A0A077YY74_TRITR Loading...

Large ribosomal subunit protein eL39

AlphaFold DB , UniProt , Accession A0A077YY74, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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
1M43.5Very low53.3Low225 Ų225151.1 Ų151.1100%1.10871%0.711SS**  072.20-67.4-168.7-178.300110.5
2L50.1Low53.5Low165 Ų165152.8 Ų152.886%0.86473%0.728SS**  trans-99.786.9176.5-64.5173.8000107.8T4L2-T4 VanDerWaalsContact C-N 3.25Å; L2-T4 PolarHBondContact O-N 3.36Å
3Y51Low53.5Low190 Ų190148.3 Ų148.375%0.74572%0.721SS**  trans-64.395.5166-81.8-85.4000107.5
4T58Low53.9Low70 Ų70154.9 Ų154.943%0.42973%0.734SS.*  trans-63.2133.3175.153.20000108.3L2 I6 L7L2-T4 VanDerWaalsContact C-N 3.25Å; L2-T4 PolarHBondContact O-N 3.36Å; T4-I6 PolarHBondContact O-N 3.03Å; T4-L7 PolarHBondContact O-N 2.98Å
5P57.5Low54.1Low89 Ų89159.4 Ų159.458%0.57874%0.741SS**THydrogen-bonded Turntrans-64.9-0.5-175.324.4-32.9000113.9L8P5-L8 PolarHBondContact O-N 3.42Å
6I59.2Low54.7Low136 Ų136156.6 Ų156.670%0.69773%0.732SS**THydrogen-bonded Turntrans-66.1-37.4174.7-65.3160.3000111T4 L8T4-I6 PolarHBondContact O-N 3.03Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.22Å
7L52.4Low55.8Low123 Ų123155.3 Ų155.364%0.64473%0.73SS**G310 helixtrans-73.5-21.2178.7-75.2168.5000113.3T4T4-L7 PolarHBondContact O-N 2.98Å
8L51.7Low57Low78 Ų78152.7 Ų152.741%0.40873%0.729SS.*G310 helixtrans-87.6-8.4-177.9-68169.8000113.9P5 I6 R10 Y11 I16P5-L8 PolarHBondContact O-N 3.42Å; I6-L8 VanDerWaalsContact C-N 3.3Å; I6-L8 PolarHBondContact O-N 3.22Å; L8-R10 PolarHBondContact O-N 3.34Å; L8-R10 VanDerWaalsContact O-N 3.15Å; L8-Y11 PolarHBondContact O-N 3.02Å; L8-I16 HydrophobicContact CB-CD1 4.29Å; L8-I16 HydrophobicContact CD1-CD1 4.48Å
9K53.6Low58.1Low189 Ų189151.5 Ų151.582%0.82272%0.72SS**G310 helixtrans-60.5-20.7172.5-101.8-178.2178.7176.20113.5Y11K9-Y11 VanDerWaalsContact C-N 3.35Å
10R55.2Low59.3Low237 Ų237152.2 Ų152.289%0.89472%0.723SS**G310 helixtrans-78-20.6-179.2-132.9179.7-176-1700.5113.2L8L8-R10 PolarHBondContact O-N 3.34Å; L8-R10 VanDerWaalsContact O-N 3.15Å
11Y54.5Low60.4Low160 Ų160155 Ų15563%0.62773%0.726SS**SBendtrans-97.3121.5171.7-61.8-82.3000107.4L8 K9 C13L8-Y11 PolarHBondContact O-N 3.02Å; K9-Y11 VanDerWaalsContact C-N 3.35Å; Y11-C13 PolarHBondContact O-N 2.04Å
12N55.7Low62.4Low171 Ų171151.6 Ų151.691%0.91470%0.702SS**  trans-63.733173-93.8-26.7000112.9R14N12-R14 PolarHBondContact O-N 3.46Å
13C53.7Low64.2Low95 Ų95151 Ų15164%0.64269%0.693SS**  trans-72.6123.7179.4-69.20000108.7Y11Y11-C13 PolarHBondContact O-N 2.04Å
14R58.2Low65.8Low240 Ų240147.9 Ų147.991%0.90668%0.683SS**SBendtrans-42.5144.6171.9-61.7172-170.7-154.62.3109.9N12 I16N12-R14 PolarHBondContact O-N 3.46Å; R14-I16 PolarHBondContact O-N 3.22Å
15R56.8Low66.9Low223 Ų223150.1 Ų150.184%0.84269%0.689SS**  trans-21.4117.6-178.8-95.2-179.7-133.8-138.1-3.2113.5L17R15-L17 PolarHBondContact O-N 2.95Å
16I63.9Low68.2Low115 Ų115153.4 Ų153.459%0.5970%0.701SS**SBendtrans-64-28.3-179.7-63.2142.4000112.1L8 R14L8-I16 HydrophobicContact CB-CD1 4.29Å; L8-I16 HydrophobicContact CD1-CD1 4.48Å; R14-I16 PolarHBondContact O-N 3.22Å
17L73.7Confident69.2Low134 Ų134152 Ų15270%0.70269%0.694SS**SBendtrans-92136.5176.8-63.6173.6000110.6R15 K19R15-L17 PolarHBondContact O-N 2.95Å; L17-K19 PolarHBondContact O-N 3.23Å
18P77.4Confident70.6Confident108 Ų108149.2 Ų149.270%0.70168%0.684SS**  trans-53.8138.5170.523.6-31.4000109E20P18-E20 PolarHBondContact O-N 3.16Å
19K77Confident72.1Confident131 Ų131152.3 Ų152.357%0.5770%0.698SS**  trans-68104.2178.2-175.8-178177.3-165.70108.2L17 W21L17-K19 PolarHBondContact O-N 3.23Å; K19-W21 HydrophobicContact CD-CZ2 3.9Å; K19-W21 VanDerWaalsContact NZ-CZ2 3.29Å; K19-W21 PolarHBondContact O-N 3.18Å
20E83.4Confident73.6Confident165 Ų165146.2 Ų146.277%0.77168%0.676SS**  trans-64.4119.9172.3-67.7175.6-177.900109.5P18P18-E20 PolarHBondContact O-N 3.16Å
21W81.2Confident75Confident211 Ų211141.7 Ų141.780%0.79967%0.669SS**  trans-97.997.7171.2-65.391.7000107.7K19K19-W21 HydrophobicContact CD-CZ2 3.9Å; K19-W21 VanDerWaalsContact NZ-CZ2 3.29Å; K19-W21 PolarHBondContact O-N 3.18Å
22Y85.7Confident76.4Confident154 Ų154135.9 Ų135.960%0.60466%0.658SS**  trans-90.5141.3162.956.7-84.9000108.8K24Y22-K24 HydrophobicContact CD2-CG 3.73Å; Y22-K24 HydrophobicContact CE2-CD 3.93Å; Y22-K24 HydrophobicContact CE2-CG 3.43Å; Y22-K24 VanDerWaalsContact CE2-CG 3.43Å; Y22-K24 PolarHBondContact O-N 3.39Å; Y22-K24 WeakPolarHBondContact OH-CE 3.46Å; Y22-K24 PolarHBondContact OH-NZ 2.85Å
23F87.9Confident77.8Confident152 Ų152129 Ų12967%0.66762%0.621SS**  trans-61.7124170.3178.2-111.7000108.8E25 M29F23-E25 HydrophobicContact CD1-CG 3.99Å; F23-E25 HydrophobicContact CE1-CB 4.47Å; F23-E25 HydrophobicContact CE1-CG 3.45Å; F23-E25 VanDerWaalsContact CE1-CG 3.45Å; F23-E25 HydrophobicContact CZ-CG 4.34Å; F23-M29 HydrophobicContact CE1-CG 4.28Å; F23-M29 HydrophobicContact CE1-SD 4.21Å; F23-M29 HydrophobicContact CZ-SD 4.19Å
24K84.3Confident79.5Confident124 Ų124131.3 Ų131.354%0.53962%0.62SS.*  trans-100.8114.9172-70.9-178.7177-173.40107.7Y22 L26Y22-K24 HydrophobicContact CD2-CG 3.73Å; Y22-K24 HydrophobicContact CE2-CD 3.93Å; Y22-K24 HydrophobicContact CE2-CG 3.43Å; Y22-K24 VanDerWaalsContact CE2-CG 3.43Å; Y22-K24 PolarHBondContact O-N 3.39Å; Y22-K24 WeakPolarHBondContact OH-CE 3.46Å; Y22-K24 PolarHBondContact OH-NZ 2.85Å; K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.47Å
25E82.7Confident80.9Confident118 Ų118123.2 Ų123.255%0.55160%0.597SS**  trans-64.594169.6-75.4-172.8-157.400109.9F23 L27 M29F23-E25 HydrophobicContact CD1-CG 3.99Å; F23-E25 HydrophobicContact CE1-CB 4.47Å; F23-E25 HydrophobicContact CE1-CG 3.45Å; F23-E25 VanDerWaalsContact CE1-CG 3.45Å; F23-E25 HydrophobicContact CZ-CG 4.34Å; E25-L27 VanDerWaalsContact C-N 3.28Å; E25-M29 VanDerWaalsContact CD-CG 3.48Å; E25-M29 HydrophobicContact CG-CG 3.87Å; E25-M29 WeakPolarHBondContact OE1-CG 3.36Å; E25-M29 PolarHBondContact OE2-N 3.28Å
26L84.9Confident82.3Confident158 Ų158117.3 Ų117.383%0.82759%0.59SS**SBendtrans-72.3-29.1172.1-65.6177.1000111.4K24K24-L26 VanDerWaalsContact C-N 3.34Å; K24-L26 PolarHBondContact O-N 3.47Å
27L79.2Confident82.9Confident105 Ų105114.7 Ų114.755%0.5559%0.586SS.*SBendtrans-124.8145.5170.3-75.581.9000107E25 M29E25-L27 VanDerWaalsContact C-N 3.28Å; L27-M29 PolarHBondContact O-N 3.25Å
28P82.7Confident82.8Confident66 Ų66116.9 Ų116.943%0.42959%0.59SS.*  trans-60137.6174.727.1-34.5000109.5T30P28-T30 HydrophobicContact CB-CG2 4.12Å; P28-T30 PolarHBondContact O-N 3.33Å
29M83.1Confident82.4Confident143 Ų143116.8 Ų116.870%0.70459%0.591SS**SBendtrans-73.348.9175.5-70-71.4-71.600111.9F23 E25 L27F23-M29 HydrophobicContact CE1-CG 4.28Å; F23-M29 HydrophobicContact CE1-SD 4.21Å; F23-M29 HydrophobicContact CZ-SD 4.19Å; E25-M29 VanDerWaalsContact CD-CG 3.48Å; E25-M29 HydrophobicContact CG-CG 3.87Å; E25-M29 WeakPolarHBondContact OE1-CG 3.36Å; E25-M29 PolarHBondContact OE2-N 3.28Å; L27-M29 PolarHBondContact O-N 3.25Å
30T83.8Confident82.2Confident60 Ų60114.6 Ų114.637%0.36858%0.583SS.*  trans-108.8143.9-179.356.60000109.7P28 G121P28-T30 HydrophobicContact CB-CG2 4.12Å; P28-T30 PolarHBondContact O-N 3.33Å; T30-G121 PolarHBondContact OG1-O 3.36Å; T30-G121 VanDerWaalsContact OG1-O 3.05Å
31L85.5Confident81.6Confident142 Ų142117.7 Ų117.774%0.74359%0.588SS**  trans-59.1156.2172.9-76151.4000111H119L31-H119 WeakPolarHBondContact CB-NE2 3.33Å; L31-H119 PolarHBondContact O-CE1 2.98Å; L31-H119 PolarHBondContact O-NE2 3.25Å; L31-H119 VanDerWaalsContact O-NE2 3.14Å
32G82.8Confident81.4Confident38 Ų38109.8 Ų109.839%0.39256%0.563SS.*  trans-81.4157.1171.900000110.4K34G32-K34 PolarHBondContact O-N 3.16Å
33N86.3Confident81.2Confident26 Ų26113.5 Ų113.514%0.13958%0.575CS.*SBendtrans-76.431.4175.6-151.529.8000113.9L114 P118 A122N33-L114 PolarHBondContact ND2-O 3.2Å; N33-L114 WeakPolarHBondContact OD1-CB 3.47Å; N33-L114 PolarHBondContact OD1-O 2.76Å; N33-P118 WeakPolarHBondContact ND2-CB 3.46Å; N33-A122 HydrophobicContact CB-CB 3.77Å
34K88.2Confident80.9Confident144 Ų144112.5 Ų112.563%0.62657%0.573SS**SBendtrans-156.5140179.663.3178.2-176.9179.40110.1G32 N111G32-K34 PolarHBondContact O-N 3.16Å; K34-N111 WeakPolarHBondContact CA-OD1 3.31Å
35V88.5Confident80.9Confident70 Ų70113.4 Ų113.442%0.42458%0.577SS.*  trans-94.8132.9167179.90000108.2A37 V110 N111 L114V35-A37 PolarHBondContact O-N 3.03Å; V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG2-CG1 3.78Å; V35-N111 PolarHBondContact N-OD1 3.31Å; V35-N111 PolarHBondContact O-ND2 3.07Å; V35-N111 PolarHBondContact O-OD1 3.16Å; V35-L114 HydrophobicContact CG2-CD1 3.78Å
36S85.3Confident81.2Confident100 Ų100112.3 Ų112.370%0.69958%0.578SS**  trans-61.9131.9173.3-168.70000109.5K38S36-K38 PolarHBondContact O-N 3.27Å
37A77.1Confident81.6Confident60 Ų60105.4 Ų105.450%0.49654%0.543SS..  trans-66.597.4171.200000108.5V35 F107V35-A37 PolarHBondContact O-N 3.03Å; A37-F107 HydrophobicContact CB-CD1 4.34Å; A37-F107 HydrophobicContact CB-CD2 3.58Å; A37-F107 HydrophobicContact CB-CE1 4.43Å; A37-F107 HydrophobicContact CB-CE2 3.67Å; A37-F107 HydrophobicContact CB-CG 3.97Å; A37-F107 HydrophobicContact CB-CZ 4.12Å
38K72Confident82.3Confident180 Ų180105.9 Ų105.978%0.78355%0.545SS*.  trans-68.7154.1156.7-74.2-174.7177.1179.80107.5S36 E40S36-K38 PolarHBondContact O-N 3.27Å; K38-E40 PolarHBondContact O-N 3.29Å
39S69.5Low82.9Confident105 Ų105108.7 Ų108.773%0.73455%0.553SS**  trans-56.9105.7177.247.30000109.7R41S39-R41 PolarHBondContact O-N 3.45Å
40E71.5Confident83.5Confident85 Ų85103.8 Ų103.840%0.39753%0.528SS..  trans-67.9105.9170-166.695.7-126.100105.9K38 V42 V93 T106 F107K38-E40 PolarHBondContact O-N 3.29Å; E40-V42 PolarHBondContact O-N 3.49Å; E40-V93 HydrophobicContact CB-CG1 4.42Å; E40-V93 HydrophobicContact CG-CG1 4.14Å; E40-T106 WeakPolarHBondContact OE2-CA 3.48Å; E40-T106 WeakPolarHBondContact OE2-CB 3.31Å; E40-F107 HydrophobicContact CB-CD1 3.91Å; E40-F107 HydrophobicContact CB-CE1 3.7Å; E40-F107 HydrophobicContact CG-CD1 4.48Å; E40-F107 HydrophobicContact CG-CE1 4.45Å; E40-F107 WeakPolarHBondContact OE2-CD1 3.04Å; E40-F107 PolarHBondContact OE2-N 3.2Å; E40-F107 VanDerWaalsContact OE2-N 3.11Å
41R72.3Confident84Confident230 Ų230103.8 Ų103.887%0.86853%0.525SS*.  trans-7391.9-177-67.9-177.1179.6175-1.9108.8S39 R43S39-R41 PolarHBondContact O-N 3.45Å; R41-R43 PolarHBondContact O-N 3.33Å
42V77.2Confident84.5Confident45 Ų45100 Ų10027%0.27351%0.51SS..  trans-73.3120.5161.7-173.50000106.5E40 E44 M86 L89 V93E40-V42 PolarHBondContact O-N 3.49Å; V42-E44 PolarHBondContact O-N 2.93Å; V42-E44 VanDerWaalsContact O-N 3.15Å; V42-M86 HydrophobicContact CB-CE 3.92Å; V42-M86 HydrophobicContact CG1-CE 3.58Å; V42-M86 HydrophobicContact CG1-SD 3.99Å; V42-L89 HydrophobicContact CG1-CB 4.48Å; V42-L89 HydrophobicContact CG1-CD1 4.21Å; V42-V93 HydrophobicContact CG2-CG2 4.33Å
43R80.7Confident85.1Confident232 Ų232101.3 Ų101.388%0.87551%0.508SS*.  trans-66.7114.3174.7-73.5-174.9174.4-174.5-2.2108.2R41 K45R41-R43 PolarHBondContact O-N 3.33Å; R43-K45 PolarHBondContact O-N 2.93Å
44E81.4Confident85.6Confident131 Ų131100.9 Ų100.961%0.61251%0.506SS*.  trans-67.1126.7173.4-74.4176.8179.800109V42 M86 K90V42-E44 PolarHBondContact O-N 2.93Å; V42-E44 VanDerWaalsContact O-N 3.15Å; E44-M86 HydrophobicContact CB-CE 4.47Å; E44-M86 HydrophobicContact CB-SD 4.47Å; E44-M86 HydrophobicContact CG-CE 3.48Å; E44-M86 VanDerWaalsContact CG-CE 3.48Å; E44-M86 HydrophobicContact CG-CG 4.45Å; E44-M86 HydrophobicContact CG-SD 4.03Å; E44-K90 IonicContact OE1-NZ 3.94Å
45K83.8Confident85.9Confident143 Ų14398.7 Ų98.762%0.62250%0.501SS*.  trans-75.4124.3169.3-69.8-178.1177.7-177.80107.7R43 E82R43-K45 PolarHBondContact O-N 2.93Å; K45-E82 HydrophobicContact CB-CG 4.25Å; K45-E82 WeakPolarHBondContact CD-OE1 3.2Å; K45-E82 WeakPolarHBondContact CD-OE2 3.31Å
46V89.3Confident86.3Confident96 Ų9697.7 Ų97.758%0.58250%0.5SS*.  trans-104.1135.2178.1-176.90000108.2L48V46-L48 HydrophobicContact CB-CD2 4.23Å; V46-L48 HydrophobicContact CB-CG 4.05Å; V46-L48 HydrophobicContact CG1-CD2 3.63Å; V46-L48 HydrophobicContact CG1-CG 3.92Å; V46-L48 PolarHBondContact O-N 3.49Å
47C94.2Very high86.8Confident12 Ų1294.3 Ų94.38%0.08148%0.476CS..  trans-72.755.6177.2-64.40000112.3H49 L51 F75 C78 F79C47-H49 VanDerWaalsContact C-N 3.33Å; C47-H49 PolarHBondContact O-N 3.44Å; C47-L51 VanDerWaalsContact O-CB 3.28Å; C47-L51 WeakPolarHBondContact O-CB 3.44Å; C47-L51 PolarHBondContact O-N 3.04Å; C47-F75 HydrophobicContact CB-CD2 4.27Å; C47-F75 HydrophobicContact CB-CE2 4.2Å; C47-C78 HydrophobicContact CB-CB 3.84Å; C47-C78 WeakPolarHBondContact CB-SG 3.35Å; C47-C78 WeakPolarHBondContact SG-CB 3.35Å; C47-C78 PolarHBondContact SG-O 3.23Å; C47-C78 CovalentContact SG-SG 2.04Å; C47-C78 PolarHBondContact SG-SG 3.45Å; C47-F79 PolarHBondContact SG-N 2.91Å
48L93.3Very high87.7Confident115 Ų11592.3 Ų92.360%0.60246%0.456SS*.Hα-helixtrans-64-36.8-174.6-66.7177.2000112.6V46 L51 S52V46-L48 HydrophobicContact CB-CD2 4.23Å; V46-L48 HydrophobicContact CB-CG 4.05Å; V46-L48 HydrophobicContact CG1-CD2 3.63Å; V46-L48 HydrophobicContact CG1-CG 3.92Å; V46-L48 PolarHBondContact O-N 3.49Å; L48-L51 PolarHBondContact O-N 2.92Å; L48-S52 WeakPolarHBondContact O-CB 3.4Å; L48-S52 PolarHBondContact O-N 2.89Å; L48-S52 PolarHBondContact O-OG 3.23Å
49H95.6Very high88.8Confident126 Ų12691.9 Ų91.958%0.58346%0.455SS*.Hα-helixtrans-62.9-55.6180-176.263.6000111.3C47 L51 S52 L53C47-H49 VanDerWaalsContact C-N 3.33Å; C47-H49 PolarHBondContact O-N 3.44Å; H49-L51 VanDerWaalsContact C-N 3.26Å; H49-L51 PolarHBondContact O-N 3.33Å; H49-S52 PolarHBondContact O-N 2.85Å; H49-S52 PolarHBondContact O-OG 2.98Å; H49-L53 PolarHBondContact O-N 3.4Å; H49-L53 VanDerWaalsContact O-N 3.15Å
50E95.4Very high90Very high40 Ų4095.4 Ų95.419%0.18746%0.457CS..Hα-helixtrans-60.1-37.8177-51-55.5160.300111.9S52 L53 L54 N74 F75 C78E50-S52 VanDerWaalsContact C-N 3.32Å; E50-S52 PolarHBondContact O-N 2.95Å; E50-L53 PolarHBondContact O-N 3.08Å; E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.45Å; E50-N74 WeakPolarHBondContact OE2-CB 3.37Å; E50-F75 HydrophobicContact CB-CB 4.07Å; E50-F75 HydrophobicContact CB-CD2 4.15Å; E50-C78 HydrophobicContact CG-CB 3.84Å
51L94.9Very high91Very high59 Ų5993.1 Ų93.131%0.30945%0.449SS..Hα-helixtrans-62.8-40175.5-176.464.2000111.7C47 L48 H49 L54 L55 F75C47-L51 VanDerWaalsContact O-CB 3.28Å; C47-L51 WeakPolarHBondContact O-CB 3.44Å; C47-L51 PolarHBondContact O-N 3.04Å; L48-L51 PolarHBondContact O-N 2.92Å; H49-L51 VanDerWaalsContact C-N 3.26Å; H49-L51 PolarHBondContact O-N 3.33Å; L51-L54 PolarHBondContact O-N 3.44Å; L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CD1-CG 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.1Å; L51-L55 WeakPolarHBondContact O-CB 3.38Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.45Å; L51-F75 HydrophobicContact CB-CD2 4.2Å; L51-F75 HydrophobicContact CB-CE2 4.04Å; L51-F75 HydrophobicContact CD1-CD2 4.5Å; L51-F75 HydrophobicContact CD1-CE2 4.05Å; L51-F75 HydrophobicContact CD1-CZ 4.48Å
52S95.7Very high91.8Very high62 Ų6290.4 Ų90.443%0.43445%0.446SS..Hα-helixtrans-67.7-38.4179.670.90000112.6L48 H49 E50 A56L48-S52 WeakPolarHBondContact O-CB 3.4Å; L48-S52 PolarHBondContact O-N 2.89Å; L48-S52 PolarHBondContact O-OG 3.23Å; H49-S52 PolarHBondContact O-N 2.85Å; H49-S52 PolarHBondContact O-OG 2.98Å; E50-S52 VanDerWaalsContact C-N 3.32Å; E50-S52 PolarHBondContact O-N 2.95Å; S52-A56 WeakPolarHBondContact O-CB 3.26Å; S52-A56 PolarHBondContact O-N 3.41Å
53L95.6Very high92.4Very high66 Ų6695.3 Ų95.335%0.34646%0.464SS..Hα-helixtrans-66.9-44.1175-64.6176.2000111.4H49 E50 L55 A56 C57H49-L53 PolarHBondContact O-N 3.4Å; H49-L53 VanDerWaalsContact O-N 3.15Å; E50-L53 PolarHBondContact O-N 3.08Å; L53-L55 PolarHBondContact O-N 2.04Å; L53-A56 PolarHBondContact O-N 3.02Å; L53-C57 PolarHBondContact O-N 3.31Å
54L95.3Very high92.8Very high18 Ų1889.1 Ų89.19%0.09445%0.448CS..Hα-helixtrans-59-47.1175.8179.263.2000111.8E50 L51 A56 C57 L58 C68 E71 V72 F75E50-L54 WeakPolarHBondContact O-CB 3.48Å; E50-L54 PolarHBondContact O-N 3.45Å; L51-L54 PolarHBondContact O-N 3.44Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.42Å; L54-C57 PolarHBondContact O-N 2.98Å; L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.39Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.15Å; L54-C68 HydrophobicContact CD1-CB 4.21Å; L54-E71 HydrophobicContact CB-CB 4.14Å; L54-E71 HydrophobicContact CD1-CB 3.8Å; L54-V72 HydrophobicContact CD1-CB 4.47Å; L54-V72 HydrophobicContact CD1-CG2 3.53Å; L54-F75 HydrophobicContact CD2-CB 4.38Å; L54-F75 HydrophobicContact CD2-CD1 4.49Å; L54-F75 HydrophobicContact CD2-CG 4.35Å
55L95.4Very high92.9Very high98 Ų9887.9 Ų87.951%0.51345%0.446SS..Hα-helixtrans-64.8-36.8177.7-70.5173000112.2L51 L53 C57 K59L51-L55 HydrophobicContact CD1-CD1 4.4Å; L51-L55 HydrophobicContact CD1-CG 4.41Å; L51-L55 HydrophobicContact CG-CD1 4.1Å; L51-L55 WeakPolarHBondContact O-CB 3.38Å; L51-L55 VanDerWaalsContact O-CG 3.22Å; L51-L55 WeakPolarHBondContact O-CG 3.38Å; L51-L55 PolarHBondContact O-N 3.45Å; L53-L55 PolarHBondContact O-N 2.04Å; L55-C57 VanDerWaalsContact C-N 3.33Å; L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 PolarHBondContact O-N 2.98Å
56A96.3Very high93.1Very high49 Ų4989.3 Ų89.341%0.40546%0.455SS..Hα-helixtrans-65.4-36.6175.200000112.1S52 L53 L54 K60S52-A56 WeakPolarHBondContact O-CB 3.26Å; S52-A56 PolarHBondContact O-N 3.41Å; L53-A56 PolarHBondContact O-N 3.02Å; L54-A56 VanDerWaalsContact C-N 3.32Å; L54-A56 PolarHBondContact O-N 3.42Å; A56-K60 WeakPolarHBondContact O-CG 3.22Å
57C96.5Very high93.2Very high29 Ų2991.2 Ų91.220%0.19646%0.457CS..Hα-helixtrans-67.5-51.2174.1-176.70000111.2L53 L54 L55 K59 K60 T61 C68 E71L53-C57 PolarHBondContact O-N 3.31Å; L54-C57 PolarHBondContact O-N 2.98Å; L55-C57 VanDerWaalsContact C-N 3.33Å; C57-K59 VanDerWaalsContact C-N 3.28Å; C57-K59 PolarHBondContact O-N 2.95Å; C57-K60 WeakPolarHBondContact O-CA 3.35Å; C57-K60 WeakPolarHBondContact O-CB 3.37Å; C57-K60 PolarHBondContact O-N 3.45Å; C57-T61 PolarHBondContact O-N 3Å; C57-T61 PolarHBondContact O-OG1 3.22Å; C57-C68 HydrophobicContact CB-CB 3.93Å; C57-C68 WeakPolarHBondContact CB-SG 3.04Å; C57-C68 VanDerWaalsContact SG-CA 3.59Å; C57-C68 WeakPolarHBondContact SG-CB 3.42Å; C57-C68 CovalentContact SG-SG 2.04Å; C57-C68 PolarHBondContact SG-SG 3.48Å; C57-E71 HydrophobicContact CB-CG 4.11Å
58L95.9Very high93.1Very high17 Ų1790.8 Ų90.89%0.08945%0.454CS..Hα-helixtrans-60.6-36.5-179-70.3173.8000112.8L54 K60 T61 E62 F63 N65 C68L54-L58 HydrophobicContact CD1-CD1 4.3Å; L54-L58 HydrophobicContact CD1-CG 4.39Å; L54-L58 HydrophobicContact CG-CD1 4.14Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 3.15Å; L58-K60 PolarHBondContact O-N 3Å; L58-T61 PolarHBondContact O-N 3.19Å; L58-E62 PolarHBondContact O-N 3.28Å; L58-F63 HydrophobicContact CB-CD1 4.2Å; L58-F63 PolarHBondContact O-N 2.92Å; L58-N65 WeakPolarHBondContact CD2-OD1 3.04Å; L58-C68 HydrophobicContact CD2-CB 4.36Å
59K95.6Very high93.2Very high171 Ų17190 Ų9074%0.74345%0.454SS*.Hα-helixtrans-60.6-30.4174.8-174.4178.3179.2-177.40112.4L55 C57L55-K59 WeakPolarHBondContact O-CB 3.45Å; L55-K59 PolarHBondContact O-N 2.98Å; C57-K59 VanDerWaalsContact C-N 3.28Å; C57-K59 PolarHBondContact O-N 2.95Å
60K94.1Very high93.1Very high180 Ų18086.8 Ų86.878%0.78345%0.449SS*.Hα-helixtrans-82.7-24.5178.4-65.6174.1-176.41790112.7A56 C57 L58A56-K60 WeakPolarHBondContact O-CG 3.22Å; C57-K60 WeakPolarHBondContact O-CA 3.35Å; C57-K60 WeakPolarHBondContact O-CB 3.37Å; C57-K60 PolarHBondContact O-N 3.45Å; L58-K60 PolarHBondContact O-N 3Å
61T92.1Very high93.1Very high37 Ų3787.3 Ų87.323%0.22745%0.452CS..THydrogen-bonded Turntrans-111.126.4-172.464.30000112.9C57 L58 F63 D64 Q67C57-T61 PolarHBondContact O-N 3Å; C57-T61 PolarHBondContact O-OG1 3.22Å; L58-T61 PolarHBondContact O-N 3.19Å; T61-F63 PolarHBondContact O-N 3.26Å; T61-D64 PolarHBondContact O-N 2.65Å; T61-D64 VanDerWaalsContact O-N 3.08Å; T61-Q67 HydrophobicContact CG2-CB 3.69Å; T61-Q67 HydrophobicContact CG2-CG 4.31Å
62E90.7Very high93.2Very high173 Ų17386.5 Ų86.581%0.80845%0.45SS*.THydrogen-bonded Turntrans50.934-179.4-59.5-177.6177.500113.7L58 D64L58-E62 PolarHBondContact O-N 3.28Å; E62-D64 VanDerWaalsContact C-N 3.33Å; E62-D64 PolarHBondContact O-N 3.04Å
63F89.4Confident93.2Very high148 Ų14889.9 Ų89.965%0.64946%0.456SS*.THydrogen-bonded Turntrans69.617.4178.4-50.5-87.6000116.4L58 T61 N65L58-F63 HydrophobicContact CB-CD1 4.2Å; L58-F63 PolarHBondContact O-N 2.92Å; T61-F63 PolarHBondContact O-N 3.26Å; F63-N65 PolarHBondContact O-N 3.48Å
64D87.8Confident93.2Very high101 Ų10190.1 Ų90.154%0.5446%0.458SS..  trans-76.1109.2169.8-81.1-30.4000112.2T61 E62 Q66 Q67T61-D64 PolarHBondContact O-N 2.65Å; T61-D64 VanDerWaalsContact O-N 3.08Å; E62-D64 VanDerWaalsContact C-N 3.33Å; E62-D64 PolarHBondContact O-N 3.04Å; D64-Q66 PolarHBondContact O-N 2.9Å; D64-Q66 VanDerWaalsContact O-N 3.16Å; D64-Q67 HydrophobicContact CB-CG 4.36Å; D64-Q67 PolarHBondContact O-N 3.43Å
65N83.9Confident93.2Very high106 Ų10691.7 Ų91.757%0.56746%0.464SS*.G310 helixtrans-59.5-27178.6-70.1-31.2000113.8L58 F63 Q67 C68L58-N65 WeakPolarHBondContact CD2-OD1 3.04Å; F63-N65 PolarHBondContact O-N 3.48Å; N65-Q67 PolarHBondContact O-N 2.89Å; N65-C68 PolarHBondContact O-N 3.2Å
66Q89.1Confident93.3Very high173 Ų17390.6 Ų90.681%0.80846%0.459SS*.G310 helixtrans-66.7-25.4-177-63.7-173.23.800112.9D64 T69D64-Q66 PolarHBondContact O-N 2.9Å; D64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-T69 WeakPolarHBondContact O-CG2 3.42Å
67Q89.8Confident93.2Very high135 Ų13591.9 Ų91.963%0.63146%0.459SS*.G310 helixtrans-81.1-21178.4-61-63.3-15.300112.5T61 D64 N65T61-Q67 HydrophobicContact CG2-CB 3.69Å; T61-Q67 HydrophobicContact CG2-CG 4.31Å; D64-Q67 HydrophobicContact CB-CG 4.36Å; D64-Q67 PolarHBondContact O-N 3.43Å; N65-Q67 PolarHBondContact O-N 2.89Å
68C93.4Very high93.2Very high3 Ų391.2 Ų91.22%0.0245%0.454CS..G310 helixtrans-107.139-174.2-60.70000113L54 C57 L58 N65 A70 E71 V72L54-C68 HydrophobicContact CD1-CB 4.21Å; C57-C68 HydrophobicContact CB-CB 3.93Å; C57-C68 WeakPolarHBondContact CB-SG 3.04Å; C57-C68 VanDerWaalsContact SG-CA 3.59Å; C57-C68 WeakPolarHBondContact SG-CB 3.42Å; C57-C68 CovalentContact SG-SG 2.04Å; C57-C68 PolarHBondContact SG-SG 3.48Å; L58-C68 HydrophobicContact CD2-CB 4.36Å; N65-C68 PolarHBondContact O-N 3.2Å; C68-A70 PolarHBondContact O-N 3.24Å; C68-E71 PolarHBondContact O-N 3.02Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.37Å; C68-V72 PolarHBondContact O-N 3.39Å
69T94.3Very high93.2Very high98 Ų9895.4 Ų95.460%0.60147%0.472SS*.Hα-helixtrans-60.7-39.4-173.450.30000114.2Q66 K73Q66-T69 WeakPolarHBondContact O-CG2 3.42Å; T69-K73 WeakPolarHBondContact O-CB 3.49Å; T69-K73 PolarHBondContact O-N 3.08Å
70A94.2Very high93.3Very high59 Ų5990.8 Ų90.849%0.48846%0.458SS..Hα-helixtrans-64.3-47178.500000111.9C68 K73 N74C68-A70 PolarHBondContact O-N 3.24Å; A70-K73 PolarHBondContact O-N 3.49Å; A70-N74 PolarHBondContact O-N 2.92Å
71E95.8Very high93.3Very high51 Ų5189.4 Ų89.424%0.23845%0.448CS..Hα-helixtrans-67.3-38.3179.8-54.4-56.916700111.9L54 C57 C68 K73 N74 F75L54-E71 HydrophobicContact CB-CB 4.14Å; L54-E71 HydrophobicContact CD1-CB 3.8Å; C57-E71 HydrophobicContact CB-CG 4.11Å; C68-E71 PolarHBondContact O-N 3.02Å; E71-K73 VanDerWaalsContact C-N 3.32Å; E71-K73 PolarHBondContact O-N 3.47Å; E71-N74 PolarHBondContact O-N 2.87Å; E71-F75 WeakPolarHBondContact O-CB 3.28Å; E71-F75 PolarHBondContact O-N 2.92Å
72V96Very high93.4Very high43 Ų4389.9 Ų89.926%0.26145%0.448SS..Hα-helixtrans-61.1-43.5174.2170.60000110.5L54 C68 N76L54-V72 HydrophobicContact CD1-CB 4.47Å; L54-V72 HydrophobicContact CD1-CG2 3.53Å; C68-V72 VanDerWaalsContact O-CG2 3.26Å; C68-V72 WeakPolarHBondContact O-CG2 3.37Å; C68-V72 PolarHBondContact O-N 3.39Å; V72-N76 WeakPolarHBondContact O-CB 3.45Å; V72-N76 VanDerWaalsContact O-CG 3.24Å; V72-N76 PolarHBondContact O-N 3.43Å; V72-N76 PolarHBondContact O-ND2 3.14Å; V72-N76 VanDerWaalsContact O-ND2 3.16Å
73K96Very high93.6Very high133 Ų13389.6 Ų89.658%0.57844%0.439SS*.Hα-helixtrans-63.9-48.7178-173.5-177175.2-173.90111.4T69 A70 E71 F75 N76 D77T69-K73 WeakPolarHBondContact O-CB 3.49Å; T69-K73 PolarHBondContact O-N 3.08Å; A70-K73 PolarHBondContact O-N 3.49Å; E71-K73 VanDerWaalsContact C-N 3.32Å; E71-K73 PolarHBondContact O-N 3.47Å; K73-F75 VanDerWaalsContact C-N 3.33Å; K73-F75 PolarHBondContact O-N 3.4Å; K73-N76 PolarHBondContact O-N 2.93Å; K73-D77 WeakPolarHBondContact O-CB 2.99Å; K73-D77 VanDerWaalsContact O-CG 3.31Å; K73-D77 PolarHBondContact O-N 3.46Å
74N96Very high93.7Very high70 Ų7087.8 Ų87.837%0.37443%0.433SS..Hα-helixtrans-59.3-43.7179.1-68.6-14.9000112E50 A70 E71 D77 C78E50-N74 WeakPolarHBondContact OE2-CB 3.37Å; A70-N74 PolarHBondContact O-N 2.92Å; E71-N74 PolarHBondContact O-N 2.87Å; N74-D77 PolarHBondContact O-N 3.29Å; N74-C78 WeakPolarHBondContact O-CB 3.44Å; N74-C78 PolarHBondContact O-N 3.1Å
75F96.2Very high93.9Very high51 Ų5184.7 Ų84.722%0.22442%0.419CS..Hα-helixtrans-61.2-47.3174.8176-99.7000112.1C47 E50 L51 L54 E71 K73 D77 C78 F79C47-F75 HydrophobicContact CB-CD2 4.27Å; C47-F75 HydrophobicContact CB-CE2 4.2Å; E50-F75 HydrophobicContact CB-CB 4.07Å; E50-F75 HydrophobicContact CB-CD2 4.15Å; L51-F75 HydrophobicContact CB-CD2 4.2Å; L51-F75 HydrophobicContact CB-CE2 4.04Å; L51-F75 HydrophobicContact CD1-CD2 4.5Å; L51-F75 HydrophobicContact CD1-CE2 4.05Å; L51-F75 HydrophobicContact CD1-CZ 4.48Å; L54-F75 HydrophobicContact CD2-CB 4.38Å; L54-F75 HydrophobicContact CD2-CD1 4.49Å; L54-F75 HydrophobicContact CD2-CG 4.35Å; E71-F75 WeakPolarHBondContact O-CB 3.28Å; E71-F75 PolarHBondContact O-N 2.92Å; K73-F75 VanDerWaalsContact C-N 3.33Å; K73-F75 PolarHBondContact O-N 3.4Å; F75-D77 PolarHBondContact O-N 2.95Å; F75-C78 PolarHBondContact O-N 3.41Å; F75-F79 WeakPolarHBondContact O-CB 3.22Å; F75-F79 PolarHBondContact O-N 2.91Å
76N95.6Very high94.3Very high76 Ų7680.3 Ų80.341%0.40640%0.395SS..Hα-helixtrans-62.6-42.6178.3-75.5-29.9000112V72 K73 F79 V80V72-N76 WeakPolarHBondContact O-CB 3.45Å; V72-N76 VanDerWaalsContact O-CG 3.24Å; V72-N76 PolarHBondContact O-N 3.43Å; V72-N76 PolarHBondContact O-ND2 3.14Å; V72-N76 VanDerWaalsContact O-ND2 3.16Å; K73-N76 PolarHBondContact O-N 2.93Å; N76-F79 PolarHBondContact O-N 2.81Å; N76-V80 WeakPolarHBondContact O-CG2 3.47Å; N76-V80 PolarHBondContact O-N 3.49Å
77D96Very high94.4Very high76 Ų7676.6 Ų76.641%0.40638%0.38SS..Hα-helixtrans-65.5-39.5177.9-71.4-17.9000111.4K73 N74 F75 R81K73-D77 WeakPolarHBondContact O-CB 2.99Å; K73-D77 VanDerWaalsContact O-CG 3.31Å; K73-D77 PolarHBondContact O-N 3.46Å; N74-D77 PolarHBondContact O-N 3.29Å; F75-D77 PolarHBondContact O-N 2.95Å; D77-R81 WeakPolarHBondContact O-CB 3.27Å; D77-R81 VanDerWaalsContact O-CG 3.22Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.3Å; D77-R81 PolarHBondContact O-NE 3.13Å
78C96.3Very high94.4Very high15 Ų1576.3 Ų76.310%0.10138%0.379CS..Hα-helixtrans-62.4-47.7170.8-178.90000111.4C47 E50 N74 F75 V80 R81 E82C47-C78 HydrophobicContact CB-CB 3.84Å; C47-C78 WeakPolarHBondContact CB-SG 3.35Å; C47-C78 WeakPolarHBondContact SG-CB 3.35Å; C47-C78 PolarHBondContact SG-O 3.23Å; C47-C78 CovalentContact SG-SG 2.04Å; C47-C78 PolarHBondContact SG-SG 3.45Å; E50-C78 HydrophobicContact CG-CB 3.84Å; N74-C78 WeakPolarHBondContact O-CB 3.44Å; N74-C78 PolarHBondContact O-N 3.1Å; F75-C78 PolarHBondContact O-N 3.41Å; C78-V80 PolarHBondContact O-N 2.96Å; C78-R81 PolarHBondContact O-N 3.29Å; C78-E82 PolarHBondContact O-N 3.47Å
79F96.3Very high94.1Very high105 Ų10580.3 Ų80.346%0.46140%0.399SS..Hα-helixtrans-61.8-44.3-177.5-179.8-102.6000112.4C47 F75 N76 R83C47-F79 PolarHBondContact SG-N 2.91Å; F75-F79 WeakPolarHBondContact O-CB 3.22Å; F75-F79 PolarHBondContact O-N 2.91Å; N76-F79 PolarHBondContact O-N 2.81Å; F79-R83 VanDerWaalsContact O-CB 3.27Å; F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.49Å
80V95.7Very high93.7Very high73 Ų7380.7 Ų80.744%0.44239%0.393SS..Hα-helixtrans-63.3-45177.2171.70000111N76 C78 R83 Q84N76-V80 WeakPolarHBondContact O-CG2 3.47Å; N76-V80 PolarHBondContact O-N 3.49Å; C78-V80 PolarHBondContact O-N 2.96Å; V80-R83 PolarHBondContact O-N 3.38Å; V80-Q84 WeakPolarHBondContact O-CG 3.47Å; V80-Q84 PolarHBondContact O-N 3.37Å
81R94.8Very high93.4Very high151 Ų15183.5 Ų83.557%0.5740%0.396SS*.Hα-helixtrans-61.2-48.3177.8-75.2-178.8-65.4163.7-0.7112.1D77 C78 R83 Q84 S85D77-R81 WeakPolarHBondContact O-CB 3.27Å; D77-R81 VanDerWaalsContact O-CG 3.22Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.3Å; D77-R81 PolarHBondContact O-NE 3.13Å; C78-R81 PolarHBondContact O-N 3.29Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R81-R83 PolarHBondContact O-N 2.91Å; R81-Q84 PolarHBondContact O-N 3.45Å; R81-S85 PolarHBondContact O-N 2.73Å
82E95Very high92.8Very high48 Ų4883.6 Ų83.622%0.22441%0.406CS..Hα-helixtrans-69.3-32.8-179.7-69.2-62175.500112.4K45 C78 Q84 S85 M86K45-E82 HydrophobicContact CB-CG 4.25Å; K45-E82 WeakPolarHBondContact CD-OE1 3.2Å; K45-E82 WeakPolarHBondContact CD-OE2 3.31Å; C78-E82 PolarHBondContact O-N 3.47Å; E82-Q84 VanDerWaalsContact C-N 3.35Å; E82-Q84 PolarHBondContact O-N 3.16Å; E82-S85 WeakPolarHBondContact CA-OG 3.4Å; E82-S85 PolarHBondContact O-N 3.32Å; E82-S85 PolarHBondContact O-OG 3.44Å; E82-S85 PolarHBondContact OE2-OG 3.15Å; E82-M86 VanDerWaalsContact O-CB 3.31Å; E82-M86 WeakPolarHBondContact O-CB 3.46Å; E82-M86 WeakPolarHBondContact O-CG 3.41Å; E82-M86 PolarHBondContact O-N 3.44Å
83R93.5Very high92.3Very high166 Ų16683.1 Ų83.163%0.62640%0.402SS*.Hα-helixtrans-63-42.7172.1-168.8179.6-179.3-177.51111.6F79 V80 R81 L87F79-R83 VanDerWaalsContact O-CB 3.27Å; F79-R83 WeakPolarHBondContact O-CB 3.34Å; F79-R83 PolarHBondContact O-N 3.49Å; V80-R83 PolarHBondContact O-N 3.38Å; R81-R83 VanDerWaalsContact C-N 3.34Å; R81-R83 PolarHBondContact O-N 2.91Å; R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 3.5Å; R83-L87 VanDerWaalsContact O-N 3.13Å
84Q93.3Very high91.8Very high111 Ų11184.9 Ų84.952%0.51941%0.41SS..Hα-helixtrans-65.6-45175.8-71.9175-3.400111.8V80 R81 E82 M86 L87 Q88V80-Q84 WeakPolarHBondContact O-CG 3.47Å; V80-Q84 PolarHBondContact O-N 3.37Å; R81-Q84 PolarHBondContact O-N 3.45Å; E82-Q84 VanDerWaalsContact C-N 3.35Å; E82-Q84 PolarHBondContact O-N 3.16Å; Q84-M86 VanDerWaalsContact C-N 3.3Å; Q84-M86 PolarHBondContact O-N 3.35Å; Q84-L87 PolarHBondContact O-N 2.94Å; Q84-Q88 WeakPolarHBondContact O-CG 3.26Å; Q84-Q88 PolarHBondContact O-N 3.49Å; Q84-Q88 VanDerWaalsContact O-N 3.08Å
85S92Very high91.2Very high35 Ų3587.6 Ų87.625%0.24542%0.421CS..Hα-helixtrans-59.2-42.2177.1830000111.3R81 E82 L87 Q88 L89R81-S85 PolarHBondContact O-N 2.73Å; E82-S85 WeakPolarHBondContact CA-OG 3.4Å; E82-S85 PolarHBondContact O-N 3.32Å; E82-S85 PolarHBondContact O-OG 3.44Å; E82-S85 PolarHBondContact OE2-OG 3.15Å; S85-L87 PolarHBondContact O-N 3.41Å; S85-Q88 PolarHBondContact O-N 3.12Å; S85-L89 WeakPolarHBondContact O-CG 3.19Å; S85-L89 PolarHBondContact O-N 3.45Å
86M91.9Very high90.6Very high15 Ų1585.2 Ų85.27%0.07441%0.411CS..Hα-helixtrans-65-38.3177.1-77.4-60.9-53.400113.1V42 E44 E82 Q84 L89 K90V42-M86 HydrophobicContact CB-CE 3.92Å; V42-M86 HydrophobicContact CG1-CE 3.58Å; V42-M86 HydrophobicContact CG1-SD 3.99Å; E44-M86 HydrophobicContact CB-CE 4.47Å; E44-M86 HydrophobicContact CB-SD 4.47Å; E44-M86 HydrophobicContact CG-CE 3.48Å; E44-M86 VanDerWaalsContact CG-CE 3.48Å; E44-M86 HydrophobicContact CG-CG 4.45Å; E44-M86 HydrophobicContact CG-SD 4.03Å; E82-M86 VanDerWaalsContact O-CB 3.31Å; E82-M86 WeakPolarHBondContact O-CB 3.46Å; E82-M86 WeakPolarHBondContact O-CG 3.41Å; E82-M86 PolarHBondContact O-N 3.44Å; Q84-M86 VanDerWaalsContact C-N 3.3Å; Q84-M86 PolarHBondContact O-N 3.35Å; M86-L89 PolarHBondContact O-N 2.95Å; M86-L89 HydrophobicContact SD-CD1 4.36Å; M86-K90 WeakPolarHBondContact O-CB 3.35Å; M86-K90 VanDerWaalsContact O-CG 3.29Å; M86-K90 WeakPolarHBondContact O-CG 3.38Å; M86-K90 PolarHBondContact O-N 3.27Å
87L91.6Very high90Very high94 Ų9486.9 Ų86.949%0.49242%0.419SS..Hα-helixtrans-64-44174.8-72.7174.1000111.2R83 Q84 S85 K90 Q91R83-L87 WeakPolarHBondContact O-CG 3.48Å; R83-L87 PolarHBondContact O-N 3.5Å; R83-L87 VanDerWaalsContact O-N 3.13Å; Q84-L87 PolarHBondContact O-N 2.94Å; S85-L87 PolarHBondContact O-N 3.41Å; L87-K90 PolarHBondContact O-N 3.42Å; L87-Q91 WeakPolarHBondContact O-CG 3.45Å; L87-Q91 PolarHBondContact O-N 3.09Å
88Q88.8Confident89.5Confident130 Ų13086.5 Ų86.561%0.60742%0.416SS*.Hα-helixtrans-62.7-44.3176.4-68.9175.5-7.100111.5Q84 S85 K90 Q91 A92Q84-Q88 WeakPolarHBondContact O-CG 3.26Å; Q84-Q88 PolarHBondContact O-N 3.49Å; Q84-Q88 VanDerWaalsContact O-N 3.08Å; S85-Q88 PolarHBondContact O-N 3.12Å; Q88-K90 PolarHBondContact O-N 3.2Å; Q88-Q91 PolarHBondContact O-N 3.14Å; Q88-A92 PolarHBondContact O-N 3.48Å
89L86.7Confident88.9Confident86 Ų8690.9 Ų90.945%0.4544%0.438SS..Hα-helixtrans-61.1-42.2174.7-72.4175.3000112.1V42 S85 M86 Q91 A92 V93V42-L89 HydrophobicContact CG1-CB 4.48Å; V42-L89 HydrophobicContact CG1-CD1 4.21Å; S85-L89 WeakPolarHBondContact O-CG 3.19Å; S85-L89 PolarHBondContact O-N 3.45Å; M86-L89 PolarHBondContact O-N 2.95Å; M86-L89 HydrophobicContact SD-CD1 4.36Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.91Å; L89-A92 PolarHBondContact O-N 3.44Å; L89-V93 WeakPolarHBondContact O-CB 3.29Å; L89-V93 VanDerWaalsContact O-CG2 3.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.06Å
90K86.4Confident88.5Confident106 Ų10691.3 Ų91.346%0.46145%0.451SS..Hα-helixtrans-62.9-39.2176-76.9174.6-179.7173.50112E44 M86 L87 Q88 K94E44-K90 IonicContact OE1-NZ 3.94Å; M86-K90 WeakPolarHBondContact O-CB 3.35Å; M86-K90 VanDerWaalsContact O-CG 3.29Å; M86-K90 WeakPolarHBondContact O-CG 3.38Å; M86-K90 PolarHBondContact O-N 3.27Å; L87-K90 PolarHBondContact O-N 3.42Å; Q88-K90 PolarHBondContact O-N 3.2Å; K90-K94 WeakPolarHBondContact O-CB 3.43Å; K90-K94 PolarHBondContact O-N 3.42Å; K90-K94 VanDerWaalsContact O-N 3.12Å
91Q87.3Confident88.1Confident119 Ų11995.8 Ų95.856%0.55647%0.472SS*.Hα-helixtrans-64.5-48174.5-72.2171-1.900111.1L87 Q88 L89 V93 K94 E95L87-Q91 WeakPolarHBondContact O-CG 3.45Å; L87-Q91 PolarHBondContact O-N 3.09Å; Q88-Q91 PolarHBondContact O-N 3.14Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.91Å; Q91-V93 PolarHBondContact O-N 3.11Å; Q91-K94 WeakPolarHBondContact O-CB 3.46Å; Q91-K94 PolarHBondContact O-N 2.93Å; Q91-K94 VanDerWaalsContact O-N 3.1Å; Q91-E95 WeakPolarHBondContact O-CG 3.44Å; Q91-E95 PolarHBondContact O-N 3.07Å
92A84.3Confident87.6Confident53 Ų5390.3 Ų90.344%0.43846%0.459SS..Hα-helixtrans-61.2-41.5178.300000112.9Q88 L89 K94 E95 G96Q88-A92 PolarHBondContact O-N 3.48Å; L89-A92 PolarHBondContact O-N 3.44Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 2.85Å; A92-E95 PolarHBondContact O-N 3.43Å; A92-G96 PolarHBondContact O-N 3.15Å; A92-G96 VanDerWaalsContact O-N 3.16Å
93V84.6Confident87.1Confident32 Ų3297.5 Ų97.519%0.19449%0.493CS..Hα-helixtrans-62.3-39.7174.81700000111.1E40 V42 L89 Q91 G96 F107 A108E40-V93 HydrophobicContact CB-CG1 4.42Å; E40-V93 HydrophobicContact CG-CG1 4.14Å; V42-V93 HydrophobicContact CG2-CG2 4.33Å; L89-V93 WeakPolarHBondContact O-CB 3.29Å; L89-V93 VanDerWaalsContact O-CG2 3.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.42Å; L89-V93 PolarHBondContact O-N 3.06Å; Q91-V93 PolarHBondContact O-N 3.11Å; V93-G96 PolarHBondContact O-N 3.34Å; V93-F107 HydrophobicContact CG1-CE1 4.18Å; V93-A108 WeakPolarHBondContact O-CB 3.5Å
94K84.6Confident86.7Confident171 Ų171100.5 Ų100.574%0.74350%0.504SS*.Hα-helixtrans-67-41.2177.6-178.5-175.1175.5-171.80112.2K90 Q91 A92 G96K90-K94 WeakPolarHBondContact O-CB 3.43Å; K90-K94 PolarHBondContact O-N 3.42Å; K90-K94 VanDerWaalsContact O-N 3.12Å; Q91-K94 WeakPolarHBondContact O-CB 3.46Å; Q91-K94 PolarHBondContact O-N 2.93Å; Q91-K94 VanDerWaalsContact O-N 3.1Å; A92-K94 VanDerWaalsContact C-N 3.31Å; A92-K94 PolarHBondContact O-N 2.85Å; K94-G96 PolarHBondContact O-N 2.97Å
95E85.2Confident86.5Confident127 Ų12798.9 Ų98.959%0.59350%0.499SS*.Hα-helixtrans-64.6-30.5177.9-73.3175-176.800112.2Q91 A92 L97Q91-E95 WeakPolarHBondContact O-CG 3.44Å; Q91-E95 PolarHBondContact O-N 3.07Å; A92-E95 PolarHBondContact O-N 3.43Å; E95-L97 PolarHBondContact O-N 2.86Å
96G82.9Confident86.3Confident1 Ų198.3 Ų98.31%0.0149%0.494CS..THydrogen-bonded Turntrans57.847.1170.600000112.7A92 V93 K94 L98 Q109A92-G96 PolarHBondContact O-N 3.15Å; A92-G96 VanDerWaalsContact O-N 3.16Å; V93-G96 PolarHBondContact O-N 3.34Å; K94-G96 PolarHBondContact O-N 2.97Å; G96-L98 PolarHBondContact O-N 3.25Å; G96-Q109 WeakPolarHBondContact O-CG 3.11Å
97L83.6Confident86.2Confident110 Ų110100.2 Ų100.258%0.57650%0.502SS*.  trans-60.8132.2174.6-62.5178.3000109.8E95 I99 Q109E95-L97 PolarHBondContact O-N 2.86Å; L97-I99 PolarHBondContact O-N 3.38Å; L97-Q109 PolarHBondContact O-NE2 3.42Å
98L85.8Confident86Confident69 Ų6996.4 Ų96.436%0.36148%0.484SS..  trans-75.7115.9-179.1-62.4173.8000108.7G96 L105 Q109 K112 L113G96-L98 PolarHBondContact O-N 3.25Å; L98-L105 HydrophobicContact CD2-CD2 4.47Å; L98-Q109 HydrophobicContact CD2-CB 3.95Å; L98-Q109 HydrophobicContact CD2-CG 4.22Å; L98-K112 HydrophobicContact CG-CD 4.43Å; L98-L113 HydrophobicContact CD1-CD2 3.84Å; L98-L113 HydrophobicContact CD2-CD1 4.29Å; L98-L113 HydrophobicContact CD2-CD2 3.96Å; L98-L113 HydrophobicContact CD2-CG 3.85Å
99I83.8Confident86.1Confident107 Ų10790.8 Ų90.855%0.54946%0.458SS..  trans-91.4125.1178.3-57.3161.2000107.9L97 N101 A102L97-I99 PolarHBondContact O-N 3.38Å; I99-N101 PolarHBondContact O-N 2.91Å; I99-A102 HydrophobicContact CB-CB 4.04Å; I99-A102 HydrophobicContact CG2-CB 4.3Å; I99-A102 PolarHBondContact O-N 2.94Å
100P86.1Confident86.3Confident114 Ų11488.6 Ų88.674%0.7445%0.448SS*.THydrogen-bonded Turntrans-57.1137.8174.2-23.733.9000111.5A102P100-A102 PolarHBondContact O-N 3.35Å; P100-A102 VanDerWaalsContact O-N 3.14Å
101N88.3Confident86.5Confident166 Ų16685.6 Ų85.689%0.88844%0.437SS*.THydrogen-bonded Turntrans60.314.9177.9-61.1-19.5000116.9I99 Q103I99-N101 PolarHBondContact O-N 2.91Å; N101-Q103 PolarHBondContact O-N 3.18Å
102A84.5Confident86.7Confident36 Ų3683.9 Ų83.930%0.29843%0.428SS..  trans-67.8121.5172.900000111.2I99 P100 R104I99-A102 HydrophobicContact CB-CB 4.04Å; I99-A102 HydrophobicContact CG2-CB 4.3Å; I99-A102 PolarHBondContact O-N 2.94Å; P100-A102 PolarHBondContact O-N 3.35Å; P100-A102 VanDerWaalsContact O-N 3.14Å; A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 2.86Å
103Q84.8Confident87Confident199 Ų19983.8 Ų83.893%0.9342%0.42SS*.SBendtrans-72.9-23.3176.9-66.4-177.1-3.100113.3N101N101-Q103 PolarHBondContact O-N 3.18Å
104R85.3Confident87.2Confident229 Ų22984.2 Ų84.286%0.86442%0.42SS*.SBendtrans-121.9119.4178.8-66.4-176178.1-179.70.6109.1A102A102-R104 VanDerWaalsContact C-N 3.31Å; A102-R104 PolarHBondContact O-N 2.86Å
105L87.4Confident87.4Confident77 Ų7779.3 Ų79.340%0.40341%0.412SS..  trans-97136.5177-68.5148.2000109.8L98 Q109 V110 L113L98-L105 HydrophobicContact CD2-CD2 4.47Å; L105-Q109 VanDerWaalsContact CA-OE1 3.23Å; L105-Q109 HydrophobicContact CB-CB 4.22Å; L105-Q109 HydrophobicContact CD2-CB 3.85Å; L105-V110 HydrophobicContact CB-CG2 3.65Å; L105-L113 HydrophobicContact CD1-CD1 3.9Å; L105-L113 HydrophobicContact CD2-CD1 4.08Å
106T87.9Confident87.6Confident24 Ų2477.7 Ų77.715%0.14740%0.404CS..  trans-68.6159.7172690000110.6E40 A108 Q109 V110E40-T106 WeakPolarHBondContact OE2-CA 3.48Å; E40-T106 WeakPolarHBondContact OE2-CB 3.31Å; T106-A108 PolarHBondContact O-N 2.87Å; T106-A108 VanDerWaalsContact O-N 3.14Å; T106-Q109 WeakPolarHBondContact O-CB 3.41Å; T106-Q109 PolarHBondContact O-N 3.31Å; T106-Q109 VanDerWaalsContact O-N 3.09Å; T106-Q109 VanDerWaalsContact OG1-CG 3.31Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.4Å; T106-Q109 PolarHBondContact OG1-N 3Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 2.8Å
107F89.4Confident88Confident55 Ų5586.2 Ų86.224%0.24144%0.436CS..Hα-helixtrans-57.3-33.1177.769.3-94.8000112.3A37 E40 V93 N111A37-F107 HydrophobicContact CB-CD1 4.34Å; A37-F107 HydrophobicContact CB-CD2 3.58Å; A37-F107 HydrophobicContact CB-CE1 4.43Å; A37-F107 HydrophobicContact CB-CE2 3.67Å; A37-F107 HydrophobicContact CB-CG 3.97Å; A37-F107 HydrophobicContact CB-CZ 4.12Å; E40-F107 HydrophobicContact CB-CD1 3.91Å; E40-F107 HydrophobicContact CB-CE1 3.7Å; E40-F107 HydrophobicContact CG-CD1 4.48Å; E40-F107 HydrophobicContact CG-CE1 4.45Å; E40-F107 WeakPolarHBondContact OE2-CD1 3.04Å; E40-F107 PolarHBondContact OE2-N 3.2Å; E40-F107 VanDerWaalsContact OE2-N 3.11Å; V93-F107 HydrophobicContact CG1-CE1 4.18Å; F107-N111 VanDerWaalsContact O-CB 3.31Å; F107-N111 WeakPolarHBondContact O-CB 3.41Å; F107-N111 VanDerWaalsContact O-CG 3.26Å; F107-N111 PolarHBondContact O-N 2.81Å; F107-N111 PolarHBondContact O-ND2 2.71Å
108A89Confident88.2Confident14 Ų1484.5 Ų84.512%0.11643%0.432CS..Hα-helixtrans-68.1-44.9178.200000111.1V93 T106 N111 K112V93-A108 WeakPolarHBondContact O-CB 3.5Å; T106-A108 PolarHBondContact O-N 2.87Å; T106-A108 VanDerWaalsContact O-N 3.14Å; A108-N111 PolarHBondContact O-N 3.25Å; A108-K112 WeakPolarHBondContact O-CB 3.45Å; A108-K112 PolarHBondContact O-N 3.42Å
109Q90.7Very high88.2Confident11 Ų1184 Ų845%0.05143%0.428CS..Hα-helixtrans-61.8-45174.8-70.8165.9-11.500111.2G96 L97 L98 L105 T106 N111 K112 L113G96-Q109 WeakPolarHBondContact O-CG 3.11Å; L97-Q109 PolarHBondContact O-NE2 3.42Å; L98-Q109 HydrophobicContact CD2-CB 3.95Å; L98-Q109 HydrophobicContact CD2-CG 4.22Å; L105-Q109 VanDerWaalsContact CA-OE1 3.23Å; L105-Q109 HydrophobicContact CB-CB 4.22Å; L105-Q109 HydrophobicContact CD2-CB 3.85Å; T106-Q109 WeakPolarHBondContact O-CB 3.41Å; T106-Q109 PolarHBondContact O-N 3.31Å; T106-Q109 VanDerWaalsContact O-N 3.09Å; T106-Q109 VanDerWaalsContact OG1-CG 3.31Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.4Å; T106-Q109 PolarHBondContact OG1-N 3Å; Q109-N111 PolarHBondContact O-N 2.85Å; Q109-K112 WeakPolarHBondContact O-CB 3.33Å; Q109-K112 PolarHBondContact O-N 3.4Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 2.9Å
110V90.5Very high88.3Confident41 Ų4184.6 Ų84.625%0.24844%0.438CS..Hα-helixtrans-61.3-45.1176.3175.50000111.2V35 L105 T106 K112 L113 L114V35-V110 HydrophobicContact CB-CG1 4.48Å; V35-V110 HydrophobicContact CG2-CG1 3.78Å; L105-V110 HydrophobicContact CB-CG2 3.65Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 2.8Å; V110-K112 VanDerWaalsContact C-N 3.28Å; V110-K112 PolarHBondContact O-N 3.14Å; V110-L113 PolarHBondContact O-N 2.96Å; V110-L114 HydrophobicContact CG1-CD1 3.95Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.33Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 2.69Å
111N90.9Very high88.1Confident42 Ų4281.3 Ų81.323%0.22543%0.425CS..Hα-helixtrans-63.7-33.4177-79.2-30.9000112.8K34 V35 F107 A108 Q109 A115K34-N111 WeakPolarHBondContact CA-OD1 3.31Å; V35-N111 PolarHBondContact N-OD1 3.31Å; V35-N111 PolarHBondContact O-ND2 3.07Å; V35-N111 PolarHBondContact O-OD1 3.16Å; F107-N111 VanDerWaalsContact O-CB 3.31Å; F107-N111 WeakPolarHBondContact O-CB 3.41Å; F107-N111 VanDerWaalsContact O-CG 3.26Å; F107-N111 PolarHBondContact O-N 2.81Å; F107-N111 PolarHBondContact O-ND2 2.71Å; A108-N111 PolarHBondContact O-N 3.25Å; Q109-N111 PolarHBondContact O-N 2.85Å; N111-A115 WeakPolarHBondContact O-CB 3.49Å; N111-A115 PolarHBondContact O-N 3.17Å
112K90.2Very high87.6Confident84 Ų8474.1 Ų74.137%0.36539%0.389SS..Hα-helixtrans-67.5-44.3173.8-167.8173.9-174.6174.10111.6L98 A108 Q109 V110 A115 Q116L98-K112 HydrophobicContact CG-CD 4.43Å; A108-K112 WeakPolarHBondContact O-CB 3.45Å; A108-K112 PolarHBondContact O-N 3.42Å; Q109-K112 WeakPolarHBondContact O-CB 3.33Å; Q109-K112 PolarHBondContact O-N 3.4Å; V110-K112 VanDerWaalsContact C-N 3.28Å; V110-K112 PolarHBondContact O-N 3.14Å; K112-A115 PolarHBondContact O-N 3.05Å; K112-Q116 WeakPolarHBondContact O-CG 3.21Å; K112-Q116 PolarHBondContact O-N 2.99Å
113L90.8Very high87Confident51 Ų5178 Ų7827%0.26740%0.399SS..Hα-helixtrans-63.1-45.1174.9-70.1174.3000111.9L98 L105 Q109 V110 A115 Q116 W117L98-L113 HydrophobicContact CD1-CD2 3.84Å; L98-L113 HydrophobicContact CD2-CD1 4.29Å; L98-L113 HydrophobicContact CD2-CD2 3.96Å; L98-L113 HydrophobicContact CD2-CG 3.85Å; L105-L113 HydrophobicContact CD1-CD1 3.9Å; L105-L113 HydrophobicContact CD2-CD1 4.08Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 2.9Å; V110-L113 PolarHBondContact O-N 2.96Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.04Å; L113-Q116 PolarHBondContact O-N 3.39Å; L113-Q116 VanDerWaalsContact O-N 3.15Å; L113-W117 HydrophobicContact CD2-CE3 4.19Å; L113-W117 HydrophobicContact CD2-CZ3 3.65Å; L113-W117 PolarHBondContact O-N 3Å
114L90.1Very high86Confident40 Ų4073.5 Ų73.521%0.20939%0.385CS..Hα-helixtrans-61.8-39.8176.2-72.9175.3000111.6N33 V35 V110 Q116 W117N33-L114 PolarHBondContact ND2-O 3.2Å; N33-L114 WeakPolarHBondContact OD1-CB 3.47Å; N33-L114 PolarHBondContact OD1-O 2.76Å; V35-L114 HydrophobicContact CG2-CD1 3.78Å; V110-L114 HydrophobicContact CG1-CD1 3.95Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.33Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 2.69Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.43Å; L114-W117 CarbonylContact O-C 3.25Å; L114-W117 VanDerWaalsContact O-C 3.25Å; L114-W117 PolarHBondContact O-N 3Å
115A87.9Confident84.7Confident68 Ų6867.7 Ų67.756%0.56238%0.375SS*.Hα-helixtrans-63-37.6174.900000112.6N111 K112 L113N111-A115 WeakPolarHBondContact O-CB 3.49Å; N111-A115 PolarHBondContact O-N 3.17Å; K112-A115 PolarHBondContact O-N 3.05Å; L113-A115 VanDerWaalsContact C-N 3.31Å; L113-A115 PolarHBondContact O-N 3.04Å
116Q89.2Confident83.3Confident94 Ų9475 Ų7544%0.43940%0.397SS..Hα-helixtrans-72.6-41177.3-72.7174-5.500112.2K112 L113 L114 P118K112-Q116 WeakPolarHBondContact O-CG 3.21Å; K112-Q116 PolarHBondContact O-N 2.99Å; L113-Q116 PolarHBondContact O-N 3.39Å; L113-Q116 VanDerWaalsContact O-N 3.15Å; L114-Q116 VanDerWaalsContact C-N 3.31Å; L114-Q116 PolarHBondContact O-N 3.43Å; Q116-P118 WeakPolarHBondContact O-CD 3.33Å
117W91.1Very high81.8Confident179 Ų17977.9 Ų77.968%0.67842%0.419SS*.SBendtrans-123.278.7-179.5-65.2-82.4000111.7L113 L114 H119L113-W117 HydrophobicContact CD2-CE3 4.19Å; L113-W117 HydrophobicContact CD2-CZ3 3.65Å; L113-W117 PolarHBondContact O-N 3Å; L114-W117 CarbonylContact O-C 3.25Å; L114-W117 VanDerWaalsContact O-C 3.25Å; L114-W117 PolarHBondContact O-N 3Å; W117-H119 PolarHBondContact O-N 3.06Å
118P88.8Confident80.3Confident74 Ų7487.2 Ų87.248%0.48145%0.452SS..PPolyproline II helixtrans-65.4129.7175.825.1-32.5000111.2N33 Q116N33-P118 WeakPolarHBondContact ND2-CB 3.46Å; Q116-P118 WeakPolarHBondContact O-CD 3.33Å
119H85.8Confident79.1Confident60 Ų6091.4 Ų91.428%0.27848%0.476SS..PPolyproline II helixtrans-75.4156.2173.270.976000111.2L31 W117 G121 A122L31-H119 WeakPolarHBondContact CB-NE2 3.33Å; L31-H119 PolarHBondContact O-CE1 2.98Å; L31-H119 PolarHBondContact O-NE2 3.25Å; L31-H119 VanDerWaalsContact O-NE2 3.14Å; W117-H119 PolarHBondContact O-N 3.06Å; H119-G121 PolarHBondContact O-N 3.05Å; H119-A122 WeakPolarHBondContact O-CB 3.26Å; H119-A122 PolarHBondContact O-N 3.04Å; H119-A122 VanDerWaalsContact O-N 3.16Å
120P85.2Confident78.1Confident118 Ų11893.3 Ų93.377%0.76648%0.483SS*.THydrogen-bonded Turntrans-57.6138.3178.822.7-33.6000111.6A122P120-A122 PolarHBondContact O-N 2.99Å
121G81.8Confident77.4Confident45 Ų4593.7 Ų93.746%0.46449%0.486SS..THydrogen-bonded Turntrans79.3-7.9-178.600000115.6T30 H119 K123T30-G121 PolarHBondContact OG1-O 3.36Å; T30-G121 VanDerWaalsContact OG1-O 3.05Å; H119-G121 PolarHBondContact O-N 3.05Å; G121-K123 PolarHBondContact O-N 2.64Å
122A78.7Confident76.8Confident16 Ų1698 Ų9813%0.13252%0.516CS..  trans-62.2121.4176.800000110.3N33 H119 P120 T124N33-A122 HydrophobicContact CB-CB 3.77Å; H119-A122 WeakPolarHBondContact O-CB 3.26Å; H119-A122 PolarHBondContact O-N 3.04Å; H119-A122 VanDerWaalsContact O-N 3.16Å; P120-A122 PolarHBondContact O-N 2.99Å; A122-T124 PolarHBondContact O-N 3.28Å
123K70.9Confident76.4Confident117 Ų117104.1 Ų104.151%0.50954%0.537SS..  trans-70.5108.3175.3-61.6-174.1-177.9-167.90108.6G121 T125G121-K123 PolarHBondContact O-N 2.64Å; K123-T125 PolarHBondContact O-N 3.04Å
124T63.6Low75.9Confident105 Ų105105.8 Ų105.864%0.64455%0.545SS*.  trans-62124.815855.30000105.7A122 R126A122-T124 PolarHBondContact O-N 3.28Å; T124-R126 PolarHBondContact O-N 3.3Å
125T59.6Low75.5Confident107 Ų107106.5 Ų106.566%0.65655%0.553SS**  trans-67.296.2173.2-45.80000104.3K123 S127K123-T125 PolarHBondContact O-N 3.04Å; T125-S127 PolarHBondContact O-N 3.25Å
126R56.8Low75.2Confident229 Ų229112.8 Ų112.886%0.86456%0.564SS**  trans-54.4105.4158.3-116.9-177.6167170.4-3.3102.7T124 R128T124-R126 PolarHBondContact O-N 3.3Å; R126-R128 PolarHBondContact O-N 2.82Å
127S56.6Low74.9Confident85 Ų85112.7 Ų112.759%0.59458%0.579SS**  trans-45.1132.116938.40000105.5T125 V129T125-S127 PolarHBondContact O-N 3.25Å; S127-V129 PolarHBondContact O-N 3.43Å; S127-V129 VanDerWaalsContact OG-CG2 3.26Å; S127-V129 WeakPolarHBondContact OG-CG2 3.45Å
128R58.7Low74.4Confident251 Ų251107.6 Ų107.695%0.94757%0.565SS**  trans-68.375170.7-76.6-177.1-74.6-153.3-3.5106.3R126R126-R128 PolarHBondContact O-N 2.82Å
129V63.2Low73.9Confident102 Ų102109.7 Ų109.762%0.61858%0.579SS**PPolyproline II helixtrans-73.8129.2171.6-169.10000105.6S127S127-V129 PolarHBondContact O-N 3.43Å; S127-V129 VanDerWaalsContact OG-CG2 3.26Å; S127-V129 WeakPolarHBondContact OG-CG2 3.45Å
130R69Low73.5Confident52 Ų52114.3 Ų114.320%0.19660%0.602CS.*PPolyproline II helixtrans-60133.9172.3-158.5180171139.75.3107.5M134 S135 Y136 D138R130-M134 WeakPolarHBondContact CD-O 3.17Å; R130-M134 HydrophobicContact CG-CB 4.08Å; R130-M134 PolarHBondContact NE-O 2.87Å; R130-S135 PolarHBondContact NE-O 3.47Å; R130-S135 PolarHBondContact NH1-O 3.24Å; R130-S135 PolarHBondContact NH2-O 3.21Å; R130-Y136 PolarHBondContact NH1-O 2.89Å; R130-D138 PolarHBondContact NH1-O 3.18Å; R130-D138 VanDerWaalsContact NH2-CB 3.32Å; R130-D138 PolarHBondContact NH2-O 3.26Å; R130-D138 IonicContact NH2-OD2 3.3Å; R130-D138 PolarHBondContact NH2-OD2 3.44Å
131P76.4Confident73.1Confident48 Ų48113 Ų11331%0.31260%0.602SS.*PPolyproline II helixtrans-55.3143.8178.3-2533.7000111.3W133 M134P131-W133 HydrophobicContact CB-CD2 3.7Å; P131-W133 HydrophobicContact CB-CE3 4.04Å; P131-W133 HydrophobicContact CB-CG 4.37Å; P131-W133 HydrophobicContact CB-CH2 3.77Å; P131-W133 HydrophobicContact CB-CZ2 3.38Å; P131-W133 HydrophobicContact CB-CZ3 4.07Å; P131-W133 HydrophobicContact CG-CZ2 3.99Å; P131-W133 PolarHBondContact O-N 3.07Å; P131-M134 PolarHBondContact O-N 3.37Å
132P79Confident73Confident132 Ų132116 Ų11686%0.85762%0.615SS**THydrogen-bonded Turntrans-55.4-26.6-173.9-28.635.3000115.1M134P132-M134 VanDerWaalsContact C-N 3.3Å; P132-M134 PolarHBondContact O-N 3.18Å
133W82Confident73.2Confident214 Ų214122.8 Ų122.881%0.81164%0.644SS**THydrogen-bonded Turntrans-82.83-179.757.982.1000114.8P131P131-W133 HydrophobicContact CB-CD2 3.7Å; P131-W133 HydrophobicContact CB-CE3 4.04Å; P131-W133 HydrophobicContact CB-CG 4.37Å; P131-W133 HydrophobicContact CB-CH2 3.77Å; P131-W133 HydrophobicContact CB-CZ2 3.38Å; P131-W133 HydrophobicContact CB-CZ3 4.07Å; P131-W133 HydrophobicContact CG-CZ2 3.99Å; P131-W133 PolarHBondContact O-N 3.07Å
134M79Confident73.9Confident85 Ų85122.8 Ų122.842%0.41964%0.644SS.*SBendtrans-118.3113.5-172.1-142.6178176.400109.2R130 P131 P132R130-M134 WeakPolarHBondContact CD-O 3.17Å; R130-M134 HydrophobicContact CG-CB 4.08Å; R130-M134 PolarHBondContact NE-O 2.87Å; P131-M134 PolarHBondContact O-N 3.37Å; P132-M134 VanDerWaalsContact C-N 3.3Å; P132-M134 PolarHBondContact O-N 3.18Å
135S82.5Confident75.2Confident56 Ų56121.7 Ų121.739%0.39264%0.637SS.*  trans-74.2141.2-169.282.10000112R130 A137 D138R130-S135 PolarHBondContact NE-O 3.47Å; R130-S135 PolarHBondContact NH1-O 3.24Å; R130-S135 PolarHBondContact NH2-O 3.21Å; S135-A137 PolarHBondContact O-N 3.45Å; S135-D138 PolarHBondContact N-OD2 3Å; S135-D138 PolarHBondContact O-N 3.11Å; S135-D138 PolarHBondContact OG-N 2.96Å; S135-D138 PolarHBondContact OG-OD1 3.29Å; S135-D138 PolarHBondContact OG-OD2 3.45Å; S135-D138 VanDerWaalsContact OG-OD2 3.04Å
136Y80.9Confident76.7Confident199 Ų199123.7 Ų123.778%0.7864%0.637SS**THydrogen-bonded Turntrans-57.3-22.8179.7-75-80.6000114.4R130R130-Y136 PolarHBondContact NH1-O 2.89Å
137A82.9Confident78.3Confident92 Ų92122.4 Ų122.476%0.7663%0.632SS**THydrogen-bonded Turntrans-74.7-23.4177.700000114.2S135S135-A137 PolarHBondContact O-N 3.45Å
138D81Confident79.8Confident73 Ų73120.7 Ų120.739%0.3962%0.616SS.*SBendtrans-70.1128.8178.9-36.3-59.4000109.4R130 S135 M140R130-D138 PolarHBondContact NH1-O 3.18Å; R130-D138 VanDerWaalsContact NH2-CB 3.32Å; R130-D138 PolarHBondContact NH2-O 3.26Å; R130-D138 IonicContact NH2-OD2 3.3Å; R130-D138 PolarHBondContact NH2-OD2 3.44Å; S135-D138 PolarHBondContact N-OD2 3Å; S135-D138 PolarHBondContact O-N 3.11Å; S135-D138 PolarHBondContact OG-N 2.96Å; S135-D138 PolarHBondContact OG-OD1 3.29Å; S135-D138 PolarHBondContact OG-OD2 3.45Å; S135-D138 VanDerWaalsContact OG-OD2 3.04Å; D138-M140 PolarHBondContact O-N 2.95Å
139P78.4Confident81.4Confident117 Ų117114 Ų11476%0.7659%0.593SS**PPolyproline II helixtrans-59.6133.7175.322.2-30.2000109.6A141P139-A141 PolarHBondContact O-N 3.35Å
140M77.1Confident82.8Confident157 Ų157114.2 Ų114.277%0.77359%0.588SS**PPolyproline II helixtrans-58.1119.2171.6-77.717668.100108.5D138 S142D138-M140 PolarHBondContact O-N 2.95Å; M140-S142 PolarHBondContact O-N 2.99Å
141A77.5Confident83.8Confident91 Ų91116.3 Ų116.375%0.75260%0.598SS**PPolyproline II helixtrans-55.1127.3175.100000109.4P139 H143P139-A141 PolarHBondContact O-N 3.35Å; A141-H143 PolarHBondContact O-N 3.39Å
142S80.1Confident84.4Confident107 Ų107116.3 Ų116.375%0.74860%0.596SS**PPolyproline II helixtrans-53.6134.8-178.6173.30000111.6M140 K144M140-S142 PolarHBondContact O-N 2.99Å; S142-K144 PolarHBondContact O-N 2.84Å
143H81.9Confident85Confident160 Ų160112.6 Ų112.674%0.74158%0.576SS**  trans-61.6108.2172.5-78.1-66.6000109.7A141 T145A141-H143 PolarHBondContact O-N 3.39Å; H143-T145 PolarHBondContact O-N 2.88Å
144K85.1Confident85.4Confident117 Ų117108.6 Ų108.651%0.50956%0.564SS.*  trans-58.8138.4177.1-56.9-174.5-170.3-64.20110.6S142 I148 K149 L152S142-K144 PolarHBondContact O-N 2.84Å; K144-I148 HydrophobicContact CB-CB 4.33Å; K144-I148 HydrophobicContact CB-CG2 4.01Å; K144-I148 HydrophobicContact CD-CG2 3.94Å; K144-I148 HydrophobicContact CG-CG2 4.35Å; K144-K149 HydrophobicContact CB-CG 4.14Å; K144-K149 WeakPolarHBondContact O-CE 3.31Å; K144-L152 HydrophobicContact CD-CD1 3.47Å; K144-L152 VanDerWaalsContact CD-CD1 3.47Å
145T91.2Very high85.9Confident82 Ų82106 Ų10650%0.50355%0.554SS.*  trans-59.3155.3174.166.50000111.2H143 R147 I148 K149H143-T145 PolarHBondContact O-N 2.88Å; T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 2.88Å; T145-I148 PolarHBondContact O-N 3.1Å; T145-I148 VanDerWaalsContact O-N 3.11Å; T145-I148 WeakPolarHBondContact OG1-CD1 3.45Å; T145-I148 WeakPolarHBondContact OG1-CG1 3.47Å; T145-I148 PolarHBondContact OG1-N 3.39Å; T145-K149 PolarHBondContact O-N 3.22Å
146F91Very high86.3Confident149 Ų149110.6 Ų110.665%0.65457%0.571SS**Hα-helixtrans-57.8-39.3180-178.3-115.1000112.7I148 K149 Q150F146-I148 PolarHBondContact O-N 3.46Å; F146-K149 WeakPolarHBondContact O-CB 2.97Å; F146-K149 PolarHBondContact O-N 3.02Å; F146-Q150 HydrophobicContact CD1-CG 4.39Å; F146-Q150 HydrophobicContact CE1-CG 4.1Å; F146-Q150 HydrophobicContact CE2-CG 4.3Å; F146-Q150 HydrophobicContact CZ-CG 4.05Å; F146-Q150 WeakPolarHBondContact O-CG 3.43Å; F146-Q150 PolarHBondContact O-N 3.38Å
147R90.4Very high86.7Confident202 Ų202107.7 Ų107.776%0.76256%0.559SS**Hα-helixtrans-59.4-44.6175.2-69.7-178.4176.4177.5-0.7111.9T145 Q150 K151T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 2.88Å; R147-Q150 PolarHBondContact O-N 2.94Å; R147-K151 PolarHBondContact O-N 3.39Å
148I89.6Confident87Confident48 Ų48105.6 Ų105.625%0.24654%0.537CS..Hα-helixtrans-64.3-44.4175.9-68170.1000110.3K144 T145 F146 Q150 K151 L152 L190K144-I148 HydrophobicContact CB-CB 4.33Å; K144-I148 HydrophobicContact CB-CG2 4.01Å; K144-I148 HydrophobicContact CD-CG2 3.94Å; K144-I148 HydrophobicContact CG-CG2 4.35Å; T145-I148 PolarHBondContact O-N 3.1Å; T145-I148 VanDerWaalsContact O-N 3.11Å; T145-I148 WeakPolarHBondContact OG1-CD1 3.45Å; T145-I148 WeakPolarHBondContact OG1-CG1 3.47Å; T145-I148 PolarHBondContact OG1-N 3.39Å; F146-I148 PolarHBondContact O-N 3.46Å; I148-Q150 VanDerWaalsContact C-N 3.32Å; I148-Q150 PolarHBondContact O-N 3.4Å; I148-K151 PolarHBondContact O-N 3.1Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.23Å; I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 VanDerWaalsContact O-CG 3.31Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.19Å; I148-L190 HydrophobicContact CG2-CD1 3.87Å; I148-L190 HydrophobicContact CG2-CD2 4.28Å
149K90.6Very high87.5Confident110 Ų110104.7 Ų104.748%0.47853%0.532SS..Hα-helixtrans-58-43.1176.4-70.3176.6177.1171.10111.9K144 T145 F146 L152 A153K144-K149 HydrophobicContact CB-CG 4.14Å; K144-K149 WeakPolarHBondContact O-CE 3.31Å; T145-K149 PolarHBondContact O-N 3.22Å; F146-K149 WeakPolarHBondContact O-CB 2.97Å; F146-K149 PolarHBondContact O-N 3.02Å; K149-L152 PolarHBondContact O-N 3.43Å; K149-A153 WeakPolarHBondContact O-CB 3.44Å; K149-A153 PolarHBondContact O-N 2.93Å
150Q93.2Very high88Confident108 Ų108106.9 Ų106.951%0.50553%0.525SS..Hα-helixtrans-63.5-45.6175.5-73.9-172.4-19.900112.5F146 R147 I148 L152 A153 K154F146-Q150 HydrophobicContact CD1-CG 4.39Å; F146-Q150 HydrophobicContact CE1-CG 4.1Å; F146-Q150 HydrophobicContact CE2-CG 4.3Å; F146-Q150 HydrophobicContact CZ-CG 4.05Å; F146-Q150 WeakPolarHBondContact O-CG 3.43Å; F146-Q150 PolarHBondContact O-N 3.38Å; R147-Q150 PolarHBondContact O-N 2.94Å; I148-Q150 VanDerWaalsContact C-N 3.32Å; I148-Q150 PolarHBondContact O-N 3.4Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.38Å; Q150-A153 PolarHBondContact O-N 2.81Å; Q150-K154 WeakPolarHBondContact O-CB 3.44Å; Q150-K154 PolarHBondContact O-N 3.38Å
151K90.2Very high88.7Confident95 Ų95103.2 Ų103.241%0.41351%0.513SS..Hα-helixtrans-59-44.9175.4-74-174.2-177.7-176.10110.9R147 I148 K154 C155 L190R147-K151 PolarHBondContact O-N 3.39Å; I148-K151 PolarHBondContact O-N 3.1Å; K151-K154 PolarHBondContact O-N 3.19Å; K151-C155 PolarHBondContact O-N 2.99Å; K151-C155 PolarHBondContact O-SG 3.47Å; K151-L190 HydrophobicContact CB-CD2 3.56Å; K151-L190 HydrophobicContact CD-CD2 3.63Å; K151-L190 HydrophobicContact CG-CD2 4.24Å; K151-L190 PolarHBondContact NZ-OXT 3.37Å
152L89Confident89.4Confident49 Ų4999.8 Ų99.826%0.25748%0.482SS..Hα-helixtrans-61.8-48.7177.1-74.3174.1000112.3K144 I148 K149 Q150 K154 C155 M156 L188K144-L152 HydrophobicContact CD-CD1 3.47Å; K144-L152 VanDerWaalsContact CD-CD1 3.47Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.23Å; I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 VanDerWaalsContact O-CG 3.31Å; I148-L152 WeakPolarHBondContact O-CG 3.36Å; I148-L152 PolarHBondContact O-N 3.19Å; K149-L152 PolarHBondContact O-N 3.43Å; Q150-L152 VanDerWaalsContact C-N 3.33Å; Q150-L152 PolarHBondContact O-N 3.38Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.27Å; L152-C155 WeakPolarHBondContact O-CB 3.45Å; L152-C155 PolarHBondContact O-N 3.42Å; L152-C155 VanDerWaalsContact O-N 3.1Å; L152-M156 PolarHBondContact O-N 2.67Å; L152-L188 HydrophobicContact CD2-CD1 3.41Å; L152-L188 VanDerWaalsContact CD2-CD1 3.41Å
153A91.5Very high90Very high54 Ų5498 Ų9845%0.44647%0.469SS..Hα-helixtrans-60.6-40.7177.800000111.8K149 Q150 M156 R157K149-A153 WeakPolarHBondContact O-CB 3.44Å; K149-A153 PolarHBondContact O-N 2.93Å; Q150-A153 PolarHBondContact O-N 2.81Å; A153-M156 PolarHBondContact O-N 3.12Å; A153-R157 PolarHBondContact O-N 3.43Å
154K90.8Very high90.5Very high130 Ų13095.3 Ų95.357%0.56546%0.456SS*.Hα-helixtrans-61.7-45.7172.9-174.5175.4-179.31770111.2Q150 K151 L152 M156 R157 V158Q150-K154 WeakPolarHBondContact O-CB 3.44Å; Q150-K154 PolarHBondContact O-N 3.38Å; K151-K154 PolarHBondContact O-N 3.19Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.27Å; K154-M156 VanDerWaalsContact C-N 3.35Å; K154-M156 PolarHBondContact O-N 2.64Å; K154-R157 PolarHBondContact O-N 3.03Å; K154-V158 VanDerWaalsContact O-CG2 3.28Å; K154-V158 WeakPolarHBondContact O-CG2 3.42Å; K154-V158 PolarHBondContact O-N 3.32Å
155C89.5Confident90.9Very high30 Ų3096.9 Ų96.920%0.20346%0.459CS..Hα-helixtrans-62.2-41.5177.7-66.50000112K151 L152 R157 V158 N159 R181K151-C155 PolarHBondContact O-N 2.99Å; K151-C155 PolarHBondContact O-SG 3.47Å; L152-C155 WeakPolarHBondContact O-CB 3.45Å; L152-C155 PolarHBondContact O-N 3.42Å; L152-C155 VanDerWaalsContact O-N 3.1Å; C155-R157 PolarHBondContact O-N 3.27Å; C155-V158 PolarHBondContact O-N 3.49Å; C155-N159 WeakPolarHBondContact O-CB 3.4Å; C155-N159 PolarHBondContact O-N 3.47Å; C155-R181 PolarHBondContact SG-NH1 3.25Å
156M89.4Confident91Very high153 Ų15396.2 Ų96.275%0.75445%0.448SS*.Hα-helixtrans-60.8-44.7176.5-173-179.6-176.400111.5L152 A153 K154 V158 N159L152-M156 PolarHBondContact O-N 2.67Å; A153-M156 PolarHBondContact O-N 3.12Å; K154-M156 VanDerWaalsContact C-N 3.35Å; K154-M156 PolarHBondContact O-N 2.64Å; M156-V158 VanDerWaalsContact C-N 3.32Å; M156-V158 PolarHBondContact O-N 3.03Å; M156-N159 PolarHBondContact O-N 3.4Å
157R89.9Confident91Very high137 Ų13795.2 Ų95.252%0.51744%0.44SS..Hα-helixtrans-63.7-36.9177-160.4-168.1-34110.45.5112.9A153 K154 C155 N159 R160A153-R157 PolarHBondContact O-N 3.43Å; K154-R157 PolarHBondContact O-N 3.03Å; C155-R157 PolarHBondContact O-N 3.27Å; R157-N159 VanDerWaalsContact C-N 3.31Å; R157-R160 WeakPolarHBondContact O-CD 3.38Å; R157-R160 WeakPolarHBondContact O-CG 3.47Å
158V89.8Confident91Very high48 Ų4891.6 Ų91.629%0.29143%0.433SS..Hα-helixtrans-73.8-24.5177.91730000111.7K154 C155 M156 R160 N177 K179K154-V158 VanDerWaalsContact O-CG2 3.28Å; K154-V158 WeakPolarHBondContact O-CG2 3.42Å; K154-V158 PolarHBondContact O-N 3.32Å; C155-V158 PolarHBondContact O-N 3.49Å; M156-V158 VanDerWaalsContact C-N 3.32Å; M156-V158 PolarHBondContact O-N 3.03Å; V158-R160 PolarHBondContact O-N 3.4Å; V158-N177 PolarHBondContact O-ND2 3.4Å; V158-K179 HydrophobicContact CG1-CB 3.4Å; V158-K179 VanDerWaalsContact CG1-CB 3.4Å; V158-K179 HydrophobicContact CG1-CD 4.44Å; V158-K179 WeakPolarHBondContact CG1-O 3.5Å
159N90.3Very high91.1Very high55 Ų5594.6 Ų94.629%0.29444%0.444SS..THydrogen-bonded Turntrans-73.722.1-177.3-152.826.6000114.8C155 M156 R157 R180 R181C155-N159 WeakPolarHBondContact O-CB 3.4Å; C155-N159 PolarHBondContact O-N 3.47Å; M156-N159 PolarHBondContact O-N 3.4Å; R157-N159 VanDerWaalsContact C-N 3.31Å; N159-R180 VanDerWaalsContact O-CZ 3.31Å; N159-R180 PolarHBondContact O-NE 2.94Å; N159-R180 PolarHBondContact O-NH2 3.15Å; N159-R180 VanDerWaalsContact OD1-CA 3.25Å; N159-R180 WeakPolarHBondContact OD1-CA 3.15Å; N159-R180 WeakPolarHBondContact OD1-CB 3.25Å; N159-R180 WeakPolarHBondContact OD1-CG 3.44Å; N159-R181 PolarHBondContact ND2-O 3.41Å; N159-R181 PolarHBondContact OD1-N 3.21Å; N159-R181 PolarHBondContact OD1-O 2.85Å
160R89.8Confident91.2Very high163 Ų16396.4 Ų96.462%0.61547%0.465SS*.PPolyproline II helixtrans-77.6145.4178.6-69.9174.1-177.9-175.1-1.6111.6R157 V158 N177R157-R160 WeakPolarHBondContact O-CD 3.38Å; R157-R160 WeakPolarHBondContact O-CG 3.47Å; V158-R160 PolarHBondContact O-N 3.4Å; R160-N177 PolarHBondContact O-ND2 3.35Å
161P92.4Very high91.2Very high79 Ų7994.7 Ų94.751%0.51348%0.476SS..PPolyproline II helixtrans-68.6161.6172.531.1-34.6000111.3
162V91.2Very high91Very high19 Ų1993.1 Ų93.112%0.11547%0.472CS..PPolyproline II helixtrans-69.2133.2172.8-177.70000108.7Y166 R167 Y176 N177V162-Y166 HydrophobicContact CG1-CD1 3.36Å; V162-Y166 HydrophobicContact CG1-CE1 4.14Å; V162-Y166 HydrophobicContact CG1-CG 3.99Å; V162-R167 HydrophobicContact CB-CG 4.45Å; V162-R167 HydrophobicContact CG1-CG 4.19Å; V162-Y176 VanDerWaalsContact CG2-C 3.48Å; V162-N177 HydrophobicContact CG2-CB 3.85Å
163P92.5Very high91.1Very high71 Ų71102.2 Ų102.246%0.46150%0.503SS..PPolyproline II helixtrans-56.4145177.1-26.335.3000112.8W165 Y166 R167P163-W165 PolarHBondContact O-N 3Å; P163-Y166 WeakPolarHBondContact O-CB 3.33Å; P163-Y166 PolarHBondContact O-N 3.29Å; P163-Y166 VanDerWaalsContact O-N 3.14Å; P163-R167 PolarHBondContact O-N 3.4Å
164Q93.2Very high91Very high102 Ų102104.1 Ų104.148%0.47751%0.505SS..Hα-helixtrans-59.9-46-174177.863-10.100113Y166 R167 M168Q164-Y166 PolarHBondContact O-N 2.93Å; Q164-R167 WeakPolarHBondContact O-CA 3.28Å; Q164-R167 WeakPolarHBondContact O-CB 3.35Å; Q164-R167 PolarHBondContact O-N 2.94Å; Q164-M168 HydrophobicContact CG-CE 4.1Å; Q164-M168 HydrophobicContact CG-CG 4.47Å; Q164-M168 HydrophobicContact CG-SD 4.15Å; Q164-M168 WeakPolarHBondContact O-CG 3.25Å; Q164-M168 PolarHBondContact O-N 2.94Å; Q164-M168 VanDerWaalsContact O-N 3.12Å
165W94.1Very high90.8Very high151 Ų151108.3 Ų108.357%0.57252%0.517SS*.Hα-helixtrans-58-32.1178.966.9-96.8000113P163 R167 M168 K169P163-W165 PolarHBondContact O-N 3Å; W165-R167 VanDerWaalsContact C-N 3.34Å; W165-M168 HydrophobicContact CB-CE 4.44Å; W165-M168 PolarHBondContact O-N 3.12Å; W165-K169 HydrophobicContact CE3-CD 4.5Å; W165-K169 HydrophobicContact CZ3-CD 4.25Å; W165-K169 VanDerWaalsContact CZ3-CE 3.43Å; W165-K169 PolarHBondContact O-N 2.94Å
166Y92Very high91Very high68 Ų68114.9 Ų114.927%0.26754%0.539SS..Hα-helixtrans-71.2-33.3176.8-175.1-87.5000111.5V162 P163 Q164 M168 N172 I174V162-Y166 HydrophobicContact CG1-CD1 3.36Å; V162-Y166 HydrophobicContact CG1-CE1 4.14Å; V162-Y166 HydrophobicContact CG1-CG 3.99Å; P163-Y166 WeakPolarHBondContact O-CB 3.33Å; P163-Y166 PolarHBondContact O-N 3.29Å; P163-Y166 VanDerWaalsContact O-N 3.14Å; Q164-Y166 PolarHBondContact O-N 2.93Å; Y166-M168 VanDerWaalsContact C-N 3.29Å; Y166-N172 PolarHBondContact O-ND2 2.89Å; Y166-I174 HydrophobicContact CE1-CB 4.19Å; Y166-I174 HydrophobicContact CE1-CG2 4.38Å
167R90.8Very high91Very high127 Ų127109.4 Ų109.448%0.47951%0.513SS..Hα-helixtrans-68.7-28.6172.8-62.2-171.4-71.1-145-1.3112.4V162 P163 Q164 W165V162-R167 HydrophobicContact CB-CG 4.45Å; V162-R167 HydrophobicContact CG1-CG 4.19Å; P163-R167 PolarHBondContact O-N 3.4Å; Q164-R167 WeakPolarHBondContact O-CA 3.28Å; Q164-R167 WeakPolarHBondContact O-CB 3.35Å; Q164-R167 PolarHBondContact O-N 2.94Å; W165-R167 VanDerWaalsContact C-N 3.34Å
168M90.9Very high91Very high127 Ų127106.9 Ų106.963%0.62652%0.521SS*.THydrogen-bonded Turntrans-85.1-5.8-178.7-62.4-171.8-57.500114.1Q164 W165 Y166Q164-M168 HydrophobicContact CG-CE 4.1Å; Q164-M168 HydrophobicContact CG-CG 4.47Å; Q164-M168 HydrophobicContact CG-SD 4.15Å; Q164-M168 WeakPolarHBondContact O-CG 3.25Å; Q164-M168 PolarHBondContact O-N 2.94Å; Q164-M168 VanDerWaalsContact O-N 3.12Å; W165-M168 HydrophobicContact CB-CE 4.44Å; W165-M168 PolarHBondContact O-N 3.12Å; Y166-M168 VanDerWaalsContact C-N 3.29Å
169K92.8Very high90.9Very high110 Ų110112.4 Ų112.448%0.47854%0.541SS..SBendtrans-67.8132.4176.8-76.6-172.9163.2-174.10111.7W165 N172W165-K169 HydrophobicContact CE3-CD 4.5Å; W165-K169 HydrophobicContact CZ3-CD 4.25Å; W165-K169 VanDerWaalsContact CZ3-CE 3.43Å; W165-K169 PolarHBondContact O-N 2.94Å; K169-N172 HydrophobicContact CB-CB 4.43Å; K169-N172 WeakPolarHBondContact CB-ND2 3.47Å; K169-N172 WeakPolarHBondContact O-CB 3.44Å; K169-N172 PolarHBondContact O-N 3.17Å
170T92.7Very high90.8Very high148 Ų148115.4 Ų115.491%0.90855%0.549SS*.THydrogen-bonded Turntrans-59.7138.1175.2-40.20000111.1N172T170-N172 VanDerWaalsContact C-N 3.3Å; T170-N172 PolarHBondContact O-N 3.35Å
171G92.1Very high90.6Very high73 Ų73111.9 Ų111.975%0.75354%0.535SS*.THydrogen-bonded Turntrans78.8-1.1179.900000115.9
172N86.9Confident90.3Very high62 Ų62113.3 Ų113.333%0.33254%0.535SS..  trans-79.5125.8178.3-93.5-6.3000113Y166 K169 T170Y166-N172 PolarHBondContact O-ND2 2.89Å; K169-N172 HydrophobicContact CB-CB 4.43Å; K169-N172 WeakPolarHBondContact CB-ND2 3.47Å; K169-N172 WeakPolarHBondContact O-CB 3.44Å; K169-N172 PolarHBondContact O-N 3.17Å; T170-N172 VanDerWaalsContact C-N 3.3Å; T170-N172 PolarHBondContact O-N 3.35Å
173R90.5Very high89.8Confident239 Ų239121.9 Ų121.990%0.90257%0.565SS**  trans-95.1-13.7174.4-63.1-176.5177.7-168.9-1.2114.2R175R173-R175 PolarHBondContact O-N 2.92Å
174I88.6Confident89.3Confident94 Ų94127 Ų12748%0.48258%0.575SS.*  trans-82.6104.5-174.5-59.7171.6000110.4Y166 Y176Y166-I174 HydrophobicContact CE1-CB 4.19Å; Y166-I174 HydrophobicContact CE1-CG2 4.38Å; I174-Y176 WeakPolarHBondContact CG2-O 3.35Å
175R88.4Confident88.8Confident218 Ų218130.9 Ų130.982%0.82359%0.585SS**  trans-94.6-23.7179.7-65.4-168.2176.3-171-0.3114.9R173R173-R175 PolarHBondContact O-N 2.92Å
176Y91.8Very high87.9Confident169 Ų169129.9 Ų129.966%0.66360%0.596SS**SBendtrans-133.2157.6-177.671-82.5000110.9V162 I174 A178V162-Y176 VanDerWaalsContact CG2-C 3.48Å; I174-Y176 WeakPolarHBondContact CG2-O 3.35Å; Y176-A178 HydrophobicContact CE2-CB 4.22Å; Y176-A178 PolarHBondContact O-N 2.7Å
177N91Very high87Confident38 Ų38135 Ų13520%0.20362%0.62CS.*  trans-83.1108.8174.8166.211000108.2V158 R160 V162 K179 R180V158-N177 PolarHBondContact O-ND2 3.4Å; R160-N177 PolarHBondContact O-ND2 3.35Å; V162-N177 HydrophobicContact CG2-CB 3.85Å; N177-K179 PolarHBondContact O-N 3.1Å; N177-K179 VanDerWaalsContact O-N 3.1Å; N177-K179 WeakPolarHBondContact OD1-CA 3.45Å; N177-K179 WeakPolarHBondContact OD1-CB 3.33Å; N177-K179 PolarHBondContact OD1-N 3.14Å; N177-R180 HydrophobicContact CB-CG 3.81Å; N177-R180 VanDerWaalsContact O-CB 3.25Å; N177-R180 WeakPolarHBondContact O-CB 3.43Å; N177-R180 WeakPolarHBondContact O-CG 3.45Å; N177-R180 PolarHBondContact O-N 3.44Å
178A88.5Confident86.1Confident84 Ų84132 Ų13269%0.69461%0.613SS**THydrogen-bonded Turntrans-59.4-20.4-179.200000113.9Y176 R180Y176-A178 HydrophobicContact CE2-CB 4.22Å; Y176-A178 PolarHBondContact O-N 2.7Å; A178-R180 VanDerWaalsContact C-N 3.31Å
179K87.7Confident85.2Confident163 Ų163135.2 Ų135.271%0.70962%0.624SS**THydrogen-bonded Turntrans-82.2-6.3176.1-55.6179.7178173.80113V158 N177V158-K179 HydrophobicContact CG1-CB 3.4Å; V158-K179 VanDerWaalsContact CG1-CB 3.4Å; V158-K179 HydrophobicContact CG1-CD 4.44Å; V158-K179 WeakPolarHBondContact CG1-O 3.5Å; N177-K179 PolarHBondContact O-N 3.1Å; N177-K179 VanDerWaalsContact O-N 3.1Å; N177-K179 WeakPolarHBondContact OD1-CA 3.45Å; N177-K179 WeakPolarHBondContact OD1-CB 3.33Å; N177-K179 PolarHBondContact OD1-N 3.14Å
180R88.5Confident84.2Confident119 Ų119134.6 Ų134.645%0.44963%0.625SS.*  trans-62.7148.4175.3-73.1-170.2105.4-1665.7111N159 N177 A178N159-R180 VanDerWaalsContact O-CZ 3.31Å; N159-R180 PolarHBondContact O-NE 2.94Å; N159-R180 PolarHBondContact O-NH2 3.15Å; N159-R180 VanDerWaalsContact OD1-CA 3.25Å; N159-R180 WeakPolarHBondContact OD1-CA 3.15Å; N159-R180 WeakPolarHBondContact OD1-CB 3.25Å; N159-R180 WeakPolarHBondContact OD1-CG 3.44Å; N177-R180 HydrophobicContact CB-CG 3.81Å; N177-R180 VanDerWaalsContact O-CB 3.25Å; N177-R180 WeakPolarHBondContact O-CB 3.43Å; N177-R180 WeakPolarHBondContact O-CG 3.45Å; N177-R180 PolarHBondContact O-N 3.44Å; A178-R180 VanDerWaalsContact C-N 3.31Å
181R85.5Confident83.8Confident88 Ų88134 Ų13433%0.33261%0.611SS.*  trans-105.4133.1172-69.9-169.3176.3-175-0109.1C155 N159C155-R181 PolarHBondContact SG-NH1 3.25Å; N159-R181 PolarHBondContact ND2-O 3.41Å; N159-R181 PolarHBondContact OD1-N 3.21Å; N159-R181 PolarHBondContact OD1-O 2.85Å
182H86Confident83.3Confident109 Ų109137.2 Ų137.251%0.50560%0.604SS.*  trans-77.5140.4175.1-174.566000110.6R184 R185H182-R184 VanDerWaalsContact C-N 3.33Å; H182-R184 PolarHBondContact CD2-N 3.28Å; H182-R184 WeakPolarHBondContact NE2-CG 3.48Å; H182-R184 PolarHBondContact O-N 3.29Å; H182-R185 WeakPolarHBondContact O-CB 3.5Å; H182-R185 PolarHBondContact O-N 3.38Å; H182-R185 VanDerWaalsContact O-N 3.1Å
183W81.9Confident83.1Confident199 Ų199141.3 Ų141.375%0.75462%0.619SS**THydrogen-bonded Turntrans-66.8-30.5-173.565-95.9000113.2R185W183-R185 PolarHBondContact O-N 2.86Å
184R81.4Confident82.7Confident179 Ų179135.6 Ų135.668%0.67560%0.602SS**THydrogen-bonded Turntrans-71.3-13.8174.3-60.6-178.8173.2-162.6-1.9113.7H182 T186H182-R184 VanDerWaalsContact C-N 3.33Å; H182-R184 PolarHBondContact CD2-N 3.28Å; H182-R184 WeakPolarHBondContact NE2-CG 3.48Å; H182-R184 PolarHBondContact O-N 3.29Å; R184-T186 PolarHBondContact O-N 3.37Å
185R83.6Confident82.3Confident183 Ų183138.2 Ų138.269%0.69161%0.609SS**  trans-80.5103.6-179.1-171.4179.6-100.2176.6-6.2109.3H182 W183H182-R185 WeakPolarHBondContact O-CB 3.5Å; H182-R185 PolarHBondContact O-N 3.38Å; H182-R185 VanDerWaalsContact O-N 3.1Å; W183-R185 PolarHBondContact O-N 2.86Å
186T74.4Confident81.9Confident130 Ų130132.9 Ų132.980%0.79860%0.595SS**  trans-73.8-34.4-178.154.60000113.3R184 L188R184-T186 PolarHBondContact O-N 3.37Å; T186-L188 PolarHBondContact O-N 2.86Å
187K74Confident81.2Confident176 Ų176130.3 Ų130.377%0.76559%0.59SS**  trans-75.693.1-179.8-64.8-163.7-177.7-175.50111.6
188L70.8Confident80.5Confident65 Ų65137.4 Ų137.434%0.3462%0.62SS.*  trans-74.7121.5157.4-52.7168.8000105.7L152 T186 L190L152-L188 HydrophobicContact CD2-CD1 3.41Å; L152-L188 VanDerWaalsContact CD2-CD1 3.41Å; T186-L188 PolarHBondContact O-N 2.86Å; L188-L190 HydrophobicContact CB-CD1 3.72Å; L188-L190 HydrophobicContact CB-CD2 4.48Å; L188-L190 HydrophobicContact CB-CG 3.57Å; L188-L190 HydrophobicContact CD1-CD1 3.66Å; L188-L190 HydrophobicContact CD1-CG 4.34Å; L188-L190 HydrophobicContact CG-CD1 4.37Å; L188-L190 PolarHBondContact O-N 3.35Å
189K71.2Confident79.8Confident194 Ų194141.8 Ų141.884%0.84361%0.614SS**  trans-64.567.6171.3-61.5-177.3177.6-172.40109.9
190L72.8Confident79.1Confident97 Ų97139.9 Ų139.951%0.50861%0.605SS.*  trans-93.10-174.6-76.4174.7000111I148 K151 L188I148-L190 HydrophobicContact CG2-CD1 3.87Å; I148-L190 HydrophobicContact CG2-CD2 4.28Å; K151-L190 HydrophobicContact CB-CD2 3.56Å; K151-L190 HydrophobicContact CD-CD2 3.63Å; K151-L190 HydrophobicContact CG-CD2 4.24Å; K151-L190 PolarHBondContact NZ-OXT 3.37Å; L188-L190 HydrophobicContact CB-CD1 3.72Å; L188-L190 HydrophobicContact CB-CD2 4.48Å; L188-L190 HydrophobicContact CB-CG 3.57Å; L188-L190 HydrophobicContact CD1-CD1 3.66Å; L188-L190 HydrophobicContact CD1-CG 4.34Å; L188-L190 HydrophobicContact CG-CD1 4.37Å; L188-L190 PolarHBondContact O-N 3.35Å

Retrieved 190 of 190 residues in 88.9 ms (Link to these results)