A0A087Y052_POEFO Loading...

Cyclin Dx

Essential for the control of the cell cycle at the G2/M (mitosis) transition.

AlphaFold DB , UniProt , Accession A0A087Y052, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1L39.9Very low40.4Very low218 Ų218159.7 Ų159.7100%1.14185%0.852SS**  0111.30-67.7166.8000106.6
2P42.5Very low40Very low132 Ų132160.8 Ų160.886%0.85785%0.848SS**  trans-74.6125.5175.730.6-28.8000108.2S4P2-S4 PolarHBondContact O-N 3.28Å
3V41.4Very low40.2Very low128 Ų128160.5 Ų160.578%0.77685%0.848SS**  trans-74114.9172.41780000106.5L5V3-L5 PolarHBondContact O-N 3.35Å
4S41.2Very low40.1Very low93 Ų93161.1 Ų161.165%0.6584%0.844SS**  trans-65116.9170-173.10000107.9P2 W6P2-S4 PolarHBondContact O-N 3.28Å; S4-W6 VanDerWaalsContact C-N 3.3Å
5L46.3Very low40.1Very low163 Ų163155.7 Ų155.785%0.85384%0.843SS**  trans-102.235.1-178.2-129.8152.4000109.9V3V3-L5 PolarHBondContact O-N 3.35Å
6W36.8Very low39.9Very low219 Ų219155.9 Ų155.983%0.8384%0.837SS**  trans-104.3119.2178.7-6494000107.6S4 E8S4-W6 VanDerWaalsContact C-N 3.3Å; W6-E8 PolarHBondContact O-N 3.21Å
7C41Very low39.8Very low129 Ų129153.2 Ų153.287%0.87283%0.829SS**  trans-60.4116.7161-72.90000106.8E9C7-E9 PolarHBondContact O-N 2.89Å; C7-E9 VanDerWaalsContact O-N 3.1Å
8E35.5Very low39.9Very low192 Ų192155.7 Ų155.790%0.89784%0.835SS**  trans-63.1109.2167.7-86.7177.5150.600107.8W6 S10W6-E8 PolarHBondContact O-N 3.21Å; E8-S10 PolarHBondContact O-N 3.21Å
9E39.7Very low40Very low183 Ų183155.8 Ų155.886%0.85584%0.835SS**  trans-70.4106.3161-71.9176.9167.600106.8C7 E11C7-E9 PolarHBondContact O-N 2.89Å; C7-E9 VanDerWaalsContact O-N 3.1Å; E9-E11 PolarHBondContact O-N 3.05Å
10S39.3Very low40.5Very low105 Ų105152 Ų15273%0.73482%0.821SS**  trans-72.2106.5169.151.80000108.4E8 E12E8-S10 PolarHBondContact O-N 3.21Å; S10-E12 VanDerWaalsContact C-N 3.26Å; S10-E12 PolarHBondContact O-N 3.1Å
11E40.6Very low41.3Very low195 Ų195151.8 Ų151.891%0.91182%0.818SS**  trans-66.883.6168.8-68.7-177.1161.500109.8E9E9-E11 PolarHBondContact O-N 3.05Å
12E36Very low42.2Very low172 Ų172148.7 Ų148.780%0.80480%0.802SS**  trans-107.978.4155.8-75.3-17217000108S10 Q14S10-E12 VanDerWaalsContact C-N 3.26Å; S10-E12 PolarHBondContact O-N 3.1Å; E12-Q14 PolarHBondContact O-N 3.35Å
13D42.2Very low43.3Very low158 Ų158150.4 Ų150.485%0.84579%0.792SS**  trans-69.593168.3-170.225.1000108.8
14Q38.3Very low44.5Very low168 Ų168148.8 Ų148.879%0.78579%0.791SS**  trans-123.5111.7158.5-68.9-171.131.600107.3E12 E16E12-Q14 PolarHBondContact O-N 3.35Å; Q14-E16 PolarHBondContact O-N 2.66Å
15G41.3Very low45.7Very low81 Ų81155.6 Ų155.684%0.83580%0.803SS**  trans-50.7105.3-171.300000113.9
16E37Very low46.8Very low158 Ų158153.6 Ų153.674%0.73878%0.784SS**  trans-102.2150.5161.7-75.6-164.7160.800109.5Q14Q14-E16 PolarHBondContact O-N 2.66Å
17P37.7Very low48.4Very low110 Ų110146.8 Ų146.871%0.71476%0.764SS**  trans-61.3142-176.513.6-13.7000111.4D19P17-D19 PolarHBondContact O-N 3.05Å
18Q41.3Very low49.6Very low198 Ų198145.2 Ų145.293%0.92575%0.752SS**THydrogen-bonded Turntrans-66.226.7-172.3-72.5179.3-41.700116.3
19D41.9Very low51.2Low158 Ų158140 Ų14085%0.84574%0.737SS**THydrogen-bonded Turntrans-110.212.4177.5-82.6-18000113P17 I21P17-D19 PolarHBondContact O-N 3.05Å; D19-I21 PolarHBondContact O-N 2.68Å
20S50.5Low52.6Low80 Ų80135.3 Ų135.356%0.55972%0.72SS**  trans-77.6106175.4560000110.3L22S20-L22 PolarHBondContact O-N 3.18Å
21I57.4Low54.1Low148 Ų148132 Ų13276%0.75970%0.697SS**  trans-48.2114.6168.6-62.7168.5000107.8D19 R23D19-I21 PolarHBondContact O-N 2.68Å; I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 2.8Å
22L58Low55.9Low152 Ų152123.7 Ų123.780%0.79666%0.664SS**  trans-68.384.5179.6-70.8170.8000109.5S20S20-L22 PolarHBondContact O-N 3.18Å
23R65.4Low58.3Low169 Ų169120.3 Ų120.364%0.63865%0.648SS**PPolyproline II helixtrans-98.9132.6175.6-157.3171.7-160.915511.5109.8I21 R25 D80I21-R23 VanDerWaalsContact C-N 3.27Å; I21-R23 PolarHBondContact O-N 2.8Å; R23-R25 PolarHBondContact O-N 3.23Å; R23-D80 IonicContact CZ-OD2 2.75Å; R23-D80 IonicContact NH1-OD2 3.56Å; R23-D80 PolarHBondContact NH1-OD2 3.19Å; R23-D80 VanDerWaalsContact NH2-CG 3.31Å; R23-D80 IonicContact NH2-OD1 2.94Å; R23-D80 PolarHBondContact NH2-OD1 3.1Å; R23-D80 VanDerWaalsContact NH2-OD1 3.17Å; R23-D80 IonicContact NH2-OD2 3.23Å; R23-D80 PolarHBondContact NH2-OD2 3.23Å
24A66.9Low60.6Low93 Ų93120.2 Ų120.277%0.76964%0.636SS**PPolyproline II helixtrans-55.6133.9170.600000109.6
25R66.4Low63.1Low236 Ų236113.3 Ų113.389%0.89161%0.605SS**PPolyproline II helixtrans-60.3142.8175.9-171.7175.2179.9176.31.9109.4R23 D27R23-R25 PolarHBondContact O-N 3.23Å; R25-D27 PolarHBondContact O-N 3.02Å
26W69.2Low65.6Low121 Ų121109.5 Ų109.546%0.45857%0.565SS.*PPolyproline II helixtrans-53.3124.2174.3-176.5-97.9000110.7P28 P168 H169W26-P28 WeakPolarHBondContact O-CD 3.21Å; W26-P168 HydrophobicContact CE3-CB 4.28Å; W26-P168 HydrophobicContact CH2-CB 3.42Å; W26-P168 VanDerWaalsContact CH2-CB 3.42Å; W26-P168 HydrophobicContact CH2-CG 3.55Å; W26-P168 HydrophobicContact CZ2-CB 4.11Å; W26-P168 HydrophobicContact CZ3-CB 3.52Å; W26-P168 HydrophobicContact CZ3-CG 3.58Å; W26-H169 AromaticContact CH2-CE1 3.37Å; W26-H169 WeakPolarHBondContact CH2-CE1 3.47Å; W26-H169 AromaticContact CH2-ND1 3.58Å; W26-H169 AromaticContact CZ2-CE1 3.6Å; W26-H169 AromaticContact CZ2-ND1 3.51Å
27D71.2Confident68.3Low77 Ų77106.4 Ų106.441%0.41255%0.551SS.*  trans-92.4109.8177.5-174.6-15.1000109.8R25 S29 V30R25-D27 PolarHBondContact O-N 3.02Å; D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 WeakPolarHBondContact OD1-CA 3.45Å; D27-S29 WeakPolarHBondContact OD1-CB 3.33Å; D27-S29 PolarHBondContact OD1-N 2.93Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; D27-S29 VanDerWaalsContact OD2-OG 3.05Å; D27-V30 HydrophobicContact CB-CB 4.3Å; D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 3.39Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å
28P66.1Low70.9Confident96 Ų96109 Ų10962%0.62355%0.546SS*.G310 helixtrans-61.3-26.7178.9-20.333.7000112.7W26 V30 S31W26-P28 WeakPolarHBondContact O-CD 3.21Å; P28-V30 PolarHBondContact O-N 3.23Å; P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.26Å
29S69.4Low73.5Confident82 Ų82100.7 Ų100.757%0.57351%0.508SS*.G310 helixtrans-71.5-17.9178.580.70000113.4D27D27-S29 PolarHBondContact O-N 3.35Å; D27-S29 WeakPolarHBondContact OD1-CA 3.45Å; D27-S29 WeakPolarHBondContact OD1-CB 3.33Å; D27-S29 PolarHBondContact OD1-N 2.93Å; D27-S29 PolarHBondContact OD1-OG 2.89Å; D27-S29 PolarHBondContact OD2-OG 3.4Å; D27-S29 VanDerWaalsContact OD2-OG 3.05Å
30V68.6Low76.1Confident84 Ų8494.1 Ų94.151%0.50947%0.473SS..G310 helixtrans-105.123.3175.1-1640000110.7D27 P28 V35 H169D27-V30 HydrophobicContact CB-CB 4.3Å; D27-V30 HydrophobicContact CB-CG2 4.02Å; D27-V30 PolarHBondContact O-N 3.39Å; D27-V30 WeakPolarHBondContact OD2-CG2 3.48Å; P28-V30 PolarHBondContact O-N 3.23Å; V30-V35 WeakPolarHBondContact O-CG2 3.43Å; V30-H169 PolarHBondContact O-CE1 3.26Å
31S71.3Confident78.1Confident36 Ų3697.9 Ų97.925%0.25248%0.482SS..  trans-118.9168174.974.40000112.8P28P28-S31 PolarHBondContact O-N 3.26Å; P28-S31 PolarHBondContact O-OG 3.26Å
32G77.6Confident79.9Confident21 Ų2194.1 Ų94.122%0.21646%0.463CS..SBendtrans101.5-174171.200000114.9R34 V35 I36G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.49Å; G32-R34 VanDerWaalsContact O-N 3.1Å; G32-V35 PolarHBondContact O-N 2.89Å; G32-I36 PolarHBondContact O-N 3.18Å
33H86.1Confident81.6Confident100 Ų10087.7 Ų87.746%0.46343%0.429SS..Hα-helixtrans-55.4-35.5-167.7-167.874.4000114.1V35 I36 Q37H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.95Å; H33-I36 PolarHBondContact O-N 3.01Å; H33-Q37 PolarHBondContact CD2-NE2 3.28Å; H33-Q37 PolarHBondContact NE2-NE2 3.43Å; H33-Q37 WeakPolarHBondContact O-CG 3.42Å; H33-Q37 PolarHBondContact O-N 3.27Å
34R90.2Very high82.8Confident156 Ų15682.1 Ų82.159%0.58942%0.424SS*.Hα-helixtrans-62.1-37.4177.5-176.1178.967.6179.9-1.8112.6G32 R38G32-R34 VanDerWaalsContact C-N 3.25Å; G32-R34 PolarHBondContact O-N 3.49Å; G32-R34 VanDerWaalsContact O-N 3.1Å; R34-R38 WeakPolarHBondContact O-CG 3.24Å; R34-R38 PolarHBondContact O-N 2.9Å
35V91.2Very high83.9Confident24 Ų2485.5 Ų85.515%0.14542%0.417CS..Hα-helixtrans-75-43.7-180-179.30000109.8V30 G32 H33 Q37 R38 L39 H169V30-V35 WeakPolarHBondContact O-CG2 3.43Å; G32-V35 PolarHBondContact O-N 2.89Å; H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 PolarHBondContact O-N 2.95Å; V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.82Å; V35-R38 WeakPolarHBondContact O-CB 3.34Å; V35-R38 PolarHBondContact O-N 3.25Å; V35-L39 HydrophobicContact CG1-CD1 4.26Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.15Å; V35-H169 VanDerWaalsContact CG1-NE2 3.34Å; V35-H169 WeakPolarHBondContact CG1-NE2 3.34Å
36I93.4Very high85Confident0 Ų075.2 Ų75.20%038%0.378CS..Hα-helixtrans-53.2-49.9172.4-63.1172.7000110.5G32 H33 R38 L39 L40 F166 H169 F170 L241G32-I36 PolarHBondContact O-N 3.18Å; H33-I36 PolarHBondContact O-N 3.01Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.21Å; I36-L39 PolarHBondContact O-N 3.43Å; I36-L39 VanDerWaalsContact O-N 3.12Å; I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.3Å; I36-F166 HydrophobicContact CG2-CE1 4.44Å; I36-H169 HydrophobicContact CD1-CB 3.85Å; I36-H169 HydrophobicContact CG1-CB 3.65Å; I36-F170 HydrophobicContact CD1-CD1 4.04Å; I36-F170 HydrophobicContact CD1-CE1 4.09Å; I36-F170 HydrophobicContact CG1-CE1 4.4Å; I36-F170 HydrophobicContact CG2-CE1 4.1Å; I36-L241 HydrophobicContact CD1-CD2 3.83Å; I36-L241 VanDerWaalsContact CG2-O 3.25Å; I36-L241 WeakPolarHBondContact CG2-O 3.29Å
37Q93.7Very high85.9Confident93 Ų9372.5 Ų72.544%0.43537%0.372SS..Hα-helixtrans-57.8-37.2177.3-75-178.8-14.800113.5H33 V35 H41H33-Q37 PolarHBondContact CD2-NE2 3.28Å; H33-Q37 PolarHBondContact NE2-NE2 3.43Å; H33-Q37 WeakPolarHBondContact O-CG 3.42Å; H33-Q37 PolarHBondContact O-N 3.27Å; V35-Q37 VanDerWaalsContact C-N 3.32Å; V35-Q37 PolarHBondContact O-N 2.82Å; Q37-H41 PolarHBondContact O-N 2.92Å; Q37-H41 VanDerWaalsContact O-N 3.09Å
38R93.9Very high86.6Confident164 Ų16469.9 Ų69.962%0.61936%0.359SS*.Hα-helixtrans-69.4-43.3175.5-74.5179.9177.3-172.1-1.2111.7R34 V35 I36 L40 H41 L42R34-R38 WeakPolarHBondContact O-CG 3.24Å; R34-R38 PolarHBondContact O-N 2.9Å; V35-R38 WeakPolarHBondContact O-CB 3.34Å; V35-R38 PolarHBondContact O-N 3.25Å; I36-R38 VanDerWaalsContact C-N 3.28Å; I36-R38 PolarHBondContact O-N 3.21Å; R38-L40 VanDerWaalsContact C-N 3.35Å; R38-H41 PolarHBondContact O-N 3.21Å; R38-L42 WeakPolarHBondContact O-CG 3.4Å; R38-L42 PolarHBondContact O-N 3.44Å
39L95.4Very high87.5Confident24 Ų2467.6 Ų67.613%0.12635%0.345CS..Hα-helixtrans-61-44.5176.4-66.8175000110.8V35 I36 H41 L42 E43 V161 D165 F166V35-L39 HydrophobicContact CG1-CD1 4.26Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 3.15Å; I36-L39 PolarHBondContact O-N 3.43Å; I36-L39 VanDerWaalsContact O-N 3.12Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 2.78Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-L42 VanDerWaalsContact O-N 3.1Å; L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 PolarHBondContact O-N 3.1Å; L39-V161 HydrophobicContact CB-CG1 4.42Å; L39-V161 HydrophobicContact CD2-CG1 4.2Å; L39-V161 HydrophobicContact CD2-CG2 4.1Å; L39-D165 HydrophobicContact CD1-CB 4.17Å; L39-D165 HydrophobicContact CD2-CB 4.2Å; L39-F166 HydrophobicContact CB-CD1 4.18Å; L39-F166 HydrophobicContact CB-CE1 3.41Å; L39-F166 VanDerWaalsContact CB-CE1 3.41Å; L39-F166 HydrophobicContact CB-CE2 4.11Å; L39-F166 HydrophobicContact CB-CZ 3.38Å; L39-F166 HydrophobicContact CD1-CD1 4.07Å; L39-F166 HydrophobicContact CD1-CE1 4.15Å; L39-F166 HydrophobicContact CD1-CG 4.37Å; L39-F166 HydrophobicContact CG-CE1 4.44Å
40L95.7Very high88Confident20 Ų2070.4 Ų70.411%0.10535%0.351CS..Hα-helixtrans-59.8-39174.5-68.1175.4000112.7I36 R38 L42 E43 F166 S209 Q243I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 HydrophobicContact CG2-CG 4.24Å; I36-L40 VanDerWaalsContact O-CG 3.3Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.3Å; R38-L40 VanDerWaalsContact C-N 3.35Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.06Å; L40-E43 WeakPolarHBondContact CD2-OE1 3.49Å; L40-E43 WeakPolarHBondContact O-CG 3.37Å; L40-F166 HydrophobicContact CD2-CE1 3.84Å; L40-F166 HydrophobicContact CD2-CZ 4.03Å; L40-F166 HydrophobicContact CG-CE1 4.05Å; L40-F166 HydrophobicContact CG-CZ 4.43Å; L40-S209 VanDerWaalsContact CD2-CB 3.41Å; L40-S209 WeakPolarHBondContact CD2-OG 3.49Å; L40-Q243 HydrophobicContact CD1-CB 4.35Å; L40-Q243 HydrophobicContact CD1-CG 3.67Å
41H93.8Very high88.6Confident159 Ų15971 Ų7174%0.73635%0.351SS*.Hα-helixtrans-67.3-34.6176-174.565.4000112.4Q37 R38 L39Q37-H41 PolarHBondContact O-N 2.92Å; Q37-H41 VanDerWaalsContact O-N 3.09Å; R38-H41 PolarHBondContact O-N 3.21Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 2.78Å
42L94.4Very high89.1Confident69 Ų6969.3 Ų69.336%0.36134%0.339SS..Hα-helixtrans-81.5-32.9-178.3-72174.1000113.1R38 L39 L40 G44 R45 Y46 V161R38-L42 WeakPolarHBondContact O-CG 3.4Å; R38-L42 PolarHBondContact O-N 3.44Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-L42 VanDerWaalsContact O-N 3.1Å; L40-L42 VanDerWaalsContact C-N 3.31Å; L40-L42 PolarHBondContact O-N 3.06Å; L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 3.05Å; L42-R45 VanDerWaalsContact O-CB 3.25Å; L42-R45 WeakPolarHBondContact O-CB 3.25Å; L42-R45 PolarHBondContact O-N 3.33Å; L42-Y46 HydrophobicContact CB-CE2 4.28Å; L42-Y46 VanDerWaalsContact O-CD2 3.28Å; L42-Y46 WeakPolarHBondContact O-CD2 3.48Å; L42-V161 HydrophobicContact CB-CG2 3.75Å; L42-V161 HydrophobicContact CD1-CG2 4.5Å
43E94.7Very high89.3Confident17 Ų1770.8 Ų70.88%0.07934%0.343CS..Hα-helixtrans-60.2-35.7-170.980-178.1153.700113L39 L40 R45 Y46 V161 P207 P208 S209L39-E43 WeakPolarHBondContact O-CB 3.46Å; L39-E43 PolarHBondContact O-N 3.1Å; L40-E43 WeakPolarHBondContact CD2-OE1 3.49Å; L40-E43 WeakPolarHBondContact O-CG 3.37Å; E43-R45 PolarHBondContact O-N 2.86Å; E43-Y46 PolarHBondContact O-N 3.48Å; E43-Y46 VanDerWaalsContact O-N 3.1Å; E43-V161 HydrophobicContact CB-CB 4.36Å; E43-V161 HydrophobicContact CB-CG1 4.24Å; E43-P207 HydrophobicContact CG-CB 4.36Å; E43-P208 HydrophobicContact CB-CG 4.26Å; E43-P208 WeakPolarHBondContact OE2-CD 3.49Å; E43-S209 VanDerWaalsContact CD-OG 3.23Å; E43-S209 WeakPolarHBondContact OE1-CB 3.36Å; E43-S209 PolarHBondContact OE1-OG 3.39Å; E43-S209 WeakPolarHBondContact OE2-CB 3.3Å; E43-S209 PolarHBondContact OE2-N 3.09Å; E43-S209 PolarHBondContact OE2-OG 3.24Å
44G89.5Confident88.8Confident53 Ų5370.2 Ų70.255%0.54635%0.347SS..G310 helixtrans-62.2-25.9177.800000113.8L42 Y46L42-G44 VanDerWaalsContact C-N 3.26Å; L42-G44 PolarHBondContact O-N 3.05Å; G44-Y46 VanDerWaalsContact C-N 3.26Å; G44-Y46 PolarHBondContact O-N 2.99Å
45R90.3Very high88.3Confident164 Ų16466.3 Ų66.362%0.61934%0.337SS*.G310 helixtrans-68-27.2177.2-179.7178.8170.8150.6-2.6112.5L42 E43 D157L42-R45 VanDerWaalsContact O-CB 3.25Å; L42-R45 WeakPolarHBondContact O-CB 3.25Å; L42-R45 PolarHBondContact O-N 3.33Å; E43-R45 PolarHBondContact O-N 2.86Å; R45-D157 IonicContact CZ-OD2 3.84Å; R45-D157 VanDerWaalsContact CZ-OD2 3.23Å; R45-D157 IonicContact NE-OD2 3.82Å; R45-D157 PolarHBondContact NE-OD2 3.48Å; R45-D157 IonicContact NH2-OD1 3.23Å; R45-D157 IonicContact NH2-OD2 3.87Å; R45-D157 PolarHBondContact NH2-OD2 3.12Å
46Y90.4Very high87.7Confident19 Ų1967.1 Ų67.18%0.07534%0.34CS..G310 helixtrans-100.86.5-171.9-56-62.5000113.2L42 E43 G44 D157 A159 A160 V161L42-Y46 HydrophobicContact CB-CE2 4.28Å; L42-Y46 VanDerWaalsContact O-CD2 3.28Å; L42-Y46 WeakPolarHBondContact O-CD2 3.48Å; E43-Y46 PolarHBondContact O-N 3.48Å; E43-Y46 VanDerWaalsContact O-N 3.1Å; G44-Y46 VanDerWaalsContact C-N 3.26Å; G44-Y46 PolarHBondContact O-N 2.99Å; Y46-D157 PolarHBondContact OH-OD1 3.49Å; Y46-A159 PolarHBondContact OH-O 3Å; Y46-A160 HydrophobicContact CD1-CB 3.77Å; Y46-A160 HydrophobicContact CD2-CB 4.15Å; Y46-A160 HydrophobicContact CE1-CB 4.31Å; Y46-A160 HydrophobicContact CG-CB 3.68Å; Y46-V161 HydrophobicContact CD2-CB 4.22Å; Y46-V161 HydrophobicContact CD2-CG2 4.2Å; Y46-V161 HydrophobicContact CE2-CB 4.48Å; Y46-V161 HydrophobicContact CE2-CG2 3.99Å
47M88.1Confident87.1Confident65 Ų6568.1 Ų68.132%0.3235%0.345SS..PPolyproline II helixtrans-70.7138.4178.2-67.9-78.472.500112.1
48P84.9Confident86.2Confident22 Ų2273 Ų7314%0.14336%0.36CS..PPolyproline II helixtrans-64.3149.6177.426.7-32.4000110.7Y52 D92 L204P48-Y52 HydrophobicContact CB-CD1 3.78Å; P48-Y52 HydrophobicContact CB-CE1 4.2Å; P48-D92 HydrophobicContact CB-CB 4.43Å; P48-L204 HydrophobicContact CG-CD1 3.89Å; P48-L204 HydrophobicContact CG-CG 4.37Å
49S85.4Confident85.6Confident47 Ų4767.7 Ų67.733%0.32934%0.344SS..PPolyproline II helixtrans-69.3143.1-178.8176.20000111.6L51 Y52 V53 S96S49-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-L51 PolarHBondContact OG-N 3.28Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.49Å; S49-Y52 PolarHBondContact O-N 3.04Å; S49-V53 PolarHBondContact O-N 3.01Å; S49-S96 PolarHBondContact N-OG 2.87Å
50M80.1Confident85.2Confident142 Ų14268.9 Ų68.970%0.735%0.353SS*.Hα-helixtrans-57.6-28.3171.1-71-59-62.900112.8V53 T54M50-V53 PolarHBondContact O-N 2.94Å; M50-T54 WeakPolarHBondContact O-CB 3.34Å; M50-T54 PolarHBondContact O-N 3.38Å; M50-T54 PolarHBondContact O-OG1 3.43Å
51L80.6Confident84.8Confident97 Ų9774.1 Ų74.151%0.50838%0.376SS..Hα-helixtrans-68.1-35.4175-65.1177.9000111.8S49 T54 L55 L99S49-L51 PolarHBondContact O-N 3.35Å; S49-L51 VanDerWaalsContact O-N 3.13Å; S49-L51 PolarHBondContact OG-N 3.28Å; L51-T54 PolarHBondContact O-N 2.95Å; L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; L51-L99 HydrophobicContact CB-CD2 4.21Å
52Y82.8Confident84.6Confident0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-62.8-47.5173.7164.3-113.9000111.5P48 S49 T54 L55 I56 Q57 D92 L95 S96 L204P48-Y52 HydrophobicContact CB-CD1 3.78Å; P48-Y52 HydrophobicContact CB-CE1 4.2Å; S49-Y52 VanDerWaalsContact O-CB 3.26Å; S49-Y52 WeakPolarHBondContact O-CB 3.49Å; S49-Y52 PolarHBondContact O-N 3.04Å; Y52-T54 PolarHBondContact O-N 3.1Å; Y52-L55 PolarHBondContact O-N 2.99Å; Y52-I56 HydrophobicContact CD2-CB 3.6Å; Y52-I56 HydrophobicContact CD2-CG1 3.94Å; Y52-I56 HydrophobicContact CD2-CG2 4Å; Y52-I56 HydrophobicContact CE2-CB 3.84Å; Y52-I56 HydrophobicContact CE2-CG2 3.75Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 PolarHBondContact O-N 3.03Å; Y52-Q57 HydrophobicContact CD1-CG 4.17Å; Y52-Q57 HydrophobicContact CD2-CG 4.37Å; Y52-Q57 HydrophobicContact CE1-CG 3.71Å; Y52-Q57 HydrophobicContact CE2-CG 3.83Å; Y52-Q57 PolarHBondContact O-N 3.15Å; Y52-Q57 PolarHBondContact OH-NE2 3.15Å; Y52-D92 HydrophobicContact CE1-CB 4.05Å; Y52-D92 PolarHBondContact OH-OD1 2.82Å; Y52-L95 HydrophobicContact CD2-CB 3.69Å; Y52-L95 HydrophobicContact CE2-CB 3.32Å; Y52-L95 HydrophobicContact CE2-CD1 3.81Å; Y52-L95 HydrophobicContact CE2-CG 4.2Å; Y52-S96 VanDerWaalsContact CB-OG 3.25Å; Y52-S96 WeakPolarHBondContact CB-OG 3.17Å; Y52-L204 HydrophobicContact CE1-CD1 4.23Å; Y52-L204 HydrophobicContact CE1-CD2 4.08Å
53V79.8Confident84.5Confident52 Ų5270.6 Ų70.632%0.31535%0.352SS..Hα-helixtrans-57.9-41.7177.6-1770000110.6S49 M50 Q57 L204S49-V53 PolarHBondContact O-N 3.01Å; M50-V53 PolarHBondContact O-N 2.94Å; V53-Q57 WeakPolarHBondContact O-CB 3.48Å; V53-L204 HydrophobicContact CG2-CD2 3.94Å; V53-L204 HydrophobicContact CG2-CG 4.4Å
54T77.1Confident84.4Confident88 Ų8871.5 Ų71.554%0.5436%0.356SS..Hα-helixtrans-80.9-36.8-175.3-50.80000113.7M50 L51 Y52M50-T54 WeakPolarHBondContact O-CB 3.34Å; M50-T54 PolarHBondContact O-N 3.38Å; M50-T54 PolarHBondContact O-OG1 3.43Å; L51-T54 PolarHBondContact O-N 2.95Å; Y52-T54 PolarHBondContact O-N 3.1Å
55L78.6Confident84.7Confident74 Ų7474.1 Ų74.139%0.38735%0.354SS..Hα-helixtrans-99.1-34.8-169.5-60.6176.2000113.3L51 Y52 L99L51-L55 HydrophobicContact CB-CD1 4.28Å; L51-L55 WeakPolarHBondContact O-CB 3.49Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.48Å; Y52-L55 PolarHBondContact O-N 2.99Å; L55-L99 HydrophobicContact CD1-CD1 4.1Å
56I79.4Confident84.9Confident40 Ų4067 Ų6721%0.20533%0.328CS..THydrogen-bonded Turntrans-105.4-44.1-174.1-52.7-56.6000111.2Y52 R58 L99Y52-I56 HydrophobicContact CD2-CB 3.6Å; Y52-I56 HydrophobicContact CD2-CG1 3.94Å; Y52-I56 HydrophobicContact CD2-CG2 4Å; Y52-I56 HydrophobicContact CE2-CB 3.84Å; Y52-I56 HydrophobicContact CE2-CG2 3.75Å; Y52-I56 WeakPolarHBondContact O-CB 3.48Å; Y52-I56 PolarHBondContact O-N 3.03Å; I56-R58 PolarHBondContact O-N 3.45Å; I56-L99 HydrophobicContact CD1-CB 4.31Å; I56-L99 WeakPolarHBondContact CD1-O 3.25Å; I56-L99 HydrophobicContact CG1-CD2 4.37Å
57Q79.6Confident85.2Confident21 Ų2166 Ų6610%0.09832%0.324CS..THydrogen-bonded Turntrans-81.138178.6-61.9-61.4-42.800113Y52 V53 D59 L204Y52-Q57 HydrophobicContact CD1-CG 4.17Å; Y52-Q57 HydrophobicContact CD2-CG 4.37Å; Y52-Q57 HydrophobicContact CE1-CG 3.71Å; Y52-Q57 HydrophobicContact CE2-CG 3.83Å; Y52-Q57 PolarHBondContact O-N 3.15Å; Y52-Q57 PolarHBondContact OH-NE2 3.15Å; V53-Q57 WeakPolarHBondContact O-CB 3.48Å; Q57-D59 PolarHBondContact O-N 2.91Å; Q57-L204 HydrophobicContact CB-CD2 4.46Å; Q57-L204 HydrophobicContact CG-CD2 3.9Å
58R75.5Confident85.6Confident196 Ų19666.5 Ų66.574%0.7433%0.325SS*.THydrogen-bonded Turntrans-66.5-25.6171.8-70-174.2175.6177.60.9112.5I56I56-R58 PolarHBondContact O-N 3.45Å
59D81.9Confident86.2Confident53 Ų5367 Ų6728%0.28332%0.324SS..SBendtrans-126.186.3175.9-176.24.6000108.4Q57 Q61 R62Q57-D59 PolarHBondContact O-N 2.91Å; D59-Q61 PolarHBondContact O-N 3.46Å; D59-R62 PolarHBondContact O-N 3.24Å; D59-R62 IonicContact OD2-CZ 2.74Å; D59-R62 VanDerWaalsContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 3.11Å; D59-R62 PolarHBondContact OD2-NE 3.44Å; D59-R62 IonicContact OD2-NH2 2.64Å; D59-R62 PolarHBondContact OD2-NH2 3.05Å
60P85.7Confident86.8Confident49 Ų4965 Ų6532%0.31831%0.31SS..Hα-helixtrans-59.1-28.1-175.5-23.933.4000113R62 R63 E64 S201P60-R62 VanDerWaalsContact C-N 3.28Å; P60-R62 PolarHBondContact O-N 2.92Å; P60-R63 PolarHBondContact O-N 3.41Å; P60-R63 VanDerWaalsContact O-N 3.09Å; P60-E64 WeakPolarHBondContact O-CG 3.3Å; P60-E64 PolarHBondContact O-N 2.98Å; P60-S201 WeakPolarHBondContact CB-OG 3.13Å
61Q88.6Confident87.7Confident129 Ų12960.1 Ų60.160%0.60329%0.286SS*.Hα-helixtrans-58.6-39.2-177.8-64.5-178.5-13.400111.9D59 R63 E64 E65D59-Q61 PolarHBondContact O-N 3.46Å; Q61-R63 PolarHBondContact O-N 3.37Å; Q61-E64 PolarHBondContact O-N 2.96Å; Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 2.98Å
62R88.3Confident88.5Confident142 Ų14260.9 Ų60.954%0.53629%0.287SS..Hα-helixtrans-62.6-39.3176.9-81.4-174.6-102.4164.9-7113.2D59 P60 I66D59-R62 PolarHBondContact O-N 3.24Å; D59-R62 IonicContact OD2-CZ 2.74Å; D59-R62 VanDerWaalsContact OD2-CZ 3.3Å; D59-R62 IonicContact OD2-NE 3.11Å; D59-R62 PolarHBondContact OD2-NE 3.44Å; D59-R62 IonicContact OD2-NH2 2.64Å; D59-R62 PolarHBondContact OD2-NH2 3.05Å; P60-R62 VanDerWaalsContact C-N 3.28Å; P60-R62 PolarHBondContact O-N 2.92Å; R62-I66 WeakPolarHBondContact O-CD1 3.2Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 3.17Å
63R92.3Very high89.2Confident13 Ų1361 Ų615%0.04929%0.288CS..Hα-helixtrans-66.4-43.9174.2-178-156.4173.2-95.53.9110.4P60 Q61 E65 I66 A67 M91 D92 V198P60-R63 PolarHBondContact O-N 3.41Å; P60-R63 VanDerWaalsContact O-N 3.09Å; Q61-R63 PolarHBondContact O-N 3.37Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.02Å; R63-I66 PolarHBondContact O-N 2.93Å; R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.32Å; R63-M91 HydrophobicContact CG-CE 4.34Å; R63-D92 IonicContact CZ-OD1 2.73Å; R63-D92 IonicContact CZ-OD2 3.32Å; R63-D92 IonicContact NE-OD1 3.82Å; R63-D92 PolarHBondContact NE-OD1 3.17Å; R63-D92 IonicContact NE-OD2 3.24Å; R63-D92 PolarHBondContact NE-OD2 2.71Å; R63-D92 IonicContact NH2-OD1 3.35Å; R63-D92 IonicContact NH2-OD2 2.62Å; R63-D92 PolarHBondContact NH2-OD2 3.08Å; R63-V198 PolarHBondContact NH1-O 2.93Å; R63-V198 PolarHBondContact NH2-O 3.41Å
64E94Very high90Very high35 Ų3558.9 Ų58.916%0.16428%0.275CS..Hα-helixtrans-62.6-37.2179.7-61.7-173.9177.400112P60 Q61 K68 C199 S201P60-E64 WeakPolarHBondContact O-CG 3.3Å; P60-E64 PolarHBondContact O-N 2.98Å; Q61-E64 PolarHBondContact O-N 2.96Å; E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 WeakPolarHBondContact O-CD 3.46Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 3.07Å; E64-C199 VanDerWaalsContact CG-O 3.29Å; E64-C199 WeakPolarHBondContact CG-O 3.43Å; E64-S201 VanDerWaalsContact OE1-CB 3.23Å; E64-S201 WeakPolarHBondContact OE1-CB 3.29Å; E64-S201 PolarHBondContact OE1-N 3.33Å; E64-S201 PolarHBondContact OE1-OG 2.73Å
65E94.4Very high90.9Very high109 Ų10958.7 Ų58.751%0.50928%0.277SS..Hα-helixtrans-61.5-49173.2-74.8167.4-171.400111.7Q61 R63 A67 K68 W69Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 2.98Å; R63-E65 VanDerWaalsContact C-N 3.3Å; R63-E65 PolarHBondContact O-N 3.02Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.15Å; E65-K68 PolarHBondContact O-N 3.45Å; E65-W69 WeakPolarHBondContact O-CB 3.19Å; E65-W69 PolarHBondContact O-N 3.38Å
66I95.3Very high91.7Very high13 Ų1362 Ų627%0.06730%0.295CS..Hα-helixtrans-64.6-40.8178.8-62.3161.8000110.9R62 R63 W69 A70 M91 P105 A109R62-I66 WeakPolarHBondContact O-CD1 3.2Å; R62-I66 VanDerWaalsContact O-CG1 3.28Å; R62-I66 WeakPolarHBondContact O-CG1 3.39Å; R62-I66 PolarHBondContact O-N 3.17Å; R63-I66 PolarHBondContact O-N 2.93Å; I66-W69 PolarHBondContact O-N 2.98Å; I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.38Å; I66-M91 HydrophobicContact CB-SD 4.48Å; I66-M91 HydrophobicContact CG2-CE 4.36Å; I66-M91 HydrophobicContact CG2-SD 3.58Å; I66-M91 VanDerWaalsContact CG2-SD 3.58Å; I66-P105 HydrophobicContact CD1-CB 3.52Å; I66-P105 HydrophobicContact CG1-CB 4.27Å; I66-A109 HydrophobicContact CG2-CB 3.53Å
67A96.7Very high92.3Very high0 Ų062.5 Ų62.50%030%0.301CS..Hα-helixtrans-67.7-38.9177.600000112.1R63 E65 A70 L71 F84 V88R63-A67 WeakPolarHBondContact O-CB 3.36Å; R63-A67 PolarHBondContact O-N 3.32Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 3.15Å; A67-A70 PolarHBondContact O-N 3.26Å; A67-L71 PolarHBondContact O-N 3.43Å; A67-F84 WeakPolarHBondContact O-CE2 3.32Å; A67-V88 HydrophobicContact CB-CG2 4.37Å
68K96.5Very high93Very high75 Ų7564.3 Ų64.333%0.32633%0.326SS..Hα-helixtrans-63.3-46.7173.9-75.5165.5-169.6166.70111.3E64 E65 A70 L71 E72E64-K68 VanDerWaalsContact O-CB 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 WeakPolarHBondContact O-CD 3.46Å; E64-K68 WeakPolarHBondContact O-CG 3.28Å; E64-K68 PolarHBondContact O-N 3.07Å; E65-K68 PolarHBondContact O-N 3.45Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.29Å; K68-L71 WeakPolarHBondContact O-CB 3.39Å; K68-L71 PolarHBondContact O-N 3.16Å; K68-L71 VanDerWaalsContact O-N 3.16Å; K68-E72 WeakPolarHBondContact O-CG 3.25Å; K68-E72 PolarHBondContact O-N 3.48Å
69W97.6Very high93.9Very high33 Ų3355.6 Ų55.613%0.12529%0.294CS..Hα-helixtrans-57.9-45.7174.2175.682.5000111.3E65 I66 L71 E72 V73 F106 A109 A110 I113 A133 A134E65-W69 WeakPolarHBondContact O-CB 3.19Å; E65-W69 PolarHBondContact O-N 3.38Å; I66-W69 PolarHBondContact O-N 2.98Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.15Å; W69-E72 PolarHBondContact O-N 2.75Å; W69-V73 HydrophobicContact CD2-CG2 3.99Å; W69-V73 HydrophobicContact CE3-CG2 4.41Å; W69-V73 HydrophobicContact CH2-CG2 4.07Å; W69-V73 HydrophobicContact CZ2-CG2 3.63Å; W69-V73 HydrophobicContact CZ3-CG2 4.44Å; W69-V73 WeakPolarHBondContact O-CG2 3.15Å; W69-V73 PolarHBondContact O-N 3.34Å; W69-F106 HydrophobicContact CB-CD1 4.3Å; W69-F106 HydrophobicContact CB-CE1 3.81Å; W69-F106 AromaticContact CD2-CD1 3.54Å; W69-F106 HydrophobicContact CD2-CD1 3.54Å; W69-F106 AromaticContact CD2-CE1 3.98Å; W69-F106 HydrophobicContact CD2-CE1 3.98Å; W69-F106 AromaticContact CE2-CD1 3.97Å; W69-F106 AromaticContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CE1 4.44Å; W69-F106 AromaticContact CG-CD1 3.77Å; W69-F106 HydrophobicContact CG-CD1 3.77Å; W69-F106 AromaticContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CZ3-CD1 4.39Å; W69-A109 HydrophobicContact CE3-CB 4.06Å; W69-A109 HydrophobicContact CZ3-CB 3.75Å; W69-A110 HydrophobicContact CH2-CB 4.01Å; W69-A110 HydrophobicContact CZ3-CB 4.45Å; W69-I113 HydrophobicContact CZ3-CD1 4.23Å; W69-A133 PolarHBondContact NE1-O 3.03Å; W69-A134 HydrophobicContact CZ2-CB 3.9Å
70A98.3Very high94.4Very high4 Ų455 Ų553%0.03329%0.291CS..Hα-helixtrans-61.6-37.4177.600000112.8I66 A67 K68 C74 F84 I113I66-A70 WeakPolarHBondContact O-CB 3.2Å; I66-A70 PolarHBondContact O-N 3.38Å; A67-A70 PolarHBondContact O-N 3.26Å; K68-A70 VanDerWaalsContact C-N 3.32Å; K68-A70 PolarHBondContact O-N 3.29Å; A70-C74 WeakPolarHBondContact O-CB 3.46Å; A70-C74 PolarHBondContact O-N 3.37Å; A70-C74 PolarHBondContact O-SG 3.2Å; A70-F84 HydrophobicContact CB-CD2 4.19Å; A70-F84 HydrophobicContact CB-CE2 4.02Å; A70-I113 HydrophobicContact CB-CD1 3.94Å; A70-I113 HydrophobicContact CB-CG1 4.49Å
71L97.8Very high94.8Very high39 Ų3957.4 Ų57.420%0.20430%0.299CS..Hα-helixtrans-63.9-48.7174176.660.3000111.2A67 K68 W69 V73 C74 C75 F84 A195A67-L71 PolarHBondContact O-N 3.43Å; K68-L71 WeakPolarHBondContact O-CB 3.39Å; K68-L71 PolarHBondContact O-N 3.16Å; K68-L71 VanDerWaalsContact O-N 3.16Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.15Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 2.97Å; L71-C74 PolarHBondContact O-N 3Å; L71-C75 PolarHBondContact O-N 2.74Å; L71-C75 PolarHBondContact O-SG 3.41Å; L71-C75 VanDerWaalsContact O-SG 3.34Å; L71-F84 HydrophobicContact CB-CD1 4.43Å; L71-F84 HydrophobicContact CB-CD2 3.93Å; L71-F84 HydrophobicContact CB-CE1 4.18Å; L71-F84 HydrophobicContact CB-CE2 3.67Å; L71-F84 HydrophobicContact CB-CG 4.31Å; L71-F84 HydrophobicContact CB-CZ 3.81Å; L71-F84 HydrophobicContact CD1-CD1 3.72Å; L71-F84 HydrophobicContact CD1-CD2 4.4Å; L71-F84 HydrophobicContact CD1-CE1 4.01Å; L71-F84 HydrophobicContact CD1-CG 3.93Å; L71-F84 HydrophobicContact CG-CE1 4.48Å; L71-A195 HydrophobicContact CD1-CB 4.13Å
72E97.5Very high95.1Very high113 Ų11352 Ų5253%0.52828%0.275SS..Hα-helixtrans-56.3-47.9177.5-71.4165.1-17100111K68 W69 C74 C75 D76K68-E72 WeakPolarHBondContact O-CG 3.25Å; K68-E72 PolarHBondContact O-N 3.48Å; W69-E72 PolarHBondContact O-N 2.75Å; E72-C74 VanDerWaalsContact C-N 3.35Å; E72-C74 PolarHBondContact O-N 3.1Å; E72-C75 WeakPolarHBondContact O-CB 3.46Å; E72-C75 PolarHBondContact O-N 2.9Å; E72-D76 PolarHBondContact O-N 2.78Å
73V97.4Very high95.5Very high4 Ų445.2 Ų45.22%0.02425%0.25CC..Hα-helixtrans-60.9-41.5176.9173.70000112.4W69 L71 C75 D76 C77 I113 L130 A133W69-V73 HydrophobicContact CD2-CG2 3.99Å; W69-V73 HydrophobicContact CE3-CG2 4.41Å; W69-V73 HydrophobicContact CH2-CG2 4.07Å; W69-V73 HydrophobicContact CZ2-CG2 3.63Å; W69-V73 HydrophobicContact CZ3-CG2 4.44Å; W69-V73 WeakPolarHBondContact O-CG2 3.15Å; W69-V73 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 2.97Å; V73-C75 VanDerWaalsContact C-N 3.34Å; V73-D76 PolarHBondContact O-N 2.94Å; V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.21Å; V73-C77 PolarHBondContact O-SG 3.12Å; V73-I113 HydrophobicContact CB-CD1 4.25Å; V73-I113 HydrophobicContact CG1-CD1 4.06Å; V73-L130 HydrophobicContact CG1-CD2 3.61Å; V73-A133 HydrophobicContact CG1-CB 4.22Å; V73-A133 HydrophobicContact CG2-CB 3.77Å
74C97.3Very high95.8Very high6 Ų644.9 Ų44.94%0.04125%0.249CC..Hα-helixtrans-65.2-39.4177.1-68.60000111.6A70 L71 E72 G78 C79 F84A70-C74 WeakPolarHBondContact O-CB 3.46Å; A70-C74 PolarHBondContact O-N 3.37Å; A70-C74 PolarHBondContact O-SG 3.2Å; L71-C74 PolarHBondContact O-N 3Å; E72-C74 VanDerWaalsContact C-N 3.35Å; E72-C74 PolarHBondContact O-N 3.1Å; C74-G78 PolarHBondContact O-N 2.84Å; C74-C79 HydrophobicContact CB-CB 4Å; C74-C79 WeakPolarHBondContact O-CB 3.38Å; C74-C79 PolarHBondContact O-N 3.35Å; C74-C79 PolarHBondContact O-SG 2.82Å; C74-F84 HydrophobicContact CB-CB 4.03Å
75C95.4Very high96Very high85 Ų8543.6 Ų43.657%0.57424%0.243SC*.Hα-helixtrans-64.9-45.8175-67.90000111.9L71 E72 V73 C77 G78L71-C75 PolarHBondContact O-N 2.74Å; L71-C75 PolarHBondContact O-SG 3.41Å; L71-C75 VanDerWaalsContact O-SG 3.34Å; E72-C75 WeakPolarHBondContact O-CB 3.46Å; E72-C75 PolarHBondContact O-N 2.9Å; V73-C75 VanDerWaalsContact C-N 3.34Å; C75-C77 VanDerWaalsContact C-N 3.28Å; C75-C77 PolarHBondContact O-N 3.07Å; C75-G78 PolarHBondContact O-N 2.99Å
76D95.3Very high96.1Very high142 Ų14238.8 Ų38.876%0.75922%0.221SC*.Hα-helixtrans-65.5-32-179.8-72.8-13000112.4E72 V73 G78E72-D76 PolarHBondContact O-N 2.78Å; V73-D76 PolarHBondContact O-N 2.94Å; D76-G78 VanDerWaalsContact C-N 3.3Å
77C93.5Very high96.3Very high51 Ų5138.3 Ų38.335%0.34522%0.219SC..THydrogen-bonded Turntrans-82.3-4.7174.8-63.60000113.6V73 C75 C79 V125V73-C77 WeakPolarHBondContact O-CB 3.5Å; V73-C77 PolarHBondContact O-N 3.21Å; V73-C77 PolarHBondContact O-SG 3.12Å; C75-C77 VanDerWaalsContact C-N 3.28Å; C75-C77 PolarHBondContact O-N 3.07Å; C77-C79 VanDerWaalsContact C-N 3.3Å; C77-C79 PolarHBondContact O-N 2.95Å; C77-V125 HydrophobicContact CB-CG1 4.4Å; C77-V125 HydrophobicContact CB-CG2 4.05Å
78G93.5Very high96.3Very high59 Ų5938.4 Ų38.461%0.60822%0.22SC*.THydrogen-bonded Turntrans65.430.7-177.200000114C74 C75 D76C74-G78 PolarHBondContact O-N 2.84Å; C75-G78 PolarHBondContact O-N 2.99Å; D76-G78 VanDerWaalsContact C-N 3.3Å
79C94.4Very high96.2Very high13 Ų1336 Ų369%0.08821%0.212CC..  trans-63.9152.4-177.2-65.10000112.9C74 C77 V83 E121 V125C74-C79 HydrophobicContact CB-CB 4Å; C74-C79 WeakPolarHBondContact O-CB 3.38Å; C74-C79 PolarHBondContact O-N 3.35Å; C74-C79 PolarHBondContact O-SG 2.82Å; C77-C79 VanDerWaalsContact C-N 3.3Å; C77-C79 PolarHBondContact O-N 2.95Å; C79-V83 HydrophobicContact CB-CB 3.91Å; C79-V83 HydrophobicContact CB-CG1 4.14Å; C79-V83 HydrophobicContact CB-CG2 3.94Å; C79-E121 VanDerWaalsContact CA-OE1 3.23Å; C79-E121 WeakPolarHBondContact CA-OE1 3.42Å; C79-V125 WeakPolarHBondContact SG-CG2 3.14Å
80D93.3Very high96.2Very high40 Ų4034.4 Ų34.421%0.21421%0.206CC..  trans-60.9146.8167-171.9-96.3000111.5R23 A82 V83 E121R23-D80 IonicContact CZ-OD2 2.75Å; R23-D80 IonicContact NH1-OD2 3.56Å; R23-D80 PolarHBondContact NH1-OD2 3.19Å; R23-D80 VanDerWaalsContact NH2-CG 3.31Å; R23-D80 IonicContact NH2-OD1 2.94Å; R23-D80 PolarHBondContact NH2-OD1 3.1Å; R23-D80 VanDerWaalsContact NH2-OD1 3.17Å; R23-D80 IonicContact NH2-OD2 3.23Å; R23-D80 PolarHBondContact NH2-OD2 3.23Å; D80-A82 PolarHBondContact O-N 3.49Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 2.93Å; D80-A82 VanDerWaalsContact OD1-N 3.16Å; D80-V83 HydrophobicContact CB-CG2 4.32Å; D80-V83 WeakPolarHBondContact O-CB 3.46Å; D80-V83 WeakPolarHBondContact O-CG2 3.49Å; D80-V83 PolarHBondContact O-N 3.18Å; D80-E121 HydrophobicContact CB-CG 4.16Å; D80-E121 PolarHBondContact N-OE1 3.09Å
81E93.8Very high96.1Very high101 Ų10134.5 Ų34.547%0.47221%0.206SC..THydrogen-bonded Turntrans-62.9-16.6-173.3-45.3-56-168.900114.1P85 Q164 D191E81-P85 WeakPolarHBondContact O-CD 3.3Å; E81-P85 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 HydrophobicContact CB-CG 4.37Å; E81-Q164 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 PolarHBondContact O-NE2 3.03Å; E81-D191 HydrophobicContact CB-CB 4.22Å; E81-D191 HydrophobicContact CG-CB 4.2Å
82A94.6Very high95.9Very high14 Ų1433.2 Ų33.212%0.11620%0.199CC..THydrogen-bonded Turntrans-77.7-23.7173.600000113.7D80 L86 T120 Q164D80-A82 PolarHBondContact O-N 3.49Å; D80-A82 WeakPolarHBondContact OD1-CB 3.31Å; D80-A82 PolarHBondContact OD1-N 2.93Å; D80-A82 VanDerWaalsContact OD1-N 3.16Å; A82-L86 VanDerWaalsContact O-CB 3.23Å; A82-L86 WeakPolarHBondContact O-CB 3.25Å; A82-L86 PolarHBondContact O-N 2.93Å; A82-T120 HydrophobicContact CB-CG2 4.19Å; A82-Q164 HydrophobicContact CB-CB 4.18Å; A82-Q164 HydrophobicContact CB-CG 4.48Å
83V97.3Very high95.7Very high0 Ų029.1 Ų29.10%018%0.179CC..Hα-helixtrans-62.2-52.6-174.8175.50000110.9C79 D80 L86 S87 I113 A116 T120 E121C79-V83 HydrophobicContact CB-CB 3.91Å; C79-V83 HydrophobicContact CB-CG1 4.14Å; C79-V83 HydrophobicContact CB-CG2 3.94Å; D80-V83 HydrophobicContact CB-CG2 4.32Å; D80-V83 WeakPolarHBondContact O-CB 3.46Å; D80-V83 WeakPolarHBondContact O-CG2 3.49Å; D80-V83 PolarHBondContact O-N 3.18Å; V83-L86 PolarHBondContact O-N 2.73Å; V83-S87 WeakPolarHBondContact O-CB 3.49Å; V83-S87 PolarHBondContact O-N 3.29Å; V83-I113 HydrophobicContact CG1-CG2 4.3Å; V83-A116 HydrophobicContact CG1-CB 4Å; V83-A116 WeakPolarHBondContact O-CB 3.4Å; V83-T120 WeakPolarHBondContact CG2-OG1 3.38Å; V83-E121 HydrophobicContact CG2-CG 3.9Å; V83-E121 WeakPolarHBondContact CG2-OE2 3.4Å
84F98Very high95.5Very high7 Ų729.7 Ų29.73%0.03118%0.181CC..Hα-helixtrans-61.6-53.9-174.7164.4-108.4000112.7A67 A70 L71 C74 L86 S87 V88 A195 V198 C199A67-F84 WeakPolarHBondContact O-CE2 3.32Å; A70-F84 HydrophobicContact CB-CD2 4.19Å; A70-F84 HydrophobicContact CB-CE2 4.02Å; L71-F84 HydrophobicContact CB-CD1 4.43Å; L71-F84 HydrophobicContact CB-CD2 3.93Å; L71-F84 HydrophobicContact CB-CE1 4.18Å; L71-F84 HydrophobicContact CB-CE2 3.67Å; L71-F84 HydrophobicContact CB-CG 4.31Å; L71-F84 HydrophobicContact CB-CZ 3.81Å; L71-F84 HydrophobicContact CD1-CD1 3.72Å; L71-F84 HydrophobicContact CD1-CD2 4.4Å; L71-F84 HydrophobicContact CD1-CE1 4.01Å; L71-F84 HydrophobicContact CD1-CG 3.93Å; L71-F84 HydrophobicContact CG-CE1 4.48Å; C74-F84 HydrophobicContact CB-CB 4.03Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 2.89Å; F84-S87 WeakPolarHBondContact O-CB 3.11Å; F84-S87 PolarHBondContact O-N 3.17Å; F84-S87 VanDerWaalsContact O-N 3.11Å; F84-S87 PolarHBondContact O-OG 3.48Å; F84-V88 HydrophobicContact CD2-CG2 4.05Å; F84-V88 HydrophobicContact CE2-CG2 3.41Å; F84-V88 VanDerWaalsContact CE2-CG2 3.41Å; F84-V88 HydrophobicContact CZ-CG2 3.77Å; F84-V88 PolarHBondContact O-N 3.16Å; F84-A195 HydrophobicContact CD1-CB 3.98Å; F84-A195 HydrophobicContact CE1-CB 4.01Å; F84-V198 HydrophobicContact CD1-CG1 4.45Å; F84-V198 HydrophobicContact CE1-CB 3.83Å; F84-V198 HydrophobicContact CE1-CG1 3.63Å; F84-V198 HydrophobicContact CZ-CB 4.25Å; F84-V198 HydrophobicContact CZ-CG1 3.68Å; F84-C199 WeakPolarHBondContact CZ-SG 3.37Å
85P97.4Very high95.3Very high7 Ų729.6 Ų29.65%0.04518%0.18CC..Hα-helixtrans-56.6-40.7176.2-24.633.9000113.5E81 V88 S89 T162 Q164 V198E81-P85 WeakPolarHBondContact O-CD 3.3Å; E81-P85 WeakPolarHBondContact O-CG 3.3Å; P85-V88 PolarHBondContact O-N 3.21Å; P85-S89 PolarHBondContact O-N 2.98Å; P85-T162 HydrophobicContact CB-CG2 4.17Å; P85-Q164 VanDerWaalsContact CG-CD 3.45Å; P85-V198 HydrophobicContact CB-CG2 4.17Å
86L97.7Very high95.1Very high9 Ų926.6 Ų26.65%0.04716%0.159CC..Hα-helixtrans-64.8-43.5176.2-176.858.5000111.2A82 V83 F84 V88 S89 L90 A116 L119 T120 S158 A160 T162A82-L86 VanDerWaalsContact O-CB 3.23Å; A82-L86 WeakPolarHBondContact O-CB 3.25Å; A82-L86 PolarHBondContact O-N 2.93Å; V83-L86 PolarHBondContact O-N 2.73Å; F84-L86 VanDerWaalsContact C-N 3.3Å; F84-L86 PolarHBondContact O-N 2.89Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.05Å; L86-S89 WeakPolarHBondContact O-CB 3.42Å; L86-S89 PolarHBondContact O-N 3.43Å; L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.23Å; L86-L90 PolarHBondContact O-N 3.47Å; L86-A116 HydrophobicContact CB-CB 4.03Å; L86-A116 HydrophobicContact CD2-CB 3.96Å; L86-A116 HydrophobicContact CG-CB 3.96Å; L86-L119 HydrophobicContact CD2-CB 4.4Å; L86-L119 HydrophobicContact CD2-CD1 4.21Å; L86-T120 HydrophobicContact CD2-CG2 3.92Å; L86-S158 WeakPolarHBondContact CD1-O 3.48Å; L86-A160 HydrophobicContact CD1-CB 3.94Å; L86-T162 HydrophobicContact CB-CG2 4.01Å; L86-T162 HydrophobicContact CD1-CG2 4.29Å
87S98.1Very high94.8Very high2 Ų222.7 Ų22.71%0.01415%0.147CC..Hα-helixtrans-59.3-41.7177.680.50000112.1V83 F84 L90 M91 C112V83-S87 WeakPolarHBondContact O-CB 3.49Å; V83-S87 PolarHBondContact O-N 3.29Å; F84-S87 WeakPolarHBondContact O-CB 3.11Å; F84-S87 PolarHBondContact O-N 3.17Å; F84-S87 VanDerWaalsContact O-N 3.11Å; F84-S87 PolarHBondContact O-OG 3.48Å; S87-L90 PolarHBondContact O-N 3.04Å; S87-M91 PolarHBondContact O-N 3.42Å; S87-C112 VanDerWaalsContact O-CB 3.24Å; S87-C112 WeakPolarHBondContact O-CB 3.43Å
88V96.8Very high94.5Very high3 Ų325.5 Ų25.52%0.01815%0.151CC..Hα-helixtrans-70.8-37.8178175.70000111.3A67 F84 P85 L86 L90 M91 D92 V198A67-V88 HydrophobicContact CB-CG2 4.37Å; F84-V88 HydrophobicContact CD2-CG2 4.05Å; F84-V88 HydrophobicContact CE2-CG2 3.41Å; F84-V88 VanDerWaalsContact CE2-CG2 3.41Å; F84-V88 HydrophobicContact CZ-CG2 3.77Å; F84-V88 PolarHBondContact O-N 3.16Å; P85-V88 PolarHBondContact O-N 3.21Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.05Å; V88-L90 PolarHBondContact O-N 3.21Å; V88-M91 HydrophobicContact CG1-CE 4.21Å; V88-M91 PolarHBondContact O-N 2.88Å; V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.5Å; V88-V198 HydrophobicContact CB-CG1 3.55Å; V88-V198 HydrophobicContact CG1-CG1 3.59Å; V88-V198 HydrophobicContact CG2-CG1 3.7Å
89S95.9Very high94Very high23 Ų2325.8 Ų25.816%0.16114%0.138CC..Hα-helixtrans-59.5-44.8172.4-176.40000111.8P85 L86 M91 D92 R93 A160P85-S89 PolarHBondContact O-N 2.98Å; L86-S89 WeakPolarHBondContact O-CB 3.42Å; L86-S89 PolarHBondContact O-N 3.43Å; S89-M91 PolarHBondContact O-N 3.44Å; S89-D92 PolarHBondContact O-N 2.86Å; S89-R93 VanDerWaalsContact O-CB 3.29Å; S89-R93 WeakPolarHBondContact O-CB 3.34Å; S89-R93 WeakPolarHBondContact O-CD 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.49Å; S89-R93 PolarHBondContact O-N 3.34Å; S89-A160 WeakPolarHBondContact OG-CB 3.48Å
90L96.8Very high93.3Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-59.8-45.7175.2-68.9170.3000111.5L86 S87 V88 R93 Y94 C112 I115 A116 L154L86-L90 HydrophobicContact CG-CD1 4.43Å; L86-L90 WeakPolarHBondContact O-CG 3.23Å; L86-L90 PolarHBondContact O-N 3.47Å; S87-L90 PolarHBondContact O-N 3.04Å; V88-L90 PolarHBondContact O-N 3.21Å; L90-R93 PolarHBondContact O-N 2.84Å; L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 PolarHBondContact O-N 2.8Å; L90-C112 HydrophobicContact CB-CB 3.98Å; L90-C112 HydrophobicContact CD1-CB 4.49Å; L90-I115 HydrophobicContact CD1-CB 3.95Å; L90-I115 HydrophobicContact CD1-CG2 3.67Å; L90-A116 HydrophobicContact CD1-CB 4.43Å; L90-L154 HydrophobicContact CB-CD1 4.41Å; L90-L154 HydrophobicContact CD2-CD1 3.37Å
91M95.6Very high92.6Very high7 Ų729.8 Ų29.83%0.03416%0.164CC..Hα-helixtrans-61.1-51.7177.7-179.4-176.565.800111.8R63 I66 S87 V88 S89 R93 Y94 L95 L108 A109R63-M91 HydrophobicContact CG-CE 4.34Å; I66-M91 HydrophobicContact CB-SD 4.48Å; I66-M91 HydrophobicContact CG2-CE 4.36Å; I66-M91 HydrophobicContact CG2-SD 3.58Å; I66-M91 VanDerWaalsContact CG2-SD 3.58Å; S87-M91 PolarHBondContact O-N 3.42Å; V88-M91 HydrophobicContact CG1-CE 4.21Å; V88-M91 PolarHBondContact O-N 2.88Å; S89-M91 PolarHBondContact O-N 3.44Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.92Å; M91-Y94 WeakPolarHBondContact O-CB 3.24Å; M91-Y94 PolarHBondContact O-N 3.47Å; M91-L95 HydrophobicContact CG-CD1 4.06Å; M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.4Å; M91-L95 PolarHBondContact O-N 3.39Å; M91-L108 HydrophobicContact CG-CD2 3.98Å; M91-L108 HydrophobicContact CG-CG 4.29Å; M91-A109 HydrophobicContact SD-CB 4.42Å
92D94.2Very high92Very high11 Ų1126.1 Ų26.16%0.05915%0.148CC..Hα-helixtrans-62.9-37.5-179-75.4-32.6000111.7P48 Y52 R63 V88 S89 S96P48-D92 HydrophobicContact CB-CB 4.43Å; Y52-D92 HydrophobicContact CE1-CB 4.05Å; Y52-D92 PolarHBondContact OH-OD1 2.82Å; R63-D92 IonicContact CZ-OD1 2.73Å; R63-D92 IonicContact CZ-OD2 3.32Å; R63-D92 IonicContact NE-OD1 3.82Å; R63-D92 PolarHBondContact NE-OD1 3.17Å; R63-D92 IonicContact NE-OD2 3.24Å; R63-D92 PolarHBondContact NE-OD2 2.71Å; R63-D92 IonicContact NH2-OD1 3.35Å; R63-D92 IonicContact NH2-OD2 2.62Å; R63-D92 PolarHBondContact NH2-OD2 3.08Å; V88-D92 WeakPolarHBondContact O-CB 3.46Å; V88-D92 PolarHBondContact O-N 3.5Å; S89-D92 PolarHBondContact O-N 2.86Å; D92-S96 WeakPolarHBondContact O-CB 3.25Å; D92-S96 PolarHBondContact O-N 2.96Å; D92-S96 PolarHBondContact O-OG 3.42Å
93R94Very high91.3Very high27 Ų2733 Ų3310%0.10219%0.188CC..Hα-helixtrans-70.9-39.5176.1-71.1170.862.4-147-3.2112.3S89 L90 M91 S96 A97 L154 D157S89-R93 VanDerWaalsContact O-CB 3.29Å; S89-R93 WeakPolarHBondContact O-CB 3.34Å; S89-R93 WeakPolarHBondContact O-CD 3.23Å; S89-R93 WeakPolarHBondContact O-CG 3.49Å; S89-R93 PolarHBondContact O-N 3.34Å; L90-R93 PolarHBondContact O-N 2.84Å; M91-R93 VanDerWaalsContact C-N 3.31Å; M91-R93 PolarHBondContact O-N 2.92Å; R93-S96 WeakPolarHBondContact O-CB 3.46Å; R93-S96 PolarHBondContact O-N 3.25Å; R93-A97 PolarHBondContact O-N 3.42Å; R93-L154 HydrophobicContact CB-CD2 3.67Å; R93-D157 PolarHBondContact NH1-O 2.92Å; R93-D157 PolarHBondContact NH2-O 3.15Å; R93-D157 IonicContact NH2-OD2 2.98Å
94Y93.6Very high90.9Very high17 Ų1734.7 Ų34.77%0.06720%0.201CC..Hα-helixtrans-58.9-49.8172.8172.7-90.5000110.9L90 M91 S96 A97 Y98 L108 V149 V150 A153L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.42Å; L90-Y94 PolarHBondContact O-N 2.8Å; M91-Y94 WeakPolarHBondContact O-CB 3.24Å; M91-Y94 PolarHBondContact O-N 3.47Å; Y94-S96 PolarHBondContact O-N 3.28Å; Y94-A97 PolarHBondContact O-N 2.99Å; Y94-Y98 HydrophobicContact CD1-CD2 4.44Å; Y94-Y98 AromaticContact CD2-CD2 3.82Å; Y94-Y98 HydrophobicContact CD2-CD2 3.82Å; Y94-Y98 AromaticContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CE1-CD2 4.09Å; Y94-Y98 AromaticContact CE2-CD2 3.42Å; Y94-Y98 HydrophobicContact CE2-CD2 3.42Å; Y94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-Y98 AromaticContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CG-CD2 4.32Å; Y94-Y98 AromaticContact CZ-CD2 3.56Å; Y94-Y98 AromaticContact CZ-CE2 3.78Å; Y94-Y98 PolarHBondContact O-N 2.87Å; Y94-Y98 VanDerWaalsContact O-N 3.15Å; Y94-L108 HydrophobicContact CD1-CD1 3.55Å; Y94-L108 HydrophobicContact CD1-CD2 3.6Å; Y94-L108 HydrophobicContact CD1-CG 4.24Å; Y94-L108 HydrophobicContact CD2-CD1 4.36Å; Y94-L108 HydrophobicContact CE1-CD1 3.85Å; Y94-L108 HydrophobicContact CE1-CD2 3.9Å; Y94-L108 HydrophobicContact CG-CD1 3.84Å; Y94-V149 HydrophobicContact CE2-CG1 3.65Å; Y94-V150 HydrophobicContact CD2-CB 4.39Å; Y94-V150 HydrophobicContact CD2-CG2 3.94Å; Y94-V150 HydrophobicContact CE2-CG2 4.28Å; Y94-V150 HydrophobicContact CG-CG2 4.38Å; Y94-A153 HydrophobicContact CD2-CB 3.68Å; Y94-A153 HydrophobicContact CE2-CB 4.05Å
95L91.9Very high90.7Very high4 Ų435.6 Ų35.62%0.02121%0.207CC..Hα-helixtrans-66.1-29.2178.4-64.9173.3000112.1Y52 M91 L99 L101 L108Y52-L95 HydrophobicContact CD2-CB 3.69Å; Y52-L95 HydrophobicContact CE2-CB 3.32Å; Y52-L95 HydrophobicContact CE2-CD1 3.81Å; Y52-L95 HydrophobicContact CE2-CG 4.2Å; M91-L95 HydrophobicContact CG-CD1 4.06Å; M91-L95 VanDerWaalsContact O-CG 3.32Å; M91-L95 WeakPolarHBondContact O-CG 3.4Å; M91-L95 PolarHBondContact O-N 3.39Å; L95-L99 WeakPolarHBondContact O-CA 3.45Å; L95-L99 PolarHBondContact O-N 3.18Å; L95-L101 HydrophobicContact CD1-CD1 4.27Å; L95-L101 HydrophobicContact CD2-CD1 3.93Å; L95-L108 HydrophobicContact CD2-CD2 3.89Å; L95-L108 HydrophobicContact CG-CD2 4.12Å
96S91.3Very high90.6Very high21 Ų2139 Ų3915%0.14722%0.221CC..Hα-helixtrans-67.9-31.6171-63.40000113.9S49 Y52 D92 R93 Y94S49-S96 PolarHBondContact N-OG 2.87Å; Y52-S96 VanDerWaalsContact CB-OG 3.25Å; Y52-S96 WeakPolarHBondContact CB-OG 3.17Å; D92-S96 WeakPolarHBondContact O-CB 3.25Å; D92-S96 PolarHBondContact O-N 2.96Å; D92-S96 PolarHBondContact O-OG 3.42Å; R93-S96 WeakPolarHBondContact O-CB 3.46Å; R93-S96 PolarHBondContact O-N 3.25Å; Y94-S96 PolarHBondContact O-N 3.28Å
97A89.8Confident90.6Very high61 Ų6138.7 Ų38.750%0.50422%0.22SC..Hα-helixtrans-78.4-41.6179.900000112.6R93 Y94R93-A97 PolarHBondContact O-N 3.42Å; Y94-A97 PolarHBondContact O-N 2.99Å
98Y86.6Confident90.5Very high109 Ų10938.7 Ų38.743%0.42722%0.22SC..Hα-helixtrans-95.7-22.1-176-71.9-75.6000114.9Y94 S100 A153Y94-Y98 HydrophobicContact CD1-CD2 4.44Å; Y94-Y98 AromaticContact CD2-CD2 3.82Å; Y94-Y98 HydrophobicContact CD2-CD2 3.82Å; Y94-Y98 AromaticContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CD2-CE2 3.74Å; Y94-Y98 HydrophobicContact CE1-CD2 4.09Å; Y94-Y98 AromaticContact CE2-CD2 3.42Å; Y94-Y98 HydrophobicContact CE2-CD2 3.42Å; Y94-Y98 VanDerWaalsContact CE2-CD2 3.42Å; Y94-Y98 AromaticContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CE2-CE2 3.23Å; Y94-Y98 HydrophobicContact CG-CD2 4.32Å; Y94-Y98 AromaticContact CZ-CD2 3.56Å; Y94-Y98 AromaticContact CZ-CE2 3.78Å; Y94-Y98 PolarHBondContact O-N 2.87Å; Y94-Y98 VanDerWaalsContact O-N 3.15Å; Y98-S100 PolarHBondContact O-N 3.23Å; Y98-A153 HydrophobicContact CD2-CB 4.24Å; Y98-A153 HydrophobicContact CE2-CB 3.28Å
99L82.8Confident90.5Very high65 Ų6538.7 Ų38.734%0.3422%0.22SC..  trans51.540.3-175.6-55.9174.2000112.3L51 L55 I56 L95L51-L99 HydrophobicContact CB-CD2 4.21Å; L55-L99 HydrophobicContact CD1-CD1 4.1Å; I56-L99 HydrophobicContact CD1-CB 4.31Å; I56-L99 WeakPolarHBondContact CD1-O 3.25Å; I56-L99 HydrophobicContact CG1-CD2 4.37Å; L95-L99 WeakPolarHBondContact O-CA 3.45Å; L95-L99 PolarHBondContact O-N 3.18Å
100S79.7Confident90.7Very high61 Ų6137.6 Ų37.643%0.42721%0.212SC..SBendtrans-153.5139173.563.20000110.3Y98Y98-S100 PolarHBondContact O-N 3.23Å
101L78.2Confident90.7Very high77 Ų7737.6 Ų37.640%0.40321%0.212SC..  trans-76.3131.7171-159.973.6000109.1L95 P105L95-L101 HydrophobicContact CD1-CD1 4.27Å; L95-L101 HydrophobicContact CD2-CD1 3.93Å; L101-P105 HydrophobicContact CD1-CB 4.3Å; L101-P105 HydrophobicContact CD1-CG 4.39Å; L101-P105 HydrophobicContact CD2-CB 4.23Å; L101-P105 HydrophobicContact CD2-CG 3.54Å; L101-P105 HydrophobicContact CG-CB 4.28Å; L101-P105 HydrophobicContact CG-CG 3.85Å
102P81Confident90.8Very high23 Ų2337.2 Ų37.215%0.14921%0.211CC..  trans-66.3161.6174.228-32.5000110.6S104 L108 M146P102-S104 PolarHBondContact O-N 3.1Å; P102-L108 HydrophobicContact CG-CB 3.8Å; P102-L108 HydrophobicContact CG-CD2 3.82Å; P102-L108 HydrophobicContact CG-CG 4.37Å; P102-M146 HydrophobicContact CB-CE 4.28Å
103V79.7Confident91Very high158 Ų15836.7 Ų36.796%0.95821%0.208SC*.SBendtrans-56.7-33.1178179.50000111.7
104S90Very high91.2Very high37 Ų3735.8 Ų35.826%0.25921%0.205SC..  trans-118.995.4173.9-175.50000111.2P102 C107 L108P102-S104 PolarHBondContact O-N 3.1Å; S104-C107 PolarHBondContact O-N 3.03Å; S104-C107 WeakPolarHBondContact OG-CB 3.35Å; S104-C107 PolarHBondContact OG-N 2.94Å; S104-L108 PolarHBondContact O-N 3.11Å
105P92.8Very high91.5Very high26 Ų2635.2 Ų35.217%0.16920%0.203CC..Hα-helixtrans-66.7-34.7178.3-19.732.1000113.2I66 L101 L108 A109I66-P105 HydrophobicContact CD1-CB 3.52Å; I66-P105 HydrophobicContact CG1-CB 4.27Å; L101-P105 HydrophobicContact CD1-CB 4.3Å; L101-P105 HydrophobicContact CD1-CG 4.39Å; L101-P105 HydrophobicContact CD2-CB 4.23Å; L101-P105 HydrophobicContact CD2-CG 3.54Å; L101-P105 HydrophobicContact CG-CB 4.28Å; L101-P105 HydrophobicContact CG-CG 3.85Å; P105-L108 WeakPolarHBondContact O-CB 3.47Å; P105-L108 PolarHBondContact O-N 3.35Å; P105-A109 PolarHBondContact O-N 2.74Å
106F95.8Very high91.7Very high77 Ų7735 Ų3534%0.33820%0.202SC..Hα-helixtrans-69.2-34.9176-67.5-81.3000112W69 L108 A109 A110 F138W69-F106 HydrophobicContact CB-CD1 4.3Å; W69-F106 HydrophobicContact CB-CE1 3.81Å; W69-F106 AromaticContact CD2-CD1 3.54Å; W69-F106 HydrophobicContact CD2-CD1 3.54Å; W69-F106 AromaticContact CD2-CE1 3.98Å; W69-F106 HydrophobicContact CD2-CE1 3.98Å; W69-F106 AromaticContact CE2-CD1 3.97Å; W69-F106 AromaticContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CD1 3.77Å; W69-F106 HydrophobicContact CE3-CE1 4.44Å; W69-F106 AromaticContact CG-CD1 3.77Å; W69-F106 HydrophobicContact CG-CD1 3.77Å; W69-F106 AromaticContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CG-CE1 3.67Å; W69-F106 HydrophobicContact CZ3-CD1 4.39Å; F106-L108 VanDerWaalsContact C-N 3.33Å; F106-A109 PolarHBondContact O-N 2.94Å; F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.37Å; F106-A110 PolarHBondContact O-N 2.78Å; F106-F138 HydrophobicContact CB-CE1 4.33Å
107C97.1Very high92Very high4 Ų434 Ų343%0.02720%0.195CC..Hα-helixtrans-64.7-38.4171.3-1740000111.5S104 G111 F138 M146S104-C107 PolarHBondContact O-N 3.03Å; S104-C107 WeakPolarHBondContact OG-CB 3.35Å; S104-C107 PolarHBondContact OG-N 2.94Å; C107-G111 PolarHBondContact O-N 2.83Å; C107-F138 HydrophobicContact CB-CB 4.19Å; C107-F138 HydrophobicContact CB-CD1 3.62Å; C107-F138 HydrophobicContact CB-CD2 4.48Å; C107-F138 HydrophobicContact CB-CE1 4.07Å; C107-F138 HydrophobicContact CB-CG 3.84Å; C107-M146 WeakPolarHBondContact O-CG 3.33Å
108L97Very high92.3Very high1 Ų135.7 Ų35.71%0.00519%0.191CC..Hα-helixtrans-60.4-50171.9170.466.3000111.7M91 Y94 L95 P102 S104 P105 F106 G111 C112 M146 V150M91-L108 HydrophobicContact CG-CD2 3.98Å; M91-L108 HydrophobicContact CG-CG 4.29Å; Y94-L108 HydrophobicContact CD1-CD1 3.55Å; Y94-L108 HydrophobicContact CD1-CD2 3.6Å; Y94-L108 HydrophobicContact CD1-CG 4.24Å; Y94-L108 HydrophobicContact CD2-CD1 4.36Å; Y94-L108 HydrophobicContact CE1-CD1 3.85Å; Y94-L108 HydrophobicContact CE1-CD2 3.9Å; Y94-L108 HydrophobicContact CG-CD1 3.84Å; L95-L108 HydrophobicContact CD2-CD2 3.89Å; L95-L108 HydrophobicContact CG-CD2 4.12Å; P102-L108 HydrophobicContact CG-CB 3.8Å; P102-L108 HydrophobicContact CG-CD2 3.82Å; P102-L108 HydrophobicContact CG-CG 4.37Å; S104-L108 PolarHBondContact O-N 3.11Å; P105-L108 WeakPolarHBondContact O-CB 3.47Å; P105-L108 PolarHBondContact O-N 3.35Å; F106-L108 VanDerWaalsContact C-N 3.33Å; L108-G111 PolarHBondContact O-N 3.45Å; L108-C112 PolarHBondContact O-N 3.48Å; L108-C112 PolarHBondContact O-SG 3.02Å; L108-M146 HydrophobicContact CB-CE 4.3Å; L108-M146 HydrophobicContact CB-SD 4.09Å; L108-M146 HydrophobicContact CD1-SD 3.88Å; L108-V150 HydrophobicContact CD1-CG2 3.49Å; L108-V150 VanDerWaalsContact CD1-CG2 3.49Å
109A97.8Very high92.7Very high3 Ų334.7 Ų34.73%0.02519%0.192CC..Hα-helixtrans-60.4-46.2178.400000111.6I66 W69 M91 P105 F106 G111 C112 I113I66-A109 HydrophobicContact CG2-CB 3.53Å; W69-A109 HydrophobicContact CE3-CB 4.06Å; W69-A109 HydrophobicContact CZ3-CB 3.75Å; M91-A109 HydrophobicContact SD-CB 4.42Å; P105-A109 PolarHBondContact O-N 2.74Å; F106-A109 PolarHBondContact O-N 2.94Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.28Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 3.47Å; A109-C112 VanDerWaalsContact O-N 3.11Å; A109-I113 WeakPolarHBondContact O-CG1 3.41Å; A109-I113 PolarHBondContact O-N 3.45Å
110A98.2Very high93Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-56.8-43.9173.400000112.2W69 F106 C112 I113 L114 L130 F138 L143W69-A110 HydrophobicContact CH2-CB 4.01Å; W69-A110 HydrophobicContact CZ3-CB 4.45Å; F106-A110 VanDerWaalsContact O-CB 3.29Å; F106-A110 WeakPolarHBondContact O-CB 3.37Å; F106-A110 PolarHBondContact O-N 2.78Å; A110-C112 VanDerWaalsContact C-N 3.29Å; A110-C112 PolarHBondContact O-N 3.28Å; A110-I113 PolarHBondContact O-N 3.13Å; A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 2.9Å; A110-L130 HydrophobicContact CB-CB 4.27Å; A110-L130 HydrophobicContact CB-CD1 4.45Å; A110-L130 WeakPolarHBondContact O-CD1 3.39Å; A110-F138 HydrophobicContact CB-CE1 4.35Å; A110-F138 HydrophobicContact CB-CE2 4.07Å; A110-F138 HydrophobicContact CB-CZ 3.54Å; A110-L143 HydrophobicContact CB-CD1 3.55Å
111G97.9Very high93.4Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-62.4-37.817700000112.1C107 L108 A109 L114 I115 L143C107-G111 PolarHBondContact O-N 2.83Å; L108-G111 PolarHBondContact O-N 3.45Å; A109-G111 VanDerWaalsContact C-N 3.32Å; A109-G111 PolarHBondContact O-N 3.28Å; G111-L114 PolarHBondContact O-N 2.93Å; G111-I115 WeakPolarHBondContact O-CD1 3.15Å; G111-I115 VanDerWaalsContact O-CG1 3.28Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.22Å; G111-L143 VanDerWaalsContact N-CD1 3.29Å
112C98.3Very high93.7Very high0 Ų034.8 Ų34.80%020%0.197CC..Hα-helixtrans-69.4-38.6175.4-62.90000112.4S87 L90 L108 A109 A110 I115 A116S87-C112 VanDerWaalsContact O-CB 3.24Å; S87-C112 WeakPolarHBondContact O-CB 3.43Å; L90-C112 HydrophobicContact CB-CB 3.98Å; L90-C112 HydrophobicContact CD1-CB 4.49Å; L108-C112 PolarHBondContact O-N 3.48Å; L108-C112 PolarHBondContact O-SG 3.02Å; A109-C112 WeakPolarHBondContact O-CB 3.49Å; A109-C112 PolarHBondContact O-N 3.47Å; A109-C112 VanDerWaalsContact O-N 3.11Å; A110-C112 VanDerWaalsContact C-N 3.29Å; A110-C112 PolarHBondContact O-N 3.28Å; C112-I115 PolarHBondContact O-N 2.94Å; C112-A116 WeakPolarHBondContact O-CB 3.33Å; C112-A116 PolarHBondContact O-N 3.33Å
113I98.4Very high93.9Very high0 Ų042.1 Ų42.10%023%0.229CC..Hα-helixtrans-62.1-45.9173.1-65.3166000109.9W69 A70 V73 V83 A109 A110 I115 A116 S117 V125 L130W69-I113 HydrophobicContact CZ3-CD1 4.23Å; A70-I113 HydrophobicContact CB-CD1 3.94Å; A70-I113 HydrophobicContact CB-CG1 4.49Å; V73-I113 HydrophobicContact CB-CD1 4.25Å; V73-I113 HydrophobicContact CG1-CD1 4.06Å; V83-I113 HydrophobicContact CG1-CG2 4.3Å; A109-I113 WeakPolarHBondContact O-CG1 3.41Å; A109-I113 PolarHBondContact O-N 3.45Å; A110-I113 PolarHBondContact O-N 3.13Å; I113-I115 VanDerWaalsContact C-N 3.32Å; I113-I115 PolarHBondContact O-N 3.4Å; I113-A116 PolarHBondContact O-N 3.45Å; I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.9Å; I113-V125 HydrophobicContact CG2-CG2 4.5Å; I113-L130 HydrophobicContact CB-CD2 4.29Å; I113-L130 HydrophobicContact CD1-CD2 4.35Å; I113-L130 HydrophobicContact CG2-CD2 3.99Å
114L98Very high94.4Very high8 Ų837.4 Ų37.44%0.04220%0.201CC..Hα-helixtrans-59.9-41178.6-176.362.9000112.4A110 G111 S117 K118 V125 L130 L143A110-L114 WeakPolarHBondContact O-CB 3.46Å; A110-L114 PolarHBondContact O-N 2.9Å; G111-L114 PolarHBondContact O-N 2.93Å; L114-S117 PolarHBondContact O-OG 3.42Å; L114-K118 WeakPolarHBondContact O-CD 3.48Å; L114-K118 VanDerWaalsContact O-CG 3.24Å; L114-K118 WeakPolarHBondContact O-CG 3.48Å; L114-K118 PolarHBondContact O-N 2.9Å; L114-V125 WeakPolarHBondContact CD1-O 3.4Å; L114-L130 HydrophobicContact CB-CD1 3.81Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; L114-L143 HydrophobicContact CD2-CD2 4.27Å; L114-L143 HydrophobicContact CD2-CG 4.15Å
115I98.4Very high94.6Very high5 Ų536.2 Ų36.23%0.02619%0.192CC..Hα-helixtrans-67.6-44.9175.5-67.7162.3000110.3L90 G111 C112 I113 K118 L119 E147 V150 L151L90-I115 HydrophobicContact CD1-CB 3.95Å; L90-I115 HydrophobicContact CD1-CG2 3.67Å; G111-I115 WeakPolarHBondContact O-CD1 3.15Å; G111-I115 VanDerWaalsContact O-CG1 3.28Å; G111-I115 WeakPolarHBondContact O-CG1 3.41Å; G111-I115 PolarHBondContact O-N 3.22Å; C112-I115 PolarHBondContact O-N 2.94Å; I113-I115 VanDerWaalsContact C-N 3.32Å; I113-I115 PolarHBondContact O-N 3.4Å; I115-K118 PolarHBondContact O-N 3.26Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.75Å; I115-E147 HydrophobicContact CD1-CG 4.23Å; I115-E147 HydrophobicContact CG1-CG 3.9Å; I115-V150 HydrophobicContact CD1-CB 3.76Å; I115-V150 HydrophobicContact CD1-CG1 3.56Å; I115-L151 HydrophobicContact CD1-CD2 4.12Å; I115-L151 HydrophobicContact CD1-CG 3.88Å; I115-L151 HydrophobicContact CG1-CD2 4.36Å; I115-L151 HydrophobicContact CG1-CG 4.29Å; I115-L151 HydrophobicContact CG2-CD2 4.06Å
116A98Very high94.7Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-62.8-48.5-178.200000111.9V83 L86 L90 C112 I113 K118 L119 T120V83-A116 HydrophobicContact CG1-CB 4Å; V83-A116 WeakPolarHBondContact O-CB 3.4Å; L86-A116 HydrophobicContact CB-CB 4.03Å; L86-A116 HydrophobicContact CD2-CB 3.96Å; L86-A116 HydrophobicContact CG-CB 3.96Å; L90-A116 HydrophobicContact CD1-CB 4.43Å; C112-A116 WeakPolarHBondContact O-CB 3.33Å; C112-A116 PolarHBondContact O-N 3.33Å; I113-A116 PolarHBondContact O-N 3.45Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.22Å; A116-L119 WeakPolarHBondContact O-CB 3.27Å; A116-L119 PolarHBondContact O-N 3.23Å; A116-T120 PolarHBondContact O-N 2.9Å; A116-T120 VanDerWaalsContact O-N 3.09Å; A116-T120 PolarHBondContact O-OG1 3.34Å
117S96.9Very high94.7Very high0 Ų035.8 Ų35.80%020%0.197CC..Hα-helixtrans-59.2-40.5178.764.70000112.3I113 L114 L119 T120 E121 V125I113-S117 PolarHBondContact O-N 3.14Å; I113-S117 PolarHBondContact O-OG 2.9Å; L114-S117 PolarHBondContact O-OG 3.42Å; S117-L119 PolarHBondContact O-N 3.04Å; S117-T120 PolarHBondContact O-N 2.88Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 WeakPolarHBondContact O-CB 3.23Å; S117-E121 PolarHBondContact O-N 3.15Å; S117-V125 PolarHBondContact OG-N 3.35Å
118K96.3Very high94.7Very high96 Ų9640.4 Ų40.442%0.41722%0.221SC..Hα-helixtrans-62-22.8173.9-74.1172.9-177.9177.50114.6L114 I115 A116 T124 E147L114-K118 WeakPolarHBondContact O-CD 3.48Å; L114-K118 VanDerWaalsContact O-CG 3.24Å; L114-K118 WeakPolarHBondContact O-CG 3.48Å; L114-K118 PolarHBondContact O-N 2.9Å; I115-K118 PolarHBondContact O-N 3.26Å; A116-K118 VanDerWaalsContact C-N 3.3Å; A116-K118 PolarHBondContact O-N 3.22Å; K118-T124 HydrophobicContact CB-CG2 4.32Å; K118-T124 HydrophobicContact CG-CG2 3.88Å; K118-E147 VanDerWaalsContact NZ-CD 3.26Å; K118-E147 IonicContact NZ-OE1 3.46Å; K118-E147 PolarHBondContact NZ-OE1 2.95Å; K118-E147 IonicContact NZ-OE2 2.85Å; K118-E147 PolarHBondContact NZ-OE2 3.28Å; K118-E147 VanDerWaalsContact NZ-OE2 3.11Å
119L94.8Very high94.6Very high87 Ų8742 Ų4246%0.45524%0.235SC..Hα-helixtrans-93.2-28.7-179.8-67.3169.2000112.6L86 I115 A116 S117 S158L86-L119 HydrophobicContact CD2-CB 4.4Å; L86-L119 HydrophobicContact CD2-CD1 4.21Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 2.75Å; A116-L119 WeakPolarHBondContact O-CB 3.27Å; A116-L119 PolarHBondContact O-N 3.23Å; S117-L119 PolarHBondContact O-N 3.04Å; L119-S158 WeakPolarHBondContact CD1-OG 3.33Å
120T89.9Confident94.6Very high51 Ų5141.9 Ų41.931%0.31323%0.234SC..Hα-helixtrans-108.9-21.6-169.753.90000113.9A82 V83 L86 A116 S117A82-T120 HydrophobicContact CB-CG2 4.19Å; V83-T120 WeakPolarHBondContact CG2-OG1 3.38Å; L86-T120 HydrophobicContact CD2-CG2 3.92Å; A116-T120 PolarHBondContact O-N 2.9Å; A116-T120 VanDerWaalsContact O-N 3.09Å; A116-T120 PolarHBondContact O-OG1 3.34Å; S117-T120 PolarHBondContact O-N 2.88Å
121E87.5Confident94.6Very high42 Ų4241.9 Ų41.920%0.19623%0.234CC..  trans-122.8152.7-169-55.6-179.1115.900113C79 D80 V83 S117C79-E121 VanDerWaalsContact CA-OE1 3.23Å; C79-E121 WeakPolarHBondContact CA-OE1 3.42Å; D80-E121 HydrophobicContact CB-CG 4.16Å; D80-E121 PolarHBondContact N-OE1 3.09Å; V83-E121 HydrophobicContact CG2-CG 3.9Å; V83-E121 WeakPolarHBondContact CG2-OE2 3.4Å; S117-E121 WeakPolarHBondContact CB-OE2 3.47Å; S117-E121 WeakPolarHBondContact O-CB 3.23Å; S117-E121 PolarHBondContact O-N 3.15Å
122C83.1Confident94.5Very high113 Ų11345.7 Ų45.776%0.76426%0.257SS*.SBendtrans-77.1-43.5171.6-62.80000111.5
123E86.4Confident94.4Very high176 Ų17647.7 Ų47.782%0.82227%0.274SS*.SBendtrans-100.6103.3175-64.7-166.9171.900109.1
124T89.9Confident94.3Very high59 Ų5948.2 Ų48.236%0.36228%0.278SS..PPolyproline II helixtrans-84.5141.4-17266.70000111.1K118 T126K118-T124 HydrophobicContact CB-CG2 4.32Å; K118-T124 HydrophobicContact CG-CG2 3.88Å; T124-T126 PolarHBondContact O-N 3.21Å
125V94.2Very high94.2Very high13 Ų1356.2 Ų56.28%0.07932%0.315CS..PPolyproline II helixtrans-50.8131.6170.1-174.50000111.1C77 C79 I113 L114 S117 A129 L130C77-V125 HydrophobicContact CB-CG1 4.4Å; C77-V125 HydrophobicContact CB-CG2 4.05Å; C79-V125 WeakPolarHBondContact SG-CG2 3.14Å; I113-V125 HydrophobicContact CG2-CG2 4.5Å; L114-V125 WeakPolarHBondContact CD1-O 3.4Å; S117-V125 PolarHBondContact OG-N 3.35Å; V125-A129 HydrophobicContact CG1-CB 4.43Å; V125-L130 HydrophobicContact CG1-CD1 4.15Å; V125-L130 HydrophobicContact CG1-CD2 3.88Å; V125-L130 HydrophobicContact CG1-CG 3.73Å
126T95.6Very high94Very high78 Ų7862 Ų6248%0.47934%0.34SS..PPolyproline II helixtrans-83.7152-177.869.20000112.1T124 D128 A129 L130T124-T126 PolarHBondContact O-N 3.21Å; T126-D128 PolarHBondContact O-N 2.95Å; T126-A129 PolarHBondContact O-N 3.36Å; T126-A129 VanDerWaalsContact OG1-CB 3.32Å; T126-A129 WeakPolarHBondContact OG1-CB 3.13Å; T126-A129 PolarHBondContact OG1-N 2.95Å; T126-A129 VanDerWaalsContact OG1-N 3.16Å; T126-L130 PolarHBondContact O-N 3.33Å
127A95.8Very high93.9Very high15 Ų1565.8 Ų65.812%0.12437%0.367CS..Hα-helixtrans-59.4-36.4174.400000112.3L130 C131 P140 L143A127-L130 PolarHBondContact O-N 2.97Å; A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.18Å; A127-P140 HydrophobicContact CB-CB 4.37Å; A127-L143 HydrophobicContact CB-CD2 3.85Å
128D96.1Very high93.8Very high101 Ų10166.1 Ų66.154%0.5437%0.369SS..Hα-helixtrans-69.8-37.8-179.9-61.9-52.3000111.9T126 C131 T132 P140T126-D128 PolarHBondContact O-N 2.95Å; D128-C131 PolarHBondContact O-N 2.92Å; D128-T132 WeakPolarHBondContact O-CB 3.44Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.16Å; D128-P140 WeakPolarHBondContact OD1-CG 3.27Å
129A96.3Very high93.8Very high36 Ų3666.3 Ų66.330%0.29837%0.371SS..Hα-helixtrans-60.8-45.4172.700000111.3V125 T126 C131 T132 A133V125-A129 HydrophobicContact CG1-CB 4.43Å; T126-A129 PolarHBondContact O-N 3.36Å; T126-A129 VanDerWaalsContact OG1-CB 3.32Å; T126-A129 WeakPolarHBondContact OG1-CB 3.13Å; T126-A129 PolarHBondContact OG1-N 2.95Å; T126-A129 VanDerWaalsContact OG1-N 3.16Å; A129-C131 PolarHBondContact O-N 3.36Å; A129-T132 WeakPolarHBondContact O-CB 3.1Å; A129-T132 PolarHBondContact O-N 3.44Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.83Å
130L97.4Very high93.9Very high0 Ų063.6 Ų63.60%036%0.358CS..Hα-helixtrans-65.6-38.6177.7-68.4171.2000113V73 A110 I113 L114 V125 T126 A127 T132 A133 A134 L143V73-L130 HydrophobicContact CG1-CD2 3.61Å; A110-L130 HydrophobicContact CB-CB 4.27Å; A110-L130 HydrophobicContact CB-CD1 4.45Å; A110-L130 WeakPolarHBondContact O-CD1 3.39Å; I113-L130 HydrophobicContact CB-CD2 4.29Å; I113-L130 HydrophobicContact CD1-CD2 4.35Å; I113-L130 HydrophobicContact CG2-CD2 3.99Å; L114-L130 HydrophobicContact CB-CD1 3.81Å; L114-L130 HydrophobicContact CD1-CD1 4.34Å; V125-L130 HydrophobicContact CG1-CD1 4.15Å; V125-L130 HydrophobicContact CG1-CD2 3.88Å; V125-L130 HydrophobicContact CG1-CG 3.73Å; T126-L130 PolarHBondContact O-N 3.33Å; A127-L130 PolarHBondContact O-N 2.97Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-A133 PolarHBondContact O-N 2.81Å; L130-A134 WeakPolarHBondContact O-CB 3.49Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.15Å; L130-L143 HydrophobicContact CB-CD2 3.87Å; L130-L143 HydrophobicContact CD1-CD2 3.84Å
131C96.8Very high94.2Very high0 Ų064.6 Ų64.60%037%0.368CS..Hα-helixtrans-66.1-38.7174.4-64.60000111.2A127 D128 A129 A134 E135 F136 F138A127-C131 PolarHBondContact O-N 2.88Å; A127-C131 PolarHBondContact O-SG 3.18Å; D128-C131 PolarHBondContact O-N 2.92Å; A129-C131 PolarHBondContact O-N 3.36Å; C131-A134 CarbonylContact O-C 3.51Å; C131-A134 PolarHBondContact O-N 3.48Å; C131-E135 PolarHBondContact O-N 2.74Å; C131-F136 HydrophobicContact CB-CD1 4.22Å; C131-F136 HydrophobicContact CB-CE1 4.46Å; C131-F136 WeakPolarHBondContact O-CA 3.11Å; C131-F136 PolarHBondContact O-N 2.64Å; C131-F138 HydrophobicContact CB-CE2 4.44Å
132T97.1Very high94.6Very high80 Ų8066.4 Ų66.449%0.49138%0.379SS..Hα-helixtrans-64.2-45.7176.6-56.60000111.1D128 A129 L130 A134 E135 F136D128-T132 WeakPolarHBondContact O-CB 3.44Å; D128-T132 PolarHBondContact O-N 2.98Å; D128-T132 PolarHBondContact O-OG1 3.16Å; A129-T132 WeakPolarHBondContact O-CB 3.1Å; A129-T132 PolarHBondContact O-N 3.44Å; L130-T132 VanDerWaalsContact C-N 3.33Å; T132-A134 PolarHBondContact O-N 2.93Å; T132-E135 PolarHBondContact O-N 3.03Å; T132-F136 HydrophobicContact CG2-CZ 4.5Å
133A95.9Very high95.2Very high41 Ų4161 Ų6134%0.33934%0.342SS..Hα-helixtrans-64.1-22.9177.500000113.7W69 V73 A129 L130W69-A133 PolarHBondContact NE1-O 3.03Å; V73-A133 HydrophobicContact CG1-CB 4.22Å; V73-A133 HydrophobicContact CG2-CB 3.77Å; A129-A133 WeakPolarHBondContact O-CB 3.42Å; A129-A133 PolarHBondContact O-N 2.83Å; L130-A133 PolarHBondContact O-N 2.81Å
134A95.1Very high95.6Very high11 Ų1159.2 Ų59.29%0.09133%0.328CS..THydrogen-bonded Turntrans-97.517.9174.400000113.3W69 L130 C131 T132 F136 S137 F138W69-A134 HydrophobicContact CZ2-CB 3.9Å; L130-A134 WeakPolarHBondContact O-CB 3.49Å; L130-A134 PolarHBondContact O-N 3.37Å; L130-A134 VanDerWaalsContact O-N 3.15Å; C131-A134 CarbonylContact O-C 3.51Å; C131-A134 PolarHBondContact O-N 3.48Å; T132-A134 PolarHBondContact O-N 2.93Å; A134-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact O-N 3.11Å; A134-S137 VanDerWaalsContact O-CB 3.28Å; A134-S137 WeakPolarHBondContact O-CB 3.25Å; A134-S137 PolarHBondContact O-N 3.47Å; A134-S137 PolarHBondContact O-OG 3.28Å; A134-F138 HydrophobicContact CB-CD1 4.07Å; A134-F138 HydrophobicContact CB-CE1 3.2Å; A134-F138 HydrophobicContact CB-CE2 4.34Å; A134-F138 HydrophobicContact CB-CZ 3.36Å
135E96.2Very high96Very high177 Ų17761.1 Ų61.183%0.82733%0.333SS*.THydrogen-bonded Turntrans50.236.8-179-60.2-179.2-16600113.3C131 T132 S137C131-E135 PolarHBondContact O-N 2.74Å; T132-E135 PolarHBondContact O-N 3.03Å; E135-S137 PolarHBondContact O-N 2.86Å; E135-S137 VanDerWaalsContact O-N 3.16Å
136F94.9Very high96.1Very high125 Ų12561.8 Ų61.855%0.54834%0.335SS..THydrogen-bonded Turntrans57.125.6-178-54.1-81.2000114.9C131 T132 A134 F138C131-F136 HydrophobicContact CB-CD1 4.22Å; C131-F136 HydrophobicContact CB-CE1 4.46Å; C131-F136 WeakPolarHBondContact O-CA 3.11Å; C131-F136 PolarHBondContact O-N 2.64Å; T132-F136 HydrophobicContact CG2-CZ 4.5Å; A134-F136 PolarHBondContact O-N 3.4Å; A134-F136 VanDerWaalsContact O-N 3.11Å; F136-F138 PolarHBondContact O-N 3.01Å; F136-F138 VanDerWaalsContact O-N 3.11Å
137S94.9Very high96.1Very high81 Ų8159.5 Ų59.557%0.56632%0.319SS*.SBendtrans-61.5-15.1172.960.30000113.9A134 E135A134-S137 VanDerWaalsContact O-CB 3.28Å; A134-S137 WeakPolarHBondContact O-CB 3.25Å; A134-S137 PolarHBondContact O-N 3.47Å; A134-S137 PolarHBondContact O-OG 3.28Å; E135-S137 PolarHBondContact O-N 2.86Å; E135-S137 VanDerWaalsContact O-N 3.16Å
138F95.8Very high96.2Very high7 Ų765.5 Ų65.53%0.03134%0.339CS..SBendtrans-142.7160.2169.451.8-97.4000110F106 C107 A110 C131 A134 F136 D142 L143F106-F138 HydrophobicContact CB-CE1 4.33Å; C107-F138 HydrophobicContact CB-CB 4.19Å; C107-F138 HydrophobicContact CB-CD1 3.62Å; C107-F138 HydrophobicContact CB-CD2 4.48Å; C107-F138 HydrophobicContact CB-CE1 4.07Å; C107-F138 HydrophobicContact CB-CG 3.84Å; A110-F138 HydrophobicContact CB-CE1 4.35Å; A110-F138 HydrophobicContact CB-CE2 4.07Å; A110-F138 HydrophobicContact CB-CZ 3.54Å; C131-F138 HydrophobicContact CB-CE2 4.44Å; A134-F138 HydrophobicContact CB-CD1 4.07Å; A134-F138 HydrophobicContact CB-CE1 3.2Å; A134-F138 HydrophobicContact CB-CE2 4.34Å; A134-F138 HydrophobicContact CB-CZ 3.36Å; F136-F138 PolarHBondContact O-N 3.01Å; F136-F138 VanDerWaalsContact O-N 3.11Å; F138-D142 HydrophobicContact CB-CB 4.22Å; F138-L143 HydrophobicContact CD2-CB 4.37Å; F138-L143 HydrophobicContact CE2-CB 4.45Å; F138-L143 HydrophobicContact CE2-CD1 4.32Å; F138-L143 HydrophobicContact CE2-CD2 4.37Å
139Q96.2Very high96.2Very high99 Ų9962.8 Ų62.846%0.46333%0.325SS..  trans-97.5161.1-179.9-61.2-62.4-57.200111.7S141 D142 L143Q139-S141 PolarHBondContact O-N 3.44Å; Q139-S141 VanDerWaalsContact O-N 3.11Å; Q139-D142 WeakPolarHBondContact CB-OD2 3.4Å; Q139-D142 PolarHBondContact N-OD2 3.05Å; Q139-D142 WeakPolarHBondContact O-CB 3.46Å; Q139-D142 PolarHBondContact O-N 3.01Å; Q139-L143 PolarHBondContact O-N 3.01Å; Q139-L143 VanDerWaalsContact O-N 3.11Å
140P96.5Very high96.2Very high30 Ų3061 Ų6120%0.19531%0.311CS..Hα-helixtrans-57.1-28.1175.5-27.335.1000113.9A127 D128 R144A127-P140 HydrophobicContact CB-CB 4.37Å; D128-P140 WeakPolarHBondContact OD1-CG 3.27Å; P140-R144 VanDerWaalsContact O-CG 3.26Å; P140-R144 WeakPolarHBondContact O-CG 3.45Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.1Å
141S96.3Very high96.2Very high73 Ų7361.9 Ų61.951%0.5132%0.316SS..Hα-helixtrans-65.9-41.8173.350.70000112.6Q139 L143 R144 E145Q139-S141 PolarHBondContact O-N 3.44Å; Q139-S141 VanDerWaalsContact O-N 3.11Å; S141-L143 VanDerWaalsContact C-N 3.32Å; S141-R144 PolarHBondContact O-N 2.86Å; S141-E145 PolarHBondContact O-N 3.28Å
142D95.6Very high96.2Very high79 Ų7965 Ų6542%0.42234%0.341SS..Hα-helixtrans-66.7-41.2179.8-53.1-34.7000109.7F138 Q139 E145 M146F138-D142 HydrophobicContact CB-CB 4.22Å; Q139-D142 WeakPolarHBondContact CB-OD2 3.4Å; Q139-D142 PolarHBondContact N-OD2 3.05Å; Q139-D142 WeakPolarHBondContact O-CB 3.46Å; Q139-D142 PolarHBondContact O-N 3.01Å; D142-E145 PolarHBondContact O-N 2.8Å; D142-M146 WeakPolarHBondContact O-CB 3.45Å; D142-M146 PolarHBondContact O-N 3.24Å
143L96.4Very high96.1Very high0 Ų062.1 Ų62.10%033%0.325CS..Hα-helixtrans-63.6-42.6177.4-173.960.9000112.5A110 G111 L114 A127 L130 F138 Q139 S141 E145 M146 E147A110-L143 HydrophobicContact CB-CD1 3.55Å; G111-L143 VanDerWaalsContact N-CD1 3.29Å; L114-L143 HydrophobicContact CD2-CD2 4.27Å; L114-L143 HydrophobicContact CD2-CG 4.15Å; A127-L143 HydrophobicContact CB-CD2 3.85Å; L130-L143 HydrophobicContact CB-CD2 3.87Å; L130-L143 HydrophobicContact CD1-CD2 3.84Å; F138-L143 HydrophobicContact CD2-CB 4.37Å; F138-L143 HydrophobicContact CE2-CB 4.45Å; F138-L143 HydrophobicContact CE2-CD1 4.32Å; F138-L143 HydrophobicContact CE2-CD2 4.37Å; Q139-L143 PolarHBondContact O-N 3.01Å; Q139-L143 VanDerWaalsContact O-N 3.11Å; S141-L143 VanDerWaalsContact C-N 3.32Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.17Å; L143-M146 PolarHBondContact O-N 3.44Å; L143-E147 PolarHBondContact O-N 3.06Å
144R95.9Very high96Very high139 Ų13961 Ų6153%0.52531%0.314SS..Hα-helixtrans-64.2-35174.8-72.9169.6-175.3171.33.9112.2P140 S141 R148P140-R144 VanDerWaalsContact O-CG 3.26Å; P140-R144 WeakPolarHBondContact O-CG 3.45Å; P140-R144 PolarHBondContact O-N 3.42Å; P140-R144 VanDerWaalsContact O-N 3.1Å; S141-R144 PolarHBondContact O-N 2.86Å; R144-R148 WeakPolarHBondContact O-CG 3.33Å; R144-R148 PolarHBondContact O-N 2.95Å
145E96.3Very high96.1Very high99 Ų9970.9 Ų70.946%0.46335%0.349SS..Hα-helixtrans-72-42.1175.6-168.756.6-157.100111.4S141 D142 L143 E147 R148 V149S141-E145 PolarHBondContact O-N 3.28Å; D142-E145 PolarHBondContact O-N 2.8Å; L143-E145 VanDerWaalsContact C-N 3.29Å; L143-E145 PolarHBondContact O-N 3.17Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.01Å; E145-R148 WeakPolarHBondContact O-CB 3.42Å; E145-R148 PolarHBondContact O-N 3.27Å; E145-R148 VanDerWaalsContact O-N 3.12Å; E145-R148 IonicContact OE2-CZ 3.85Å; E145-R148 IonicContact OE2-NH1 2.95Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; E145-V149 WeakPolarHBondContact O-CG2 3.25Å; E145-V149 PolarHBondContact O-N 3.46Å
146M96.6Very high96.1Very high26 Ų2671.7 Ų71.713%0.12834%0.344CS..Hα-helixtrans-58.7-42.3174.2-174.258.270.100111.8P102 C107 L108 D142 L143 R148 V149 V150P102-M146 HydrophobicContact CB-CE 4.28Å; C107-M146 WeakPolarHBondContact O-CG 3.33Å; L108-M146 HydrophobicContact CB-CE 4.3Å; L108-M146 HydrophobicContact CB-SD 4.09Å; L108-M146 HydrophobicContact CD1-SD 3.88Å; D142-M146 WeakPolarHBondContact O-CB 3.45Å; D142-M146 PolarHBondContact O-N 3.24Å; L143-M146 PolarHBondContact O-N 3.44Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.4Å; M146-V149 PolarHBondContact O-N 2.86Å; M146-V150 HydrophobicContact CG-CG2 4.4Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.43Å; M146-V150 HydrophobicContact SD-CG2 4.24Å
147E97Very high96.2Very high30 Ų3067.4 Ų67.414%0.1433%0.327CS..Hα-helixtrans-54.3-48.6173.1169173.1-122.200111.8I115 K118 L143 E145 V149 V150 L151I115-E147 HydrophobicContact CD1-CG 4.23Å; I115-E147 HydrophobicContact CG1-CG 3.9Å; K118-E147 VanDerWaalsContact NZ-CD 3.26Å; K118-E147 IonicContact NZ-OE1 3.46Å; K118-E147 PolarHBondContact NZ-OE1 2.95Å; K118-E147 IonicContact NZ-OE2 2.85Å; K118-E147 PolarHBondContact NZ-OE2 3.28Å; K118-E147 VanDerWaalsContact NZ-OE2 3.11Å; L143-E147 PolarHBondContact O-N 3.06Å; E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 3.01Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.21Å; E147-V150 PolarHBondContact O-N 2.76Å; E147-L151 HydrophobicContact CG-CD1 3.87Å; E147-L151 WeakPolarHBondContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.2Å; E147-L151 PolarHBondContact O-N 3.46Å
148R96.8Very high96.2Very high141 Ų14164.2 Ų64.253%0.53231%0.305SS..Hα-helixtrans-62.6-42.7177.9-66.9179.2-168.9107.39.4111.9R144 E145 M146 L151 A152R144-R148 WeakPolarHBondContact O-CG 3.33Å; R144-R148 PolarHBondContact O-N 2.95Å; E145-R148 WeakPolarHBondContact O-CB 3.42Å; E145-R148 PolarHBondContact O-N 3.27Å; E145-R148 VanDerWaalsContact O-N 3.12Å; E145-R148 IonicContact OE2-CZ 3.85Å; E145-R148 IonicContact OE2-NH1 2.95Å; E145-R148 PolarHBondContact OE2-NH1 2.8Å; M146-R148 VanDerWaalsContact C-N 3.34Å; M146-R148 PolarHBondContact O-N 3.4Å; R148-L151 PolarHBondContact O-N 3.06Å; R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 2.87Å
149V95.9Very high96.1Very high44 Ų4467 Ų6727%0.26733%0.329SS..Hα-helixtrans-61.9-46.2179.3166.10000110.6Y94 E145 M146 E147 A152 A153Y94-V149 HydrophobicContact CE2-CG1 3.65Å; E145-V149 WeakPolarHBondContact O-CG2 3.25Å; E145-V149 PolarHBondContact O-N 3.46Å; M146-V149 PolarHBondContact O-N 2.86Å; E147-V149 VanDerWaalsContact C-N 3.34Å; E147-V149 PolarHBondContact O-N 3.21Å; V149-A152 PolarHBondContact O-N 3.38Å; V149-A153 WeakPolarHBondContact O-CB 3.32Å; V149-A153 PolarHBondContact O-N 3.19Å
150V96.9Very high96Very high0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-62.8-48.5176.6173.60000111.4Y94 L108 I115 M146 E147 A152 A153 L154Y94-V150 HydrophobicContact CD2-CB 4.39Å; Y94-V150 HydrophobicContact CD2-CG2 3.94Å; Y94-V150 HydrophobicContact CE2-CG2 4.28Å; Y94-V150 HydrophobicContact CG-CG2 4.38Å; L108-V150 HydrophobicContact CD1-CG2 3.49Å; L108-V150 VanDerWaalsContact CD1-CG2 3.49Å; I115-V150 HydrophobicContact CD1-CB 3.76Å; I115-V150 HydrophobicContact CD1-CG1 3.56Å; M146-V150 HydrophobicContact CG-CG2 4.4Å; M146-V150 WeakPolarHBondContact O-CG2 3.27Å; M146-V150 PolarHBondContact O-N 3.43Å; M146-V150 HydrophobicContact SD-CG2 4.24Å; E147-V150 PolarHBondContact O-N 2.76Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.47Å; V150-A153 VanDerWaalsContact O-CB 3.32Å; V150-A153 WeakPolarHBondContact O-CB 3.32Å; V150-A153 PolarHBondContact O-N 3.02Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 WeakPolarHBondContact O-CG 3.17Å; V150-L154 PolarHBondContact O-N 3.45Å
151L97.6Very high96Very high18 Ų1861.6 Ų61.69%0.09430%0.303CS..Hα-helixtrans-62.8-40.8179.4-70.9170.1000112.2I115 E147 R148 L154 R155 W156I115-L151 HydrophobicContact CD1-CD2 4.12Å; I115-L151 HydrophobicContact CD1-CG 3.88Å; I115-L151 HydrophobicContact CG1-CD2 4.36Å; I115-L151 HydrophobicContact CG1-CG 4.29Å; I115-L151 HydrophobicContact CG2-CD2 4.06Å; E147-L151 HydrophobicContact CG-CD1 3.87Å; E147-L151 WeakPolarHBondContact O-CB 3.26Å; E147-L151 WeakPolarHBondContact O-CG 3.2Å; E147-L151 PolarHBondContact O-N 3.46Å; R148-L151 PolarHBondContact O-N 3.06Å; L151-L154 PolarHBondContact O-N 3.26Å; L151-R155 PolarHBondContact O-N 2.97Å; L151-W156 HydrophobicContact CB-CD2 4.4Å; L151-W156 HydrophobicContact CD1-CE3 4.33Å; L151-W156 HydrophobicContact CD1-CH2 4.12Å; L151-W156 HydrophobicContact CD1-CZ3 3.91Å; L151-W156 HydrophobicContact CD2-CE3 4.28Å; L151-W156 PolarHBondContact O-N 3.48Å
152A96.6Very high96Very high64 Ų6458.4 Ų58.453%0.52928%0.28SS..Hα-helixtrans-64.3-43.3176.300000111.7R148 V149 V150 L154 R155R148-A152 WeakPolarHBondContact O-CB 3.39Å; R148-A152 PolarHBondContact O-N 2.87Å; V149-A152 PolarHBondContact O-N 3.38Å; V150-A152 VanDerWaalsContact C-N 3.35Å; V150-A152 PolarHBondContact O-N 3.47Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.4Å; A152-R155 VanDerWaalsContact O-N 3.1Å
153A94.5Very high96.1Very high20 Ų2055 Ų5517%0.16526%0.263CS..Hα-helixtrans-56.4-46.1176.900000112.5Y94 Y98 V149 V150 R155Y94-A153 HydrophobicContact CD2-CB 3.68Å; Y94-A153 HydrophobicContact CE2-CB 4.05Å; Y98-A153 HydrophobicContact CD2-CB 4.24Å; Y98-A153 HydrophobicContact CE2-CB 3.28Å; V149-A153 WeakPolarHBondContact O-CB 3.32Å; V149-A153 PolarHBondContact O-N 3.19Å; V150-A153 VanDerWaalsContact O-CB 3.32Å; V150-A153 WeakPolarHBondContact O-CB 3.32Å; V150-A153 PolarHBondContact O-N 3.02Å; A153-R155 PolarHBondContact O-N 3.09Å
154L95.2Very high96Very high17 Ų1755.6 Ų55.69%0.08927%0.266CS..THydrogen-bonded Turntrans-85.52-177.8-58.7-179.2000112.3L90 R93 V150 L151 A152 W156 D157L90-L154 HydrophobicContact CB-CD1 4.41Å; L90-L154 HydrophobicContact CD2-CD1 3.37Å; R93-L154 HydrophobicContact CB-CD2 3.67Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 WeakPolarHBondContact O-CG 3.17Å; V150-L154 PolarHBondContact O-N 3.45Å; L151-L154 PolarHBondContact O-N 3.26Å; A152-L154 VanDerWaalsContact C-N 3.31Å; A152-L154 PolarHBondContact O-N 2.97Å; L154-W156 PolarHBondContact O-N 3.01Å; L154-D157 WeakPolarHBondContact O-CB 3.29Å; L154-D157 PolarHBondContact O-N 3.37Å
155R95.9Very high95.9Very high220 Ų22051.9 Ų51.983%0.8326%0.256SS*.THydrogen-bonded Turntrans51.240.5-176.3-53.8-178.4177.9-149.8-1112.2L151 A152 A153 D157L151-R155 PolarHBondContact O-N 2.97Å; A152-R155 PolarHBondContact O-N 3.4Å; A152-R155 VanDerWaalsContact O-N 3.1Å; A153-R155 PolarHBondContact O-N 3.09Å; R155-D157 PolarHBondContact O-N 3.46Å
156W96.6Very high95.9Very high193 Ų19347.2 Ų47.273%0.73123%0.234SC*.THydrogen-bonded Turntrans62.911.7-176.7-58.879.6000115.2L151 L154 S158L151-W156 HydrophobicContact CB-CD2 4.4Å; L151-W156 HydrophobicContact CD1-CE3 4.33Å; L151-W156 HydrophobicContact CD1-CH2 4.12Å; L151-W156 HydrophobicContact CD1-CZ3 3.91Å; L151-W156 HydrophobicContact CD2-CE3 4.28Å; L151-W156 PolarHBondContact O-N 3.48Å; L154-W156 PolarHBondContact O-N 3.01Å; W156-S158 PolarHBondContact O-N 3.27Å
157D96.2Very high95.8Very high35 Ų3546 Ų4619%0.18723%0.228CC..  trans-80.766.6173.1-168.713.3000110.3R45 Y46 R93 L154 R155R45-D157 IonicContact CZ-OD2 3.84Å; R45-D157 VanDerWaalsContact CZ-OD2 3.23Å; R45-D157 IonicContact NE-OD2 3.82Å; R45-D157 PolarHBondContact NE-OD2 3.48Å; R45-D157 IonicContact NH2-OD1 3.23Å; R45-D157 IonicContact NH2-OD2 3.87Å; R45-D157 PolarHBondContact NH2-OD2 3.12Å; Y46-D157 PolarHBondContact OH-OD1 3.49Å; R93-D157 PolarHBondContact NH1-O 2.92Å; R93-D157 PolarHBondContact NH2-O 3.15Å; R93-D157 IonicContact NH2-OD2 2.98Å; L154-D157 WeakPolarHBondContact O-CB 3.29Å; L154-D157 PolarHBondContact O-N 3.37Å; R155-D157 PolarHBondContact O-N 3.46Å
158S95.1Very high95.5Very high14 Ų1445.5 Ų45.510%0.09823%0.228CC..  trans-94.8-17.7-170.6540000114.8L86 L119 W156 A160L86-S158 WeakPolarHBondContact CD1-O 3.48Å; L119-S158 WeakPolarHBondContact CD1-OG 3.33Å; W156-S158 PolarHBondContact O-N 3.27Å; S158-A160 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact O-N 3.11Å
159A93.9Very high95.2Very high65 Ų6539.4 Ų39.454%0.53721%0.205SC..  trans-87.472.1-178.700000111.5Y46Y46-A159 PolarHBondContact OH-O 3Å
160A94.8Very high95Very high7 Ų737.3 Ų37.36%0.05819%0.192CC..  trans-73.1149.3175.500000111.6Y46 L86 S89 S158Y46-A160 HydrophobicContact CD1-CB 3.77Å; Y46-A160 HydrophobicContact CD2-CB 4.15Å; Y46-A160 HydrophobicContact CE1-CB 4.31Å; Y46-A160 HydrophobicContact CG-CB 3.68Å; L86-A160 HydrophobicContact CD1-CB 3.94Å; S89-A160 WeakPolarHBondContact OG-CB 3.48Å; S158-A160 PolarHBondContact O-N 3.21Å; S158-A160 VanDerWaalsContact O-N 3.11Å
161V95.8Very high94.6Very high10 Ų1037.7 Ų37.76%0.06119%0.194CC..  trans-72.7132.4170.8177.60000109.6L39 L42 E43 Y46 D165 F166 P208L39-V161 HydrophobicContact CB-CG1 4.42Å; L39-V161 HydrophobicContact CD2-CG1 4.2Å; L39-V161 HydrophobicContact CD2-CG2 4.1Å; L42-V161 HydrophobicContact CB-CG2 3.75Å; L42-V161 HydrophobicContact CD1-CG2 4.5Å; E43-V161 HydrophobicContact CB-CB 4.36Å; E43-V161 HydrophobicContact CB-CG1 4.24Å; Y46-V161 HydrophobicContact CD2-CB 4.22Å; Y46-V161 HydrophobicContact CD2-CG2 4.2Å; Y46-V161 HydrophobicContact CE2-CB 4.48Å; Y46-V161 HydrophobicContact CE2-CG2 3.99Å; V161-D165 WeakPolarHBondContact CA-OD2 3.33Å; V161-D165 HydrophobicContact CG1-CB 4.4Å; V161-F166 HydrophobicContact CG1-CD2 4.14Å; V161-F166 HydrophobicContact CG1-CE2 3.42Å; V161-F166 VanDerWaalsContact CG1-CE2 3.42Å; V161-F166 HydrophobicContact CG1-CZ 4.11Å; V161-P208 HydrophobicContact CG1-CB 4.48Å; V161-P208 WeakPolarHBondContact O-CG 3.43Å
162T96.2Very high94.1Very high5 Ų538.1 Ų38.13%0.03120%0.199CC..  trans-119.9163.8-178.366.30000110.9P85 L86 Q164 D165P85-T162 HydrophobicContact CB-CG2 4.17Å; L86-T162 HydrophobicContact CB-CG2 4.01Å; L86-T162 HydrophobicContact CD1-CG2 4.29Å; T162-Q164 PolarHBondContact O-N 2.87Å; T162-D165 PolarHBondContact N-OD2 3.39Å; T162-D165 WeakPolarHBondContact O-CB 3.47Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 PolarHBondContact OG1-OD2 3.22Å
163P97.1Very high93.4Very high9 Ų937.2 Ų37.26%0.05819%0.189CC..Hα-helixtrans-55.3-33.3173.4-2736.2000113.2D165 F166 L167 A194 P208 I211 A212P163-D165 PolarHBondContact O-N 2.98Å; P163-F166 PolarHBondContact O-N 3.11Å; P163-L167 WeakPolarHBondContact O-CG 3.35Å; P163-L167 PolarHBondContact O-N 3.24Å; P163-L167 VanDerWaalsContact O-N 3.16Å; P163-A194 HydrophobicContact CB-CB 4Å; P163-A194 HydrophobicContact CG-CB 4.49Å; P163-P208 HydrophobicContact CG-CB 4.3Å; P163-I211 HydrophobicContact CB-CG2 4.2Å; P163-I211 HydrophobicContact CG-CB 4.04Å; P163-I211 HydrophobicContact CG-CG2 3.79Å; P163-A212 HydrophobicContact CB-CB 4Å; P163-A212 WeakPolarHBondContact O-CB 3.29Å
164Q95.1Very high92.5Very high12 Ų1237.4 Ų37.46%0.05619%0.187CC..Hα-helixtrans-64.9-26.3-178.2-75.169.215.600112.6E81 A82 P85 T162 F166 P168E81-Q164 HydrophobicContact CB-CG 4.37Å; E81-Q164 WeakPolarHBondContact O-CG 3.3Å; E81-Q164 PolarHBondContact O-NE2 3.03Å; A82-Q164 HydrophobicContact CB-CB 4.18Å; A82-Q164 HydrophobicContact CB-CG 4.48Å; P85-Q164 VanDerWaalsContact CG-CD 3.45Å; T162-Q164 PolarHBondContact O-N 2.87Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; Q164-P168 WeakPolarHBondContact O-CD 3.24Å
165D94.5Very high91Very high61 Ų6141.4 Ų41.433%0.32621%0.205SC..Hα-helixtrans-70.5-30.1174.5-60.1-53.8000111.8L39 V161 T162 P163 H169L39-D165 HydrophobicContact CD1-CB 4.17Å; L39-D165 HydrophobicContact CD2-CB 4.2Å; V161-D165 WeakPolarHBondContact CA-OD2 3.33Å; V161-D165 HydrophobicContact CG1-CB 4.4Å; T162-D165 PolarHBondContact N-OD2 3.39Å; T162-D165 WeakPolarHBondContact O-CB 3.47Å; T162-D165 PolarHBondContact O-N 2.95Å; T162-D165 PolarHBondContact OG1-OD2 3.22Å; P163-D165 PolarHBondContact O-N 2.98Å; D165-H169 PolarHBondContact O-CD2 3.04Å
166F95.8Very high89.1Confident0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-86.5-37.5-179-74.1-82000113.5I36 L39 L40 V161 P163 Q164 P168 H169 F170 P208 A212I36-F166 HydrophobicContact CG2-CE1 4.44Å; L39-F166 HydrophobicContact CB-CD1 4.18Å; L39-F166 HydrophobicContact CB-CE1 3.41Å; L39-F166 VanDerWaalsContact CB-CE1 3.41Å; L39-F166 HydrophobicContact CB-CE2 4.11Å; L39-F166 HydrophobicContact CB-CZ 3.38Å; L39-F166 HydrophobicContact CD1-CD1 4.07Å; L39-F166 HydrophobicContact CD1-CE1 4.15Å; L39-F166 HydrophobicContact CD1-CG 4.37Å; L39-F166 HydrophobicContact CG-CE1 4.44Å; L40-F166 HydrophobicContact CD2-CE1 3.84Å; L40-F166 HydrophobicContact CD2-CZ 4.03Å; L40-F166 HydrophobicContact CG-CE1 4.05Å; L40-F166 HydrophobicContact CG-CZ 4.43Å; V161-F166 HydrophobicContact CG1-CD2 4.14Å; V161-F166 HydrophobicContact CG1-CE2 3.42Å; V161-F166 VanDerWaalsContact CG1-CE2 3.42Å; V161-F166 HydrophobicContact CG1-CZ 4.11Å; P163-F166 PolarHBondContact O-N 3.11Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; F166-P168 VanDerWaalsContact C-CD 3.46Å; F166-H169 WeakPolarHBondContact O-CB 3.39Å; F166-H169 PolarHBondContact O-N 3.18Å; F166-F170 HydrophobicContact CB-CD2 4.2Å; F166-F170 HydrophobicContact CB-CE1 4.37Å; F166-F170 HydrophobicContact CB-CE2 3.74Å; F166-F170 HydrophobicContact CB-CZ 3.84Å; F166-F170 HydrophobicContact CD1-CE1 4Å; F166-F170 HydrophobicContact CD1-CE2 4.41Å; F166-F170 AromaticContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CG-CE2 4.36Å; F166-F170 HydrophobicContact CG-CZ 4.06Å; F166-F170 PolarHBondContact O-N 3.39Å; F166-P208 HydrophobicContact CD2-CB 4.34Å; F166-P208 HydrophobicContact CE2-CB 4.05Å; F166-A212 HydrophobicContact CB-CB 3.69Å
167L94.3Very high87Confident0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-50.1-48.4-173.6-75.6174.5000114.9P163 H169 F170 L171 D191 A212 L216P163-L167 WeakPolarHBondContact O-CG 3.35Å; P163-L167 PolarHBondContact O-N 3.24Å; P163-L167 VanDerWaalsContact O-N 3.16Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 2.93Å; L167-F170 PolarHBondContact O-N 3.42Å; L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.11Å; L167-D191 WeakPolarHBondContact CD1-OD1 3.21Å; L167-A212 HydrophobicContact CD2-CB 4.07Å; L167-A212 HydrophobicContact CG-CB 4.14Å; L167-L216 HydrophobicContact CD2-CB 4.16Å
168P90.8Very high85.1Confident20 Ų2036.7 Ų36.713%0.1321%0.211CC..Hα-helixtrans-68-30.4-179.122.6-25.3000112.2W26 Q164 F166 S172W26-P168 HydrophobicContact CE3-CB 4.28Å; W26-P168 HydrophobicContact CH2-CB 3.42Å; W26-P168 VanDerWaalsContact CH2-CB 3.42Å; W26-P168 HydrophobicContact CH2-CG 3.55Å; W26-P168 HydrophobicContact CZ2-CB 4.11Å; W26-P168 HydrophobicContact CZ3-CB 3.52Å; W26-P168 HydrophobicContact CZ3-CG 3.58Å; Q164-P168 WeakPolarHBondContact O-CD 3.24Å; F166-P168 VanDerWaalsContact C-CD 3.46Å; P168-S172 WeakPolarHBondContact O-CB 3.42Å; P168-S172 PolarHBondContact O-N 2.64Å; P168-S172 PolarHBondContact O-OG 3.44Å
169H90.6Very high83.7Confident13 Ų1343.3 Ų43.36%0.0624%0.241CC..Hα-helixtrans-71.6-39.9175.4-59.9-52.7000112.4W26 V30 V35 I36 D165 F166 L167 S172 S173W26-H169 AromaticContact CH2-CE1 3.37Å; W26-H169 WeakPolarHBondContact CH2-CE1 3.47Å; W26-H169 AromaticContact CH2-ND1 3.58Å; W26-H169 AromaticContact CZ2-CE1 3.6Å; W26-H169 AromaticContact CZ2-ND1 3.51Å; V30-H169 PolarHBondContact O-CE1 3.26Å; V35-H169 VanDerWaalsContact CG1-NE2 3.34Å; V35-H169 WeakPolarHBondContact CG1-NE2 3.34Å; I36-H169 HydrophobicContact CD1-CB 3.85Å; I36-H169 HydrophobicContact CG1-CB 3.65Å; D165-H169 PolarHBondContact O-CD2 3.04Å; F166-H169 WeakPolarHBondContact O-CB 3.39Å; F166-H169 PolarHBondContact O-N 3.18Å; L167-H169 VanDerWaalsContact C-N 3.28Å; L167-H169 PolarHBondContact O-N 2.93Å; H169-S172 WeakPolarHBondContact CA-OG 3.4Å; H169-S172 PolarHBondContact O-OG 3.05Å; H169-S173 PolarHBondContact O-N 3.32Å; H169-S173 VanDerWaalsContact O-N 3.15Å; H169-S173 PolarHBondContact O-OG 2.66Å
170F91.9Very high82.9Confident0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-65.1-46.5174.8-64.8-13.8000111.1I36 F166 L167 S172 S173 M174 A212 A213 L216 L238 L241 C242I36-F170 HydrophobicContact CD1-CD1 4.04Å; I36-F170 HydrophobicContact CD1-CE1 4.09Å; I36-F170 HydrophobicContact CG1-CE1 4.4Å; I36-F170 HydrophobicContact CG2-CE1 4.1Å; F166-F170 HydrophobicContact CB-CD2 4.2Å; F166-F170 HydrophobicContact CB-CE1 4.37Å; F166-F170 HydrophobicContact CB-CE2 3.74Å; F166-F170 HydrophobicContact CB-CZ 3.84Å; F166-F170 HydrophobicContact CD1-CE1 4Å; F166-F170 HydrophobicContact CD1-CE2 4.41Å; F166-F170 AromaticContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CD1-CZ 3.66Å; F166-F170 HydrophobicContact CG-CE2 4.36Å; F166-F170 HydrophobicContact CG-CZ 4.06Å; F166-F170 PolarHBondContact O-N 3.39Å; L167-F170 PolarHBondContact O-N 3.42Å; F170-S172 PolarHBondContact O-N 2.86Å; F170-S173 PolarHBondContact O-N 3.19Å; F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.99Å; F170-A212 HydrophobicContact CD2-CB 4.19Å; F170-A212 HydrophobicContact CE2-CB 3.85Å; F170-A213 HydrophobicContact CD2-CB 4.37Å; F170-A213 HydrophobicContact CE2-CB 3.87Å; F170-L216 HydrophobicContact CB-CD2 3.66Å; F170-L238 HydrophobicContact CB-CD2 3.91Å; F170-L238 HydrophobicContact CD2-CD2 4.16Å; F170-L238 HydrophobicContact CG-CD2 4.08Å; F170-L241 HydrophobicContact CD1-CB 4.07Å; F170-L241 HydrophobicContact CD1-CD1 4.1Å; F170-L241 HydrophobicContact CE1-CB 3.82Å; F170-C242 HydrophobicContact CZ-CB 4.08Å
171L89.3Confident82.3Confident8 Ų851.8 Ų51.84%0.04228%0.28CS..Hα-helixtrans-58.8-46.1175.7-72.3167000112.2L167 S173 M174 E175 V183 L186 R187 L216L167-L171 WeakPolarHBondContact O-CB 3.28Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 3.11Å; L171-S173 PolarHBondContact O-N 3.38Å; L171-M174 CarbonylContact O-C 3.5Å; L171-M174 WeakPolarHBondContact O-CA 3.49Å; L171-M174 WeakPolarHBondContact O-CB 3.49Å; L171-M174 PolarHBondContact O-N 3.26Å; L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 3.06Å; L171-V183 HydrophobicContact CB-CG1 4.31Å; L171-V183 HydrophobicContact CD1-CG1 4.36Å; L171-V183 HydrophobicContact CD2-CG1 4.36Å; L171-L186 HydrophobicContact CD2-CB 3.91Å; L171-L186 HydrophobicContact CD2-CD1 4.33Å; L171-R187 HydrophobicContact CD1-CB 3.69Å; L171-R187 HydrophobicContact CD1-CG 4.27Å; L171-L216 HydrophobicContact CD2-CD1 3.58Å; L171-L216 HydrophobicContact CD2-CD2 4.11Å; L171-L216 HydrophobicContact CG-CD1 4.35Å; L171-L216 HydrophobicContact CG-CD2 4.19Å
172S85.8Confident81.7Confident27 Ų2753.8 Ų53.819%0.18929%0.29CS..Hα-helixtrans-61.2-32178.169.10000113.4P168 H169 F170 M174 E175P168-S172 WeakPolarHBondContact O-CB 3.42Å; P168-S172 PolarHBondContact O-N 2.64Å; P168-S172 PolarHBondContact O-OG 3.44Å; H169-S172 WeakPolarHBondContact CA-OG 3.4Å; H169-S172 PolarHBondContact O-OG 3.05Å; F170-S172 PolarHBondContact O-N 2.86Å; S172-M174 PolarHBondContact O-N 3.16Å; S172-E175 PolarHBondContact O-N 3.39Å
173S81.8Confident81.1Confident45 Ų4554.5 Ų54.532%0.31529%0.294SS..THydrogen-bonded Turntrans-72.4-10.9175.9-54.10000112.5H169 F170 L171H169-S173 PolarHBondContact O-N 3.32Å; H169-S173 VanDerWaalsContact O-N 3.15Å; H169-S173 PolarHBondContact O-OG 2.66Å; F170-S173 PolarHBondContact O-N 3.19Å; L171-S173 PolarHBondContact O-N 3.38Å
174M75.3Confident80.7Confident25 Ų2557.9 Ų57.912%0.12332%0.318CS..THydrogen-bonded Turntrans-110.9-17.1-179-55.9169.48100112F170 L171 S172 E176 Q177 L216 L220 M234 L238F170-M174 WeakPolarHBondContact O-CG 3.38Å; F170-M174 PolarHBondContact O-N 2.99Å; L171-M174 CarbonylContact O-C 3.5Å; L171-M174 WeakPolarHBondContact O-CA 3.49Å; L171-M174 WeakPolarHBondContact O-CB 3.49Å; L171-M174 PolarHBondContact O-N 3.26Å; S172-M174 PolarHBondContact O-N 3.16Å; M174-E176 PolarHBondContact O-N 3.4Å; M174-Q177 PolarHBondContact O-N 3.1Å; M174-L216 HydrophobicContact SD-CD2 3.75Å; M174-L216 HydrophobicContact SD-CG 4.4Å; M174-L220 HydrophobicContact CE-CD1 3.23Å; M174-L220 HydrophobicContact CE-CD2 4.21Å; M174-L220 HydrophobicContact CE-CG 4.32Å; M174-L220 HydrophobicContact SD-CD1 4.39Å; M174-M234 HydrophobicContact CE-CB 3.89Å; M174-M234 HydrophobicContact CE-CE 3.11Å; M174-M234 HydrophobicContact CE-CG 4.09Å; M174-M234 HydrophobicContact CE-SD 4.45Å; M174-L238 HydrophobicContact CE-CD1 4.4Å; M174-L238 HydrophobicContact SD-CD2 3.99Å; M174-L238 HydrophobicContact SD-CG 4.39Å
175E65.3Low80.4Confident100 Ų10060.4 Ų60.447%0.46733%0.331SS..G310 helixtrans-64.8-16.8178.2-87.4179.5169.100114.2L171 S172 Q177 G178 V183L171-E175 WeakPolarHBondContact O-CG 3.34Å; L171-E175 PolarHBondContact O-N 3.06Å; S172-E175 PolarHBondContact O-N 3.39Å; E175-Q177 PolarHBondContact O-N 3.4Å; E175-G178 PolarHBondContact O-N 3.39Å; E175-V183 HydrophobicContact CG-CG1 4.43Å; E175-V183 HydrophobicContact CG-CG2 3.8Å; E175-V183 WeakPolarHBondContact OE1-CG1 3.24Å
176E55.6Low80.3Confident185 Ų18558 Ų5886%0.86432%0.318SS*.G310 helixtrans-56.4-3.7167.6-64.8-170.6169.200112.5M174M174-E176 PolarHBondContact O-N 3.4Å
177Q51.5Low80.1Confident119 Ų11961.6 Ų61.656%0.55633%0.331SS*.G310 helixtrans-139.220.5-175.4-51.4-170.8-1.600117M174 E175M174-Q177 PolarHBondContact O-N 3.1Å; E175-Q177 PolarHBondContact O-N 3.4Å
178G56.3Low80Confident45 Ų4569 Ų6946%0.46436%0.359SS..  trans-146.8160.5-170.500000119.5E175E175-G178 PolarHBondContact O-N 3.39Å
179E67.3Low80.2Confident153 Ų15371.3 Ų71.372%0.71537%0.368SS*.  trans-82.3142.7172.9-67.2173.4175.200111.5E181 L182 V183E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3Å; E179-E181 VanDerWaalsContact O-N 3.15Å; E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.16Å; E179-V183 PolarHBondContact O-N 3.37Å
180S75.7Confident80.5Confident108 Ų10870.7 Ų70.776%0.75537%0.365SS*.Hα-helixtrans-56.5-32.8-174-174.20000114.7S184S180-S184 PolarHBondContact O-N 2.9Å
181E81.9Confident80.7Confident143 Ų14371.1 Ų71.167%0.66837%0.367SS*.Hα-helixtrans-72.1-40-179.1-170.4178.9-177.500111.9E179 V183 S184 M185E179-E181 VanDerWaalsContact C-N 3.27Å; E179-E181 PolarHBondContact O-N 3Å; E179-E181 VanDerWaalsContact O-N 3.15Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.15Å; E181-S184 PolarHBondContact O-N 3.48Å; E181-M185 HydrophobicContact CG-CE 4.32Å; E181-M185 WeakPolarHBondContact O-CG 3.41Å; E181-M185 PolarHBondContact O-N 2.87Å
182L83Confident81Confident52 Ų5274.7 Ų74.727%0.27239%0.39SS..Hα-helixtrans-63.4-38.4177.2-176.5126.5000111.3E179 M185 L186E179-L182 PolarHBondContact O-N 3.49Å; E179-L182 VanDerWaalsContact O-N 3.16Å; L182-M185 HydrophobicContact CB-CE 4.49Å; L182-M185 PolarHBondContact O-N 3.33Å; L182-L186 HydrophobicContact CD2-CD1 3.59Å; L182-L186 HydrophobicContact CD2-CG 4.33Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 VanDerWaalsContact O-CG 3.24Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.48Å
183V84.9Confident81.5Confident20 Ų2074.2 Ų74.212%0.12139%0.385CS..Hα-helixtrans-62.6-45.9175.3177.60000111.2L171 E175 E179 E181 M185 L186 R187L171-V183 HydrophobicContact CB-CG1 4.31Å; L171-V183 HydrophobicContact CD1-CG1 4.36Å; L171-V183 HydrophobicContact CD2-CG1 4.36Å; E175-V183 HydrophobicContact CG-CG1 4.43Å; E175-V183 HydrophobicContact CG-CG2 3.8Å; E175-V183 WeakPolarHBondContact OE1-CG1 3.24Å; E179-V183 PolarHBondContact O-N 3.37Å; E181-V183 VanDerWaalsContact C-N 3.3Å; E181-V183 PolarHBondContact O-N 3.15Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 2.94Å; V183-L186 PolarHBondContact O-N 3.28Å; V183-R187 WeakPolarHBondContact O-CB 3.38Å; V183-R187 PolarHBondContact O-N 3.31Å
184S87.4Confident82.3Confident80 Ų8072 Ų7256%0.55937%0.37SS*.Hα-helixtrans-61-43.7177.1-179.70000111.7S180 E181 R187 R188S180-S184 PolarHBondContact O-N 2.9Å; E181-S184 PolarHBondContact O-N 3.48Å; S184-R187 PolarHBondContact O-N 3.33Å; S184-R188 PolarHBondContact O-N 2.91Å
185M89.8Confident83.3Confident65 Ų6571.5 Ų71.532%0.3237%0.369SS..Hα-helixtrans-62.1-45.4175.1-72.1-169.6-71.900112.3E181 L182 V183 R187 R188 H189 L223E181-M185 HydrophobicContact CG-CE 4.32Å; E181-M185 WeakPolarHBondContact O-CG 3.41Å; E181-M185 PolarHBondContact O-N 2.87Å; L182-M185 HydrophobicContact CB-CE 4.49Å; L182-M185 PolarHBondContact O-N 3.33Å; V183-M185 VanDerWaalsContact C-N 3.35Å; V183-M185 PolarHBondContact O-N 2.94Å; M185-R187 VanDerWaalsContact C-N 3.34Å; M185-R188 PolarHBondContact O-N 2.99Å; M185-H189 PolarHBondContact O-N 2.75Å; M185-H189 PolarHBondContact O-ND1 2.95Å; M185-L223 HydrophobicContact CB-CD1 4.25Å
186L91.2Very high84.7Confident9 Ų968.4 Ų68.45%0.04736%0.356CS..Hα-helixtrans-60.7-43.8176.7-75.4172.2000111.3L171 L182 V183 H189 S190 L216 A219 L220 L223L171-L186 HydrophobicContact CD2-CB 3.91Å; L171-L186 HydrophobicContact CD2-CD1 4.33Å; L182-L186 HydrophobicContact CD2-CD1 3.59Å; L182-L186 HydrophobicContact CD2-CG 4.33Å; L182-L186 HydrophobicContact CG-CD1 4.27Å; L182-L186 WeakPolarHBondContact O-CB 3.17Å; L182-L186 VanDerWaalsContact O-CG 3.24Å; L182-L186 WeakPolarHBondContact O-CG 3.47Å; L182-L186 PolarHBondContact O-N 3.48Å; V183-L186 PolarHBondContact O-N 3.28Å; L186-H189 PolarHBondContact O-N 3.49Å; L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 2.82Å; L186-L216 HydrophobicContact CB-CD1 4.22Å; L186-A219 HydrophobicContact CD2-CB 3.93Å; L186-L220 HydrophobicContact CD1-CD2 3.6Å; L186-L220 HydrophobicContact CD1-CG 4.48Å; L186-L220 HydrophobicContact CD2-CD2 3.72Å; L186-L220 HydrophobicContact CD2-CG 3.93Å; L186-L220 HydrophobicContact CG-CD2 4.34Å; L186-L223 HydrophobicContact CD2-CB 4.48Å; L186-L223 HydrophobicContact CD2-CD1 4.14Å
187R92.5Very high86.7Confident77 Ų7759.8 Ų59.829%0.29132%0.316SS..Hα-helixtrans-56-57.1175.5177165.7-116.4-70.58.8110.9L171 V183 S184 M185 H189 S190 D191L171-R187 HydrophobicContact CD1-CB 3.69Å; L171-R187 HydrophobicContact CD1-CG 4.27Å; V183-R187 WeakPolarHBondContact O-CB 3.38Å; V183-R187 PolarHBondContact O-N 3.31Å; S184-R187 PolarHBondContact O-N 3.33Å; M185-R187 VanDerWaalsContact C-N 3.34Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.45Å; R187-S190 CarbonylContact O-C 3.6Å; R187-S190 WeakPolarHBondContact O-CB 3.39Å; R187-S190 PolarHBondContact O-N 2.83Å; R187-D191 VanDerWaalsContact CG-OD2 3.23Å; R187-D191 WeakPolarHBondContact CG-OD2 3.32Å; R187-D191 IonicContact NH1-OD1 3.93Å; R187-D191 IonicContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact NH1-OD2 3.48Å; R187-D191 VanDerWaalsContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact O-N 3.06Å
188R93Very high88.8Confident155 Ų15555.2 Ų55.259%0.58530%0.296SS*.Hα-helixtrans-57.5-42.3-178.8-172.6178.363.5173-2.6112.9S184 M185 T192S184-R188 PolarHBondContact O-N 2.91Å; M185-R188 PolarHBondContact O-N 2.99Å; R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 3.33Å
189H94Very high90.6Very high68 Ų6853.1 Ų53.132%0.31527%0.274SS..Hα-helixtrans-67.1-40.9177.1-75.263.7000111.4M185 L186 R187 T192 L193 A219 L223M185-H189 PolarHBondContact O-N 2.75Å; M185-H189 PolarHBondContact O-ND1 2.95Å; L186-H189 PolarHBondContact O-N 3.49Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 3.45Å; H189-T192 PolarHBondContact O-N 3.32Å; H189-L193 WeakPolarHBondContact O-CB 3.23Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.22Å; H189-A219 HydrophobicContact CB-CB 3.8Å; H189-L223 HydrophobicContact CB-CD1 4.17Å
190S96.4Very high91.8Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-65.3-40.8177.9-53.90000111.7L186 R187 L193 A194 L216L186-S190 VanDerWaalsContact O-CB 3.27Å; L186-S190 WeakPolarHBondContact O-CB 3.44Å; L186-S190 PolarHBondContact O-N 3.38Å; L186-S190 PolarHBondContact O-OG 2.82Å; R187-S190 CarbonylContact O-C 3.6Å; R187-S190 WeakPolarHBondContact O-CB 3.39Å; R187-S190 PolarHBondContact O-N 2.83Å; S190-L193 PolarHBondContact O-N 3.37Å; S190-A194 VanDerWaalsContact O-CB 3.25Å; S190-A194 WeakPolarHBondContact O-CB 3.25Å; S190-A194 PolarHBondContact O-N 3.13Å; S190-L216 WeakPolarHBondContact OG-CA 3.48Å; S190-L216 WeakPolarHBondContact OG-CD1 3.32Å
191D96.1Very high92.5Very high9 Ų942.4 Ų42.45%0.04822%0.216CC..Hα-helixtrans-60.2-47.5175.1-72.8-39.8000110.5E81 L167 R187 L193 A194 A195E81-D191 HydrophobicContact CB-CB 4.22Å; E81-D191 HydrophobicContact CG-CB 4.2Å; L167-D191 WeakPolarHBondContact CD1-OD1 3.21Å; R187-D191 VanDerWaalsContact CG-OD2 3.23Å; R187-D191 WeakPolarHBondContact CG-OD2 3.32Å; R187-D191 IonicContact NH1-OD1 3.93Å; R187-D191 IonicContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact NH1-OD2 3.48Å; R187-D191 VanDerWaalsContact NH1-OD2 3.08Å; R187-D191 PolarHBondContact O-N 3.06Å; D191-L193 PolarHBondContact O-N 3.15Å; D191-A194 PolarHBondContact O-N 3.34Å; D191-A195 PolarHBondContact O-N 3.07Å
192T95.8Very high93Very high84 Ų8440.8 Ų40.852%0.51520%0.203SC..Hα-helixtrans-60.4-47.4175.8-58.90000111.9R188 H189 A194 A195 L196R188-T192 PolarHBondContact O-N 3.23Å; R188-T192 PolarHBondContact O-OG1 3.33Å; H189-T192 PolarHBondContact O-N 3.32Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.25Å; T192-A195 PolarHBondContact O-N 2.93Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.44Å
193L97.1Very high93.4Very high16 Ų1639 Ų398%0.08419%0.193CC..Hα-helixtrans-66.1-36.6179.7-68.9176.5000111.8H189 S190 D191 L196 C197 S215 C218 A219 I256 L260H189-L193 WeakPolarHBondContact O-CB 3.23Å; H189-L193 WeakPolarHBondContact O-CG 3.38Å; H189-L193 PolarHBondContact O-N 3.22Å; S190-L193 PolarHBondContact O-N 3.37Å; D191-L193 PolarHBondContact O-N 3.15Å; L193-L196 HydrophobicContact CD2-CD1 4.11Å; L193-L196 WeakPolarHBondContact O-CB 3.38Å; L193-L196 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-SG 2.85Å; L193-S215 WeakPolarHBondContact CB-OG 3.46Å; L193-S215 WeakPolarHBondContact CD1-O 3.17Å; L193-C218 HydrophobicContact CD1-CB 3.6Å; L193-A219 HydrophobicContact CD1-CB 4.45Å; L193-I256 HydrophobicContact CB-CG2 4.22Å; L193-I256 HydrophobicContact CD1-CG2 4.37Å; L193-I256 HydrophobicContact CD2-CG2 3.83Å; L193-I256 HydrophobicContact CG-CG2 4.36Å; L193-L260 HydrophobicContact CD2-CD2 4.16Å
194A97.6Very high93.7Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-64.7-44.3174.500000111.2P163 S190 D191 T192 L196 C197 V198 I211 S215P163-A194 HydrophobicContact CB-CB 4Å; P163-A194 HydrophobicContact CG-CB 4.49Å; S190-A194 VanDerWaalsContact O-CB 3.25Å; S190-A194 WeakPolarHBondContact O-CB 3.25Å; S190-A194 PolarHBondContact O-N 3.13Å; D191-A194 PolarHBondContact O-N 3.34Å; T192-A194 VanDerWaalsContact C-N 3.34Å; T192-A194 PolarHBondContact O-N 3.25Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.91Å; A194-C197 WeakPolarHBondContact O-CB 3.17Å; A194-C197 PolarHBondContact O-N 2.54Å; A194-C197 VanDerWaalsContact O-N 3.1Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 2.87Å; A194-I211 HydrophobicContact CB-CG2 4.25Å; A194-S215 WeakPolarHBondContact CA-OG 3.4Å; A194-S215 PolarHBondContact N-OG 3.48Å; A194-S215 VanDerWaalsContact N-OG 3.15Å
195A96.8Very high93.7Very high13 Ų1338 Ų3811%0.10719%0.193CC..Hα-helixtrans-59.5-40.517400000112L71 F84 D191 T192 C197 V198 C199L71-A195 HydrophobicContact CD1-CB 4.13Å; F84-A195 HydrophobicContact CD1-CB 3.98Å; F84-A195 HydrophobicContact CE1-CB 4.01Å; D191-A195 PolarHBondContact O-N 3.07Å; T192-A195 PolarHBondContact O-N 2.93Å; A195-C197 VanDerWaalsContact C-N 3.31Å; A195-C197 PolarHBondContact O-N 2.98Å; A195-V198 PolarHBondContact O-N 3.2Å; A195-C199 PolarHBondContact O-N 3.34Å; A195-C199 VanDerWaalsContact O-N 3.13Å
196L95.9Very high93.9Very high35 Ų3535.3 Ų35.318%0.18318%0.18CC..Hα-helixtrans-59.6-40.1173.5-71.5175.3000112.6T192 L193 A194 C199 D200 L260T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 3.44Å; L193-L196 HydrophobicContact CD2-CD1 4.11Å; L193-L196 WeakPolarHBondContact O-CB 3.38Å; L193-L196 PolarHBondContact O-N 2.94Å; A194-L196 VanDerWaalsContact C-N 3.3Å; A194-L196 PolarHBondContact O-N 2.91Å; L196-C199 PolarHBondContact O-N 3.39Å; L196-D200 PolarHBondContact O-N 2.91Å; L196-L260 HydrophobicContact CD1-CD1 4Å
197C96.8Very high94.1Very high4 Ų436.9 Ų36.93%0.02719%0.191CC..Hα-helixtrans-65.7-44.1176.3-620000111.6L193 A194 A195 C199 D200 F203 I211 I256L193-C197 PolarHBondContact O-N 2.94Å; L193-C197 PolarHBondContact O-SG 2.85Å; A194-C197 WeakPolarHBondContact O-CB 3.17Å; A194-C197 PolarHBondContact O-N 2.54Å; A194-C197 VanDerWaalsContact O-N 3.1Å; A195-C197 VanDerWaalsContact C-N 3.31Å; A195-C197 PolarHBondContact O-N 2.98Å; C197-C199 PolarHBondContact O-N 2.78Å; C197-D200 PolarHBondContact O-N 3.32Å; C197-F203 HydrophobicContact CB-CB 4.2Å; C197-F203 HydrophobicContact CB-CD1 4.18Å; C197-F203 HydrophobicContact CB-CD2 4.07Å; C197-F203 HydrophobicContact CB-CE2 4.49Å; C197-F203 HydrophobicContact CB-CG 3.88Å; C197-I211 HydrophobicContact CB-CD1 4.14Å; C197-I211 HydrophobicContact CB-CG2 3.75Å; C197-I256 WeakPolarHBondContact SG-CD1 3.36Å; C197-I256 WeakPolarHBondContact SG-CG1 3.48Å
198V95Very high94.3Very high24 Ų2433.7 Ų33.715%0.14518%0.18CC..Hα-helixtrans-58.6-37.6179170.80000111.5R63 F84 P85 V88 A194 A195 D200R63-V198 PolarHBondContact NH1-O 2.93Å; R63-V198 PolarHBondContact NH2-O 3.41Å; F84-V198 HydrophobicContact CD1-CG1 4.45Å; F84-V198 HydrophobicContact CE1-CB 3.83Å; F84-V198 HydrophobicContact CE1-CG1 3.63Å; F84-V198 HydrophobicContact CZ-CB 4.25Å; F84-V198 HydrophobicContact CZ-CG1 3.68Å; P85-V198 HydrophobicContact CB-CG2 4.17Å; V88-V198 HydrophobicContact CB-CG1 3.55Å; V88-V198 HydrophobicContact CG1-CG1 3.59Å; V88-V198 HydrophobicContact CG2-CG1 3.7Å; A194-V198 WeakPolarHBondContact O-CG2 3.46Å; A194-V198 PolarHBondContact O-N 2.87Å; A195-V198 PolarHBondContact O-N 3.2Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.12Å
199C94.1Very high94.5Very high0 Ų026.4 Ų26.40%015%0.153CC..THydrogen-bonded Turntrans-69-19.5175.5-76.60000114.7E64 F84 A195 L196 C197E64-C199 VanDerWaalsContact CG-O 3.29Å; E64-C199 WeakPolarHBondContact CG-O 3.43Å; F84-C199 WeakPolarHBondContact CZ-SG 3.37Å; A195-C199 PolarHBondContact O-N 3.34Å; A195-C199 VanDerWaalsContact O-N 3.13Å; L196-C199 PolarHBondContact O-N 3.39Å; C197-C199 PolarHBondContact O-N 2.78Å
200D92.9Very high94.7Very high9 Ų923.6 Ų23.65%0.04814%0.14CC..  trans-107.8122-167.5-176.4-36.9000110.9L196 C197 V198 R202 F203L196-D200 PolarHBondContact O-N 2.91Å; C197-D200 PolarHBondContact O-N 3.32Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.12Å; D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact O-N 3.09Å; D200-R202 VanDerWaalsContact OD1-CB 3.26Å; D200-R202 WeakPolarHBondContact OD1-CB 3.32Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 IonicContact OD1-CZ 3.3Å; D200-R202 PolarHBondContact OD1-N 3.2Å; D200-R202 IonicContact OD1-NE 2.97Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.75Å; D200-R202 IonicContact OD2-CZ 2.9Å; D200-R202 VanDerWaalsContact OD2-CZ 3.32Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.88Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å; D200-F203 HydrophobicContact CB-CD2 3.78Å; D200-F203 HydrophobicContact CB-CE2 4.16Å; D200-F203 PolarHBondContact O-N 2.96Å; D200-F203 VanDerWaalsContact O-N 3.08Å
201S90.8Very high94.8Very high28 Ų2824 Ų2420%0.19614%0.142CC..G310 helixtrans-63.2-19.3-173.559.70000114.1P60 E64 F203 L204P60-S201 WeakPolarHBondContact CB-OG 3.13Å; E64-S201 VanDerWaalsContact OE1-CB 3.23Å; E64-S201 WeakPolarHBondContact OE1-CB 3.29Å; E64-S201 PolarHBondContact OE1-N 3.33Å; E64-S201 PolarHBondContact OE1-OG 2.73Å; S201-F203 PolarHBondContact O-N 3.19Å; S201-L204 WeakPolarHBondContact O-CB 3.48Å; S201-L204 PolarHBondContact O-N 3.09Å; S201-L204 VanDerWaalsContact O-N 3.09Å
202R91.3Very high94.9Very high108 Ų10823.5 Ų23.541%0.40814%0.14SC..G310 helixtrans-67.4-23.2176.4-63.6175.1-71.2171.7-6.8113D200 S259D200-R202 PolarHBondContact O-N 3.35Å; D200-R202 VanDerWaalsContact O-N 3.09Å; D200-R202 VanDerWaalsContact OD1-CB 3.26Å; D200-R202 WeakPolarHBondContact OD1-CB 3.32Å; D200-R202 WeakPolarHBondContact OD1-CG 3.47Å; D200-R202 IonicContact OD1-CZ 3.3Å; D200-R202 PolarHBondContact OD1-N 3.2Å; D200-R202 IonicContact OD1-NE 2.97Å; D200-R202 PolarHBondContact OD1-NE 2.83Å; D200-R202 IonicContact OD1-NH2 2.75Å; D200-R202 IonicContact OD2-CZ 2.9Å; D200-R202 VanDerWaalsContact OD2-CZ 3.32Å; D200-R202 IonicContact OD2-NE 3.61Å; D200-R202 PolarHBondContact OD2-NE 2.86Å; D200-R202 IonicContact OD2-NH2 2.88Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å; R202-S259 PolarHBondContact NH2-OG 3.08Å
203F93Very high95Very high14 Ų1419.5 Ų19.56%0.06112%0.115CC..G310 helixtrans-93.71.8176.2-60.5-86.8000112.2C197 D200 S201 G205 A206 I211 Y252 M255 I256C197-F203 HydrophobicContact CB-CB 4.2Å; C197-F203 HydrophobicContact CB-CD1 4.18Å; C197-F203 HydrophobicContact CB-CD2 4.07Å; C197-F203 HydrophobicContact CB-CE2 4.49Å; C197-F203 HydrophobicContact CB-CG 3.88Å; D200-F203 HydrophobicContact CB-CD2 3.78Å; D200-F203 HydrophobicContact CB-CE2 4.16Å; D200-F203 PolarHBondContact O-N 2.96Å; D200-F203 VanDerWaalsContact O-N 3.08Å; S201-F203 PolarHBondContact O-N 3.19Å; F203-G205 PolarHBondContact O-N 2.96Å; F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 2.95Å; F203-I211 HydrophobicContact CB-CD1 4.04Å; F203-I211 HydrophobicContact CD1-CD1 3.53Å; F203-I211 HydrophobicContact CE1-CD1 4.4Å; F203-I211 HydrophobicContact CG-CD1 4.14Å; F203-Y252 AromaticContact CD1-CD1 3.74Å; F203-Y252 HydrophobicContact CD1-CD1 3.74Å; F203-Y252 AromaticContact CD1-CE1 3.8Å; F203-Y252 HydrophobicContact CD1-CE1 3.8Å; F203-Y252 AromaticContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CE1 4.27Å; F203-M255 HydrophobicContact CD1-CE 4.26Å; F203-M255 HydrophobicContact CE1-CB 4.27Å; F203-M255 HydrophobicContact CE1-CE 3.78Å; F203-M255 HydrophobicContact CZ-CB 3.96Å; F203-M255 HydrophobicContact CZ-CE 4.32Å; F203-I256 HydrophobicContact CE1-CD1 4.41Å; F203-I256 HydrophobicContact CE1-CG1 3.72Å; F203-I256 HydrophobicContact CZ-CG1 3.64Å
204L90Very high95Very high34 Ų3418.8 Ų18.818%0.17811%0.111CC..THydrogen-bonded Turntrans-63119.8174.7-172.866.9000109.9P48 Y52 V53 Q57 S201P48-L204 HydrophobicContact CG-CD1 3.89Å; P48-L204 HydrophobicContact CG-CG 4.37Å; Y52-L204 HydrophobicContact CE1-CD1 4.23Å; Y52-L204 HydrophobicContact CE1-CD2 4.08Å; V53-L204 HydrophobicContact CG2-CD2 3.94Å; V53-L204 HydrophobicContact CG2-CG 4.4Å; Q57-L204 HydrophobicContact CB-CD2 4.46Å; Q57-L204 HydrophobicContact CG-CD2 3.9Å; S201-L204 WeakPolarHBondContact O-CB 3.48Å; S201-L204 PolarHBondContact O-N 3.09Å; S201-L204 VanDerWaalsContact O-N 3.09Å
205G88.3Confident95Very high47 Ų4718.8 Ų18.849%0.48511%0.111SC..THydrogen-bonded Turntrans90.90.9-176.400000114.7F203F203-G205 PolarHBondContact O-N 2.96Å
206A93.5Very high94.9Very high7 Ų718.1 Ų18.16%0.05811%0.106CC..  trans-74135.6165.100000110.1F203 I211 Y252F203-A206 VanDerWaalsContact O-CB 3.25Å; F203-A206 WeakPolarHBondContact O-CB 3.47Å; F203-A206 PolarHBondContact O-N 2.95Å; A206-I211 HydrophobicContact CB-CD1 3.61Å; A206-I211 HydrophobicContact CB-CG1 3.94Å; A206-Y252 HydrophobicContact CB-CD1 4.49Å; A206-Y252 HydrophobicContact CB-CE1 3.5Å
207P95.8Very high94.9Very high42 Ų4216.7 Ų16.727%0.27310%0.098SC..  trans-66.3142.417823.4-28.7000110.8E43 S209 L210 I211E43-P207 HydrophobicContact CG-CB 4.36Å; P207-S209 PolarHBondContact O-N 3.29Å; P207-L210 HydrophobicContact CG-CB 3.72Å; P207-L210 HydrophobicContact CG-CD2 4.35Å; P207-L210 WeakPolarHBondContact O-CB 3.26Å; P207-L210 PolarHBondContact O-N 3.24Å; P207-I211 PolarHBondContact O-N 3.45Å; P207-I211 VanDerWaalsContact O-N 3.13Å
208P97.1Very high94.7Very high11 Ų1116.9 Ų16.97%0.07110%0.1CC..Hα-helixtrans-50.8-37.2177.2-27.932.6000114.3E43 V161 P163 F166 I211 A212E43-P208 HydrophobicContact CB-CG 4.26Å; E43-P208 WeakPolarHBondContact OE2-CD 3.49Å; V161-P208 HydrophobicContact CG1-CB 4.48Å; V161-P208 WeakPolarHBondContact O-CG 3.43Å; P163-P208 HydrophobicContact CG-CB 4.3Å; F166-P208 HydrophobicContact CD2-CB 4.34Å; F166-P208 HydrophobicContact CE2-CB 4.05Å; P208-I211 PolarHBondContact O-N 3.41Å; P208-A212 WeakPolarHBondContact O-CB 3.35Å; P208-A212 PolarHBondContact O-N 2.99Å
209S97.5Very high94.6Very high2 Ų215.9 Ų15.91%0.0149%0.094CC..Hα-helixtrans-60.8-43.3176.363.30000112.8L40 E43 P207 A212 A213L40-S209 VanDerWaalsContact CD2-CB 3.41Å; L40-S209 WeakPolarHBondContact CD2-OG 3.49Å; E43-S209 VanDerWaalsContact CD-OG 3.23Å; E43-S209 WeakPolarHBondContact OE1-CB 3.36Å; E43-S209 PolarHBondContact OE1-OG 3.39Å; E43-S209 WeakPolarHBondContact OE2-CB 3.3Å; E43-S209 PolarHBondContact OE2-N 3.09Å; E43-S209 PolarHBondContact OE2-OG 3.24Å; P207-S209 PolarHBondContact O-N 3.29Å; S209-A212 PolarHBondContact O-N 2.62Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 2.72Å
210L97.8Very high94.4Very high8 Ų816.5 Ų16.54%0.04210%0.098CC..Hα-helixtrans-68.1-41.2177.6178.860.2000111.2P207 A213 A214 T244 V248 L249 Y252P207-L210 HydrophobicContact CG-CB 3.72Å; P207-L210 HydrophobicContact CG-CD2 4.35Å; P207-L210 WeakPolarHBondContact O-CB 3.26Å; P207-L210 PolarHBondContact O-N 3.24Å; L210-A213 PolarHBondContact O-N 3.06Å; L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 3.22Å; L210-T244 HydrophobicContact CD1-CG2 4.08Å; L210-V248 HydrophobicContact CD1-CG1 4.36Å; L210-V248 HydrophobicContact CD2-CG1 4.03Å; L210-L249 HydrophobicContact CD1-CD1 4.19Å; L210-Y252 HydrophobicContact CD1-CD2 4.46Å; L210-Y252 HydrophobicContact CD1-CG 4.39Å; L210-Y252 HydrophobicContact CD2-CD1 4.08Å; L210-Y252 HydrophobicContact CD2-CD2 3.67Å; L210-Y252 HydrophobicContact CD2-CE1 4Å; L210-Y252 HydrophobicContact CD2-CE2 3.55Å; L210-Y252 HydrophobicContact CD2-CG 3.92Å; L210-Y252 HydrophobicContact CG-CD1 4.21Å; L210-Y252 HydrophobicContact CG-CD2 4.24Å; L210-Y252 HydrophobicContact CG-CG 4.05Å
211I97.9Very high94.1Very high8 Ų819.4 Ų19.44%0.04111%0.108CC..Hα-helixtrans-62.7-46.6175.6-62.5-55.4000110.8P163 A194 C197 F203 A206 P207 P208 A213 A214 S215 Y252P163-I211 HydrophobicContact CB-CG2 4.2Å; P163-I211 HydrophobicContact CG-CB 4.04Å; P163-I211 HydrophobicContact CG-CG2 3.79Å; A194-I211 HydrophobicContact CB-CG2 4.25Å; C197-I211 HydrophobicContact CB-CD1 4.14Å; C197-I211 HydrophobicContact CB-CG2 3.75Å; F203-I211 HydrophobicContact CB-CD1 4.04Å; F203-I211 HydrophobicContact CD1-CD1 3.53Å; F203-I211 HydrophobicContact CE1-CD1 4.4Å; F203-I211 HydrophobicContact CG-CD1 4.14Å; A206-I211 HydrophobicContact CB-CD1 3.61Å; A206-I211 HydrophobicContact CB-CG1 3.94Å; P207-I211 PolarHBondContact O-N 3.45Å; P207-I211 VanDerWaalsContact O-N 3.13Å; P208-I211 PolarHBondContact O-N 3.41Å; I211-A213 PolarHBondContact O-N 3.11Å; I211-A214 PolarHBondContact O-N 3.1Å; I211-S215 VanDerWaalsContact O-CB 3.27Å; I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.42Å; I211-S215 PolarHBondContact O-OG 3.45Å; I211-Y252 HydrophobicContact CD1-CD1 4.14Å; I211-Y252 HydrophobicContact CD1-CE1 4.25Å
212A97.9Very high93.7Very high0 Ų021.1 Ų21.10%013%0.13CC..Hα-helixtrans-59.8-48.1176.700000111.9P163 F166 L167 F170 P208 S209 L216P163-A212 HydrophobicContact CB-CB 4Å; P163-A212 WeakPolarHBondContact O-CB 3.29Å; F166-A212 HydrophobicContact CB-CB 3.69Å; L167-A212 HydrophobicContact CD2-CB 4.07Å; L167-A212 HydrophobicContact CG-CB 4.14Å; F170-A212 HydrophobicContact CD2-CB 4.19Å; F170-A212 HydrophobicContact CE2-CB 3.85Å; P208-A212 WeakPolarHBondContact O-CB 3.35Å; P208-A212 PolarHBondContact O-N 2.99Å; S209-A212 PolarHBondContact O-N 2.62Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 PolarHBondContact O-N 2.95Å
213A97.4Very high93Very high0 Ų019 Ų190%013%0.127CC..Hα-helixtrans-63.6-44.3179.200000111.7F170 S209 L210 I211 L216 N217 L238 C242 L249F170-A213 HydrophobicContact CD2-CB 4.37Å; F170-A213 HydrophobicContact CE2-CB 3.87Å; S209-A213 VanDerWaalsContact O-CB 3.3Å; S209-A213 WeakPolarHBondContact O-CB 3.37Å; S209-A213 PolarHBondContact O-N 2.72Å; L210-A213 PolarHBondContact O-N 3.06Å; I211-A213 PolarHBondContact O-N 3.11Å; A213-L216 PolarHBondContact O-N 3.46Å; A213-N217 VanDerWaalsContact O-CB 3.25Å; A213-N217 WeakPolarHBondContact O-CB 3.46Å; A213-N217 PolarHBondContact O-N 3.2Å; A213-L238 HydrophobicContact CB-CB 4.38Å; A213-C242 HydrophobicContact CB-CB 4.18Å; A213-L249 HydrophobicContact CB-CD1 3.7Å
214A97.8Very high91.6Very high0 Ų019.4 Ų19.40%014%0.135CC..Hα-helixtrans-67-43.5-179.400000111.9L210 I211 N217 C218 L249 S253 I256L210-A214 WeakPolarHBondContact O-CB 3.26Å; L210-A214 PolarHBondContact O-N 3.22Å; I211-A214 PolarHBondContact O-N 3.1Å; A214-N217 PolarHBondContact O-N 2.87Å; A214-C218 WeakPolarHBondContact O-CB 3.4Å; A214-C218 PolarHBondContact O-N 3.38Å; A214-C218 PolarHBondContact O-SG 2.9Å; A214-L249 HydrophobicContact CB-CD1 4.01Å; A214-S253 PolarHBondContact O-OG 3.26Å; A214-I256 HydrophobicContact CB-CD1 3.64Å
215S97.6Very high90Very high0 Ų024 Ų240%017%0.17CC..Hα-helixtrans-60.8-44.1174.7-740000111.8L193 A194 I211 C218 A219L193-S215 WeakPolarHBondContact CB-OG 3.46Å; L193-S215 WeakPolarHBondContact CD1-O 3.17Å; A194-S215 WeakPolarHBondContact CA-OG 3.4Å; A194-S215 PolarHBondContact N-OG 3.48Å; A194-S215 VanDerWaalsContact N-OG 3.15Å; I211-S215 VanDerWaalsContact O-CB 3.27Å; I211-S215 WeakPolarHBondContact O-CB 3.42Å; I211-S215 PolarHBondContact O-N 3.42Å; I211-S215 PolarHBondContact O-OG 3.45Å; S215-C218 WeakPolarHBondContact O-CB 3.39Å; S215-C218 PolarHBondContact O-N 2.92Å; S215-A219 PolarHBondContact O-N 3.13Å
216L95.4Very high88.9Confident0 Ų024 Ų240%016%0.157CC..Hα-helixtrans-66.2-42.4176.6-179.653.9000112L167 F170 L171 M174 L186 S190 A212 A213 C218 A219 L220 L238L167-L216 HydrophobicContact CD2-CB 4.16Å; F170-L216 HydrophobicContact CB-CD2 3.66Å; L171-L216 HydrophobicContact CD2-CD1 3.58Å; L171-L216 HydrophobicContact CD2-CD2 4.11Å; L171-L216 HydrophobicContact CG-CD1 4.35Å; L171-L216 HydrophobicContact CG-CD2 4.19Å; M174-L216 HydrophobicContact SD-CD2 3.75Å; M174-L216 HydrophobicContact SD-CG 4.4Å; L186-L216 HydrophobicContact CB-CD1 4.22Å; S190-L216 WeakPolarHBondContact OG-CA 3.48Å; S190-L216 WeakPolarHBondContact OG-CD1 3.32Å; A212-L216 WeakPolarHBondContact O-CB 3.45Å; A212-L216 PolarHBondContact O-N 2.95Å; A213-L216 PolarHBondContact O-N 3.46Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.66Å; L216-A219 PolarHBondContact O-N 2.91Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CG 4.29Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CD1 3.42Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.2Å; L216-L238 HydrophobicContact CD2-CD2 3.89Å; L216-L238 HydrophobicContact CG-CD1 4.33Å
217N94.4Very high87.6Confident4 Ų426.7 Ų26.72%0.02118%0.178CC..Hα-helixtrans-61.5-39.3175.4-168.442.5000112A213 A214 L220 R221 S235 L238 S253A213-N217 VanDerWaalsContact O-CB 3.25Å; A213-N217 WeakPolarHBondContact O-CB 3.46Å; A213-N217 PolarHBondContact O-N 3.2Å; A214-N217 PolarHBondContact O-N 2.87Å; N217-L220 PolarHBondContact O-N 3.38Å; N217-R221 WeakPolarHBondContact O-CD 3.49Å; N217-R221 VanDerWaalsContact O-CG 3.27Å; N217-R221 WeakPolarHBondContact O-CG 3.35Å; N217-R221 PolarHBondContact O-N 3.12Å; N217-S235 PolarHBondContact ND2-OG 2.95Å; N217-L238 HydrophobicContact CB-CD1 3.93Å; N217-S253 WeakPolarHBondContact CB-OG 3.32Å; N217-S253 PolarHBondContact ND2-OG 2.99Å
218C94.2Very high86.5Confident8 Ų828.5 Ų28.55%0.05419%0.192CC..Hα-helixtrans-63-46.7171.5-72.90000112.5L193 A214 S215 L216 L220 R221 G222 S253 I256L193-C218 HydrophobicContact CD1-CB 3.6Å; A214-C218 WeakPolarHBondContact O-CB 3.4Å; A214-C218 PolarHBondContact O-N 3.38Å; A214-C218 PolarHBondContact O-SG 2.9Å; S215-C218 WeakPolarHBondContact O-CB 3.39Å; S215-C218 PolarHBondContact O-N 2.92Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.66Å; C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 2.99Å; C218-R221 PolarHBondContact O-N 3.35Å; C218-G222 PolarHBondContact O-N 3.27Å; C218-S253 VanDerWaalsContact SG-C 3.59Å; C218-S253 WeakPolarHBondContact SG-CA 3.27Å; C218-S253 VanDerWaalsContact SG-CB 3.55Å; C218-S253 PolarHBondContact SG-O 3.46Å; C218-I256 HydrophobicContact CB-CG2 4.37Å
219A92.4Very high85.6Confident4 Ų432.7 Ų32.73%0.03322%0.219CC..Hα-helixtrans-60-41.4177.600000111.3L186 H189 L193 S215 L216 R221 G222 L223L186-A219 HydrophobicContact CD2-CB 3.93Å; H189-A219 HydrophobicContact CB-CB 3.8Å; L193-A219 HydrophobicContact CD1-CB 4.45Å; S215-A219 PolarHBondContact O-N 3.13Å; L216-A219 PolarHBondContact O-N 2.91Å; A219-R221 PolarHBondContact O-N 3.16Å; A219-G222 PolarHBondContact O-N 3.16Å; A219-L223 WeakPolarHBondContact O-CB 3.17Å; A219-L223 PolarHBondContact O-N 3.19Å
220L89.6Confident84.7Confident13 Ų1335.8 Ų35.87%0.06823%0.234CC..Hα-helixtrans-62.9-39.2175.3-73.1162.6000113M174 L186 L216 N217 C218 G224 M234 L238M174-L220 HydrophobicContact CE-CD1 3.23Å; M174-L220 HydrophobicContact CE-CD2 4.21Å; M174-L220 HydrophobicContact CE-CG 4.32Å; M174-L220 HydrophobicContact SD-CD1 4.39Å; L186-L220 HydrophobicContact CD1-CD2 3.6Å; L186-L220 HydrophobicContact CD1-CG 4.48Å; L186-L220 HydrophobicContact CD2-CD2 3.72Å; L186-L220 HydrophobicContact CD2-CG 3.93Å; L186-L220 HydrophobicContact CG-CD2 4.34Å; L216-L220 HydrophobicContact CD1-CD1 4.27Å; L216-L220 HydrophobicContact CD1-CG 4.29Å; L216-L220 HydrophobicContact CG-CD1 4.07Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 WeakPolarHBondContact O-CD1 3.42Å; L216-L220 VanDerWaalsContact O-CG 3.23Å; L216-L220 WeakPolarHBondContact O-CG 3.49Å; L216-L220 PolarHBondContact O-N 3.2Å; N217-L220 PolarHBondContact O-N 3.38Å; C218-L220 VanDerWaalsContact C-N 3.29Å; C218-L220 PolarHBondContact O-N 2.99Å; L220-G224 VanDerWaalsContact O-CA 3.25Å; L220-G224 WeakPolarHBondContact O-CA 3.48Å; L220-G224 PolarHBondContact O-N 3.47Å; L220-M234 HydrophobicContact CD1-CE 3.99Å; L220-M234 HydrophobicContact CD2-CE 3.38Å; L220-M234 HydrophobicContact CG-CE 4.3Å; L220-L238 HydrophobicContact CD1-CD1 4.12Å
221R86.9Confident84Confident69 Ų6939.9 Ų39.926%0.2625%0.248SC..Hα-helixtrans-69.3-35.6176-73.6164.255.5154.8-1.4112.3N217 C218 A219 E257N217-R221 WeakPolarHBondContact O-CD 3.49Å; N217-R221 VanDerWaalsContact O-CG 3.27Å; N217-R221 WeakPolarHBondContact O-CG 3.35Å; N217-R221 PolarHBondContact O-N 3.12Å; C218-R221 PolarHBondContact O-N 3.35Å; A219-R221 PolarHBondContact O-N 3.16Å; R221-E257 IonicContact CZ-OE1 3.17Å; R221-E257 IonicContact CZ-OE2 2.82Å; R221-E257 IonicContact NE-OE1 3.81Å; R221-E257 PolarHBondContact NE-OE1 3.03Å; R221-E257 IonicContact NH2-OE1 3.08Å; R221-E257 PolarHBondContact NH2-OE1 3.44Å; R221-E257 IonicContact NH2-OE2 2.71Å; R221-E257 PolarHBondContact NH2-OE2 2.99Å
222G82.9Confident83.4Confident65 Ų6541.9 Ų41.967%0.6727%0.266SS*.Hα-helixtrans-80.1-36.3-179.200000114.5C218 A219C218-G222 PolarHBondContact O-N 3.27Å; A219-G222 PolarHBondContact O-N 3.16Å
223L75.6Confident82.9Confident64 Ų6444.1 Ų44.134%0.33528%0.284SS..Hα-helixtrans-104.6-21.4-174.9-64.4174.2000114.1M185 L186 H189 A219 S225M185-L223 HydrophobicContact CB-CD1 4.25Å; L186-L223 HydrophobicContact CD2-CB 4.48Å; L186-L223 HydrophobicContact CD2-CD1 4.14Å; H189-L223 HydrophobicContact CB-CD1 4.17Å; A219-L223 WeakPolarHBondContact O-CB 3.17Å; A219-L223 PolarHBondContact O-N 3.19Å; L223-S225 PolarHBondContact O-N 3.3Å
224G63.3Low82.5Confident22 Ų2245 Ų4523%0.22729%0.289CS..  trans-80.4116.9-171.400000113.5L220 K226L220-G224 VanDerWaalsContact O-CA 3.25Å; L220-G224 WeakPolarHBondContact O-CA 3.48Å; L220-G224 PolarHBondContact O-N 3.47Å; G224-K226 PolarHBondContact O-N 3.33Å; G224-K226 VanDerWaalsContact O-N 3.15Å
225S57Low82.2Confident131 Ų13145.7 Ų45.792%0.91629%0.294SS*.  trans-7312.4163.4-1660000113.1L223L223-S225 PolarHBondContact O-N 3.3Å
226K64.5Low81.9Confident47 Ų4751 Ų5120%0.20432%0.319CS..  trans-77.4140.8-174.6-69.6-177171.2-167.40111G224 Q230 R231 M234G224-K226 PolarHBondContact O-N 3.33Å; G224-K226 VanDerWaalsContact O-N 3.15Å; K226-Q230 HydrophobicContact CB-CB 4.45Å; K226-Q230 HydrophobicContact CD-CG 4.2Å; K226-R231 HydrophobicContact CB-CG 4.21Å; K226-R231 WeakPolarHBondContact O-CD 3.34Å; K226-R231 PolarHBondContact O-NE 2.88Å; K226-M234 HydrophobicContact CD-CE 4.41Å; K226-M234 HydrophobicContact CD-SD 3.75Å
227A65.9Low81.8Confident62 Ų6253.6 Ų53.651%0.51234%0.335SS..  trans-57.4151178.600000111.6P229 Q230 R231A227-P229 VanDerWaalsContact C-N 3.34Å; A227-P229 HydrophobicContact CB-CG 4.32Å; A227-P229 VanDerWaalsContact O-N 3.16Å; A227-Q230 PolarHBondContact O-N 3.17Å; A227-Q230 VanDerWaalsContact O-N 3.07Å; A227-R231 PolarHBondContact O-N 2.99Å
228S73.1Confident81.8Confident81 Ų8153.4 Ų53.457%0.56633%0.334SS*.Hα-helixtrans-44.9-44.4179.1-154.90000115.9R231 A232S228-R231 PolarHBondContact O-N 3.44Å; S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.15Å
229P78.3Confident81.9Confident98 Ų9853.1 Ų53.164%0.63633%0.331SS*.Hα-helixtrans-68.4-34.5-179.325.2-34.9000113.7A227 R231 A232 A233A227-P229 VanDerWaalsContact C-N 3.34Å; A227-P229 HydrophobicContact CB-CG 4.32Å; A227-P229 VanDerWaalsContact O-N 3.16Å; P229-R231 VanDerWaalsContact C-N 3.35Å; P229-A232 PolarHBondContact O-N 3.17Å; P229-A233 PolarHBondContact O-N 3.18Å
230Q80.1Confident82Confident68 Ų6859.8 Ų59.832%0.31836%0.362SS..Hα-helixtrans-70.1-35.6178.5-167.8176.418.500111.1K226 A227 A233 M234K226-Q230 HydrophobicContact CB-CB 4.45Å; K226-Q230 HydrophobicContact CD-CG 4.2Å; A227-Q230 PolarHBondContact O-N 3.17Å; A227-Q230 VanDerWaalsContact O-N 3.07Å; Q230-A233 PolarHBondContact O-N 3.4Å; Q230-M234 HydrophobicContact CG-SD 4.15Å; Q230-M234 WeakPolarHBondContact O-CG 3.41Å; Q230-M234 PolarHBondContact O-N 3.43Å
231R81.5Confident82.2Confident94 Ų9460 Ų6036%0.35536%0.363SS..Hα-helixtrans-64.9-41.5173.9-65.2-176.7-61.3164.45.9112K226 A227 S228 P229 M234 S235K226-R231 HydrophobicContact CB-CG 4.21Å; K226-R231 WeakPolarHBondContact O-CD 3.34Å; K226-R231 PolarHBondContact O-NE 2.88Å; A227-R231 PolarHBondContact O-N 2.99Å; S228-R231 PolarHBondContact O-N 3.44Å; P229-R231 VanDerWaalsContact C-N 3.35Å; R231-M234 PolarHBondContact O-N 3.34Å; R231-S235 PolarHBondContact O-N 3.05Å
232A85.4Confident82.6Confident50 Ų5057 Ų5741%0.41335%0.353SS..Hα-helixtrans-61.3-47.3175.400000111.3S228 P229 M234 S235 E236S228-A232 PolarHBondContact O-N 2.94Å; S228-A232 VanDerWaalsContact O-N 3.15Å; P229-A232 PolarHBondContact O-N 3.17Å; A232-M234 PolarHBondContact O-N 3.21Å; A232-S235 WeakPolarHBondContact O-CB 3.23Å; A232-S235 PolarHBondContact O-N 3.38Å; A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.39Å
233A88.2Confident83.2Confident46 Ų4660.2 Ų60.238%0.3835%0.35SS..Hα-helixtrans-59.7-43176.500000112.5P229 Q230 S235 E236 T237P229-A233 PolarHBondContact O-N 3.18Å; Q230-A233 PolarHBondContact O-N 3.4Å; A233-S235 VanDerWaalsContact C-N 3.34Å; A233-S235 PolarHBondContact O-N 3.49Å; A233-E236 PolarHBondContact O-N 2.61Å; A233-T237 PolarHBondContact O-N 3.26Å; A233-T237 PolarHBondContact O-OG1 3.06Å
234M88.1Confident84.2Confident18 Ų1859 Ų599%0.08935%0.346CS..Hα-helixtrans-63.9-38.5176.8-69.5168.977.900112.1M174 L220 K226 Q230 R231 A232 T237 L238M174-M234 HydrophobicContact CE-CB 3.89Å; M174-M234 HydrophobicContact CE-CE 3.11Å; M174-M234 HydrophobicContact CE-CG 4.09Å; M174-M234 HydrophobicContact CE-SD 4.45Å; L220-M234 HydrophobicContact CD1-CE 3.99Å; L220-M234 HydrophobicContact CD2-CE 3.38Å; L220-M234 HydrophobicContact CG-CE 4.3Å; K226-M234 HydrophobicContact CD-CE 4.41Å; K226-M234 HydrophobicContact CD-SD 3.75Å; Q230-M234 HydrophobicContact CG-SD 4.15Å; Q230-M234 WeakPolarHBondContact O-CG 3.41Å; Q230-M234 PolarHBondContact O-N 3.43Å; R231-M234 PolarHBondContact O-N 3.34Å; A232-M234 PolarHBondContact O-N 3.21Å; M234-T237 PolarHBondContact O-N 2.96Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.17Å
235S91.4Very high85.8Confident16 Ų1662.5 Ų62.511%0.11236%0.359CS..Hα-helixtrans-66-38.9174.1-1710000112N217 R231 A232 A233 L238 A239 L249N217-S235 PolarHBondContact ND2-OG 2.95Å; R231-S235 PolarHBondContact O-N 3.05Å; A232-S235 WeakPolarHBondContact O-CB 3.23Å; A232-S235 PolarHBondContact O-N 3.38Å; A233-S235 VanDerWaalsContact C-N 3.34Å; A233-S235 PolarHBondContact O-N 3.49Å; S235-L238 PolarHBondContact O-N 3.44Å; S235-A239 PolarHBondContact O-N 3.29Å; S235-L249 VanDerWaalsContact O-CD2 3.3Å; S235-L249 WeakPolarHBondContact O-CD2 3.47Å
236E92.6Very high87.6Confident112 Ų11259.3 Ų59.352%0.52334%0.335SS..Hα-helixtrans-63.5-46.1174.2-73.7173.8-176.600111.1A232 A233 L238 A239 E240A232-E236 WeakPolarHBondContact O-CG 3.48Å; A232-E236 PolarHBondContact O-N 3.39Å; A233-E236 PolarHBondContact O-N 2.61Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.22Å; E236-A239 WeakPolarHBondContact O-CB 3.39Å; E236-A239 PolarHBondContact O-N 3.09Å; E236-A239 VanDerWaalsContact O-N 3.15Å; E236-E240 WeakPolarHBondContact O-CG 3.28Å; E236-E240 PolarHBondContact O-N 3.28Å
237T92.9Very high89.1Confident54 Ų5460.1 Ų60.133%0.33135%0.351SS..Hα-helixtrans-59.4-42.5175.7-54.40000111.9A233 M234 A239 E240 L241A233-T237 PolarHBondContact O-N 3.26Å; A233-T237 PolarHBondContact O-OG1 3.06Å; M234-T237 PolarHBondContact O-N 2.96Å; T237-A239 VanDerWaalsContact C-N 3.34Å; T237-A239 PolarHBondContact O-N 3.42Å; T237-E240 PolarHBondContact O-N 2.95Å; T237-L241 HydrophobicContact CG2-CD1 4.01Å; T237-L241 HydrophobicContact CG2-CG 4.38Å; T237-L241 WeakPolarHBondContact O-CB 3.39Å; T237-L241 VanDerWaalsContact O-CG 3.24Å; T237-L241 WeakPolarHBondContact O-CG 3.34Å; T237-L241 PolarHBondContact O-N 3.11Å
238L94.4Very high90.6Very high0 Ų060 Ų600%034%0.343CS..Hα-helixtrans-62.8-41.5176.1-74.1172.7000111.9F170 M174 A213 L216 N217 L220 M234 S235 E236 E240 L241 C242 L249F170-L238 HydrophobicContact CB-CD2 3.91Å; F170-L238 HydrophobicContact CD2-CD2 4.16Å; F170-L238 HydrophobicContact CG-CD2 4.08Å; M174-L238 HydrophobicContact CE-CD1 4.4Å; M174-L238 HydrophobicContact SD-CD2 3.99Å; M174-L238 HydrophobicContact SD-CG 4.39Å; A213-L238 HydrophobicContact CB-CB 4.38Å; L216-L238 HydrophobicContact CD2-CD2 3.89Å; L216-L238 HydrophobicContact CG-CD1 4.33Å; N217-L238 HydrophobicContact CB-CD1 3.93Å; L220-L238 HydrophobicContact CD1-CD1 4.12Å; M234-L238 WeakPolarHBondContact O-CG 3.38Å; M234-L238 PolarHBondContact O-N 3.17Å; S235-L238 PolarHBondContact O-N 3.44Å; E236-L238 VanDerWaalsContact C-N 3.33Å; E236-L238 PolarHBondContact O-N 3.22Å; L238-E240 VanDerWaalsContact C-N 3.34Å; L238-L241 PolarHBondContact O-N 2.85Å; L238-C242 PolarHBondContact O-N 3.34Å; L238-C242 PolarHBondContact O-SG 2.85Å; L238-L249 HydrophobicContact CB-CD2 3.82Å
239A96.1Very high91.7Very high1 Ų156.1 Ų56.11%0.00832%0.316CS..Hα-helixtrans-63.2-40.7177.300000112S235 E236 T237 Q243 T244 P246 L249S235-A239 PolarHBondContact O-N 3.29Å; E236-A239 WeakPolarHBondContact O-CB 3.39Å; E236-A239 PolarHBondContact O-N 3.09Å; E236-A239 VanDerWaalsContact O-N 3.15Å; T237-A239 VanDerWaalsContact C-N 3.34Å; T237-A239 PolarHBondContact O-N 3.42Å; A239-Q243 PolarHBondContact O-N 3.35Å; A239-T244 HydrophobicContact CB-CG2 4.25Å; A239-T244 PolarHBondContact O-N 2.94Å; A239-P246 HydrophobicContact CB-CB 4.28Å; A239-P246 HydrophobicContact CB-CG 3.98Å; A239-L249 HydrophobicContact CB-CB 4.5Å; A239-L249 HydrophobicContact CB-CD2 3.93Å
240E95.1Very high92.5Very high144 Ų14454.4 Ų54.467%0.67330%0.3SS*.Hα-helixtrans-63.1-44.3173.5-71.3177.8179.200112E236 T237 L238 Q243E236-E240 WeakPolarHBondContact O-CG 3.28Å; E236-E240 PolarHBondContact O-N 3.28Å; T237-E240 PolarHBondContact O-N 2.95Å; L238-E240 VanDerWaalsContact C-N 3.34Å; E240-Q243 PolarHBondContact O-N 3.11Å
241L94Very high93.3Very high17 Ų1754.1 Ų54.19%0.08931%0.305CS..Hα-helixtrans-66.7-37.1-178.7-70.9170.7000112.8I36 F170 T237 L238I36-L241 HydrophobicContact CD1-CD2 3.83Å; I36-L241 VanDerWaalsContact CG2-O 3.25Å; I36-L241 WeakPolarHBondContact CG2-O 3.29Å; F170-L241 HydrophobicContact CD1-CB 4.07Å; F170-L241 HydrophobicContact CD1-CD1 4.1Å; F170-L241 HydrophobicContact CE1-CB 3.82Å; T237-L241 HydrophobicContact CG2-CD1 4.01Å; T237-L241 HydrophobicContact CG2-CG 4.38Å; T237-L241 WeakPolarHBondContact O-CB 3.39Å; T237-L241 VanDerWaalsContact O-CG 3.24Å; T237-L241 WeakPolarHBondContact O-CG 3.34Å; T237-L241 PolarHBondContact O-N 3.11Å; L238-L241 PolarHBondContact O-N 2.85Å
242C94.8Very high94.1Very high7 Ų752 Ų525%0.04730%0.297CS..THydrogen-bonded Turntrans-91.6717568.70000114.1F170 A213 L238 T244F170-C242 HydrophobicContact CZ-CB 4.08Å; A213-C242 HydrophobicContact CB-CB 4.18Å; L238-C242 PolarHBondContact O-N 3.34Å; L238-C242 PolarHBondContact O-SG 2.85Å; C242-T244 VanDerWaalsContact C-N 3.3Å; C242-T244 PolarHBondContact O-N 3.47Å; C242-T244 WeakPolarHBondContact SG-CG2 3.41Å
243Q95.3Very high94.6Very high132 Ų13249.6 Ų49.662%0.61728%0.278SS*.THydrogen-bonded Turntrans53.642.4178.1-61-178.40.500113.6L40 A239 E240L40-Q243 HydrophobicContact CD1-CB 4.35Å; L40-Q243 HydrophobicContact CD1-CG 3.67Å; A239-Q243 PolarHBondContact O-N 3.35Å; E240-Q243 PolarHBondContact O-N 3.11Å
244T95.9Very high94.9Very high39 Ų3952.1 Ų52.124%0.23928%0.281CS..  trans-120.2163.1179.2-159.70000111.8L210 A239 C242 L249L210-T244 HydrophobicContact CD1-CG2 4.08Å; A239-T244 HydrophobicContact CB-CG2 4.25Å; A239-T244 PolarHBondContact O-N 2.94Å; C242-T244 VanDerWaalsContact C-N 3.3Å; C242-T244 PolarHBondContact O-N 3.47Å; C242-T244 WeakPolarHBondContact SG-CG2 3.41Å; T244-L249 HydrophobicContact CG2-CB 3.96Å
245D96.4Very high95.3Very high95 Ų9553.9 Ų53.951%0.50829%0.29SS..  trans-71.2134.6172.3-173.5-74.4000110A247 V248 L249D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 VanDerWaalsContact O-N 3.12Å; D245-A247 WeakPolarHBondContact OD1-CA 3.49Å; D245-A247 WeakPolarHBondContact OD1-CB 3.4Å; D245-A247 PolarHBondContact OD1-N 2.95Å; D245-V248 HydrophobicContact CB-CB 4.41Å; D245-V248 HydrophobicContact CB-CG2 4.03Å; D245-V248 WeakPolarHBondContact O-CA 3.29Å; D245-V248 WeakPolarHBondContact O-CB 3.32Å; D245-V248 PolarHBondContact O-N 3.14Å; D245-L249 PolarHBondContact O-N 3.48Å; D245-L249 VanDerWaalsContact O-N 3.07Å
246P95.4Very high95.5Very high64 Ų6453.3 Ų53.342%0.41629%0.286SS..Hα-helixtrans-53.6-32.6178.4-27.334.6000114.2A239 L249 Q250A239-P246 HydrophobicContact CB-CB 4.28Å; A239-P246 HydrophobicContact CB-CG 3.98Å; P246-L249 PolarHBondContact O-N 3.44Å; P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.13Å; P246-Q250 PolarHBondContact O-N 3.34Å
247A96Very high95.5Very high65 Ų6549.5 Ų49.554%0.53727%0.268SS..Hα-helixtrans-68.9-34.2175.900000112.2D245 C251D245-A247 PolarHBondContact O-N 2.91Å; D245-A247 VanDerWaalsContact O-N 3.12Å; D245-A247 WeakPolarHBondContact OD1-CA 3.49Å; D245-A247 WeakPolarHBondContact OD1-CB 3.4Å; D245-A247 PolarHBondContact OD1-N 2.95Å; A247-C251 WeakPolarHBondContact O-CB 3.46Å; A247-C251 PolarHBondContact O-N 2.86Å
248V97Very high95.5Very high58 Ų5852.5 Ų52.535%0.35228%0.276SS..Hα-helixtrans-68.1-47.1174.3175.20000110L210 D245 Q250 C251 Y252L210-V248 HydrophobicContact CD1-CG1 4.36Å; L210-V248 HydrophobicContact CD2-CG1 4.03Å; D245-V248 HydrophobicContact CB-CB 4.41Å; D245-V248 HydrophobicContact CB-CG2 4.03Å; D245-V248 WeakPolarHBondContact O-CA 3.29Å; D245-V248 WeakPolarHBondContact O-CB 3.32Å; D245-V248 PolarHBondContact O-N 3.14Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.4Å; V248-C251 WeakPolarHBondContact O-CB 3.33Å; V248-C251 PolarHBondContact O-N 3.49Å; V248-Y252 HydrophobicContact CG1-CD2 4.08Å; V248-Y252 HydrophobicContact CG1-CE2 4.16Å; V248-Y252 WeakPolarHBondContact O-CD2 3.37Å; V248-Y252 PolarHBondContact O-N 3.5Å
249L97.1Very high95.4Very high0 Ų052.9 Ų52.90%028%0.279CS..Hα-helixtrans-56.4-47.4175177.162000111.2L210 A213 A214 S235 L238 A239 T244 D245 P246 C251 Y252 S253L210-L249 HydrophobicContact CD1-CD1 4.19Å; A213-L249 HydrophobicContact CB-CD1 3.7Å; A214-L249 HydrophobicContact CB-CD1 4.01Å; S235-L249 VanDerWaalsContact O-CD2 3.3Å; S235-L249 WeakPolarHBondContact O-CD2 3.47Å; L238-L249 HydrophobicContact CB-CD2 3.82Å; A239-L249 HydrophobicContact CB-CB 4.5Å; A239-L249 HydrophobicContact CB-CD2 3.93Å; T244-L249 HydrophobicContact CG2-CB 3.96Å; D245-L249 PolarHBondContact O-N 3.48Å; D245-L249 VanDerWaalsContact O-N 3.07Å; P246-L249 PolarHBondContact O-N 3.44Å; L249-C251 VanDerWaalsContact C-N 3.35Å; L249-C251 PolarHBondContact O-N 3.39Å; L249-Y252 PolarHBondContact O-N 3.23Å; L249-S253 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-OG 3.12Å
250Q95Very high95.1Very high62 Ų6255.9 Ų55.929%0.2930%0.295SS..Hα-helixtrans-60.2-44178.3-179.764.916.100112P246 V248 Y252 S253 E254P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.13Å; P246-Q250 PolarHBondContact O-N 3.34Å; V248-Q250 VanDerWaalsContact C-N 3.31Å; V248-Q250 PolarHBondContact O-N 3.4Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Q250-S253 PolarHBondContact O-N 3.01Å; Q250-E254 PolarHBondContact NE2-OE1 3.38Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 2.96Å
251C96.7Very high94.9Very high63 Ų6355.9 Ų55.943%0.42629%0.289SS..Hα-helixtrans-58.4-47.7177-176.20000111.2A247 V248 L249 S253 E254 M255A247-C251 WeakPolarHBondContact O-CB 3.46Å; A247-C251 PolarHBondContact O-N 2.86Å; V248-C251 WeakPolarHBondContact O-CB 3.33Å; V248-C251 PolarHBondContact O-N 3.49Å; L249-C251 VanDerWaalsContact C-N 3.35Å; L249-C251 PolarHBondContact O-N 3.39Å; C251-S253 PolarHBondContact O-N 2.94Å; C251-E254 PolarHBondContact O-N 3.15Å; C251-M255 WeakPolarHBondContact O-CG 3.41Å; C251-M255 PolarHBondContact O-N 3.48Å
252Y97.3Very high94.7Very high49 Ų4960.1 Ų60.119%0.19231%0.308CS..Hα-helixtrans-63.1-42177.3-88.2-101.7000112.5F203 A206 L210 I211 V248 L249 Q250 E254 M255 I256F203-Y252 AromaticContact CD1-CD1 3.74Å; F203-Y252 HydrophobicContact CD1-CD1 3.74Å; F203-Y252 AromaticContact CD1-CE1 3.8Å; F203-Y252 HydrophobicContact CD1-CE1 3.8Å; F203-Y252 AromaticContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CD1 3.81Å; F203-Y252 HydrophobicContact CE1-CE1 4.27Å; A206-Y252 HydrophobicContact CB-CD1 4.49Å; A206-Y252 HydrophobicContact CB-CE1 3.5Å; L210-Y252 HydrophobicContact CD1-CD2 4.46Å; L210-Y252 HydrophobicContact CD1-CG 4.39Å; L210-Y252 HydrophobicContact CD2-CD1 4.08Å; L210-Y252 HydrophobicContact CD2-CD2 3.67Å; L210-Y252 HydrophobicContact CD2-CE1 4Å; L210-Y252 HydrophobicContact CD2-CE2 3.55Å; L210-Y252 HydrophobicContact CD2-CG 3.92Å; L210-Y252 HydrophobicContact CG-CD1 4.21Å; L210-Y252 HydrophobicContact CG-CD2 4.24Å; L210-Y252 HydrophobicContact CG-CG 4.05Å; I211-Y252 HydrophobicContact CD1-CD1 4.14Å; I211-Y252 HydrophobicContact CD1-CE1 4.25Å; V248-Y252 HydrophobicContact CG1-CD2 4.08Å; V248-Y252 HydrophobicContact CG1-CE2 4.16Å; V248-Y252 WeakPolarHBondContact O-CD2 3.37Å; V248-Y252 PolarHBondContact O-N 3.5Å; L249-Y252 PolarHBondContact O-N 3.23Å; Q250-Y252 PolarHBondContact O-N 2.93Å; Y252-E254 VanDerWaalsContact C-N 3.31Å; Y252-E254 PolarHBondContact O-N 3.42Å; Y252-M255 HydrophobicContact CD1-CE 3.65Å; Y252-M255 HydrophobicContact CD2-CE 4.09Å; Y252-M255 HydrophobicContact CE1-CE 3.74Å; Y252-M255 HydrophobicContact CE2-CE 4.2Å; Y252-M255 HydrophobicContact CG-CE 3.84Å; Y252-M255 PolarHBondContact O-N 3.23Å; Y252-I256 VanDerWaalsContact O-CG1 3.29Å; Y252-I256 WeakPolarHBondContact O-CG1 3.39Å; Y252-I256 PolarHBondContact O-N 2.94Å
253S96.2Very high94.2Very high0 Ų063.8 Ų63.80%032%0.321CS..Hα-helixtrans-59.4-41.4174.2-67.70000112.5A214 N217 C218 L249 Q250 C251 I256 E257A214-S253 PolarHBondContact O-OG 3.26Å; N217-S253 WeakPolarHBondContact CB-OG 3.32Å; N217-S253 PolarHBondContact ND2-OG 2.99Å; C218-S253 VanDerWaalsContact SG-C 3.59Å; C218-S253 WeakPolarHBondContact SG-CA 3.27Å; C218-S253 VanDerWaalsContact SG-CB 3.55Å; C218-S253 PolarHBondContact SG-O 3.46Å; L249-S253 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-OG 3.12Å; Q250-S253 PolarHBondContact O-N 3.01Å; C251-S253 PolarHBondContact O-N 2.94Å; S253-I256 PolarHBondContact O-N 3.32Å; S253-E257 PolarHBondContact O-N 2.76Å
254E95.1Very high93.8Very high99 Ų9962.5 Ų62.546%0.46332%0.318SS..Hα-helixtrans-67.7-38.2177-72173.4-17600112.5Q250 C251 Y252 I256 E257 F258Q250-E254 PolarHBondContact NE2-OE1 3.38Å; Q250-E254 WeakPolarHBondContact O-CG 3.48Å; Q250-E254 PolarHBondContact O-N 2.96Å; C251-E254 PolarHBondContact O-N 3.15Å; Y252-E254 VanDerWaalsContact C-N 3.31Å; Y252-E254 PolarHBondContact O-N 3.42Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 3.02Å; E254-E257 PolarHBondContact O-N 2.92Å; E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 2.93Å
255M96Very high93.3Very high54 Ų5467.1 Ų67.127%0.26634%0.336SS..Hα-helixtrans-61.7-41.8173.6-67.8-166.3-45.800111.7F203 C251 Y252 F258 S259F203-M255 HydrophobicContact CD1-CE 4.26Å; F203-M255 HydrophobicContact CE1-CB 4.27Å; F203-M255 HydrophobicContact CE1-CE 3.78Å; F203-M255 HydrophobicContact CZ-CB 3.96Å; F203-M255 HydrophobicContact CZ-CE 4.32Å; C251-M255 WeakPolarHBondContact O-CG 3.41Å; C251-M255 PolarHBondContact O-N 3.48Å; Y252-M255 HydrophobicContact CD1-CE 3.65Å; Y252-M255 HydrophobicContact CD2-CE 4.09Å; Y252-M255 HydrophobicContact CE1-CE 3.74Å; Y252-M255 HydrophobicContact CE2-CE 4.2Å; Y252-M255 HydrophobicContact CG-CE 3.84Å; Y252-M255 PolarHBondContact O-N 3.23Å; M255-F258 PolarHBondContact O-N 2.9Å; M255-S259 WeakPolarHBondContact O-CB 3.48Å; M255-S259 PolarHBondContact O-N 3.17Å; M255-S259 PolarHBondContact O-OG 3.4Å
256I96.1Very high92.3Very high5 Ų566.3 Ų66.33%0.02634%0.338CS..Hα-helixtrans-63.1-49.6176.6-66.5173000110.3L193 C197 F203 A214 C218 Y252 S253 E254 F258 S259 L260L193-I256 HydrophobicContact CB-CG2 4.22Å; L193-I256 HydrophobicContact CD1-CG2 4.37Å; L193-I256 HydrophobicContact CD2-CG2 3.83Å; L193-I256 HydrophobicContact CG-CG2 4.36Å; C197-I256 WeakPolarHBondContact SG-CD1 3.36Å; C197-I256 WeakPolarHBondContact SG-CG1 3.48Å; F203-I256 HydrophobicContact CE1-CD1 4.41Å; F203-I256 HydrophobicContact CE1-CG1 3.72Å; F203-I256 HydrophobicContact CZ-CG1 3.64Å; A214-I256 HydrophobicContact CB-CD1 3.64Å; C218-I256 HydrophobicContact CB-CG2 4.37Å; Y252-I256 VanDerWaalsContact O-CG1 3.29Å; Y252-I256 WeakPolarHBondContact O-CG1 3.39Å; Y252-I256 PolarHBondContact O-N 2.94Å; S253-I256 PolarHBondContact O-N 3.32Å; E254-I256 VanDerWaalsContact C-N 3.34Å; E254-I256 PolarHBondContact O-N 3.02Å; I256-F258 VanDerWaalsContact C-N 3.32Å; I256-F258 PolarHBondContact O-N 2.94Å; I256-S259 PolarHBondContact O-N 3.25Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 PolarHBondContact O-N 3.39Å
257E93.5Very high90.6Very high32 Ų3266.3 Ų66.315%0.1535%0.35CS..Hα-helixtrans-58.8-42.8177.8-76.9-174.7-173.900112.4R221 S253 E254 L260 R261R221-E257 IonicContact CZ-OE1 3.17Å; R221-E257 IonicContact CZ-OE2 2.82Å; R221-E257 IonicContact NE-OE1 3.81Å; R221-E257 PolarHBondContact NE-OE1 3.03Å; R221-E257 IonicContact NH2-OE1 3.08Å; R221-E257 PolarHBondContact NH2-OE1 3.44Å; R221-E257 IonicContact NH2-OE2 2.71Å; R221-E257 PolarHBondContact NH2-OE2 2.99Å; S253-E257 PolarHBondContact O-N 2.76Å; E254-E257 PolarHBondContact O-N 2.92Å; E257-L260 PolarHBondContact O-N 3.21Å; E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.46Å; E257-R261 PolarHBondContact O-N 2.86Å; E257-R261 IonicContact OE2-NH2 3.02Å; E257-R261 PolarHBondContact OE2-NH2 2.86Å
258F92.6Very high88.3Confident116 Ų11670 Ų7051%0.50936%0.36SS..Hα-helixtrans-61.4-46.4176.9177.9-93.5000111.4E254 M255 I256 L260 R261 Q262E254-F258 WeakPolarHBondContact O-CB 3.36Å; E254-F258 PolarHBondContact O-N 2.93Å; M255-F258 PolarHBondContact O-N 2.9Å; I256-F258 VanDerWaalsContact C-N 3.32Å; I256-F258 PolarHBondContact O-N 2.94Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.23Å; F258-R261 PolarHBondContact O-N 3.18Å; F258-Q262 PolarHBondContact O-N 2.75Å
259S91.3Very high85.5Confident9 Ų974.2 Ų74.26%0.06338%0.376CS..Hα-helixtrans-62.5-41.5179.3-53.40000111.9R202 M255 I256 Q262 R263R202-S259 PolarHBondContact NH2-OG 3.08Å; M255-S259 WeakPolarHBondContact O-CB 3.48Å; M255-S259 PolarHBondContact O-N 3.17Å; M255-S259 PolarHBondContact O-OG 3.4Å; I256-S259 PolarHBondContact O-N 3.25Å; S259-Q262 PolarHBondContact O-N 3.31Å; S259-R263 WeakPolarHBondContact O-CG 3.16Å; S259-R263 PolarHBondContact O-N 3.33Å; S259-R263 VanDerWaalsContact O-N 3.14Å
260L91.1Very high82.6Confident64 Ų6479.4 Ų79.434%0.33541%0.41SS..Hα-helixtrans-61.6-48.3174.8-179.466.4000111.3L193 L196 I256 E257 F258 Q262 R263 L264L193-L260 HydrophobicContact CD2-CD2 4.16Å; L196-L260 HydrophobicContact CD1-CD1 4Å; I256-L260 WeakPolarHBondContact O-CB 3.46Å; I256-L260 PolarHBondContact O-N 3.39Å; E257-L260 PolarHBondContact O-N 3.21Å; F258-L260 VanDerWaalsContact C-N 3.34Å; F258-L260 PolarHBondContact O-N 3.23Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.11Å; L260-R263 PolarHBondContact O-N 3.01Å; L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.5Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.84Å
261R90.6Very high79.6Confident144 Ų14479.2 Ų79.254%0.54342%0.424SS..Hα-helixtrans-59.5-42.1178.5-73.6175.1-171.2151.913.6112E257 F258 L264 Q265E257-R261 VanDerWaalsContact O-CG 3.32Å; E257-R261 WeakPolarHBondContact O-CG 3.46Å; E257-R261 PolarHBondContact O-N 2.86Å; E257-R261 IonicContact OE2-NH2 3.02Å; E257-R261 PolarHBondContact OE2-NH2 2.86Å; F258-R261 PolarHBondContact O-N 3.18Å; R261-L264 PolarHBondContact O-N 3.47Å; R261-Q265 VanDerWaalsContact O-CG 3.27Å; R261-Q265 WeakPolarHBondContact O-CG 3.34Å; R261-Q265 PolarHBondContact O-N 3.4Å
262Q88.5Confident76.6Confident106 Ų10682.5 Ų82.550%0.49545%0.445SS..Hα-helixtrans-61.7-44.2178.1-171-17910.300111.6F258 S259 L260 Q265 S266F258-Q262 PolarHBondContact O-N 2.75Å; S259-Q262 PolarHBondContact O-N 3.31Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 3.11Å; Q262-Q265 PolarHBondContact O-N 3.46Å; Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.35Å
263R85.9Confident73.5Confident84 Ų8486 Ų8632%0.31747%0.472SS..Hα-helixtrans-66.1-40.3178.6-71.3-175.8-173.7-139.67.1112.9S259 L260 Q265 S266 G267S259-R263 WeakPolarHBondContact O-CG 3.16Å; S259-R263 PolarHBondContact O-N 3.33Å; S259-R263 VanDerWaalsContact O-N 3.14Å; L260-R263 PolarHBondContact O-N 3.01Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.98Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.11Å; R263-S266 PolarHBondContact O-OG 3.3Å; R263-G267 PolarHBondContact O-N 3.24Å
264L86.3Confident70.6Confident104 Ų10494.7 Ų94.755%0.54551%0.512SS..Hα-helixtrans-63.2-39.5175.3-68.8172.2000111.4L260 R261 L268L260-L264 HydrophobicContact CD1-CD1 4.42Å; L260-L264 HydrophobicContact CD1-CG 4.5Å; L260-L264 HydrophobicContact CG-CD1 4.1Å; L260-L264 WeakPolarHBondContact O-CG 3.34Å; L260-L264 PolarHBondContact O-N 2.84Å; R261-L264 PolarHBondContact O-N 3.47Å; L264-L268 WeakPolarHBondContact O-CD1 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 3.16Å
265Q85Confident67.8Low136 Ų13699.3 Ų99.364%0.63653%0.531SS*.Hα-helixtrans-69.5-39.4176.4-71.5171800112.6R261 Q262 R263 L268R261-Q265 VanDerWaalsContact O-CG 3.27Å; R261-Q265 WeakPolarHBondContact O-CG 3.34Å; R261-Q265 PolarHBondContact O-N 3.4Å; Q262-Q265 PolarHBondContact O-N 3.46Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.98Å; Q265-L268 PolarHBondContact O-N 3.43Å
266S76.1Confident64.7Low78 Ų78104.3 Ų104.355%0.54556%0.559SS.*Hα-helixtrans-69.8-33.2176.258.30000112.8Q262 R263 L268 Q269Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.35Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.11Å; R263-S266 PolarHBondContact O-OG 3.3Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.32Å; S266-Q269 PolarHBondContact O-N 2.97Å
267G60.4Low61.9Low65 Ų65112.6 Ų112.667%0.6760%0.597SS**Hα-helixtrans-73.3-14175.900000114.5R263R263-G267 PolarHBondContact O-N 3.24Å
268L46.7Very low59.1Low141 Ų141119.9 Ų119.974%0.73863%0.631SS**THydrogen-bonded Turntrans-93.4-1.3176.5-77.4163.3000113.6L264 Q265 S266 P270L264-L268 WeakPolarHBondContact O-CD1 3.28Å; L264-L268 WeakPolarHBondContact O-CG 3.34Å; L264-L268 PolarHBondContact O-N 3.16Å; Q265-L268 PolarHBondContact O-N 3.43Å; S266-L268 VanDerWaalsContact C-N 3.26Å; S266-L268 PolarHBondContact O-N 3.32Å; L268-P270 WeakPolarHBondContact O-CD 3.39Å
269Q37.9Very low56.5Low148 Ų148120.6 Ų120.669%0.69265%0.645SS**SBendtrans-72.6118.5169-69.6-81.6-5.300107.8S266 G271S266-Q269 PolarHBondContact O-N 2.97Å; Q269-G271 PolarHBondContact O-N 3.26Å
270P37.1Very low53.9Low109 Ų109128.5 Ų128.571%0.70868%0.681SS**PPolyproline II helixtrans-58.4130.9168.324.6-28.8000107.1L268L268-P270 WeakPolarHBondContact O-CD 3.39Å
271G31.6Very low51.2Low57 Ų57133 Ų13359%0.58871%0.705SS**PPolyproline II helixtrans-48.5152.8171.300000110Q269 T273Q269-G271 PolarHBondContact O-N 3.26Å; G271-T273 PolarHBondContact O-N 2.83Å
272P33.2Very low48.7Very low132 Ų132135.2 Ų135.286%0.85772%0.722SS**  trans-53.1112.4-17824.1-32.8000108.1E274P272-E274 PolarHBondContact O-N 3.05Å
273T32.4Very low46.4Very low124 Ų124141.2 Ų141.276%0.76174%0.74SS**  trans-44.3118168.440.10000106.9G271 K275G271-T273 PolarHBondContact O-N 2.83Å; T273-K275 PolarHBondContact O-N 3.06Å
274E35.1Very low44.1Very low182 Ų182143.8 Ų143.885%0.8577%0.767SS**  trans-41.4119.8163.2-69.6179153.600106.3P272 D276P272-E274 PolarHBondContact O-N 3.05Å; E274-D276 PolarHBondContact O-N 2.81Å
275K35.8Very low41.5Very low195 Ų195142.5 Ų142.585%0.84878%0.78SS**  trans-58.5115.3170.2-71.7179175.5178.60104.8T273 E277T273-K275 PolarHBondContact O-N 3.06Å; K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 2.98Å
276D32.5Very low39.2Very low160 Ų160142.6 Ų142.686%0.85679%0.79SS**  trans-45.699.6159.6-80.6-45000106.8E274 E278E274-D276 PolarHBondContact O-N 2.81Å; D276-E278 PolarHBondContact O-N 3.16Å; D276-E278 VanDerWaalsContact O-N 3.16Å
277E36Very low38Very low179 Ų179144.1 Ų144.184%0.83680%0.797SS**  trans-65.7109.7155.7-76.3-167.1158.800104.6K275 V279K275-E277 VanDerWaalsContact C-N 3.26Å; K275-E277 PolarHBondContact O-N 2.98Å; E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.81Å
278E34.6Very low37Very low184 Ų184147.1 Ų147.186%0.8680%0.803SS**  trans-51.498.5169.7-69.1179.5150.500108.5D276 E280D276-E278 PolarHBondContact O-N 3.16Å; D276-E278 VanDerWaalsContact O-N 3.16Å; E278-E280 PolarHBondContact O-N 3.2Å
279V37.5Very low36.6Very low132 Ų132147.4 Ų147.480%0.881%0.805SS**  trans-66.899.4167.1176.20000106.2E277 N281E277-V279 VanDerWaalsContact C-N 3.32Å; E277-V279 PolarHBondContact O-N 2.81Å; V279-N281 PolarHBondContact O-N 2.99Å
280E37.2Very low37.1Very low175 Ų175148.4 Ų148.482%0.81881%0.812SS**  trans-55122.5166.7-81.5-166.9144.400109E278 E282E278-E280 PolarHBondContact O-N 3.2Å; E280-E282 PolarHBondContact O-N 2.95Å
281N34.9Very low37.3Very low158 Ų158153.8 Ų153.885%0.84582%0.818SS**  trans-63.991.3177.4-102-44000111V279 R283V279-N281 PolarHBondContact O-N 2.99Å; N281-R283 PolarHBondContact O-N 3.35Å
282E37.2Very low37.8Very low191 Ų191158.7 Ų158.789%0.89383%0.826SS**  trans-79.7108.1160.1-72.2-154.9149.900110.1E280E280-E282 PolarHBondContact O-N 2.95Å
283R41.2Very low38.4Very low231 Ų231159.4 Ų159.487%0.87282%0.821SS**  trans-62.6140.9175.3-70172.9173.8170.7-1.4110.9N281 G285N281-R283 PolarHBondContact O-N 3.35Å; R283-G285 PolarHBondContact O-N 3.35Å
284P36.3Very low38.7Very low138 Ų138160.9 Ų160.990%0.89682%0.824SS**  trans-76.1118.7172.629.3-30.4000110.5
285G33.7Very low39.5Very low78 Ų78165 Ų16580%0.80484%0.839SS**  trans-132.9104.7169.200000110.8R283R283-G285 PolarHBondContact O-N 3.35Å
286T35.1Very low39.7Very low138 Ų138163.5 Ų163.585%0.84784%0.839SS**  trans-90.9165.2160.540.10000109.9
287P51.3Low40Very low109 Ų109163.6 Ų163.671%0.70884%0.838SS**  cis-134.3-170.4-26.732.8-12.3000111.8
288T40Very low40.3Very low128 Ų128162.8 Ų162.879%0.78584%0.838SS**  trans102.9102.9158-25.40000116.2
289D37.6Very low40.6Very low148 Ų148161.5 Ų161.579%0.79184%0.837SS**  -163.7130.2101.8-136-14.4000111.6
290M49Very low40.8Very low169 Ų169163.4 Ų163.483%0.83384%0.839SS**  trans-84.8134.5170.8-96.9-174.1-82.900108.7
291R41.8Very low41Very low222 Ų222162.6 Ų162.684%0.83884%0.841SS**  trans163.3134.3152.2-90.3159.3-150.1-142.68.9106.1
292E41Very low41.5Very low160 Ų160162.9 Ų162.975%0.74884%0.84SS**  cis-153.8146.815.2-100151.2-166.200107
293I46.1Very low41.8Very low147 Ų147160.8 Ų160.875%0.75484%0.836SS**  trans-89.1125.1167.2-63.7164000105.8
294D39.7Very low41.8Very low154 Ų154154.9 Ų154.982%0.82483%0.834SS**  trans-116.2133.5157.6-85.6-32.1000108.6
295F50.3Low42.3Very low268 Ų268156.5 Ų156.5100%1.17583%0.828SS**  trans-67.40-168.5-70.7-92.1000114.7

Retrieved 295 of 295 residues in 512.8 ms (Link to these results)