A0A087WX73_HUMAN Loading...

A-kinase anchoring protein 13

AlphaFold DB , UniProt , Accession A0A087WX73, Species HUMAN (Homo sapiens, Human), Gene AKAP13, Length 166 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
1M39.9Very low44.9Very low240 Ų240173.7 Ų173.7100%1.18284%0.836SS**  0124.80-64.492.2158.900108.8
2S41Very low45.5Very low114 Ų114167.3 Ų167.380%0.79782%0.819SS**  trans-81.2129.9-173.2-50.30000111.9
3I44.1Very low45.4Very low147 Ų147168.6 Ų168.675%0.75482%0.821SS**  trans-105.9102159.2-58.1167.7000106.1W5I3-W5 PolarHBondContact O-N 3.17Å; I3-W5 VanDerWaalsContact O-N 3.17Å
4K42.9Very low46.2Very low193 Ų193166.5 Ų166.584%0.83981%0.814SS**  trans-62.2108.4174.3-74.5164.1173.6163.70108.1A6K4-A6 PolarHBondContact O-N 3.24Å
5W40.3Very low46.8Very low239 Ų239163.9 Ų163.991%0.90581%0.812SS**  trans-72.699.7164.4-74.470.4000106.8I3 R7I3-W5 PolarHBondContact O-N 3.17Å; I3-W5 VanDerWaalsContact O-N 3.17Å; W5-R7 PolarHBondContact O-N 3.06Å
6A45.8Very low47.4Very low77 Ų77159.1 Ų159.164%0.63679%0.794SS**  trans-54.6125.3175.400000108.8K4 F8K4-A6 PolarHBondContact O-N 3.24Å; A6-F8 PolarHBondContact O-N 2.83Å
7R46.3Very low47.8Very low244 Ų244163.8 Ų163.892%0.92180%0.8SS**  trans-62.687.5169.5-174164.7171.593.2-4.5107.6W5 H9W5-R7 PolarHBondContact O-N 3.06Å; R7-H9 PolarHBondContact O-N 3.14Å
8F43.6Very low47.7Very low187 Ų187164.8 Ų164.882%0.8280%0.8SS**  trans-67.8118170.9-113-101.2000107.4A6 E10A6-F8 PolarHBondContact O-N 2.83Å; F8-E10 PolarHBondContact O-N 2.9Å
9H44.4Very low48.1Very low175 Ų175165.1 Ų165.181%0.8180%0.804SS**  trans-55.2125.1171.4-139.7-141.2000107.7R7 V11R7-H9 PolarHBondContact O-N 3.14Å; H9-V11 WeakPolarHBondContact O-CG2 3.48Å; H9-V11 PolarHBondContact O-N 3.14Å
10E49.5Very low48.1Very low186 Ų186159.9 Ų159.987%0.86980%0.795SS**  trans-58.2102.2173.5-166.9-173.3113.100108F8F8-E10 PolarHBondContact O-N 2.9Å
11V55.9Low48.3Very low109 Ų109158.2 Ų158.266%0.66180%0.796SS**  trans-76123.7175.3-1760000106.4H9 H13H9-V11 WeakPolarHBondContact O-CG2 3.48Å; H9-V11 PolarHBondContact O-N 3.14Å; V11-H13 PolarHBondContact O-N 3.31Å; V11-H13 VanDerWaalsContact O-N 3.14Å
12P52.3Low48.3Very low97 Ų97157.1 Ų157.163%0.6378%0.784SS**  trans-61122.2174.223.9-31.2000108.8I14P12-I14 VanDerWaalsContact C-N 3.3Å; P12-I14 PolarHBondContact O-N 3.39Å
13H44.6Very low48.3Very low184 Ų184160.4 Ų160.485%0.85279%0.787SS**  trans-65.389.5171.1-101.4-131000109.1V11 T15V11-H13 PolarHBondContact O-N 3.31Å; V11-H13 VanDerWaalsContact O-N 3.14Å; H13-T15 PolarHBondContact O-N 3.28Å; H13-T15 VanDerWaalsContact O-N 3.14Å
14I55.8Low47.9Very low139 Ų139157 Ų15771%0.71379%0.788SS**  trans-72104.4167.6-59.2170.7000106.7P12 V16P12-I14 VanDerWaalsContact C-N 3.3Å; P12-I14 PolarHBondContact O-N 3.39Å; I14-V16 HydrophobicContact CG2-CG2 3.6Å; I14-V16 PolarHBondContact O-N 3.11Å; I14-V16 VanDerWaalsContact O-N 3.11Å
15T55.7Low48Very low128 Ų128155.9 Ų155.979%0.78579%0.786SS**  trans-79.392.3172.9-52.10000108.6H13H13-T15 PolarHBondContact O-N 3.28Å; H13-T15 VanDerWaalsContact O-N 3.14Å
16V56.1Low47.9Very low86 Ų86153.7 Ų153.752%0.52179%0.785SS.*  trans-83.7113.7173.9-173.80000109.1I14 F18I14-V16 HydrophobicContact CG2-CG2 3.6Å; I14-V16 PolarHBondContact O-N 3.11Å; I14-V16 VanDerWaalsContact O-N 3.11Å; V16-F18 HydrophobicContact CB-CD2 4.11Å; V16-F18 HydrophobicContact CB-CE2 3.72Å; V16-F18 HydrophobicContact CG1-CD2 3.67Å; V16-F18 HydrophobicContact CG1-CE1 4.47Å; V16-F18 HydrophobicContact CG1-CE2 3.34Å; V16-F18 HydrophobicContact CG1-CG 4.37Å; V16-F18 HydrophobicContact CG1-CZ 3.79Å; V16-F18 PolarHBondContact O-N 2.85Å
17R53.5Low47.9Very low239 Ų239159.5 Ų159.590%0.90280%0.796SS**  trans-78110166.3-76.8-178.3174.4147.1-1.3108.8
18F46Very low47.8Very low183 Ų183155 Ų15580%0.80379%0.786SS**  trans-89.7117.1170-77.1-90.2000109.8V16V16-F18 HydrophobicContact CB-CD2 4.11Å; V16-F18 HydrophobicContact CB-CE2 3.72Å; V16-F18 HydrophobicContact CG1-CD2 3.67Å; V16-F18 HydrophobicContact CG1-CE1 4.47Å; V16-F18 HydrophobicContact CG1-CE2 3.34Å; V16-F18 HydrophobicContact CG1-CG 4.37Å; V16-F18 HydrophobicContact CG1-CZ 3.79Å; V16-F18 PolarHBondContact O-N 2.85Å
19I56Low47.7Very low170 Ų170153.7 Ų153.787%0.87278%0.78SS**  trans-100.7108.2158.1-60.5172.4000105.6
20G48.4Very low47.9Very low61 Ų61153.9 Ų153.963%0.62978%0.781SS**  trans-77.5175.2-178.600000114.6
21P52.3Low47.9Very low124 Ų124153.9 Ų153.981%0.80578%0.778SS**  trans-104.2159.6-136.437.8-33.1000114.1
22K40.2Very low47.1Very low218 Ų218154 Ų15495%0.94878%0.775SS**  trans-131.7132.6149.6-80.6-148.8164.1820111.6
23H39.6Very low46.5Very low183 Ų183159.9 Ų159.985%0.84779%0.79SS**  trans-79.7151.1-162.5-169.9-94.7000112.8
24G36.5Very low46.8Very low75 Ų75157.9 Ų157.977%0.77379%0.785SS**  trans171.366.617300000111.2E26G24-E26 PolarHBondContact O-N 3.12Å
25E45.4Very low46.5Very low170 Ų170160.8 Ų160.879%0.79479%0.792SS**  trans-75.8114171.4-167.2-178.7146.400109
26E37.4Very low45.8Very low192 Ų192163.8 Ų163.890%0.89780%0.797SS**  trans-150.1118.2153.6-112.1178175.700109G24G24-E26 PolarHBondContact O-N 3.12Å
27K46.9Very low45.4Very low199 Ų199169.3 Ų169.387%0.86581%0.814SS**  trans-58.1131.1172.1-78167.6166.6167.50110.9
28E43Very low45Very low151 Ų151167.7 Ų167.771%0.70682%0.817SS**  -175135.9127.6-127.4-177.3120.700113
29K41.8Very low45.5Very low159 Ų159168 Ų16869%0.69182%0.818SS**  trans52.9111.1151.1-80.8170.4-179144.60118.7
30E49.5Very low44.6Very low178 Ų178167.1 Ų167.183%0.83282%0.815SS**  49.179.284.3-164.1-166.5168.400112.6
31K47.9Very low44.7Very low186 Ų186170 Ų17081%0.80983%0.826SS**  trans179.7143.8142.6-109.5172.2173.2-177.70112
32D40.7Very low44.4Very low113 Ų113173.2 Ų173.260%0.60483%0.827SS**  trans75.651.5153.2-77-77.4000119.7I34D32-I34 PolarHBondContact O-N 3.49Å
33K39.9Very low44.5Very low219 Ų219169.7 Ų169.795%0.95282%0.818SS**  trans-86.337.7148.7-109.2-175.4-176.5-175.30112
34I49.1Very low44.8Very low143 Ų143169.5 Ų169.573%0.73382%0.815SS**  trans-104.269.8175.5-50.2169.6000107.3D32D32-I34 PolarHBondContact O-N 3.49Å
35K49.8Very low45.2Very low199 Ų199175.2 Ų175.287%0.86582%0.822SS**  trans-15515.6175.7-128.4175.8-176.4178.50118.9
36E42.4Very low45.6Very low191 Ų191175.9 Ų175.989%0.89382%0.822SS**SBendtrans-148.487.9174-115.2-164.3138.600113.3
37K46.9Very low46Very low202 Ų202172.8 Ų172.888%0.87881%0.812SS**  170.959.3129.5-98.6-174.8172.4177.70110.2K39K37-K39 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact O-N 3.12Å
38E45.2Very low46.4Very low205 Ų205172.7 Ų172.796%0.95881%0.811SS**  trans-78.769.4159.1-163.2-173.9173.400108.1
39K56.6Low46.9Very low191 Ų191173.5 Ų173.583%0.8381%0.813SS**  trans-163.484.1170.1-153.1176.2-175.3-179.80112.3K37K37-K39 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact O-N 3.12Å
40D37.4Very low47.8Very low150 Ų150170.5 Ų170.580%0.80281%0.808SS**  trans-164.478.4131.8-155.2-116.2000109.2
41S49.2Very low48.5Very low123 Ų123165.2 Ų165.286%0.8679%0.787SS**  trans-78.8114.3159.5-56.50000107.2
42K47.2Very low49.3Very low190 Ų190160.9 Ų160.983%0.82677%0.773SS**  trans138.283.9151-173.1169.7-177.3174.80112.7
43D41Very low51.1Low144 Ų144157 Ų15777%0.7776%0.759SS**SBend-175.4147.6128.5-157.8-116.5000110.6
44K46.3Very low53.2Low179 Ų179146.9 Ų146.978%0.77872%0.715SS**  trans84.558.4179.4-57.8-171.4176.1173.60117.6K46K44-K46 PolarHBondContact O-N 2.91Å
45E46.4Very low55Low196 Ų196142.5 Ų142.592%0.91670%0.696SS**  trans-61.636.6152.2-161.4-166127.200113.6
46K52.7Low56.9Low184 Ų184135 Ų13580%0.866%0.663SS**  trans-143.758-171.6-149-175.8-173.9-171.80113.7K44K44-K46 PolarHBondContact O-N 2.91Å
47D46Very low59.1Low127 Ų127129.1 Ų129.168%0.67964%0.643SS**  trans-163.764.1146-129.5-96.2000110.8K49D47-K49 PolarHBondContact O-N 3.45Å
48K54.3Low61.1Low197 Ų197122.5 Ų122.586%0.85762%0.623SS**  trans-73.846.6170.4-90.7-174177.3-178.80111.7T50K48-T50 PolarHBondContact O-N 2.76Å
49K54.5Low63.1Low168 Ų168116 Ų11673%0.7359%0.594SS**  trans-87.886.5161.1-70.2-159.8-175.9-173.20107.3D47 V51D47-K49 PolarHBondContact O-N 3.45Å; K49-V51 PolarHBondContact O-N 3.41Å
50T60.6Low64.6Low96 Ų96110.9 Ų110.959%0.58958%0.58SS**  trans-58.5106.516738.70000108.4K48K48-T50 PolarHBondContact O-N 2.76Å
51V65.2Low66.8Low66 Ų66105 Ų10540%0.455%0.549SS..BIsolated β-bridgetrans-95114.1173.7176.80000106.8K49 G53 H54K49-V51 PolarHBondContact O-N 3.41Å; V51-G53 PolarHBondContact O-N 2.92Å; V51-H54 PolarHBondContact N-O 3.33Å; V51-H54 WeakPolarHBondContact O-CB 3.37Å; V51-H54 PolarHBondContact O-N 2.8Å
52N64.1Low68.1Low95 Ų95105.2 Ų105.251%0.50855%0.545SS..THydrogen-bonded Turntrans56.430.7173.6-151.87000114.2H54 S99 C100N52-H54 VanDerWaalsContact C-N 3.33Å; N52-H54 PolarHBondContact O-N 3.31Å; N52-S99 VanDerWaalsContact CG-CA 3.41Å; N52-S99 VanDerWaalsContact CG-CB 3.43Å; N52-S99 WeakPolarHBondContact ND2-CA 3.34Å; N52-S99 PolarHBondContact ND2-N 3.3Å; N52-S99 VanDerWaalsContact ND2-N 3.16Å; N52-S99 WeakPolarHBondContact O-CA 3.48Å; N52-S99 WeakPolarHBondContact OD1-CB 3.36Å; N52-C100 PolarHBondContact O-N 2.98Å
53G77.8Confident69.6Low31 Ų3198.5 Ų98.532%0.3253%0.529SS..THydrogen-bonded Turntrans81.20.4-176.500000115.5V51 C100 V103V51-G53 PolarHBondContact O-N 2.92Å; G53-C100 WeakPolarHBondContact O-CB 3.25Å; G53-V103 WeakPolarHBondContact O-CG2 3.05Å
54H85.1Confident71.5Confident7 Ų798.4 Ų98.43%0.03254%0.537CS..BIsolated β-bridgetrans-89.5140.2173.2-64.9-84.1000111.5V51 N52 F56 C82 C85 A98 C100V51-H54 PolarHBondContact N-O 3.33Å; V51-H54 WeakPolarHBondContact O-CB 3.37Å; V51-H54 PolarHBondContact O-N 2.8Å; N52-H54 VanDerWaalsContact C-N 3.33Å; N52-H54 PolarHBondContact O-N 3.31Å; H54-F56 HydrophobicContact CB-CD2 3.94Å; H54-F56 HydrophobicContact CB-CE1 4.22Å; H54-F56 HydrophobicContact CB-CE2 3.28Å; H54-F56 HydrophobicContact CB-CZ 3.41Å; H54-F56 VanDerWaalsContact CB-CZ 3.41Å; H54-F56 AromaticContact CG-CE2 3.92Å; H54-F56 AromaticContact CG-CZ 3.6Å; H54-F56 AromaticContact ND1-CZ 3.97Å; H54-C82 PolarHBondContact ND1-SG 3.2Å; H54-C85 VanDerWaalsContact CE1-SG 3.58Å; H54-C85 PolarHBondContact ND1-SG 3.3Å; H54-A98 PolarHBondContact NE2-O 2.88Å; H54-C100 HydrophobicContact CB-CB 4.49Å; H54-C100 WeakPolarHBondContact CE1-CA 3.35Å; H54-C100 WeakPolarHBondContact CE1-CB 3.34Å; H54-C100 WeakPolarHBondContact ND1-CB 3.34Å; H54-C100 PolarHBondContact ND1-SG 2.88Å; H54-C100 VanDerWaalsContact NE2-CA 3.34Å; H54-C100 WeakPolarHBondContact NE2-CA 3.48Å; H54-C100 PolarHBondContact NE2-N 2.97Å; H54-C100 VanDerWaalsContact NE2-N 3.16Å
55T86.9Confident73.4Confident52 Ų5291.8 Ų91.832%0.31951%0.509SS..  trans-113.898.3170.3-49.30000107.6C82 A83 N84T55-C82 CarbonylContact O-C 3.53Å; T55-C82 WeakPolarHBondContact O-CA 3.36Å; T55-A83 PolarHBondContact O-N 3.29Å; T55-N84 PolarHBondContact OG1-OD1 3.17Å
56F88.1Confident75.5Confident40 Ų4085.2 Ų85.218%0.17549%0.485CS..EExtended strand (participates in β ladder)trans-88.1135.8-178.2-64.1-75.6000111.9H54 Y80 T81 C82 V89 R94 L97H54-F56 HydrophobicContact CB-CD2 3.94Å; H54-F56 HydrophobicContact CB-CE1 4.22Å; H54-F56 HydrophobicContact CB-CE2 3.28Å; H54-F56 HydrophobicContact CB-CZ 3.41Å; H54-F56 VanDerWaalsContact CB-CZ 3.41Å; H54-F56 AromaticContact CG-CE2 3.92Å; H54-F56 AromaticContact CG-CZ 3.6Å; H54-F56 AromaticContact ND1-CZ 3.97Å; F56-Y80 HydrophobicContact CB-CD1 4.22Å; F56-T81 CarbonylContact C-O 3.46Å; F56-T81 VanDerWaalsContact CA-O 3.23Å; F56-T81 WeakPolarHBondContact CA-O 3.34Å; F56-C82 HydrophobicContact CD1-CB 3.87Å; F56-C82 HydrophobicContact CE1-CB 3.68Å; F56-C82 HydrophobicContact CZ-CB 4.46Å; F56-V89 HydrophobicContact CD1-CG2 4.02Å; F56-V89 HydrophobicContact CE1-CG2 3.64Å; F56-V89 HydrophobicContact CZ-CG2 4.36Å; F56-R94 HydrophobicContact CD2-CB 4.19Å; F56-R94 HydrophobicContact CE2-CB 4.05Å; F56-R94 HydrophobicContact CZ-CB 4.36Å; F56-L97 HydrophobicContact CE1-CD1 3.54Å; F56-L97 HydrophobicContact CE2-CD1 4.48Å; F56-L97 HydrophobicContact CZ-CD1 3.3Å
57S89.1Confident77.3Confident69 Ų6976.4 Ų76.448%0.48345%0.447SS..EExtended strand (participates in β ladder)trans-121.2143.2168.5-171.30000109.9Y80 T81S57-Y80 CarbonylContact O-C 3.6Å; S57-Y80 WeakPolarHBondContact O-CA 3.34Å; S57-T81 PolarHBondContact N-O 2.82Å; S57-T81 PolarHBondContact O-N 3.2Å
58S89.4Confident79.4Confident63 Ų6373.6 Ų73.644%0.44144%0.437SS..EExtended strand (participates in β ladder)trans-78.7129.3174.7-167.60000109.3A79S58-A79 CarbonylContact C-O 3.56Å; S58-A79 WeakPolarHBondContact CA-O 3.13Å
59I88.3Confident81Confident68 Ų6867.8 Ų67.835%0.34941%0.413SS..EExtended strand (participates in β ladder)trans-132.4139.5179.4-58.7-168.6000108.8V61 A79 T81I59-V61 PolarHBondContact O-N 2.85Å; I59-A79 PolarHBondContact N-O 2.87Å; I59-A79 PolarHBondContact O-N 2.81Å; I59-A79 VanDerWaalsContact O-O 3.11Å; I59-T81 HydrophobicContact CD1-CG2 3.18Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å
60P87.4Confident82.7Confident84 Ų8462 Ų6255%0.54539%0.393SS..EExtended strand (participates in β ladder)trans-63.4131.6170.627.1-35000111V62 K77P60-V62 PolarHBondContact O-N 2.84Å; P60-K77 CarbonylContact C-O 3.5Å; P60-K77 VanDerWaalsContact CA-O 3.25Å; P60-K77 WeakPolarHBondContact CA-O 3.23Å
61V84.1Confident84.1Confident26 Ų2664.1 Ų64.116%0.15840%0.398CS..  trans-76.2116.9175.5177.30000108.7I59 G63 I65 F74 K77 A79I59-V61 PolarHBondContact O-N 2.85Å; V61-G63 WeakPolarHBondContact CG1-O 3.35Å; V61-I65 HydrophobicContact CG1-CB 4.05Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 3.98Å; V61-F74 HydrophobicContact CG1-CB 4.18Å; V61-F74 HydrophobicContact CG2-CB 3.94Å; V61-F74 HydrophobicContact CG2-CD1 4.41Å; V61-F74 HydrophobicContact CG2-CD2 4.46Å; V61-F74 HydrophobicContact CG2-CG 4.03Å; V61-K77 PolarHBondContact N-O 2.82Å; V61-A79 HydrophobicContact CG2-CB 3.3Å
62V76.7Confident85.3Confident128 Ų12867.6 Ų67.678%0.77641%0.408SS*.  trans-116.6100.1174.1-172.30000108.1P60P60-V62 PolarHBondContact O-N 2.84Å
63G77.2Confident86.4Confident48 Ų4867.1 Ų67.150%0.49541%0.41SS..SBendtrans103.2-179.7-179.600000114.4V61 I65V61-G63 WeakPolarHBondContact CG1-O 3.35Å; G63-I65 PolarHBondContact O-N 2.96Å
64P80.6Confident86.8Confident142 Ų14266.6 Ų66.692%0.92240%0.399SS*.SBendtrans-75.484.8-176.531-34.4000110.9
65I86.6Confident86.7Confident40 Ų4072.9 Ų72.921%0.20544%0.438CS..  trans-96.8143.1174-52-176.8000108.8V61 G63 P73 F74 F88V61-I65 HydrophobicContact CG1-CB 4.05Å; V61-I65 HydrophobicContact CG1-CD1 3.97Å; V61-I65 HydrophobicContact CG1-CG1 3.98Å; G63-I65 PolarHBondContact O-N 2.96Å; I65-P73 WeakPolarHBondContact O-CA 3.49Å; I65-F74 HydrophobicContact CB-CD2 3.94Å; I65-F74 HydrophobicContact CB-CE2 4.42Å; I65-F74 HydrophobicContact CG2-CD2 3.83Å; I65-F74 HydrophobicContact CG2-CE2 3.8Å; I65-F74 WeakPolarHBondContact O-CD2 3.31Å; I65-F74 PolarHBondContact O-N 3.48Å; I65-F88 HydrophobicContact CG2-CB 3.99Å; I65-F88 HydrophobicContact CG2-CD1 4.45Å; I65-F88 HydrophobicContact CG2-CD2 4.05Å; I65-F88 HydrophobicContact CG2-CG 3.91Å
66S90.9Very high86.2Confident58 Ų5874.8 Ų74.841%0.40645%0.446SS..BIsolated β-bridgetrans-115.3147.9173.560.20000112.5K72 F74S66-K72 WeakPolarHBondContact CA-O 3.47Å; S66-F74 VanDerWaalsContact C-CE2 3.5Å
67C91.4Very high85.9Confident0 Ų080 Ų800%047%0.469CS..  trans-72.9128.9178.4173.80000110.7Q69 C70 M71 K72 F74 H90 C93C67-Q69 PolarHBondContact O-N 3.34Å; C67-Q69 VanDerWaalsContact O-N 3.11Å; C67-Q69 PolarHBondContact SG-N 3.17Å; C67-C70 VanDerWaalsContact CB-SG 3.56Å; C67-M71 WeakPolarHBondContact O-CA 3.44Å; C67-M71 PolarHBondContact O-N 3.24Å; C67-K72 PolarHBondContact N-O 3.48Å; C67-F74 HydrophobicContact CB-CE2 4.16Å; C67-F74 HydrophobicContact CB-CZ 3.94Å; C67-H90 WeakPolarHBondContact CB-CE1 3.31Å; C67-H90 WeakPolarHBondContact CB-ND1 3.42Å; C67-C93 VanDerWaalsContact SG-SG 3.66Å
68S89.4Confident85.7Confident68 Ų6880.1 Ų80.148%0.47646%0.464SS..THydrogen-bonded Turntrans-65-16.1-179.1-178.60000114.6F88S68-F88 PolarHBondContact N-O 3.48Å
69Q88.4Confident85.7Confident75 Ų7577.2 Ų77.235%0.3544%0.444SS..THydrogen-bonded Turntrans-95.8-46.1-179.1-77.8-58-41.200113.5C67 V89 C93 L97C67-Q69 PolarHBondContact O-N 3.34Å; C67-Q69 VanDerWaalsContact O-N 3.11Å; C67-Q69 PolarHBondContact SG-N 3.17Å; Q69-V89 HydrophobicContact CG-CG1 4.06Å; Q69-C93 HydrophobicContact CB-CB 3.85Å; Q69-C93 HydrophobicContact CG-CB 4.15Å; Q69-L97 HydrophobicContact CG-CD2 3.58Å; Q69-L97 HydrophobicContact CG-CG 3.57Å
70C90.3Very high85.9Confident46 Ų4676.3 Ų76.331%0.31144%0.436SS..THydrogen-bonded Turntrans-105.8-1-177.161.10000113.4C67 K72 H90C67-C70 VanDerWaalsContact CB-SG 3.56Å; C70-K72 HydrophobicContact CB-CD 4.45Å; C70-K72 PolarHBondContact O-N 2.76Å; C70-H90 PolarHBondContact SG-CE1 3.16Å; C70-H90 PolarHBondContact SG-ND1 3.47Å
71M89.6Confident86Confident141 Ų14173.2 Ų73.270%0.69542%0.416SS*.  trans56.15.6-177.3-64.2-67-69.700114.9C67C67-M71 WeakPolarHBondContact O-CA 3.44Å; C67-M71 PolarHBondContact O-N 3.24Å
72K89.8Confident86.2Confident139 Ų13972 Ų7260%0.60441%0.408SS*.  trans-78.3140.7177.8-69.5171.1-173.4-81.70109.9S66 C67 C70S66-K72 WeakPolarHBondContact CA-O 3.47Å; C67-K72 PolarHBondContact N-O 3.48Å; C70-K72 HydrophobicContact CB-CD 4.45Å; C70-K72 PolarHBondContact O-N 2.76Å
73P87.5Confident86.6Confident84 Ų8469.8 Ų69.855%0.54540%0.403SS..BIsolated β-bridgetrans-62.1149172.528.1-34.3000110.5I65 T75I65-P73 WeakPolarHBondContact O-CA 3.49Å; P73-T75 PolarHBondContact O-N 3.02Å
74F85.8Confident86.9Confident20 Ų2070 Ų709%0.08839%0.394CS..  trans-70.8111.5171.1-70.6-87.7000108.9V61 I65 S66 C67 N76 A79 F88 V89 H90V61-F74 HydrophobicContact CG1-CB 4.18Å; V61-F74 HydrophobicContact CG2-CB 3.94Å; V61-F74 HydrophobicContact CG2-CD1 4.41Å; V61-F74 HydrophobicContact CG2-CD2 4.46Å; V61-F74 HydrophobicContact CG2-CG 4.03Å; I65-F74 HydrophobicContact CB-CD2 3.94Å; I65-F74 HydrophobicContact CB-CE2 4.42Å; I65-F74 HydrophobicContact CG2-CD2 3.83Å; I65-F74 HydrophobicContact CG2-CE2 3.8Å; I65-F74 WeakPolarHBondContact O-CD2 3.31Å; I65-F74 PolarHBondContact O-N 3.48Å; S66-F74 VanDerWaalsContact C-CE2 3.5Å; C67-F74 HydrophobicContact CB-CE2 4.16Å; C67-F74 HydrophobicContact CB-CZ 3.94Å; F74-N76 VanDerWaalsContact C-N 3.29Å; F74-A79 HydrophobicContact CD1-CB 3.66Å; F74-A79 HydrophobicContact CD2-CB 4.29Å; F74-A79 HydrophobicContact CE1-CB 3.41Å; F74-A79 VanDerWaalsContact CE1-CB 3.41Å; F74-A79 HydrophobicContact CE2-CB 4.09Å; F74-A79 HydrophobicContact CG-CB 4.11Å; F74-A79 HydrophobicContact CZ-CB 3.66Å; F74-F88 HydrophobicContact CE2-CB 3.86Å; F74-F88 HydrophobicContact CZ-CB 4.02Å; F74-V89 VanDerWaalsContact CE1-C 3.45Å; F74-V89 WeakPolarHBondContact CE1-O 3.33Å; F74-V89 VanDerWaalsContact CZ-C 3.46Å; F74-H90 AromaticContact CD1-CD2 3.3Å; F74-H90 WeakPolarHBondContact CD1-CD2 3.3Å; F74-H90 AromaticContact CD1-NE2 3.44Å; F74-H90 WeakPolarHBondContact CD1-NE2 3.08Å; F74-H90 AromaticContact CE1-CD2 3.31Å; F74-H90 WeakPolarHBondContact CE1-CD2 3.34Å; F74-H90 AromaticContact CE1-CG 3.92Å; F74-H90 AromaticContact CE1-NE2 3.71Å; F74-H90 AromaticContact CG-NE2 3.97Å
75T84.1Confident87.1Confident140 Ų14064.4 Ų64.486%0.85936%0.357SS*.  trans-81.6-16.9169.956.60000111.9P73P73-T75 PolarHBondContact O-N 3.02Å
76N76.4Confident87Confident91 Ų9166 Ų6649%0.48737%0.372SS..SBendtrans-92.9152.9177.4-152.1-78.7000110.5F74 D78F74-N76 VanDerWaalsContact C-N 3.29Å; N76-D78 PolarHBondContact O-N 2.9Å; N76-D78 PolarHBondContact OD1-N 3.11Å
77K81.1Confident86.9Confident151 Ų15164.1 Ų64.166%0.65736%0.36SS*.SBendtrans-71-12.1176.757.9171.9-177.1-73.30113.4P60 V61P60-K77 CarbonylContact C-O 3.5Å; P60-K77 VanDerWaalsContact CA-O 3.25Å; P60-K77 WeakPolarHBondContact CA-O 3.23Å; V61-K77 PolarHBondContact N-O 2.82Å
78D85Confident86.8Confident70 Ų7067.5 Ų67.537%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-118.3133-178-59.3-51.2000111.8N76N76-D78 PolarHBondContact O-N 2.9Å; N76-D78 PolarHBondContact OD1-N 3.11Å
79A90.1Very high86.9Confident2 Ų264.3 Ų64.32%0.01735%0.352CS..EExtended strand (participates in β ladder)trans-127.7156.4173.100000110.8S58 I59 V61 F74S58-A79 CarbonylContact C-O 3.56Å; S58-A79 WeakPolarHBondContact CA-O 3.13Å; I59-A79 PolarHBondContact N-O 2.87Å; I59-A79 PolarHBondContact O-N 2.81Å; I59-A79 VanDerWaalsContact O-O 3.11Å; V61-A79 HydrophobicContact CG2-CB 3.3Å; F74-A79 HydrophobicContact CD1-CB 3.66Å; F74-A79 HydrophobicContact CD2-CB 4.29Å; F74-A79 HydrophobicContact CE1-CB 3.41Å; F74-A79 VanDerWaalsContact CE1-CB 3.41Å; F74-A79 HydrophobicContact CE2-CB 4.09Å; F74-A79 HydrophobicContact CG-CB 4.11Å; F74-A79 HydrophobicContact CZ-CB 3.66Å
80Y90.5Very high87.1Confident50 Ų5062.9 Ų62.920%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-98.6124.8172.8-69.6-92.1000109.6F56 S57 F88 V89 K91F56-Y80 HydrophobicContact CB-CD1 4.22Å; S57-Y80 CarbonylContact O-C 3.6Å; S57-Y80 WeakPolarHBondContact O-CA 3.34Å; Y80-F88 CarbonylContact O-C 3.51Å; Y80-F88 VanDerWaalsContact O-CA 3.31Å; Y80-F88 WeakPolarHBondContact O-CA 3.42Å; Y80-V89 WeakPolarHBondContact CB-O 3.39Å; Y80-V89 PolarHBondContact N-O 2.86Å; Y80-V89 PolarHBondContact O-N 3.3Å; Y80-K91 HydrophobicContact CD2-CB 4.31Å; Y80-K91 HydrophobicContact CE2-CB 3.66Å; Y80-K91 HydrophobicContact CE2-CD 4.42Å; Y80-K91 HydrophobicContact CE2-CG 3.89Å
81T90.1Very high87Confident18 Ų1867.2 Ų67.211%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-103.6141.1170-161.20000110.5F56 S57 I59 A87F56-T81 CarbonylContact C-O 3.46Å; F56-T81 VanDerWaalsContact CA-O 3.23Å; F56-T81 WeakPolarHBondContact CA-O 3.34Å; S57-T81 PolarHBondContact N-O 2.82Å; S57-T81 PolarHBondContact O-N 3.2Å; I59-T81 HydrophobicContact CD1-CG2 3.18Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å; T81-A87 WeakPolarHBondContact CA-O 3.36Å
82C88.3Confident86.9Confident1 Ų163.5 Ų63.51%0.00736%0.357CS..EExtended strand (participates in β ladder)trans-86.5126.4169.6178.70000111H54 T55 F56 N84 C85 S86 A87H54-C82 PolarHBondContact ND1-SG 3.2Å; T55-C82 CarbonylContact O-C 3.53Å; T55-C82 WeakPolarHBondContact O-CA 3.36Å; F56-C82 HydrophobicContact CD1-CB 3.87Å; F56-C82 HydrophobicContact CE1-CB 3.68Å; F56-C82 HydrophobicContact CZ-CB 4.46Å; C82-N84 PolarHBondContact O-N 3.24Å; C82-N84 PolarHBondContact SG-N 2.97Å; C82-C85 WeakPolarHBondContact CB-SG 3.29Å; C82-C85 PolarHBondContact SG-N 3.41Å; C82-S86 WeakPolarHBondContact O-CA 3.33Å; C82-S86 PolarHBondContact O-N 2.91Å; C82-A87 PolarHBondContact N-O 3.48Å
83A85.3Confident86.8Confident81 Ų8157.8 Ų57.867%0.66933%0.334SS*.THydrogen-bonded Turntrans-62.7-27.2175.900000113.2T55T55-A83 PolarHBondContact O-N 3.29Å
84N83.1Confident86.7Confident54 Ų5457.7 Ų57.729%0.28932%0.323SS..THydrogen-bonded Turntrans-86.8-42.4-176-66.360.5000112.6T55 C82 C100 K102 V103T55-N84 PolarHBondContact OG1-OD1 3.17Å; C82-N84 PolarHBondContact O-N 3.24Å; C82-N84 PolarHBondContact SG-N 2.97Å; N84-C100 WeakPolarHBondContact CB-SG 3.21Å; N84-K102 WeakPolarHBondContact O-CB 3.48Å; N84-K102 WeakPolarHBondContact O-CD 3.48Å; N84-V103 HydrophobicContact CB-CG2 4.19Å; N84-V103 WeakPolarHBondContact ND2-CG1 3.37Å
85C85Confident86.5Confident24 Ų2462.8 Ų62.816%0.16235%0.347CS..THydrogen-bonded Turntrans-109.8-4.4-178.565.50000115.1H54 C82 A87 K102H54-C85 VanDerWaalsContact CE1-SG 3.58Å; H54-C85 PolarHBondContact ND1-SG 3.3Å; C82-C85 WeakPolarHBondContact CB-SG 3.29Å; C82-C85 PolarHBondContact SG-N 3.41Å; C85-A87 PolarHBondContact O-N 3.17Å; C85-A87 VanDerWaalsContact O-N 3.17Å; C85-A87 VanDerWaalsContact SG-CB 3.55Å; C85-K102 HydrophobicContact CB-CD 4.46Å; C85-K102 HydrophobicContact CB-CG 4.28Å; C85-K102 PolarHBondContact O-NZ 3.27Å
86S85.7Confident86.4Confident72 Ų7259.9 Ų59.950%0.50333%0.332SS..  trans53.823.3-175.466.10000114.2C82C82-S86 WeakPolarHBondContact O-CA 3.33Å; C82-S86 PolarHBondContact O-N 2.91Å
87A88.3Confident86.6Confident19 Ų1956.3 Ų56.316%0.15731%0.313CS..  trans-80.8137.3177.700000110.5T81 C82 C85T81-A87 WeakPolarHBondContact CA-O 3.36Å; C82-A87 PolarHBondContact N-O 3.48Å; C85-A87 PolarHBondContact O-N 3.17Å; C85-A87 VanDerWaalsContact O-N 3.17Å; C85-A87 VanDerWaalsContact SG-CB 3.55Å
88F90Very high86.6Confident72 Ų7252.6 Ų52.632%0.31631%0.31SS..EExtended strand (participates in β ladder)trans-94.8130.2174.9-59.6-83.6000110.6I65 S68 F74 Y80I65-F88 HydrophobicContact CG2-CB 3.99Å; I65-F88 HydrophobicContact CG2-CD1 4.45Å; I65-F88 HydrophobicContact CG2-CD2 4.05Å; I65-F88 HydrophobicContact CG2-CG 3.91Å; S68-F88 PolarHBondContact N-O 3.48Å; F74-F88 HydrophobicContact CE2-CB 3.86Å; F74-F88 HydrophobicContact CZ-CB 4.02Å; Y80-F88 CarbonylContact O-C 3.51Å; Y80-F88 VanDerWaalsContact O-CA 3.31Å; Y80-F88 WeakPolarHBondContact O-CA 3.42Å
89V90.8Very high86.3Confident0 Ų052.4 Ų52.40%031%0.314CS..EExtended strand (participates in β ladder)trans-141.1155.8178.1-72.80000113.9F56 Q69 F74 Y80 C93 R94 L97F56-V89 HydrophobicContact CD1-CG2 4.02Å; F56-V89 HydrophobicContact CE1-CG2 3.64Å; F56-V89 HydrophobicContact CZ-CG2 4.36Å; Q69-V89 HydrophobicContact CG-CG1 4.06Å; F74-V89 VanDerWaalsContact CE1-C 3.45Å; F74-V89 WeakPolarHBondContact CE1-O 3.33Å; F74-V89 VanDerWaalsContact CZ-C 3.46Å; Y80-V89 WeakPolarHBondContact CB-O 3.39Å; Y80-V89 PolarHBondContact N-O 2.86Å; Y80-V89 PolarHBondContact O-N 3.3Å; V89-C93 HydrophobicContact CB-CB 3.91Å; V89-C93 HydrophobicContact CG1-CB 4.22Å; V89-R94 HydrophobicContact CG2-CB 4.22Å; V89-L97 HydrophobicContact CB-CD1 4.07Å; V89-L97 HydrophobicContact CG1-CD1 3.41Å; V89-L97 VanDerWaalsContact CG1-CD1 3.41Å; V89-L97 HydrophobicContact CG1-CD2 4.14Å; V89-L97 HydrophobicContact CG1-CG 3.85Å; V89-L97 HydrophobicContact CG2-CD1 3.68Å
90H91.6Very high86Confident46 Ų4652.6 Ų52.621%0.21332%0.316CS..  trans-68160.8169.2-62.3119.7000111.6C67 C70 F74 G92 C93 R94C67-H90 WeakPolarHBondContact CB-CE1 3.31Å; C67-H90 WeakPolarHBondContact CB-ND1 3.42Å; C70-H90 PolarHBondContact SG-CE1 3.16Å; C70-H90 PolarHBondContact SG-ND1 3.47Å; F74-H90 AromaticContact CD1-CD2 3.3Å; F74-H90 WeakPolarHBondContact CD1-CD2 3.3Å; F74-H90 AromaticContact CD1-NE2 3.44Å; F74-H90 WeakPolarHBondContact CD1-NE2 3.08Å; F74-H90 AromaticContact CE1-CD2 3.31Å; F74-H90 WeakPolarHBondContact CE1-CD2 3.34Å; F74-H90 AromaticContact CE1-CG 3.92Å; F74-H90 AromaticContact CE1-NE2 3.71Å; F74-H90 AromaticContact CG-NE2 3.97Å; H90-G92 PolarHBondContact O-N 3.49Å; H90-G92 VanDerWaalsContact O-N 3.17Å; H90-C93 HydrophobicContact CB-CB 4.16Å; H90-C93 PolarHBondContact O-N 2.88Å; H90-R94 PolarHBondContact O-N 3.37Å
91K88.6Confident85Confident137 Ų13753.6 Ų53.660%0.59634%0.335SS*.THydrogen-bonded Turntrans-51.4-38.6173.9-167.7167.7179.8-79.70113.2Y80 R94Y80-K91 HydrophobicContact CD2-CB 4.31Å; Y80-K91 HydrophobicContact CE2-CB 3.66Å; Y80-K91 HydrophobicContact CE2-CD 4.42Å; Y80-K91 HydrophobicContact CE2-CG 3.89Å; K91-R94 WeakPolarHBondContact O-CD 3.39Å; K91-R94 VanDerWaalsContact O-CG 3.29Å; K91-R94 WeakPolarHBondContact O-CG 3.47Å; K91-R94 PolarHBondContact O-NE 2.72Å
92G87.6Confident83.4Confident62 Ų6258.6 Ų58.664%0.63936%0.355SS*.THydrogen-bonded Turntrans-82.5-23.8177.100000114.5H90 R94H90-G92 PolarHBondContact O-N 3.49Å; H90-G92 VanDerWaalsContact O-N 3.17Å; G92-R94 VanDerWaalsContact C-N 3.34Å
93C89Confident81.9Confident19 Ų1961.4 Ų61.413%0.12837%0.372CS..Hα-helixtrans-82.2-12.7-178.8-67.20000113.2C67 Q69 V89 H90 E95 S96 L97C67-C93 VanDerWaalsContact SG-SG 3.66Å; Q69-C93 HydrophobicContact CB-CB 3.85Å; Q69-C93 HydrophobicContact CG-CB 4.15Å; V89-C93 HydrophobicContact CB-CB 3.91Å; V89-C93 HydrophobicContact CG1-CB 4.22Å; H90-C93 HydrophobicContact CB-CB 4.16Å; H90-C93 PolarHBondContact O-N 2.88Å; C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 3.17Å; C93-S96 PolarHBondContact O-N 3.4Å; C93-L97 WeakPolarHBondContact O-CG 3.44Å; C93-L97 PolarHBondContact O-N 3.06Å; C93-L97 VanDerWaalsContact O-N 3.17Å
94R84.6Confident80.4Confident82 Ų8265.7 Ų65.731%0.30938%0.375SS..Hα-helixtrans-62.6-32.9179.878.5-170.1-178.3170.13.4113.3F56 V89 H90 K91 G92F56-R94 HydrophobicContact CD2-CB 4.19Å; F56-R94 HydrophobicContact CE2-CB 4.05Å; F56-R94 HydrophobicContact CZ-CB 4.36Å; V89-R94 HydrophobicContact CG2-CB 4.22Å; H90-R94 PolarHBondContact O-N 3.37Å; K91-R94 WeakPolarHBondContact O-CD 3.39Å; K91-R94 VanDerWaalsContact O-CG 3.29Å; K91-R94 WeakPolarHBondContact O-CG 3.47Å; K91-R94 PolarHBondContact O-NE 2.72Å; G92-R94 VanDerWaalsContact C-N 3.34Å
95E81.2Confident78.9Confident128 Ų12870.3 Ų70.360%0.59840%0.397SS*.Hα-helixtrans-90.1-23.1-177.8-79155.3-155.100112.1C93C93-E95 VanDerWaalsContact C-N 3.27Å; C93-E95 PolarHBondContact O-N 3.17Å
96S83.1Confident77.2Confident78 Ų7878.3 Ų78.355%0.54543%0.429SS..Hα-helixtrans-88.5-4.9173.998.90000113.5C93C93-S96 PolarHBondContact O-N 3.4Å
97L79.6Confident75.3Confident16 Ų1681.2 Ų81.28%0.08444%0.435CS..SBendtrans-65.5132173.7-93.7169.7000110.2F56 Q69 V89 C93F56-L97 HydrophobicContact CE1-CD1 3.54Å; F56-L97 HydrophobicContact CE2-CD1 4.48Å; F56-L97 HydrophobicContact CZ-CD1 3.3Å; Q69-L97 HydrophobicContact CG-CD2 3.58Å; Q69-L97 HydrophobicContact CG-CG 3.57Å; V89-L97 HydrophobicContact CB-CD1 4.07Å; V89-L97 HydrophobicContact CG1-CD1 3.41Å; V89-L97 VanDerWaalsContact CG1-CD1 3.41Å; V89-L97 HydrophobicContact CG1-CD2 4.14Å; V89-L97 HydrophobicContact CG1-CG 3.85Å; V89-L97 HydrophobicContact CG2-CD1 3.68Å; C93-L97 WeakPolarHBondContact O-CG 3.44Å; C93-L97 PolarHBondContact O-N 3.06Å; C93-L97 VanDerWaalsContact O-N 3.17Å
98A80.7Confident73.3Confident73 Ų7385.2 Ų85.260%0.60346%0.459SS*.PPolyproline II helixtrans-57.1161.8167.100000111.2H54H54-A98 PolarHBondContact NE2-O 2.88Å
99S80.4Confident71.4Confident66 Ų6691.5 Ų91.546%0.46249%0.486SS..PPolyproline II helixtrans-55.5147.9-178.962.20000112.4N52 A101N52-S99 VanDerWaalsContact CG-CA 3.41Å; N52-S99 VanDerWaalsContact CG-CB 3.43Å; N52-S99 WeakPolarHBondContact ND2-CA 3.34Å; N52-S99 PolarHBondContact ND2-N 3.3Å; N52-S99 VanDerWaalsContact ND2-N 3.16Å; N52-S99 WeakPolarHBondContact O-CA 3.48Å; N52-S99 WeakPolarHBondContact OD1-CB 3.36Å; S99-A101 PolarHBondContact O-N 3.2Å
100C82.8Confident69.3Low6 Ų694.5 Ų94.54%0.04152%0.517CS..  trans-66.5108.7-173.1-169.90000110.7N52 G53 H54 N84 K102 V103N52-C100 PolarHBondContact O-N 2.98Å; G53-C100 WeakPolarHBondContact O-CB 3.25Å; H54-C100 HydrophobicContact CB-CB 4.49Å; H54-C100 WeakPolarHBondContact CE1-CA 3.35Å; H54-C100 WeakPolarHBondContact CE1-CB 3.34Å; H54-C100 WeakPolarHBondContact ND1-CB 3.34Å; H54-C100 PolarHBondContact ND1-SG 2.88Å; H54-C100 VanDerWaalsContact NE2-CA 3.34Å; H54-C100 WeakPolarHBondContact NE2-CA 3.48Å; H54-C100 PolarHBondContact NE2-N 2.97Å; H54-C100 VanDerWaalsContact NE2-N 3.16Å; N84-C100 WeakPolarHBondContact CB-SG 3.21Å; C100-K102 VanDerWaalsContact C-N 3.3Å; C100-K102 PolarHBondContact O-N 3.21Å; C100-V103 HydrophobicContact CB-CG2 3.38Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 3.36Å; C100-V103 VanDerWaalsContact SG-CG2 3.5Å
101A69.1Low67Low72 Ų7297 Ų9760%0.59554%0.54SS*.G310 helixtrans-63.6-34.3-176.100000112.6S99 V103 K104 M105S99-A101 PolarHBondContact O-N 3.2Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; A101-K104 PolarHBondContact O-N 3.34Å; A101-M105 VanDerWaalsContact O-SD 3.38Å
102K57.8Low65.1Low123 Ų12399 Ų9954%0.53556%0.556SS.*G310 helixtrans-72.7-17.7-176.4-67.5-160.8-165.8153.60114.4N84 C85 C100N84-K102 WeakPolarHBondContact O-CB 3.48Å; N84-K102 WeakPolarHBondContact O-CD 3.48Å; C85-K102 HydrophobicContact CB-CD 4.46Å; C85-K102 HydrophobicContact CB-CG 4.28Å; C85-K102 PolarHBondContact O-NZ 3.27Å; C100-K102 VanDerWaalsContact C-N 3.3Å; C100-K102 PolarHBondContact O-N 3.21Å
103V55.2Low62.8Low60 Ų60102.8 Ų102.836%0.36456%0.557SS.*G310 helixtrans-84.9-16175-127.10000112.5G53 N84 C100 A101 M105G53-V103 WeakPolarHBondContact O-CG2 3.05Å; N84-V103 HydrophobicContact CB-CG2 4.19Å; N84-V103 WeakPolarHBondContact ND2-CG1 3.37Å; C100-V103 HydrophobicContact CB-CG2 3.38Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 3.36Å; C100-V103 VanDerWaalsContact SG-CG2 3.5Å; A101-V103 VanDerWaalsContact C-N 3.32Å; A101-V103 PolarHBondContact O-N 3.4Å; V103-M105 PolarHBondContact O-N 2.96Å
104K54.3Low61Low171 Ų171105.9 Ų105.974%0.74358%0.584SS**G310 helixtrans-75.1-4.3-179.7-146.2176.3-179.8-170.20113.2A101A101-K104 PolarHBondContact O-N 3.34Å
105M51.2Low59.1Low151 Ų151108.6 Ų108.674%0.74460%0.6SS**G310 helixtrans-96.8-17.7-177.3-21.8-60.5-100.300113.5A101 V103 Q107A101-M105 VanDerWaalsContact O-SD 3.38Å; V103-M105 PolarHBondContact O-N 2.96Å; M105-Q107 PolarHBondContact O-N 3.06Å
106K50Low57.3Low192 Ų192108.8 Ų108.884%0.83561%0.605SS**  trans-91.264.2165.2-113.5177.4176.8-1700108.5P108K106-P108 WeakPolarHBondContact O-CD 3.24Å
107Q45.5Very low55.9Low133 Ų133110.9 Ų110.962%0.62162%0.615SS**  trans-43.8126.1148.6-83.6-91.9-3500107.9M105 K109M105-Q107 PolarHBondContact O-N 3.06Å; Q107-K109 HydrophobicContact CB-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.16Å
108P47.6Very low54.7Low102 Ų102115.7 Ų115.766%0.66265%0.65SS**  trans-58.694138.126-27.4000105.5K106 G110K106-P108 WeakPolarHBondContact O-CD 3.24Å; P108-G110 PolarHBondContact O-N 2.78Å
109K48.5Very low53.6Low204 Ų204118 Ų11889%0.88766%0.661SS**SBendtrans-59.187.8155.1-89.1160.4172.71710105Q107Q107-K109 HydrophobicContact CB-CG 4.38Å; Q107-K109 PolarHBondContact O-N 3.16Å
110G47.8Very low52Low64 Ų64122.7 Ų122.766%0.6668%0.681SS**  trans160.132.1-170.200000116.4P108P108-G110 PolarHBondContact O-N 2.78Å
111S43Very low50.4Low99 Ų99128 Ų12869%0.69272%0.715SS**  trans-144.143.5154.481.90000112.1Q113S111-Q113 PolarHBondContact O-N 3.48Å
112L48.2Very low50Low177 Ų177130.8 Ų130.893%0.92773%0.725SS**  trans-86.969.5132.9-70.1-174.8000105.9A114L112-A114 PolarHBondContact O-N 2.96Å
113Q40.4Very low49.7Very low142 Ų142131 Ų13166%0.66474%0.736SS**  trans-79.577.2159.5-134.2-179.434.300104.2S111 H115S111-Q113 PolarHBondContact O-N 3.48Å; Q113-H115 WeakPolarHBondContact CB-ND1 3.28Å; Q113-H115 VanDerWaalsContact CD-ND1 3.3Å; Q113-H115 VanDerWaalsContact CG-ND1 3.28Å; Q113-H115 WeakPolarHBondContact CG-ND1 3.41Å; Q113-H115 PolarHBondContact O-CE1 3.41Å; Q113-H115 PolarHBondContact O-N 3.04Å; Q113-H115 PolarHBondContact OE1-CE1 2.9Å; Q113-H115 PolarHBondContact OE1-ND1 3.17Å
114A50Low50Low84 Ų84134.6 Ų134.669%0.69475%0.752SS**  trans-66.678.8144.200000104.7L112 D116L112-A114 PolarHBondContact O-N 2.96Å; A114-D116 PolarHBondContact O-N 3Å
115H44.3Very low49.7Very low139 Ų139135 Ų13564%0.64476%0.759SS**  trans-69.490.4155.322.3-106000104.9Q113 T117Q113-H115 WeakPolarHBondContact CB-ND1 3.28Å; Q113-H115 VanDerWaalsContact CD-ND1 3.3Å; Q113-H115 VanDerWaalsContact CG-ND1 3.28Å; Q113-H115 WeakPolarHBondContact CG-ND1 3.41Å; Q113-H115 PolarHBondContact O-CE1 3.41Å; Q113-H115 PolarHBondContact O-N 3.04Å; Q113-H115 PolarHBondContact OE1-CE1 2.9Å; Q113-H115 PolarHBondContact OE1-ND1 3.17Å; H115-T117 PolarHBondContact O-N 3.4Å
116D44.9Very low50.1Low133 Ų133139.4 Ų139.471%0.71177%0.767SS**  trans-34.9130.6146.1-89.8-77.4000109.6A114A114-D116 PolarHBondContact O-N 3Å
117T53.8Low50Low121 Ų121137.9 Ų137.974%0.74277%0.768SS**SBendtrans56.9109.8151.746.10000118.1H115H115-T117 PolarHBondContact O-N 3.4Å
118S53.2Low50.2Low118 Ų118140.4 Ų140.483%0.82578%0.777SS**  145.973.8115.974.50000113.1
119S56.9Low50.5Low120 Ų120141.4 Ų141.484%0.83978%0.783SS**  trans-16663.6148.5-131.10000111.8
120L48Very low50.1Low166 Ų166137.3 Ų137.387%0.86978%0.781SS**SBendtrans-138.7141.6148.4-76.8-176.1000108.2
121P49.1Very low50.3Low117 Ų117142.2 Ų142.276%0.7679%0.786SS**  trans-74.2147.1-156.830.7-34.4000111.8V123P121-V123 PolarHBondContact O-N 3.32Å
122T60.8Low50.6Low130 Ų130141.5 Ų141.580%0.79878%0.779SS**  trans-23.2111.4162.4-63.40000113.9
123V51.3Low50.5Low128 Ų128141.7 Ų141.778%0.77677%0.773SS**  trans-153.7100.7135.3-170.50000110.7P121P121-V123 PolarHBondContact O-N 3.32Å
124I61.6Low50.8Low135 Ų135144.1 Ų144.169%0.69278%0.784SS**  trans26.9123.5134.2-42.5165.5000117.9
125M47.1Very low51.1Low180 Ų180150.2 Ų150.289%0.88779%0.789SS**  -162.6116.6121.6-88.1-101.581.700109.2N127M125-N127 PolarHBondContact O-N 2.94Å
126R60.4Low51.5Low243 Ų243150.2 Ų150.292%0.91780%0.801SS**  trans-74.8113.7-179.8-178.8-172.7-86.2146.1-9.3108.3
127N47.1Very low51.7Low161 Ų161154.5 Ų154.586%0.86181%0.807SS**  trans-128138.8164.5-150.255000112.6M125M125-N127 PolarHBondContact O-N 2.94Å
128K50.4Low51.9Low185 Ų185153.6 Ų153.680%0.80481%0.806SS**  trans-53.1147.5-171.8-157.480.6166.9-173.80113.4
129P53.5Low51.6Low123 Ų123153 Ų15380%0.79981%0.808SS**  trans-82.6128.8177.832.9-32.7000111.5
130S40.8Very low51.3Low119 Ų119153.9 Ų153.983%0.83281%0.808SS**  trans-132.186.5155.661.30000109.2
131Q50.8Low51.7Low166 Ų166153.9 Ų153.978%0.77681%0.808SS**  trans-66.8172.4152.6-84.6-111.1-6.100109
132P50.6Low51.4Low84 Ų84156.3 Ų156.355%0.54581%0.814SS.*  cis-147.7-173-41.140.6-23.2000113.6
133K46.2Very low50.6Low182 Ų182156 Ų15679%0.79181%0.812SS**  trans63.9104.2161.5-82.7110.5168.7176.20116.2
134E46.9Very low50Low192 Ų192156 Ų15690%0.89781%0.807SS**  -162.5155.5109.8-115.8-159.712200112.3
135R55.5Low49.6Very low213 Ų213157.1 Ų157.180%0.80481%0.81SS**  trans-54.7151.3-171.8-76.6166.6149.980.1-0.7113.3R137R135-R137 PolarHBondContact O-N 2.81Å
136P52.7Low49.4Very low138 Ų138155.4 Ų155.490%0.89681%0.809SS**  trans-70.897.4166.731-31000108.6
137R49.3Very low48.3Very low223 Ų223148 Ų14884%0.84280%0.8SS**  trans-112.4120.4166.4-118.9-168.5-178.5164.20.4109.7R135R135-R137 PolarHBondContact O-N 2.81Å
138S58.3Low48.1Very low103 Ų103146.1 Ų146.172%0.7279%0.794SS**  trans51.576.2146.657.20000116.4V140S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.23Å
139A45.9Very low48.2Very low104 Ų104142.3 Ų142.386%0.8679%0.787SS**  trans-78.586.1152.800000109
140V50.5Low48.3Very low139 Ų139142.1 Ų142.184%0.84279%0.786SS**  trans-136.8123.9148.6-163.50000106.5S138S138-V140 VanDerWaalsContact C-N 3.33Å; S138-V140 PolarHBondContact O-N 3.23Å
141L55.8Low48.9Very low166 Ų166143 Ų14387%0.86978%0.78SS**  trans-73.1157.7-167.3-63.7169.7000113.2
142L43.8Very low49Very low168 Ų168144.7 Ų144.788%0.8879%0.785SS**  trans100.399.1147.8-149.864.6000117.6
143V43.2Very low48.7Very low125 Ų125144.5 Ų144.576%0.75879%0.79SS**  trans-69130.7140.51270000105.7
144D40.5Very low48.9Very low127 Ų127142.5 Ų142.568%0.67979%0.788SS**  -163.8158.866.3-165.8-122.8000111.9
145E51.6Low49.1Very low159 Ų159145 Ų14574%0.74379%0.789SS**  trans-57146.3-174.9-61167.469.400114.7
146T42.6Very low49Very low144 Ų144144.7 Ų144.788%0.88379%0.788SS**  173.6140.8127.630.60000112.3
147A38.4Very low48.7Very low87 Ų87142.8 Ų142.872%0.71978%0.778SS**  trans82.395155.700000119.6
148T43.7Very low48.9Very low121 Ų121140 Ų14074%0.74278%0.775SS**  72119111.4-52.30000119.6
149T52.4Low48.5Very low105 Ų105143.5 Ų143.564%0.64478%0.78SS**  trans86129.3153.259.70000120.9
150P55.2Low48.5Very low119 Ų119143.2 Ų143.277%0.77377%0.772SS**  trans-86.1113.5167.133.7-26.5000109.2
151I52.2Low48.6Very low139 Ų139142.9 Ų142.971%0.71377%0.77SS**  trans-115102.2172.9-55.2177.7000108.2A153I151-A153 PolarHBondContact O-N 3.23Å
152F52.8Low48.5Very low201 Ų201140.1 Ų140.188%0.88276%0.764SS**  trans-55.4107.1160.7-82.1-94.9000108.9
153A44.4Very low48.7Very low80 Ų80140.3 Ų140.366%0.66177%0.765SS**  trans-114.582.7170.200000109.5I151 R155I151-A153 PolarHBondContact O-N 3.23Å; A153-R155 PolarHBondContact O-N 2.95Å
154N51Low49.3Very low140 Ų140140.5 Ų140.575%0.74977%0.772SS**  22.778.5128.6-167.924.8000115.8R156N154-R156 PolarHBondContact O-N 3.06Å; N154-R156 PolarHBondContact OD1-N 3.2Å
155R50.5Low50Low244 Ų244144 Ų14492%0.92178%0.781SS**  trans-84.882.8150.9-74.5-158.9-168-89.30.7108.2A153 S157A153-R155 PolarHBondContact O-N 2.95Å; R155-S157 PolarHBondContact O-N 3.4Å
156R53.5Low50.2Low207 Ų207145.9 Ų145.978%0.78181%0.812SS**  trans-50.486.3157.2-17879.7179.2-169.11.9108.4N154 Q158N154-R156 PolarHBondContact O-N 3.06Å; N154-R156 PolarHBondContact OD1-N 3.2Å; R156-Q158 PolarHBondContact O-N 3.07Å
157S46.2Very low50.6Low98 Ų98146 Ų14669%0.68581%0.808SS**  trans-67.2112.5162.4-173.90000106.6R155 Q159R155-S157 PolarHBondContact O-N 3.4Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.22Å
158Q54.4Low51.2Low165 Ų165149.1 Ų149.177%0.77181%0.813SS**  trans-64.893.4167-76.5-138.55200108.6R156R156-Q158 PolarHBondContact O-N 3.07Å
159Q49Very low51.7Low175 Ų175150.7 Ų150.782%0.81882%0.817SS**  trans-114.391.7147.5-79.1-170.7-3000106.6S157 V161S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.22Å; Q159-V161 PolarHBondContact O-N 3.46Å
160S46.2Very low51.6Low99 Ų99153.4 Ų153.469%0.69283%0.827SS**  trans-78.3102.6160.543.40000107.9
161V53.5Low51.4Low132 Ų132155.5 Ų155.580%0.883%0.831SS**  trans-76.4127.2151.9-70.20000107.7Q159Q159-V161 PolarHBondContact O-N 3.46Å
162S52.6Low51.3Low108 Ų108156.6 Ų156.676%0.75584%0.838SS**  trans-167.3118.9151.7310000110.8
163L49Very low51.2Low172 Ų172153.4 Ų153.490%0.90184%0.835SS**  trans-56.5144.9166.1-65114.2000111.3
164S55.8Low51.8Low128 Ų128159.1 Ų159.190%0.89585%0.849SS**  trans-139.6126.1150.5-65.20000109.4
165K55.2Low51.8Low201 Ų201160.7 Ų160.787%0.87486%0.857SS**  trans-111.5124178.9175.3175.4169.8175.50105.7
166S55.9Low51.9Low199 Ų199153.1 Ų153.1100%1.39285%0.851SS**  trans-164.60155.8-87.80000108.3

Retrieved 166 of 166 residues in 108.3 ms (Link to these results)