A0A087YQS6_POEFO Loading...

Growth arrest-specific 1b

AlphaFold DB , UniProt , Accession A0A087YQS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1V37.2Very low35.9Very low186 Ų186149.7 Ų149.7100%1.12783%0.829SS**  0107.801760000106.9
2F28.4Very low35.6Very low203 Ų203143.9 Ų143.989%0.8983%0.829SS**  trans20.1126.2161.5-60.4-89.7000118.4
3G29.1Very low36.1Very low64 Ų64141.5 Ų141.566%0.6683%0.825SS**  cis112.813517.500000111.1
4V32.4Very low36Very low144 Ų144146.6 Ų146.687%0.87383%0.833SS**  trans80.5143.1145.8-175.30000115.4
5Q31Very low36.3Very low162 Ų162148 Ų14876%0.75783%0.83SS**  cis176156.8-12177.369.326.700105.6
6R40.6Very low36.4Very low199 Ų199144.3 Ų144.375%0.75181%0.811SS**  trans-56.4172.7170.6-53173.9171.5-157.7-3.4113.5
7P45.4Very low36.8Very low124 Ų124146.6 Ų146.681%0.80581%0.811SS**  -147.2-173.78223.21.3000112.8
8L36.3Very low37.4Very low122 Ų122147.3 Ų147.364%0.63981%0.811SS**  cis167.6131.5-30.8-153.990.8000105.5
9R39.7Very low37.6Very low232 Ų232145.6 Ų145.688%0.87581%0.809SS**  trans62.7123.9153.1-76.4174.4175.1-175.4-5.2121.5
10A34.2Very low37.7Very low109 Ų109144.9 Ų144.990%0.90181%0.813SS**  -145.2109.4126.400000108.7
11A40.2Very low38.2Very low102 Ų102146.4 Ų146.484%0.84381%0.814SS**  trans-109116.3165.100000105.9
12G33.2Very low38.7Very low80 Ų80145.2 Ų145.283%0.82580%0.8SS**  trans-124.6113.117400000108.3
13S41.7Very low39.9Very low112 Ų112142.6 Ų142.678%0.78379%0.794SS**  trans-76.7133.2174.5-20.60000109.6
14F34.4Very low40.9Very low213 Ų213146.4 Ų146.493%0.93480%0.798SS**  trans-144.5116.9151.6-114.9-88000110.3
15E40.3Very low41.8Very low168 Ų168144.3 Ų144.379%0.78580%0.795SS**  trans-37.9167.6162-77.4-142.8135.900115.9
16V38.9Very low43.1Very low88 Ų88143.6 Ų143.653%0.53380%0.795SS.*  cis-178.5144-7140.60000104.8
17K42.9Very low43.4Very low184 Ų184136.9 Ų136.980%0.879%0.788SS**  trans57.2128.7159.7-73.6163.5-173.3171.90119
18I48.3Very low43.8Very low160 Ų160137 Ų13782%0.82179%0.792SS**  -177.1125109.6-90.8154.9000110.8
19C39.8Very low44.3Very low115 Ų115137.4 Ų137.478%0.77780%0.803SS**  trans59.4106.8152.6-670000121.7
20C39.8Very low44.7Very low131 Ų131129.7 Ų129.789%0.88580%0.796SS**  -159.792.1116.4-1100000111
21E48.2Very low45.1Very low177 Ų177127.6 Ų127.683%0.82779%0.786SS**  trans-73.3110.7152.6-79-71.7160.900107.8
22L48Very low45.4Very low160 Ų160127 Ų12784%0.83878%0.775SS**  trans-174.990151.7-104.6142.5000110.6
23I54.2Low45.9Very low149 Ų149128.9 Ų128.976%0.76477%0.773SS**  trans21.6105.6142.4-49.7178.8000116.2
24I49Very low46.1Very low143 Ų143130.5 Ų130.573%0.73377%0.773SS**  -138.9112.7129.1-56.3-175000108.1I26I24-I26 HydrophobicContact CB-CG1 4.33Å; I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.68Å; I24-I26 PolarHBondContact O-N 3.35Å
25A52.4Low46.6Very low100 Ų100126.8 Ų126.883%0.82676%0.758SS**  trans-59.199.6162.300000109.3
26I57.3Low47.2Very low147 Ų147126.4 Ų126.475%0.75476%0.762SS**  trans-116.582159.4-33.7175.4000102.9I24I24-I26 HydrophobicContact CB-CG1 4.33Å; I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.68Å; I24-I26 PolarHBondContact O-N 3.35Å
27G48.2Very low48.3Very low59 Ų59128.8 Ų128.861%0.60877%0.766SS**  66.678.586.900000107.3C29G27-C29 VanDerWaalsContact C-N 3.26Å; G27-C29 PolarHBondContact O-N 3.21Å
28S53Low49.9Very low127 Ų127124 Ų12489%0.88874%0.743SS**  trans-57.789.3172.4-56.70000109.5G30S28-G30 PolarHBondContact O-N 3Å
29C47.4Very low51.7Low129 Ų129117.7 Ų117.787%0.87271%0.713SS**  trans-79.164.1159.2-87.40000108.7G27 G31G27-C29 VanDerWaalsContact C-N 3.26Å; G27-C29 PolarHBondContact O-N 3.21Å; C29-G31 PolarHBondContact O-N 2.82Å
30G48.2Very low54.3Low70 Ų70114.4 Ų114.472%0.72269%0.689SS**  trans-7169.6149.400000107.7S28 S32S28-G30 PolarHBondContact O-N 3Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.81Å
31G41.2Very low56.8Low66 Ų66108.7 Ų108.768%0.6865%0.65SS**  trans-64.697.3170.500000107.9C29 P33C29-G31 PolarHBondContact O-N 2.82Å; G31-P33 VanDerWaalsContact O-CD 3.27Å; G31-P33 WeakPolarHBondContact O-CD 3.43Å
32S46.2Very low58.9Low88 Ų88108 Ų10862%0.61564%0.64SS**  trans-57.3119.5163.4-75.40000108.1G30 N34G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.81Å; S32-N34 PolarHBondContact O-N 3.02Å
33P44.8Very low61.1Low121 Ų121105 Ų10579%0.78662%0.62SS**  trans-7965166.433.4-30000108G31 H35G31-P33 VanDerWaalsContact O-CD 3.27Å; G31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-H35 PolarHBondContact O-N 3.4Å
34N46.6Very low63Low146 Ų14697.9 Ų97.978%0.78158%0.584SS**  trans-89.965.7161-92.8-60.8000108S32S32-N34 PolarHBondContact O-N 3.02Å
35H44Very low65.1Low134 Ų13493 Ų9362%0.6256%0.559SS**  trans-114.193168.4-77.6-55.1000107.1P33 H37P33-H35 PolarHBondContact O-N 3.4Å; H35-H37 HydrophobicContact CB-CB 4.11Å; H35-H37 WeakPolarHBondContact CB-CD2 3.39Å; H35-H37 AromaticContact CE1-CD2 3.92Å; H35-H37 AromaticContact CE1-NE2 3.38Å; H35-H37 PolarHBondContact CE1-NE2 3.41Å; H35-H37 AromaticContact CG-CD2 3.19Å; H35-H37 AromaticContact CG-NE2 3.48Å; H35-H37 AromaticContact ND1-CD2 3.14Å; H35-H37 PolarHBondContact ND1-CD2 3.04Å; H35-H37 AromaticContact ND1-CE1 3.74Å; H35-H37 AromaticContact ND1-NE2 2.86Å; H35-H37 PolarHBondContact ND1-NE2 3.27Å; H35-H37 PolarHBondContact O-N 3.05Å
36N52.4Low67.1Low161 Ų16193 Ų9386%0.86154%0.544SS*.  trans-65.248155.3-16074.7000109.4R38N36-R38 PolarHBondContact O-N 3.05Å
37H62.3Low68.9Low137 Ų13791.2 Ų91.263%0.63453%0.528SS*.  trans-82.2102.2-179.7-83.6-40.1000107.6H35H35-H37 HydrophobicContact CB-CB 4.11Å; H35-H37 WeakPolarHBondContact CB-CD2 3.39Å; H35-H37 AromaticContact CE1-CD2 3.92Å; H35-H37 AromaticContact CE1-NE2 3.38Å; H35-H37 PolarHBondContact CE1-NE2 3.41Å; H35-H37 AromaticContact CG-CD2 3.19Å; H35-H37 AromaticContact CG-NE2 3.48Å; H35-H37 AromaticContact ND1-CD2 3.14Å; H35-H37 PolarHBondContact ND1-CD2 3.04Å; H35-H37 AromaticContact ND1-CE1 3.74Å; H35-H37 AromaticContact ND1-NE2 2.86Å; H35-H37 PolarHBondContact ND1-NE2 3.27Å; H35-H37 PolarHBondContact O-N 3.05Å
38R76.5Confident71.2Confident84 Ų8488.4 Ų88.432%0.31750%0.499SS..  trans-29.3114159.3-151.7179.7155.4148.5-1.2110.2N36 E97 D98 C99N36-R38 PolarHBondContact O-N 3.05Å; R38-E97 PolarHBondContact NH2-O 2.8Å; R38-D98 WeakPolarHBondContact CD-OD1 3.5Å; R38-D98 HydrophobicContact CG-CB 4.37Å; R38-D98 WeakPolarHBondContact CG-O 3.34Å; R38-D98 IonicContact CZ-OD1 3.92Å; R38-D98 VanDerWaalsContact NE-CA 3.34Å; R38-D98 PolarHBondContact NE-O 2.96Å; R38-D98 IonicContact NE-OD1 2.71Å; R38-D98 PolarHBondContact NE-OD1 2.85Å; R38-D98 VanDerWaalsContact NE-OD1 3.17Å; R38-D98 IonicContact NH1-OD1 3.46Å; R38-D98 PolarHBondContact NH1-OD1 3.46Å; R38-D98 VanDerWaalsContact NH2-C 3.31Å; R38-D98 IonicContact NH2-OD1 3.04Å; R38-C99 VanDerWaalsContact CZ-N 3.26Å; R38-C99 PolarHBondContact NE-O 3.42Å; R38-C99 PolarHBondContact NH2-O 2.04Å
39P87Confident73.2Confident28 Ų2886.4 Ų86.418%0.18248%0.476CS..  trans-66.4151.2-17828.1-34.6000110.1C41 A44 D95 C99 D100P39-C41 PolarHBondContact O-N 3.11Å; P39-A44 HydrophobicContact CG-CB 4.33Å; P39-D95 HydrophobicContact CG-CB 4.48Å; P39-C99 CarbonylContact O-C 3.52Å; P39-C99 WeakPolarHBondContact O-CA 3.41Å; P39-C99 WeakPolarHBondContact O-CB 3.34Å; P39-D100 PolarHBondContact O-N 3.33Å
40V92.7Very high75.5Confident46 Ų4683.8 Ų83.828%0.27947%0.471SS..BIsolated β-bridgetrans-62.3138.1173.3-165.80000109.7W42 K43 A44 D100 A102V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 HydrophobicContact CG1-CG 4.34Å; V40-W42 VanDerWaalsContact CG1-NE1 3.27Å; V40-W42 PolarHBondContact O-N 3.45Å; V40-K43 WeakPolarHBondContact O-CA 3.15Å; V40-K43 VanDerWaalsContact O-CB 3.24Å; V40-K43 WeakPolarHBondContact O-CB 3.36Å; V40-K43 PolarHBondContact O-N 3.41Å; V40-A44 PolarHBondContact O-N 3.31Å; V40-A44 VanDerWaalsContact O-N 3.1Å; V40-D100 CarbonylContact C-O 3.58Å; V40-D100 VanDerWaalsContact CA-O 3.26Å; V40-D100 WeakPolarHBondContact CA-O 3.06Å; V40-D100 VanDerWaalsContact CG1-O 3.24Å; V40-D100 WeakPolarHBondContact CG1-O 3.36Å; V40-A102 HydrophobicContact CG1-CB 4.33Å
41C92.9Very high77.7Confident10 Ų1082.4 Ų82.47%0.06845%0.445CS..Hα-helixtrans-55.3-41.1-171.5-72.40000114.6P39 K43 A44 I45 C99 D100 C107P39-C41 PolarHBondContact O-N 3.11Å; C41-K43 PolarHBondContact O-N 3.44Å; C41-A44 PolarHBondContact O-N 3.04Å; C41-A44 VanDerWaalsContact O-N 3.17Å; C41-I45 VanDerWaalsContact O-CG1 3.29Å; C41-I45 WeakPolarHBondContact O-CG1 3.47Å; C41-I45 PolarHBondContact O-N 2.82Å; C41-C99 VanDerWaalsContact CA-CB 3.42Å; C41-C99 WeakPolarHBondContact CA-SG 3.09Å; C41-C99 HydrophobicContact CB-CB 3.79Å; C41-C99 WeakPolarHBondContact CB-SG 3.14Å; C41-C99 WeakPolarHBondContact SG-CB 3.07Å; C41-C99 PolarHBondContact SG-O 2.01Å; C41-C99 CovalentContact SG-SG 2.03Å; C41-C99 PolarHBondContact SG-SG 3.19Å; C41-D100 PolarHBondContact N-O 3.04Å; C41-C107 PolarHBondContact SG-SG 2.03Å
42W92.2Very high80.3Confident164 Ų16482.4 Ų82.462%0.62144%0.439SS*.Hα-helixtrans-61.8-32.9175.968.8-97.2000112.3V40 I45 L46V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 HydrophobicContact CG1-CG 4.34Å; V40-W42 VanDerWaalsContact CG1-NE1 3.27Å; V40-W42 PolarHBondContact O-N 3.45Å; W42-I45 PolarHBondContact O-N 3.49Å; W42-L46 HydrophobicContact CE3-CD1 3.53Å; W42-L46 HydrophobicContact CE3-CG 4.44Å; W42-L46 HydrophobicContact CZ3-CD1 3.51Å; W42-L46 WeakPolarHBondContact O-CG 3.28Å; W42-L46 PolarHBondContact O-N 3.48Å
43K94.2Very high82.6Confident96 Ų9685 Ų8542%0.41744%0.442SS..Hα-helixtrans-71.8-38.4176.4-173.4178.7-178.4176.30111.4V40 C41 L46 R47V40-K43 WeakPolarHBondContact O-CA 3.15Å; V40-K43 VanDerWaalsContact O-CB 3.24Å; V40-K43 WeakPolarHBondContact O-CB 3.36Å; V40-K43 PolarHBondContact O-N 3.41Å; C41-K43 PolarHBondContact O-N 3.44Å; K43-L46 PolarHBondContact O-N 3.3Å; K43-R47 WeakPolarHBondContact O-CG 3.4Å; K43-R47 PolarHBondContact O-N 2.94Å
44A93.9Very high85Confident0 Ų079.3 Ų79.30%040%0.404CS..Hα-helixtrans-63.6-43.317300000111.2P39 V40 C41 L46 R47 C48 D95 L96 C99P39-A44 HydrophobicContact CG-CB 4.33Å; V40-A44 PolarHBondContact O-N 3.31Å; V40-A44 VanDerWaalsContact O-N 3.1Å; C41-A44 PolarHBondContact O-N 3.04Å; C41-A44 VanDerWaalsContact O-N 3.17Å; A44-L46 PolarHBondContact O-N 2.9Å; A44-R47 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-N 2.91Å; A44-D95 HydrophobicContact CB-CB 4.02Å; A44-L96 HydrophobicContact CB-CD2 3.79Å; A44-C99 HydrophobicContact CB-CB 4.07Å
45I94.2Very high87.4Confident41 Ų4179.2 Ų79.221%0.2139%0.393CS..Hα-helixtrans-59-46.5175.2-66.9165.3000111C41 W42 R47 C48 Q49 Y58 L96C41-I45 VanDerWaalsContact O-CG1 3.29Å; C41-I45 WeakPolarHBondContact O-CG1 3.47Å; C41-I45 PolarHBondContact O-N 2.82Å; W42-I45 PolarHBondContact O-N 3.49Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 3.24Å; I45-C48 PolarHBondContact O-N 3.36Å; I45-Q49 HydrophobicContact CG2-CG 4.24Å; I45-Q49 WeakPolarHBondContact O-CB 3.19Å; I45-Q49 WeakPolarHBondContact O-CG 3.46Å; I45-Q49 PolarHBondContact O-N 2.98Å; I45-Y58 HydrophobicContact CG1-CE2 4.39Å; I45-Y58 HydrophobicContact CG2-CE1 4.34Å; I45-L96 HydrophobicContact CB-CD2 4.34Å; I45-L96 HydrophobicContact CG1-CD2 3.52Å
46L94.6Very high89.9Confident98 Ų9880 Ų8051%0.51339%0.392SS..Hα-helixtrans-60.3-38.5178-75.7173.9000112.9W42 K43 A44 Q49 G50W42-L46 HydrophobicContact CE3-CD1 3.53Å; W42-L46 HydrophobicContact CE3-CG 4.44Å; W42-L46 HydrophobicContact CZ3-CD1 3.51Å; W42-L46 WeakPolarHBondContact O-CG 3.28Å; W42-L46 PolarHBondContact O-N 3.48Å; K43-L46 PolarHBondContact O-N 3.3Å; A44-L46 PolarHBondContact O-N 2.9Å; L46-Q49 PolarHBondContact O-N 2.84Å; L46-G50 PolarHBondContact O-N 3.41Å
47R94.8Very high92Very high110 Ų11072.6 Ų72.642%0.41535%0.353SS..Hα-helixtrans-65.1-45.7175.5-71.5173.2175.4-179-3.6111.4K43 A44 I45 Q49 G50 H92K43-R47 WeakPolarHBondContact O-CG 3.4Å; K43-R47 PolarHBondContact O-N 2.94Å; A44-R47 PolarHBondContact O-N 3.49Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 3.24Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.96Å; R47-G50 PolarHBondContact O-N 3.11Å; R47-H92 HydrophobicContact CB-CB 4.36Å
48C95.6Very high93.6Very high1 Ų168 Ų681%0.00733%0.331CS..Hα-helixtrans-61.2-41176-179.50000112.1A44 I45 G50 E51 C54 R55 H92 L96A44-C48 PolarHBondContact O-N 2.91Å; I45-C48 PolarHBondContact O-N 3.36Å; C48-G50 PolarHBondContact O-N 3.1Å; C48-E51 PolarHBondContact O-N 3.44Å; C48-C54 WeakPolarHBondContact CA-SG 3.08Å; C48-C54 HydrophobicContact CB-CB 4.08Å; C48-C54 WeakPolarHBondContact CB-SG 3.48Å; C48-C54 WeakPolarHBondContact O-CB 3.03Å; C48-C54 WeakPolarHBondContact SG-CB 3.05Å; C48-C54 PolarHBondContact SG-O 3.42Å; C48-C54 VanDerWaalsContact SG-O 3.33Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; C48-R55 PolarHBondContact O-N 2.89Å; C48-H92 HydrophobicContact CB-CB 4.29Å; C48-L96 HydrophobicContact CB-CD1 4.38Å
49Q94.9Very high94.5Very high84 Ų8467.3 Ų67.339%0.39333%0.333SS..Hα-helixtrans-66.9-24.2177.8-73.3-179-0.100113.7I45 L46 R47 E51I45-Q49 HydrophobicContact CG2-CG 4.24Å; I45-Q49 WeakPolarHBondContact O-CB 3.19Å; I45-Q49 WeakPolarHBondContact O-CG 3.46Å; I45-Q49 PolarHBondContact O-N 2.98Å; L46-Q49 PolarHBondContact O-N 2.84Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.96Å; Q49-E51 PolarHBondContact O-N 3.41Å
50G95.6Very high95Very high74 Ų7469.1 Ų69.176%0.76334%0.339SS*.THydrogen-bonded Turntrans-70.8-15.9172.600000113.8L46 R47 C48L46-G50 PolarHBondContact O-N 3.41Å; R47-G50 PolarHBondContact O-N 3.11Å; C48-G50 PolarHBondContact O-N 3.1Å
51E95.3Very high95.1Very high41 Ų4167.9 Ų67.919%0.19233%0.33CS..SBendtrans-106123.2178.5177.8-177.7-177.600109.6C48 Q49 E53 C54 R55 R91 H92C48-E51 PolarHBondContact O-N 3.44Å; Q49-E51 PolarHBondContact O-N 3.41Å; E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.47Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 HydrophobicContact CG-CB 3.91Å; E51-C54 PolarHBondContact O-N 3.21Å; E51-C54 WeakPolarHBondContact OE2-CB 3.38Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.46Å; E51-R55 PolarHBondContact O-N 3.28Å; E51-R91 WeakPolarHBondContact OE1-CB 3.29Å; E51-R91 PolarHBondContact OE1-N 3.13Å; E51-R91 WeakPolarHBondContact OE2-CB 3.31Å; E51-H92 IonicContact OE2-CD2 3.17Å; E51-H92 PolarHBondContact OE2-CD2 3.09Å; E51-H92 IonicContact OE2-CG 3.37Å; E51-H92 PolarHBondContact OE2-N 3.4Å
52A95.9Very high95.2Very high67 Ų6770.6 Ų70.655%0.55434%0.343SS*.Hα-helixtrans-60.6-41.4-174.600000112.8Y56A52-Y56 PolarHBondContact O-N 3.4Å; A52-Y56 VanDerWaalsContact O-N 3.09Å
53E93.4Very high95.5Very high143 Ų14368.8 Ų68.867%0.66834%0.341SS*.Hα-helixtrans-69.2-46.4179.4-61.7-169.6170.900111.8E51 R55 Y56 A57E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.47Å; E53-R55 PolarHBondContact O-N 3.24Å; E53-Y56 PolarHBondContact O-N 3.25Å; E53-A57 WeakPolarHBondContact O-CB 3.49Å; E53-A57 PolarHBondContact O-N 3.08Å
54C95.9Very high95.5Very high0 Ų064.9 Ų64.90%033%0.327CS..Hα-helixtrans-62.5-43.2176.1-166.50000111.6C48 E51 Y56 A57 Y58 T90 G93C48-C54 WeakPolarHBondContact CA-SG 3.08Å; C48-C54 HydrophobicContact CB-CB 4.08Å; C48-C54 WeakPolarHBondContact CB-SG 3.48Å; C48-C54 WeakPolarHBondContact O-CB 3.03Å; C48-C54 WeakPolarHBondContact SG-CB 3.05Å; C48-C54 PolarHBondContact SG-O 3.42Å; C48-C54 VanDerWaalsContact SG-O 3.33Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 HydrophobicContact CG-CB 3.91Å; E51-C54 PolarHBondContact O-N 3.21Å; E51-C54 WeakPolarHBondContact OE2-CB 3.38Å; C54-Y56 VanDerWaalsContact C-N 3.33Å; C54-Y56 PolarHBondContact O-N 3.1Å; C54-A57 PolarHBondContact O-N 3.27Å; C54-Y58 WeakPolarHBondContact O-CB 3.48Å; C54-Y58 PolarHBondContact O-N 3.09Å; C54-T90 HydrophobicContact CB-CG2 4.31Å; C54-T90 PolarHBondContact SG-OG1 2.99Å; C54-G93 PolarHBondContact SG-N 3.17Å
55R97Very high95.6Very high144 Ų14464.9 Ų64.954%0.54333%0.327SS..Hα-helixtrans-57.8-44.9175.4-175.2172.961.9-169.2-0.3112.2C48 E51 E53 Y58 D59C48-R55 PolarHBondContact O-N 2.89Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.46Å; E51-R55 PolarHBondContact O-N 3.28Å; E53-R55 PolarHBondContact O-N 3.24Å; R55-Y58 PolarHBondContact O-N 2.85Å; R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.09Å
56Y96.9Very high95.7Very high151 Ų15165.2 Ų65.259%0.59234%0.336SS*.Hα-helixtrans-63.4-48.9176.7177-98000111.3A52 E53 C54 Y58 D59 Q60A52-Y56 PolarHBondContact O-N 3.4Å; A52-Y56 VanDerWaalsContact O-N 3.09Å; E53-Y56 PolarHBondContact O-N 3.25Å; C54-Y56 VanDerWaalsContact C-N 3.33Å; C54-Y56 PolarHBondContact O-N 3.1Å; Y56-Y58 VanDerWaalsContact C-N 3.29Å; Y56-Y58 PolarHBondContact O-N 3.31Å; Y56-D59 PolarHBondContact O-N 3.39Å; Y56-Q60 HydrophobicContact CD1-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 3.87Å; Y56-Q60 HydrophobicContact CE2-CG 4.35Å; Y56-Q60 WeakPolarHBondContact O-CG 3.4Å; Y56-Q60 PolarHBondContact O-N 3.16Å
57A95.9Very high95.7Very high6 Ų662 Ų625%0.0532%0.322CS..Hα-helixtrans-61.8-37.3178.800000112.5E53 C54 Q60 Y61 L87 T90E53-A57 WeakPolarHBondContact O-CB 3.49Å; E53-A57 PolarHBondContact O-N 3.08Å; C54-A57 PolarHBondContact O-N 3.27Å; A57-Q60 PolarHBondContact O-N 3.1Å; A57-Y61 WeakPolarHBondContact O-CB 3.46Å; A57-Y61 PolarHBondContact O-N 3.45Å; A57-L87 HydrophobicContact CB-CB 4.27Å; A57-L87 HydrophobicContact CB-CD1 4.03Å; A57-T90 HydrophobicContact CB-CG2 4.1Å
58Y95.9Very high95.7Very high41 Ų4157.1 Ų57.116%0.16130%0.304CS..Hα-helixtrans-65.1-43.2177.4-176.6-104.2000111.7I45 C54 R55 Y56 Y61 L62 L87 L96I45-Y58 HydrophobicContact CG1-CE2 4.39Å; I45-Y58 HydrophobicContact CG2-CE1 4.34Å; C54-Y58 WeakPolarHBondContact O-CB 3.48Å; C54-Y58 PolarHBondContact O-N 3.09Å; R55-Y58 PolarHBondContact O-N 2.85Å; Y56-Y58 VanDerWaalsContact C-N 3.29Å; Y56-Y58 PolarHBondContact O-N 3.31Å; Y58-Y61 HydrophobicContact CD2-CD1 4.07Å; Y58-Y61 HydrophobicContact CE2-CD1 4.14Å; Y58-Y61 HydrophobicContact CE2-CE1 4.17Å; Y58-Y61 WeakPolarHBondContact O-CB 3.47Å; Y58-Y61 PolarHBondContact O-N 3.01Å; Y58-L62 HydrophobicContact CD1-CD1 4.07Å; Y58-L62 HydrophobicContact CE1-CD1 3.64Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 WeakPolarHBondContact O-CG 3.45Å; Y58-L62 PolarHBondContact O-N 2.83Å; Y58-L87 HydrophobicContact CD2-CD2 4.22Å; Y58-L96 HydrophobicContact CD2-CD1 3.62Å; Y58-L96 HydrophobicContact CE2-CD1 3.9Å
59D96.6Very high95.6Very high69 Ų6959.3 Ų59.337%0.36932%0.315SS..Hα-helixtrans-63.3-43.1175-17569.9000111.8R55 Y56 Y61 L62 H63R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.09Å; Y56-D59 PolarHBondContact O-N 3.39Å; D59-Y61 VanDerWaalsContact C-N 3.32Å; D59-Y61 PolarHBondContact O-N 2.88Å; D59-L62 PolarHBondContact O-N 2.75Å; D59-H63 PolarHBondContact O-N 3.24Å; D59-H63 VanDerWaalsContact O-N 3.11Å; D59-H63 PolarHBondContact O-ND1 3.32Å; D59-H63 IonicContact OD1-CE1 3Å; D59-H63 PolarHBondContact OD1-CE1 3.45Å; D59-H63 VanDerWaalsContact OD1-CE1 3.25Å; D59-H63 IonicContact OD1-ND1 2.6Å; D59-H63 IonicContact OD2-CE1 3.84Å; D59-H63 PolarHBondContact OD2-CE1 3.3Å; D59-H63 IonicContact OD2-ND1 3.88Å; D59-H63 PolarHBondContact OD2-ND1 2.95Å
60Q96.7Very high95.5Very high65 Ų6559 Ų5930%0.30432%0.322SS..Hα-helixtrans-61.2-40.9175-66.8-56.4-66.800112Y56 A57 H63 A64Y56-Q60 HydrophobicContact CD1-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 3.87Å; Y56-Q60 HydrophobicContact CE2-CG 4.35Å; Y56-Q60 WeakPolarHBondContact O-CG 3.4Å; Y56-Q60 PolarHBondContact O-N 3.16Å; A57-Q60 PolarHBondContact O-N 3.1Å; Q60-H63 PolarHBondContact O-N 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.47Å; Q60-A64 PolarHBondContact O-N 2.62Å
61Y94.9Very high95.2Very high21 Ų2158.2 Ų58.28%0.08231%0.314CS..Hα-helixtrans-57.9-48.4173.2150.9-106.2000112A57 Y58 D59 H63 A64 C65 I69 L84 L87 I114A57-Y61 WeakPolarHBondContact O-CB 3.46Å; A57-Y61 PolarHBondContact O-N 3.45Å; Y58-Y61 HydrophobicContact CD2-CD1 4.07Å; Y58-Y61 HydrophobicContact CE2-CD1 4.14Å; Y58-Y61 HydrophobicContact CE2-CE1 4.17Å; Y58-Y61 WeakPolarHBondContact O-CB 3.47Å; Y58-Y61 PolarHBondContact O-N 3.01Å; D59-Y61 VanDerWaalsContact C-N 3.32Å; D59-Y61 PolarHBondContact O-N 2.88Å; Y61-H63 VanDerWaalsContact C-N 3.31Å; Y61-H63 PolarHBondContact O-N 3.15Å; Y61-A64 PolarHBondContact O-N 2.91Å; Y61-C65 HydrophobicContact CD2-CB 4.07Å; Y61-C65 VanDerWaalsContact CD2-SG 3.58Å; Y61-C65 HydrophobicContact CE2-CB 3.94Å; Y61-C65 VanDerWaalsContact O-CB 3.3Å; Y61-C65 WeakPolarHBondContact O-CB 3.19Å; Y61-C65 PolarHBondContact O-N 3.33Å; Y61-I69 HydrophobicContact CE2-CD1 4.47Å; Y61-L84 HydrophobicContact CD2-CD2 3.4Å; Y61-L84 VanDerWaalsContact CD2-CD2 3.4Å; Y61-L84 HydrophobicContact CD2-CG 4Å; Y61-L84 HydrophobicContact CE2-CD2 3.55Å; Y61-L84 HydrophobicContact CE2-CG 4.37Å; Y61-L84 HydrophobicContact CG-CD2 4.35Å; Y61-L87 HydrophobicContact CD1-CD2 4.16Å; Y61-L87 HydrophobicContact CG-CD2 4.11Å; Y61-I114 HydrophobicContact CE2-CD1 4.07Å; Y61-I114 HydrophobicContact CE2-CG1 4.2Å; Y61-I114 HydrophobicContact CE2-CG2 4.09Å
62L95.6Very high94.9Very high66 Ų6661.8 Ų61.835%0.34634%0.338SS..Hα-helixtrans-59.4-42.6-179.9-70.9177.1000111.8Y58 D59 A66 I69Y58-L62 HydrophobicContact CD1-CD1 4.07Å; Y58-L62 HydrophobicContact CE1-CD1 3.64Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 WeakPolarHBondContact O-CG 3.45Å; Y58-L62 PolarHBondContact O-N 2.83Å; D59-L62 PolarHBondContact O-N 2.75Å; L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.1Å; L62-I69 HydrophobicContact CD2-CD1 4.35Å
63H96.8Very high94.4Very high126 Ų12665.6 Ų65.658%0.58334%0.338SS*.Hα-helixtrans-69.6-48.6177.9-71.788.5000112.1D59 Q60 Y61 C65 A66D59-H63 PolarHBondContact O-N 3.24Å; D59-H63 VanDerWaalsContact O-N 3.11Å; D59-H63 PolarHBondContact O-ND1 3.32Å; D59-H63 IonicContact OD1-CE1 3Å; D59-H63 PolarHBondContact OD1-CE1 3.45Å; D59-H63 VanDerWaalsContact OD1-CE1 3.25Å; D59-H63 IonicContact OD1-ND1 2.6Å; D59-H63 IonicContact OD2-CE1 3.84Å; D59-H63 PolarHBondContact OD2-CE1 3.3Å; D59-H63 IonicContact OD2-ND1 3.88Å; D59-H63 PolarHBondContact OD2-ND1 2.95Å; Q60-H63 PolarHBondContact O-N 3.22Å; Y61-H63 VanDerWaalsContact C-N 3.31Å; Y61-H63 PolarHBondContact O-N 3.15Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.1Å; H63-A66 WeakPolarHBondContact O-CB 3.41Å; H63-A66 PolarHBondContact O-N 2.98Å
64A96.1Very high93.9Very high14 Ų1470.6 Ų70.612%0.11635%0.351CS..Hα-helixtrans-66.5-36.3-175.800000112.6Q60 Y61 H79 C80 S83Q60-A64 WeakPolarHBondContact O-CB 3.47Å; Q60-A64 PolarHBondContact O-N 2.62Å; Y61-A64 PolarHBondContact O-N 2.91Å; A64-H79 PolarHBondContact O-CD2 2.91Å; A64-H79 PolarHBondContact O-NE2 3.35Å; A64-C80 HydrophobicContact CB-CB 4.48Å; A64-S83 WeakPolarHBondContact CB-OG 3.32Å
65C95.9Very high93.4Very high0 Ų079.3 Ų79.30%039%0.389CS..Hα-helixtrans-96.42.5-177.6-60.50000113.8Y61 H63 S67 V68 I69 C80 I114Y61-C65 HydrophobicContact CD2-CB 4.07Å; Y61-C65 VanDerWaalsContact CD2-SG 3.58Å; Y61-C65 HydrophobicContact CE2-CB 3.94Å; Y61-C65 VanDerWaalsContact O-CB 3.3Å; Y61-C65 WeakPolarHBondContact O-CB 3.19Å; Y61-C65 PolarHBondContact O-N 3.33Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.1Å; C65-S67 PolarHBondContact O-N 3.03Å; C65-S67 VanDerWaalsContact O-N 3.08Å; C65-V68 WeakPolarHBondContact O-CA 3.46Å; C65-V68 WeakPolarHBondContact O-CB 3.45Å; C65-V68 PolarHBondContact O-N 3.25Å; C65-I69 HydrophobicContact CB-CD1 4.09Å; C65-I69 HydrophobicContact CB-CG1 4.25Å; C65-I69 WeakPolarHBondContact O-CG1 3.47Å; C65-I69 PolarHBondContact O-N 3.27Å; C65-C80 VanDerWaalsContact CA-SG 3.56Å; C65-C80 HydrophobicContact CB-CB 4.07Å; C65-C80 WeakPolarHBondContact CB-SG 3.22Å; C65-C80 WeakPolarHBondContact SG-CA 3.39Å; C65-C80 WeakPolarHBondContact SG-CB 3.41Å; C65-C80 CovalentContact SG-SG 2.04Å; C65-C80 PolarHBondContact SG-SG 2.78Å; C65-I114 HydrophobicContact CB-CD1 3.73Å
66A95.9Very high93Very high48 Ų4874.2 Ų74.240%0.39738%0.375SS..Hα-helixtrans-49.9-40.5-176.500000113.8L62 H63 V68 I69 S70L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.1Å; H63-A66 WeakPolarHBondContact O-CB 3.41Å; H63-A66 PolarHBondContact O-N 2.98Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.21Å; A66-I69 PolarHBondContact O-N 3.41Å; A66-S70 VanDerWaalsContact O-CB 3.3Å; A66-S70 WeakPolarHBondContact O-CB 3.48Å; A66-S70 PolarHBondContact O-N 3.46Å; A66-S70 PolarHBondContact O-OG 3.44Å
67S94.1Very high92.8Very high32 Ų3267.7 Ų67.722%0.22435%0.351CS..Hα-helixtrans-68.2-25.3178.565.70000114.2C65 S70 V72 R73C65-S67 PolarHBondContact O-N 3.03Å; C65-S67 VanDerWaalsContact O-N 3.08Å; S67-S70 PolarHBondContact O-OG 3.16Å; S67-V72 PolarHBondContact O-N 3.46Å; S67-V72 VanDerWaalsContact O-N 3.07Å; S67-R73 PolarHBondContact O-N 2.94Å
68V94.7Very high92.4Very high6 Ų672.1 Ų72.14%0.03638%0.382CS..Hα-helixtrans-86.1-44.2175.7-178.50000110C65 A66 S70 G71 A113 I114C65-V68 WeakPolarHBondContact O-CA 3.46Å; C65-V68 WeakPolarHBondContact O-CB 3.45Å; C65-V68 PolarHBondContact O-N 3.25Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.21Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.24Å; V68-G71 PolarHBondContact O-N 3.34Å; V68-A113 HydrophobicContact CG1-CB 4.44Å; V68-A113 VanDerWaalsContact CG1-O 3.32Å; V68-A113 WeakPolarHBondContact CG1-O 3.43Å; V68-I114 HydrophobicContact CB-CD1 4.27Å; V68-I114 HydrophobicContact CG1-CD1 4.03Å
69I94.3Very high92.3Very high47 Ų4775 Ų7524%0.24140%0.396CS..Hα-helixtrans-59.8-42.1178.3-62.7173.6000111Y61 L62 C65 A66 G71 T110 I114Y61-I69 HydrophobicContact CE2-CD1 4.47Å; L62-I69 HydrophobicContact CD2-CD1 4.35Å; C65-I69 HydrophobicContact CB-CD1 4.09Å; C65-I69 HydrophobicContact CB-CG1 4.25Å; C65-I69 WeakPolarHBondContact O-CG1 3.47Å; C65-I69 PolarHBondContact O-N 3.27Å; A66-I69 PolarHBondContact O-N 3.41Å; I69-G71 PolarHBondContact O-N 2.85Å; I69-T110 HydrophobicContact CD1-CG2 4.37Å; I69-T110 HydrophobicContact CG1-CG2 4.17Å; I69-T110 HydrophobicContact CG2-CG2 4.07Å; I69-I114 HydrophobicContact CG1-CD1 3.86Å; I69-I114 HydrophobicContact CG1-CG1 4.08Å
70S92.3Very high92.1Very high78 Ų7871.7 Ų71.755%0.54538%0.379SS..THydrogen-bonded Turntrans-73.2-8.5175.956.40000114.1A66 S67 V68 V72A66-S70 VanDerWaalsContact O-CB 3.3Å; A66-S70 WeakPolarHBondContact O-CB 3.48Å; A66-S70 PolarHBondContact O-N 3.46Å; A66-S70 PolarHBondContact O-OG 3.44Å; S67-S70 PolarHBondContact O-OG 3.16Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.24Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.84Å; S70-V72 WeakPolarHBondContact OG-CG2 3.32Å
71G89Confident91.9Very high57 Ų5771.4 Ų71.459%0.58838%0.379SS*.THydrogen-bonded Turntrans76.84.5-177.700000115.2V68 I69 R73V68-G71 PolarHBondContact O-N 3.34Å; I69-G71 PolarHBondContact O-N 2.85Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.49Å
72V89.1Confident91.7Very high116 Ų11673.1 Ų73.170%0.70339%0.394SS*.SBendtrans-64.2-34.9178.2175.40000111.5S67 S70S67-V72 PolarHBondContact O-N 3.46Å; S67-V72 VanDerWaalsContact O-N 3.07Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.84Å; S70-V72 WeakPolarHBondContact OG-CG2 3.32Å
73R85.6Confident91.7Very high148 Ų14870.5 Ų70.556%0.55838%0.381SS*.  trans-122.3134.8177-66.9-168.8176.1-165.11.1111S67 G71S67-R73 PolarHBondContact O-N 2.94Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.49Å
74R82.6Confident91.4Very high248 Ų24864.9 Ų64.994%0.93636%0.355SS*.SBendtrans-92.1-12.1172.3-62.3-168-179-170.81.4114
75K86.5Confident91.1Very high182 Ų18267.3 Ų67.379%0.79137%0.366SS*.SBendtrans-105.1135.8176.5-69.3-174.4179-178.30109.5P77K75-P77 WeakPolarHBondContact O-CD 3.35Å
76C87.4Confident90.9Very high38 Ų3871.8 Ų71.826%0.25739%0.387SS..  trans-74.5121.3-178.7-51.40000110.8I81 C117C76-I81 HydrophobicContact CB-CD1 3.97Å; C76-I81 HydrophobicContact CB-CG1 3.94Å; C76-C117 HydrophobicContact CB-CB 3.69Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.5Å; C76-C117 WeakPolarHBondContact SG-CB 3.2Å; C76-C117 CovalentContact SG-SG 2.02Å; C76-C117 PolarHBondContact SG-SG 2.96Å
77P92.3Very high90.7Very high13 Ų1370 Ų708%0.08437%0.37CS..  trans-64.4150.1170.9-19.231.5000111.7K75 H79 C80 I81K75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.29Å; P77-H79 PolarHBondContact O-N 2.94Å; P77-C80 HydrophobicContact CB-CB 4.31Å; P77-C80 HydrophobicContact CG-CB 4.36Å; P77-C80 WeakPolarHBondContact O-CB 3.35Å; P77-C80 PolarHBondContact O-N 3.41Å; P77-C80 VanDerWaalsContact O-N 3.14Å; P77-I81 PolarHBondContact O-N 2.93Å; P77-I81 VanDerWaalsContact O-N 3.13Å
78S88.4Confident90.4Very high99 Ų9969.7 Ų69.769%0.69237%0.366SS*.Hα-helixtrans-57.9-39.717853.10000113.1I81 S82S78-I81 PolarHBondContact O-N 3.38Å; S78-S82 PolarHBondContact O-N 3.47Å
79H92.9Very high90.2Very high101 Ų10176.2 Ų76.247%0.46840%0.4SS..Hα-helixtrans-67.5-36177.354.3-90.8000112.6A64 P77 S82 S83A64-H79 PolarHBondContact O-CD2 2.91Å; A64-H79 PolarHBondContact O-NE2 3.35Å; P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.29Å; P77-H79 PolarHBondContact O-N 2.94Å; H79-S82 PolarHBondContact O-N 3.13Å; H79-S83 PolarHBondContact O-N 3.34Å; H79-S83 PolarHBondContact O-OG 3.11Å; H79-S83 VanDerWaalsContact O-OG 3.07Å
80C94Very high90Very high0 Ų074.8 Ų74.80%039%0.394CS..Hα-helixtrans-61.8-46.2172.6170.30000111.2A64 C65 P77 S82 S83 L84A64-C80 HydrophobicContact CB-CB 4.48Å; C65-C80 VanDerWaalsContact CA-SG 3.56Å; C65-C80 HydrophobicContact CB-CB 4.07Å; C65-C80 WeakPolarHBondContact CB-SG 3.22Å; C65-C80 WeakPolarHBondContact SG-CA 3.39Å; C65-C80 WeakPolarHBondContact SG-CB 3.41Å; C65-C80 CovalentContact SG-SG 2.04Å; C65-C80 PolarHBondContact SG-SG 2.78Å; P77-C80 HydrophobicContact CB-CB 4.31Å; P77-C80 HydrophobicContact CG-CB 4.36Å; P77-C80 WeakPolarHBondContact O-CB 3.35Å; P77-C80 PolarHBondContact O-N 3.41Å; P77-C80 VanDerWaalsContact O-N 3.14Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.2Å; C80-S83 PolarHBondContact O-N 3.32Å; C80-L84 WeakPolarHBondContact O-CG 3.49Å; C80-L84 PolarHBondContact O-N 3.49Å
81I91.7Very high89.8Confident60 Ų6080.5 Ų80.531%0.30840%0.403SS..Hα-helixtrans-60.7-45.5176-61.2169.3000110.3C76 P77 S78 S83 L84 I85 P119C76-I81 HydrophobicContact CB-CD1 3.97Å; C76-I81 HydrophobicContact CB-CG1 3.94Å; P77-I81 PolarHBondContact O-N 2.93Å; P77-I81 VanDerWaalsContact O-N 3.13Å; S78-I81 PolarHBondContact O-N 3.38Å; I81-S83 PolarHBondContact O-N 3.29Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 2.99Å; I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 WeakPolarHBondContact O-CG1 3.21Å; I81-I85 PolarHBondContact O-N 3.47Å; I81-P119 HydrophobicContact CG2-CG 4.44Å
82S91.1Very high89.8Confident56 Ų5679.8 Ų79.839%0.39238%0.384SS..Hα-helixtrans-61.3-40.9178.2-170.30000112.7S78 H79 C80 I85 Q86S78-S82 PolarHBondContact O-N 3.47Å; H79-S82 PolarHBondContact O-N 3.13Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.2Å; S82-I85 PolarHBondContact O-N 3.43Å; S82-Q86 WeakPolarHBondContact O-CG 3.48Å; S82-Q86 PolarHBondContact O-N 3.49Å
83S94.3Very high89.9Confident12 Ų1274.4 Ų74.48%0.08435%0.352CS..Hα-helixtrans-66.7-36.5176.6-61.70000112.1A64 H79 C80 I81 Q86 L87A64-S83 WeakPolarHBondContact CB-OG 3.32Å; H79-S83 PolarHBondContact O-N 3.34Å; H79-S83 PolarHBondContact O-OG 3.11Å; H79-S83 VanDerWaalsContact O-OG 3.07Å; C80-S83 PolarHBondContact O-N 3.32Å; I81-S83 PolarHBondContact O-N 3.29Å; S83-Q86 PolarHBondContact O-N 3.32Å; S83-L87 WeakPolarHBondContact O-CB 3.12Å; S83-L87 PolarHBondContact O-N 2.82Å
84L92.3Very high90Very high7 Ų769.8 Ų69.84%0.03734%0.342CS..Hα-helixtrans-63.7-41.5173-74.2168000112.1Y61 C80 I81 L87 N88 I114 C117 M118Y61-L84 HydrophobicContact CD2-CD2 3.4Å; Y61-L84 VanDerWaalsContact CD2-CD2 3.4Å; Y61-L84 HydrophobicContact CD2-CG 4Å; Y61-L84 HydrophobicContact CE2-CD2 3.55Å; Y61-L84 HydrophobicContact CE2-CG 4.37Å; Y61-L84 HydrophobicContact CG-CD2 4.35Å; C80-L84 WeakPolarHBondContact O-CG 3.49Å; C80-L84 PolarHBondContact O-N 3.49Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 2.02Å; L84-N88 WeakPolarHBondContact O-CB 3.19Å; L84-N88 PolarHBondContact O-N 2.96Å; L84-I114 HydrophobicContact CD1-CG2 4.02Å; L84-I114 HydrophobicContact CD2-CG2 3.89Å; L84-C117 HydrophobicContact CD1-CB 3.7Å; L84-M118 HydrophobicContact CB-SD 4.11Å; L84-M118 HydrophobicContact CD1-SD 4.48Å; L84-M118 HydrophobicContact CD2-SD 4Å; L84-M118 HydrophobicContact CG-SD 4.43Å
85I89.3Confident90.2Very high66 Ų6660.3 Ų60.334%0.33831%0.309SS..Hα-helixtrans-59.4-49.4173.8-63.9168.2000110.2I81 S82 L87 N88 L89 P119I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 WeakPolarHBondContact O-CG1 3.21Å; I81-I85 PolarHBondContact O-N 3.47Å; S82-I85 PolarHBondContact O-N 3.43Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.14Å; I85-N88 PolarHBondContact O-N 2.96Å; I85-L89 HydrophobicContact CG2-CD1 4.25Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.36Å; I85-L89 VanDerWaalsContact O-N 3.14Å; I85-P119 HydrophobicContact CD1-CG 4.21Å; I85-P119 HydrophobicContact CG1-CB 4.3Å; I85-P119 HydrophobicContact CG1-CG 3.41Å; I85-P119 VanDerWaalsContact CG1-CG 3.41Å
86Q90.6Very high90.4Very high94 Ų9453 Ų5344%0.43928%0.279SS..Hα-helixtrans-61.3-42.9-179.4-73.6175.1-1.100112.1S82 S83 N88 L89S82-Q86 WeakPolarHBondContact O-CG 3.48Å; S82-Q86 PolarHBondContact O-N 3.49Å; S83-Q86 PolarHBondContact O-N 3.32Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.36Å; Q86-L89 PolarHBondContact O-N 3.08Å
87L92.2Very high90.1Very high10 Ų1054.7 Ų54.75%0.05228%0.283CS..Hα-helixtrans-58.6-46.4174.8-178.258.9000110.6A57 Y58 Y61 S83 L84 I85 L89 T90 G93 L96A57-L87 HydrophobicContact CB-CB 4.27Å; A57-L87 HydrophobicContact CB-CD1 4.03Å; Y58-L87 HydrophobicContact CD2-CD2 4.22Å; Y61-L87 HydrophobicContact CD1-CD2 4.16Å; Y61-L87 HydrophobicContact CG-CD2 4.11Å; S83-L87 WeakPolarHBondContact O-CB 3.12Å; S83-L87 PolarHBondContact O-N 2.82Å; L84-L87 PolarHBondContact O-N 2.02Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.14Å; L87-L89 PolarHBondContact O-N 2.97Å; L87-T90 WeakPolarHBondContact O-CB 3.08Å; L87-T90 PolarHBondContact O-N 3.18Å; L87-T90 VanDerWaalsContact O-N 3.11Å; L87-T90 PolarHBondContact O-OG1 3.01Å; L87-G93 WeakPolarHBondContact O-CA 3.34Å; L87-L96 HydrophobicContact CD1-CD1 4.14Å; L87-L96 HydrophobicContact CD2-CD1 3.98Å; L87-L96 HydrophobicContact CG-CD1 4.35Å
88N88.9Confident89.4Confident26 Ų2658.3 Ų58.314%0.13930%0.302CS..Hα-helixtrans-66.7-18.4-179.6-162.660.9000114.7L84 I85 Q86 T90 P94 M118 T121L84-N88 WeakPolarHBondContact O-CB 3.19Å; L84-N88 PolarHBondContact O-N 2.96Å; I85-N88 PolarHBondContact O-N 2.96Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.36Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-P94 WeakPolarHBondContact O-CG 3.48Å; N88-P94 WeakPolarHBondContact OD1-CA 3.18Å; N88-P94 WeakPolarHBondContact OD1-CG 3.49Å; N88-M118 HydrophobicContact CB-CE 3.89Å; N88-T121 WeakPolarHBondContact ND2-CB 3.41Å; N88-T121 PolarHBondContact ND2-OG1 3.39Å
89L88.8Confident89.4Confident142 Ų14253.8 Ų53.874%0.74327%0.27SS*.THydrogen-bonded Turntrans-80.4-11.9175.4-70.3171.1000113.3I85 Q86 L87I85-L89 HydrophobicContact CG2-CD1 4.25Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.36Å; I85-L89 VanDerWaalsContact O-N 3.14Å; Q86-L89 PolarHBondContact O-N 3.08Å; L87-L89 PolarHBondContact O-N 2.97Å
90T90.3Very high89.4Confident18 Ų1852.9 Ų52.911%0.1127%0.269CS..SBendtrans-80.6164.2177.969.40000111.6C54 A57 L87 N88 H92 G93 P94C54-T90 HydrophobicContact CB-CG2 4.31Å; C54-T90 PolarHBondContact SG-OG1 2.99Å; A57-T90 HydrophobicContact CB-CG2 4.1Å; L87-T90 WeakPolarHBondContact O-CB 3.08Å; L87-T90 PolarHBondContact O-N 3.18Å; L87-T90 VanDerWaalsContact O-N 3.11Å; L87-T90 PolarHBondContact O-OG1 3.01Å; N88-T90 VanDerWaalsContact C-N 3.3Å; T90-H92 PolarHBondContact O-N 3.41Å; T90-G93 WeakPolarHBondContact OG1-CA 3.25Å; T90-G93 PolarHBondContact OG1-N 3.42Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; T90-P94 VanDerWaalsContact O-CD 3.23Å; T90-P94 WeakPolarHBondContact O-CD 3.38Å
91R88.1Confident89.3Confident198 Ų19853.4 Ų53.475%0.74727%0.272SS*.SBendtrans-64.2-40.9-174.6-174.7-173.8-177.1-170.91.3112.8E51E51-R91 WeakPolarHBondContact OE1-CB 3.29Å; E51-R91 PolarHBondContact OE1-N 3.13Å; E51-R91 WeakPolarHBondContact OE2-CB 3.31Å
92H90.3Very high89.2Confident42 Ų4253.3 Ų53.319%0.19428%0.28CS..SBendtrans-107.2-0.5-176.9-71.1-60.3000114.6R47 C48 E51 T90 D95R47-H92 HydrophobicContact CB-CB 4.36Å; C48-H92 HydrophobicContact CB-CB 4.29Å; E51-H92 IonicContact OE2-CD2 3.17Å; E51-H92 PolarHBondContact OE2-CD2 3.09Å; E51-H92 IonicContact OE2-CG 3.37Å; E51-H92 PolarHBondContact OE2-N 3.4Å; T90-H92 PolarHBondContact O-N 3.41Å; H92-D95 IonicContact ND1-OD2 3.98Å; H92-D95 PolarHBondContact ND1-OD2 3.19Å; H92-D95 WeakPolarHBondContact O-CB 3.35Å; H92-D95 PolarHBondContact O-N 2.92Å
93G89.8Confident89.1Confident3 Ų354.6 Ų54.63%0.03130%0.295CS..SBendtrans-62.5-44.1176.900000114.9C54 L87 T90 D95 L96C54-G93 PolarHBondContact SG-N 3.17Å; L87-G93 WeakPolarHBondContact O-CA 3.34Å; T90-G93 WeakPolarHBondContact OG1-CA 3.25Å; T90-G93 PolarHBondContact OG1-N 3.42Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; G93-D95 PolarHBondContact O-N 2.72Å; G93-L96 VanDerWaalsContact O-CB 3.3Å; G93-L96 WeakPolarHBondContact O-CB 3.44Å; G93-L96 PolarHBondContact O-N 3.27Å
94P87.8Confident89Confident51 Ų5157.8 Ų57.833%0.33131%0.311SS..G310 helixtrans-58.9-29.8177.7-25.733.2000114.1N88 T90 L96 E97N88-P94 WeakPolarHBondContact O-CG 3.48Å; N88-P94 WeakPolarHBondContact OD1-CA 3.18Å; N88-P94 WeakPolarHBondContact OD1-CG 3.49Å; T90-P94 VanDerWaalsContact O-CD 3.23Å; T90-P94 WeakPolarHBondContact O-CD 3.38Å; P94-L96 PolarHBondContact O-N 2.68Å; P94-L96 VanDerWaalsContact O-N 3.08Å; P94-E97 PolarHBondContact O-N 3.49Å; P94-E97 VanDerWaalsContact O-N 3.14Å
95D88.2Confident89Confident48 Ų4861.5 Ų61.526%0.25734%0.335SS..G310 helixtrans-60.7-19.7176.8-68.1-18000112P39 A44 H92 G93 D98 C99P39-D95 HydrophobicContact CG-CB 4.48Å; A44-D95 HydrophobicContact CB-CB 4.02Å; H92-D95 IonicContact ND1-OD2 3.98Å; H92-D95 PolarHBondContact ND1-OD2 3.19Å; H92-D95 WeakPolarHBondContact O-CB 3.35Å; H92-D95 PolarHBondContact O-N 2.92Å; G93-D95 PolarHBondContact O-N 2.72Å; D95-D98 CarbonylContact O-C 3.56Å; D95-C99 VanDerWaalsContact O-CB 3.26Å; D95-C99 WeakPolarHBondContact O-CB 3.4Å; D95-C99 PolarHBondContact O-N 2.83Å
96L89.1Confident89.1Confident29 Ų2963.2 Ų63.215%0.15235%0.348CS..G310 helixtrans-83.1-24.5179.7-61.4169.6000113.4A44 I45 C48 Y58 L87 G93 P94 C99A44-L96 HydrophobicContact CB-CD2 3.79Å; I45-L96 HydrophobicContact CB-CD2 4.34Å; I45-L96 HydrophobicContact CG1-CD2 3.52Å; C48-L96 HydrophobicContact CB-CD1 4.38Å; Y58-L96 HydrophobicContact CD2-CD1 3.62Å; Y58-L96 HydrophobicContact CE2-CD1 3.9Å; L87-L96 HydrophobicContact CD1-CD1 4.14Å; L87-L96 HydrophobicContact CD2-CD1 3.98Å; L87-L96 HydrophobicContact CG-CD1 4.35Å; G93-L96 VanDerWaalsContact O-CB 3.3Å; G93-L96 WeakPolarHBondContact O-CB 3.44Å; G93-L96 PolarHBondContact O-N 3.27Å; P94-L96 PolarHBondContact O-N 2.68Å; P94-L96 VanDerWaalsContact O-N 3.08Å; L96-C99 PolarHBondContact O-SG 2.78Å
97E82.7Confident89.3Confident73 Ų7359.9 Ų59.934%0.34134%0.335SS..THydrogen-bonded Turntrans-72.3-45.6176.6-177.4-176.5169.500110R38 P94 M118R38-E97 PolarHBondContact NH2-O 2.8Å; P94-E97 PolarHBondContact O-N 3.49Å; P94-E97 VanDerWaalsContact O-N 3.14Å; E97-M118 HydrophobicContact CG-CG 4.28Å
98D76.8Confident89.3Confident89 Ų8963.3 Ų63.348%0.47635%0.348SS..THydrogen-bonded Turntrans-109.458.1178.7-153.740.7000110.4R38 D95R38-D98 WeakPolarHBondContact CD-OD1 3.5Å; R38-D98 HydrophobicContact CG-CB 4.37Å; R38-D98 WeakPolarHBondContact CG-O 3.34Å; R38-D98 IonicContact CZ-OD1 3.92Å; R38-D98 VanDerWaalsContact NE-CA 3.34Å; R38-D98 PolarHBondContact NE-O 2.96Å; R38-D98 IonicContact NE-OD1 2.71Å; R38-D98 PolarHBondContact NE-OD1 2.85Å; R38-D98 VanDerWaalsContact NE-OD1 3.17Å; R38-D98 IonicContact NH1-OD1 3.46Å; R38-D98 PolarHBondContact NH1-OD1 3.46Å; R38-D98 VanDerWaalsContact NH2-C 3.31Å; R38-D98 IonicContact NH2-OD1 3.04Å; D95-D98 CarbonylContact O-C 3.56Å
99C88.9Confident89.5Confident5 Ų565.6 Ų65.63%0.03437%0.365CS..  trans-108.7147.3164.6620000116.1R38 P39 C41 A44 D95 L96R38-C99 VanDerWaalsContact CZ-N 3.26Å; R38-C99 PolarHBondContact NE-O 3.42Å; R38-C99 PolarHBondContact NH2-O 2.04Å; P39-C99 CarbonylContact O-C 3.52Å; P39-C99 WeakPolarHBondContact O-CA 3.41Å; P39-C99 WeakPolarHBondContact O-CB 3.34Å; C41-C99 VanDerWaalsContact CA-CB 3.42Å; C41-C99 WeakPolarHBondContact CA-SG 3.09Å; C41-C99 HydrophobicContact CB-CB 3.79Å; C41-C99 WeakPolarHBondContact CB-SG 3.14Å; C41-C99 WeakPolarHBondContact SG-CB 3.07Å; C41-C99 PolarHBondContact SG-O 2.01Å; C41-C99 CovalentContact SG-SG 2.03Å; C41-C99 PolarHBondContact SG-SG 3.19Å; A44-C99 HydrophobicContact CB-CB 4.07Å; D95-C99 VanDerWaalsContact O-CB 3.26Å; D95-C99 WeakPolarHBondContact O-CB 3.4Å; D95-C99 PolarHBondContact O-N 2.83Å; L96-C99 PolarHBondContact O-SG 2.78Å
100D92.4Very high89.6Confident82 Ų8260.2 Ų60.244%0.43934%0.339SS..BIsolated β-bridgetrans-79122178.5-178.37.2000111.3P39 V40 C41 A102P39-D100 PolarHBondContact O-N 3.33Å; V40-D100 CarbonylContact C-O 3.58Å; V40-D100 VanDerWaalsContact CA-O 3.26Å; V40-D100 WeakPolarHBondContact CA-O 3.06Å; V40-D100 VanDerWaalsContact CG1-O 3.24Å; V40-D100 WeakPolarHBondContact CG1-O 3.36Å; C41-D100 PolarHBondContact N-O 3.04Å; D100-A102 PolarHBondContact O-N 3.01Å; D100-A102 PolarHBondContact OD1-N 3.3Å
101C91.4Very high89.6Confident11 Ų1162.3 Ų62.37%0.07435%0.347CS..  trans-75.2-8.3176.1-74.90000114.1A103 D104 C107 R108 Q111C101-A103 PolarHBondContact O-N 2.9Å; C101-D104 WeakPolarHBondContact O-CB 3.47Å; C101-D104 PolarHBondContact O-N 3.45Å; C101-C107 WeakPolarHBondContact CA-SG 3.48Å; C101-C107 HydrophobicContact CB-CB 3.64Å; C101-C107 WeakPolarHBondContact CB-SG 3.44Å; C101-C107 WeakPolarHBondContact SG-CB 3.09Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.87Å; C101-R108 HydrophobicContact CB-CG 3.63Å; C101-R108 PolarHBondContact SG-N 3.25Å; C101-R108 VanDerWaalsContact SG-N 3.42Å; C101-Q111 PolarHBondContact SG-OE1 3.42Å; C101-Q111 VanDerWaalsContact SG-OE1 3.32Å
102A89.9Confident89.7Confident57 Ų5761.6 Ų61.647%0.47134%0.344SS..THydrogen-bonded Turntrans48.5-125.2-174.500000111.4V40 D100 R108V40-A102 HydrophobicContact CG1-CB 4.33Å; D100-A102 PolarHBondContact O-N 3.01Å; D100-A102 PolarHBondContact OD1-N 3.3Å; A102-R108 PolarHBondContact O-NH1 3.06Å
103A89.1Confident89.7Confident84 Ų8461 Ų6169%0.69435%0.347SS*.THydrogen-bonded Turntrans-86.7-4.6-179.500000114.7C101 P105 R108C101-A103 PolarHBondContact O-N 2.9Å; A103-P105 VanDerWaalsContact O-CD 3.31Å; A103-P105 WeakPolarHBondContact O-CD 3.49Å; A103-R108 VanDerWaalsContact CA-NH1 3.33Å; A103-R108 PolarHBondContact O-NH1 2.78Å; A103-R108 VanDerWaalsContact O-NH1 3.09Å; A103-R108 PolarHBondContact O-NH2 3.38Å
104D92.7Very high89.8Confident79 Ų7961.5 Ų61.542%0.42235%0.349SS..  trans-73.5113.5-172.4-175.3-17.6000113C101 V106 C107 R108C101-D104 WeakPolarHBondContact O-CB 3.47Å; C101-D104 PolarHBondContact O-N 3.45Å; D104-V106 WeakPolarHBondContact OD1-CA 3.36Å; D104-V106 WeakPolarHBondContact OD1-CB 3.05Å; D104-V106 PolarHBondContact OD1-N 3.48Å; D104-C107 HydrophobicContact CB-CB 3.81Å; D104-C107 PolarHBondContact OD1-N 3.17Å; D104-C107 VanDerWaalsContact OD1-N 3.1Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.45Å
105P92.1Very high89.8Confident85 Ų8563.9 Ų63.955%0.55236%0.359SS*.Hα-helixtrans-71.6-29.9179.230.3-34.1000113.6A103 S109A103-P105 VanDerWaalsContact O-CD 3.31Å; A103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-S109 WeakPolarHBondContact O-CB 3.26Å; P105-S109 PolarHBondContact O-N 3.4Å
106V92.3Very high89.8Confident102 Ų10266.3 Ų66.362%0.61838%0.377SS*.Hα-helixtrans-70.7-44.1179.8179.20000109.6D104 S109 T110D104-V106 WeakPolarHBondContact OD1-CA 3.36Å; D104-V106 WeakPolarHBondContact OD1-CB 3.05Å; D104-V106 PolarHBondContact OD1-N 3.48Å; V106-S109 PolarHBondContact O-N 3.2Å; V106-T110 WeakPolarHBondContact O-CB 3.3Å; V106-T110 PolarHBondContact O-N 3.36Å; V106-T110 PolarHBondContact O-OG1 2.7Å
107C93.2Very high89.6Confident24 Ų2465.1 Ų65.116%0.16237%0.371CS..Hα-helixtrans-56.2-52.8173.2-178.80000111C41 C101 D104 S109 T110 Q111C41-C107 PolarHBondContact SG-SG 2.03Å; C101-C107 WeakPolarHBondContact CA-SG 3.48Å; C101-C107 HydrophobicContact CB-CB 3.64Å; C101-C107 WeakPolarHBondContact CB-SG 3.44Å; C101-C107 WeakPolarHBondContact SG-CB 3.09Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.87Å; D104-C107 HydrophobicContact CB-CB 3.81Å; D104-C107 PolarHBondContact OD1-N 3.17Å; D104-C107 VanDerWaalsContact OD1-N 3.1Å; C107-S109 VanDerWaalsContact C-N 3.34Å; C107-S109 PolarHBondContact O-N 3.13Å; C107-T110 PolarHBondContact O-N 3.49Å; C107-Q111 WeakPolarHBondContact O-CB 3.32Å; C107-Q111 PolarHBondContact O-N 3.05Å
108R93.2Very high89.6Confident82 Ų8263 Ų6331%0.30936%0.361SS..Hα-helixtrans-60.8-41-179.9-71.9-173.4-63.5-97-4.3112.8C101 A102 A103 D104 R112C101-R108 HydrophobicContact CB-CG 3.63Å; C101-R108 PolarHBondContact SG-N 3.25Å; C101-R108 VanDerWaalsContact SG-N 3.42Å; A102-R108 PolarHBondContact O-NH1 3.06Å; A103-R108 VanDerWaalsContact CA-NH1 3.33Å; A103-R108 PolarHBondContact O-NH1 2.78Å; A103-R108 VanDerWaalsContact O-NH1 3.09Å; A103-R108 PolarHBondContact O-NH2 3.38Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.45Å; R108-R112 WeakPolarHBondContact O-CB 3.22Å; R108-R112 VanDerWaalsContact O-CG 3.25Å; R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 2.99Å; R108-R112 VanDerWaalsContact O-N 3.08Å
109S91.9Very high89.1Confident73 Ų7360.2 Ų60.251%0.5135%0.348SS..Hα-helixtrans-64.8-46.5178.2-172.70000111.1P105 V106 C107 R112 A113P105-S109 WeakPolarHBondContact O-CB 3.26Å; P105-S109 PolarHBondContact O-N 3.4Å; V106-S109 PolarHBondContact O-N 3.2Å; C107-S109 VanDerWaalsContact C-N 3.34Å; C107-S109 PolarHBondContact O-N 3.13Å; S109-R112 PolarHBondContact O-N 3.28Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.04Å
110T91.9Very high87.8Confident30 Ų3069.1 Ų69.118%0.18438%0.381CS..Hα-helixtrans-61-48.1178.1-57.60000111I69 V106 C107 R112 A113 I114I69-T110 HydrophobicContact CD1-CG2 4.37Å; I69-T110 HydrophobicContact CG1-CG2 4.17Å; I69-T110 HydrophobicContact CG2-CG2 4.07Å; V106-T110 WeakPolarHBondContact O-CB 3.3Å; V106-T110 PolarHBondContact O-N 3.36Å; V106-T110 PolarHBondContact O-OG1 2.7Å; C107-T110 PolarHBondContact O-N 3.49Å; T110-R112 PolarHBondContact O-N 3.35Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.13Å; T110-I114 HydrophobicContact CG2-CG1 4.41Å; T110-I114 WeakPolarHBondContact O-CB 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.16Å
111Q90.1Very high85.9Confident61 Ų6167 Ų6729%0.28537%0.371SS..Hα-helixtrans-60.1-44.9180-169-176.6-900111.6C101 C107 A113 I114 D115C101-Q111 PolarHBondContact SG-OE1 3.42Å; C101-Q111 VanDerWaalsContact SG-OE1 3.32Å; C107-Q111 WeakPolarHBondContact O-CB 3.32Å; C107-Q111 PolarHBondContact O-N 3.05Å; Q111-A113 VanDerWaalsContact C-N 3.32Å; Q111-A113 PolarHBondContact O-N 2.89Å; Q111-I114 PolarHBondContact O-N 3.31Å; Q111-D115 WeakPolarHBondContact O-CB 3Å; Q111-D115 PolarHBondContact O-N 2.85Å
112R89.9Confident84.1Confident183 Ų18370.5 Ų70.569%0.69140%0.396SS*.Hα-helixtrans-64.8-34176-71.4172.2-172.3163.60.7113.2R108 S109 T110 I114 P116R108-R112 WeakPolarHBondContact O-CB 3.22Å; R108-R112 VanDerWaalsContact O-CG 3.25Å; R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 2.99Å; R108-R112 VanDerWaalsContact O-N 3.08Å; S109-R112 PolarHBondContact O-N 3.28Å; T110-R112 PolarHBondContact O-N 3.35Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-P116 WeakPolarHBondContact O-CD 3.36Å
113A91.5Very high82.8Confident31 Ų3172.6 Ų72.626%0.25640%0.403SS..Hα-helixtrans-71-31.7177.500000112.1V68 S109 T110 Q111 P116V68-A113 HydrophobicContact CG1-CB 4.44Å; V68-A113 VanDerWaalsContact CG1-O 3.32Å; V68-A113 WeakPolarHBondContact CG1-O 3.43Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.04Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.13Å; Q111-A113 VanDerWaalsContact C-N 3.32Å; Q111-A113 PolarHBondContact O-N 2.89Å; A113-P116 WeakPolarHBondContact O-CD 3.03Å
114I91.7Very high82.4Confident13 Ų1370.6 Ų70.67%0.06738%0.38CS..Hα-helixtrans-94.9-26.2-174.8-65.7-64000113.4Y61 C65 V68 I69 L84 T110 Q111 R112 P116 C117 M118Y61-I114 HydrophobicContact CE2-CD1 4.07Å; Y61-I114 HydrophobicContact CE2-CG1 4.2Å; Y61-I114 HydrophobicContact CE2-CG2 4.09Å; C65-I114 HydrophobicContact CB-CD1 3.73Å; V68-I114 HydrophobicContact CB-CD1 4.27Å; V68-I114 HydrophobicContact CG1-CD1 4.03Å; I69-I114 HydrophobicContact CG1-CD1 3.86Å; I69-I114 HydrophobicContact CG1-CG1 4.08Å; L84-I114 HydrophobicContact CD1-CG2 4.02Å; L84-I114 HydrophobicContact CD2-CG2 3.89Å; T110-I114 HydrophobicContact CG2-CG1 4.41Å; T110-I114 WeakPolarHBondContact O-CB 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.16Å; Q111-I114 PolarHBondContact O-N 3.31Å; R112-I114 VanDerWaalsContact C-N 3.33Å; I114-P116 VanDerWaalsContact C-N 3.27Å; I114-P116 VanDerWaalsContact O-N 3.14Å; I114-C117 WeakPolarHBondContact O-CA 3.32Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.43Å; I114-M118 PolarHBondContact O-N 3.4Å; I114-M118 VanDerWaalsContact O-N 3.14Å
115D87.8Confident82.2Confident101 Ų10167.4 Ų67.454%0.5437%0.365SS..G310 helixtrans-47.3-40.4176.3-172.658.5000113.7Q111 C117 M118Q111-D115 WeakPolarHBondContact O-CB 3Å; Q111-D115 PolarHBondContact O-N 2.85Å; D115-C117 VanDerWaalsContact C-N 3.31Å; D115-C117 PolarHBondContact O-N 3.07Å; D115-M118 PolarHBondContact O-N 3.33Å
116P87.4Confident82.1Confident98 Ų9864.1 Ų64.164%0.63634%0.344SS*.G310 helixtrans-70.9-20.9175.2-18.433.3000114.9R112 A113 I114R112-P116 WeakPolarHBondContact O-CD 3.36Å; A113-P116 WeakPolarHBondContact O-CD 3.03Å; I114-P116 VanDerWaalsContact C-N 3.27Å; I114-P116 VanDerWaalsContact O-N 3.14Å
117C85.9Confident82.1Confident5 Ų562.9 Ų62.93%0.03434%0.337CS..G310 helixtrans-89.2-16.5179.1-56.60000112.7C76 L84 I114 D115 P119C76-C117 HydrophobicContact CB-CB 3.69Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.5Å; C76-C117 WeakPolarHBondContact SG-CB 3.2Å; C76-C117 CovalentContact SG-SG 2.02Å; C76-C117 PolarHBondContact SG-SG 2.96Å; L84-C117 HydrophobicContact CD1-CB 3.7Å; I114-C117 WeakPolarHBondContact O-CA 3.32Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.43Å; D115-C117 VanDerWaalsContact C-N 3.31Å; D115-C117 PolarHBondContact O-N 3.07Å; C117-P119 WeakPolarHBondContact O-CD 3.45Å
118M82.2Confident82Confident27 Ų2765.8 Ų65.813%0.13335%0.348CS..  trans-68.9118.3-177.5-163.363.9-162.100109.2L84 N88 E97 I114 D115 R120L84-M118 HydrophobicContact CB-SD 4.11Å; L84-M118 HydrophobicContact CD1-SD 4.48Å; L84-M118 HydrophobicContact CD2-SD 4Å; L84-M118 HydrophobicContact CG-SD 4.43Å; N88-M118 HydrophobicContact CB-CE 3.89Å; E97-M118 HydrophobicContact CG-CG 4.28Å; I114-M118 PolarHBondContact O-N 3.4Å; I114-M118 VanDerWaalsContact O-N 3.14Å; D115-M118 PolarHBondContact O-N 3.33Å; M118-R120 PolarHBondContact O-N 3.38Å
119P66.8Low81.9Confident31 Ų3161.9 Ų61.920%0.20133%0.333CS..  trans-66.6126166.825.1-21.8000105.9I81 I85 C117 T121I81-P119 HydrophobicContact CG2-CG 4.44Å; I85-P119 HydrophobicContact CD1-CG 4.21Å; I85-P119 HydrophobicContact CG1-CB 4.3Å; I85-P119 HydrophobicContact CG1-CG 3.41Å; I85-P119 VanDerWaalsContact CG1-CG 3.41Å; C117-P119 WeakPolarHBondContact O-CD 3.45Å; P119-T121 HydrophobicContact CB-CG2 4Å; P119-T121 HydrophobicContact CG-CG2 4.12Å; P119-T121 PolarHBondContact O-N 2.68Å; P119-T121 PolarHBondContact O-OG1 2.96Å; P119-T121 VanDerWaalsContact O-OG1 3.12Å
120R61.3Low81.9Confident192 Ų19264.4 Ų64.473%0.72533%0.332SS*.  trans-67.985178.4-63.8-153.7178.7-173-0.6109M118M118-R120 PolarHBondContact O-N 3.38Å
121T50.8Low82Confident38 Ų3867.2 Ų67.223%0.23335%0.345CS..  trans-102.112-175.844.10000112.4N88 P119 T123N88-T121 WeakPolarHBondContact ND2-CB 3.41Å; N88-T121 PolarHBondContact ND2-OG1 3.39Å; P119-T121 HydrophobicContact CB-CG2 4Å; P119-T121 HydrophobicContact CG-CG2 4.12Å; P119-T121 PolarHBondContact O-N 2.68Å; P119-T121 PolarHBondContact O-OG1 2.96Å; P119-T121 VanDerWaalsContact O-OG1 3.12Å; T121-T123 PolarHBondContact O-N 2.85Å
122S54Low82.1Confident84 Ų8467 Ų6759%0.58734%0.344SS*.  trans-63.473.6145.2176.40000107.5M124S122-M124 PolarHBondContact O-N 3.4Å
123T63.7Low82.3Confident102 Ų10258.3 Ų58.363%0.62631%0.311SS*.  trans-78.154.8176.854.40000108.4T121 G125 V183T121-T123 PolarHBondContact O-N 2.85Å; T123-G125 PolarHBondContact O-N 2.79Å; T123-V183 HydrophobicContact CG2-CG2 4.23Å
124M79.6Confident82.4Confident42 Ų4261 Ų6121%0.20732%0.319CS..  trans-65.5119.8163-175.1178.7-73.700106.4S122 E128 A129 Q178 C182 V183S122-M124 PolarHBondContact O-N 3.4Å; M124-E128 HydrophobicContact CG-CB 4.16Å; M124-E128 HydrophobicContact CG-CG 4.16Å; M124-A129 HydrophobicContact CG-CB 4.05Å; M124-A129 VanDerWaalsContact SD-CA 3.58Å; M124-A129 HydrophobicContact SD-CB 3.62Å; M124-Q178 HydrophobicContact SD-CB 4.06Å; M124-Q178 HydrophobicContact SD-CG 4.45Å; M124-Q178 PolarHBondContact SD-OE1 2.02Å; M124-C182 CarbonylContact O-C 3.58Å; M124-C182 VanDerWaalsContact O-CA 3.26Å; M124-C182 WeakPolarHBondContact O-CA 3.47Å; M124-C182 VanDerWaalsContact O-CB 3.24Å; M124-C182 WeakPolarHBondContact O-CB 3.27Å; M124-V183 PolarHBondContact O-N 3.22Å
125G88.8Confident82.6Confident11 Ų1164.8 Ų64.811%0.11334%0.342CS..BIsolated β-bridgetrans-60.6141.917100000110.1T123 T127 E128 A129 V183 D185T123-G125 PolarHBondContact O-N 2.79Å; G125-T127 PolarHBondContact O-N 3.1Å; G125-T127 VanDerWaalsContact O-N 3.17Å; G125-E128 PolarHBondContact O-N 2.8Å; G125-A129 PolarHBondContact O-N 3.26Å; G125-V183 CarbonylContact C-O 3.49Å; G125-V183 WeakPolarHBondContact CA-O 3.32Å; G125-D185 VanDerWaalsContact CA-CG 3.46Å; G125-D185 VanDerWaalsContact CA-OD2 3.31Å; G125-D185 WeakPolarHBondContact CA-OD2 3.37Å
126C91Very high82.9Confident17 Ų1761.9 Ų61.912%0.11533%0.327CS..Hα-helixtrans-60.7-24.5176.5-66.40000112.1R130 C182 V183 D185C126-R130 WeakPolarHBondContact O-CB 3.04Å; C126-R130 PolarHBondContact O-N 3.27Å; C126-C182 WeakPolarHBondContact CA-SG 3.45Å; C126-C182 HydrophobicContact CB-CB 3.92Å; C126-C182 WeakPolarHBondContact CB-SG 3.15Å; C126-C182 VanDerWaalsContact SG-C 3.51Å; C126-C182 WeakPolarHBondContact SG-CB 3.36Å; C126-C182 CovalentContact SG-SG 2.03Å; C126-C182 PolarHBondContact SG-SG 2.68Å; C126-V183 PolarHBondContact N-O 3.14Å; C126-V183 PolarHBondContact SG-O 3.23Å; C126-D185 PolarHBondContact N-OD1 2.91Å
127T91.1Very high83.3Confident76 Ų7662.4 Ų62.447%0.46633%0.33SS..Hα-helixtrans-60.6-49.3171-53.80000111.7G125 R130 L131 D185G125-T127 PolarHBondContact O-N 3.1Å; G125-T127 VanDerWaalsContact O-N 3.17Å; T127-R130 PolarHBondContact O-N 2.99Å; T127-L131 PolarHBondContact O-N 3.42Å; T127-D185 WeakPolarHBondContact CB-OD1 3.41Å; T127-D185 PolarHBondContact N-OD1 3.02Å; T127-D185 PolarHBondContact OG1-OD1 3.44Å
128E91.1Very high83.7Confident84 Ų8464.7 Ų64.739%0.39335%0.35SS..Hα-helixtrans-70.7-42.6178.6178.756.9-152.500111.7M124 G125 R130 L131 Q132M124-E128 HydrophobicContact CG-CB 4.16Å; M124-E128 HydrophobicContact CG-CG 4.16Å; G125-E128 PolarHBondContact O-N 2.8Å; E128-R130 PolarHBondContact O-N 3.14Å; E128-L131 WeakPolarHBondContact O-CB 3.47Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.11Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.87Å; E128-Q132 WeakPolarHBondContact OE1-CG 3.32Å; E128-Q132 PolarHBondContact OE1-NE2 3.05Å
129A92Very high84.3Confident0 Ų063.4 Ų63.40%034%0.343CS..Hα-helixtrans-57.9-37.117600000111.8M124 G125 C133 Q178 L179 C182M124-A129 HydrophobicContact CG-CB 4.05Å; M124-A129 VanDerWaalsContact SD-CA 3.58Å; M124-A129 HydrophobicContact SD-CB 3.62Å; G125-A129 PolarHBondContact O-N 3.26Å; A129-C133 WeakPolarHBondContact O-CB 3.43Å; A129-C133 PolarHBondContact O-N 2.86Å; A129-Q178 HydrophobicContact CB-CB 4.32Å; A129-L179 HydrophobicContact CB-CD2 3.77Å; A129-L179 HydrophobicContact CB-CG 4.37Å; A129-C182 HydrophobicContact CB-CB 3.97Å
130R92.2Very high85.7Confident127 Ų12764.2 Ų64.248%0.47935%0.35SS..Hα-helixtrans-66-47.1175.1-162.5-178.378.8-166.2-6.6111.5C126 T127 E128 Q132 C133 E134 M143 L179C126-R130 WeakPolarHBondContact O-CB 3.04Å; C126-R130 PolarHBondContact O-N 3.27Å; T127-R130 PolarHBondContact O-N 2.99Å; E128-R130 PolarHBondContact O-N 3.14Å; R130-Q132 VanDerWaalsContact C-N 3.29Å; R130-Q132 PolarHBondContact O-N 2.79Å; R130-C133 PolarHBondContact O-N 3.25Å; R130-C133 VanDerWaalsContact O-N 3.16Å; R130-E134 HydrophobicContact CG-CG 4.49Å; R130-E134 WeakPolarHBondContact CG-OE1 3.48Å; R130-E134 IonicContact CZ-OE1 3.38Å; R130-E134 IonicContact NE-OE1 3.25Å; R130-E134 PolarHBondContact NE-OE1 3.4Å; R130-E134 WeakPolarHBondContact O-CG 3.26Å; R130-E134 PolarHBondContact O-N 2.71Å; R130-M143 HydrophobicContact CG-CE 4.43Å; R130-M143 HydrophobicContact CG-SD 4.12Å; R130-L179 HydrophobicContact CB-CD2 4.19Å
131L93Very high87.3Confident89 Ų8958.2 Ų58.247%0.46634%0.337SS..Hα-helixtrans-56.6-44.4177.1-176.966.5000111.5T127 E128 C133 E134 T135T127-L131 PolarHBondContact O-N 3.42Å; E128-L131 WeakPolarHBondContact O-CB 3.47Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.11Å; L131-C133 PolarHBondContact O-N 2.04Å; L131-E134 PolarHBondContact O-N 2.82Å; L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.1Å; L131-T135 PolarHBondContact O-N 3.29Å; L131-T135 VanDerWaalsContact O-N 3.13Å
132Q91.9Very high89.5Confident56 Ų5656.4 Ų56.426%0.26233%0.326SS..Hα-helixtrans-65-41.2178.2-66.7-173.318.200112.2E128 R130 T135 R175 Q178E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.87Å; E128-Q132 WeakPolarHBondContact OE1-CG 3.32Å; E128-Q132 PolarHBondContact OE1-NE2 3.05Å; R130-Q132 VanDerWaalsContact C-N 3.29Å; R130-Q132 PolarHBondContact O-N 2.79Å; Q132-T135 PolarHBondContact O-N 3.39Å; Q132-T135 PolarHBondContact O-OG1 3.38Å; Q132-R175 WeakPolarHBondContact O-CD 3.33Å; Q132-R175 PolarHBondContact O-NH1 3.22Å; Q132-Q178 VanDerWaalsContact OE1-OE1 3.04Å
133C94.1Very high91.4Very high0 Ų053.9 Ų53.90%031%0.305CS..Hα-helixtrans-67.5-35.2175.5-176.20000112.1A129 R130 L131 T135 D136 C139 S140 M143 R175 L179A129-C133 WeakPolarHBondContact O-CB 3.43Å; A129-C133 PolarHBondContact O-N 2.86Å; R130-C133 PolarHBondContact O-N 3.25Å; R130-C133 VanDerWaalsContact O-N 3.16Å; L131-C133 PolarHBondContact O-N 2.04Å; C133-T135 VanDerWaalsContact C-N 3.27Å; C133-T135 PolarHBondContact O-N 3.46Å; C133-D136 PolarHBondContact O-N 3.32Å; C133-D136 VanDerWaalsContact O-N 3.13Å; C133-C139 HydrophobicContact CB-CB 4.11Å; C133-C139 WeakPolarHBondContact CB-SG 3.46Å; C133-C139 WeakPolarHBondContact O-CB 3.4Å; C133-C139 VanDerWaalsContact SG-C 3.52Å; C133-C139 WeakPolarHBondContact SG-CB 3.26Å; C133-C139 CovalentContact SG-SG 2.02Å; C133-C139 PolarHBondContact SG-SG 2.6Å; C133-S140 PolarHBondContact O-N 3.26Å; C133-M143 HydrophobicContact CB-CE 3.49Å; C133-M143 VanDerWaalsContact CB-CE 3.49Å; C133-M143 HydrophobicContact CB-SD 4.05Å; C133-M143 WeakPolarHBondContact SG-CE 3.45Å; C133-R175 HydrophobicContact CB-CB 4.44Å; C133-L179 HydrophobicContact CB-CD1 3.91Å
134E94.8Very high92.8Very high88 Ų8851.8 Ų51.841%0.41130%0.299SS..Hα-helixtrans-63.4-32.2174.6-74.3170.3-168.700112.3R130 L131 D136 M143R130-E134 HydrophobicContact CG-CG 4.49Å; R130-E134 WeakPolarHBondContact CG-OE1 3.48Å; R130-E134 IonicContact CZ-OE1 3.38Å; R130-E134 IonicContact NE-OE1 3.25Å; R130-E134 PolarHBondContact NE-OE1 3.4Å; R130-E134 WeakPolarHBondContact O-CG 3.26Å; R130-E134 PolarHBondContact O-N 2.71Å; L131-E134 PolarHBondContact O-N 2.82Å; E134-D136 PolarHBondContact O-N 2.83Å; E134-M143 HydrophobicContact CB-CE 4.49Å; E134-M143 HydrophobicContact CG-CE 3.72Å
135T95.5Very high93.6Very high92 Ų9252.2 Ų52.256%0.56430%0.302SS*.THydrogen-bonded Turntrans-74-9.5176.468.40000113.9L131 Q132 C133 R175L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.1Å; L131-T135 PolarHBondContact O-N 3.29Å; L131-T135 VanDerWaalsContact O-N 3.13Å; Q132-T135 PolarHBondContact O-N 3.39Å; Q132-T135 PolarHBondContact O-OG1 3.38Å; C133-T135 VanDerWaalsContact C-N 3.27Å; C133-T135 PolarHBondContact O-N 3.46Å; T135-R175 PolarHBondContact O-NH1 3.03Å; T135-R175 PolarHBondContact OG1-NH1 2.92Å
136D94.3Very high93.8Very high41 Ų4153.1 Ų53.122%0.21930%0.302CS..SBendtrans-103.9115.9171.4172.79.5000109.3C133 E134 A138 C139 S140C133-D136 PolarHBondContact O-N 3.32Å; C133-D136 VanDerWaalsContact O-N 3.13Å; E134-D136 PolarHBondContact O-N 2.83Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 PolarHBondContact OD1-N 2.76Å; D136-C139 HydrophobicContact CB-CB 3.74Å; D136-C139 PolarHBondContact O-N 2.83Å; D136-C139 VanDerWaalsContact O-N 3.14Å; D136-C139 WeakPolarHBondContact OD2-CB 3.2Å; D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.24Å; D136-S140 PolarHBondContact O-N 3.17Å
137P94.9Very high93.8Very high108 Ų10857.1 Ų57.170%0.70132%0.322SS*.Hα-helixtrans-55-36.4179.6-25.834.2000113.9S141P137-S141 WeakPolarHBondContact O-CB 3.42Å; P137-S141 PolarHBondContact O-N 2.69Å
138A94.2Very high93.9Very high53 Ų5359.5 Ų59.544%0.43833%0.326SS..Hα-helixtrans-70.3-43.6179.900000111.3D136 A142D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 PolarHBondContact OD1-N 2.76Å; A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.05Å; A138-A142 PolarHBondContact O-N 3.37Å
139C94.9Very high94.1Very high0 Ų058.5 Ų58.50%032%0.321CS..Hα-helixtrans-68.4-43.5178.2-160.90000111.5C133 D136 A142 M143 R175 A176C133-C139 HydrophobicContact CB-CB 4.11Å; C133-C139 WeakPolarHBondContact CB-SG 3.46Å; C133-C139 WeakPolarHBondContact O-CB 3.4Å; C133-C139 VanDerWaalsContact SG-C 3.52Å; C133-C139 WeakPolarHBondContact SG-CB 3.26Å; C133-C139 CovalentContact SG-SG 2.02Å; C133-C139 PolarHBondContact SG-SG 2.6Å; D136-C139 HydrophobicContact CB-CB 3.74Å; D136-C139 PolarHBondContact O-N 2.83Å; D136-C139 VanDerWaalsContact O-N 3.14Å; D136-C139 WeakPolarHBondContact OD2-CB 3.2Å; C139-A142 CarbonylContact O-C 3.34Å; C139-A142 WeakPolarHBondContact O-CB 3.48Å; C139-A142 PolarHBondContact O-N 2.86Å; C139-A142 VanDerWaalsContact O-N 3.16Å; C139-M143 PolarHBondContact O-N 3.43Å; C139-R175 HydrophobicContact CB-CB 4.34Å; C139-A176 PolarHBondContact SG-N 3.42Å; C139-A176 VanDerWaalsContact SG-N 3.43Å
140S95.6Very high94.1Very high48 Ų4858.5 Ų58.534%0.33632%0.321SS..Hα-helixtrans-58.6-47.4174.8-175.20000112.1C133 D136 A142 M143 A144C133-S140 PolarHBondContact O-N 3.26Å; D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.24Å; D136-S140 PolarHBondContact O-N 3.17Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.87Å; S140-M143 WeakPolarHBondContact O-CB 3.24Å; S140-M143 PolarHBondContact O-N 3.22Å; S140-A144 PolarHBondContact O-N 3.2Å
141S96.7Very high94.1Very high66 Ų6659 Ų5946%0.46232%0.323SS..Hα-helixtrans-61.7-41.5173.6-175.40000112P137 M143 A144 D145P137-S141 WeakPolarHBondContact O-CB 3.42Å; P137-S141 PolarHBondContact O-N 2.69Å; S141-M143 VanDerWaalsContact C-N 3.32Å; S141-M143 PolarHBondContact O-N 2.94Å; S141-A144 PolarHBondContact O-N 3.23Å; S141-D145 PolarHBondContact O-N 3.46Å
142A95.5Very high93.8Very high1 Ų160 Ų601%0.00832%0.324CS..Hα-helixtrans-66.1-33177.900000112.6A138 C139 S140 D145 Y146 M166 M170 M173A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.05Å; A138-A142 PolarHBondContact O-N 3.37Å; C139-A142 CarbonylContact O-C 3.34Å; C139-A142 WeakPolarHBondContact O-CB 3.48Å; C139-A142 PolarHBondContact O-N 2.86Å; C139-A142 VanDerWaalsContact O-N 3.16Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.87Å; A142-D145 PolarHBondContact O-N 3Å; A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 3.17Å; A142-M166 HydrophobicContact CB-CE 3.76Å; A142-M166 WeakPolarHBondContact O-CE 3.01Å; A142-M170 HydrophobicContact CB-CG 4.21Å; A142-M173 HydrophobicContact CB-CE 4Å; A142-M173 HydrophobicContact CB-SD 3.82Å
143M93.8Very high93.5Very high30 Ų3057.5 Ų57.515%0.14831%0.312CS..Hα-helixtrans-63.6-41.5172.7-80.3-165.7-7100111.8R130 C133 E134 C139 S140 S141 Y146 L147 M170 L179R130-M143 HydrophobicContact CG-CE 4.43Å; R130-M143 HydrophobicContact CG-SD 4.12Å; C133-M143 HydrophobicContact CB-CE 3.49Å; C133-M143 VanDerWaalsContact CB-CE 3.49Å; C133-M143 HydrophobicContact CB-SD 4.05Å; C133-M143 WeakPolarHBondContact SG-CE 3.45Å; E134-M143 HydrophobicContact CB-CE 4.49Å; E134-M143 HydrophobicContact CG-CE 3.72Å; C139-M143 PolarHBondContact O-N 3.43Å; S140-M143 WeakPolarHBondContact O-CB 3.24Å; S140-M143 PolarHBondContact O-N 3.22Å; S141-M143 VanDerWaalsContact C-N 3.32Å; S141-M143 PolarHBondContact O-N 2.94Å; M143-Y146 WeakPolarHBondContact O-CB 3.26Å; M143-Y146 PolarHBondContact O-N 2.8Å; M143-L147 WeakPolarHBondContact O-CG 3.44Å; M143-L147 PolarHBondContact O-N 3.39Å; M143-L147 VanDerWaalsContact O-N 3.1Å; M143-M170 HydrophobicContact CG-CE 3.68Å; M143-L179 HydrophobicContact CG-CD1 4.09Å; M143-L179 HydrophobicContact SD-CD1 3.6Å; M143-L179 VanDerWaalsContact SD-CD1 3.6Å
144A94.2Very high93Very high59 Ų5960.8 Ų60.849%0.48833%0.327SS..Hα-helixtrans-63.4-45.6174.700000111.8S140 S141 Y146 L147 F148S140-A144 PolarHBondContact O-N 3.2Å; S141-A144 PolarHBondContact O-N 3.23Å; A144-Y146 VanDerWaalsContact C-N 3.27Å; A144-Y146 PolarHBondContact O-N 2.88Å; A144-L147 PolarHBondContact O-N 3.38Å; A144-F148 PolarHBondContact O-N 2.86Å; A144-F148 VanDerWaalsContact O-N 3.1Å
145D95.6Very high92.4Very high50 Ų5059.4 Ų59.427%0.26734%0.336SS..Hα-helixtrans-58.1-40.6175.4-69.1-18.1000111.5S141 A142 F148 H149 M166 K169S141-D145 PolarHBondContact O-N 3.46Å; A142-D145 PolarHBondContact O-N 3Å; D145-F148 PolarHBondContact O-N 2.94Å; D145-H149 WeakPolarHBondContact O-CB 3.31Å; D145-H149 PolarHBondContact O-CD2 2.85Å; D145-H149 PolarHBondContact O-N 3.06Å; D145-M166 HydrophobicContact CB-CE 3.86Å; D145-M166 HydrophobicContact CB-CG 4.29Å; D145-M166 HydrophobicContact CB-SD 3.49Å; D145-M166 WeakPolarHBondContact CB-SD 3.04Å; D145-K169 IonicContact OD2-NZ 3.08Å; D145-K169 PolarHBondContact OD2-NZ 3.08Å; D145-K169 VanDerWaalsContact OD2-NZ 3.08Å
146Y93.1Very high91.8Very high30 Ų3056.8 Ų56.812%0.11833%0.327CS..Hα-helixtrans-60.9-50.1177170.6-96.9000112.1A142 M143 A144 F148 H149 C150 F154 I167 M170 M199A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 3.17Å; M143-Y146 WeakPolarHBondContact O-CB 3.26Å; M143-Y146 PolarHBondContact O-N 2.8Å; A144-Y146 VanDerWaalsContact C-N 3.27Å; A144-Y146 PolarHBondContact O-N 2.88Å; Y146-F148 PolarHBondContact O-N 3.14Å; Y146-H149 PolarHBondContact O-N 2.77Å; Y146-C150 HydrophobicContact CD2-CB 4.12Å; Y146-C150 HydrophobicContact CE2-CB 3.91Å; Y146-C150 WeakPolarHBondContact O-CA 3.26Å; Y146-C150 WeakPolarHBondContact O-CB 3.45Å; Y146-C150 PolarHBondContact O-N 2.97Å; Y146-F154 HydrophobicContact CE1-CZ 4.24Å; Y146-I167 HydrophobicContact CD2-CG1 4.2Å; Y146-I167 HydrophobicContact CE2-CD1 4.42Å; Y146-I167 HydrophobicContact CE2-CG1 3.87Å; Y146-M170 WeakPolarHBondContact CB-SD 3.42Å; Y146-M170 HydrophobicContact CD2-SD 3.89Å; Y146-M170 HydrophobicContact CG-SD 3.74Å; Y146-M199 HydrophobicContact CE2-SD 4.34Å
147L91.4Very high91.5Very high101 Ų10159.8 Ų59.853%0.52934%0.34SS..Hα-helixtrans-58.9-36.2177.5-67.1176.1000111.6M143 A144 R151 F154M143-L147 WeakPolarHBondContact O-CG 3.44Å; M143-L147 PolarHBondContact O-N 3.39Å; M143-L147 VanDerWaalsContact O-N 3.1Å; A144-L147 PolarHBondContact O-N 3.38Å; L147-R151 WeakPolarHBondContact O-CB 3.41Å; L147-R151 PolarHBondContact O-N 3.27Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.75Å
148F93.7Very high91.2Very high126 Ų12664.8 Ų64.855%0.55335%0.345SS*.Hα-helixtrans-70.7-52.9178-179.4-102.5000113.1A144 D145 Y146 R151A144-F148 PolarHBondContact O-N 2.86Å; A144-F148 VanDerWaalsContact O-N 3.1Å; D145-F148 PolarHBondContact O-N 2.94Å; Y146-F148 PolarHBondContact O-N 3.14Å; F148-R151 WeakPolarHBondContact O-CG 3.46Å; F148-R151 PolarHBondContact O-NH1 2.78Å
149H94.1Very high91Very high63 Ų6362.8 Ų62.829%0.29233%0.327SS..Hα-helixtrans-75.4-30.5-174.9-72.8-68.7000113.1D145 Y146 S162 M166D145-H149 WeakPolarHBondContact O-CB 3.31Å; D145-H149 PolarHBondContact O-CD2 2.85Å; D145-H149 PolarHBondContact O-N 3.06Å; Y146-H149 PolarHBondContact O-N 2.77Å; H149-S162 PolarHBondContact CE1-OG 3.3Å; H149-S162 PolarHBondContact ND1-OG 3.36Å; H149-M166 HydrophobicContact CB-CB 4.31Å
150C92.9Very high90.8Very high1 Ų165 Ų651%0.00734%0.343CS..THydrogen-bonded Turntrans-100.59.8-178.4-61.90000113.7Y146 K152 L153 C163Y146-C150 HydrophobicContact CD2-CB 4.12Å; Y146-C150 HydrophobicContact CE2-CB 3.91Å; Y146-C150 WeakPolarHBondContact O-CA 3.26Å; Y146-C150 WeakPolarHBondContact O-CB 3.45Å; Y146-C150 PolarHBondContact O-N 2.97Å; C150-K152 PolarHBondContact O-N 3.11Å; C150-L153 HydrophobicContact CB-CB 4.47Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.19Å; C150-C163 VanDerWaalsContact CA-SG 3.54Å; C150-C163 HydrophobicContact CB-CB 4.07Å; C150-C163 WeakPolarHBondContact CB-SG 3.47Å; C150-C163 WeakPolarHBondContact SG-CA 3.09Å; C150-C163 WeakPolarHBondContact SG-CB 3.49Å; C150-C163 CovalentContact SG-SG 2.04Å; C150-C163 PolarHBondContact SG-SG 2.93Å
151R91Very high90.6Very high136 Ų13667.4 Ų67.451%0.51335%0.349SS..Hα-helixtrans-49.4-32.7179.566.5-174.8-179.2-97.48.6115.5L147 F148 L153 F154L147-R151 WeakPolarHBondContact O-CB 3.41Å; L147-R151 PolarHBondContact O-N 3.27Å; F148-R151 WeakPolarHBondContact O-CG 3.46Å; F148-R151 PolarHBondContact O-NH1 2.78Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.48Å; R151-F154 WeakPolarHBondContact O-CD2 3.48Å; R151-F154 PolarHBondContact O-N 3.13Å
152K87.8Confident90.4Very high111 Ų11166.8 Ų66.848%0.48335%0.345SS..Hα-helixtrans-69.4-24.2179.3-63.5-172.9177.4-172.20112.8C150 F154 G155 Q157C150-K152 PolarHBondContact O-N 3.11Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 2.99Å; K152-G155 PolarHBondContact O-N 3.08Å; K152-Q157 HydrophobicContact CB-CB 4.14Å; K152-Q157 WeakPolarHBondContact O-CB 3.26Å; K152-Q157 PolarHBondContact O-N 3.41Å
153L86.4Confident90.3Very high4 Ų466.9 Ų66.92%0.02135%0.345CS..Hα-helixtrans-60.6-41.6175.9-177.672.6000111.3C150 R151 G155 G156 M199 L202C150-L153 HydrophobicContact CB-CB 4.47Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.19Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.48Å; L153-G155 PolarHBondContact O-N 3.43Å; L153-G156 PolarHBondContact O-N 3.2Å; L153-M199 HydrophobicContact CD2-CB 3.95Å; L153-M199 HydrophobicContact CD2-CG 4.38Å; L153-L202 HydrophobicContact CD1-CB 3.84Å; L153-L202 HydrophobicContact CD1-CD1 3.89Å; L153-L202 HydrophobicContact CD1-CG 4.44Å
154F82.6Confident90.3Very high69 Ų6969 Ų6930%0.30335%0.351SS..Hα-helixtrans-63.1-28.6-179.9-54.2-66.7000112.1Y146 L147 R151 K152 G156 I195Y146-F154 HydrophobicContact CE1-CZ 4.24Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.75Å; R151-F154 WeakPolarHBondContact O-CD2 3.48Å; R151-F154 PolarHBondContact O-N 3.13Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 2.99Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 2.93Å; F154-I195 HydrophobicContact CD1-CD1 3.99Å; F154-I195 HydrophobicContact CD1-CG1 3.75Å; F154-I195 HydrophobicContact CE1-CB 4.5Å; F154-I195 HydrophobicContact CE1-CD1 3.59Å; F154-I195 HydrophobicContact CE1-CG1 3.64Å; F154-I195 HydrophobicContact CE1-CG2 4.03Å
155G82.9Confident90.2Very high59 Ų5972.7 Ų72.761%0.60836%0.357SS*.THydrogen-bonded Turntrans-85.911.9173.200000114.8K152 L153 Q157K152-G155 PolarHBondContact O-N 3.08Å; L153-G155 PolarHBondContact O-N 3.43Å; G155-Q157 PolarHBondContact O-N 3.41Å
156G82Confident90.2Very high37 Ų3770.9 Ų70.938%0.38135%0.347SS..THydrogen-bonded Turntrans77.413.9176.800000115.3L153 F154L153-G156 PolarHBondContact O-N 3.2Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 2.93Å
157Q87.5Confident90.1Very high104 Ų10470 Ų7049%0.48634%0.344SS..PPolyproline II helixtrans-88.3150.3179.3-62.4173.150.400111.9K152 G155K152-Q157 HydrophobicContact CB-CB 4.14Å; K152-Q157 WeakPolarHBondContact O-CB 3.26Å; K152-Q157 PolarHBondContact O-N 3.41Å; G155-Q157 PolarHBondContact O-N 3.41Å
158R89.1Confident90.2Very high212 Ų21268 Ų6880%0.834%0.342SS*.PPolyproline II helixtrans-56.9146.8173.6-75.3-167.1167117.8-0112.2S160 L202R158-S160 PolarHBondContact O-N 3.31Å; R158-L202 HydrophobicContact CG-CD2 4.47Å
159C90.9Very high90.1Very high11 Ų1166.3 Ų66.37%0.07434%0.335CS..PPolyproline II helixtrans-68.7130.6-175.8-580000111.2C163 R164 L202 C203C159-C163 HydrophobicContact CB-CB 4.42Å; C159-R164 HydrophobicContact CB-CG 4.02Å; C159-L202 PolarHBondContact N-O 3.19Å; C159-L202 PolarHBondContact SG-O 3.41Å; C159-C203 HydrophobicContact CB-CB 3.69Å; C159-C203 WeakPolarHBondContact CB-SG 3.46Å; C159-C203 WeakPolarHBondContact SG-CA 3.49Å; C159-C203 WeakPolarHBondContact SG-CB 3.42Å; C159-C203 PolarHBondContact SG-N 3.33Å; C159-C203 CovalentContact SG-SG 2.01Å; C159-C203 PolarHBondContact SG-SG 3.09Å
160S91Very high90Very high48 Ų4864.3 Ų64.334%0.33633%0.326SS..PPolyproline II helixtrans-67.9158.5170.5700000110.1R158 S162 C163 R164R158-S160 PolarHBondContact O-N 3.31Å; S160-S162 PolarHBondContact O-N 2.9Å; S160-C163 WeakPolarHBondContact O-CB 3.44Å; S160-C163 PolarHBondContact O-N 3.46Å; S160-C163 WeakPolarHBondContact OG-CB 3.08Å; S160-C163 PolarHBondContact OG-N 3Å; S160-R164 PolarHBondContact O-N 3.13Å
161E90.9Very high89.9Confident97 Ų9769.9 Ų69.945%0.45335%0.346SS..Hα-helixtrans-58.8-35.7174.1-169.352.7-146.300112.2R164 K165E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 IonicContact OE2-CZ 3.33Å; E161-R164 IonicContact OE2-NE 3.02Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.81Å; E161-R164 PolarHBondContact OE2-NH2 3.23Å; E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 2.04Å
162S92.4Very high89.9Confident54 Ų5467.4 Ų67.438%0.37835%0.35SS..Hα-helixtrans-63.8-40.9174.1-171.60000112.5H149 S160 M166H149-S162 PolarHBondContact CE1-OG 3.3Å; H149-S162 PolarHBondContact ND1-OG 3.36Å; S160-S162 PolarHBondContact O-N 2.9Å; S162-M166 PolarHBondContact O-N 3.13Å; S162-M166 VanDerWaalsContact O-N 3.11Å
163C93.8Very high89.9Confident2 Ų263.8 Ų63.81%0.01434%0.335CS..Hα-helixtrans-67.5-42.5176.5173.40000111.3C150 C159 S160 K165 M166 I167C150-C163 VanDerWaalsContact CA-SG 3.54Å; C150-C163 HydrophobicContact CB-CB 4.07Å; C150-C163 WeakPolarHBondContact CB-SG 3.47Å; C150-C163 WeakPolarHBondContact SG-CA 3.09Å; C150-C163 WeakPolarHBondContact SG-CB 3.49Å; C150-C163 CovalentContact SG-SG 2.04Å; C150-C163 PolarHBondContact SG-SG 2.93Å; C159-C163 HydrophobicContact CB-CB 4.42Å; S160-C163 WeakPolarHBondContact O-CB 3.44Å; S160-C163 PolarHBondContact O-N 3.46Å; S160-C163 WeakPolarHBondContact OG-CB 3.08Å; S160-C163 PolarHBondContact OG-N 3Å; C163-K165 PolarHBondContact O-N 2.03Å; C163-M166 WeakPolarHBondContact O-CB 3.3Å; C163-M166 PolarHBondContact O-N 3.29Å; C163-M166 VanDerWaalsContact O-N 3.1Å; C163-I167 WeakPolarHBondContact O-CG1 3.4Å; C163-I167 PolarHBondContact O-N 3.12Å
164R92.3Very high89.8Confident74 Ų7468.2 Ų68.228%0.27936%0.364SS..Hα-helixtrans-59-45.5176.6-73-170.1-77-130.71.1112.4C159 S160 E161 M166 I167 A168C159-R164 HydrophobicContact CB-CG 4.02Å; S160-R164 PolarHBondContact O-N 3.13Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 IonicContact OE2-CZ 3.33Å; E161-R164 IonicContact OE2-NE 3.02Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.81Å; E161-R164 PolarHBondContact OE2-NH2 3.23Å; R164-M166 VanDerWaalsContact C-N 3.3Å; R164-M166 PolarHBondContact O-N 3.14Å; R164-I167 PolarHBondContact O-N 2.77Å; R164-A168 PolarHBondContact O-N 3.21Å
165K93.6Very high90Very high138 Ų13869.4 Ų69.460%0.637%0.367SS*.Hα-helixtrans-60.2-39.8173.9-72.2176.8-178.6-179.70112.2E161 C163 A168 K169E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 2.04Å; C163-K165 PolarHBondContact O-N 2.03Å; K165-A168 PolarHBondContact O-N 2.91Å; K165-K169 PolarHBondContact O-N 3.46Å
166M94.4Very high90.3Very high11 Ų1166.9 Ų66.95%0.05434%0.34CS..Hα-helixtrans-66.8-41.7177.9-16859.2-129.100112.2A142 D145 H149 S162 C163 R164 A168 K169 M170A142-M166 HydrophobicContact CB-CE 3.76Å; A142-M166 WeakPolarHBondContact O-CE 3.01Å; D145-M166 HydrophobicContact CB-CE 3.86Å; D145-M166 HydrophobicContact CB-CG 4.29Å; D145-M166 HydrophobicContact CB-SD 3.49Å; D145-M166 WeakPolarHBondContact CB-SD 3.04Å; H149-M166 HydrophobicContact CB-CB 4.31Å; S162-M166 PolarHBondContact O-N 3.13Å; S162-M166 VanDerWaalsContact O-N 3.11Å; C163-M166 WeakPolarHBondContact O-CB 3.3Å; C163-M166 PolarHBondContact O-N 3.29Å; C163-M166 VanDerWaalsContact O-N 3.1Å; R164-M166 VanDerWaalsContact C-N 3.3Å; R164-M166 PolarHBondContact O-N 3.14Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.17Å; M166-K169 HydrophobicContact CE-CB 4.18Å; M166-K169 HydrophobicContact CE-CD 3.68Å; M166-K169 HydrophobicContact CE-CG 4.03Å; M166-K169 WeakPolarHBondContact O-CB 3.3Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 3.94Å; M166-M170 HydrophobicContact CE-CG 3.63Å; M166-M170 PolarHBondContact O-N 2.76Å
167I92.1Very high90.6Very high12 Ų1270.2 Ų70.26%0.06235%0.346CS..Hα-helixtrans-60.3-44.4173.6-68.4165.2000110.6Y146 C163 R164 K169 M170 R171 M199 C203Y146-I167 HydrophobicContact CD2-CG1 4.2Å; Y146-I167 HydrophobicContact CE2-CD1 4.42Å; Y146-I167 HydrophobicContact CE2-CG1 3.87Å; C163-I167 WeakPolarHBondContact O-CG1 3.4Å; C163-I167 PolarHBondContact O-N 3.12Å; R164-I167 PolarHBondContact O-N 2.77Å; I167-K169 PolarHBondContact O-N 2.85Å; I167-M170 PolarHBondContact O-N 2.7Å; I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3.24Å; I167-M199 HydrophobicContact CD1-CG 3.97Å; I167-M199 HydrophobicContact CD1-SD 4.04Å; I167-M199 HydrophobicContact CG1-SD 4.26Å; I167-M199 HydrophobicContact CG2-SD 4.5Å; I167-C203 HydrophobicContact CD1-CB 4.2Å; I167-C203 WeakPolarHBondContact CD1-SG 3.26Å
168A92.3Very high90.6Very high59 Ų5968.3 Ų68.349%0.48834%0.337SS..Hα-helixtrans-61.7-42.3175.800000112.2R164 K165 M166 R171 S172R164-A168 PolarHBondContact O-N 3.21Å; K165-A168 PolarHBondContact O-N 2.91Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.17Å; A168-R171 PolarHBondContact O-N 3.27Å; A168-S172 PolarHBondContact O-N 2.98Å
169K93.1Very high90.6Very high91 Ų9159.9 Ų59.940%0.39631%0.307SS..Hα-helixtrans-58.9-48173.8176.2-179.1167.7-162.80111.1D145 K165 M166 I167 R171 S172 M173D145-K169 IonicContact OD2-NZ 3.08Å; D145-K169 PolarHBondContact OD2-NZ 3.08Å; D145-K169 VanDerWaalsContact OD2-NZ 3.08Å; K165-K169 PolarHBondContact O-N 3.46Å; M166-K169 HydrophobicContact CE-CB 4.18Å; M166-K169 HydrophobicContact CE-CD 3.68Å; M166-K169 HydrophobicContact CE-CG 4.03Å; M166-K169 WeakPolarHBondContact O-CB 3.3Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 3.94Å; I167-K169 PolarHBondContact O-N 2.85Å; K169-R171 PolarHBondContact O-N 2.87Å; K169-S172 WeakPolarHBondContact O-CB 3.39Å; K169-S172 PolarHBondContact O-N 3.43Å; K169-S172 VanDerWaalsContact O-N 3.15Å; K169-S172 PolarHBondContact O-OG 2.86Å; K169-M173 HydrophobicContact CG-CE 4.02Å
170M91.9Very high90.3Very high21 Ų2162.2 Ų62.210%0.10332%0.319CS..Hα-helixtrans-61.1-43.3177.2-72.4-166.879.900112A142 M143 Y146 M166 I167 S172 M173 A176 L179A142-M170 HydrophobicContact CB-CG 4.21Å; M143-M170 HydrophobicContact CG-CE 3.68Å; Y146-M170 WeakPolarHBondContact CB-SD 3.42Å; Y146-M170 HydrophobicContact CD2-SD 3.89Å; Y146-M170 HydrophobicContact CG-SD 3.74Å; M166-M170 HydrophobicContact CE-CG 3.63Å; M166-M170 PolarHBondContact O-N 2.76Å; I167-M170 PolarHBondContact O-N 2.7Å; M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 VanDerWaalsContact O-N 3.1Å; M170-M173 PolarHBondContact O-N 3.11Å; M170-A176 HydrophobicContact CB-CB 4.09Å; M170-A176 HydrophobicContact CE-CB 3.98Å; M170-A176 WeakPolarHBondContact O-CB 3.24Å; M170-L179 HydrophobicContact CE-CD1 4.23Å
171R90Very high90Very high117 Ų11762.4 Ų62.444%0.44232%0.324SS..Hα-helixtrans-63-17.6177.4-75.4179.6171.4143.84.1114.3I167 A168 K169 M173 Q177 D180I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3.24Å; A168-R171 PolarHBondContact O-N 3.27Å; K169-R171 PolarHBondContact O-N 2.87Å; R171-M173 VanDerWaalsContact C-N 3.31Å; R171-Q177 WeakPolarHBondContact O-CG 3.2Å; R171-Q177 PolarHBondContact O-NE2 2.92Å; R171-D180 IonicContact CZ-OD2 3.39Å; R171-D180 IonicContact NE-OD2 2.88Å; R171-D180 PolarHBondContact NE-OD2 2.93Å; R171-D180 IonicContact NH2-OD1 3.61Å; R171-D180 IonicContact NH2-OD2 3.01Å; R171-D180 PolarHBondContact NH2-OD2 2.97Å
172S90.8Very high89.9Confident85 Ų8558.2 Ų58.259%0.59431%0.305SS*.THydrogen-bonded Turntrans-78.5-14.2173.475.80000113.6A168 K169 M170A168-S172 PolarHBondContact O-N 2.98Å; K169-S172 WeakPolarHBondContact O-CB 3.39Å; K169-S172 PolarHBondContact O-N 3.43Å; K169-S172 VanDerWaalsContact O-N 3.15Å; K169-S172 PolarHBondContact O-OG 2.86Å; M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 VanDerWaalsContact O-N 3.1Å
173M88Confident89.8Confident34 Ų3459 Ų5917%0.16731%0.308CS..SBendtrans-98.7127.8-177.7-60.1171.9-175.900111A142 K169 M170 R171 R175 A176 Q177A142-M173 HydrophobicContact CB-CE 4Å; A142-M173 HydrophobicContact CB-SD 3.82Å; K169-M173 HydrophobicContact CG-CE 4.02Å; M170-M173 PolarHBondContact O-N 3.11Å; R171-M173 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 3.37Å; M173-A176 HydrophobicContact CB-CB 4.06Å; M173-A176 PolarHBondContact O-N 3.41Å; M173-A176 VanDerWaalsContact O-N 3.11Å; M173-Q177 WeakPolarHBondContact O-CG 3.12Å; M173-Q177 PolarHBondContact O-N 3.34Å
174P84.9Confident89.6Confident97 Ų9759.6 Ų59.663%0.6331%0.311SS*.Hα-helixtrans-57-42.7-175.2-27.734.6000114.7A176 Q177P174-A176 VanDerWaalsContact C-N 3.35Å; P174-A176 PolarHBondContact O-N 3.31Å; P174-Q177 PolarHBondContact O-N 3.43Å
175R86.9Confident89.4Confident94 Ų9458.9 Ų58.936%0.35531%0.313SS..Hα-helixtrans-70.4-31179.3-63.4-162.8-174170.5-0.2112.8Q132 C133 T135 C139 M173 Q178Q132-R175 WeakPolarHBondContact O-CD 3.33Å; Q132-R175 PolarHBondContact O-NH1 3.22Å; C133-R175 HydrophobicContact CB-CB 4.44Å; T135-R175 PolarHBondContact O-NH1 3.03Å; T135-R175 PolarHBondContact OG1-NH1 2.92Å; C139-R175 HydrophobicContact CB-CB 4.34Å; M173-R175 PolarHBondContact O-N 3.37Å; R175-Q178 WeakPolarHBondContact O-CB 3.26Å; R175-Q178 PolarHBondContact O-N 3.45Å
176A88.9Confident89Confident6 Ų655 Ų555%0.0531%0.313CS..Hα-helixtrans-78.7-25.1176.300000112.8C139 M170 M173 P174 Q178 L179 D180C139-A176 PolarHBondContact SG-N 3.42Å; C139-A176 VanDerWaalsContact SG-N 3.43Å; M170-A176 HydrophobicContact CB-CB 4.09Å; M170-A176 HydrophobicContact CE-CB 3.98Å; M170-A176 WeakPolarHBondContact O-CB 3.24Å; M173-A176 HydrophobicContact CB-CB 4.06Å; M173-A176 PolarHBondContact O-N 3.41Å; M173-A176 VanDerWaalsContact O-N 3.11Å; P174-A176 VanDerWaalsContact C-N 3.35Å; P174-A176 PolarHBondContact O-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.07Å; A176-L179 WeakPolarHBondContact O-CB 3.39Å; A176-L179 PolarHBondContact O-N 2.93Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-D180 PolarHBondContact O-N 3.43Å
177Q88.6Confident88.6Confident107 Ų10761 Ų6150%0.535%0.35SS..Hα-helixtrans-60.3-34.1170.9-72.5177.6-3.200111.9R171 M173 P174 L179 D180 A181R171-Q177 WeakPolarHBondContact O-CG 3.2Å; R171-Q177 PolarHBondContact O-NE2 2.92Å; M173-Q177 WeakPolarHBondContact O-CG 3.12Å; M173-Q177 PolarHBondContact O-N 3.34Å; P174-Q177 PolarHBondContact O-N 3.43Å; Q177-L179 VanDerWaalsContact C-N 3.28Å; Q177-L179 PolarHBondContact O-N 3.36Å; Q177-D180 PolarHBondContact O-N 3.05Å; Q177-D180 VanDerWaalsContact O-N 3.17Å; Q177-A181 PolarHBondContact O-N 3Å
178Q87.1Confident88.3Confident64 Ų6464.7 Ų64.730%0.29937%0.37SS..Hα-helixtrans-64.1-33.3176.4-61.8174-1.600111.9M124 A129 Q132 R175 A176 D180 A181 C182M124-Q178 HydrophobicContact SD-CB 4.06Å; M124-Q178 HydrophobicContact SD-CG 4.45Å; M124-Q178 PolarHBondContact SD-OE1 2.02Å; A129-Q178 HydrophobicContact CB-CB 4.32Å; Q132-Q178 VanDerWaalsContact OE1-OE1 3.04Å; R175-Q178 WeakPolarHBondContact O-CB 3.26Å; R175-Q178 PolarHBondContact O-N 3.45Å; A176-Q178 PolarHBondContact O-N 3.07Å; Q178-D180 VanDerWaalsContact C-N 3.32Å; Q178-D180 PolarHBondContact O-N 3.35Å; Q178-A181 PolarHBondContact O-N 3.21Å; Q178-C182 VanDerWaalsContact O-CB 3.26Å; Q178-C182 WeakPolarHBondContact O-CB 2.74Å; Q178-C182 PolarHBondContact O-N 3.02Å
179L88.9Confident88Confident35 Ų3567.6 Ų67.618%0.18337%0.368CS..Hα-helixtrans-66.4-31.6174.5-67169000112.9A129 R130 C133 M143 M170 A176 Q177 C182 K196A129-L179 HydrophobicContact CB-CD2 3.77Å; A129-L179 HydrophobicContact CB-CG 4.37Å; R130-L179 HydrophobicContact CB-CD2 4.19Å; C133-L179 HydrophobicContact CB-CD1 3.91Å; M143-L179 HydrophobicContact CG-CD1 4.09Å; M143-L179 HydrophobicContact SD-CD1 3.6Å; M143-L179 VanDerWaalsContact SD-CD1 3.6Å; M170-L179 HydrophobicContact CE-CD1 4.23Å; A176-L179 WeakPolarHBondContact O-CB 3.39Å; A176-L179 PolarHBondContact O-N 2.93Å; A176-L179 VanDerWaalsContact O-N 3.13Å; Q177-L179 VanDerWaalsContact C-N 3.28Å; Q177-L179 PolarHBondContact O-N 3.36Å; L179-C182 PolarHBondContact O-SG 3.11Å; L179-K196 PolarHBondContact O-NZ 2.93Å
180D85.2Confident87.6Confident61 Ų6168.8 Ų68.833%0.32638%0.379SS..Hα-helixtrans-73.2-35.9175.4-156.721.9000110.6R171 A176 Q177 Q178 K196 M199R171-D180 IonicContact CZ-OD2 3.39Å; R171-D180 IonicContact NE-OD2 2.88Å; R171-D180 PolarHBondContact NE-OD2 2.93Å; R171-D180 IonicContact NH2-OD1 3.61Å; R171-D180 IonicContact NH2-OD2 3.01Å; R171-D180 PolarHBondContact NH2-OD2 2.97Å; A176-D180 PolarHBondContact O-N 3.43Å; Q177-D180 PolarHBondContact O-N 3.05Å; Q177-D180 VanDerWaalsContact O-N 3.17Å; Q178-D180 VanDerWaalsContact C-N 3.32Å; Q178-D180 PolarHBondContact O-N 3.35Å; D180-K196 WeakPolarHBondContact O-CE 3.23Å; D180-K196 PolarHBondContact O-NZ 3.27Å; D180-M199 VanDerWaalsContact OD1-CE 3.29Å; D180-M199 WeakPolarHBondContact OD1-CE 3.48Å
181A84.4Confident87.4Confident52 Ų5272.7 Ų72.743%0.4340%0.399SS..Hα-helixtrans-89.2-18.4-176.500000115.5Q177 Q178Q177-A181 PolarHBondContact O-N 3Å; Q178-A181 PolarHBondContact O-N 3.21Å
182C89.2Confident87.4Confident8 Ų868.4 Ų68.45%0.05439%0.386CS..PPolyproline II helixtrans-60.7158.4-173.163.20000114.4M124 C126 A129 Q178 L179 K196M124-C182 CarbonylContact O-C 3.58Å; M124-C182 VanDerWaalsContact O-CA 3.26Å; M124-C182 WeakPolarHBondContact O-CA 3.47Å; M124-C182 VanDerWaalsContact O-CB 3.24Å; M124-C182 WeakPolarHBondContact O-CB 3.27Å; C126-C182 WeakPolarHBondContact CA-SG 3.45Å; C126-C182 HydrophobicContact CB-CB 3.92Å; C126-C182 WeakPolarHBondContact CB-SG 3.15Å; C126-C182 VanDerWaalsContact SG-C 3.51Å; C126-C182 WeakPolarHBondContact SG-CB 3.36Å; C126-C182 CovalentContact SG-SG 2.03Å; C126-C182 PolarHBondContact SG-SG 2.68Å; A129-C182 HydrophobicContact CB-CB 3.97Å; Q178-C182 VanDerWaalsContact O-CB 3.26Å; Q178-C182 WeakPolarHBondContact O-CB 2.74Å; Q178-C182 PolarHBondContact O-N 3.02Å; L179-C182 PolarHBondContact O-SG 3.11Å; C182-K196 PolarHBondContact O-NZ 3.36Å
183V90.4Very high87.4Confident72 Ų7268.1 Ų68.144%0.43638%0.376SS..BIsolated β-bridgetrans-92.7129172.1179.90000109.1T123 M124 G125 C126 D185T123-V183 HydrophobicContact CG2-CG2 4.23Å; M124-V183 PolarHBondContact O-N 3.22Å; G125-V183 CarbonylContact C-O 3.49Å; G125-V183 WeakPolarHBondContact CA-O 3.32Å; C126-V183 PolarHBondContact N-O 3.14Å; C126-V183 PolarHBondContact SG-O 3.23Å; V183-D185 PolarHBondContact O-N 3.18Å
184C89Confident87.5Confident13 Ų1371.8 Ų71.89%0.08839%0.389CS..PPolyproline II helixtrans-63.9121177.9-66.90000110.3R189 C192 E193C184-R189 HydrophobicContact CB-CG 4.02Å; C184-R189 WeakPolarHBondContact O-CD 3.48Å; C184-R189 WeakPolarHBondContact O-CG 3.42Å; C184-C192 VanDerWaalsContact CA-SG 3.54Å; C184-C192 HydrophobicContact CB-CB 3.62Å; C184-C192 WeakPolarHBondContact CB-SG 3.41Å; C184-C192 WeakPolarHBondContact SG-CB 3.46Å; C184-C192 CovalentContact SG-SG 2.04Å; C184-C192 PolarHBondContact SG-SG 3.46Å; C184-E193 HydrophobicContact CB-CG 3.72Å; C184-E193 PolarHBondContact SG-N 3.46Å
185D88.3Confident87.7Confident60 Ų6069.1 Ų69.132%0.32137%0.368SS..  trans-134.5174.7-176.868.4-27.7000111.2G125 C126 T127 V183G125-D185 VanDerWaalsContact CA-CG 3.46Å; G125-D185 VanDerWaalsContact CA-OD2 3.31Å; G125-D185 WeakPolarHBondContact CA-OD2 3.37Å; C126-D185 PolarHBondContact N-OD1 2.91Å; T127-D185 WeakPolarHBondContact CB-OD1 3.41Å; T127-D185 PolarHBondContact N-OD1 3.02Å; T127-D185 PolarHBondContact OG1-OD1 3.44Å; V183-D185 PolarHBondContact O-N 3.18Å
186G85.4Confident87.8Confident57 Ų5767.3 Ų67.359%0.58836%0.363SS*.SBendtrans74.3-163.3177.700000115D188 R189G186-D188 VanDerWaalsContact C-N 3.33Å; G186-R189 WeakPolarHBondContact O-CB 3.29Å
187T85.3Confident87.8Confident137 Ų13772.2 Ų72.284%0.8439%0.388SS*.THydrogen-bonded Turntrans-70-30.7-176.648.90000112.8R189T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 3.49Å
188D85.8Confident87.8Confident89 Ų8967.5 Ų67.548%0.47637%0.367SS..THydrogen-bonded Turntrans-90.514.2-176.9-60.5-28.1000112.6G186 N190 I191 C192G186-D188 VanDerWaalsContact C-N 3.33Å; D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-I191 PolarHBondContact O-N 2.99Å; D188-C192 PolarHBondContact O-N 3.25Å
189R85.1Confident87.8Confident120 Ų12065.8 Ų65.845%0.45336%0.359SS..Hα-helixtrans-49.6-48.1-176.1-175.9172.991.2102.7-5.5112.8C184 G186 T187 I191 C192 E193C184-R189 HydrophobicContact CB-CG 4.02Å; C184-R189 WeakPolarHBondContact O-CD 3.48Å; C184-R189 WeakPolarHBondContact O-CG 3.42Å; G186-R189 WeakPolarHBondContact O-CB 3.29Å; T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 3.49Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.2Å; R189-C192 WeakPolarHBondContact O-CB 3.38Å; R189-C192 PolarHBondContact O-N 3.18Å; R189-E193 HydrophobicContact CG-CG 4.47Å; R189-E193 WeakPolarHBondContact CG-OE1 3.43Å; R189-E193 IonicContact CZ-OE1 3.41Å; R189-E193 IonicContact NE-OE1 3.49Å; R189-E193 IonicContact NH1-OE1 3.57Å; R189-E193 PolarHBondContact NH1-OE1 3.03Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 2.8Å
190N85.5Confident87.8Confident115 Ų11572 Ų7262%0.61539%0.385SS*.Hα-helixtrans-64-39-178.6-63-24.1000112.2D188 Y194D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.44Å; N190-Y194 WeakPolarHBondContact O-CB 3.38Å; N190-Y194 PolarHBondContact O-N 3.09Å
191I88.1Confident87.9Confident104 Ų10473.1 Ų73.153%0.53339%0.394SS..Hα-helixtrans-69.3-44.1178.3-60.9171.4000109.5D188 R189 E193 Y194 I195D188-I191 PolarHBondContact O-N 2.99Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.2Å; I191-E193 PolarHBondContact O-N 3.37Å; I191-Y194 PolarHBondContact O-N 3.38Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.48Å; I191-I195 VanDerWaalsContact O-CG1 3.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.26Å
192C90.4Very high88.1Confident26 Ų2672.3 Ų72.318%0.17638%0.382CS..Hα-helixtrans-57.1-49.4174.91740000111.6C184 D188 R189 Y194 I195 K196C184-C192 VanDerWaalsContact CA-SG 3.54Å; C184-C192 HydrophobicContact CB-CB 3.62Å; C184-C192 WeakPolarHBondContact CB-SG 3.41Å; C184-C192 WeakPolarHBondContact SG-CB 3.46Å; C184-C192 CovalentContact SG-SG 2.04Å; C184-C192 PolarHBondContact SG-SG 3.46Å; D188-C192 PolarHBondContact O-N 3.25Å; R189-C192 WeakPolarHBondContact O-CB 3.38Å; R189-C192 PolarHBondContact O-N 3.18Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.41Å; C192-I195 PolarHBondContact O-N 3.49Å; C192-K196 WeakPolarHBondContact O-CG 3.47Å; C192-K196 PolarHBondContact O-N 3.36Å
193E90.3Very high88Confident79 Ų7972.9 Ų72.937%0.36939%0.386SS..Hα-helixtrans-61.1-43.2179.3-73.6175.9-175.100111.4C184 R189 I191 I195 K196 L197C184-E193 HydrophobicContact CB-CG 3.72Å; C184-E193 PolarHBondContact SG-N 3.46Å; R189-E193 HydrophobicContact CG-CG 4.47Å; R189-E193 WeakPolarHBondContact CG-OE1 3.43Å; R189-E193 IonicContact CZ-OE1 3.41Å; R189-E193 IonicContact NE-OE1 3.49Å; R189-E193 IonicContact NH1-OE1 3.57Å; R189-E193 PolarHBondContact NH1-OE1 3.03Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 2.8Å; I191-E193 PolarHBondContact O-N 3.37Å; E193-I195 PolarHBondContact O-N 3.38Å; E193-K196 PolarHBondContact O-N 2.79Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 PolarHBondContact O-N 3.22Å
194Y89.9Confident87.7Confident112 Ų11272.3 Ų72.344%0.43939%0.389SS..Hα-helixtrans-60-44.6175.2176.8-97.1000112.3N190 I191 C192 L197 S198N190-Y194 WeakPolarHBondContact O-CB 3.38Å; N190-Y194 PolarHBondContact O-N 3.09Å; I191-Y194 PolarHBondContact O-N 3.38Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.41Å; Y194-L197 PolarHBondContact O-N 2.85Å; Y194-S198 WeakPolarHBondContact O-CB 3.39Å; Y194-S198 PolarHBondContact O-N 3.49Å; Y194-S198 PolarHBondContact O-OG 3.46Å
195I88.8Confident86.5Confident40 Ų4080.1 Ų80.121%0.20542%0.424CS..Hα-helixtrans-64.8-46.6179.1-67.2164.3000110.6F154 I191 C192 E193 L197 S198 M199F154-I195 HydrophobicContact CD1-CD1 3.99Å; F154-I195 HydrophobicContact CD1-CG1 3.75Å; F154-I195 HydrophobicContact CE1-CB 4.5Å; F154-I195 HydrophobicContact CE1-CD1 3.59Å; F154-I195 HydrophobicContact CE1-CG1 3.64Å; F154-I195 HydrophobicContact CE1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.48Å; I191-I195 VanDerWaalsContact O-CG1 3.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.26Å; C192-I195 PolarHBondContact O-N 3.49Å; E193-I195 PolarHBondContact O-N 3.38Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 3.36Å; I195-S198 PolarHBondContact O-N 3.33Å; I195-M199 VanDerWaalsContact O-CB 3.32Å; I195-M199 WeakPolarHBondContact O-CB 3.22Å; I195-M199 PolarHBondContact O-N 3.46Å
196K89.2Confident85Confident56 Ų5682 Ų8224%0.24344%0.442CS..Hα-helixtrans-62.3-42.9179.5-68.1-171.279.7144.90111.3L179 D180 C182 C192 E193 K200L179-K196 PolarHBondContact O-NZ 2.93Å; D180-K196 WeakPolarHBondContact O-CE 3.23Å; D180-K196 PolarHBondContact O-NZ 3.27Å; C182-K196 PolarHBondContact O-NZ 3.36Å; C192-K196 WeakPolarHBondContact O-CG 3.47Å; C192-K196 PolarHBondContact O-N 3.36Å; E193-K196 PolarHBondContact O-N 2.79Å; K196-K200 WeakPolarHBondContact O-CB 3.34Å; K196-K200 PolarHBondContact O-N 2.03Å; K196-K200 VanDerWaalsContact O-N 3.1Å
197L88.2Confident83.3Confident109 Ų10981.8 Ų81.857%0.57144%0.44SS*.Hα-helixtrans-65.1-47.7176.2-178.261.9000111.5E193 Y194 I195 M199 K200 T201E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 PolarHBondContact O-N 3.22Å; Y194-L197 PolarHBondContact O-N 2.85Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 3.36Å; L197-M199 VanDerWaalsContact C-N 3.35Å; L197-M199 PolarHBondContact O-N 2.86Å; L197-K200 WeakPolarHBondContact O-CB 3.5Å; L197-K200 PolarHBondContact O-N 3.06Å; L197-K200 VanDerWaalsContact O-N 3.16Å; L197-T201 HydrophobicContact CD1-CG2 4.09Å; L197-T201 HydrophobicContact CG-CG2 4.49Å; L197-T201 WeakPolarHBondContact O-CG2 3.12Å; L197-T201 PolarHBondContact O-N 3.25Å; L197-T201 PolarHBondContact O-OG1 3.5Å; L197-T201 VanDerWaalsContact O-OG1 3.09Å
198S89.3Confident81.4Confident9 Ų982.7 Ų82.76%0.06344%0.439CS..Hα-helixtrans-59.4-45.6178.8-63.90000111.2Y194 I195 K200 T201 L202Y194-S198 WeakPolarHBondContact O-CB 3.39Å; Y194-S198 PolarHBondContact O-N 3.49Å; Y194-S198 PolarHBondContact O-OG 3.46Å; I195-S198 PolarHBondContact O-N 3.33Å; S198-K200 VanDerWaalsContact C-N 3.3Å; S198-K200 PolarHBondContact O-N 3.3Å; S198-T201 PolarHBondContact O-N 3.1Å; S198-T201 PolarHBondContact O-OG1 3.18Å; S198-L202 WeakPolarHBondContact O-CB 3.42Å; S198-L202 WeakPolarHBondContact O-CG 3.03Å; S198-L202 PolarHBondContact O-N 3.49Å
199M87.9Confident79.6Confident27 Ų2789.6 Ų89.613%0.13346%0.459CS..Hα-helixtrans-58.9-43.7176.6-170.2173.767.700111Y146 L153 I167 D180 I195 L197 C203Y146-M199 HydrophobicContact CE2-SD 4.34Å; L153-M199 HydrophobicContact CD2-CB 3.95Å; L153-M199 HydrophobicContact CD2-CG 4.38Å; I167-M199 HydrophobicContact CD1-CG 3.97Å; I167-M199 HydrophobicContact CD1-SD 4.04Å; I167-M199 HydrophobicContact CG1-SD 4.26Å; I167-M199 HydrophobicContact CG2-SD 4.5Å; D180-M199 VanDerWaalsContact OD1-CE 3.29Å; D180-M199 WeakPolarHBondContact OD1-CE 3.48Å; I195-M199 VanDerWaalsContact O-CB 3.32Å; I195-M199 WeakPolarHBondContact O-CB 3.22Å; I195-M199 PolarHBondContact O-N 3.46Å; L197-M199 VanDerWaalsContact C-N 3.35Å; L197-M199 PolarHBondContact O-N 2.86Å; M199-C203 WeakPolarHBondContact O-CB 3.45Å; M199-C203 PolarHBondContact O-N 3.29Å; M199-C203 VanDerWaalsContact O-N 3.11Å
200K87.4Confident77.8Confident166 Ų16694.2 Ų94.272%0.72248%0.482SS*.Hα-helixtrans-64.8-39.8179-174.8177.9179.4179.10112.9K196 L197 S198K196-K200 WeakPolarHBondContact O-CB 3.34Å; K196-K200 PolarHBondContact O-N 2.03Å; K196-K200 VanDerWaalsContact O-N 3.1Å; L197-K200 WeakPolarHBondContact O-CB 3.5Å; L197-K200 PolarHBondContact O-N 3.06Å; L197-K200 VanDerWaalsContact O-N 3.16Å; S198-K200 VanDerWaalsContact C-N 3.3Å; S198-K200 PolarHBondContact O-N 3.3Å
201T88.6Confident76.1Confident84 Ų8492.5 Ų92.552%0.51549%0.485SS..Hα-helixtrans-87.2-37.7-175.155.80000113L197 S198L197-T201 HydrophobicContact CD1-CG2 4.09Å; L197-T201 HydrophobicContact CG-CG2 4.49Å; L197-T201 WeakPolarHBondContact O-CG2 3.12Å; L197-T201 PolarHBondContact O-N 3.25Å; L197-T201 PolarHBondContact O-OG1 3.5Å; L197-T201 VanDerWaalsContact O-OG1 3.09Å; S198-T201 PolarHBondContact O-N 3.1Å; S198-T201 PolarHBondContact O-OG1 3.18Å
202L89Confident74.4Confident36 Ų3691.1 Ų91.119%0.18850%0.496CS..Hα-helixtrans-93.7-21.6-172-59.5174.6000113.4L153 R158 C159 S198L153-L202 HydrophobicContact CD1-CB 3.84Å; L153-L202 HydrophobicContact CD1-CD1 3.89Å; L153-L202 HydrophobicContact CD1-CG 4.44Å; R158-L202 HydrophobicContact CG-CD2 4.47Å; C159-L202 PolarHBondContact N-O 3.19Å; C159-L202 PolarHBondContact SG-O 3.41Å; S198-L202 WeakPolarHBondContact O-CB 3.42Å; S198-L202 WeakPolarHBondContact O-CG 3.03Å; S198-L202 PolarHBondContact O-N 3.49Å
203C87Confident72.3Confident20 Ų2094.8 Ų94.814%0.13552%0.522CS..SBendtrans-101.41.8174.6-54.60000113.8C159 I167 M199 E205C159-C203 HydrophobicContact CB-CB 3.69Å; C159-C203 WeakPolarHBondContact CB-SG 3.46Å; C159-C203 WeakPolarHBondContact SG-CA 3.49Å; C159-C203 WeakPolarHBondContact SG-CB 3.42Å; C159-C203 PolarHBondContact SG-N 3.33Å; C159-C203 CovalentContact SG-SG 2.01Å; C159-C203 PolarHBondContact SG-SG 3.09Å; I167-C203 HydrophobicContact CD1-CB 4.2Å; I167-C203 WeakPolarHBondContact CD1-SG 3.26Å; M199-C203 WeakPolarHBondContact O-CB 3.45Å; M199-C203 PolarHBondContact O-N 3.29Å; M199-C203 VanDerWaalsContact O-N 3.11Å; C203-E205 PolarHBondContact O-N 3.4Å
204A82.5Confident70.5Confident59 Ų5994.2 Ų94.249%0.48854%0.537SS..SBendtrans-53.2137.8171.900000109.5S206A204-S206 PolarHBondContact O-N 3.28Å
205E64.8Low68.4Low178 Ų17898.5 Ų98.583%0.83256%0.558SS**  trans-56.3115.7176.1-76.4179.7159.300108.5C203 G207C203-E205 PolarHBondContact O-N 3.4Å; E205-G207 PolarHBondContact O-N 3.45Å
206S56Low66.4Low99 Ų99100.2 Ų100.269%0.69259%0.585SS**  trans-71.564.8165.748.80000108.4A204A204-S206 PolarHBondContact O-N 3.28Å
207G50.2Low64.4Low53 Ų53104.8 Ų104.855%0.54661%0.613SS.*  trans-89.6121.4157.700000106.9E205E205-G207 PolarHBondContact O-N 3.45Å
208D45.5Very low62.5Low155 Ų155105.4 Ų105.483%0.82963%0.626SS**SBendtrans92.6116.3175.6-51-28.8000117
209R48.4Very low60.8Low234 Ų234114 Ų11488%0.88367%0.665SS**  trans100.137169.9-51.6-165.3172.5102.40.5118.1A211R209-A211 PolarHBondContact O-N 3.38Å
210F46.3Very low59Low217 Ų217121.1 Ų121.195%0.95270%0.698SS**  trans-82.272.3132.8-160.5-93.7000108.5
211A49.5Very low57.4Low80 Ų80119.9 Ų119.966%0.66170%0.7SS**  trans-114.986.6158.300000104.8R209 S213R209-A211 PolarHBondContact O-N 3.38Å; A211-S213 PolarHBondContact O-N 3.33Å
212G52.7Low55.9Low74 Ų74121.9 Ų121.976%0.76371%0.712SS**  trans-62.4113.6161.200000107.6
213S46.1Very low54.2Low104 Ų104128.7 Ų128.773%0.72774%0.74SS**  trans-122.588.4161.141.60000106.4A211A211-S213 PolarHBondContact O-N 3.33Å
214G53.7Low52.5Low67 Ų67136.3 Ų136.369%0.69177%0.773SS**  trans-79.4119.1155.900000108.2
215F44.7Very low51.1Low202 Ų202141.3 Ų141.389%0.88679%0.792SS**  trans-157.5113.7156.7-70.8-73.3000102.3
216G48.4Very low50.2Low75 Ų75144.6 Ų144.677%0.77382%0.815SS**  108.3107.751.800000105.4
217D45.8Very low49.9Very low153 Ų153146.9 Ų146.982%0.81882%0.821SS**  trans-41.5143.8-177.3-75-43.4000114.7
218S49Very low49.9Very low121 Ų121151.8 Ų151.885%0.84684%0.836SS**  trans-153.589.4146.1-61.10000107.6
219E53.4Low50.1Low190 Ų190151.6 Ų151.689%0.88884%0.836SS**  trans-68.1122.5154.9-63.6-175.4151.100107.3
220E50.9Low50.2Low177 Ų177146.8 Ų146.883%0.82783%0.833SS**  trans-140.595.5155.4-155.8166.7-17200108.5
221D53.8Low50.5Low140 Ų140142.4 Ų142.475%0.74983%0.826SS**  trans-62.3118.7161.8-110.1-24.9000108.5
222T55.3Low50.5Low126 Ų126146.5 Ų146.577%0.77384%0.837SS**  trans-123.9105.7154.649.80000109
223K53.9Low50.4Low179 Ų179151.7 Ų151.778%0.77884%0.842SS**  trans-71148.7170.4-66.1174.9180166.80110.4
224E52.7Low50.7Low180 Ų180155.4 Ų155.484%0.84185%0.851SS**  trans-51.7144.9162.6-65.9165.8143.200111.4
225D52.6Low50.5Low164 Ų164162.8 Ų162.888%0.87786%0.864SS**  trans-179.8141.9133-84.5-28.7000111.9
226D45.1Very low51Low246 Ų246159.2 Ų159.2100%1.31686%0.862SS**  trans78.80176.5-75.6-40.1000121.1

Retrieved 226 of 226 residues in 50.3 ms (Link to these results)