A0A087X1H1_HUMAN Loading...

Methyl-CpG binding domain protein 3

AlphaFold DB , UniProt , Accession A0A087X1H1, Species HUMAN (Homo sapiens, Human), Gene MBD3, Length 147 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
1M57Low78.7Confident231 Ų231109.4 Ų109.4100%1.13856%0.564SS**  0116.90-157.4121.7-176.300106.9
2D70.8Confident78.9Confident123 Ų123112.8 Ų112.866%0.65857%0.572SS**  trans-89.1119-177.4-174.3-1.5000109.8S4D2-S4 VanDerWaalsContact CG-OG 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.21Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.95Å; D2-S4 PolarHBondContact OD2-OG 2.9Å
3L77.9Confident79.1Confident92 Ų92111 Ų11148%0.48256%0.562SS.*  trans-107.111.7-178.9-61.4178.8000112.3T5 F6 F8L3-T5 PolarHBondContact O-N 2.63Å; L3-T5 VanDerWaalsContact O-N 3.08Å; L3-F6 HydrophobicContact CB-CB 4.36Å; L3-F6 HydrophobicContact CD2-CB 4.5Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.5Å; L3-F8 HydrophobicContact CD1-CZ 4.39Å
4S78.3Confident78.8Confident89 Ų89108.4 Ų108.462%0.62255%0.549SS*.THydrogen-bonded Turntrans-58.9-21.7-178.558.30000114.4D2D2-S4 VanDerWaalsContact CG-OG 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.21Å; D2-S4 PolarHBondContact OD1-N 3.37Å; D2-S4 PolarHBondContact OD1-OG 2.95Å; D2-S4 PolarHBondContact OD2-OG 2.9Å
5T81.2Confident77.8Confident34 Ų34109.1 Ų109.121%0.20955%0.552CS.*THydrogen-bonded Turntrans-103.44.7176.259.20000113.9L3 M13 L14 K17L3-T5 PolarHBondContact O-N 2.63Å; L3-T5 VanDerWaalsContact O-N 3.08Å; T5-M13 WeakPolarHBondContact O-CA 3.49Å; T5-M13 WeakPolarHBondContact OG1-CE 3.12Å; T5-L14 PolarHBondContact O-N 3.3Å; T5-K17 HydrophobicContact CG2-CB 4.27Å
6F83.2Confident76.7Confident67 Ų67108.4 Ų108.429%0.29456%0.56SS.*EExtended strand (participates in β ladder)trans-89.8124.1178.4-170.6-101.7000110.6L3 F8 M13L3-F6 HydrophobicContact CB-CB 4.36Å; L3-F6 HydrophobicContact CD2-CB 4.5Å; L3-F6 WeakPolarHBondContact O-CB 3.45Å; L3-F6 PolarHBondContact O-N 3.5Å; F6-F8 AromaticContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD2 4.12Å; F6-F8 AromaticContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE2 4.02Å; F6-F8 HydrophobicContact CD1-CG 4.03Å; F6-F8 AromaticContact CD1-CZ 3.81Å; F6-F8 HydrophobicContact CD1-CZ 3.81Å; F6-F8 AromaticContact CE1-CD1 3.77Å; F6-F8 HydrophobicContact CE1-CD1 3.77Å; F6-F8 AromaticContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CG 4.24Å; F6-F8 HydrophobicContact CE1-CZ 4.46Å; F6-M13 HydrophobicContact CB-SD 3.69Å; F6-M13 HydrophobicContact CD2-CG 4.05Å; F6-M13 HydrophobicContact CD2-SD 3.64Å; F6-M13 HydrophobicContact CG-SD 4.16Å
7D83.3Confident75.5Confident48 Ų48110.6 Ų110.626%0.25757%0.565SS.*EExtended strand (participates in β ladder)trans-92108.7174.9175.711.9000110.2R9 T10 G11 K12 L14D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 2.96Å; D7-R9 WeakPolarHBondContact OD1-CB 3.35Å; D7-R9 PolarHBondContact OD1-N 3.38Å; D7-T10 WeakPolarHBondContact CB-OG1 3.14Å; D7-T10 PolarHBondContact O-N 3.08Å; D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.5Å; D7-T10 PolarHBondContact OD2-OG1 2.93Å; D7-G11 WeakPolarHBondContact O-CA 3.48Å; D7-G11 PolarHBondContact O-N 2.84Å; D7-K12 WeakPolarHBondContact CB-O 3.42Å; D7-K12 PolarHBondContact N-O 2.79Å; D7-K12 PolarHBondContact O-N 3.34Å; D7-L14 HydrophobicContact CB-CD1 4.09Å; D7-L14 HydrophobicContact CB-CG 4.28Å
8F84.3Confident74.5Confident153 Ų153112.1 Ų112.167%0.67157%0.571SS**THydrogen-bonded Turntrans-69.6-20-178.8-69.3-85.5000113.9L3 F6L3-F8 HydrophobicContact CD1-CZ 4.39Å; F6-F8 AromaticContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD1 3.82Å; F6-F8 HydrophobicContact CD1-CD2 4.12Å; F6-F8 AromaticContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE1 3.71Å; F6-F8 HydrophobicContact CD1-CE2 4.02Å; F6-F8 HydrophobicContact CD1-CG 4.03Å; F6-F8 AromaticContact CD1-CZ 3.81Å; F6-F8 HydrophobicContact CD1-CZ 3.81Å; F6-F8 AromaticContact CE1-CD1 3.77Å; F6-F8 HydrophobicContact CE1-CD1 3.77Å; F6-F8 AromaticContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CE1 3.9Å; F6-F8 HydrophobicContact CE1-CG 4.24Å; F6-F8 HydrophobicContact CE1-CZ 4.46Å
9R79.4Confident73.4Confident238 Ų238113.7 Ų113.790%0.89858%0.581SS**THydrogen-bonded Turntrans-77.7-32.2178.3-167173.3-173.9-175.61.6111.8D7D7-R9 VanDerWaalsContact C-N 3.25Å; D7-R9 PolarHBondContact O-N 2.96Å; D7-R9 WeakPolarHBondContact OD1-CB 3.35Å; D7-R9 PolarHBondContact OD1-N 3.38Å
10T83.7Confident72.5Confident82 Ų82118.3 Ų118.350%0.50360%0.596SS.*THydrogen-bonded Turntrans-106.7-13.6-178.162.20000113.4D7 K12D7-T10 WeakPolarHBondContact CB-OG1 3.14Å; D7-T10 PolarHBondContact O-N 3.08Å; D7-T10 WeakPolarHBondContact OD2-CB 3.47Å; D7-T10 WeakPolarHBondContact OD2-CG2 3.5Å; D7-T10 PolarHBondContact OD2-OG1 2.93Å; T10-K12 VanDerWaalsContact C-N 3.28Å; T10-K12 PolarHBondContact O-N 3.17Å
11G86.3Confident71.1Confident46 Ų46117.4 Ų117.447%0.47460%0.602SS.*THydrogen-bonded Turntrans69.623.1-176.300000113.4D7D7-G11 WeakPolarHBondContact O-CA 3.48Å; D7-G11 PolarHBondContact O-N 2.84Å
12K81.4Confident70.8Confident151 Ų151118.1 Ų118.166%0.65759%0.591SS**EExtended strand (participates in β ladder)trans-126.5151.1-172.3-64.2-176.1-176.2-178.10112.3D7 T10D7-K12 WeakPolarHBondContact CB-O 3.42Å; D7-K12 PolarHBondContact N-O 2.79Å; D7-K12 PolarHBondContact O-N 3.34Å; T10-K12 VanDerWaalsContact C-N 3.28Å; T10-K12 PolarHBondContact O-N 3.17Å
13M81Confident69.4Low89 Ų89120 Ų12044%0.43860%0.596SS.*EExtended strand (participates in β ladder)trans-81127174.4-68.4-72-82.800110.7T5 F6 M15T5-M13 WeakPolarHBondContact O-CA 3.49Å; T5-M13 WeakPolarHBondContact OG1-CE 3.12Å; F6-M13 HydrophobicContact CB-SD 3.69Å; F6-M13 HydrophobicContact CD2-CG 4.05Å; F6-M13 HydrophobicContact CD2-SD 3.64Å; F6-M13 HydrophobicContact CG-SD 4.16Å; M13-M15 HydrophobicContact CB-CE 3.59Å; M13-M15 PolarHBondContact O-N 3.38Å
14L75.9Confident68.1Low75 Ų75127.9 Ų127.939%0.39362%0.62SS.*  trans-75.990.5177.7-75.2158.2000110.6T5 D7 S16 K17T5-L14 PolarHBondContact O-N 3.3Å; D7-L14 HydrophobicContact CB-CD1 4.09Å; D7-L14 HydrophobicContact CB-CG 4.28Å; L14-S16 PolarHBondContact O-N 3.06Å; L14-K17 PolarHBondContact O-N 2.8Å
15M63.4Low66.3Low118 Ų118129.3 Ų129.358%0.58162%0.624SS**G310 helixtrans-61.5-21.3179.9-64.4-69.693.100114.1M13 K17 M18M13-M15 HydrophobicContact CB-CE 3.59Å; M13-M15 PolarHBondContact O-N 3.38Å; M15-K17 VanDerWaalsContact C-N 3.29Å; M15-K17 PolarHBondContact O-N 3.21Å; M15-M18 PolarHBondContact O-N 3.4Å; M15-M18 HydrophobicContact SD-CE 4.44Å
16S60.7Low64.7Low99 Ų99138.6 Ų138.669%0.69266%0.656SS**G310 helixtrans-70.6-20.7-179.763.80000114L14L14-S16 PolarHBondContact O-N 3.06Å
17K56.4Low63.1Low146 Ų146146.5 Ų146.564%0.63569%0.685SS**G310 helixtrans-95.10.1176.5-69.9-170178.1179.40113.6T5 L14 M15 N19T5-K17 HydrophobicContact CG2-CB 4.27Å; L14-K17 PolarHBondContact O-N 2.8Å; M15-K17 VanDerWaalsContact C-N 3.29Å; M15-K17 PolarHBondContact O-N 3.21Å; K17-N19 PolarHBondContact O-N 2.74Å
18M57.1Low60.9Low136 Ų136150.5 Ų150.567%0.6771%0.706SS**  trans-77.463.5173-166.1173.465.200110M15 K20M15-M18 PolarHBondContact O-N 3.4Å; M15-M18 HydrophobicContact SD-CE 4.44Å; M18-K20 PolarHBondContact O-N 3.31Å
19N53Low58.7Low144 Ų144149.2 Ų149.277%0.7772%0.717SS**  trans-71.1124.3171.3-82-37000108.9K17 S21K17-N19 PolarHBondContact O-N 2.74Å; N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 2.86Å
20K54.9Low57.2Low204 Ų204141.9 Ų141.989%0.88770%0.702SS**  trans-67.783.4-172.1-153.7164.8-169157.50110.5M18 R22M18-K20 PolarHBondContact O-N 3.31Å; K20-R22 PolarHBondContact O-N 3.16Å; K20-R22 VanDerWaalsContact O-N 3.16Å
21S43.3Very low55.1Low101 Ų101145.5 Ų145.571%0.70672%0.718SS**  trans-71.2106164.9-176.10000108.4N19 Q23N19-S21 VanDerWaalsContact C-N 3.35Å; N19-S21 PolarHBondContact O-N 2.86Å; S21-Q23 PolarHBondContact O-N 2.9Å
22R50.9Low53.3Low245 Ų245152.7 Ų152.793%0.92574%0.739SS**  trans-66.783.3167-87179.3173.5172.6-0.7108.7K20K20-R22 PolarHBondContact O-N 3.16Å; K20-R22 VanDerWaalsContact O-N 3.16Å
23Q42.4Very low51.6Low163 Ų163151.4 Ų151.476%0.76274%0.744SS**  trans-119.1104.9154.8-112.3179.1-10.400108.1S21 V25S21-Q23 PolarHBondContact O-N 2.9Å; Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-V25 PolarHBondContact O-N 2.98Å
24R50.7Low50.1Low258 Ų258156.5 Ų156.597%0.97476%0.764SS**  trans-64.296.1169.3-79.7-179169.8169.8-3.5107.8
25V39.8Very low48.4Very low118 Ų118156.6 Ų156.672%0.71578%0.783SS**  trans-124.4115.9162.9-176.80000108Q23Q23-V25 VanDerWaalsContact C-N 3.35Å; Q23-V25 PolarHBondContact O-N 2.98Å
26R47.4Very low48Very low230 Ų230160 Ų16087%0.86879%0.794SS**  trans0.6129.9157.8-65-172.3-179.71791.3118.3
27Y50.8Low47.4Very low233 Ų233160.1 Ų160.191%0.91479%0.793SS**  trans62.398.7133.7-132.7-89000117.6
28D36.8Very low47.3Very low131 Ų131159.9 Ų159.970%0.70180%0.798SS**  trans-165.8105.4130.6-168.99.1000108.5S30D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.46Å
29S37.3Very low47.2Very low127 Ų127159.8 Ų159.889%0.88880%0.8SS**  trans-93.269.8174.7-81.50000109.3N31S29-N31 PolarHBondContact O-N 3.32Å
30S47.9Very low47.2Very low84 Ų84158.6 Ų158.659%0.58779%0.794SS**  trans-90.282.216047.50000109D28D28-S30 VanDerWaalsContact C-N 3.32Å; D28-S30 PolarHBondContact O-N 3.46Å
31N39.1Very low47Very low157 Ų157155.1 Ų155.184%0.8479%0.789SS**  trans-163.799.7151.3-103.1-16.8000111.2S29 V33S29-N31 PolarHBondContact O-N 3.32Å; N31-V33 PolarHBondContact O-N 3.23Å
32Q48.6Very low48Very low197 Ų197153.6 Ų153.692%0.92178%0.783SS**  trans-72.199.4163.4-69.4-15134.600109.8
33V45.5Very low48.3Very low124 Ų124149 Ų14975%0.75278%0.776SS**SBendtrans-145.7116.6148178.80000107N31N31-V33 PolarHBondContact O-N 3.23Å
34K49.9Very low49Very low197 Ų197147 Ų14786%0.85778%0.777SS**SBendtrans64.966.4179.2-60.1178.2-177.4-176.70114.4K36K34-K36 PolarHBondContact O-N 2.93Å
35G41.4Very low49.7Very low77 Ų77141.1 Ų141.179%0.79477%0.769SS**  trans-64.992172.300000112.2
36K53.2Low50.5Low188 Ų188145.3 Ų145.382%0.81777%0.772SS**  trans-62.2125.1139.7-80.8179161.1-177.20105.7K34 D38K34-K36 PolarHBondContact O-N 2.93Å; K36-D38 PolarHBondContact O-N 2.86Å
37P48.7Very low51.3Low103 Ų103143.9 Ų143.967%0.66978%0.776SS**  trans-59.4113.6159.725.7-29.2000105L39P37-L39 HydrophobicContact CB-CD1 4.03Å; P37-L39 PolarHBondContact O-N 2.97Å
38D54.7Low51.8Low141 Ų141136.4 Ų136.475%0.75475%0.754SS**  trans-6875.6167.9-170.811.8000106.3K36 N40K36-D38 PolarHBondContact O-N 2.86Å; D38-N40 PolarHBondContact O-N 3.18Å
39L54.5Low53Low134 Ų134135.3 Ų135.370%0.70276%0.763SS**  trans-68.186.4162.9-114.276.2000104P37 T41P37-L39 HydrophobicContact CB-CD1 4.03Å; P37-L39 PolarHBondContact O-N 2.97Å; L39-T41 PolarHBondContact O-N 2.95Å; L39-T41 PolarHBondContact O-OG1 2.84Å
40N53.8Low54.4Low119 Ų119132 Ų13264%0.63674%0.74SS**  trans-50.694.9173.2-151.9-45.6000106.7D38 A42D38-N40 PolarHBondContact O-N 3.18Å; N40-A42 PolarHBondContact O-N 3.17Å; N40-A42 VanDerWaalsContact OD1-CB 3.25Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å
41T51.3Low55.3Low130 Ų130135.7 Ų135.780%0.79875%0.752SS**  trans-81.63.9-174.1-21.90000110L39 L43L39-T41 PolarHBondContact O-N 2.95Å; L39-T41 PolarHBondContact O-OG1 2.84Å; T41-L43 PolarHBondContact O-N 2.9Å
42A62.8Low56.6Low69 Ų69136.7 Ų136.757%0.5775%0.749SS**SBendtrans-59.7111.3170.100000107.5N40N40-A42 PolarHBondContact O-N 3.17Å; N40-A42 VanDerWaalsContact OD1-CB 3.25Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å
43L57.3Low57.5Low150 Ų150137.5 Ų137.579%0.78575%0.749SS**PPolyproline II helixtrans-51.2134174.6-65.7171.7000108.2T41 V45T41-L43 PolarHBondContact O-N 2.9Å; L43-V45 PolarHBondContact O-N 2.84Å
44P58.4Low58.9Low120 Ų120138.4 Ų138.478%0.77975%0.746SS**PPolyproline II helixtrans-50.2121.1178.3-25.331.8000109.6R46P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.16Å
45V64Low60.2Low134 Ų134135.5 Ų135.581%0.81275%0.747SS**PPolyproline II helixtrans-64.5120.1173.9174.70000106.6L43 Q47L43-V45 PolarHBondContact O-N 2.84Å; V45-Q47 PolarHBondContact O-N 3.27Å
46R56.5Low61.6Low206 Ų206138.1 Ų138.178%0.77775%0.747SS**  trans-59113177-78.7-177.6167.5-118.8-2.1108.9P44 T48P44-R46 PolarHBondContact O-N 3.1Å; P44-R46 VanDerWaalsContact O-N 3.16Å; R46-T48 HydrophobicContact CB-CG2 4.13Å; R46-T48 PolarHBondContact O-N 3.28Å
47Q64.1Low62.9Low200 Ų200135.1 Ų135.194%0.93575%0.745SS**  trans-77.345.6165-66.5-173-34.100110.3V45V45-Q47 PolarHBondContact O-N 3.27Å
48T61.7Low64Low76 Ų76138.9 Ų138.947%0.46675%0.75SS.*  trans-85.2132.4174.6520000108.8R46 S50R46-T48 HydrophobicContact CB-CG2 4.13Å; R46-T48 PolarHBondContact O-N 3.28Å; T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.08Å
49A63.2Low65Low108 Ų108139.2 Ų139.289%0.89375%0.751SS**SBendtrans-61.9-16.4179.900000113.8
50S66.2Low65.8Low57 Ų57136.3 Ų136.340%0.39974%0.738SS.*  trans-95.4116.2179-168.70000111.9T48T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.08Å
51I67.3Low66.3Low162 Ų162137.2 Ų137.283%0.83174%0.744SS**  trans-90.4-14.5177.1-42.7171.3000110.5
52F65.5Low66.9Low178 Ų178137 Ų13778%0.78173%0.733SS**SBendtrans-79.2133.4-179.9-66.5-74000110.4Q54F52-Q54 PolarHBondContact O-N 3.3Å
53K66.9Low67.1Low214 Ų214140 Ų14093%0.9375%0.747SS**  trans-6896.7177.9-64.6-163.7-178.4-172.70109.5
54Q75.9Confident67.7Low144 Ų144137.9 Ų137.967%0.67375%0.745SS**  trans-80.3141.9164.6-68-176.3-4800109F52 V56F52-Q54 PolarHBondContact O-N 3.3Å; Q54-V56 PolarHBondContact O-N 2.94Å
55P77.2Confident67.7Low135 Ų135137.6 Ų137.688%0.87774%0.736SS**  trans-61.7130.5173.825.3-31.9000109.6
56V71.2Confident67.9Low133 Ų133140.4 Ų140.481%0.80674%0.738SS**  trans-119.8132.8176-174.20000108.9Q54Q54-V56 PolarHBondContact O-N 2.94Å
57T80.8Confident68.2Low125 Ų125136 Ų13677%0.76773%0.733SS**  trans-83120.3175.6-51.20000110.2I59T57-I59 HydrophobicContact CG2-CG1 4.49Å; T57-I59 PolarHBondContact O-N 3.4Å
58K70.4Confident68.1Low181 Ų181135.6 Ų135.679%0.78773%0.729SS**  trans-83106173.3-176-174.9176.9-173.10109.4
59I75.2Confident68Low148 Ų148137.6 Ų137.676%0.75975%0.745SS**  trans-87.9129.2170.7-56.5175.7000108.1T57T57-I59 HydrophobicContact CG2-CG1 4.49Å; T57-I59 PolarHBondContact O-N 3.4Å
60T71.2Confident67.6Low73 Ų73135.9 Ų135.945%0.44872%0.721SS.*  trans-134.5122.8177.3149.40000108.7H62T60-H62 PolarHBondContact O-N 2.69Å; T60-H62 PolarHBondContact OG1-N 2.73Å; T60-H62 PolarHBondContact OG1-O 3.25Å
61N65.8Low67.1Low139 Ų139138.6 Ų138.674%0.74374%0.738SS**SBendtrans-68.6-17.9-178.7-67-14.2000113.1
62H63.5Low66.7Low126 Ų126138.8 Ų138.858%0.58374%0.735SS**  trans-136.499.7-176.4-60.2-62.1000111.2T60 S64 N65T60-H62 PolarHBondContact O-N 2.69Å; T60-H62 PolarHBondContact OG1-N 2.73Å; T60-H62 PolarHBondContact OG1-O 3.25Å; H62-S64 PolarHBondContact O-N 2.87Å; H62-S64 VanDerWaalsContact O-N 3.11Å; H62-N65 HydrophobicContact CB-CB 4.3Å; H62-N65 WeakPolarHBondContact O-CB 3.28Å; H62-N65 PolarHBondContact O-N 2.82Å; H62-N65 VanDerWaalsContact O-N 3.1Å
63P65.9Low66.2Low132 Ų132138.9 Ų138.986%0.85774%0.735SS**THydrogen-bonded Turntrans-63.2-19.7-172.813.2-20.3000114.7
64S69.8Low65.6Low105 Ų105132.4 Ų132.473%0.73472%0.722SS**THydrogen-bonded Turntrans-91.73.5178.258.30000114.4H62 K66H62-S64 PolarHBondContact O-N 2.87Å; H62-S64 VanDerWaalsContact O-N 3.11Å; S64-K66 PolarHBondContact O-N 3.04Å
65N60Low64.9Low113 Ų113131.7 Ų131.760%0.60473%0.727SS**  trans-68.993-175.1-167.821.5000111.6H62 V67H62-N65 HydrophobicContact CB-CB 4.3Å; H62-N65 WeakPolarHBondContact O-CB 3.28Å; H62-N65 PolarHBondContact O-N 2.82Å; H62-N65 VanDerWaalsContact O-N 3.1Å; N65-V67 PolarHBondContact O-N 3.16Å; N65-V67 VanDerWaalsContact O-N 3.1Å
66K67.9Low64.2Low194 Ų194131.2 Ų131.284%0.84372%0.717SS**  trans-77.389.2170.7-64.9-169.4-178.2-175.70108.8S64 K68S64-K66 PolarHBondContact O-N 3.04Å; K66-K68 PolarHBondContact O-N 3.14Å; K66-K68 VanDerWaalsContact O-N 3.12Å
67V62.5Low64Low112 Ų112132.8 Ų132.868%0.67972%0.715SS**  trans-62.1114.7166.5-179.10000106.9N65 S69N65-V67 PolarHBondContact O-N 3.16Å; N65-V67 VanDerWaalsContact O-N 3.1Å; V67-S69 PolarHBondContact O-N 3.02Å
68K61.3Low63.3Low193 Ų193132.8 Ų132.884%0.83972%0.717SS**  trans-59.9108.9172.4-71.6-177.9-179.5177.40107.1K66 D70K66-K68 PolarHBondContact O-N 3.14Å; K66-K68 VanDerWaalsContact O-N 3.12Å; K68-D70 PolarHBondContact O-N 2.99Å
69S60.8Low63.2Low117 Ų117134 Ų13482%0.81872%0.717SS**  trans-74.4-6.9-178.654.70000113.1V67 P71V67-S69 PolarHBondContact O-N 3.02Å; S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.31Å
70D53.7Low63.4Low73 Ų73133 Ų13339%0.3971%0.709SS.*  trans-108.699.2-176.6-1694.9000111K68 Q72K68-D70 PolarHBondContact O-N 2.99Å; D70-Q72 PolarHBondContact O-N 3.16Å; D70-Q72 VanDerWaalsContact OD1-CB 3.27Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CG 3.37Å; D70-Q72 PolarHBondContact OD1-N 3.08Å
71P56.5Low63.5Low114 Ų114136 Ų13674%0.7472%0.722SS**G310 helixtrans-66.8-8.7174.424.6-30.7000113.2S69 K73S69-P71 VanDerWaalsContact O-CD 3.27Å; S69-P71 WeakPolarHBondContact O-CD 3.31Å; P71-K73 VanDerWaalsContact C-N 3.34Å; P71-K73 PolarHBondContact O-N 3.11Å
72Q58.2Low63.9Low165 Ų165136.9 Ų136.977%0.77172%0.719SS**G310 helixtrans-75.3-17.2-177.5-63.9-169-36.100114.3D70D70-Q72 PolarHBondContact O-N 3.16Å; D70-Q72 VanDerWaalsContact OD1-CB 3.27Å; D70-Q72 WeakPolarHBondContact OD1-CB 3.41Å; D70-Q72 WeakPolarHBondContact OD1-CG 3.37Å; D70-Q72 PolarHBondContact OD1-N 3.08Å
73K54.6Low64.5Low180 Ų180134.6 Ų134.678%0.78371%0.706SS**G310 helixtrans-96.20.5-178.1-83.5-170.6-179.1-176.50115.8P71 V75P71-K73 VanDerWaalsContact C-N 3.34Å; P71-K73 PolarHBondContact O-N 3.11Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 PolarHBondContact O-N 2.89Å
74A56.3Low64.9Low79 Ų79132.5 Ų132.565%0.65368%0.684SS**  trans-85.876.616500000108.2D76A74-D76 PolarHBondContact O-N 3.5Å
75V59.7Low65.3Low129 Ų129135.3 Ų135.378%0.78268%0.683SS**  trans-65.1-26.8176.6179.70000110.6K73K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 PolarHBondContact O-N 2.89Å
76D64.1Low66.3Low124 Ų124137.6 Ų137.666%0.66369%0.688SS**SBendtrans-88.6126.8178.7-66.9-44.4000111.9A74A74-D76 PolarHBondContact O-N 3.5Å
77Q66.6Low66.7Low166 Ų166132.7 Ų132.778%0.77667%0.67SS**PPolyproline II helixtrans-56.5135169.2-164.8172.763.400108.9R79Q77-R79 PolarHBondContact O-N 3.41Å; Q77-R79 VanDerWaalsContact O-N 3.08Å
78P66.1Low67.5Low125 Ų125131.3 Ų131.381%0.81267%0.666SS**PPolyproline II helixtrans-56.2120.617822.1-32.7000109.7
79R68.2Low68.5Low206 Ų206125.7 Ų125.778%0.77766%0.662SS**PPolyproline II helixtrans-92.4126.2178.8-65.3-179.4-178.4-104.71.1109.2Q77 L81Q77-R79 PolarHBondContact O-N 3.41Å; Q77-R79 VanDerWaalsContact O-N 3.08Å; R79-L81 HydrophobicContact CB-CD2 4.42Å; R79-L81 PolarHBondContact O-N 3.42Å
80Q78.4Confident69.7Low129 Ų129125.9 Ų125.960%0.60365%0.654SS**  trans-78.6101.3174.2-170.4174.6-43.700108.7W83Q80-W83 HydrophobicContact CB-CB 4.46Å; Q80-W83 HydrophobicContact CG-CB 3.82Å
81L73.1Confident71.2Confident135 Ų135126.5 Ų126.571%0.70766%0.657SS**THydrogen-bonded Turntrans-80.4-21.6-175.4-61.9175.4000114R79R79-L81 HydrophobicContact CB-CD2 4.42Å; R79-L81 PolarHBondContact O-N 3.42Å
82F75.9Confident72.7Confident158 Ų158124 Ų12469%0.69365%0.646SS**THydrogen-bonded Turntrans-114.122.5-173.1-59-73.2000113.3E84 K85 K86F82-E84 VanDerWaalsContact C-N 3.29Å; F82-E84 PolarHBondContact O-N 2.87Å; F82-K85 PolarHBondContact O-N 2.75Å; F82-K86 PolarHBondContact O-N 3.21Å; F82-K86 VanDerWaalsContact O-N 3.12Å
83W75.5Confident74.2Confident78 Ų78122 Ų12230%0.29564%0.635SS.*Hα-helixtrans-61.7-39.6179.970.4-77.5000111.9Q80 K85 K86 L87Q80-W83 HydrophobicContact CB-CB 4.46Å; Q80-W83 HydrophobicContact CG-CB 3.82Å; W83-K85 VanDerWaalsContact C-N 3.33Å; W83-K85 PolarHBondContact O-N 2.91Å; W83-K86 WeakPolarHBondContact O-CA 3.36Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.92Å; W83-L87 HydrophobicContact CE3-CD1 3.66Å; W83-L87 HydrophobicContact CZ3-CD1 3.89Å; W83-L87 WeakPolarHBondContact O-CG 3.37Å; W83-L87 PolarHBondContact O-N 3.38Å
84E73.9Confident76Confident88 Ų88117 Ų11741%0.41162%0.617SS.*Hα-helixtrans-57.7-44.9176.2-63.4173.9-178.900111.5F82 K86 L87 S88F82-E84 VanDerWaalsContact C-N 3.29Å; F82-E84 PolarHBondContact O-N 2.87Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; E84-L87 PolarHBondContact O-N 2.93Å; E84-S88 PolarHBondContact O-N 2.95Å
85K78.4Confident77.8Confident163 Ų163121.7 Ų121.771%0.70963%0.629SS**Hα-helixtrans-66.5-29.1175.5-172.8166.6-173.9166.10113.1F82 W83 L87 S88F82-K85 PolarHBondContact O-N 2.75Å; W83-K85 VanDerWaalsContact C-N 3.33Å; W83-K85 PolarHBondContact O-N 2.91Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-S88 PolarHBondContact O-OG 2.92Å
86K80Confident79.5Confident162 Ų162118.7 Ų118.770%0.70462%0.618SS**Hα-helixtrans-72.6-32175.7-171.5-179.6176.9-176.40111.7F82 W83 E84F82-K86 PolarHBondContact O-N 3.21Å; F82-K86 VanDerWaalsContact O-N 3.12Å; W83-K86 WeakPolarHBondContact O-CA 3.36Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.92Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å
87L77.3Confident80.8Confident90 Ų90120.9 Ų120.947%0.47162%0.624SS.*Hα-helixtrans-92.7-8.5-179.2-59.6-178.3000113.2W83 E84 K85 G89 L90W83-L87 HydrophobicContact CE3-CD1 3.66Å; W83-L87 HydrophobicContact CZ3-CD1 3.89Å; W83-L87 WeakPolarHBondContact O-CG 3.37Å; W83-L87 PolarHBondContact O-N 3.38Å; E84-L87 PolarHBondContact O-N 2.93Å; K85-L87 VanDerWaalsContact C-N 3.34Å; L87-G89 PolarHBondContact O-N 3.34Å; L87-L90 HydrophobicContact CD2-CD1 3.86Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 2.76Å; L87-L90 VanDerWaalsContact O-N 3.11Å
88S79.8Confident82.1Confident84 Ų84119.4 Ų119.459%0.58762%0.617SS**THydrogen-bonded Turntrans-58.7129.3178.767.10000111.4E84 K85 L90E84-S88 PolarHBondContact O-N 2.95Å; K85-S88 PolarHBondContact O-OG 2.92Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.28Å
89G81.5Confident83.2Confident74 Ų74118.4 Ų118.476%0.76361%0.605SS**THydrogen-bonded Turntrans81.21.7179.900000114.7L87L87-G89 PolarHBondContact O-N 3.34Å
90L85.6Confident84.1Confident121 Ų121112 Ų11263%0.63459%0.588SS**  trans-83.8132.5168.2-61.2-177.3000109.7L87 S88L87-L90 HydrophobicContact CD2-CD1 3.86Å; L87-L90 WeakPolarHBondContact O-CB 3.25Å; L87-L90 PolarHBondContact O-N 2.76Å; L87-L90 VanDerWaalsContact O-N 3.11Å; S88-L90 VanDerWaalsContact C-N 3.28Å; S88-L90 PolarHBondContact O-N 3.28Å
91N86.1Confident84.4Confident87 Ų87113.3 Ų113.347%0.46559%0.592SS.*  trans-121.1142.9177.7-75-51000109.7F93 L99N91-F93 HydrophobicContact CB-CD2 4.39Å; N91-F93 HydrophobicContact CB-CE2 3.66Å; N91-F93 HydrophobicContact CB-CZ 4.01Å; N91-F93 WeakPolarHBondContact O-CD2 3.41Å; N91-L99 HydrophobicContact CB-CD1 3.53Å
92A87.1Confident84.8Confident62 Ų62110.8 Ų110.851%0.51258%0.582SS.*  trans-83.5131.8172.300000109.2V100A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.15Å; A92-V100 WeakPolarHBondContact O-CB 3.36Å; A92-V100 PolarHBondContact O-N 3.33Å
93F91.1Very high85.2Confident123 Ų123109.6 Ų109.654%0.53958%0.58SS.*BIsolated β-bridgetrans-118.9146.7174.2-65.1-90.4000109.1N91 E97 E98 L99N91-F93 HydrophobicContact CB-CD2 4.39Å; N91-F93 HydrophobicContact CB-CE2 3.66Å; N91-F93 HydrophobicContact CB-CZ 4.01Å; N91-F93 WeakPolarHBondContact O-CD2 3.41Å; F93-E97 WeakPolarHBondContact CD1-O 3.38Å; F93-E98 CarbonylContact C-O 3.59Å; F93-E98 VanDerWaalsContact CA-O 3.28Å; F93-E98 WeakPolarHBondContact CA-O 3.49Å; F93-L99 HydrophobicContact CD1-CB 4.43Å; F93-L99 HydrophobicContact CE1-CB 4.17Å; F93-L99 HydrophobicContact CE1-CD1 4.2Å; F93-L99 HydrophobicContact CZ-CD1 4.25Å
94D92.2Very high85.7Confident74 Ų74111 Ų11140%0.39659%0.594SS.*  trans-84.5-173.617578.3-0.5000111.9A96 E97 E98 V100D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.31Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.29Å; D94-A96 PolarHBondContact OD1-N 2.95Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.1Å; D94-E97 PolarHBondContact OD1-N 2.97Å; D94-E97 VanDerWaalsContact OD1-N 3.17Å; D94-E98 PolarHBondContact N-O 2.78Å; D94-E98 PolarHBondContact OD1-N 3.48Å; D94-V100 HydrophobicContact CB-CG2 4.21Å
95I94.4Very high86.3Confident177 Ų177108.1 Ų108.191%0.90858%0.581SS**THydrogen-bonded Turntrans-64.2-26.4-179.3117.9172.9000111.8
96A95.3Very high86.8Confident66 Ų66103.7 Ų103.755%0.54557%0.569SS.*THydrogen-bonded Turntrans-88.59.3179.300000112.3D94 E98D94-A96 PolarHBondContact O-N 3.38Å; D94-A96 VanDerWaalsContact OD1-CA 3.31Å; D94-A96 WeakPolarHBondContact OD1-CA 3.43Å; D94-A96 WeakPolarHBondContact OD1-CB 3.29Å; D94-A96 PolarHBondContact OD1-N 2.95Å; A96-E98 HydrophobicContact CB-CG 4.3Å; A96-E98 PolarHBondContact O-N 3.01Å
97E90.4Very high86.9Confident170 Ų170106.5 Ų106.579%0.79458%0.581SS**SBendtrans61.121.1-174.4-53.9-176163.800113.2F93 D94F93-E97 WeakPolarHBondContact CD1-O 3.38Å; D94-E97 PolarHBondContact O-N 3.46Å; D94-E97 VanDerWaalsContact O-N 3.1Å; D94-E97 PolarHBondContact OD1-N 2.97Å; D94-E97 VanDerWaalsContact OD1-N 3.17Å
98E92.9Very high87.2Confident135 Ų135106 Ų10663%0.63160%0.598SS**PPolyproline II helixtrans-84.2138.7174.1-64.9-164.4167.100110.4F93 D94 A96 V100F93-E98 CarbonylContact C-O 3.59Å; F93-E98 VanDerWaalsContact CA-O 3.28Å; F93-E98 WeakPolarHBondContact CA-O 3.49Å; D94-E98 PolarHBondContact N-O 2.78Å; D94-E98 PolarHBondContact OD1-N 3.48Å; A96-E98 HydrophobicContact CB-CG 4.3Å; A96-E98 PolarHBondContact O-N 3.01Å; E98-V100 PolarHBondContact O-N 3.11Å
99L89.3Confident87.5Confident105 Ų105106 Ų10655%0.5559%0.591SS.*BIsolated β-bridgetrans-62.2119.5177.1178.867.9000109.3N91 F93 K101N91-L99 HydrophobicContact CB-CD1 3.53Å; F93-L99 HydrophobicContact CD1-CB 4.43Å; F93-L99 HydrophobicContact CE1-CB 4.17Å; F93-L99 HydrophobicContact CE1-CD1 4.2Å; F93-L99 HydrophobicContact CZ-CD1 4.25Å; L99-K101 PolarHBondContact O-N 2.91Å; L99-K101 VanDerWaalsContact O-N 3.14Å
100V88.4Confident87.8Confident70 Ų70110.3 Ų110.342%0.42459%0.591SS.*PPolyproline II helixtrans-67.8116.3174.91790000108.1A92 D94 E98 T102A92-V100 HydrophobicContact CB-CB 3.99Å; A92-V100 HydrophobicContact CB-CG2 4.15Å; A92-V100 WeakPolarHBondContact O-CB 3.36Å; A92-V100 PolarHBondContact O-N 3.33Å; D94-V100 HydrophobicContact CB-CG2 4.21Å; E98-V100 PolarHBondContact O-N 3.11Å; V100-T102 PolarHBondContact O-N 3.5Å; V100-T102 VanDerWaalsContact O-N 3.16Å
101K83.8Confident87.8Confident157 Ų157105.6 Ų105.668%0.68357%0.571SS**PPolyproline II helixtrans-60.4121.1178.2-177173.2178.9-173.80109.8L99 D104L99-K101 PolarHBondContact O-N 2.91Å; L99-K101 VanDerWaalsContact O-N 3.14Å; K101-D104 WeakPolarHBondContact CE-OD2 3.42Å; K101-D104 IonicContact NZ-OD2 2.82Å; K101-D104 PolarHBondContact NZ-OD2 3.43Å
102T81Confident87.6Confident83 Ų83105.4 Ų105.451%0.50957%0.573SS.*PPolyproline II helixtrans-74.9163.5170.644.30000110.9V100V100-T102 PolarHBondContact O-N 3.5Å; V100-T102 VanDerWaalsContact O-N 3.16Å
103M84.4Confident87.1Confident132 Ų132104.4 Ų104.465%0.6557%0.569SS**PPolyproline II helixtrans-70.6138176.5-173.3175.372.300110.2L122M103-L122 HydrophobicContact CB-CD1 4.2Å; M103-L122 HydrophobicContact CE-CB 4.43Å; M103-L122 HydrophobicContact CE-CD1 3.87Å; M103-L122 HydrophobicContact CE-CD2 3.32Å; M103-L122 HydrophobicContact CE-CG 4.06Å; M103-L122 WeakPolarHBondContact O-CD1 3.31Å
104D87.4Confident86.4Confident108 Ų108104.9 Ų104.958%0.57858%0.584SS**PPolyproline II helixtrans-81140.5173.6-63.6-47.7000110.2K101K101-D104 WeakPolarHBondContact CE-OD2 3.42Å; K101-D104 IonicContact NZ-OD2 2.82Å; K101-D104 PolarHBondContact NZ-OD2 3.43Å
105L86.6Confident85.6Confident27 Ų27105 Ų10514%0.14160%0.603CS.*PPolyproline II helixtrans-68.8129.4177.6-173.569.9000110.2L109 D118 L121 L122L105-L109 HydrophobicContact CD1-CB 3.81Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD2-CB 4.28Å; L105-L109 WeakPolarHBondContact CD2-O 3.47Å; L105-L109 HydrophobicContact CG-CB 4.01Å; L105-D118 HydrophobicContact CB-CB 4.02Å; L105-D118 HydrophobicContact CD2-CB 4.28Å; L105-L121 HydrophobicContact CD1-CD2 3.85Å; L105-L121 HydrophobicContact CD1-CG 4.27Å; L105-L121 HydrophobicContact CD2-CD2 3.77Å; L105-L121 HydrophobicContact CG-CD2 4.49Å; L105-L122 HydrophobicContact CB-CD1 4.48Å; L105-L122 HydrophobicContact CD1-CD2 3.46Å; L105-L122 VanDerWaalsContact CD1-CD2 3.46Å; L105-L122 HydrophobicContact CD1-CG 3.86Å
106P87.9Confident84.9Confident71 Ų7199.1 Ų99.146%0.46158%0.577SS.*PPolyproline II helixtrans-61.9142.9-179.9-22.532.4000112.7G108 L109P106-G108 PolarHBondContact O-N 3.04Å; P106-L109 HydrophobicContact CB-CD1 4.08Å; P106-L109 HydrophobicContact CG-CD1 4.31Å; P106-L109 PolarHBondContact O-N 3.22Å
107K82Confident84.4Confident221 Ų22199.2 Ų99.296%0.96157%0.57SS**THydrogen-bonded Turntrans-60.8106.4175.4-60.6-177.1-177.3-178.10109.3
108G83.9Confident84.3Confident80 Ų8095.7 Ų95.783%0.82556%0.557SS**THydrogen-bonded Turntrans127.7-13.3-17700000114.2P106P106-G108 PolarHBondContact O-N 3.04Å
109L86.4Confident83.9Confident84 Ų8494.3 Ų94.344%0.4455%0.551SS.*  trans-99.8136.6164.6-75.289.4000109L105 P106 L121 I125L105-L109 HydrophobicContact CD1-CB 3.81Å; L105-L109 HydrophobicContact CD1-CD2 4.48Å; L105-L109 HydrophobicContact CD2-CB 4.28Å; L105-L109 WeakPolarHBondContact CD2-O 3.47Å; L105-L109 HydrophobicContact CG-CB 4.01Å; P106-L109 HydrophobicContact CB-CD1 4.08Å; P106-L109 HydrophobicContact CG-CD1 4.31Å; P106-L109 PolarHBondContact O-N 3.22Å; L109-L121 HydrophobicContact CB-CD2 4.49Å; L109-I125 HydrophobicContact CD2-CD1 3.56Å
110Q87.4Confident83.7Confident164 Ų16491.2 Ų91.277%0.76654%0.536SS*.  trans-144.4135.4176.4-174.1178.41.500109.3
111G84.9Confident83.6Confident21 Ų2189.6 Ų89.622%0.21653%0.525CS..  trans-70.9135.7171.500000110.8C116G111-C116 VanDerWaalsContact CA-SG 3.57Å
112V82.8Confident83.9Confident84 Ų8483.2 Ų83.251%0.50950%0.498SS..  trans-114.6129.3174.4-65.40000109.4V144V112-V144 HydrophobicContact CB-CG2 4.31Å
113G76Confident84.1Confident40 Ų4081.7 Ų81.741%0.41249%0.491SS..SBendtrans120.4163.6-179.400000114
114P76.6Confident84.1Confident134 Ų13477.3 Ų77.387%0.8748%0.476SS*.THydrogen-bonded Turntrans-68135-176.927.9-33.6000111.4C116P114-C116 PolarHBondContact O-N 3.39Å
115G74.8Confident84.2Confident76 Ų7674 Ų7478%0.78446%0.458SS*.THydrogen-bonded Turntrans71.910.1174.700000115.2T117G115-T117 PolarHBondContact O-N 3.17Å
116C79.9Confident84.3Confident53 Ų5375.5 Ų75.536%0.35847%0.474SS..  trans-76.4117.9172.5-169.10000109.7G111 P114G111-C116 VanDerWaalsContact CA-SG 3.57Å; P114-C116 PolarHBondContact O-N 3.39Å
117T85.4Confident84.2Confident68 Ų6874.4 Ų74.442%0.41747%0.468SS..  trans-103.5159.8171.368.50000110.1G115 E119 T120 L121G115-T117 PolarHBondContact O-N 3.17Å; T117-E119 PolarHBondContact O-N 3.06Å; T117-T120 PolarHBondContact N-OG1 3.33Å; T117-T120 PolarHBondContact O-N 2.98Å; T117-T120 PolarHBondContact O-OG1 3.09Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.35Å; T117-T120 PolarHBondContact OG1-N 3.23Å; T117-T120 PolarHBondContact OG1-OG1 3.44Å; T117-L121 PolarHBondContact O-N 2.95Å; T117-L121 VanDerWaalsContact O-N 3.09Å
118D88Confident84.5Confident97 Ų9765.6 Ų65.652%0.51944%0.436SS..Hα-helixtrans-54.1-40.2176.9-67.3-6.1000111.9L105 T120 L121 L122L105-D118 HydrophobicContact CB-CB 4.02Å; L105-D118 HydrophobicContact CD2-CB 4.28Å; D118-T120 PolarHBondContact O-N 3.08Å; D118-L121 PolarHBondContact O-N 3.47Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.28Å; D118-L122 PolarHBondContact O-N 2.66Å
119E85.4Confident84.8Confident106 Ų10667 Ų6750%0.49542%0.424SS..Hα-helixtrans-61.7-43.1176.6-63174.6173.100112.8T117 L122 S123T117-E119 PolarHBondContact O-N 3.06Å; E119-L122 PolarHBondContact O-N 3.49Å; E119-S123 WeakPolarHBondContact O-CB 3.01Å; E119-S123 PolarHBondContact O-N 3.33Å; E119-S123 PolarHBondContact O-OG 3.12Å
120T84.3Confident84.9Confident40 Ų4070.9 Ų70.925%0.24544%0.44CS..Hα-helixtrans-65.7-40.6178.358.40000111.3T117 D118 S123 A124T117-T120 PolarHBondContact N-OG1 3.33Å; T117-T120 PolarHBondContact O-N 2.98Å; T117-T120 PolarHBondContact O-OG1 3.09Å; T117-T120 WeakPolarHBondContact OG1-CG2 3.35Å; T117-T120 PolarHBondContact OG1-N 3.23Å; T117-T120 PolarHBondContact OG1-OG1 3.44Å; D118-T120 PolarHBondContact O-N 3.08Å; T120-S123 PolarHBondContact O-N 3.05Å; T120-A124 WeakPolarHBondContact O-CB 3.31Å; T120-A124 PolarHBondContact O-N 3.3Å
121L87.3Confident84.9Confident36 Ų3668.7 Ų68.719%0.18844%0.438CS..Hα-helixtrans-65.6-45.2177.9179.760.3000111.5L105 L109 T117 D118 S123 A124 I125L105-L121 HydrophobicContact CD1-CD2 3.85Å; L105-L121 HydrophobicContact CD1-CG 4.27Å; L105-L121 HydrophobicContact CD2-CD2 3.77Å; L105-L121 HydrophobicContact CG-CD2 4.49Å; L109-L121 HydrophobicContact CB-CD2 4.49Å; T117-L121 PolarHBondContact O-N 2.95Å; T117-L121 VanDerWaalsContact O-N 3.09Å; D118-L121 PolarHBondContact O-N 3.47Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.22Å; L121-A124 PolarHBondContact O-N 2.93Å; L121-I125 HydrophobicContact CD1-CD1 4.11Å; L121-I125 HydrophobicContact CD1-CG1 4.34Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.2Å
122L89.3Confident84.9Confident22 Ų2270 Ų7012%0.11544%0.444CS..Hα-helixtrans-61.4-41.9176.4-72.1179.4000112.1M103 L105 D118 E119 I125 A126M103-L122 HydrophobicContact CB-CD1 4.2Å; M103-L122 HydrophobicContact CE-CB 4.43Å; M103-L122 HydrophobicContact CE-CD1 3.87Å; M103-L122 HydrophobicContact CE-CD2 3.32Å; M103-L122 HydrophobicContact CE-CG 4.06Å; M103-L122 WeakPolarHBondContact O-CD1 3.31Å; L105-L122 HydrophobicContact CB-CD1 4.48Å; L105-L122 HydrophobicContact CD1-CD2 3.46Å; L105-L122 VanDerWaalsContact CD1-CD2 3.46Å; L105-L122 HydrophobicContact CD1-CG 3.86Å; D118-L122 VanDerWaalsContact O-CG 3.31Å; D118-L122 WeakPolarHBondContact O-CG 3.28Å; D118-L122 PolarHBondContact O-N 2.66Å; E119-L122 PolarHBondContact O-N 3.49Å; L122-I125 PolarHBondContact O-N 3.02Å; L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3Å
123S85.6Confident85.1Confident52 Ų5273.2 Ų73.236%0.36446%0.464SS..Hα-helixtrans-63.8-40.4176.5-60.20000112.1E119 T120 L121 S127E119-S123 WeakPolarHBondContact O-CB 3.01Å; E119-S123 PolarHBondContact O-N 3.33Å; E119-S123 PolarHBondContact O-OG 3.12Å; T120-S123 PolarHBondContact O-N 3.05Å; L121-S123 VanDerWaalsContact C-N 3.32Å; L121-S123 PolarHBondContact O-N 3.22Å; S123-S127 VanDerWaalsContact O-CB 3.31Å; S123-S127 WeakPolarHBondContact O-CB 3.4Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 3.3Å
124A85.1Confident85.7Confident40 Ų4077.7 Ų77.733%0.33148%0.476SS..Hα-helixtrans-65.9-43.7176.100000111.8T120 L121 S127 A128T120-A124 WeakPolarHBondContact O-CB 3.31Å; T120-A124 PolarHBondContact O-N 3.3Å; L121-A124 PolarHBondContact O-N 2.93Å; A124-S127 PolarHBondContact O-N 2.94Å; A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.97Å
125I88.1Confident86.2Confident39 Ų3976.4 Ų76.420%0.247%0.467CS..Hα-helixtrans-61.3-49.6175.9-69.1166.5000110.2L109 L121 L122 S127 A128 L129 I136L109-I125 HydrophobicContact CD2-CD1 3.56Å; L121-I125 HydrophobicContact CD1-CD1 4.11Å; L121-I125 HydrophobicContact CD1-CG1 4.34Å; L121-I125 HydrophobicContact CG-CD1 3.95Å; L121-I125 VanDerWaalsContact O-CG1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.33Å; L121-I125 PolarHBondContact O-N 3.2Å; L122-I125 PolarHBondContact O-N 3.02Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.37Å; I125-A128 PolarHBondContact O-N 3.12Å; I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.17Å; I125-I136 HydrophobicContact CB-CD1 4.43Å; I125-I136 HydrophobicContact CG2-CD1 3.86Å; I125-I136 WeakPolarHBondContact O-CD1 3.36Å
126A88.6Confident86.8Confident57 Ų5776.7 Ų76.747%0.47145%0.45SS..Hα-helixtrans-58.6-43177.900000111.8L122 L129 H130L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3Å; A126-L129 PolarHBondContact O-N 3.39Å; A126-H130 WeakPolarHBondContact O-CB 3.27Å; A126-H130 PolarHBondContact O-N 3.1Å
127S86.8Confident87Confident48 Ų4879.8 Ų79.834%0.33647%0.467SS..Hα-helixtrans-64.5-41.9177.4-60.80000112.1S123 A124 I125 H130 T131S123-S127 VanDerWaalsContact O-CB 3.31Å; S123-S127 WeakPolarHBondContact O-CB 3.4Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 3.3Å; A124-S127 PolarHBondContact O-N 2.94Å; I125-S127 VanDerWaalsContact C-N 3.3Å; I125-S127 PolarHBondContact O-N 3.37Å; S127-H130 PolarHBondContact O-N 2.85Å; S127-T131 WeakPolarHBondContact O-CB 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.19Å; S127-T131 PolarHBondContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.38Å
128A87.9Confident87Confident36 Ų3679.7 Ų79.730%0.29848%0.48SS..Hα-helixtrans-64.5-43.3176.600000111.6A124 I125 H130 T131 S132 I136A124-A128 WeakPolarHBondContact O-CB 3.46Å; A124-A128 PolarHBondContact O-N 2.97Å; I125-A128 PolarHBondContact O-N 3.12Å; A128-H130 VanDerWaalsContact C-N 3.29Å; A128-H130 PolarHBondContact O-N 3.42Å; A128-T131 PolarHBondContact O-N 3.28Å; A128-S132 WeakPolarHBondContact O-CA 3.4Å; A128-S132 VanDerWaalsContact O-CB 3.29Å; A128-S132 WeakPolarHBondContact O-CB 3.38Å; A128-S132 PolarHBondContact O-N 3.39Å; A128-I136 HydrophobicContact CB-CD1 3.65Å; A128-I136 HydrophobicContact CB-CG1 4.21Å
129L89.7Confident86.6Confident109 Ų10982 Ų8257%0.57149%0.487SS*.Hα-helixtrans-65.1-31.8174.7-67.7176.8000112.8I125 A126 S132 I136I125-L129 HydrophobicContact CG2-CD1 4.11Å; I125-L129 HydrophobicContact CG2-CG 4.44Å; I125-L129 WeakPolarHBondContact O-CG 3.27Å; I125-L129 PolarHBondContact O-N 3.17Å; A126-L129 PolarHBondContact O-N 3.39Å; L129-S132 VanDerWaalsContact O-O 3.12Å; L129-I136 HydrophobicContact CD1-CD1 4.45Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CD2-CG1 3.97Å; L129-I136 HydrophobicContact CG-CD1 3.53Å; L129-I136 HydrophobicContact CG-CG1 4.49Å
130H88.5Confident85.9Confident167 Ų16785.8 Ų85.877%0.77351%0.51SS*.Hα-helixtrans-76.5-36178.8-17366.9000112.6A126 S127 A128A126-H130 WeakPolarHBondContact O-CB 3.27Å; A126-H130 PolarHBondContact O-N 3.1Å; S127-H130 PolarHBondContact O-N 2.85Å; A128-H130 VanDerWaalsContact C-N 3.29Å; A128-H130 PolarHBondContact O-N 3.42Å
131T87.9Confident84.8Confident117 Ų11788.2 Ų88.272%0.71853%0.528SS*.Hα-helixtrans-93.6-19-174.755.90000113.6S127 A128S127-T131 WeakPolarHBondContact O-CB 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.19Å; S127-T131 PolarHBondContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.38Å; A128-T131 PolarHBondContact O-N 3.28Å
132S85.3Confident83.4Confident49 Ų4991.2 Ų91.234%0.34356%0.558SS.*  trans-132.4141.5-177.5-176.40000111.2A128 L129 M134A128-S132 WeakPolarHBondContact O-CA 3.4Å; A128-S132 VanDerWaalsContact O-CB 3.29Å; A128-S132 WeakPolarHBondContact O-CB 3.38Å; A128-S132 PolarHBondContact O-N 3.39Å; L129-S132 VanDerWaalsContact O-O 3.12Å; S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 WeakPolarHBondContact OG-CB 3.48Å; S132-M134 PolarHBondContact OG-N 3.11Å; S132-M134 VanDerWaalsContact OG-N 3.11Å
133T86.3Confident81.7Confident151 Ų15193.9 Ų93.993%0.92658%0.584SS**  trans-90.30.9171.159.50000112.4
134M89.4Confident80.1Confident135 Ų13595.4 Ų95.467%0.66559%0.591SS**SBendtrans-78.9147.8178.7-67.1-172.767.500111.3S132S132-M134 VanDerWaalsContact C-N 3.32Å; S132-M134 WeakPolarHBondContact OG-CB 3.48Å; S132-M134 PolarHBondContact OG-N 3.11Å; S132-M134 VanDerWaalsContact OG-N 3.11Å
135P86.7Confident78.2Confident107 Ų107101.7 Ų101.770%0.69561%0.613SS**PPolyproline II helixtrans-62.2139.4173.926.8-33.9000110.5T137P135-T137 PolarHBondContact O-N 3.21Å
136I86.7Confident76.1Confident82 Ų82109.2 Ų109.242%0.42165%0.645SS.*PPolyproline II helixtrans-82.7117.2172.6-61.9175.8000107.9I125 A128 L129I125-I136 HydrophobicContact CB-CD1 4.43Å; I125-I136 HydrophobicContact CG2-CD1 3.86Å; I125-I136 WeakPolarHBondContact O-CD1 3.36Å; A128-I136 HydrophobicContact CB-CD1 3.65Å; A128-I136 HydrophobicContact CB-CG1 4.21Å; L129-I136 HydrophobicContact CD1-CD1 4.45Å; L129-I136 HydrophobicContact CD2-CD1 3.52Å; L129-I136 HydrophobicContact CD2-CG1 3.97Å; L129-I136 HydrophobicContact CG-CD1 3.53Å; L129-I136 HydrophobicContact CG-CG1 4.49Å
137T85.8Confident73.5Confident118 Ų118117.2 Ų117.272%0.72468%0.679SS**  trans-105.2136.1174.956.40000109.8P135P135-T137 PolarHBondContact O-N 3.21Å
138G83.8Confident72.9Confident66 Ų66120.7 Ų120.768%0.6870%0.696SS**  trans-70174.3172.600000112.9
139Q81.1Confident72.1Confident145 Ų145125.1 Ų125.168%0.67872%0.717SS**  trans-76.3132.6170.9-69.6-177.8-16.600110.3
140L69.1Low71.1Confident186 Ų186126 Ų12697%0.97473%0.726SS**SBendtrans-86.2-8.4178.7-63.9172.4000113.1
141S62.6Low70.1Confident90 Ų90123.6 Ų123.663%0.62972%0.723SS**SBendtrans-137.6133.1-176-160.90000110.9A143S141-A143 PolarHBondContact O-N 3.01Å
142A57.2Low69Low99 Ų99124 Ų12482%0.81872%0.723SS**  trans-79.915.9-176.200000114.2V144A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.94Å
143A53.6Low67.9Low78 Ų78129 Ų12965%0.64575%0.749SS**  trans-77.984.6-179.700000110.3S141 E145S141-A143 PolarHBondContact O-N 3.01Å; A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.1Å
144V53Low66.6Low85 Ų85127.4 Ų127.452%0.51574%0.736SS.*  trans-6988.9159.4175.40000106.7V112 A142 K146V112-V144 HydrophobicContact CB-CG2 4.31Å; A142-V144 VanDerWaalsContact C-N 3.34Å; A142-V144 PolarHBondContact O-N 2.94Å; V144-K146 PolarHBondContact O-N 3.26Å; V144-K146 VanDerWaalsContact O-N 3.11Å
145E45Very low64.8Low172 Ų172126.8 Ų126.880%0.80474%0.741SS**  trans-64111.9164.5-104.6-165162.300107.9A143 N147A143-E145 VanDerWaalsContact C-N 3.26Å; A143-E145 PolarHBondContact O-N 3.1Å; E145-N147 PolarHBondContact O-N 3.11Å
146K43.8Very low63Low197 Ų197128.5 Ų128.586%0.85775%0.745SS**  trans-58.8116.4173-65.5-170175.6-177.40109.2V144V144-K146 PolarHBondContact O-N 3.26Å; V144-K146 VanDerWaalsContact O-N 3.11Å
147N34.2Very low60.8Low224 Ų224132.7 Ų132.7100%1.19878%0.775SS**  trans-126.70156.5-88.1-75.2000108.8E145E145-N147 PolarHBondContact O-N 3.11Å

Retrieved 147 of 147 residues in 59.6 ms (Link to these results)