 3.27Å; Q183-N187 PolarHBondContact O-N 2.56Å; Q183-N187 PolarHBondContact O-ND2 2.82Å; Q183-Y288 HydrophobicContact CB-CE1 4.2Å; Q183-Y288 PolarHBondContact OE1-OH 3.42Å
184Y89.8Confident90.8Very high13 Ų1327.3 Ų27.35%0.05114%0.143CC..Hα-helixtrans-59.3-43.9175.5173.3-104.3000112.2Y128 L129 L148 W151 A180 L181 L182 N187 T188Y128-Y184 AromaticContact CE2-CE1 3.93Å; Y128-Y184 HydrophobicContact CE2-CE1 3.93Å; Y128-Y184 WeakPolarHBondContact CE2-OH 3.45Å; Y128-Y184 PolarHBondContact OH-OH 3.36Å; L129-Y184 HydrophobicContact CD2-CD1 3.91Å; L129-Y184 HydrophobicContact CD2-CE1 4.27Å; L148-Y184 HydrophobicContact CD1-CE1 3.78Å; L148-Y184 HydrophobicContact CD1-CE2 4.31Å; W151-Y184 HydrophobicContact CB-CD2 3.95Å; W151-Y184 HydrophobicContact CB-CE2 3.8Å; W151-Y184 AromaticContact CD1-CD2 3.72Å; W151-Y184 AromaticContact CD2-CD2 3.28Å; W151-Y184 HydrophobicContact CD2-CD2 3.28Å; W151-Y184 AromaticContact CD2-CE2 3.87Å; W151-Y184 HydrophobicContact CD2-CE2 3.87Å; W151-Y184 AromaticContact CD2-CG 3.81Å; W151-Y184 HydrophobicContact CD2-CG 3.81Å; W151-Y184 AromaticContact CE2-CD2 3.66Å; W151-Y184 AromaticContact CE2-CG 3.87Å; W151-Y184 AromaticContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CD2 3.71Å; W151-Y184 HydrophobicContact CE3-CE2 4.05Å; W151-Y184 AromaticContact CE3-CG 3.97Å; W151-Y184 HydrophobicContact CE3-CG 3.97Å; W151-Y184 AromaticContact CG-CD2 3.37Å; W151-Y184 HydrophobicContact CG-CD2 3.37Å; W151-Y184 AromaticContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CE2 3.75Å; W151-Y184 HydrophobicContact CG-CG 4.33Å; W151-Y184 HydrophobicContact CH2-CG 4.2Å; W151-Y184 HydrophobicContact CZ2-CD2 4.35Å; W151-Y184 HydrophobicContact CZ2-CG 4.1Å; W151-Y184 HydrophobicContact CZ3-CD2 4.36Å; W151-Y184 HydrophobicContact CZ3-CG 4.15Å; W151-Y184 AromaticContact NE1-CD2 3.88Å; A180-Y184 WeakPolarHBondContact O-CB 3.44Å; A180-Y184 PolarHBondContact O-N 3.02Å; L181-Y184 PolarHBondContact O-N 3.39Å; L182-Y184 VanDerWaalsContact C-N 3.33Å; L182-Y184 PolarHBondContact O-N 3.48Å; Y184-N187 PolarHBondContact O-N 3.35Å; Y184-T188 WeakPolarHBondContact O-CB 3.42Å; Y184-T188 PolarHBondContact O-N 3.34Å; Y184-T188 PolarHBondContact O-OG1 2.86Å
185W91.2Very high91.1Very high3 Ų332.6 Ų32.61%0.01117%0.17CC..Hα-helixtrans-66.7-46.7-179.5-172.6-114.2000112.1M113 M126 E127 Y128 L181 L182 Q183 N187 T188 L189 F240M113-W185 HydrophobicContact CE-CD2 4.24Å; M113-W185 HydrophobicContact CE-CZ2 3.73Å; M126-W185 HydrophobicContact CB-CD2 4.13Å; M126-W185 HydrophobicContact CB-CE3 4.02Å; M126-W185 HydrophobicContact CB-CZ3 4.47Å; M126-W185 HydrophobicContact CG-CG 4.49Å; M126-W185 HydrophobicContact SD-CB 3.95Å; M126-W185 HydrophobicContact SD-CG 4.31Å; E127-W185 HydrophobicContact CB-CH2 3.5Å; E127-W185 HydrophobicContact CB-CZ2 4.46Å; E127-W185 HydrophobicContact CB-CZ3 3.89Å; E127-W185 HydrophobicContact CG-CH2 4.39Å; E127-W185 VanDerWaalsContact OE2-CH2 3.27Å; E127-W185 WeakPolarHBondContact OE2-CH2 3.14Å; Y128-W185 AromaticContact CE1-CZ3 3.97Å; Y128-W185 HydrophobicContact CE1-CZ3 3.97Å; L181-W185 PolarHBondContact O-N 2.81Å; L182-W185 PolarHBondContact O-N 2.83Å; L182-W185 VanDerWaalsContact O-N 3.16Å; Q183-W185 VanDerWaalsContact C-N 3.31Å; Q183-W185 PolarHBondContact O-N 3.43Å; W185-N187 PolarHBondContact O-N 2.63Å; W185-T188 WeakPolarHBondContact O-CB 3.49Å; W185-T188 PolarHBondContact O-N 3.07Å; W185-T188 VanDerWaalsContact O-N 3.13Å; W185-L189 HydrophobicContact CG-CD1 4.48Å; W185-L189 HydrophobicContact CZ2-CD2 3.96Å; W185-L189 HydrophobicContact CZ2-CG 4.36Å; W185-L189 WeakPolarHBondContact O-CG 3.26Å; W185-L189 PolarHBondContact O-N 3.14Å; W185-F240 AromaticContact CD1-CD2 3.3Å; W185-F240 AromaticContact CD1-CE2 3.55Å; W185-F240 AromaticContact CD1-CG 3.65Å; W185-F240 HydrophobicContact CG-CD2 4.44Å; W185-F240 HydrophobicContact CG-CE2 4.49Å; W185-F240 AromaticContact NE1-CD2 3.51Å; W185-F240 AromaticContact NE1-CG 3.59Å
186I93Very high91.3Very high8 Ų833.6 Ų33.64%0.04118%0.175CC..Hα-helixtrans-58.4-47.2174.4-69.5-60.7000111.2L182 T188 L189 Q190 F240 Y288 L291 A292L182-I186 WeakPolarHBondContact O-CG1 3.21Å; L182-I186 PolarHBondContact O-N 3.28Å; I186-T188 PolarHBondContact O-N 3.16Å; I186-L189 PolarHBondContact O-N 3.13Å; I186-Q190 VanDerWaalsContact O-CB 3.32Å; I186-Q190 WeakPolarHBondContact O-CB 3.3Å; I186-Q190 PolarHBondContact O-N 3.25Å; I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CE1 3.66Å; I186-F240 HydrophobicContact CD1-CZ 4.29Å; I186-F240 HydrophobicContact CG1-CE1 4.44Å; I186-Y288 HydrophobicContact CG1-CD1 4.01Å; I186-L291 HydrophobicContact CG2-CB 4.47Å; I186-A292 HydrophobicContact CD1-CB 3.93Å
187N91.8Very high91.7Very high71 Ų7135.1 Ų35.138%0.3819%0.185SC..Hα-helixtrans-61-35177.7-72.1-12.4000112Q183 Y184 W185 G191Q183-N187 PolarHBondContact NE2-OD1 2.94Å; Q183-N187 VanDerWaalsContact O-CB 3.3Å; Q183-N187 WeakPolarHBondContact O-CB 3.27Å; Q183-N187 PolarHBondContact O-N 2.56Å; Q183-N187 PolarHBondContact O-ND2 2.82Å; Y184-N187 PolarHBondContact O-N 3.35Å; W185-N187 PolarHBondContact O-N 2.63Å; N187-G191 PolarHBondContact O-N 3.43Å
188T90.4Very high91.8Very high24 Ų2438.3 Ų38.315%0.14721%0.205CC..Hα-helixtrans-65.4-49.4175-62.20000111Y128 Y184 W185 I186 G191 K192Y128-T188 WeakPolarHBondContact OH-CG2 3.49Å; Y184-T188 WeakPolarHBondContact O-CB 3.42Å; Y184-T188 PolarHBondContact O-N 3.34Å; Y184-T188 PolarHBondContact O-OG1 2.86Å; W185-T188 WeakPolarHBondContact O-CB 3.49Å; W185-T188 PolarHBondContact O-N 3.07Å; W185-T188 VanDerWaalsContact O-N 3.13Å; I186-T188 PolarHBondContact O-N 3.16Å; T188-G191 PolarHBondContact O-N 3.34Å; T188-K192 PolarHBondContact O-N 3.48Å
189L92.4Very high91.8Very high0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-63.8-43179.5-64.6172.5000111.1W185 I186 G191 K192 L193 L233 D236 I237 L295W185-L189 HydrophobicContact CG-CD1 4.48Å; W185-L189 HydrophobicContact CZ2-CD2 3.96Å; W185-L189 HydrophobicContact CZ2-CG 4.36Å; W185-L189 WeakPolarHBondContact O-CG 3.26Å; W185-L189 PolarHBondContact O-N 3.14Å; I186-L189 PolarHBondContact O-N 3.13Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 2.81Å; L189-K192 PolarHBondContact O-N 3.42Å; L189-L193 PolarHBondContact O-N 2.89Å; L189-L233 HydrophobicContact CB-CD1 4.27Å; L189-L233 HydrophobicContact CD2-CD1 3.72Å; L189-D236 HydrophobicContact CD2-CB 3.92Å; L189-I237 HydrophobicContact CB-CG1 4.45Å; L189-I237 HydrophobicContact CD1-CG1 4Å; L189-I237 HydrophobicContact CD2-CG1 4.27Å; L189-I237 HydrophobicContact CG-CG1 4.49Å; L189-L295 HydrophobicContact CB-CD2 3.35Å; L189-L295 HydrophobicContact CD1-CD2 4.43Å
190Q94.5Very high91.7Very high101 Ų10138 Ų3847%0.47221%0.206SC..Hα-helixtrans-62.9-40.5174.6-171.4177.215.600111.7I186 L193 S194 L295I186-Q190 VanDerWaalsContact O-CB 3.32Å; I186-Q190 WeakPolarHBondContact O-CB 3.3Å; I186-Q190 PolarHBondContact O-N 3.25Å; Q190-L193 PolarHBondContact O-N 3Å; Q190-S194 WeakPolarHBondContact O-CB 3.28Å; Q190-S194 PolarHBondContact O-N 3.05Å; Q190-S194 PolarHBondContact O-OG 2.94Å; Q190-L295 HydrophobicContact CB-CD1 4.19Å; Q190-L295 HydrophobicContact CG-CD1 4.35Å
191G92.6Very high91.8Very high27 Ų2741.1 Ų41.128%0.27822%0.222SC..Hα-helixtrans-57.8-48.7173.200000112N187 T188 L189 L193 S194 I195N187-G191 PolarHBondContact O-N 3.43Å; T188-G191 PolarHBondContact O-N 3.34Å; L189-G191 VanDerWaalsContact C-N 3.34Å; L189-G191 PolarHBondContact O-N 2.81Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 3.27Å; G191-S194 PolarHBondContact O-N 3.07Å; G191-S194 PolarHBondContact O-OG 2.82Å; G191-I195 WeakPolarHBondContact O-CG1 3.37Å; G191-I195 PolarHBondContact O-N 2.91Å
192K92Very high91.6Very high65 Ų6547.7 Ų47.728%0.28325%0.253SS..Hα-helixtrans-57.1-46.1174.7-70177-179.6176.70111.1E127 T188 L189 I195 L196 L233 D236E127-K192 IonicContact OE2-NZ 2.68Å; E127-K192 PolarHBondContact OE2-NZ 2.91Å; T188-K192 PolarHBondContact O-N 3.48Å; L189-K192 PolarHBondContact O-N 3.42Å; K192-I195 PolarHBondContact O-N 2.57Å; K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 2.96Å; K192-L233 HydrophobicContact CB-CD1 3.93Å; K192-L233 HydrophobicContact CB-CD2 4.18Å; K192-L233 HydrophobicContact CD-CD1 3.99Å; K192-D236 IonicContact NZ-OD2 2.97Å; K192-D236 PolarHBondContact NZ-OD2 3.47Å
193L94.1Very high91.2Very high4 Ų448.6 Ų48.62%0.02126%0.258CS..Hα-helixtrans-63.9-45.2179-17260.3000112.4L189 Q190 G191 I195 L196 Q197 L230 L233 L295 E298 A299 L302L189-L193 PolarHBondContact O-N 2.89Å; Q190-L193 PolarHBondContact O-N 3Å; G191-L193 VanDerWaalsContact C-N 3.35Å; G191-L193 PolarHBondContact O-N 3.27Å; L193-I195 PolarHBondContact O-N 2.68Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L193-Q197 WeakPolarHBondContact O-CB 3.32Å; L193-Q197 PolarHBondContact O-N 3.24Å; L193-L230 HydrophobicContact CD1-CD1 4.14Å; L193-L233 HydrophobicContact CB-CD2 3.85Å; L193-L233 HydrophobicContact CD1-CD2 4Å; L193-L295 HydrophobicContact CB-CD1 4.08Å; L193-L295 HydrophobicContact CD2-CD1 3.37Å; L193-L295 HydrophobicContact CD2-CG 4.28Å; L193-L295 HydrophobicContact CG-CD1 4.37Å; L193-E298 HydrophobicContact CD2-CB 3.66Å; L193-A299 HydrophobicContact CD1-CB 4.18Å; L193-L302 HydrophobicContact CD1-CD2 4.32Å
194S93.9Very high90.9Very high68 Ų6846.3 Ų46.348%0.47625%0.248SC..Hα-helixtrans-62.8-25.9-177.672.20000113.7Q190 G191 P198Q190-S194 WeakPolarHBondContact O-CB 3.28Å; Q190-S194 PolarHBondContact O-N 3.05Å; Q190-S194 PolarHBondContact O-OG 2.94Å; G191-S194 PolarHBondContact O-N 3.07Å; G191-S194 PolarHBondContact O-OG 2.82Å; S194-P198 WeakPolarHBondContact O-CD 3.33Å; S194-P198 WeakPolarHBondContact O-CG 3.49Å
195I92.4Very high90.6Very high110 Ų11051.5 Ų51.556%0.56428%0.277SS*.Hα-helixtrans-81.2-43.7174.2-64.7165.5000110.4G191 K192 L193 P198 L199G191-I195 WeakPolarHBondContact O-CG1 3.37Å; G191-I195 PolarHBondContact O-N 2.91Å; K192-I195 PolarHBondContact O-N 2.57Å; L193-I195 PolarHBondContact O-N 2.68Å; I195-P198 WeakPolarHBondContact O-CD 3.39Å; I195-P198 WeakPolarHBondContact O-CG 3.36Å; I195-L199 HydrophobicContact CG2-CD1 4.03Å; I195-L199 WeakPolarHBondContact O-CD1 3.34Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å
196L92Very high90.1Very high21 Ų2153.1 Ų53.111%0.1129%0.291CS..Hα-helixtrans-70.4-39.4-177-72.5174.3000112.8K192 L193 L199 I200 L233K192-L196 WeakPolarHBondContact O-CG 3.48Å; K192-L196 PolarHBondContact O-N 2.96Å; L193-L196 PolarHBondContact O-N 2.85Å; L193-L196 VanDerWaalsContact O-N 3.12Å; L196-L199 PolarHBondContact O-N 3.43Å; L196-I200 HydrophobicContact CB-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.27Å; L196-L233 HydrophobicContact CD1-CD2 4.27Å
197Q93.3Very high89.3Confident86 Ų8653.2 Ų53.240%0.40229%0.291SS..Hα-helixtrans-54-56-177.3-174.6-17919.400113.6L193 L199 I200 L201 L302L193-Q197 WeakPolarHBondContact O-CB 3.32Å; L193-Q197 PolarHBondContact O-N 3.24Å; Q197-L199 VanDerWaalsContact C-N 3.35Å; Q197-L199 PolarHBondContact O-N 2.84Å; Q197-I200 PolarHBondContact O-N 3.21Å; Q197-L201 HydrophobicContact CG-CD1 4.11Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.38Å; Q197-L201 PolarHBondContact O-N 3.46Å; Q197-L302 HydrophobicContact CB-CD2 4.19Å; Q197-L302 HydrophobicContact CG-CD2 4.47Å
198P92.4Very high88.5Confident67 Ų6752 Ų5244%0.43529%0.286SS..Hα-helixtrans-65.1-37.7179.625.7-34.6000112.4S194 I195 I200 L201 E202S194-P198 WeakPolarHBondContact O-CD 3.33Å; S194-P198 WeakPolarHBondContact O-CG 3.49Å; I195-P198 WeakPolarHBondContact O-CD 3.39Å; I195-P198 WeakPolarHBondContact O-CG 3.36Å; P198-I200 PolarHBondContact O-N 2.78Å; P198-L201 PolarHBondContact O-N 3.36Å; P198-E202 WeakPolarHBondContact O-CB 3.23Å; P198-E202 PolarHBondContact O-N 3.34Å
199L89.3Confident87.6Confident75 Ų7553.7 Ų53.739%0.39329%0.294SS..Hα-helixtrans-63.2-42.1179.2-70.1171.7000112.1I195 L196 Q197 T203I195-L199 HydrophobicContact CG2-CD1 4.03Å; I195-L199 WeakPolarHBondContact O-CD1 3.34Å; I195-L199 WeakPolarHBondContact O-CG 3.48Å; L196-L199 PolarHBondContact O-N 3.43Å; Q197-L199 VanDerWaalsContact C-N 3.35Å; Q197-L199 PolarHBondContact O-N 2.84Å; L199-T203 WeakPolarHBondContact O-CB 3.42Å; L199-T203 PolarHBondContact O-N 3.49Å; L199-T203 VanDerWaalsContact O-N 3.08Å; L199-T203 PolarHBondContact O-OG1 3.46Å
200I89.1Confident86.1Confident0 Ų058.7 Ų58.70%033%0.327CS..Hα-helixtrans-66.9-49.1177.3-72.9161.3000109.8L196 Q197 P198 E202 T203 L204 N226 L230 L302 I306L196-I200 HydrophobicContact CB-CD1 4.21Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.27Å; Q197-I200 PolarHBondContact O-N 3.21Å; P198-I200 PolarHBondContact O-N 2.78Å; I200-E202 PolarHBondContact O-N 3.44Å; I200-T203 PolarHBondContact O-N 2.93Å; I200-L204 HydrophobicContact CG2-CD1 3.77Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.02Å; I200-N226 HydrophobicContact CD1-CB 4.17Å; I200-N226 HydrophobicContact CG1-CB 3.68Å; I200-L230 HydrophobicContact CD1-CB 4.43Å; I200-L230 HydrophobicContact CD1-CD2 4.28Å; I200-L302 HydrophobicContact CB-CD1 4.08Å; I200-L302 HydrophobicContact CB-CD2 4.43Å; I200-L302 HydrophobicContact CB-CG 4.48Å; I200-L302 HydrophobicContact CD1-CD2 3.57Å; I200-L302 HydrophobicContact CD1-CG 4.04Å; I200-L302 HydrophobicContact CG2-CD1 3.63Å; I200-L302 HydrophobicContact CG2-CG 4.13Å; I200-I306 HydrophobicContact CD1-CD1 3.96Å; I200-I306 HydrophobicContact CG1-CD1 4.32Å; I200-I306 HydrophobicContact CG2-CD1 3.77Å; I200-I306 HydrophobicContact CG2-CG1 3.57Å
201L89.4Confident84.3Confident66 Ų6662.2 Ų62.235%0.34634%0.34SS..Hα-helixtrans-59.3-45.3-179.9-69.3174.7000112.2Q197 P198 T203 L204 D205 L302 L305Q197-L201 HydrophobicContact CG-CD1 4.11Å; Q197-L201 VanDerWaalsContact O-CG 3.29Å; Q197-L201 WeakPolarHBondContact O-CG 3.38Å; Q197-L201 PolarHBondContact O-N 3.46Å; P198-L201 PolarHBondContact O-N 3.36Å; L201-T203 PolarHBondContact O-N 3.25Å; L201-L204 PolarHBondContact O-N 2.84Å; L201-D205 WeakPolarHBondContact O-CB 3.42Å; L201-D205 PolarHBondContact O-N 3.02Å; L201-L302 HydrophobicContact CD2-CD1 4.44Å; L201-L302 HydrophobicContact CG-CD1 4.48Å; L201-L305 HydrophobicContact CD2-CD2 3.27Å
202E87.2Confident82.5Confident139 Ų13966.7 Ų66.765%0.6535%0.354SS*.Hα-helixtrans-62.8-42.4177-174.2-177.517100112P198 I200 A206P198-E202 WeakPolarHBondContact O-CB 3.23Å; P198-E202 PolarHBondContact O-N 3.34Å; I200-E202 PolarHBondContact O-N 3.44Å; E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.48Å
203T84.6Confident80.5Confident19 Ų1967.8 Ų67.812%0.11737%0.37CS..Hα-helixtrans-66.5-39.7178.4-55.60000111.4L199 I200 L201 A206 L207 K219 L223L199-T203 WeakPolarHBondContact O-CB 3.42Å; L199-T203 PolarHBondContact O-N 3.49Å; L199-T203 VanDerWaalsContact O-N 3.08Å; L199-T203 PolarHBondContact O-OG1 3.46Å; I200-T203 PolarHBondContact O-N 2.93Å; L201-T203 PolarHBondContact O-N 3.25Å; T203-A206 PolarHBondContact O-N 3Å; T203-L207 HydrophobicContact CG2-CD1 3.92Å; T203-L207 WeakPolarHBondContact O-CB 3.31Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 3.45Å; T203-L207 VanDerWaalsContact O-N 3.1Å; T203-K219 WeakPolarHBondContact CG2-O 3.11Å; T203-L223 HydrophobicContact CG2-CB 3.94Å; T203-L223 HydrophobicContact CG2-CD1 4.37Å
204L84.4Confident78.7Confident5 Ų571.1 Ų71.13%0.02639%0.394CS..Hα-helixtrans-65.9-48.5176.8-72.3-178.5000111.4I200 L201 A206 L207 V208 L223 L305 I306 S309I200-L204 HydrophobicContact CG2-CD1 3.77Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.42Å; I200-L204 VanDerWaalsContact O-CG 3.24Å; I200-L204 WeakPolarHBondContact O-CG 3.49Å; I200-L204 PolarHBondContact O-N 3.02Å; L201-L204 PolarHBondContact O-N 2.84Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 3.28Å; L204-V208 WeakPolarHBondContact O-CB 3.34Å; L204-V208 VanDerWaalsContact O-CG2 3.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.41Å; L204-V208 PolarHBondContact O-N 2.97Å; L204-L223 HydrophobicContact CD2-CD1 3.5Å; L204-L223 HydrophobicContact CD2-CD2 3.69Å; L204-L223 HydrophobicContact CD2-CG 4.26Å; L204-L223 HydrophobicContact CG-CD1 3.96Å; L204-L305 HydrophobicContact CD1-CD2 4.06Å; L204-L305 HydrophobicContact CD1-CG 3.87Å; L204-I306 HydrophobicContact CD1-CG1 4.2Å; L204-S309 VanDerWaalsContact CD2-CB 3.44Å
205D83.8Confident77.1Confident123 Ų12369.5 Ų69.566%0.65838%0.381SS*.Hα-helixtrans-56.8-41.7176.7-83.5-16.9000111.4L201 L207 D209L201-D205 WeakPolarHBondContact O-CB 3.42Å; L201-D205 PolarHBondContact O-N 3.02Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.12Å; D205-D209 PolarHBondContact O-N 3.13Å; D205-D209 VanDerWaalsContact O-N 3.13Å
206A80.4Confident75.8Confident37 Ų3767 Ų6731%0.30637%0.368SS..Hα-helixtrans-68.3-27.8177.700000114.2E202 T203 L204 K219E202-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.48Å; T203-A206 PolarHBondContact O-N 3Å; L204-A206 VanDerWaalsContact C-N 3.25Å; L204-A206 PolarHBondContact O-N 3.19Å; A206-K219 HydrophobicContact CB-CD 4.33Å
207L76.1Confident74.7Confident9 Ų976.8 Ų76.85%0.04740%0.404CS..Hα-helixtrans-90.7-27179.6-74.2171.9000113T203 L204 D205 V215 K219 L223 I313T203-L207 HydrophobicContact CG2-CD1 3.92Å; T203-L207 WeakPolarHBondContact O-CB 3.31Å; T203-L207 VanDerWaalsContact O-CG 3.28Å; T203-L207 WeakPolarHBondContact O-CG 3.5Å; T203-L207 PolarHBondContact O-N 3.45Å; T203-L207 VanDerWaalsContact O-N 3.1Å; L204-L207 PolarHBondContact O-N 3.28Å; D205-L207 VanDerWaalsContact C-N 3.33Å; D205-L207 PolarHBondContact O-N 3.12Å; L207-V215 HydrophobicContact CD2-CG1 4.22Å; L207-K219 HydrophobicContact CD1-CB 4.41Å; L207-K219 HydrophobicContact CD2-CB 3.78Å; L207-K219 HydrophobicContact CG-CB 4.16Å; L207-L223 HydrophobicContact CD1-CB 4.2Å; L207-L223 HydrophobicContact CD1-CD2 3.91Å; L207-I313 HydrophobicContact CB-CD1 3.71Å; L207-I313 HydrophobicContact CB-CG1 4.06Å; L207-I313 HydrophobicContact CD1-CD1 3.89Å; L207-I313 HydrophobicContact CG-CD1 4.38Å
208V74.3Confident73.8Confident45 Ų4576.4 Ų76.427%0.27341%0.411SS..Hα-helixtrans-85.5-26.6-179.8173.80000111.6L204 P210L204-V208 WeakPolarHBondContact O-CB 3.34Å; L204-V208 VanDerWaalsContact O-CG2 3.26Å; L204-V208 WeakPolarHBondContact O-CG2 3.41Å; L204-V208 PolarHBondContact O-N 2.97Å; V208-P210 WeakPolarHBondContact O-CD 2.99Å; V208-P210 VanDerWaalsContact O-N 3.08Å
209D71.2Confident73.1Confident60 Ų6076.7 Ų76.732%0.32141%0.405SS..  trans-60.8112.9-178.7-168.5-16.3000111.8D205 K211 H212D205-D209 PolarHBondContact O-N 3.13Å; D205-D209 VanDerWaalsContact O-N 3.13Å; D209-K211 PolarHBondContact O-N 2.83Å; D209-K211 WeakPolarHBondContact OD1-CB 3.45Å; D209-K211 PolarHBondContact OD1-N 2.99Å; D209-H212 PolarHBondContact O-N 3.18Å; D209-H212 IonicContact OD2-CD2 2.72Å
210P60.6Low72.7Confident105 Ų10575.3 Ų75.368%0.68240%0.398SS*.THydrogen-bonded Turntrans-65.8-12.5-177.527.8-36.3000113.6V208V208-P210 WeakPolarHBondContact O-CD 2.99Å; V208-P210 VanDerWaalsContact O-N 3.08Å
211K57.5Low72.3Confident176 Ų17681.1 Ų81.177%0.76543%0.425SS*.THydrogen-bonded Turntrans-79-24.2179.1-65.1179.3180179.10112.9D209 S213D209-K211 PolarHBondContact O-N 2.83Å; D209-K211 WeakPolarHBondContact OD1-CB 3.45Å; D209-K211 PolarHBondContact OD1-N 2.99Å; K211-S213 PolarHBondContact O-N 3.29Å
212H54.9Low72.2Confident120 Ų12080.8 Ų80.856%0.55643%0.426SS*.  trans-93.173.2178.4-67.5-72.5000109.7D209 S214D209-H212 PolarHBondContact O-N 3.18Å; D209-H212 IonicContact OD2-CD2 2.72Å; H212-S214 PolarHBondContact O-N 2.96Å
213S50.3Low72.2Confident88 Ų8874.4 Ų74.462%0.61540%0.396SS*.  trans-58.82.6-175.963.80000117.4K211 H320K211-S213 PolarHBondContact O-N 3.29Å; S213-H320 PolarHBondContact O-CE1 3.13Å
214S56.3Low72.2Confident75 Ų7578.1 Ų78.152%0.52441%0.414SS..  trans-112.197.3170.759.90000108.5H212 D216H212-S214 PolarHBondContact O-N 2.96Å; S214-D216 VanDerWaalsContact C-N 3.28Å; S214-D216 PolarHBondContact O-N 3.18Å
215V60.6Low72.5Confident34 Ų3483.1 Ų83.121%0.20644%0.437CS..  trans-59.199.2164178.50000107.2L207 R217 L317L207-V215 HydrophobicContact CD2-CG1 4.22Å; V215-R217 PolarHBondContact O-N 2.91Å; V215-R217 VanDerWaalsContact O-N 3.16Å; V215-L317 HydrophobicContact CB-CD2 3.68Å; V215-L317 HydrophobicContact CB-CG 4.49Å; V215-L317 HydrophobicContact CG1-CD1 4.38Å; V215-L317 HydrophobicContact CG1-CD2 3.83Å; V215-L317 HydrophobicContact CG1-CG 4.29Å; V215-L317 HydrophobicContact CG2-CD2 3.72Å; V215-L317 HydrophobicContact CG2-CG 4.21Å
216D64.5Low72.7Confident57 Ų5778.1 Ų78.131%0.30541%0.411SS..  trans-67114.2178.2-75-38.2000108S214 S218 K219 L220S214-D216 VanDerWaalsContact C-N 3.28Å; S214-D216 PolarHBondContact O-N 3.18Å; D216-S218 PolarHBondContact O-N 2.72Å; D216-K219 HydrophobicContact CB-CB 4.18Å; D216-K219 HydrophobicContact CB-CD 3.96Å; D216-K219 HydrophobicContact CB-CG 3.9Å; D216-K219 PolarHBondContact O-N 3.2Å; D216-K219 VanDerWaalsContact OD2-CE 3.31Å; D216-K219 WeakPolarHBondContact OD2-CE 3.4Å; D216-K219 IonicContact OD2-NZ 3.56Å; D216-K219 PolarHBondContact OD2-NZ 3.03Å; D216-L220 PolarHBondContact O-N 3.45Å
217R68.6Low73.2Confident226 Ų22677 Ų7785%0.85340%0.402SS*.Hα-helixtrans-52.8-29.1175.8-71.9-172.3175.790.3-0.3112.4V215 H221V215-R217 PolarHBondContact O-N 2.91Å; V215-R217 VanDerWaalsContact O-N 3.16Å; R217-H221 PolarHBondContact O-N 3Å; R217-H221 VanDerWaalsContact O-N 3.16Å
218S74.9Confident74Confident79 Ų7982.6 Ų82.655%0.55243%0.427SS*.Hα-helixtrans-67-42.7174.9510000112.9D216 H221 V222D216-S218 PolarHBondContact O-N 2.72Å; S218-H221 WeakPolarHBondContact O-CB 3.37Å; S218-H221 PolarHBondContact O-N 3.28Å; S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.49Å
219K78.4Confident74.9Confident73 Ų7382.4 Ų82.432%0.31743%0.427SS..Hα-helixtrans-68.1-37.9178.6-69178.5-177147.50112T203 A206 L207 D216 H221 V222 L223T203-K219 WeakPolarHBondContact CG2-O 3.11Å; A206-K219 HydrophobicContact CB-CD 4.33Å; L207-K219 HydrophobicContact CD1-CB 4.41Å; L207-K219 HydrophobicContact CD2-CB 3.78Å; L207-K219 HydrophobicContact CG-CB 4.16Å; D216-K219 HydrophobicContact CB-CB 4.18Å; D216-K219 HydrophobicContact CB-CD 3.96Å; D216-K219 HydrophobicContact CB-CG 3.9Å; D216-K219 PolarHBondContact O-N 3.2Å; D216-K219 VanDerWaalsContact OD2-CE 3.31Å; D216-K219 WeakPolarHBondContact OD2-CE 3.4Å; D216-K219 IonicContact OD2-NZ 3.56Å; D216-K219 PolarHBondContact OD2-NZ 3.03Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.26Å; K219-V222 PolarHBondContact O-N 2.68Å; K219-L223 PolarHBondContact O-N 3.26Å
220L79.6Confident76Confident46 Ų4679.6 Ų79.624%0.24141%0.412CS..Hα-helixtrans-62.3-40.5172.4-174.567.8000111.4D216 L223 L224 I313D216-L220 PolarHBondContact O-N 3.45Å; L220-L223 PolarHBondContact O-N 3.48Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.3Å; L220-I313 HydrophobicContact CD1-CG2 4.35Å
221H81.9Confident77.6Confident122 Ų12276 Ų7657%0.56539%0.39SS*.Hα-helixtrans-64.5-41.5176.5-172.262.6000112.3R217 S218 K219 L223 L224 Q225R217-H221 PolarHBondContact O-N 3Å; R217-H221 VanDerWaalsContact O-N 3.16Å; S218-H221 WeakPolarHBondContact O-CB 3.37Å; S218-H221 PolarHBondContact O-N 3.28Å; K219-H221 VanDerWaalsContact C-N 3.31Å; K219-H221 PolarHBondContact O-N 3.26Å; H221-L223 VanDerWaalsContact C-N 3.35Å; H221-L224 PolarHBondContact O-N 3.41Å; H221-Q225 WeakPolarHBondContact O-CB 3.45Å; H221-Q225 PolarHBondContact O-N 3.12Å
222V86.1Confident79.3Confident59 Ų5972 Ų7236%0.35837%0.373SS..Hα-helixtrans-61.5-42.3173.6172.60000111.1S218 K219 L224 Q225 N226S218-V222 WeakPolarHBondContact O-CG2 3.42Å; S218-V222 PolarHBondContact O-N 3.49Å; K219-V222 PolarHBondContact O-N 2.68Å; V222-L224 PolarHBondContact O-N 3.09Å; V222-Q225 PolarHBondContact O-N 2.92Å; V222-N226 WeakPolarHBondContact O-CB 3.5Å; V222-N226 VanDerWaalsContact O-CG 3.25Å; V222-N226 PolarHBondContact O-N 3.4Å
223L86.8Confident81.2Confident4 Ų466.4 Ų66.42%0.02135%0.348CS..Hα-helixtrans-60.4-44.7175.6-17666.4000111.9T203 L204 L207 K219 L220 H221 Q225 N226 G227 I306 I313T203-L223 HydrophobicContact CG2-CB 3.94Å; T203-L223 HydrophobicContact CG2-CD1 4.37Å; L204-L223 HydrophobicContact CD2-CD1 3.5Å; L204-L223 HydrophobicContact CD2-CD2 3.69Å; L204-L223 HydrophobicContact CD2-CG 4.26Å; L204-L223 HydrophobicContact CG-CD1 3.96Å; L207-L223 HydrophobicContact CD1-CB 4.2Å; L207-L223 HydrophobicContact CD1-CD2 3.91Å; K219-L223 PolarHBondContact O-N 3.26Å; L220-L223 PolarHBondContact O-N 3.48Å; H221-L223 VanDerWaalsContact C-N 3.35Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 3.44Å; L223-N226 PolarHBondContact O-N 3.25Å; L223-G227 PolarHBondContact O-N 3.02Å; L223-I306 HydrophobicContact CD1-CG1 4.41Å; L223-I313 HydrophobicContact CD2-CD1 4.04Å
224L85.5Confident83.3Confident97 Ų9764.1 Ų64.151%0.50833%0.327SS..Hα-helixtrans-64.2-39.1177-69.7173.6000112.1L220 H221 V222 G227 K228L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 3.3Å; H221-L224 PolarHBondContact O-N 3.41Å; V222-L224 PolarHBondContact O-N 3.09Å; L224-G227 PolarHBondContact O-N 3.46Å; L224-K228 PolarHBondContact O-N 3.04Å
225Q89.6Confident85.1Confident110 Ų11064.1 Ų64.151%0.51432%0.324SS..Hα-helixtrans-65.1-47.2176-176.5173.8-6.200111.3H221 V222 L223 G227 K228 S229H221-Q225 WeakPolarHBondContact O-CB 3.45Å; H221-Q225 PolarHBondContact O-N 3.12Å; V222-Q225 PolarHBondContact O-N 2.92Å; L223-Q225 VanDerWaalsContact C-N 3.34Å; L223-Q225 PolarHBondContact O-N 3.44Å; Q225-G227 VanDerWaalsContact C-N 3.31Å; Q225-G227 PolarHBondContact O-N 3.32Å; Q225-K228 WeakPolarHBondContact O-CB 3.42Å; Q225-K228 PolarHBondContact O-N 3.25Å; Q225-S229 PolarHBondContact O-N 3.43Å; Q225-S229 PolarHBondContact O-OG 3.13Å
226N89.3Confident86.6Confident19 Ų1964 Ų6410%0.10232%0.322CS..Hα-helixtrans-63.4-37.9176.4-68.2-14.4000111.5I200 V222 L223 K228 S229 L230I200-N226 HydrophobicContact CD1-CB 4.17Å; I200-N226 HydrophobicContact CG1-CB 3.68Å; V222-N226 WeakPolarHBondContact O-CB 3.5Å; V222-N226 VanDerWaalsContact O-CG 3.25Å; V222-N226 PolarHBondContact O-N 3.4Å; L223-N226 PolarHBondContact O-N 3.25Å; N226-K228 VanDerWaalsContact C-N 3.35Å; N226-S229 PolarHBondContact O-N 3.23Å; N226-L230 WeakPolarHBondContact O-CB 3.38Å; N226-L230 PolarHBondContact O-N 3.28Å
227G90.5Very high88.1Confident12 Ų1261.2 Ų61.212%0.12431%0.308CS..Hα-helixtrans-64.7-34.8173.700000113.4L223 L224 Q225 S231L223-G227 PolarHBondContact O-N 3.02Å; L224-G227 PolarHBondContact O-N 3.46Å; Q225-G227 VanDerWaalsContact C-N 3.31Å; Q225-G227 PolarHBondContact O-N 3.32Å; G227-S231 PolarHBondContact O-N 3.06Å; G227-S231 PolarHBondContact O-OG 3.24Å
228K91.8Very high89.4Confident128 Ų12856 Ų5656%0.55729%0.291SS*.Hα-helixtrans-65.1-48.2171-171.7-175.5-178.3-94.90111L224 Q225 N226 L230 S231 E232L224-K228 PolarHBondContact O-N 3.04Å; Q225-K228 WeakPolarHBondContact O-CB 3.42Å; Q225-K228 PolarHBondContact O-N 3.25Å; N226-K228 VanDerWaalsContact C-N 3.35Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.33Å; K228-S231 WeakPolarHBondContact O-CB 3.33Å; K228-S231 PolarHBondContact O-N 3.3Å; K228-S231 VanDerWaalsContact O-N 3.09Å; K228-E232 IonicContact NZ-OE1 3.63Å; K228-E232 PolarHBondContact NZ-OE1 2.92Å; K228-E232 WeakPolarHBondContact O-CG 3.36Å; K228-E232 PolarHBondContact O-N 2.7Å
229S93.4Very high90.3Very high41 Ų4154.9 Ų54.929%0.28728%0.278SS..Hα-helixtrans-63.2-35.8177.9-65.50000112.8Q225 N226 E232 L233Q225-S229 PolarHBondContact O-N 3.43Å; Q225-S229 PolarHBondContact O-OG 3.13Å; N226-S229 PolarHBondContact O-N 3.23Å; S229-E232 PolarHBondContact O-N 2.98Å; S229-L233 PolarHBondContact O-N 3.32Å
230L94.8Very high91Very high0 Ų051.4 Ų51.40%026%0.263CS..Hα-helixtrans-64.1-41.4171.3-177.662.9000111.5L193 I200 N226 K228 E232 L233 E234 A299 L302 R303 I306L193-L230 HydrophobicContact CD1-CD1 4.14Å; I200-L230 HydrophobicContact CD1-CB 4.43Å; I200-L230 HydrophobicContact CD1-CD2 4.28Å; N226-L230 WeakPolarHBondContact O-CB 3.38Å; N226-L230 PolarHBondContact O-N 3.28Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.33Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.46Å; L230-L233 PolarHBondContact O-N 2.86Å; L230-E234 WeakPolarHBondContact O-CG 3.34Å; L230-E234 PolarHBondContact O-N 2.83Å; L230-A299 HydrophobicContact CD1-CB 4.09Å; L230-L302 HydrophobicContact CD1-CD2 4.16Å; L230-L302 HydrophobicContact CD2-CB 4.14Å; L230-L302 HydrophobicContact CD2-CD2 4.13Å; L230-L302 HydrophobicContact CD2-CG 3.97Å; L230-R303 HydrophobicContact CD2-CB 4.03Å; L230-I306 HydrophobicContact CD2-CD1 3.74Å
231S94.3Very high91.7Very high31 Ų3150.5 Ų50.522%0.21726%0.257CS..Hα-helixtrans-64.1-37.7176.7-53.40000112.7G227 K228 T235 R303G227-S231 PolarHBondContact O-N 3.06Å; G227-S231 PolarHBondContact O-OG 3.24Å; K228-S231 WeakPolarHBondContact O-CB 3.33Å; K228-S231 PolarHBondContact O-N 3.3Å; K228-S231 VanDerWaalsContact O-N 3.09Å; S231-T235 PolarHBondContact O-N 3.08Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 2.94Å; S231-R303 PolarHBondContact OG-NH1 2.88Å
232E93.8Very high92.3Very high90 Ų9048.8 Ų48.842%0.42125%0.25SC..Hα-helixtrans-63-47.5173.7-71.5169.5-179.100110K228 S229 L230 E234 T235 D236K228-E232 IonicContact NZ-OE1 3.63Å; K228-E232 PolarHBondContact NZ-OE1 2.92Å; K228-E232 WeakPolarHBondContact O-CG 3.36Å; K228-E232 PolarHBondContact O-N 2.7Å; S229-E232 PolarHBondContact O-N 2.98Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 3.46Å; E232-E234 PolarHBondContact O-N 2.77Å; E232-T235 WeakPolarHBondContact O-CB 3.46Å; E232-T235 PolarHBondContact O-N 2.95Å; E232-T235 VanDerWaalsContact O-N 3.13Å; E232-D236 PolarHBondContact O-N 3.08Å
233L93.9Very high92.6Very high3 Ų346.7 Ų46.72%0.01624%0.237CC..Hα-helixtrans-61-43.6176178.763000113L189 K192 L193 L196 S229 L230 T235 D236 I237L189-L233 HydrophobicContact CB-CD1 4.27Å; L189-L233 HydrophobicContact CD2-CD1 3.72Å; K192-L233 HydrophobicContact CB-CD1 3.93Å; K192-L233 HydrophobicContact CB-CD2 4.18Å; K192-L233 HydrophobicContact CD-CD1 3.99Å; L193-L233 HydrophobicContact CB-CD2 3.85Å; L193-L233 HydrophobicContact CD1-CD2 4Å; L196-L233 HydrophobicContact CD1-CD2 4.27Å; S229-L233 PolarHBondContact O-N 3.32Å; L230-L233 PolarHBondContact O-N 2.86Å; L233-T235 PolarHBondContact O-N 3.12Å; L233-D236 PolarHBondContact O-N 3Å; L233-I237 HydrophobicContact CD1-CD1 4.09Å; L233-I237 HydrophobicContact CD1-CG1 4.25Å; L233-I237 HydrophobicContact CG-CD1 3.89Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.22Å
234E94.6Very high93Very high41 Ų4146.5 Ų46.519%0.19224%0.236CC..Hα-helixtrans-57.8-40.4174.4-75.6177.3144.800111.2L230 E232 K238 A299 R303L230-E234 WeakPolarHBondContact O-CG 3.34Å; L230-E234 PolarHBondContact O-N 2.83Å; E232-E234 PolarHBondContact O-N 2.77Å; E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-A299 HydrophobicContact CG-CB 4.02Å; E234-R303 VanDerWaalsContact OE1-CB 3.27Å; E234-R303 WeakPolarHBondContact OE1-CB 3.5Å; E234-R303 IonicContact OE2-NH1 3.77Å; E234-R303 PolarHBondContact OE2-NH1 3.18Å
235T94.4Very high93.4Very high74 Ų7444.5 Ų44.545%0.45423%0.226SC..Hα-helixtrans-68-43.1177.7-54.40000111S231 E232 L233 K238 I239S231-T235 PolarHBondContact O-N 3.08Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 2.94Å; E232-T235 WeakPolarHBondContact O-CB 3.46Å; E232-T235 PolarHBondContact O-N 2.95Å; E232-T235 VanDerWaalsContact O-N 3.13Å; L233-T235 PolarHBondContact O-N 3.12Å; T235-K238 PolarHBondContact O-N 3.32Å; T235-I239 HydrophobicContact CG2-CD1 3.84Å; T235-I239 HydrophobicContact CG2-CG1 4.4Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.43Å; T235-I239 PolarHBondContact O-N 2.87Å
236D93.1Very high93.5Very high31 Ų3145.2 Ų45.217%0.16623%0.229CC..Hα-helixtrans-60.8-46176.9-69.5-14.9000111.7L189 K192 E232 L233 K238 I239 F240L189-D236 HydrophobicContact CD2-CB 3.92Å; K192-D236 IonicContact NZ-OD2 2.97Å; K192-D236 PolarHBondContact NZ-OD2 3.47Å; E232-D236 PolarHBondContact O-N 3.08Å; L233-D236 PolarHBondContact O-N 3Å; D236-K238 VanDerWaalsContact C-N 3.35Å; D236-I239 PolarHBondContact O-N 3.24Å; D236-F240 WeakPolarHBondContact O-CB 3.37Å; D236-F240 PolarHBondContact O-N 2.99Å
237I94.9Very high93.6Very high0 Ų044.6 Ų44.60%023%0.226CC..Hα-helixtrans-62.8-44.2176.9-64.7162.5000110.1L189 L233 F240 K241 A292 L295 A299L189-I237 HydrophobicContact CB-CG1 4.45Å; L189-I237 HydrophobicContact CD1-CG1 4Å; L189-I237 HydrophobicContact CD2-CG1 4.27Å; L189-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 HydrophobicContact CD1-CD1 4.09Å; L233-I237 HydrophobicContact CD1-CG1 4.25Å; L233-I237 HydrophobicContact CG-CD1 3.89Å; L233-I237 HydrophobicContact CG-CG1 4.49Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.22Å; I237-F240 PolarHBondContact O-N 3.26Å; I237-K241 HydrophobicContact CG2-CD 3.96Å; I237-K241 HydrophobicContact CG2-CG 4.4Å; I237-K241 WeakPolarHBondContact O-CG 3.46Å; I237-K241 PolarHBondContact O-N 3.02Å; I237-A292 WeakPolarHBondContact CG2-O 3.38Å; I237-L295 HydrophobicContact CD1-CD2 3.85Å; I237-L295 HydrophobicContact CD1-CG 3.8Å; I237-L295 HydrophobicContact CG1-CD2 4.07Å; I237-L295 HydrophobicContact CG1-CG 4.48Å; I237-A299 HydrophobicContact CD1-CB 4.35Å
238K95.1Very high93.7Very high117 Ų11745.4 Ų45.451%0.50923%0.227SC..Hα-helixtrans-60.8-49.1179.1179.7179.9170.6-178.20111.7E234 T235 D236 F240 K241 E242E234-K238 VanDerWaalsContact O-CB 3.25Å; E234-K238 WeakPolarHBondContact O-CB 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; T235-K238 PolarHBondContact O-N 3.32Å; D236-K238 VanDerWaalsContact C-N 3.35Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.84Å; K238-K241 PolarHBondContact O-N 2.85Å; K238-E242 WeakPolarHBondContact CE-OE1 3.44Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 3.65Å; K238-E242 WeakPolarHBondContact O-CG 3.47Å; K238-E242 PolarHBondContact O-N 3.37Å
239I94.3Very high93.6Very high54 Ų5445.6 Ų45.628%0.27723%0.234SC..Hα-helixtrans-60.4-42.6178.8-69.5167.8000110.1M113 T235 D236 E242 S243M113-I239 HydrophobicContact CB-CG2 3.52Å; M113-I239 HydrophobicContact CG-CG2 4.38Å; T235-I239 HydrophobicContact CG2-CD1 3.84Å; T235-I239 HydrophobicContact CG2-CG1 4.4Å; T235-I239 VanDerWaalsContact O-CG1 3.28Å; T235-I239 WeakPolarHBondContact O-CG1 3.43Å; T235-I239 PolarHBondContact O-N 2.87Å; D236-I239 PolarHBondContact O-N 3.24Å; I239-E242 PolarHBondContact O-N 3.23Å; I239-S243 PolarHBondContact O-N 3.31Å; I239-S243 PolarHBondContact O-OG 3.46Å; I239-S243 VanDerWaalsContact O-OG 3.09Å
240F94.1Very high93.5Very high0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-59.9-47.9176175.5-106.8000112.1M113 M126 L182 W185 I186 D236 I237 K238 E242 S243 I244 A292M113-F240 HydrophobicContact CE-CB 4.3Å; M113-F240 HydrophobicContact CE-CD2 3.97Å; M113-F240 HydrophobicContact SD-CD2 4.15Å; M126-F240 HydrophobicContact CE-CE2 4.48Å; L182-F240 HydrophobicContact CD2-CE2 3.66Å; L182-F240 HydrophobicContact CD2-CZ 3.74Å; W185-F240 AromaticContact CD1-CD2 3.3Å; W185-F240 AromaticContact CD1-CE2 3.55Å; W185-F240 AromaticContact CD1-CG 3.65Å; W185-F240 HydrophobicContact CG-CD2 4.44Å; W185-F240 HydrophobicContact CG-CE2 4.49Å; W185-F240 AromaticContact NE1-CD2 3.51Å; W185-F240 AromaticContact NE1-CG 3.59Å; I186-F240 HydrophobicContact CD1-CD1 4.29Å; I186-F240 HydrophobicContact CD1-CE1 3.66Å; I186-F240 HydrophobicContact CD1-CZ 4.29Å; I186-F240 HydrophobicContact CG1-CE1 4.44Å; D236-F240 WeakPolarHBondContact O-CB 3.37Å; D236-F240 PolarHBondContact O-N 2.99Å; I237-F240 PolarHBondContact O-N 3.26Å; K238-F240 VanDerWaalsContact C-N 3.29Å; K238-F240 PolarHBondContact O-N 2.84Å; F240-E242 PolarHBondContact O-N 3.4Å; F240-S243 PolarHBondContact O-N 3.43Å; F240-I244 HydrophobicContact CD2-CG1 4.33Å; F240-I244 HydrophobicContact CE1-CG1 4.1Å; F240-I244 HydrophobicContact CE2-CD1 3.98Å; F240-I244 HydrophobicContact CE2-CG1 3.88Å; F240-I244 HydrophobicContact CZ-CD1 4.05Å; F240-I244 HydrophobicContact CZ-CG1 3.77Å; F240-I244 WeakPolarHBondContact O-CG1 3.44Å; F240-I244 PolarHBondContact O-N 3.42Å; F240-A292 HydrophobicContact CD1-CB 3.7Å; F240-A292 HydrophobicContact CE1-CB 3.74Å
241K94.6Very high93.1Very high27 Ų2756.4 Ų56.412%0.11728%0.28CS..Hα-helixtrans-60.3-45.3177.3-72.9171.765.1-172.90112.4I237 K238 S243 I244 L245 Y289 A292 E293I237-K241 HydrophobicContact CG2-CD 3.96Å; I237-K241 HydrophobicContact CG2-CG 4.4Å; I237-K241 WeakPolarHBondContact O-CG 3.46Å; I237-K241 PolarHBondContact O-N 3.02Å; K238-K241 PolarHBondContact O-N 2.85Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.47Å; K241-I244 PolarHBondContact O-N 2.95Å; K241-L245 WeakPolarHBondContact O-CG 3.28Å; K241-L245 PolarHBondContact O-N 3.49Å; K241-Y289 HydrophobicContact CB-CD2 4.38Å; K241-Y289 HydrophobicContact CB-CE2 4.11Å; K241-Y289 HydrophobicContact CG-CD2 4.44Å; K241-Y289 HydrophobicContact CG-CE2 4.34Å; K241-A292 HydrophobicContact CD-CB 4.25Å; K241-A292 HydrophobicContact CG-CB 3.64Å; K241-E293 WeakPolarHBondContact CE-OE2 3.25Å; K241-E293 IonicContact NZ-OE1 2.95Å; K241-E293 PolarHBondContact NZ-OE1 3.49Å; K241-E293 IonicContact NZ-OE2 2.59Å; K241-E293 PolarHBondContact NZ-OE2 3.21Å
242E94.2Very high92.8Very high87 Ų8762 Ų6241%0.40730%0.303SS..Hα-helixtrans-60-44177.1-73.5175.7168.400110.6K238 I239 F240 I244 L245 E246K238-E242 WeakPolarHBondContact CE-OE1 3.44Å; K238-E242 HydrophobicContact CG-CG 4.49Å; K238-E242 IonicContact NZ-OE1 3.65Å; K238-E242 WeakPolarHBondContact O-CG 3.47Å; K238-E242 PolarHBondContact O-N 3.37Å; I239-E242 PolarHBondContact O-N 3.23Å; F240-E242 PolarHBondContact O-N 3.4Å; E242-I244 PolarHBondContact O-N 3.3Å; E242-L245 PolarHBondContact O-N 2.93Å; E242-E246 WeakPolarHBondContact O-CG 3.35Å; E242-E246 PolarHBondContact O-N 2.94Å
243S92.6Very high92.4Very high14 Ų1459.6 Ų59.610%0.09829%0.292CS..Hα-helixtrans-64.6-34.3176.2-62.30000114M113 I239 F240 K241 L247M113-S243 VanDerWaalsContact CG-OG 3.31Å; M113-S243 WeakPolarHBondContact CG-OG 3.15Å; I239-S243 PolarHBondContact O-N 3.31Å; I239-S243 PolarHBondContact O-OG 3.46Å; I239-S243 VanDerWaalsContact O-OG 3.09Å; F240-S243 PolarHBondContact O-N 3.43Å; K241-S243 VanDerWaalsContact C-N 3.33Å; K241-S243 PolarHBondContact O-N 3.47Å; S243-L247 WeakPolarHBondContact O-CG 3.39Å; S243-L247 PolarHBondContact O-N 3.26Å
244I93.5Very high92.1Very high0 Ų059.8 Ų59.80%029%0.293CS..Hα-helixtrans-74.1-39.1175.7-62.2-65.9000110.9I115 L182 F240 K241 E242 L247 L248 L285I115-I244 HydrophobicContact CD1-CD1 3.96Å; L182-I244 HydrophobicContact CD2-CD1 3.84Å; F240-I244 HydrophobicContact CD2-CG1 4.33Å; F240-I244 HydrophobicContact CE1-CG1 4.1Å; F240-I244 HydrophobicContact CE2-CD1 3.98Å; F240-I244 HydrophobicContact CE2-CG1 3.88Å; F240-I244 HydrophobicContact CZ-CD1 4.05Å; F240-I244 HydrophobicContact CZ-CG1 3.77Å; F240-I244 WeakPolarHBondContact O-CG1 3.44Å; F240-I244 PolarHBondContact O-N 3.42Å; K241-I244 PolarHBondContact O-N 2.95Å; E242-I244 PolarHBondContact O-N 3.3Å; I244-L247 HydrophobicContact CD1-CD1 4.43Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.02Å; I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.27Å; I244-L285 HydrophobicContact CD1-CD2 4.22Å; I244-L285 HydrophobicContact CG2-CB 4.27Å
245L94.3Very high91.6Very high56 Ų5661.2 Ų61.229%0.29330%0.3SS..Hα-helixtrans-62.4-43.1174.8-75.6172.5000112K241 E242 L247 L248 D249 Y289K241-L245 WeakPolarHBondContact O-CG 3.28Å; K241-L245 PolarHBondContact O-N 3.49Å; E242-L245 PolarHBondContact O-N 2.93Å; L245-L247 PolarHBondContact O-N 3.24Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-L248 VanDerWaalsContact O-N 3.07Å; L245-D249 WeakPolarHBondContact O-CB 3.4Å; L245-D249 VanDerWaalsContact O-CG 3.23Å; L245-D249 PolarHBondContact O-N 3.49Å; L245-Y289 HydrophobicContact CD1-CE2 3.6Å; L245-Y289 HydrophobicContact CD2-CD2 4.01Å; L245-Y289 HydrophobicContact CD2-CE1 4.4Å; L245-Y289 HydrophobicContact CD2-CE2 3.55Å; L245-Y289 HydrophobicContact CG-CD2 3.9Å; L245-Y289 HydrophobicContact CG-CE2 3.39Å
246E92.6Very high91.3Very high125 Ų12561 Ų6158%0.58429%0.294SS*.Hα-helixtrans-56.5-34175.1-75.4173.3-17700112.3E242E242-E246 WeakPolarHBondContact O-CG 3.35Å; E242-E246 PolarHBondContact O-N 2.94Å
247L91.4Very high90.9Very high6 Ų659.6 Ų59.63%0.03129%0.286CS..Hα-helixtrans-75.7-39.5174.6-63.9172.3000113I115 S243 I244 L245 D249 M253 L257 L285I115-L247 HydrophobicContact CB-CD1 3.81Å; I115-L247 HydrophobicContact CB-CD2 4.32Å; I115-L247 HydrophobicContact CD1-CD1 3.74Å; I115-L247 HydrophobicContact CG1-CD1 4.37Å; I115-L247 HydrophobicContact CG2-CD1 3.73Å; I115-L247 HydrophobicContact CG2-CD2 4.15Å; S243-L247 WeakPolarHBondContact O-CG 3.39Å; S243-L247 PolarHBondContact O-N 3.26Å; I244-L247 HydrophobicContact CD1-CD1 4.43Å; I244-L247 WeakPolarHBondContact O-CB 3.36Å; I244-L247 PolarHBondContact O-N 3.02Å; L245-L247 PolarHBondContact O-N 3.24Å; L247-D249 VanDerWaalsContact C-N 3.33Å; L247-M253 HydrophobicContact CD2-CE 4.04Å; L247-L257 HydrophobicContact CD1-CD1 4.48Å; L247-L285 HydrophobicContact CB-CD1 4.28Å; L247-L285 HydrophobicContact CD1-CD1 4.36Å
248L91.6Very high90.3Very high29 Ų2959.7 Ų59.715%0.15229%0.287CS..Hα-helixtrans-70.1-30.8179.6-72.6171.2000111.9I244 L245 E282 L285 E286I244-L248 HydrophobicContact CG2-CD1 3.93Å; I244-L248 HydrophobicContact CG2-CG 4.34Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.27Å; L245-L248 PolarHBondContact O-N 3.01Å; L245-L248 VanDerWaalsContact O-N 3.07Å; L248-E282 HydrophobicContact CD2-CB 4.47Å; L248-E282 HydrophobicContact CD2-CG 3.62Å; L248-L285 HydrophobicContact CD2-CB 3.74Å; L248-L285 HydrophobicContact CD2-CD1 4.38Å; L248-L285 HydrophobicContact CG-CB 4.23Å; L248-E286 HydrophobicContact CD1-CG 4.13Å; L248-E286 HydrophobicContact CD2-CG 4.01Å
249D91.3Very high89.6Confident131 Ų13154.1 Ų54.170%0.70126%0.263SS*.Hα-helixtrans-74.8-23.3-179.4-73-23.7000112.9L245 L247L245-D249 WeakPolarHBondContact O-CB 3.4Å; L245-D249 VanDerWaalsContact O-CG 3.23Å; L245-D249 PolarHBondContact O-N 3.49Å; L247-D249 VanDerWaalsContact C-N 3.33Å
250E90.9Very high88.4Confident111 Ų11153.8 Ų53.852%0.51926%0.263SS..  trans-109.996-176.4-67.1-173.9-171.400111.9E252 M253 L254E250-E252 PolarHBondContact O-N 3.32Å; E250-E252 VanDerWaalsContact O-N 3.13Å; E250-M253 HydrophobicContact CB-CB 3.99Å; E250-M253 HydrophobicContact CB-CG 3.72Å; E250-M253 WeakPolarHBondContact O-CB 3.47Å; E250-M253 PolarHBondContact O-N 2.91Å; E250-M253 WeakPolarHBondContact OE2-CG 3.44Å; E250-L254 PolarHBondContact O-N 3.42Å
251E86.1Confident87Confident157 Ų15756.4 Ų56.473%0.73428%0.275SS*.Hα-helixtrans-52.8-36.4178.1-68.4177.7-175.400113.1M253 L254 E255E251-M253 PolarHBondContact O-N 3.31Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.49Å; E251-E255 PolarHBondContact O-N 3.07Å
252E87.1Confident85.1Confident149 Ų14962.3 Ų62.370%0.69630%0.296SS*.Hα-helixtrans-62.2-41.2177.3-174174.5-168.700111.8E250 L254 E255 E256E250-E252 PolarHBondContact O-N 3.32Å; E250-E252 VanDerWaalsContact O-N 3.13Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-E255 PolarHBondContact O-N 3.19Å; E252-E256 WeakPolarHBondContact O-CG 3.41Å; E252-E256 PolarHBondContact O-N 2.98Å
253M85.8Confident83.3Confident40 Ų4061.1 Ų61.120%0.19730%0.298CS..Hα-helixtrans-66.7-38.5177.4-68.3-69.8-66.400111.2L247 E250 E251 E256 L257L247-M253 HydrophobicContact CD2-CE 4.04Å; E250-M253 HydrophobicContact CB-CB 3.99Å; E250-M253 HydrophobicContact CB-CG 3.72Å; E250-M253 WeakPolarHBondContact O-CB 3.47Å; E250-M253 PolarHBondContact O-N 2.91Å; E250-M253 WeakPolarHBondContact OE2-CG 3.44Å; E251-M253 PolarHBondContact O-N 3.31Å; M253-E256 PolarHBondContact O-N 3.26Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.45Å
254L87Confident81.5Confident7 Ų764.2 Ų64.24%0.03731%0.313CS..Hα-helixtrans-64-42.6177.3-170.968.6000111.9E250 E251 E252 E256 L257 A278 M281 E282 L285E250-L254 PolarHBondContact O-N 3.42Å; E251-L254 WeakPolarHBondContact O-CB 3.41Å; E251-L254 PolarHBondContact O-N 3.49Å; E252-L254 VanDerWaalsContact C-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3Å; L254-L257 HydrophobicContact CD1-CD1 4.45Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 2.93Å; L254-A278 HydrophobicContact CD2-CB 4.25Å; L254-A278 WeakPolarHBondContact CD2-O 3.37Å; L254-A278 HydrophobicContact CG-CB 4.42Å; L254-M281 HydrophobicContact CD1-CB 3.78Å; L254-M281 HydrophobicContact CD1-CG 3.49Å; L254-M281 VanDerWaalsContact CD1-CG 3.49Å; L254-M281 HydrophobicContact CG-CB 4.44Å; L254-M281 HydrophobicContact CG-CG 4.5Å; L254-E282 HydrophobicContact CD2-CB 3.8Å; L254-E282 HydrophobicContact CD2-CG 4.18Å; L254-L285 HydrophobicContact CD1-CD1 3.95Å
255E85.5Confident79.5Confident70 Ų7069.1 Ų69.133%0.32735%0.345SS..Hα-helixtrans-64.4-36.6173.3-73.1-163.3-160.700112.8E251 E252 L257 C258 K261 W262 A278E251-E255 PolarHBondContact O-N 3.07Å; E252-E255 PolarHBondContact O-N 3.19Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.31Å; E255-C258 PolarHBondContact O-N 2.96Å; E255-K261 IonicContact OE1-NZ 2.91Å; E255-K261 IonicContact OE2-NZ 3.34Å; E255-K261 PolarHBondContact OE2-NZ 3.43Å; E255-W262 PolarHBondContact O-NE1 3.41Å; E255-A278 HydrophobicContact CG-CB 4.42Å
256E86.8Confident77.3Confident70 Ų7074 Ų7433%0.32737%0.366SS..Hα-helixtrans-69.9-23.7176.5-74.4-169.3171.700113.3T117 E252 M253 L254 C258 L259T117-E256 VanDerWaalsContact CB-OE2 3.28Å; T117-E256 WeakPolarHBondContact CB-OE2 3.49Å; T117-E256 HydrophobicContact CG2-CB 3.87Å; T117-E256 WeakPolarHBondContact CG2-O 3.48Å; T117-E256 WeakPolarHBondContact OG1-CB 3.29Å; T117-E256 PolarHBondContact OG1-OE2 3.13Å; E252-E256 WeakPolarHBondContact O-CG 3.41Å; E252-E256 PolarHBondContact O-N 2.98Å; M253-E256 PolarHBondContact O-N 3.26Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3Å; E256-C258 VanDerWaalsContact C-N 3.26Å; E256-L259 WeakPolarHBondContact O-CD2 3.32Å
257L85.4Confident75.3Confident2 Ų270.4 Ų70.41%0.0135%0.353CS..Hα-helixtrans-70.1-24.8172.8-70.1169.5000111.9I115 T117 I122 I178 L247 M253 L254 E255 L259 M281 L285I115-L257 HydrophobicContact CG2-CD2 4.04Å; T117-L257 HydrophobicContact CG2-CD2 3.59Å; T117-L257 HydrophobicContact CG2-CG 3.96Å; I122-L257 HydrophobicContact CD1-CD2 4.16Å; I122-L257 HydrophobicContact CG1-CD2 4Å; I122-L257 HydrophobicContact CG2-CD2 3.81Å; I178-L257 HydrophobicContact CD1-CD2 4.34Å; L247-L257 HydrophobicContact CD1-CD1 4.48Å; M253-L257 WeakPolarHBondContact O-CG 3.41Å; M253-L257 PolarHBondContact O-N 3.45Å; L254-L257 HydrophobicContact CD1-CD1 4.45Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 2.93Å; E255-L257 VanDerWaalsContact C-N 3.3Å; E255-L257 PolarHBondContact O-N 3.31Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.17Å; L257-M281 HydrophobicContact CB-CE 4.31Å; L257-M281 HydrophobicContact CB-CG 4.36Å; L257-M281 HydrophobicContact CD1-CG 4.29Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å
258C83.4Confident73.2Confident2 Ų276.4 Ų76.41%0.01438%0.379CS..  trans-81.771.6179.8-63.20000111.7E255 E256 T260 K261E255-C258 PolarHBondContact O-N 2.96Å; E256-C258 VanDerWaalsContact C-N 3.26Å; C258-T260 VanDerWaalsContact C-N 3.25Å; C258-T260 PolarHBondContact O-N 3.07Å; C258-K261 HydrophobicContact CB-CB 4.33Å; C258-K261 WeakPolarHBondContact O-CB 3.28Å; C258-K261 PolarHBondContact O-N 2.91Å
259L78.9Confident71.1Confident0 Ų083 Ų830%041%0.409CS..THydrogen-bonded Turntrans-61.3-28-172.4-54.5-176.6000114.5N120 I122 P135 E174 E256 L257 K261 W262 S263N120-L259 VanDerWaalsContact C-CD2 3.47Å; N120-L259 WeakPolarHBondContact OD1-CD2 3.43Å; N120-L259 PolarHBondContact OD1-O 2.95Å; I122-L259 HydrophobicContact CD1-CD1 3.87Å; I122-L259 HydrophobicContact CD1-CD2 4.42Å; I122-L259 HydrophobicContact CD1-CG 3.95Å; I122-L259 HydrophobicContact CG1-CD1 3.99Å; I122-L259 HydrophobicContact CG1-CD2 4.05Å; I122-L259 HydrophobicContact CG1-CG 4.1Å; P135-L259 HydrophobicContact CG-CB 3.91Å; P135-L259 HydrophobicContact CG-CD1 4.39Å; E174-L259 HydrophobicContact CB-CD1 4.36Å; E174-L259 HydrophobicContact CB-CG 4.41Å; E174-L259 HydrophobicContact CG-CB 4.42Å; E174-L259 PolarHBondContact OE1-N 3.01Å; E256-L259 WeakPolarHBondContact O-CD2 3.32Å; L257-L259 VanDerWaalsContact C-N 3.32Å; L257-L259 PolarHBondContact O-N 3.17Å; L259-K261 VanDerWaalsContact C-N 3.32Å; L259-W262 PolarHBondContact O-N 3.09Å; L259-S263 PolarHBondContact O-N 2.8Å; L259-S263 PolarHBondContact O-OG 2.92Å
260T70.4Confident68.9Low47 Ų4785.4 Ų85.429%0.28841%0.413SS..THydrogen-bonded Turntrans-68.7-28.1176.143.50000113.2P172 E174 C258 W262 S263 D264P172-T260 HydrophobicContact CB-CG2 3.99Å; E174-T260 VanDerWaalsContact OE1-CB 3.28Å; E174-T260 WeakPolarHBondContact OE1-CB 3.38Å; E174-T260 WeakPolarHBondContact OE1-CG2 3.49Å; E174-T260 PolarHBondContact OE1-N 3.13Å; E174-T260 PolarHBondContact OE1-OG1 2.9Å; C258-T260 VanDerWaalsContact C-N 3.25Å; C258-T260 PolarHBondContact O-N 3.07Å; T260-W262 PolarHBondContact O-N 2.92Å; T260-S263 PolarHBondContact O-N 2.97Å; T260-S263 VanDerWaalsContact O-N 3.14Å; T260-D264 PolarHBondContact O-N 3.06Å
261K63.9Low66.7Low54 Ų5486.7 Ų86.724%0.23541%0.413CS..THydrogen-bonded Turntrans-56.3-34.8174.6-171179.9-178.11780111.7E255 C258 L259 F268E255-K261 IonicContact OE1-NZ 2.91Å; E255-K261 IonicContact OE2-NZ 3.34Å; E255-K261 PolarHBondContact OE2-NZ 3.43Å; C258-K261 HydrophobicContact CB-CB 4.33Å; C258-K261 WeakPolarHBondContact O-CB 3.28Å; C258-K261 PolarHBondContact O-N 2.91Å; L259-K261 VanDerWaalsContact C-N 3.32Å; K261-F268 HydrophobicContact CG-CD2 4.46Å; K261-F268 HydrophobicContact CG-CE2 4.46Å
262W54.6Low64.7Low151 Ų15183.2 Ų83.257%0.57241%0.406SS*.THydrogen-bonded Turntrans-93.3-11.1-176.8-57.199.8000114E255 L259 T260E255-W262 PolarHBondContact O-NE1 3.41Å; L259-W262 PolarHBondContact O-N 3.09Å; T260-W262 PolarHBondContact O-N 2.92Å
263S56.4Low62.7Low62 Ų6282.5 Ų82.543%0.43441%0.412SS..THydrogen-bonded Turntrans-97.1-26-173-56.90000113.5N120 L259 T260N120-S263 PolarHBondContact ND2-OG 3.48Å; L259-S263 PolarHBondContact O-N 2.8Å; L259-S263 PolarHBondContact O-OG 2.92Å; T260-S263 PolarHBondContact O-N 2.97Å; T260-S263 VanDerWaalsContact O-N 3.14Å
264D54.4Low61Low79 Ų7983.9 Ų83.942%0.42244%0.436SS..  trans-142.7100.8178.7-156-13.5000113.3T260 Q266 V267T260-D264 PolarHBondContact O-N 3.06Å; D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.15Å; D264-Q266 PolarHBondContact OD1-N 3.42Å; D264-V267 HydrophobicContact CB-CB 4.43Å; D264-V267 HydrophobicContact CB-CG2 3.96Å; D264-V267 PolarHBondContact O-N 3.34Å
265P52.4Low59.5Low103 Ų10388.2 Ų88.267%0.66946%0.459SS*.THydrogen-bonded Turntrans-64.2-15179.2-2031000114.6F268P265-F268 VanDerWaalsContact O-CB 3.24Å; P265-F268 WeakPolarHBondContact O-CB 3.29Å
266Q48.4Very low58.9Low159 Ų15988.4 Ų88.474%0.74346%0.462SS*.THydrogen-bonded Turntrans-90.3-16.8180-65.8-155.921.300113.8D264 F268D264-Q266 PolarHBondContact O-N 2.91Å; D264-Q266 VanDerWaalsContact O-N 3.15Å; D264-Q266 PolarHBondContact OD1-N 3.42Å; Q266-F268 VanDerWaalsContact C-N 3.3Å
267V50.4Low58.5Low50 Ų5087.3 Ų87.330%0.30346%0.457SS..THydrogen-bonded Turntrans-77.4-24.4170.1-179.40000110.6D264 E269 K270 R271D264-V267 HydrophobicContact CB-CB 4.43Å; D264-V267 HydrophobicContact CB-CG2 3.96Å; D264-V267 PolarHBondContact O-N 3.34Å; V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.07Å; V267-K270 PolarHBondContact O-N 3.15Å; V267-R271 HydrophobicContact CG1-CG 4.28Å; V267-R271 PolarHBondContact O-N 3.42Å
268F46Very low58.3Low131 Ų13187.7 Ų87.758%0.57546%0.46SS*.THydrogen-bonded Turntrans-57.1-36.5176.7-168.2-99000114K261 P265 Q266 S272K261-F268 HydrophobicContact CG-CD2 4.46Å; K261-F268 HydrophobicContact CG-CE2 4.46Å; P265-F268 VanDerWaalsContact O-CB 3.24Å; P265-F268 WeakPolarHBondContact O-CB 3.29Å; Q266-F268 VanDerWaalsContact C-N 3.3Å; F268-S272 PolarHBondContact O-OG 3.48Å
269E48.2Very low58.3Low167 Ų16791.1 Ų91.178%0.7848%0.478SS*.THydrogen-bonded Turntrans-94.2-18.7-175.1-121179.6-177.600113.5V267 S272V267-E269 VanDerWaalsContact C-N 3.32Å; V267-E269 PolarHBondContact O-N 3.07Å; E269-S272 PolarHBondContact O-OG 3.43Å
270K44.6Very low58.6Low183 Ų18394 Ų9480%0.79649%0.491SS*.THydrogen-bonded Turntrans-102-11.6-170.9-134.3169.6-171.5170.30114.1V267V267-K270 PolarHBondContact O-N 3.15Å
271R45.9Very low59.4Low138 Ų13891.7 Ų91.752%0.52148%0.478SS..SBendtrans-115.2-3.7177.8-70.4-174.8180163.8-2114.4V267 T273V267-R271 HydrophobicContact CG1-CG 4.28Å; V267-R271 PolarHBondContact O-N 3.42Å; R271-T273 PolarHBondContact O-N 3.01Å
272S44.1Very low60.7Low84 Ų8492.4 Ų92.459%0.58748%0.482SS*.  trans-71.528.2178.217.80000114.1F268 E269F268-S272 PolarHBondContact O-OG 3.48Å; E269-S272 PolarHBondContact O-OG 3.43Å
273T44.3Very low62.4Low134 Ų13490.2 Ų90.282%0.82248%0.481SS*.SBendtrans-10527.5-179.959.90000113.9R271R271-T273 PolarHBondContact O-N 3.01Å
274G49.3Very low64Low68 Ų6888.3 Ų88.370%0.70147%0.465SS*.SBendtrans179.8-34.1167.500000120.7
275I56.4Low65.9Low99 Ų9984.6 Ų84.651%0.50845%0.446SS..  trans-146.9133.8-174.4-48.3177.8000108.4D279 E280I275-D279 HydrophobicContact CG2-CB 4.21Å; I275-E280 HydrophobicContact CB-CG 4.47Å; I275-E280 HydrophobicContact CG2-CG 3.66Å
276D73.6Confident67.9Low74 Ų7483.6 Ų83.640%0.39643%0.432SS..  trans-70.3137.2172.1-161.1-21.5000109.1A278 D279 E280D276-A278 PolarHBondContact O-N 3.46Å; D276-A278 PolarHBondContact OD1-N 3.14Å; D276-D279 HydrophobicContact CB-CB 4.31Å; D276-D279 WeakPolarHBondContact CB-OD2 3.31Å; D276-D279 PolarHBondContact N-OD2 2.86Å; D276-D279 WeakPolarHBondContact O-CB 3.49Å; D276-D279 PolarHBondContact O-N 2.95Å; D276-E280 PolarHBondContact O-N 3.2Å; D276-E280 VanDerWaalsContact O-N 3.13Å
277H76.5Confident70Confident47 Ų4780.2 Ų80.222%0.21842%0.419CS..Hα-helixtrans-62.4-26174.4-70.3-51.4000111.3F175 E280 M281F175-H277 HydrophobicContact CZ-CB 4.31Å; F175-H277 WeakPolarHBondContact CZ-O 3.2Å; H277-E280 IonicContact ND1-OE2 2.78Å; H277-M281 PolarHBondContact O-N 3.49Å; H277-M281 VanDerWaalsContact O-N 3.12Å
278A81.6Confident72.1Confident9 Ų978.1 Ų78.17%0.07441%0.406CS..Hα-helixtrans-61.8-49.6169.600000111.3L254 E255 D276 E280 M281 E282L254-A278 HydrophobicContact CD2-CB 4.25Å; L254-A278 WeakPolarHBondContact CD2-O 3.37Å; L254-A278 HydrophobicContact CG-CB 4.42Å; E255-A278 HydrophobicContact CG-CB 4.42Å; D276-A278 PolarHBondContact O-N 3.46Å; D276-A278 PolarHBondContact OD1-N 3.14Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 2.78Å; A278-M281 WeakPolarHBondContact O-CA 3.42Å; A278-M281 WeakPolarHBondContact O-CB 3.42Å; A278-M281 PolarHBondContact O-N 2.85Å; A278-E282 PolarHBondContact O-N 3.32Å
279D84.9Confident74.5Confident75 Ų7574.1 Ų74.140%0.40139%0.387SS..Hα-helixtrans-58.5-40.7177.8-55.8-21.9000111.8I275 D276 M281 E282 L283I275-D279 HydrophobicContact CG2-CB 4.21Å; D276-D279 HydrophobicContact CB-CB 4.31Å; D276-D279 WeakPolarHBondContact CB-OD2 3.31Å; D276-D279 PolarHBondContact N-OD2 2.86Å; D276-D279 WeakPolarHBondContact O-CB 3.49Å; D276-D279 PolarHBondContact O-N 2.95Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.22Å; D279-E282 WeakPolarHBondContact O-CB 3.39Å; D279-E282 PolarHBondContact O-N 3.38Å; D279-L283 VanDerWaalsContact O-CG 3.3Å; D279-L283 WeakPolarHBondContact O-CG 3.44Å; D279-L283 PolarHBondContact O-N 2.98Å
280E84.4Confident76.8Confident59 Ų5974 Ų7428%0.27638%0.38SS..Hα-helixtrans-63.9-37.1175.9-68.1-176.7169.100112.1F175 I275 D276 H277 A278 L284F175-E280 HydrophobicContact CE1-CB 4.08Å; I275-E280 HydrophobicContact CB-CG 4.47Å; I275-E280 HydrophobicContact CG2-CG 3.66Å; D276-E280 PolarHBondContact O-N 3.2Å; D276-E280 VanDerWaalsContact O-N 3.13Å; H277-E280 IonicContact ND1-OE2 2.78Å; A278-E280 VanDerWaalsContact C-N 3.3Å; A278-E280 PolarHBondContact O-N 2.78Å; E280-L284 WeakPolarHBondContact O-CB 3.28Å; E280-L284 PolarHBondContact O-N 3.1Å; E280-L284 VanDerWaalsContact O-N 3.13Å
281M86.7Confident79.2Confident0 Ų068.3 Ų68.30%036%0.357CS..Hα-helixtrans-70.2-39.9176.6-176.162.673.800110.5F175 I178 L254 L257 H277 A278 D279 L284 L285F175-M281 HydrophobicContact CD1-CE 3.63Å; F175-M281 HydrophobicContact CD1-SD 4.26Å; F175-M281 HydrophobicContact CD2-CE 3.9Å; F175-M281 HydrophobicContact CE1-CB 3.69Å; F175-M281 HydrophobicContact CE1-CE 3.6Å; F175-M281 HydrophobicContact CE1-CG 4.49Å; F175-M281 HydrophobicContact CE1-SD 4.24Å; F175-M281 HydrophobicContact CE2-CE 3.84Å; F175-M281 HydrophobicContact CG-CE 3.79Å; F175-M281 HydrophobicContact CZ-CB 4.04Å; F175-M281 HydrophobicContact CZ-CE 3.7Å; I178-M281 HydrophobicContact CD1-CE 3.59Å; I178-M281 HydrophobicContact CD1-SD 3.97Å; L254-M281 HydrophobicContact CD1-CB 3.78Å; L254-M281 HydrophobicContact CD1-CG 3.49Å; L254-M281 VanDerWaalsContact CD1-CG 3.49Å; L254-M281 HydrophobicContact CG-CB 4.44Å; L254-M281 HydrophobicContact CG-CG 4.5Å; L257-M281 HydrophobicContact CB-CE 4.31Å; L257-M281 HydrophobicContact CB-CG 4.36Å; L257-M281 HydrophobicContact CD1-CG 4.29Å; H277-M281 PolarHBondContact O-N 3.49Å; H277-M281 VanDerWaalsContact O-N 3.12Å; A278-M281 WeakPolarHBondContact O-CA 3.42Å; A278-M281 WeakPolarHBondContact O-CB 3.42Å; A278-M281 PolarHBondContact O-N 2.85Å; D279-M281 VanDerWaalsContact C-N 3.31Å; D279-M281 PolarHBondContact O-N 3.22Å; M281-L284 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact CG-CD1 4.23Å; M281-L285 HydrophobicContact CG-CG 4.44Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact SD-CG 4.39Å
282E90.6Very high81.6Confident69 Ų6961.7 Ų61.732%0.32233%0.333SS..Hα-helixtrans-57.4-53.4175.2-159.8-178.6163.800110.1L248 L254 A278 D279 L284 L285 E286L248-E282 HydrophobicContact CD2-CB 4.47Å; L248-E282 HydrophobicContact CD2-CG 3.62Å; L254-E282 HydrophobicContact CD2-CB 3.8Å; L254-E282 HydrophobicContact CD2-CG 4.18Å; A278-E282 PolarHBondContact O-N 3.32Å; D279-E282 WeakPolarHBondContact O-CB 3.39Å; D279-E282 PolarHBondContact O-N 3.38Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.02Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.08Å; E282-E286 HydrophobicContact CG-CG 4.42Å; E282-E286 WeakPolarHBondContact O-CB 3.39Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.2Å
283L91.1Very high84.1Confident105 Ų10560 Ų6055%0.5532%0.315SS..Hα-helixtrans-57.7-38.7179.2-72.1169.4000112.5D279 N287D279-L283 VanDerWaalsContact O-CG 3.3Å; D279-L283 WeakPolarHBondContact O-CG 3.44Å; D279-L283 PolarHBondContact O-N 2.98Å; L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 2.91Å
284L90.7Very high86.5Confident21 Ų2158 Ų5811%0.1130%0.3CS..Hα-helixtrans-63.8-50175.3-177.1155.3000110.9F175 I178 E179 L182 E280 M281 E282 N287 Y288F175-L284 HydrophobicContact CD1-CD1 4.35Å; I178-L284 HydrophobicContact CG2-CD2 4.15Å; E179-L284 HydrophobicContact CB-CD1 4.16Å; E179-L284 HydrophobicContact CG-CD1 4.48Å; L182-L284 HydrophobicContact CD1-CD2 3.92Å; E280-L284 WeakPolarHBondContact O-CB 3.28Å; E280-L284 PolarHBondContact O-N 3.1Å; E280-L284 VanDerWaalsContact O-N 3.13Å; M281-L284 PolarHBondContact O-N 3.44Å; E282-L284 VanDerWaalsContact C-N 3.27Å; E282-L284 PolarHBondContact O-N 3.02Å; L284-N287 WeakPolarHBondContact O-CB 3.3Å; L284-N287 PolarHBondContact O-N 3.01Å; L284-Y288 HydrophobicContact CD2-CD2 3.84Å; L284-Y288 HydrophobicContact CD2-CE2 3.94Å; L284-Y288 HydrophobicContact CG-CD2 4.36Å; L284-Y288 HydrophobicContact CG-CE2 4.21Å; L284-Y288 VanDerWaalsContact O-CD2 3.23Å; L284-Y288 WeakPolarHBondContact O-CD2 3.34Å; L284-Y288 PolarHBondContact O-N 3.48Å
285L93Very high88.7Confident2 Ų255.2 Ų55.21%0.0127%0.269CS..Hα-helixtrans-65.2-40.7179.9-69.1179.9000111.8I178 L182 I244 L247 L248 L254 L257 M281 E282 N287 Y288 Y289I178-L285 HydrophobicContact CG2-CD2 4.43Å; L182-L285 HydrophobicContact CD1-CD2 3.73Å; I244-L285 HydrophobicContact CD1-CD2 4.22Å; I244-L285 HydrophobicContact CG2-CB 4.27Å; L247-L285 HydrophobicContact CB-CD1 4.28Å; L247-L285 HydrophobicContact CD1-CD1 4.36Å; L248-L285 HydrophobicContact CD2-CB 3.74Å; L248-L285 HydrophobicContact CD2-CD1 4.38Å; L248-L285 HydrophobicContact CG-CB 4.23Å; L254-L285 HydrophobicContact CD1-CD1 3.95Å; L257-L285 HydrophobicContact CD1-CD1 4.06Å; M281-L285 HydrophobicContact CG-CD1 4.23Å; M281-L285 HydrophobicContact CG-CG 4.44Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.44Å; M281-L285 HydrophobicContact SD-CG 4.39Å; E282-L285 PolarHBondContact O-N 3.48Å; E282-L285 VanDerWaalsContact O-N 3.08Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.14Å; L285-Y288 PolarHBondContact O-N 3.18Å; L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.04Å
286E94.4Very high90.6Very high82 Ų8251.7 Ų51.738%0.38325%0.253SS..Hα-helixtrans-58.9-43.8174.1-77.1-165.2141.200111.6L248 E282 Y288 Y289 R290L248-E286 HydrophobicContact CD1-CG 4.13Å; L248-E286 HydrophobicContact CD2-CG 4.01Å; E282-E286 HydrophobicContact CG-CG 4.42Å; E282-E286 WeakPolarHBondContact O-CB 3.39Å; E282-E286 WeakPolarHBondContact O-CG 3.31Å; E282-E286 PolarHBondContact O-N 3.2Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.86Å; E286-Y289 WeakPolarHBondContact O-CB 3.49Å; E286-Y289 PolarHBondContact O-N 3.45Å; E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.48Å
287N94.4Very high91.7Very high88 Ų8851.5 Ų51.547%0.47125%0.252SS..Hα-helixtrans-59.1-45.8176.9179.956.1000111.3L283 L284 L285 R290 L291L283-N287 WeakPolarHBondContact O-CB 3.48Å; L283-N287 PolarHBondContact O-N 2.91Å; L284-N287 WeakPolarHBondContact O-CB 3.3Å; L284-N287 PolarHBondContact O-N 3.01Å; L285-N287 VanDerWaalsContact C-N 3.33Å; L285-N287 PolarHBondContact O-N 3.14Å; N287-R290 PolarHBondContact O-N 2.88Å; N287-L291 WeakPolarHBondContact O-CG 3.27Å; N287-L291 PolarHBondContact O-N 3.42Å
288Y94.3Very high92.5Very high5 Ų553.6 Ų53.62%0.0226%0.262CS..Hα-helixtrans-69.5-31.7176.3-76-69.8000113.5E179 L182 Q183 I186 L284 L285 E286 L291 A292E179-Y288 HydrophobicContact CG-CE2 3.96Å; E179-Y288 WeakPolarHBondContact CG-OH 3.47Å; E179-Y288 PolarHBondContact O-OH 3.25Å; L182-Y288 HydrophobicContact CB-CD1 3.88Å; L182-Y288 HydrophobicContact CB-CD2 3.91Å; L182-Y288 HydrophobicContact CB-CE1 4.07Å; L182-Y288 HydrophobicContact CB-CE2 4.11Å; L182-Y288 HydrophobicContact CB-CG 3.81Å; L182-Y288 HydrophobicContact CD1-CD2 3.61Å; L182-Y288 HydrophobicContact CD1-CE2 4.23Å; L182-Y288 HydrophobicContact CD1-CG 3.98Å; L182-Y288 HydrophobicContact CG-CD2 4.42Å; L182-Y288 HydrophobicContact CG-CG 4.49Å; Q183-Y288 HydrophobicContact CB-CE1 4.2Å; Q183-Y288 PolarHBondContact OE1-OH 3.42Å; I186-Y288 HydrophobicContact CG1-CD1 4.01Å; L284-Y288 HydrophobicContact CD2-CD2 3.84Å; L284-Y288 HydrophobicContact CD2-CE2 3.94Å; L284-Y288 HydrophobicContact CG-CD2 4.36Å; L284-Y288 HydrophobicContact CG-CE2 4.21Å; L284-Y288 VanDerWaalsContact O-CD2 3.23Å; L284-Y288 WeakPolarHBondContact O-CD2 3.34Å; L284-Y288 PolarHBondContact O-N 3.48Å; L285-Y288 PolarHBondContact O-N 3.18Å; E286-Y288 VanDerWaalsContact C-N 3.34Å; E286-Y288 PolarHBondContact O-N 2.86Å; Y288-L291 HydrophobicContact CD1-CD1 3.99Å; Y288-L291 HydrophobicContact CE1-CD1 4.18Å; Y288-L291 PolarHBondContact O-N 3.47Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.31Å
289Y95.9Very high93.2Very high47 Ų4753.2 Ų53.218%0.18426%0.258CS..Hα-helixtrans-61.9-44.7170.5173.6-97.2000111.3K241 L245 L285 E286 A292 E293K241-Y289 HydrophobicContact CB-CD2 4.38Å; K241-Y289 HydrophobicContact CB-CE2 4.11Å; K241-Y289 HydrophobicContact CG-CD2 4.44Å; K241-Y289 HydrophobicContact CG-CE2 4.34Å; L245-Y289 HydrophobicContact CD1-CE2 3.6Å; L245-Y289 HydrophobicContact CD2-CD2 4.01Å; L245-Y289 HydrophobicContact CD2-CE1 4.4Å; L245-Y289 HydrophobicContact CD2-CE2 3.55Å; L245-Y289 HydrophobicContact CG-CD2 3.9Å; L245-Y289 HydrophobicContact CG-CE2 3.39Å; L285-Y289 WeakPolarHBondContact O-CB 3.5Å; L285-Y289 PolarHBondContact O-N 3.04Å; E286-Y289 WeakPolarHBondContact O-CB 3.49Å; E286-Y289 PolarHBondContact O-N 3.45Å; Y289-A292 PolarHBondContact O-N 2.83Å; Y289-E293 PolarHBondContact O-N 3.44Å
290R96.1Very high93.6Very high165 Ų16557.7 Ų57.762%0.62327%0.27SS*.Hα-helixtrans-61.7-44.5176-67.8-63.4-175.3164.20.2111.9E286 N287 A292 E293 D294E286-R290 VanDerWaalsContact O-CG 3.31Å; E286-R290 WeakPolarHBondContact O-CG 3.43Å; E286-R290 PolarHBondContact O-N 3.48Å; N287-R290 PolarHBondContact O-N 2.88Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 3.23Å; R290-E293 WeakPolarHBondContact O-CB 3.35Å; R290-E293 PolarHBondContact O-N 2.82Å; R290-E293 VanDerWaalsContact O-N 3.14Å; R290-D294 PolarHBondContact O-N 3.16Å
291L95.8Very high94Very high63 Ų6361.8 Ų61.833%0.3329%0.289SS..Hα-helixtrans-60-39.5175-69174.3000112.2I186 N287 Y288 L295I186-L291 HydrophobicContact CG2-CB 4.47Å; N287-L291 WeakPolarHBondContact O-CG 3.27Å; N287-L291 PolarHBondContact O-N 3.42Å; Y288-L291 HydrophobicContact CD1-CD1 3.99Å; Y288-L291 HydrophobicContact CE1-CD1 4.18Å; Y288-L291 PolarHBondContact O-N 3.47Å; L291-L295 PolarHBondContact O-N 2.93Å; L291-L295 VanDerWaalsContact O-N 3.12Å
292A95.4Very high94.3Very high0 Ų062.3 Ų62.30%029%0.291CS..Hα-helixtrans-70.2-34.4175.100000113.1I186 I237 F240 K241 Y288 Y289 R290 L295 S296I186-A292 HydrophobicContact CD1-CB 3.93Å; I237-A292 WeakPolarHBondContact CG2-O 3.38Å; F240-A292 HydrophobicContact CD1-CB 3.7Å; F240-A292 HydrophobicContact CE1-CB 3.74Å; K241-A292 HydrophobicContact CD-CB 4.25Å; K241-A292 HydrophobicContact CG-CB 3.64Å; Y288-A292 WeakPolarHBondContact O-CB 3.38Å; Y288-A292 PolarHBondContact O-N 3.31Å; Y289-A292 PolarHBondContact O-N 2.83Å; R290-A292 VanDerWaalsContact C-N 3.29Å; R290-A292 PolarHBondContact O-N 3.23Å; A292-L295 PolarHBondContact O-N 2.76Å; A292-S296 WeakPolarHBondContact O-CB 3.23Å; A292-S296 PolarHBondContact O-N 2.78Å
293E96.2Very high94.4Very high47 Ų4763.6 Ų63.622%0.2229%0.293CS..Hα-helixtrans-62.2-47.3173-172.867-118.900111.1K241 Y289 R290 L295 S296 N297K241-E293 WeakPolarHBondContact CE-OE2 3.25Å; K241-E293 IonicContact NZ-OE1 2.95Å; K241-E293 PolarHBondContact NZ-OE1 3.49Å; K241-E293 IonicContact NZ-OE2 2.59Å; K241-E293 PolarHBondContact NZ-OE2 3.21Å; Y289-E293 PolarHBondContact O-N 3.44Å; R290-E293 WeakPolarHBondContact O-CB 3.35Å; R290-E293 PolarHBondContact O-N 2.82Å; R290-E293 VanDerWaalsContact O-N 3.14Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 2.97Å; E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.01Å; E293-S296 VanDerWaalsContact O-N 3.14Å; E293-N297 PolarHBondContact O-N 3.13Å; E293-N297 PolarHBondContact O-ND2 3.45Å
294D96.2Very high94.4Very high93 Ų9362 Ų6250%0.49729%0.288SS..Hα-helixtrans-58.9-45.7177.1-71.3-20.7000110.9R290 S296 N297 E298R290-D294 PolarHBondContact O-N 3.16Å; D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 2.83Å; D294-N297 WeakPolarHBondContact O-CB 2.81Å; D294-N297 PolarHBondContact O-N 3.16Å; D294-N297 VanDerWaalsContact O-N 3.15Å; D294-E298 PolarHBondContact O-N 3Å
295L94.9Very high94.4Very high9 Ų964.3 Ų64.35%0.04730%0.3CS..Hα-helixtrans-63.8-37.9176.3-169.969.1000112.8L189 Q190 L193 I237 L291 A292 E293 N297 E298 A299L189-L295 HydrophobicContact CB-CD2 3.35Å; L189-L295 HydrophobicContact CD1-CD2 4.43Å; Q190-L295 HydrophobicContact CB-CD1 4.19Å; Q190-L295 HydrophobicContact CG-CD1 4.35Å; L193-L295 HydrophobicContact CB-CD1 4.08Å; L193-L295 HydrophobicContact CD2-CD1 3.37Å; L193-L295 HydrophobicContact CD2-CG 4.28Å; L193-L295 HydrophobicContact CG-CD1 4.37Å; I237-L295 HydrophobicContact CD1-CD2 3.85Å; I237-L295 HydrophobicContact CD1-CG 3.8Å; I237-L295 HydrophobicContact CG1-CD2 4.07Å; I237-L295 HydrophobicContact CG1-CG 4.48Å; L291-L295 PolarHBondContact O-N 2.93Å; L291-L295 VanDerWaalsContact O-N 3.12Å; A292-L295 PolarHBondContact O-N 2.76Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 2.97Å; L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 PolarHBondContact O-N 3.44Å; L295-E298 PolarHBondContact O-N 3.21Å; L295-A299 WeakPolarHBondContact O-CB 3.28Å; L295-A299 PolarHBondContact O-N 3.05Å
296S96.3Very high94.2Very high26 Ų2664.8 Ų64.818%0.18230%0.302CS..Hα-helixtrans-62.8-38.1174.5-173.30000111.7A292 E293 D294 R300A292-S296 WeakPolarHBondContact O-CB 3.23Å; A292-S296 PolarHBondContact O-N 2.78Å; E293-S296 WeakPolarHBondContact O-CB 3.35Å; E293-S296 PolarHBondContact O-N 3.01Å; E293-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 VanDerWaalsContact C-N 3.33Å; D294-S296 PolarHBondContact O-N 2.83Å; S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.26Å; S296-R300 PolarHBondContact O-N 3.35Å
297N95.8Very high94Very high69 Ų6965.1 Ų65.137%0.36931%0.307SS..Hα-helixtrans-69.2-44.4178.5-71.7-36.7000111E293 D294 L295 A299 R300 E301E293-N297 PolarHBondContact O-N 3.13Å; E293-N297 PolarHBondContact O-ND2 3.45Å; D294-N297 WeakPolarHBondContact O-CB 2.81Å; D294-N297 PolarHBondContact O-N 3.16Å; D294-N297 VanDerWaalsContact O-N 3.15Å; L295-N297 VanDerWaalsContact C-N 3.3Å; L295-N297 PolarHBondContact O-N 3.44Å; N297-A299 PolarHBondContact O-N 3.29Å; N297-R300 PolarHBondContact O-N 3.38Å; N297-E301 WeakPolarHBondContact O-CG 3.44Å; N297-E301 PolarHBondContact O-N 3.04Å
298E94.9Very high93.6Very high92 Ų9265.5 Ų65.543%0.4331%0.309SS..Hα-helixtrans-60.2-43.3175.1-68.7-177.1-175.400112.2L193 D294 L295 R300 E301 L302L193-E298 HydrophobicContact CD2-CB 3.66Å; D294-E298 PolarHBondContact O-N 3Å; L295-E298 PolarHBondContact O-N 3.21Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 2.87Å; E298-E301 PolarHBondContact O-N 3.21Å; E298-L302 PolarHBondContact O-N 2.83Å
299A94.8Very high93.1Very high0 Ų065.8 Ų65.80%031%0.311CS..Hα-helixtrans-62.2-41.6175.300000111.9L193 L230 E234 I237 L295 N297 L302 R303L193-A299 HydrophobicContact CD1-CB 4.18Å; L230-A299 HydrophobicContact CD1-CB 4.09Å; E234-A299 HydrophobicContact CG-CB 4.02Å; I237-A299 HydrophobicContact CD1-CB 4.35Å; L295-A299 WeakPolarHBondContact O-CB 3.28Å; L295-A299 PolarHBondContact O-N 3.05Å; N297-A299 PolarHBondContact O-N 3.29Å; A299-L302 WeakPolarHBondContact O-CB 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; A299-R303 PolarHBondContact O-N 3.03Å
300R94.8Very high92.5Very high169 Ų16966.5 Ų66.564%0.63832%0.317SS*.Hα-helixtrans-66.4-40.4178.5-179.1173.9177.2145.6-0.1112.6S296 N297 E298 L302 R303 V304S296-R300 VanDerWaalsContact O-CB 3.3Å; S296-R300 WeakPolarHBondContact O-CB 3.26Å; S296-R300 PolarHBondContact O-N 3.35Å; N297-R300 PolarHBondContact O-N 3.38Å; E298-R300 VanDerWaalsContact C-N 3.34Å; E298-R300 PolarHBondContact O-N 2.87Å; R300-L302 VanDerWaalsContact C-N 3.29Å; R300-L302 PolarHBondContact O-N 3.46Å; R300-R303 WeakPolarHBondContact O-CB 3.48Å; R300-R303 PolarHBondContact O-N 3.43Å; R300-V304 WeakPolarHBondContact O-CG2 3.4Å; R300-V304 PolarHBondContact O-N 2.59Å
301E93Very high91.7Very high145 Ų14561.7 Ų61.768%0.67831%0.308SS*.Hα-helixtrans-58.6-44.6174.4-75.4-178.1178.900111N297 E298 R303 V304 L305N297-E301 WeakPolarHBondContact O-CG 3.44Å; N297-E301 PolarHBondContact O-N 3.04Å; E298-E301 PolarHBondContact O-N 3.21Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 3.5Å; E301-V304 PolarHBondContact O-N 3.07Å; E301-L305 PolarHBondContact O-N 2.95Å
302L92.4Very high90.9Very high11 Ų1162.4 Ų62.46%0.05831%0.312CS..Hα-helixtrans-63.9-37.2176.5-171.360.1000112L193 Q197 I200 L201 L230 E298 A299 R300 L305 I306L193-L302 HydrophobicContact CD1-CD2 4.32Å; Q197-L302 HydrophobicContact CB-CD2 4.19Å; Q197-L302 HydrophobicContact CG-CD2 4.47Å; I200-L302 HydrophobicContact CB-CD1 4.08Å; I200-L302 HydrophobicContact CB-CD2 4.43Å; I200-L302 HydrophobicContact CB-CG 4.48Å; I200-L302 HydrophobicContact CD1-CD2 3.57Å; I200-L302 HydrophobicContact CD1-CG 4.04Å; I200-L302 HydrophobicContact CG2-CD1 3.63Å; I200-L302 HydrophobicContact CG2-CG 4.13Å; L201-L302 HydrophobicContact CD2-CD1 4.44Å; L201-L302 HydrophobicContact CG-CD1 4.48Å; L230-L302 HydrophobicContact CD1-CD2 4.16Å; L230-L302 HydrophobicContact CD2-CB 4.14Å; L230-L302 HydrophobicContact CD2-CD2 4.13Å; L230-L302 HydrophobicContact CD2-CG 3.97Å; E298-L302 PolarHBondContact O-N 2.83Å; A299-L302 WeakPolarHBondContact O-CB 2.97Å; A299-L302 PolarHBondContact O-N 2.76Å; R300-L302 VanDerWaalsContact C-N 3.29Å; R300-L302 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.33Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.35Å
303R92.5Very high90.1Very high96 Ų9662.7 Ų62.736%0.36231%0.313SS..Hα-helixtrans-65-43.7176.3-18055.8173.3-10016112.5L230 S231 E234 A299 R300 E301 L305 I306 D307L230-R303 HydrophobicContact CD2-CB 4.03Å; S231-R303 PolarHBondContact OG-NH1 2.88Å; E234-R303 VanDerWaalsContact OE1-CB 3.27Å; E234-R303 WeakPolarHBondContact OE1-CB 3.5Å; E234-R303 IonicContact OE2-NH1 3.77Å; E234-R303 PolarHBondContact OE2-NH1 3.18Å; A299-R303 PolarHBondContact O-N 3.03Å; R300-R303 WeakPolarHBondContact O-CB 3.48Å; R300-R303 PolarHBondContact O-N 3.43Å; E301-R303 VanDerWaalsContact C-N 3.31Å; E301-R303 PolarHBondContact O-N 3.5Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.1Å; R303-I306 PolarHBondContact O-N 3.34Å; R303-D307 PolarHBondContact O-N 2.95Å; R303-D307 VanDerWaalsContact O-N 3.11Å
304V91.6Very high89.2Confident73 Ų7365.5 Ų65.544%0.44233%0.325SS..Hα-helixtrans-60.8-43.8175.1171.70000110.2R300 E301 I306 D307 D308R300-V304 WeakPolarHBondContact O-CG2 3.4Å; R300-V304 PolarHBondContact O-N 2.59Å; E301-V304 PolarHBondContact O-N 3.07Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 2.79Å; V304-D307 PolarHBondContact O-N 3.19Å; V304-D307 VanDerWaalsContact O-N 3.1Å; V304-D308 PolarHBondContact O-N 3.21Å
305L89.9Confident88.4Confident68 Ų6866.9 Ų66.936%0.35633%0.331SS..Hα-helixtrans-61-38.3177.9-175.266.9000113L201 L204 E301 L302 R303 S309L201-L305 HydrophobicContact CD2-CD2 3.27Å; L204-L305 HydrophobicContact CD1-CD2 4.06Å; L204-L305 HydrophobicContact CD1-CG 3.87Å; E301-L305 PolarHBondContact O-N 2.95Å; L302-L305 PolarHBondContact O-N 3.33Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.1Å; L305-S309 VanDerWaalsContact O-CB 3.28Å; L305-S309 WeakPolarHBondContact O-CB 3.23Å; L305-S309 PolarHBondContact O-N 3.11Å; L305-S309 PolarHBondContact O-OG 3.12Å
306I89.6Confident87.5Confident12 Ų1268.5 Ų68.56%0.06234%0.34CS..Hα-helixtrans-62.8-45.7173.7-69.1166.5000110.5I200 L204 L223 L230 L302 R303 V304 S309 Q310I200-I306 HydrophobicContact CD1-CD1 3.96Å; I200-I306 HydrophobicContact CG1-CD1 4.32Å; I200-I306 HydrophobicContact CG2-CD1 3.77Å; I200-I306 HydrophobicContact CG2-CG1 3.57Å; L204-I306 HydrophobicContact CD1-CG1 4.2Å; L223-I306 HydrophobicContact CD1-CG1 4.41Å; L230-I306 HydrophobicContact CD2-CD1 3.74Å; L302-I306 WeakPolarHBondContact O-CG1 3.25Å; L302-I306 PolarHBondContact O-N 3.35Å; R303-I306 PolarHBondContact O-N 3.34Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 2.79Å; I306-S309 PolarHBondContact O-N 3.35Å; I306-Q310 VanDerWaalsContact O-CB 3.23Å; I306-Q310 WeakPolarHBondContact O-CB 3.45Å; I306-Q310 PolarHBondContact O-N 3.29Å
307D88.5Confident86.6Confident90 Ų9070 Ų7048%0.48135%0.345SS..Hα-helixtrans-66.2-43.2-177.2-163.239.6000112.1R303 V304 S309 Q310 S311R303-D307 PolarHBondContact O-N 2.95Å; R303-D307 VanDerWaalsContact O-N 3.11Å; V304-D307 PolarHBondContact O-N 3.19Å; V304-D307 VanDerWaalsContact O-N 3.1Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.27Å; D307-Q310 PolarHBondContact O-N 3.34Å; D307-S311 PolarHBondContact O-N 3.18Å; D307-S311 VanDerWaalsContact O-N 3.16Å; D307-S311 PolarHBondContact O-OG 3.24Å
308D86.6Confident85.8Confident96 Ų9671 Ų7151%0.51335%0.35SS..Hα-helixtrans-59.1-46.1173.7-75.4-16.7000111V304 S311 I312V304-D308 PolarHBondContact O-N 3.21Å; D308-S311 PolarHBondContact O-N 3.27Å; D308-I312 PolarHBondContact O-N 3.21Å
309S84.4Confident85Confident10 Ų1069.6 Ų69.67%0.0735%0.351CS..Hα-helixtrans-70.8-35-179.9-57.70000112.6L204 L305 I306 D307 S311 I312 I313L204-S309 VanDerWaalsContact CD2-CB 3.44Å; L305-S309 VanDerWaalsContact O-CB 3.28Å; L305-S309 WeakPolarHBondContact O-CB 3.23Å; L305-S309 PolarHBondContact O-N 3.11Å; L305-S309 PolarHBondContact O-OG 3.12Å; I306-S309 PolarHBondContact O-N 3.35Å; D307-S309 VanDerWaalsContact C-N 3.34Å; D307-S309 PolarHBondContact O-N 3.27Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S309-I312 PolarHBondContact O-N 3.08Å; S309-I312 VanDerWaalsContact O-N 3.17Å; S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.25Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 3.38Å
310Q83.1Confident84.1Confident63 Ų6372.9 Ų72.929%0.29437%0.366SS..Hα-helixtrans-59.9-42.9176.3-179.6179.3-78.500110.6I306 D307 I312 I313 F314I306-Q310 VanDerWaalsContact O-CB 3.23Å; I306-Q310 WeakPolarHBondContact O-CB 3.45Å; I306-Q310 PolarHBondContact O-N 3.29Å; D307-Q310 PolarHBondContact O-N 3.34Å; Q310-I312 VanDerWaalsContact C-N 3.34Å; Q310-I312 PolarHBondContact O-N 3.03Å; Q310-I313 PolarHBondContact O-N 3.42Å; Q310-F314 HydrophobicContact CG-CD2 3.65Å; Q310-F314 HydrophobicContact CG-CE2 3.34Å; Q310-F314 HydrophobicContact CG-CZ 4.45Å; Q310-F314 WeakPolarHBondContact O-CD2 3.19Å; Q310-F314 PolarHBondContact O-N 3.07Å
311S80.1Confident83.5Confident64 Ų6473.3 Ų73.345%0.44837%0.368SS..Hα-helixtrans-60.5-42.6175.2-63.20000112D307 D308 S309 F314 I315D307-S311 PolarHBondContact O-N 3.18Å; D307-S311 VanDerWaalsContact O-N 3.16Å; D307-S311 PolarHBondContact O-OG 3.24Å; D308-S311 PolarHBondContact O-N 3.27Å; S309-S311 VanDerWaalsContact C-N 3.29Å; S309-S311 PolarHBondContact O-N 3.3Å; S311-F314 PolarHBondContact O-N 2.95Å; S311-I315 VanDerWaalsContact O-CG1 3.27Å; S311-I315 WeakPolarHBondContact O-CG1 3.4Å; S311-I315 PolarHBondContact O-N 3.42Å
312I77.3Confident82.9Confident78 Ų7870.5 Ų70.540%0.436%0.358SS..Hα-helixtrans-63.7-44.8176-63.8169.2000111.2D308 S309 Q310 F314 I315 N316D308-I312 PolarHBondContact O-N 3.21Å; S309-I312 PolarHBondContact O-N 3.08Å; S309-I312 VanDerWaalsContact O-N 3.17Å; Q310-I312 VanDerWaalsContact C-N 3.34Å; Q310-I312 PolarHBondContact O-N 3.03Å; I312-F314 VanDerWaalsContact C-N 3.33Å; I312-F314 PolarHBondContact O-N 2.98Å; I312-I315 PolarHBondContact O-N 3.06Å; I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 3.35Å
313I78.3Confident82.5Confident5 Ų573.3 Ų73.33%0.02638%0.375CS..Hα-helixtrans-61.1-42.7178.4-67.5160.7000110.6L207 L220 L223 S309 Q310 N316 L317L207-I313 HydrophobicContact CB-CD1 3.71Å; L207-I313 HydrophobicContact CB-CG1 4.06Å; L207-I313 HydrophobicContact CD1-CD1 3.89Å; L207-I313 HydrophobicContact CG-CD1 4.38Å; L220-I313 HydrophobicContact CD1-CG2 4.35Å; L223-I313 HydrophobicContact CD2-CD1 4.04Å; S309-I313 WeakPolarHBondContact O-CD1 3.38Å; S309-I313 VanDerWaalsContact O-CG1 3.25Å; S309-I313 WeakPolarHBondContact O-CG1 3.45Å; S309-I313 PolarHBondContact O-N 3.38Å; Q310-I313 PolarHBondContact O-N 3.42Å; I313-N316 PolarHBondContact O-N 3.27Å; I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 3.45Å
314F78.4Confident82Confident107 Ų10774.9 Ų74.947%0.46939%0.388SS..Hα-helixtrans-62.7-45176.2-81.8-61.6000112.3Q310 S311 I312 N316 L317 D318Q310-F314 HydrophobicContact CG-CD2 3.65Å; Q310-F314 HydrophobicContact CG-CE2 3.34Å; Q310-F314 HydrophobicContact CG-CZ 4.45Å; Q310-F314 WeakPolarHBondContact O-CD2 3.19Å; Q310-F314 PolarHBondContact O-N 3.07Å; S311-F314 PolarHBondContact O-N 2.95Å; I312-F314 VanDerWaalsContact C-N 3.33Å; I312-F314 PolarHBondContact O-N 2.98Å; F314-N316 VanDerWaalsContact C-N 3.26Å; F314-N316 PolarHBondContact O-N 3.29Å; F314-L317 PolarHBondContact O-N 3.17Å; F314-D318 PolarHBondContact O-N 3.46Å
315I78.9Confident81.7Confident122 Ų12276.5 Ų76.563%0.62639%0.392SS*.Hα-helixtrans-58.8-41.1175.5-68.3165.5000110.8S311 I312 S319S311-I315 VanDerWaalsContact O-CG1 3.27Å; S311-I315 WeakPolarHBondContact O-CG1 3.4Å; S311-I315 PolarHBondContact O-N 3.42Å; I312-I315 PolarHBondContact O-N 3.06Å; I315-S319 WeakPolarHBondContact O-CB 3.1Å; I315-S319 PolarHBondContact O-N 3.43Å
316N75.6Confident81.5Confident43 Ų4377.8 Ų77.823%0.2339%0.392CS..Hα-helixtrans-66.9-45.5178.7-166.9-27000111.7I312 I313 F314 D318 S319 H320I312-N316 WeakPolarHBondContact O-CB 3.48Å; I312-N316 PolarHBondContact O-N 3.35Å; I313-N316 PolarHBondContact O-N 3.27Å; F314-N316 VanDerWaalsContact C-N 3.26Å; F314-N316 PolarHBondContact O-N 3.29Å; N316-D318 VanDerWaalsContact C-N 3.33Å; N316-D318 PolarHBondContact O-N 3.42Å; N316-S319 WeakPolarHBondContact O-CB 3.27Å; N316-S319 PolarHBondContact O-N 2.88Å; N316-S319 VanDerWaalsContact O-N 3.15Å; N316-H320 PolarHBondContact O-CD2 3.29Å; N316-H320 PolarHBondContact O-N 3.28Å; N316-H320 PolarHBondContact OD1-CD2 3.45Å; N316-H320 PolarHBondContact OD1-NE2 3.28Å
317L78.1Confident81.4Confident58 Ų5881.1 Ų81.130%0.30441%0.41SS..Hα-helixtrans-60.1-41.7175.9-77.7175.1000112.6V215 I313 F314 H320 R321V215-L317 HydrophobicContact CB-CD2 3.68Å; V215-L317 HydrophobicContact CB-CG 4.49Å; V215-L317 HydrophobicContact CG1-CD1 4.38Å; V215-L317 HydrophobicContact CG1-CD2 3.83Å; V215-L317 HydrophobicContact CG1-CG 4.29Å; V215-L317 HydrophobicContact CG2-CD2 3.72Å; V215-L317 HydrophobicContact CG2-CG 4.21Å; I313-L317 HydrophobicContact CG2-CD1 4.16Å; I313-L317 HydrophobicContact CG2-CG 4.49Å; I313-L317 WeakPolarHBondContact O-CG 3.4Å; I313-L317 PolarHBondContact O-N 3.45Å; F314-L317 PolarHBondContact O-N 3.17Å; L317-H320 PolarHBondContact O-N 3.34Å; L317-R321 PolarHBondContact O-N 2.98Å
318D78.8Confident81.4Confident88 Ų8881.6 Ų81.647%0.47141%0.412SS..Hα-helixtrans-67.2-38175.3-82.3-22.2000111.7F314 N316 H320 R321 N322F314-D318 PolarHBondContact O-N 3.46Å; N316-D318 VanDerWaalsContact C-N 3.33Å; N316-D318 PolarHBondContact O-N 3.42Å; D318-H320 PolarHBondContact O-N 3.16Å; D318-R321 PolarHBondContact O-N 3.29Å; D318-N322 WeakPolarHBondContact O-CB 3.38Å; D318-N322 PolarHBondContact O-N 2.97Å; D318-N322 PolarHBondContact O-ND2 3.28Å; D318-N322 VanDerWaalsContact O-ND2 3.14Å
319S78.9Confident81.6Confident64 Ų6480.6 Ų80.645%0.44841%0.407SS..Hα-helixtrans-58.6-46.5171.8-174.20000111.6I315 N316 R321 N322 V323I315-S319 WeakPolarHBondContact O-CB 3.1Å; I315-S319 PolarHBondContact O-N 3.43Å; N316-S319 WeakPolarHBondContact O-CB 3.27Å; N316-S319 PolarHBondContact O-N 2.88Å; N316-S319 VanDerWaalsContact O-N 3.15Å; S319-R321 PolarHBondContact O-N 3.44Å; S319-N322 WeakPolarHBondContact O-CB 3.43Å; S319-N322 PolarHBondContact O-N 3.41Å; S319-N322 VanDerWaalsContact O-N 3.16Å; S319-V323 WeakPolarHBondContact O-CG2 3.42Å; S319-V323 PolarHBondContact O-N 2.9Å
320H75.6Confident81.8Confident68 Ų6883.1 Ų83.132%0.31542%0.417SS..Hα-helixtrans-60.1-44.3175.2-86.7-72.4000112.5S213 N316 L317 D318 N322 V323 M324S213-H320 PolarHBondContact O-CE1 3.13Å; N316-H320 PolarHBondContact O-CD2 3.29Å; N316-H320 PolarHBondContact O-N 3.28Å; N316-H320 PolarHBondContact OD1-CD2 3.45Å; N316-H320 PolarHBondContact OD1-NE2 3.28Å; L317-H320 PolarHBondContact O-N 3.34Å; D318-H320 PolarHBondContact O-N 3.16Å; H320-N322 VanDerWaalsContact C-N 3.3Å; H320-N322 PolarHBondContact O-N 3.33Å; H320-V323 PolarHBondContact O-N 3.45Å; H320-M324 WeakPolarHBondContact O-CG 3.39Å; H320-M324 PolarHBondContact O-N 2.92Å
321R82.4Confident82.2Confident178 Ų17885.4 Ų85.467%0.67243%0.431SS*.Hα-helixtrans-60.4-41.8174.6-176.9-178.6177.2175.9-0.5111.4L317 D318 S319 M324 M325L317-R321 PolarHBondContact O-N 2.98Å; D318-R321 PolarHBondContact O-N 3.29Å; S319-R321 PolarHBondContact O-N 3.44Å; R321-M324 PolarHBondContact O-N 3.4Å; R321-M325 WeakPolarHBondContact O-CB 3.45Å; R321-M325 PolarHBondContact O-N 2.93Å
322N80.7Confident82.8Confident87 Ų8786 Ų8647%0.46543%0.431SS..Hα-helixtrans-65.7-38.3178-71.1-25.9000112D318 S319 H320 M325 R326D318-N322 WeakPolarHBondContact O-CB 3.38Å; D318-N322 PolarHBondContact O-N 2.97Å; D318-N322 PolarHBondContact O-ND2 3.28Å; D318-N322 VanDerWaalsContact O-ND2 3.14Å; S319-N322 WeakPolarHBondContact O-CB 3.43Å; S319-N322 PolarHBondContact O-N 3.41Å; S319-N322 VanDerWaalsContact O-N 3.16Å; H320-N322 VanDerWaalsContact C-N 3.3Å; H320-N322 PolarHBondContact O-N 3.33Å; N322-M325 PolarHBondContact O-N 2.94Å; N322-R326 WeakPolarHBondContact O-CB 3.33Å; N322-R326 PolarHBondContact O-N 3.34Å
323V83.4Confident83.5Confident70 Ų7084 Ų8442%0.42442%0.421SS..Hα-helixtrans-63.7-46.8172.9171.40000110.9S319 H320 M325 R326 L327S319-V323 WeakPolarHBondContact O-CG2 3.42Å; S319-V323 PolarHBondContact O-N 2.9Å; H320-V323 PolarHBondContact O-N 3.45Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 3.15Å; V323-R326 WeakPolarHBondContact O-CB 3.46Å; V323-R326 PolarHBondContact O-N 2.92Å; V323-L327 HydrophobicContact CG1-CD1 4.26Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 2.89Å
324M81.6Confident84.2Confident128 Ų12883.8 Ų83.863%0.63142%0.42SS*.Hα-helixtrans-61.6-42.2177.8-71.4-62.6-7200112H320 R321 R326 L327 N328H320-M324 WeakPolarHBondContact O-CG 3.39Å; H320-M324 PolarHBondContact O-N 2.92Å; R321-M324 PolarHBondContact O-N 3.4Å; M324-R326 VanDerWaalsContact C-N 3.34Å; M324-R326 PolarHBondContact O-N 3.04Å; M324-L327 PolarHBondContact O-N 3.19Å; M324-L327 HydrophobicContact SD-CD1 4.48Å; M324-N328 WeakPolarHBondContact O-CB 3.35Å; M324-N328 PolarHBondContact O-N 2.91Å
325M86.3Confident84.9Confident107 Ų10782.6 Ų82.653%0.52742%0.422SS..Hα-helixtrans-63.6-40.5175.7-172.6164.467.500111.6R321 N322 V323 N328 L329R321-M325 WeakPolarHBondContact O-CB 3.45Å; R321-M325 PolarHBondContact O-N 2.93Å; N322-M325 PolarHBondContact O-N 2.94Å; V323-M325 VanDerWaalsContact C-N 3.34Å; V323-M325 PolarHBondContact O-N 3.15Å; M325-N328 PolarHBondContact O-N 3.32Å; M325-L329 WeakPolarHBondContact O-CG 3.33Å; M325-L329 PolarHBondContact O-N 3.43Å
326R84.2Confident85.6Confident96 Ų9682.5 Ų82.536%0.36242%0.417SS..Hα-helixtrans-60.7-46.6173.8-175.3-171.5-65.8-106.411.2111.4N322 V323 M324 N328 L329 Q330N322-R326 WeakPolarHBondContact O-CB 3.33Å; N322-R326 PolarHBondContact O-N 3.34Å; V323-R326 WeakPolarHBondContact O-CB 3.46Å; V323-R326 PolarHBondContact O-N 2.92Å; M324-R326 VanDerWaalsContact C-N 3.34Å; M324-R326 PolarHBondContact O-N 3.04Å; R326-N328 PolarHBondContact O-N 3.34Å; R326-L329 PolarHBondContact O-N 2.86Å; R326-Q330 VanDerWaalsContact O-CG 3.31Å; R326-Q330 WeakPolarHBondContact O-CG 3.43Å; R326-Q330 PolarHBondContact O-N 3.16Å
327L88.1Confident86.5Confident82 Ų8280.5 Ų80.543%0.42941%0.406SS..Hα-helixtrans-62-42.8177.6-71.7174.4000111.7V323 M324 L329 Q330 L331V323-L327 HydrophobicContact CG1-CD1 4.26Å; V323-L327 WeakPolarHBondContact O-CG 3.42Å; V323-L327 PolarHBondContact O-N 2.89Å; M324-L327 PolarHBondContact O-N 3.19Å; M324-L327 HydrophobicContact SD-CD1 4.48Å; L327-L329 PolarHBondContact O-N 2.93Å; L327-Q330 PolarHBondContact O-N 3.13Å; L327-L331 WeakPolarHBondContact O-CG 3.42Å; L327-L331 PolarHBondContact O-N 2.84Å
328N89.2Confident87.2Confident100 Ų10083.2 Ų83.254%0.53542%0.421SS..Hα-helixtrans-61.9-42.9176.8-173.132.6000112.3M324 M325 R326 L331 T332M324-N328 WeakPolarHBondContact O-CB 3.35Å; M324-N328 PolarHBondContact O-N 2.91Å; M325-N328 PolarHBondContact O-N 3.32Å; R326-N328 PolarHBondContact O-N 3.34Å; N328-L331 PolarHBondContact O-N 3.48Å; N328-T332 WeakPolarHBondContact O-CB 3.47Å; N328-T332 PolarHBondContact O-N 3.26Å; N328-T332 PolarHBondContact O-OG1 3.19Å
329L89.7Confident88Confident75 Ų7582.5 Ų82.539%0.39342%0.422SS..Hα-helixtrans-62.3-44174.6-76.3171.5000111.8M325 R326 L327 T332 M333M325-L329 WeakPolarHBondContact O-CG 3.33Å; M325-L329 PolarHBondContact O-N 3.43Å; R326-L329 PolarHBondContact O-N 2.86Å; L327-L329 PolarHBondContact O-N 2.93Å; L329-T332 PolarHBondContact O-N 2.93Å; L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.37Å; L329-M333 PolarHBondContact O-N 3.49Å
330Q89.5Confident88.6Confident62 Ų6283.6 Ų83.629%0.2942%0.423SS..Hα-helixtrans-61.7-44.1176.9-71.3178.4-14.800112R326 L327 T332 G334 W378 L382R326-Q330 VanDerWaalsContact O-CG 3.31Å; R326-Q330 WeakPolarHBondContact O-CG 3.43Å; R326-Q330 PolarHBondContact O-N 3.16Å; L327-Q330 PolarHBondContact O-N 3.13Å; Q330-T332 PolarHBondContact O-N 3.1Å; Q330-G334 PolarHBondContact O-N 2.86Å; Q330-G334 VanDerWaalsContact O-N 3.11Å; Q330-W378 WeakPolarHBondContact O-CZ2 3.45Å; Q330-L382 HydrophobicContact CB-CD2 4.25Å; Q330-L382 HydrophobicContact CG-CD2 3.71Å
331L91.4Very high89.3Confident112 Ų11282.6 Ų82.659%0.58642%0.418SS*.Hα-helixtrans-62-41.9174.7-73.8171.9000111.8L327 N328 G334 T335L327-L331 WeakPolarHBondContact O-CG 3.42Å; L327-L331 PolarHBondContact O-N 2.84Å; N328-L331 PolarHBondContact O-N 3.48Å; L331-G334 CarbonylContact O-C 3.52Å; L331-G334 WeakPolarHBondContact O-CA 3.48Å; L331-G334 PolarHBondContact O-N 3.14Å; L331-G334 VanDerWaalsContact O-N 3.1Å; L331-T335 WeakPolarHBondContact O-CG2 3.45Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.5Å
332T92.6Very high89.7Confident75 Ų7575.4 Ų75.446%0.4640%0.398SS..Hα-helixtrans-67.2-45.2-179.9-56.80000112.6N328 L329 Q330 G334 T335 F336N328-T332 WeakPolarHBondContact O-CB 3.47Å; N328-T332 PolarHBondContact O-N 3.26Å; N328-T332 PolarHBondContact O-OG1 3.19Å; L329-T332 PolarHBondContact O-N 2.93Å; Q330-T332 PolarHBondContact O-N 3.1Å; T332-G334 PolarHBondContact O-N 3.41Å; T332-G334 VanDerWaalsContact O-N 3.16Å; T332-T335 PolarHBondContact O-N 2.99Å; T332-T335 PolarHBondContact O-OG1 2.81Å; T332-F336 VanDerWaalsContact O-CB 3.31Å; T332-F336 WeakPolarHBondContact O-CB 3.34Å; T332-F336 PolarHBondContact O-N 3.5Å
333M91.8Very high90.2Very high37 Ų3776.9 Ų76.918%0.18241%0.406CS..Hα-helixtrans-56.1-32.5171.4-71.4173.8-175.700111.1L329 S337 L381 L385L329-M333 VanDerWaalsContact O-CG 3.3Å; L329-M333 WeakPolarHBondContact O-CG 3.37Å; L329-M333 PolarHBondContact O-N 3.49Å; M333-S337 PolarHBondContact O-N 3.29Å; M333-L381 HydrophobicContact CB-CB 4.26Å; M333-L381 HydrophobicContact CB-CD1 4.15Å; M333-L381 HydrophobicContact CG-CB 4.34Å; M333-L381 HydrophobicContact SD-CB 4.13Å; M333-L385 HydrophobicContact CE-CB 4.17Å; M333-L385 HydrophobicContact CE-CD1 3.74Å; M333-L385 HydrophobicContact CE-CD2 3.8Å; M333-L385 HydrophobicContact CE-CG 4.1Å; M333-L385 HydrophobicContact SD-CB 4.43Å; M333-L385 HydrophobicContact SD-CD2 4.09Å
334G92.3Very high90.3Very high1 Ų178 Ų781%0.0141%0.408CS..Hα-helixtrans-73.4-51.4-178.300000117.7Q330 L331 T332 F336 S337 L338 W378Q330-G334 PolarHBondContact O-N 2.86Å; Q330-G334 VanDerWaalsContact O-N 3.11Å; L331-G334 CarbonylContact O-C 3.52Å; L331-G334 WeakPolarHBondContact O-CA 3.48Å; L331-G334 PolarHBondContact O-N 3.14Å; L331-G334 VanDerWaalsContact O-N 3.1Å; T332-G334 PolarHBondContact O-N 3.41Å; T332-G334 VanDerWaalsContact O-N 3.16Å; G334-F336 PolarHBondContact O-N 2.91Å; G334-S337 PolarHBondContact O-N 3.48Å; G334-L338 PolarHBondContact O-N 3.34Å; G334-W378 VanDerWaalsContact C-CZ3 3.48Å
335T93.8Very high90.4Very high81 Ų8173.2 Ų73.250%0.49739%0.391SS..Hα-helixtrans-60.8-36172.153.80000110.5L331 T332 L338 S339L331-T335 WeakPolarHBondContact O-CG2 3.45Å; L331-T335 PolarHBondContact O-N 2.93Å; L331-T335 PolarHBondContact O-OG1 3.5Å; T332-T335 PolarHBondContact O-N 2.99Å; T332-T335 PolarHBondContact O-OG1 2.81Å; T335-L338 PolarHBondContact O-N 3.38Å; T335-S339 VanDerWaalsContact O-CB 3.24Å; T335-S339 WeakPolarHBondContact O-CB 3.31Å; T335-S339 PolarHBondContact O-N 3.27Å; T335-S339 PolarHBondContact O-OG 2.91Å
336F94.4Very high90.6Very high121 Ų12172.6 Ų72.653%0.53139%0.393SS..Hα-helixtrans-59.9-49.1172.3176-103.5000112.1T332 G334 L338 S339 L340 L381T332-F336 VanDerWaalsContact O-CB 3.31Å; T332-F336 WeakPolarHBondContact O-CB 3.34Å; T332-F336 PolarHBondContact O-N 3.5Å; G334-F336 PolarHBondContact O-N 2.91Å; F336-L338 PolarHBondContact O-N 2.93Å; F336-S339 PolarHBondContact O-N 3.5Å; F336-L340 PolarHBondContact O-N 2.67Å; F336-L381 HydrophobicContact CD1-CD1 4.07Å
337S93.9Very high90.6Very high0 Ų070.3 Ų70.30%040%0.395CS..Hα-helixtrans-61.2-44.4178.2-165.40000112.3M333 G334 S374 I377 W378M333-S337 PolarHBondContact O-N 3.29Å; G334-S337 PolarHBondContact O-N 3.48Å; S337-S374 PolarHBondContact O-OG 3.38Å; S337-S374 PolarHBondContact OG-O 2.9Å; S337-S374 PolarHBondContact OG-OG 2.91Å; S337-I377 WeakPolarHBondContact OG-CB 3.2Å; S337-W378 PolarHBondContact OG-N 3.41Å
338L93.3Very high90.2Very high116 Ų11670.8 Ų70.861%0.60739%0.394SS*.Hα-helixtrans-66.3-38177-175.362.2000112.2G334 T335 F336 G342G334-L338 PolarHBondContact O-N 3.34Å; T335-L338 PolarHBondContact O-N 3.38Å; F336-L338 PolarHBondContact O-N 2.93Å; L338-G342 VanDerWaalsContact O-CA 3.32Å; L338-G342 WeakPolarHBondContact O-CA 3.3Å; L338-G342 PolarHBondContact O-N 3.09Å
339S94.3Very high89.7Confident72 Ų7269.2 Ų69.250%0.50340%0.401SS..Hα-helixtrans-65.9-43.3179.1-60.30000111.5T335 F336 F341 G342 L343T335-S339 VanDerWaalsContact O-CB 3.24Å; T335-S339 WeakPolarHBondContact O-CB 3.31Å; T335-S339 PolarHBondContact O-N 3.27Å; T335-S339 PolarHBondContact O-OG 2.91Å; F336-S339 PolarHBondContact O-N 3.5Å; S339-F341 PolarHBondContact O-N 3.02Å; S339-G342 PolarHBondContact O-N 3.42Å; S339-L343 WeakPolarHBondContact O-CG 3.18Å; S339-L343 PolarHBondContact O-N 2.91Å
340L92.4Very high89.4Confident87 Ų8770.9 Ų70.946%0.45541%0.408SS..Hα-helixtrans-59.6-45.9-178.1-176.664.6000112.5F336 I377F336-L340 PolarHBondContact O-N 2.67Å; L340-I377 HydrophobicContact CD2-CD1 3.76Å
341F90.6Very high88.5Confident48 Ų4876.3 Ų76.321%0.21144%0.439CS..Hα-helixtrans-82.8-28.2176.5-72-80.3000112.8S339 L343 M344 G345 M370 G373 S374 I377S339-F341 PolarHBondContact O-N 3.02Å; F341-L343 VanDerWaalsContact C-N 3.27Å; F341-L343 PolarHBondContact O-N 2.77Å; F341-M344 VanDerWaalsContact O-CB 3.31Å; F341-M344 WeakPolarHBondContact O-CB 3.34Å; F341-M344 PolarHBondContact O-N 3.15Å; F341-M344 VanDerWaalsContact O-N 3.07Å; F341-G345 PolarHBondContact O-N 3.35Å; F341-M370 HydrophobicContact CB-CB 4.48Å; F341-M370 WeakPolarHBondContact O-CE 3.34Å; F341-G373 WeakPolarHBondContact CE2-O 3.22Å; F341-G373 VanDerWaalsContact CZ-CA 3.41Å; F341-S374 VanDerWaalsContact CD2-CA 3.43Å; F341-S374 VanDerWaalsContact CD2-N 3.28Å; F341-S374 VanDerWaalsContact CE2-N 3.25Å; F341-I377 HydrophobicContact CD2-CD1 4.43Å; F341-I377 HydrophobicContact CE2-CB 4.47Å; F341-I377 HydrophobicContact CE2-CD1 3.35Å; F341-I377 HydrophobicContact CE2-CG1 3.91Å; F341-I377 HydrophobicContact CZ-CD1 3.8Å; F341-I377 HydrophobicContact CZ-CG1 4.41Å
342G90.5Very high87.5Confident26 Ų2677 Ų7727%0.26844%0.442SS..Hα-helixtrans-60-36.1174.200000112.5L338 S339 M344 G345 V346L338-G342 VanDerWaalsContact O-CA 3.32Å; L338-G342 WeakPolarHBondContact O-CA 3.3Å; L338-G342 PolarHBondContact O-N 3.09Å; S339-G342 PolarHBondContact O-N 3.42Å; G342-M344 PolarHBondContact O-N 3.48Å; G342-G345 CarbonylContact O-C 3.59Å; G342-G345 WeakPolarHBondContact O-CA 3.41Å; G342-G345 PolarHBondContact O-N 2.8Å; G342-V346 WeakPolarHBondContact O-CG2 3.49Å; G342-V346 PolarHBondContact O-N 3.17Å
343L90.8Very high86Confident119 Ų11983.4 Ų83.462%0.62347%0.467SS*.Hα-helixtrans-57.5-35.7173.1-72.9173.1000112.7S339 F341 V346 A347S339-L343 WeakPolarHBondContact O-CG 3.18Å; S339-L343 PolarHBondContact O-N 2.91Å; F341-L343 VanDerWaalsContact C-N 3.27Å; F341-L343 PolarHBondContact O-N 2.77Å; L343-V346 PolarHBondContact O-N 3.45Å; L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 3.21Å
344M84.8Confident84.6Confident93 Ų9384 Ų8446%0.45848%0.476SS..Hα-helixtrans-66.7-41175.9-158.571.4-151.500111.2F341 G342 A347 F348 M370F341-M344 VanDerWaalsContact O-CB 3.31Å; F341-M344 WeakPolarHBondContact O-CB 3.34Å; F341-M344 PolarHBondContact O-N 3.15Å; F341-M344 VanDerWaalsContact O-N 3.07Å; G342-M344 PolarHBondContact O-N 3.48Å; M344-A347 PolarHBondContact O-N 3.42Å; M344-F348 HydrophobicContact CE-CD2 4.03Å; M344-F348 HydrophobicContact CE-CE2 3.17Å; M344-F348 HydrophobicContact CE-CZ 3.48Å; M344-F348 VanDerWaalsContact CE-CZ 3.48Å; M344-F348 HydrophobicContact CG-CD2 4.14Å; M344-F348 HydrophobicContact CG-CE2 3.85Å; M344-F348 WeakPolarHBondContact O-CD2 3.24Å; M344-F348 PolarHBondContact O-N 3.11Å; M344-F348 VanDerWaalsContact O-N 3.15Å; M344-F348 HydrophobicContact SD-CE2 4.35Å; M344-M370 HydrophobicContact CB-SD 4.28Å
345G85.4Confident83.2Confident28 Ų2890 Ų9029%0.28952%0.517SS..Hα-helixtrans-65.9-37.7173.900000112.9F341 G342 G349F341-G345 PolarHBondContact O-N 3.35Å; G342-G345 CarbonylContact O-C 3.59Å; G342-G345 WeakPolarHBondContact O-CA 3.41Å; G342-G345 PolarHBondContact O-N 2.8Å; G345-G349 PolarHBondContact O-N 3.44Å
346V88.6Confident81.6Confident93 Ų9390.7 Ų90.756%0.56452%0.517SS*.Hα-helixtrans-63.1-45.2173.4172.60000110.3G342 L343 F348 G349 M350G342-V346 WeakPolarHBondContact O-CG2 3.49Å; G342-V346 PolarHBondContact O-N 3.17Å; L343-V346 PolarHBondContact O-N 3.45Å; V346-F348 PolarHBondContact O-N 3.5Å; V346-G349 CarbonylContact O-C 3.58Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.09Å; V346-M350 WeakPolarHBondContact O-CG 3.32Å; V346-M350 PolarHBondContact O-N 3.16Å; V346-M350 VanDerWaalsContact O-N 3.15Å
347A84.3Confident80.1Confident49 Ų4993 Ų9341%0.40553%0.53SS..Hα-helixtrans-60.2-42179.800000112.8L343 M344L343-A347 WeakPolarHBondContact O-CB 3.31Å; L343-A347 PolarHBondContact O-N 3.21Å; M344-A347 PolarHBondContact O-N 3.42Å
348F79.9Confident79Confident92 Ų92102.5 Ų102.540%0.40457%0.574SS.*Hα-helixtrans-78.2-18.2174.6-70.8-62.7000114.1M344 V346 M350 I366M344-F348 HydrophobicContact CE-CD2 4.03Å; M344-F348 HydrophobicContact CE-CE2 3.17Å; M344-F348 HydrophobicContact CE-CZ 3.48Å; M344-F348 VanDerWaalsContact CE-CZ 3.48Å; M344-F348 HydrophobicContact CG-CD2 4.14Å; M344-F348 HydrophobicContact CG-CE2 3.85Å; M344-F348 WeakPolarHBondContact O-CD2 3.24Å; M344-F348 PolarHBondContact O-N 3.11Å; M344-F348 VanDerWaalsContact O-N 3.15Å; M344-F348 HydrophobicContact SD-CE2 4.35Å; V346-F348 PolarHBondContact O-N 3.5Å; F348-M350 VanDerWaalsContact C-N 3.32Å; F348-I366 HydrophobicContact CD2-CG2 4.15Å; F348-I366 HydrophobicContact CE2-CD1 4.21Å; F348-I366 HydrophobicContact CE2-CG2 4.12Å; F348-I366 HydrophobicContact CZ-CD1 4.27Å
349G79.4Confident78.1Confident66 Ų66100.9 Ų100.968%0.6857%0.566SS**Hα-helixtrans-83.6-5.7173.200000113.9G345 V346G345-G349 PolarHBondContact O-N 3.44Å; V346-G349 CarbonylContact O-C 3.58Å; V346-G349 PolarHBondContact O-N 2.95Å; V346-G349 VanDerWaalsContact O-N 3.09Å
350M82.7Confident77.2Confident111 Ų111104.2 Ų104.255%0.54757%0.573SS.*SBendtrans-78141172.6-69.1178.574.900110.1V346 F348 L352V346-M350 WeakPolarHBondContact O-CG 3.32Å; V346-M350 PolarHBondContact O-N 3.16Å; V346-M350 VanDerWaalsContact O-N 3.15Å; F348-M350 VanDerWaalsContact C-N 3.32Å; M350-L352 HydrophobicContact CB-CD1 4.25Å; M350-L352 HydrophobicContact CB-CG 4.33Å; M350-L352 PolarHBondContact O-N 3.06Å
351N71.8Confident76.7Confident176 Ų176109.8 Ų109.894%0.94159%0.588SS**SBendtrans-72.561.9178.8-17246.2000112.1
352L70.3Confident76.4Confident125 Ų125109.3 Ų109.365%0.65459%0.589SS**  trans-112.9133.2174.5-65.6170.5000107.4M350 S354M350-L352 HydrophobicContact CB-CD1 4.25Å; M350-L352 HydrophobicContact CB-CG 4.33Å; M350-L352 PolarHBondContact O-N 3.06Å; L352-S354 PolarHBondContact O-N 2.97Å
353E61.2Low75.9Confident210 Ų210114.1 Ų114.198%0.98160%0.603SS**  trans-61.3100.5176.8-84.9178.6159.300110
354S62.2Low75.7Confident51 Ų51116.4 Ų116.436%0.35760%0.603SS.*  trans-104.5122169-161.70000107.6L352 L356 E357L352-S354 PolarHBondContact O-N 2.97Å; S354-L356 PolarHBondContact O-N 2.92Å; S354-E357 PolarHBondContact O-N 2.91Å
355S62.2Low75.8Confident126 Ų126117 Ų11788%0.88161%0.608SS**THydrogen-bonded Turntrans-67.514.917955.50000114.6
356L61.5Low75.9Confident96 Ų96117.8 Ų117.850%0.50361%0.605SS.*THydrogen-bonded Turntrans-106.23.3-179.5-71.9170.5000113.3S354S354-L356 PolarHBondContact O-N 2.92Å
357E63Low75.8Confident169 Ų169116.1 Ų116.179%0.7960%0.595SS**  trans-77.9-24.4-173.3-167.6174.2179.600114.2S354 D359S354-E357 PolarHBondContact O-N 2.91Å; E357-D359 PolarHBondContact O-N 3.06Å
358E68.9Low76.2Confident200 Ų200115.7 Ų115.794%0.93560%0.595SS**SBendtrans-76.7-13.9-168-63.9-176.5168.300115
359D74.8Confident76.7Confident82 Ų82115.9 Ų115.944%0.43960%0.6SS.*  trans-109.2114.1-175.7-167.5-10.3000113.1E357 R361 V362E357-D359 PolarHBondContact O-N 3.06Å; D359-R361 PolarHBondContact O-N 2.85Å; D359-R361 WeakPolarHBondContact OD1-CB 3.31Å; D359-R361 PolarHBondContact OD1-N 3.29Å; D359-V362 HydrophobicContact CB-CB 4.47Å; D359-V362 HydrophobicContact CB-CG2 3.87Å; D359-V362 WeakPolarHBondContact O-CB 3.35Å; D359-V362 PolarHBondContact O-N 3.07Å
360H76.8Confident77.3Confident142 Ų142114.7 Ų114.766%0.65758%0.577SS**Hα-helixtrans-54.9-26.4176.5-170.974.2000113.5W364H360-W364 AromaticContact CE1-NE1 3.81Å; H360-W364 AromaticContact NE2-CD1 3.68Å; H360-W364 AromaticContact NE2-NE1 3.35Å; H360-W364 PolarHBondContact NE2-NE1 3.4Å
361R81.9Confident77.7Confident204 Ų204117.5 Ų117.577%0.7759%0.586SS**Hα-helixtrans-72.9-32.3178.9-62.6178.7178-161.50.3112.5D359 L365D359-R361 PolarHBondContact O-N 2.85Å; D359-R361 WeakPolarHBondContact OD1-CB 3.31Å; D359-R361 PolarHBondContact OD1-N 3.29Å; R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 PolarHBondContact O-N 3.05Å; R361-L365 VanDerWaalsContact O-N 3.11Å
362V82.4Confident78.7Confident37 Ų37114.7 Ų114.722%0.22457%0.569CS.*Hα-helixtrans-70.1-37.7-177.2176.10000110.7D359 L365 I366D359-V362 HydrophobicContact CB-CB 4.47Å; D359-V362 HydrophobicContact CB-CG2 3.87Å; D359-V362 WeakPolarHBondContact O-CB 3.35Å; D359-V362 PolarHBondContact O-N 3.07Å; V362-L365 PolarHBondContact O-N 3.28Å; V362-I366 HydrophobicContact CG1-CD1 3.7Å; V362-I366 HydrophobicContact CG1-CG1 4.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.39Å
363F81.6Confident79.8Confident128 Ų128109.2 Ų109.256%0.56154%0.543SS*.Hα-helixtrans-57.6-50.7174.6176-97.9000112.8L365 I366 T367F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 2.83Å; F363-I366 PolarHBondContact O-N 2.78Å; F363-T367 WeakPolarHBondContact O-CB 3.36Å; F363-T367 PolarHBondContact O-N 3.28Å; F363-T367 PolarHBondContact O-OG1 3.47Å
364W85.3Confident81.4Confident166 Ų166100 Ų10063%0.62950%0.501SS*.Hα-helixtrans-66.2-34.7178.4-80105.5000112.5H360 G368H360-W364 AromaticContact CE1-NE1 3.81Å; H360-W364 AromaticContact NE2-CD1 3.68Å; H360-W364 AromaticContact NE2-NE1 3.35Å; H360-W364 PolarHBondContact NE2-NE1 3.4Å; W364-G368 PolarHBondContact O-N 3Å
365L87.8Confident82.9Confident107 Ų10799.5 Ų99.556%0.5650%0.504SS*.Hα-helixtrans-65.8-47.6177.1-174.9146.1000111.7R361 V362 F363 G368 I369R361-L365 WeakPolarHBondContact O-CB 3.45Å; R361-L365 PolarHBondContact O-N 3.05Å; R361-L365 VanDerWaalsContact O-N 3.11Å; V362-L365 PolarHBondContact O-N 3.28Å; F363-L365 VanDerWaalsContact C-N 3.33Å; F363-L365 PolarHBondContact O-N 2.83Å; L365-G368 PolarHBondContact O-N 2.87Å; L365-I369 HydrophobicContact CD2-CD1 3.51Å; L365-I369 HydrophobicContact CG-CD1 4.21Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.18Å; L365-I369 PolarHBondContact O-N 2.91Å
366I87Confident84.5Confident43 Ų4398.3 Ų98.322%0.22149%0.487CS..Hα-helixtrans-65.4-44.1178.4-65.8169.2000110.6F348 V362 F363 G368 I369 M370F348-I366 HydrophobicContact CD2-CG2 4.15Å; F348-I366 HydrophobicContact CE2-CD1 4.21Å; F348-I366 HydrophobicContact CE2-CG2 4.12Å; F348-I366 HydrophobicContact CZ-CD1 4.27Å; V362-I366 HydrophobicContact CG1-CD1 3.7Å; V362-I366 HydrophobicContact CG1-CG1 4.31Å; V362-I366 WeakPolarHBondContact O-CG1 3.41Å; V362-I366 PolarHBondContact O-N 3.39Å; F363-I366 PolarHBondContact O-N 2.78Å; I366-G368 VanDerWaalsContact C-N 3.33Å; I366-G368 PolarHBondContact O-N 3.15Å; I366-I369 PolarHBondContact O-N 3.37Å; I366-M370 HydrophobicContact CG2-CG 4.49Å; I366-M370 HydrophobicContact CG2-SD 4.17Å; I366-M370 WeakPolarHBondContact O-CB 3.26Å; I366-M370 WeakPolarHBondContact O-CG 3.5Å; I366-M370 PolarHBondContact O-N 3.48Å
367T87.8Confident86Confident58 Ų5896.1 Ų96.136%0.35648%0.476SS..Hα-helixtrans-60.6-43.1176.9-57.30000111.6F363 M370 F371F363-T367 WeakPolarHBondContact O-CB 3.36Å; F363-T367 PolarHBondContact O-N 3.28Å; F363-T367 PolarHBondContact O-OG1 3.47Å; T367-M370 PolarHBondContact O-N 3.28Å; T367-F371 PolarHBondContact O-N 3.06Å
368G91.2Very high87.5Confident40 Ų4092.3 Ų92.341%0.41245%0.454SS..Hα-helixtrans-62.6-45.4175.500000112.9W364 L365 I366 F371 M372W364-G368 PolarHBondContact O-N 3Å; L365-G368 PolarHBondContact O-N 2.87Å; I366-G368 VanDerWaalsContact C-N 3.33Å; I366-G368 PolarHBondContact O-N 3.15Å; G368-F371 PolarHBondContact O-N 3.35Å; G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 PolarHBondContact O-N 3.46Å
369I90.3Very high88.6Confident96 Ų9692 Ų9249%0.49245%0.445SS..Hα-helixtrans-64.5-41177.8-69.3171.2000111.2L365 I366 G373L365-I369 HydrophobicContact CD2-CD1 3.51Å; L365-I369 HydrophobicContact CG-CD1 4.21Å; L365-I369 VanDerWaalsContact O-CG1 3.3Å; L365-I369 WeakPolarHBondContact O-CG1 3.18Å; L365-I369 PolarHBondContact O-N 2.91Å; I366-I369 PolarHBondContact O-N 3.37Å; I369-G373 WeakPolarHBondContact O-CA 3.47Å; I369-G373 PolarHBondContact O-N 2.99Å
370M91.8Very high89.4Confident41 Ų4197.8 Ų97.820%0.20246%0.46CS..Hα-helixtrans-62.6-48.3177.2-80.2-179.949.700112.2F341 M344 I366 T367 S374F341-M370 HydrophobicContact CB-CB 4.48Å; F341-M370 WeakPolarHBondContact O-CE 3.34Å; M344-M370 HydrophobicContact CB-SD 4.28Å; I366-M370 HydrophobicContact CG2-CG 4.49Å; I366-M370 HydrophobicContact CG2-SD 4.17Å; I366-M370 WeakPolarHBondContact O-CB 3.26Å; I366-M370 WeakPolarHBondContact O-CG 3.5Å; I366-M370 PolarHBondContact O-N 3.48Å; T367-M370 PolarHBondContact O-N 3.28Å; M370-S374 WeakPolarHBondContact O-CB 3.3Å; M370-S374 PolarHBondContact O-N 2.98Å
371F92Very high90.1Very high171 Ų17193.5 Ų93.575%0.7544%0.442SS*.Hα-helixtrans-66.5-44.7179.9-172.2-98.3000111.5T367 G368 S374 G375T367-F371 PolarHBondContact O-N 3.06Å; G368-F371 PolarHBondContact O-N 3.35Å; F371-S374 PolarHBondContact O-N 3.11Å; F371-G375 PolarHBondContact O-N 3.48Å
372M93.8Very high90.4Very high117 Ų11786.5 Ų86.558%0.57642%0.42SS*.Hα-helixtrans-65-44.9178.3-168.7-167.274.300111.5G368 G375 L376G368-M372 WeakPolarHBondContact O-CB 3.43Å; G368-M372 PolarHBondContact O-N 3.46Å; M372-G375 PolarHBondContact O-N 2.95Å; M372-L376 HydrophobicContact CE-CD1 4.09Å; M372-L376 HydrophobicContact CG-CD1 4.14Å; M372-L376 WeakPolarHBondContact O-CB 3.45Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.34Å
373G93.2Very high90.7Very high10 Ų1087.7 Ų87.710%0.10343%0.429CS..Hα-helixtrans-59.4-47.717700000111.8F341 I369 L376 I377F341-G373 WeakPolarHBondContact CE2-O 3.22Å; F341-G373 VanDerWaalsContact CZ-CA 3.41Å; I369-G373 WeakPolarHBondContact O-CA 3.47Å; I369-G373 PolarHBondContact O-N 2.99Å; G373-L376 PolarHBondContact O-N 3.48Å; G373-I377 WeakPolarHBondContact O-CG1 3.48Å; G373-I377 PolarHBondContact O-N 3.28Å
374S94.6Very high90.9Very high15 Ų1588 Ų8811%0.10543%0.43CS..Hα-helixtrans-63.4-42.2177.5-178.50000112S337 F341 M370 F371 L376 I377 W378S337-S374 PolarHBondContact O-OG 3.38Å; S337-S374 PolarHBondContact OG-O 2.9Å; S337-S374 PolarHBondContact OG-OG 2.91Å; F341-S374 VanDerWaalsContact CD2-CA 3.43Å; F341-S374 VanDerWaalsContact CD2-N 3.28Å; F341-S374 VanDerWaalsContact CE2-N 3.25Å; M370-S374 WeakPolarHBondContact O-CB 3.3Å; M370-S374 PolarHBondContact O-N 2.98Å; F371-S374 PolarHBondContact O-N 3.11Å; S374-L376 PolarHBondContact O-N 2.93Å; S374-I377 PolarHBondContact O-N 3.43Å; S374-W378 WeakPolarHBondContact O-CB 3.26Å; S374-W378 PolarHBondContact O-N 3.45Å
375G94.1Very high90.7Very high41 Ų4181.2 Ų81.242%0.42341%0.406SS..Hα-helixtrans-62.5-39.7175.500000113.2F371 M372 R379F371-G375 PolarHBondContact O-N 3.48Å; M372-G375 PolarHBondContact O-N 2.95Å; G375-R379 VanDerWaalsContact O-CB 3.26Å; G375-R379 WeakPolarHBondContact O-CB 3.34Å; G375-R379 PolarHBondContact O-N 3.3Å
376L94.3Very high90.1Very high101 Ų10177.4 Ų77.453%0.52939%0.393SS..Hα-helixtrans-68.7-43.1178.9-73.2172.7000112.4M372 G373 S374 R379 R380M372-L376 HydrophobicContact CE-CD1 4.09Å; M372-L376 HydrophobicContact CG-CD1 4.14Å; M372-L376 WeakPolarHBondContact O-CB 3.45Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.43Å; M372-L376 PolarHBondContact O-N 3.34Å; G373-L376 PolarHBondContact O-N 3.48Å; S374-L376 PolarHBondContact O-N 2.93Å; L376-R379 PolarHBondContact O-N 3.25Å; L376-R380 WeakPolarHBondContact O-CB 3.32Å; L376-R380 PolarHBondContact O-N 3.12Å
377I93.5Very high89.6Confident50 Ų5084.9 Ų84.926%0.25642%0.419SS..Hα-helixtrans-65.4-46.3176.6-67.4-171.5000110.3S337 L340 F341 G373 S374 R379 R380 L381S337-I377 WeakPolarHBondContact OG-CB 3.2Å; L340-I377 HydrophobicContact CD2-CD1 3.76Å; F341-I377 HydrophobicContact CD2-CD1 4.43Å; F341-I377 HydrophobicContact CE2-CB 4.47Å; F341-I377 HydrophobicContact CE2-CD1 3.35Å; F341-I377 HydrophobicContact CE2-CG1 3.91Å; F341-I377 HydrophobicContact CZ-CD1 3.8Å; F341-I377 HydrophobicContact CZ-CG1 4.41Å; G373-I377 WeakPolarHBondContact O-CG1 3.48Å; G373-I377 PolarHBondContact O-N 3.28Å; S374-I377 PolarHBondContact O-N 3.43Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-R379 PolarHBondContact O-N 3.42Å; I377-R380 PolarHBondContact O-N 3.33Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å; I377-L381 PolarHBondContact O-N 3.42Å
378W94Very high88.4Confident90 Ų9088.4 Ų88.434%0.34143%0.431SS..Hα-helixtrans-54.2-51.4173.9-178.4-62.3000111.1Q330 G334 S337 S374 R380 L381 L382Q330-W378 WeakPolarHBondContact O-CZ2 3.45Å; G334-W378 VanDerWaalsContact C-CZ3 3.48Å; S337-W378 PolarHBondContact OG-N 3.41Å; S374-W378 WeakPolarHBondContact O-CB 3.26Å; S374-W378 PolarHBondContact O-N 3.45Å; W378-R380 VanDerWaalsContact C-N 3.31Å; W378-R380 PolarHBondContact O-N 3.02Å; W378-L381 PolarHBondContact O-N 2.94Å; W378-L382 VanDerWaalsContact CD1-CD1 3.46Å; W378-L382 VanDerWaalsContact NE1-CG 3.35Å; W378-L382 PolarHBondContact O-N 3.28Å
379R92.1Very high86.8Confident194 Ų19490.1 Ų90.173%0.73243%0.43SS*.Hα-helixtrans-61.9-38.7-179-175.9175.4175.4135.1-0.6112G375 L376 I377 S383G375-R379 VanDerWaalsContact O-CB 3.26Å; G375-R379 WeakPolarHBondContact O-CB 3.34Å; G375-R379 PolarHBondContact O-N 3.3Å; L376-R379 PolarHBondContact O-N 3.25Å; I377-R379 VanDerWaalsContact C-N 3.35Å; I377-R379 PolarHBondContact O-N 3.42Å; R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 2.91Å
380R92.1Very high85Confident203 Ų20393.2 Ų93.277%0.76644%0.443SS*.Hα-helixtrans-66.1-42.7176.6-171.5173.3-177.6160.5-0111.5L376 I377 W378 S383 F384L376-R380 WeakPolarHBondContact O-CB 3.32Å; L376-R380 PolarHBondContact O-N 3.12Å; I377-R380 PolarHBondContact O-N 3.33Å; W378-R380 VanDerWaalsContact C-N 3.31Å; W378-R380 PolarHBondContact O-N 3.02Å; R380-S383 PolarHBondContact O-N 2.99Å; R380-F384 WeakPolarHBondContact O-CB 3.39Å; R380-F384 PolarHBondContact O-N 3.01Å
381L90.7Very high82.4Confident51 Ų5195.1 Ų95.127%0.26747%0.465SS..Hα-helixtrans-64.4-43.7176.2-69.8172000111.8M333 F336 I377 W378 F384 L385M333-L381 HydrophobicContact CB-CB 4.26Å; M333-L381 HydrophobicContact CB-CD1 4.15Å; M333-L381 HydrophobicContact CG-CB 4.34Å; M333-L381 HydrophobicContact SD-CB 4.13Å; F336-L381 HydrophobicContact CD1-CD1 4.07Å; I377-L381 HydrophobicContact CG2-CD1 3.87Å; I377-L381 HydrophobicContact CG2-CG 4.32Å; I377-L381 VanDerWaalsContact O-CG 3.32Å; I377-L381 WeakPolarHBondContact O-CG 3.42Å; I377-L381 PolarHBondContact O-N 3.42Å; W378-L381 PolarHBondContact O-N 2.94Å; L381-F384 PolarHBondContact O-N 3.48Å; L381-L385 PolarHBondContact O-N 2.95Å
382L89.4Confident80Confident58 Ų5892.8 Ų92.830%0.30447%0.467SS..Hα-helixtrans-61.8-44.2174.1-76-171.7000112.6Q330 W378 F384 L385 G386Q330-L382 HydrophobicContact CB-CD2 4.25Å; Q330-L382 HydrophobicContact CG-CD2 3.71Å; W378-L382 VanDerWaalsContact CD1-CD1 3.46Å; W378-L382 VanDerWaalsContact NE1-CG 3.35Å; W378-L382 PolarHBondContact O-N 3.28Å; L382-F384 VanDerWaalsContact C-N 3.27Å; L382-F384 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 2.89Å; L382-G386 PolarHBondContact O-N 3.04Å
383S87.6Confident77.7Confident61 Ų6194.8 Ų94.843%0.42748%0.479SS..Hα-helixtrans-65.1-33.6178.6-179.70000112.2R379 R380 R387R379-S383 WeakPolarHBondContact O-CB 3.41Å; R379-S383 PolarHBondContact O-N 2.91Å; R380-S383 PolarHBondContact O-N 2.99Å; S383-R387 WeakPolarHBondContact O-CG 3.33Å; S383-R387 PolarHBondContact O-N 3.45Å
384F85.9Confident75.3Confident134 Ų13499.4 Ų99.459%0.58851%0.507SS*.Hα-helixtrans-67.5-42.3174.9-178.5-100.9000111.1R380 L381 L382 Q388R380-F384 WeakPolarHBondContact O-CB 3.39Å; R380-F384 PolarHBondContact O-N 3.01Å; L381-F384 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact C-N 3.27Å; L382-F384 PolarHBondContact O-N 2.95Å; F384-Q388 HydrophobicContact CE1-CG 4.48Å; F384-Q388 HydrophobicContact CZ-CG 4.44Å; F384-Q388 WeakPolarHBondContact O-CG 3.45Å; F384-Q388 PolarHBondContact O-N 3.49Å
385L81.3Confident72.7Confident24 Ų24104.3 Ų104.313%0.12654%0.539CS..Hα-helixtrans-66.4-42.6177.3-164.467.3000112.5M333 L381 L382 R387 Q388 L389M333-L385 HydrophobicContact CE-CB 4.17Å; M333-L385 HydrophobicContact CE-CD1 3.74Å; M333-L385 HydrophobicContact CE-CD2 3.8Å; M333-L385 HydrophobicContact CE-CG 4.1Å; M333-L385 HydrophobicContact SD-CB 4.43Å; M333-L385 HydrophobicContact SD-CD2 4.09Å; L381-L385 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 2.89Å; L385-R387 VanDerWaalsContact C-N 3.35Å; L385-R387 PolarHBondContact O-N 2.69Å; L385-Q388 PolarHBondContact O-N 2.8Å; L385-L389 HydrophobicContact CD1-CD1 4.12Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 PolarHBondContact O-N 3.01Å
386G75.1Confident70.2Confident27 Ų27111.4 Ų111.428%0.27856%0.563SS.*Hα-helixtrans-58.6-44.9177.700000112.1L382 Q388 L389 E390L382-G386 PolarHBondContact O-N 3.04Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.99Å; G386-L389 PolarHBondContact O-N 3.26Å; G386-E390 PolarHBondContact O-N 2.92Å
387R76.3Confident67.4Low201 Ų201115.3 Ų115.376%0.75858%0.581SS**Hα-helixtrans-64.6-27.4177.9-71.8178-177.9-172.80.4114.2S383 L385S383-R387 WeakPolarHBondContact O-CG 3.33Å; S383-R387 PolarHBondContact O-N 3.45Å; L385-R387 VanDerWaalsContact C-N 3.35Å; L385-R387 PolarHBondContact O-N 2.69Å
388Q62.8Low64.6Low132 Ų132117.1 Ų117.162%0.61760%0.603SS**Hα-helixtrans-89.4-24-178.7-70.3-71.2-17.300113.1F384 L385 G386F384-Q388 HydrophobicContact CE1-CG 4.48Å; F384-Q388 HydrophobicContact CZ-CG 4.44Å; F384-Q388 WeakPolarHBondContact O-CG 3.45Å; F384-Q388 PolarHBondContact O-N 3.49Å; L385-Q388 PolarHBondContact O-N 2.8Å; G386-Q388 VanDerWaalsContact C-N 3.27Å; G386-Q388 PolarHBondContact O-N 2.99Å
389L59Low61.9Low75 Ų75118 Ų11839%0.39362%0.624SS.*Hα-helixtrans-92.6-13.3178.3-10890.2000114.5L385 G386 A391L385-L389 HydrophobicContact CD1-CD1 4.12Å; L385-L389 HydrophobicContact CG-CD1 4.35Å; L385-L389 PolarHBondContact O-N 3.01Å; G386-L389 PolarHBondContact O-N 3.26Å; L389-A391 PolarHBondContact O-N 2.92Å; L389-A391 VanDerWaalsContact O-N 3.12Å
390E50.7Low59.4Low161 Ų161115.6 Ų115.675%0.75262%0.624SS**  trans-74.611.4-178.1-135.475.9-150.800114.6G386G386-E390 PolarHBondContact O-N 2.92Å
391A37.1Very low56.6Low81 Ų81110.9 Ų110.967%0.66962%0.62SS**SBendtrans-135.3132.4176.600000111.7L389L389-A391 PolarHBondContact O-N 2.92Å; L389-A391 VanDerWaalsContact O-N 3.12Å
392P42.2Very low54.3Low122 Ų122117.8 Ų117.879%0.79265%0.648SS**  cis-107.2131-39.431.7-17000110.7
393L45.8Very low52.2Low159 Ų159124.3 Ų124.383%0.83267%0.674SS**PPolyproline II helixtrans-77.6129158.8-92.4139.1000107.7
394P42.8Very low49.7Very low108 Ų108126.9 Ų126.970%0.70169%0.687SS**PPolyproline II helixtrans-60150.5169.626.3-30.9000109.2M396P394-M396 PolarHBondContact O-N 3.24Å
395P40.4Very low47.5Very low118 Ų118127.9 Ų127.977%0.76670%0.698SS**PPolyproline II helixtrans-57.6132.1-173.824.7-32.8000109.7M397P395-M397 PolarHBondContact O-N 3.04Å
396M40.6Very low45.8Very low190 Ų190134.6 Ų134.694%0.93673%0.733SS**  trans-39.2103.9164.6-170.2-177.4-158.800108.6P394 A398P394-M396 PolarHBondContact O-N 3.24Å; M396-A398 PolarHBondContact O-N 3.3Å; M396-A398 VanDerWaalsContact O-N 3.17Å
397M35.8Very low44.1Very low183 Ų183136.7 Ų136.790%0.90175%0.747SS**  trans-59.9126.4173.5-79.9-130.4-124.700107.1P395 S399P395-M397 PolarHBondContact O-N 3.04Å; M397-S399 PolarHBondContact O-N 3.06Å
398A34.6Very low42.1Very low87 Ų87131.9 Ų131.972%0.71974%0.737SS**  trans-44.1138.5-178.800000110.5M396 L400M396-A398 PolarHBondContact O-N 3.3Å; M396-A398 VanDerWaalsContact O-N 3.17Å; A398-L400 PolarHBondContact O-N 3.2Å; A398-L400 VanDerWaalsContact O-N 3.13Å
399S38Very low41.1Very low110 Ų110135.1 Ų135.177%0.76974%0.743SS**  trans-33.1121.415750.10000110.3M397M397-S399 PolarHBondContact O-N 3.06Å
400L38.7Very low40Very low142 Ų142141.7 Ų141.774%0.74376%0.763SS**  trans-36.1127165.1-132.8141.3000109.5A398 K402A398-L400 PolarHBondContact O-N 3.2Å; A398-L400 VanDerWaalsContact O-N 3.13Å; L400-K402 PolarHBondContact O-N 3.4Å
401P34Very low39.6Very low105 Ų105140.6 Ų140.668%0.68276%0.759SS**  trans-65.3105169.426.4-28000106.8K403P401-K403 PolarHBondContact O-N 3.42Å
402K42.3Very low39.6Very low196 Ų196142.8 Ų142.885%0.85276%0.756SS**  trans-56.3121163.1-100.8177.4175.1173.80107.7L400L400-K402 PolarHBondContact O-N 3.4Å
403K44.7Very low39.6Very low195 Ų195141 Ų14185%0.84874%0.742SS**SBendtrans65.797.5162.3-65.6177.1171179.80116.5P401P401-K403 PolarHBondContact O-N 3.42Å
404T36.1Very low39.2Very low114 Ų114141.5 Ų141.570%0.69974%0.738SS**SBendtrans-153.37.1149.28.70000116.8
405L39.5Very low39Very low156 Ų156142.4 Ų142.482%0.81774%0.737SS**SBendtrans-101.3-20.1179.5-125.4160000114.6
406L45.1Very low38.6Very low165 Ų165141 Ų14186%0.86473%0.73SS**THydrogen-bonded Turntrans-88.4-10.4176.8-90.7169.7000114.8
407A38.8Very low38.6Very low70 Ų70139 Ų13958%0.57972%0.722SS**THydrogen-bonded Turntrans-90.5-31177.500000112.5R410 M411A407-R410 PolarHBondContact O-N 2.83Å; A407-M411 PolarHBondContact O-N 2.91Å
408D34.1Very low38.8Very low100 Ų100141.4 Ų141.454%0.53572%0.721SS.*Hα-helixtrans-71.2-42.7-175.6-149.937.4000111.4R410 M411 E412D408-R410 PolarHBondContact O-N 3.38Å; D408-M411 PolarHBondContact O-N 3.23Å; D408-M411 VanDerWaalsContact O-N 3.12Å; D408-E412 PolarHBondContact O-N 2.97Å
409R42.1Very low39.1Very low201 Ų201141.1 Ų141.176%0.75872%0.719SS**Hα-helixtrans-64.8-23.9175.7-146.4176.4-169.7-177.92.3113.4V413R409-V413 VanDerWaalsContact O-CG2 3.23Å; R409-V413 WeakPolarHBondContact O-CG2 3.43Å; R409-V413 PolarHBondContact O-N 3.44Å
410R37.1Very low38.9Very low212 Ų212145.6 Ų145.680%0.873%0.728SS**Hα-helixtrans-84.7-23.2177.2-149.9-179.3-156-158.36.6112.9A407 D408A407-R410 PolarHBondContact O-N 2.83Å; D408-R410 PolarHBondContact O-N 3.38Å
411M42.3Very low38.5Very low139 Ų139142 Ų14269%0.68573%0.725SS**Hα-helixtrans-83.3-38174.2-112177.8-178.600111.5A407 D408 K414 N415A407-M411 PolarHBondContact O-N 2.91Å; D408-M411 PolarHBondContact O-N 3.23Å; D408-M411 VanDerWaalsContact O-N 3.12Å; M411-K414 PolarHBondContact O-N 3.28Å; M411-N415 PolarHBondContact O-N 2.99Å
412E36.6Very low38.5Very low127 Ų127144.7 Ų144.759%0.59373%0.733SS**Hα-helixtrans-67.8-40.3177.3-75.6-171.914100112.9D408 K414 N415 S416D408-E412 PolarHBondContact O-N 2.97Å; E412-K414 PolarHBondContact O-N 3.26Å; E412-N415 PolarHBondContact O-N 3.38Å; E412-S416 PolarHBondContact O-N 3.3Å; E412-S416 VanDerWaalsContact O-N 3.08Å; E412-S416 PolarHBondContact O-OG 3.41Å
413V42.9Very low38.2Very low84 Ų84139.1 Ų139.151%0.50973%0.732SS.*Hα-helixtrans-66.3-24.8176.2172.30000112.5R409 S416R409-V413 VanDerWaalsContact O-CG2 3.23Å; R409-V413 WeakPolarHBondContact O-CG2 3.43Å; R409-V413 PolarHBondContact O-N 3.44Å; V413-S416 PolarHBondContact O-OG 3.38Å
414K36.6Very low37.7Very low169 Ų169135.5 Ų135.574%0.73573%0.726SS**Hα-helixtrans-84.7-23.6178.6-157.3172.2-177.8-179.40112.9M411 E412M411-K414 PolarHBondContact O-N 3.28Å; E412-K414 PolarHBondContact O-N 3.26Å
415N37.8Very low37.6Very low127 Ų127135.5 Ų135.568%0.67973%0.73SS**Hα-helixtrans-89.3-26.1178-76.2-9.6000112.8M411 E412M411-N415 PolarHBondContact O-N 2.99Å; E412-N415 PolarHBondContact O-N 3.38Å
416S33.3Very low37.4Very low90 Ų90139.9 Ų139.963%0.62974%0.736SS**Hα-helixtrans-75.6-20.4174.158.30000113.9E412 V413E412-S416 PolarHBondContact O-N 3.3Å; E412-S416 VanDerWaalsContact O-N 3.08Å; E412-S416 PolarHBondContact O-OG 3.41Å; V413-S416 PolarHBondContact O-OG 3.38Å
417L40Very low36.9Very low147 Ų147138.2 Ų138.277%0.7773%0.733SS**THydrogen-bonded Turntrans-86.93.8179.9-103.9152.5000114.9
418R39.8Very low36.7Very low233 Ų233140.8 Ų140.888%0.87974%0.741SS**SBendtrans-126.89.8-174.6-143.3-176.5-178.4174.11.1116.4
419A42Very low36.8Very low82 Ų82143.8 Ų143.868%0.67876%0.756SS**SBendtrans-137.479.2177.700000110.9
420E33Very low36.4Very low204 Ų204138.2 Ų138.295%0.95375%0.753SS**  178.5134.7129.8-97.7-170.6177.300110.8
421G31.1Very low36.1Very low67 Ų67133.9 Ų133.969%0.69176%0.756SS**  trans123.979.2169.800000115.8
422L34Very low35.7Very low160 Ų160142.4 Ų142.484%0.83878%0.78SS**  177.6103.4108.7-114.286.4000109.7
423G35.9Very low35.7Very low80 Ų80143.2 Ų143.283%0.82579%0.79SS**  trans-77.6127.4148.500000108.4
424T33.8Very low35.3Very low119 Ų119146.3 Ų146.373%0.7380%0.804SS**  trans-149.3122.5154.9-26.70000110
425S34.9Very low35.2Very low113 Ų113145.1 Ų145.179%0.7981%0.808SS**  trans-42.7140.6174.1-58.20000114.6
426R33.4Very low35.1Very low249 Ų249146.1 Ų146.194%0.9482%0.816SS**  trans-165.7111.4132.2-113.1171.7158.4145-2.9112
427T35.2Very low35.2Very low130 Ų130149.6 Ų149.680%0.79883%0.827SS**  trans-78153.6162.410.20000110.5
428V34Very low34.9Very low123 Ų123149.8 Ų149.875%0.74583%0.831SS**  trans113.5119.8148.8-170.60000118.1
429L36.2Very low34.5Very low163 Ų163143.9 Ų143.985%0.85383%0.828SS**  trans91.4112.9148.2-85.2160.3000122.3
430A34.8Very low33.9Very low85 Ų85148.6 Ų148.670%0.70284%0.839SS**  120.4136.5121.300000119
431S31.3Very low34Very low121 Ų121144 Ų14485%0.84683%0.83SS**  trans73.9118.8-172.784.10000114
432R33.3Very low34.3Very low318 Ų318151 Ų151100%1.284%0.842SS**  cis-157.8023.2-146.7-179.7-165.5175.93.5109.5

Retrieved 432 of 432 residues in 75.6 ms (Link to these results)