A0A077ZDF4_TRITR Loading...

U3 small nucleolar RNA associated

AlphaFold DB , UniProt , Accession A0A077ZDF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M63Low67.9Low238 Ų238180.5 Ų180.5100%1.17284%0.84SS**  084.30-66.3-95.2-151.900108.7
2H58.7Low68.8Low198 Ų198173.8 Ų173.892%0.91781%0.814SS**  trans-85.7110.1171.4-81.8-3.3000108.4
3R65Low69.7Low245 Ų245165.8 Ų165.893%0.92579%0.785SS**  trans-80.3111.5167.3-91.2-179.8171.2175-2.9107.6K5R3-K5 PolarHBondContact O-N 3.37Å
4E69.9Low70.6Confident189 Ų189160.1 Ų160.188%0.88376%0.757SS**PPolyproline II helixtrans-62.7129.7166.7-68.8-173.8155.400109.3
5K67.6Low71.5Confident194 Ų194156.3 Ų156.384%0.84374%0.737SS**PPolyproline II helixtrans-71139.9173.6-74.5-173.8177-177.70109.5R3 K7R3-K5 PolarHBondContact O-N 3.37Å; K5-K7 PolarHBondContact O-N 3.31Å
6P66.4Low72Confident126 Ų126152.8 Ų152.882%0.81872%0.723SS**PPolyproline II helixtrans-62.6131.1174.925.5-31.8000110.3E8P6-E8 PolarHBondContact O-N 3.04Å
7K66.4Low72.5Confident198 Ų198147.1 Ų147.186%0.86170%0.704SS**PPolyproline II helixtrans-64.9127.8173.8-70.1178.9178.5175.40109.3K5 K9K5-K7 PolarHBondContact O-N 3.31Å; K7-K9 PolarHBondContact O-N 3.25Å
8E68.9Low73.3Confident184 Ų184147.9 Ų147.986%0.8670%0.698SS**PPolyproline II helixtrans-52.6122.8170.3-166.5166.8-171.200108.7P6 D10P6-E8 PolarHBondContact O-N 3.04Å; E8-D10 PolarHBondContact O-N 3.44Å
9K64.6Low73.8Confident156 Ų156144.6 Ų144.668%0.67868%0.684SS**PPolyproline II helixtrans-78.8121.4178.6-69.5-179.8-179.4175.40107.5K7 E11K7-K9 PolarHBondContact O-N 3.25Å; K9-E11 PolarHBondContact O-N 3.13Å
10D76.4Confident74.2Confident116 Ų116142.9 Ų142.962%0.6268%0.679SS**PPolyproline II helixtrans-56.9131.3175.2-59.4-46.6000109.3E8 D12 T13E8-D10 PolarHBondContact O-N 3.44Å; D10-D12 PolarHBondContact O-N 2.91Å; D10-T13 HydrophobicContact CB-CG2 4.34Å; D10-T13 WeakPolarHBondContact O-CB 3.46Å; D10-T13 PolarHBondContact O-N 3.33Å; D10-T13 PolarHBondContact O-OG1 3.1Å
11E80.2Confident74.5Confident141 Ų141141.6 Ų141.666%0.65968%0.676SS**Hα-helixtrans-49.8-30.2179.8-64.4-176.617200112.9K9 E14 K15K9-E11 PolarHBondContact O-N 3.13Å; E11-E14 PolarHBondContact O-N 2.9Å; E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.86Å; E11-K15 IonicContact OE2-NZ 3.7Å
12D78.7Confident75.5Confident100 Ų100136.5 Ų136.554%0.53565%0.65SS.*Hα-helixtrans-68.6-34.1178.8-67.5-16.9000112.5D10 E14 K15 I16D10-D12 PolarHBondContact O-N 2.91Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.45Å; D12-K15 PolarHBondContact O-N 3.34Å; D12-K15 IonicContact OD1-NZ 3.32Å; D12-K15 PolarHBondContact OD1-NZ 3.46Å; D12-I16 WeakPolarHBondContact O-CB 3.43Å; D12-I16 WeakPolarHBondContact O-CD1 3.44Å; D12-I16 WeakPolarHBondContact O-CG1 2.95Å; D12-I16 PolarHBondContact O-N 3.37Å
13T80.3Confident76.4Confident71 Ų71131.9 Ų131.944%0.43663%0.627SS.*Hα-helixtrans-65.9-36.4174.860.90000111.6D10 S17D10-T13 HydrophobicContact CB-CG2 4.34Å; D10-T13 WeakPolarHBondContact O-CB 3.46Å; D10-T13 PolarHBondContact O-N 3.33Å; D10-T13 PolarHBondContact O-OG1 3.1Å; T13-S17 WeakPolarHBondContact O-CB 3.44Å; T13-S17 PolarHBondContact O-N 3.21Å
14E82.1Confident76.8Confident85 Ų85122.2 Ų122.240%0.39760%0.603SS.*Hα-helixtrans-68.7-43.9174.9-62.6-163.6167.500111.7E11 D12 I16 S17 R18E11-E14 PolarHBondContact O-N 2.9Å; D12-E14 VanDerWaalsContact C-N 3.3Å; D12-E14 PolarHBondContact O-N 3.45Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.21Å; E14-S17 WeakPolarHBondContact CA-OG 3.01Å; E14-S17 PolarHBondContact O-N 3.42Å; E14-S17 PolarHBondContact O-OG 2.95Å; E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.28Å
15K85.1Confident76.9Confident104 Ų104117.4 Ų117.445%0.45259%0.591SS.*Hα-helixtrans-58.5-46.1175.3-69.5168.3-163.7156.50111.4E11 D12 S17 R18 I19E11-K15 WeakPolarHBondContact O-CG 3.3Å; E11-K15 PolarHBondContact O-N 2.86Å; E11-K15 IonicContact OE2-NZ 3.7Å; D12-K15 PolarHBondContact O-N 3.34Å; D12-K15 IonicContact OD1-NZ 3.32Å; D12-K15 PolarHBondContact OD1-NZ 3.46Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.4Å; K15-R18 PolarHBondContact O-N 3.07Å; K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.37Å; K15-I19 VanDerWaalsContact O-N 3.08Å
16I78.8Confident77.2Confident100 Ų100113.2 Ų113.251%0.51358%0.576SS.*Hα-helixtrans-61.3-43.4176.9-67.9163.8000110.5D12 E14 R18 I19 L20D12-I16 WeakPolarHBondContact O-CB 3.43Å; D12-I16 WeakPolarHBondContact O-CD1 3.44Å; D12-I16 WeakPolarHBondContact O-CG1 2.95Å; D12-I16 PolarHBondContact O-N 3.37Å; E14-I16 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 3.21Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.47Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 3.2Å
17S81.2Confident77Confident56 Ų56110.7 Ų110.739%0.39255%0.553SS.*Hα-helixtrans-64.3-36.4178.974.60000113.3T13 E14 K15 N21T13-S17 WeakPolarHBondContact O-CB 3.44Å; T13-S17 PolarHBondContact O-N 3.21Å; E14-S17 WeakPolarHBondContact CA-OG 3.01Å; E14-S17 PolarHBondContact O-N 3.42Å; E14-S17 PolarHBondContact O-OG 2.95Å; K15-S17 VanDerWaalsContact C-N 3.33Å; K15-S17 PolarHBondContact O-N 3.4Å; S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 VanDerWaalsContact O-N 3.08Å; S17-N21 PolarHBondContact O-ND2 2.79Å
18R86.5Confident76.8Confident161 Ų161104.4 Ų104.461%0.60854%0.538SS*.Hα-helixtrans-65-47.2175.1-71.8-177.2-163.1-176.46.8111.4E14 K15 I16 L20 N21 E22E14-R18 WeakPolarHBondContact O-CG 3.41Å; E14-R18 PolarHBondContact O-N 3.28Å; K15-R18 PolarHBondContact O-N 3.07Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.47Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.07Å; R18-N21 PolarHBondContact O-N 2.87Å; R18-E22 PolarHBondContact O-N 3.33Å
19I83.1Confident76.2Confident85 Ų8598.1 Ų98.144%0.43652%0.522SS..Hα-helixtrans-59.3-45.2178.1-68.9168.7000110.5K15 I16 N21 E22 F23K15-I19 WeakPolarHBondContact O-CG1 3.5Å; K15-I19 PolarHBondContact O-N 3.37Å; K15-I19 VanDerWaalsContact O-N 3.08Å; I16-I19 PolarHBondContact O-N 2.88Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.31Å; I19-E22 PolarHBondContact O-N 3.49Å; I19-F23 HydrophobicContact CG2-CD2 3.54Å; I19-F23 HydrophobicContact CG2-CE2 3.3Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.88Å
20L80.3Confident75.7Confident111 Ų11194.3 Ų94.358%0.58151%0.514SS*.Hα-helixtrans-63.4-37.4177.9-70.9173.5000112.9I16 R18 F23 G24I16-L20 HydrophobicContact CG2-CD1 3.98Å; I16-L20 HydrophobicContact CG2-CG 4.4Å; I16-L20 WeakPolarHBondContact O-CG 3.25Å; I16-L20 PolarHBondContact O-N 3.2Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.07Å; L20-F23 PolarHBondContact O-N 2.9Å; L20-G24 PolarHBondContact O-N 3.26Å
21N81.1Confident74.8Confident116 Ų11696.8 Ų96.862%0.6252%0.522SS*.Hα-helixtrans-70.4-37.5176.6-75.5-17.2000112.5S17 R18 I19 G24 S25S17-N21 PolarHBondContact O-N 3.3Å; S17-N21 VanDerWaalsContact O-N 3.08Å; S17-N21 PolarHBondContact O-ND2 2.79Å; R18-N21 PolarHBondContact O-N 2.87Å; I19-N21 VanDerWaalsContact C-N 3.34Å; I19-N21 PolarHBondContact O-N 3.31Å; N21-G24 PolarHBondContact O-N 2.93Å; N21-S25 PolarHBondContact O-N 2.97Å; N21-S25 VanDerWaalsContact O-N 3.08Å; N21-S25 PolarHBondContact O-OG 2.97Å
22E83.5Confident73.7Confident130 Ų13098.7 Ų98.761%0.60753%0.528SS*.Hα-helixtrans-62.1-46.4172.4-76.1175.6-173.100110.8R18 I19 G24 S25 I26R18-E22 PolarHBondContact O-N 3.33Å; I19-E22 PolarHBondContact O-N 3.49Å; E22-G24 PolarHBondContact O-N 2.94Å; E22-S25 PolarHBondContact O-N 3.43Å; E22-I26 WeakPolarHBondContact O-CG1 3.21Å; E22-I26 PolarHBondContact O-N 2.85Å
23F77.7Confident72.5Confident102 Ų102100.4 Ų100.445%0.44754%0.537SS..Hα-helixtrans-61.3-43.9174.8-79.9-63000112.6I19 L20 S25 I26 F27I19-F23 HydrophobicContact CG2-CD2 3.54Å; I19-F23 HydrophobicContact CG2-CE2 3.3Å; I19-F23 WeakPolarHBondContact O-CD2 3.44Å; I19-F23 PolarHBondContact O-N 2.88Å; L20-F23 PolarHBondContact O-N 2.9Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.23Å; F23-I26 PolarHBondContact O-N 2.95Å; F23-F27 HydrophobicContact CB-CE2 4.29Å; F23-F27 HydrophobicContact CD1-CE2 4.35Å; F23-F27 WeakPolarHBondContact O-CD2 3.49Å; F23-F27 PolarHBondContact O-N 3.11Å
24G73.7Confident71.3Confident41 Ų41102.2 Ų102.242%0.42355%0.553SS.*Hα-helixtrans-59.9-37.8178.100000113.1L20 N21 E22 F27 A28L20-G24 PolarHBondContact O-N 3.26Å; N21-G24 PolarHBondContact O-N 2.93Å; E22-G24 PolarHBondContact O-N 2.94Å; G24-F27 PolarHBondContact O-N 3.23Å; G24-A28 WeakPolarHBondContact O-CB 3.4Å; G24-A28 PolarHBondContact O-N 3.45Å
25S73Confident70Confident88 Ų88106.1 Ų106.162%0.61557%0.571SS**Hα-helixtrans-69.6-35.2179.2-57.20000112.6N21 E22 F23N21-S25 PolarHBondContact O-N 2.97Å; N21-S25 VanDerWaalsContact O-N 3.08Å; N21-S25 PolarHBondContact O-OG 2.97Å; E22-S25 PolarHBondContact O-N 3.43Å; F23-S25 VanDerWaalsContact C-N 3.28Å; F23-S25 PolarHBondContact O-N 3.23Å
26I73.3Confident68.2Low106 Ų106107.2 Ų107.254%0.54459%0.587SS.*Hα-helixtrans-63.9-43.5175.3-66.3166.2000110.3E22 F23E22-I26 WeakPolarHBondContact O-CG1 3.21Å; E22-I26 PolarHBondContact O-N 2.85Å; F23-I26 PolarHBondContact O-N 2.95Å
27F62.3Low66.9Low74 Ų74111.8 Ų111.833%0.32560%0.603SS.*Hα-helixtrans-77.7-30.6-177.5-62.6-55.6000113.9F23 G24 G29 C30 E103 R107F23-F27 HydrophobicContact CB-CE2 4.29Å; F23-F27 HydrophobicContact CD1-CE2 4.35Å; F23-F27 WeakPolarHBondContact O-CD2 3.49Å; F23-F27 PolarHBondContact O-N 3.11Å; G24-F27 PolarHBondContact O-N 3.23Å; F27-G29 PolarHBondContact O-N 3.18Å; F27-C30 PolarHBondContact O-N 3.03Å; F27-E103 WeakPolarHBondContact CD1-OE1 3.36Å; F27-E103 HydrophobicContact CE1-CG 4.42Å; F27-E103 WeakPolarHBondContact CE1-OE1 3.26Å; F27-R107 VanDerWaalsContact CE1-CZ 3.46Å
28A62.8Low65.2Low66 Ų66118.5 Ų118.555%0.54563%0.628SS.*Hα-helixtrans-64.8-19.8176.600000113.5G24G24-A28 WeakPolarHBondContact O-CB 3.4Å; G24-A28 PolarHBondContact O-N 3.45Å
29G55.5Low63.5Low51 Ų51116.4 Ų116.453%0.52664%0.636SS.*THydrogen-bonded Turntrans-77.7-18.1176.200000115F27F27-G29 PolarHBondContact O-N 3.18Å
30C54.5Low61.8Low77 Ų77122.2 Ų122.252%0.5266%0.658SS.*G310 helixtrans-86.3-17.6-171.9-760000114.8F27 K32F27-C30 PolarHBondContact O-N 3.03Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 3.41Å
31E56.4Low60Low167 Ų167126.2 Ų126.278%0.7867%0.67SS**G310 helixtrans-77.8-6-174.1-77.4-175.2157.500115.1
32K57.1Low58.4Low181 Ų181127.3 Ų127.379%0.78768%0.681SS**G310 helixtrans-96.5-4.8-170.6-64.7-173.9-177.4175.60116.3C30C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 3.41Å
33N54.5Low56.3Low136 Ų136128.6 Ų128.673%0.72769%0.692SS**SBendtrans-111.59.1-172.3-66.3-12.1000115.2Q35N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.46Å
34S54.5Low55.1Low109 Ų109129.3 Ų129.376%0.76271%0.71SS**  trans-87.411.8-174.773.60000115.4
35Q54.6Low53.9Low167 Ų167134.5 Ų134.578%0.7873%0.728SS**SBendtrans-115.1124.3175.4-61.1-162.912.900110.2N33N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.46Å
36T47.4Very low52.9Low128 Ų128138 Ų13879%0.78574%0.74SS**  trans88.3100.417071.10000118
37K53.1Low51.8Low196 Ų196141.4 Ų141.485%0.85275%0.754SS**  158110.4114.4-84.3171.8-176.5178.40111.2
38E43.7Very low50.6Low196 Ų196142.6 Ų142.692%0.91678%0.777SS**  trans-77.4134.2163.2-72.1-82.2148.900109.9
39P51.4Low49.8Very low118 Ų118143.8 Ų143.877%0.76679%0.787SS**  trans-12514815329.5-13.8000114.4
40K48.2Very low49.3Very low207 Ų207150.2 Ų150.290%0.980%0.803SS**  trans-65.4152.2-169.8-72165.3170.1173.70114.8
41K41.8Very low49.1Very low194 Ų194154.1 Ų154.184%0.84382%0.819SS**  trans-67.3141.8174.6-61.8175.7177.3179.90113.2
42T47.3Very low48.4Very low139 Ų139155.8 Ų155.885%0.85383%0.827SS**  trans-141.7124.7154.941.60000109.6
43D39.5Very low48Very low157 Ų157150.1 Ų150.184%0.8481%0.813SS**  trans-85.3135.8178.4-59.9-59.1000111
44S52.1Low47.6Very low117 Ų117150.5 Ų150.582%0.81882%0.816SS**  trans-159.9128.9153.558.70000112.5
45N48.8Very low47.5Very low151 Ų151151 Ų15181%0.80781%0.81SS**  trans-62.5145.5179.4-54.8-54.1000113.1
46N53.3Low47.6Very low161 Ų161147.7 Ų147.786%0.86181%0.805SS**  trans-170.1154.3131.9-100-19.4000115.4
47E48.3Very low48Very low178 Ų178146.1 Ų146.183%0.83280%0.799SS**  trans-79153.5-161.7-67.8172.5128.200116.1
48A38.2Very low48.1Very low99 Ų99138.5 Ų138.582%0.81878%0.777SS**  trans39113143.500000120.8
49A45.9Very low48.7Very low91 Ų91135.8 Ų135.875%0.75276%0.762SS**  trans-140.6118.1142.600000109.3
50Q44.6Very low49.2Very low186 Ų186133.9 Ų133.987%0.86976%0.756SS**  trans-71.3130.7172.5-65.1169.7-34.100108.6
51N51.3Low49.7Very low158 Ų158131.1 Ų131.185%0.84575%0.75SS**  trans-145.4112.4160.7-82-40.8000109.2
52E41.7Very low50.7Low203 Ų203125.3 Ų125.395%0.94973%0.731SS**  trans-57.4124.8168.1-66.2-92.814200109.8
53A48.9Very low51.7Low61 Ų61122.6 Ų122.650%0.50472%0.717SS.*  trans-149.198.2173.300000110.8
54D45Very low53.6Low145 Ų145124.2 Ų124.278%0.77572%0.717SS**  trans4292149.4-58.8-26.3000119.2S56D54-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact O-N 3.08Å
55D52.6Low54.9Low119 Ų119122.1 Ų122.164%0.63670%0.697SS**THydrogen-bonded Turntrans-71.818178.2-89.2-22.7000116.3K59D55-K59 VanDerWaalsContact O-CD 3.24Å; D55-K59 WeakPolarHBondContact O-CD 3.38Å; D55-K59 WeakPolarHBondContact O-CE 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.5Å
56S56.7Low56.6Low97 Ų97118.6 Ų118.668%0.67868%0.681SS**THydrogen-bonded Turntrans-85-32.1-174.176.60000113.8D54D54-S56 PolarHBondContact O-N 3.38Å; D54-S56 VanDerWaalsContact O-N 3.08Å
57S55.8Low57.9Low95 Ų95115.5 Ų115.566%0.66467%0.672SS**SBendtrans-79.6-29.5-173.265.80000113.9
58G54Low59.7Low37 Ų37109.3 Ų109.338%0.38165%0.651SS.*Hα-helixtrans-77.4-20.7-178.500000114.6A60 L61 T62G58-A60 PolarHBondContact O-N 3.45Å; G58-L61 PolarHBondContact O-N 3.23Å; G58-T62 PolarHBondContact O-N 3.25Å; G58-T62 PolarHBondContact O-OG1 2.98Å; G58-T62 VanDerWaalsContact O-OG1 3.12Å
59K57.4Low61.9Low139 Ų139107.2 Ų107.260%0.60463%0.626SS**Hα-helixtrans-69.9-30-173-73.9172.1-177.61690113.5D55 S63D55-K59 VanDerWaalsContact O-CD 3.24Å; D55-K59 WeakPolarHBondContact O-CD 3.38Å; D55-K59 WeakPolarHBondContact O-CE 3.01Å; D55-K59 WeakPolarHBondContact O-CG 3.5Å; K59-S63 PolarHBondContact O-N 3.31Å
60A61.5Low63.5Low77 Ų77106.2 Ų106.264%0.63661%0.611SS**Hα-helixtrans-70.3-40.9179.300000112.1G58 S63G58-A60 PolarHBondContact O-N 3.45Å; A60-S63 PolarHBondContact O-OG 3.07Å
61L57.9Low65.3Low149 Ų149104.5 Ų104.578%0.7860%0.6SS**Hα-helixtrans-73-27.8-178.9-83.6163.3000113.2G58G58-L61 PolarHBondContact O-N 3.23Å
62T63Low66.8Low72 Ų72105.4 Ų105.444%0.44259%0.592SS.*Hα-helixtrans-93.7-4.3-177.5570000114.2G58 F64 L65G58-T62 PolarHBondContact O-N 3.25Å; G58-T62 PolarHBondContact O-OG1 2.98Å; G58-T62 VanDerWaalsContact O-OG1 3.12Å; T62-F64 PolarHBondContact O-N 3.08Å; T62-F64 VanDerWaalsContact O-N 3.11Å; T62-L65 PolarHBondContact O-N 3.35Å
63S69.8Low68.3Low82 Ų82100 Ų10057%0.57357%0.569SS**THydrogen-bonded Turntrans-59-25-17560.30000115.4K59 A60K59-S63 PolarHBondContact O-N 3.31Å; A60-S63 PolarHBondContact O-OG 3.07Å
64F79.1Confident69.5Low191 Ų191100.6 Ų100.684%0.83857%0.569SS**THydrogen-bonded Turntrans-88.6-13.8177.2-66.6-78.2000114.1T62T62-F64 PolarHBondContact O-N 3.08Å; T62-F64 VanDerWaalsContact O-N 3.11Å
65L78.5Confident71Confident74 Ų7497.8 Ų97.839%0.38757%0.566SS.*  trans-87.7125.5-176.3-65173.7000109.6T62 D69 V70 L73T62-L65 PolarHBondContact O-N 3.35Å; L65-D69 HydrophobicContact CB-CB 4.25Å; L65-D69 HydrophobicContact CD2-CB 3.99Å; L65-V70 HydrophobicContact CB-CG2 3.93Å; L65-V70 HydrophobicContact CD1-CG2 4.47Å; L65-L73 HydrophobicContact CD1-CD1 4.06Å; L65-L73 HydrophobicContact CD2-CD1 4.2Å
66T84.3Confident72.2Confident77 Ų77100.4 Ų100.447%0.47257%0.572SS.*  trans-68.9159.7169.768.70000110A68 D69 V70T66-A68 PolarHBondContact O-N 3.02Å; T66-A68 VanDerWaalsContact O-N 3.13Å; T66-D69 WeakPolarHBondContact CB-OD2 3.41Å; T66-D69 PolarHBondContact N-OD2 2.63Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.25Å; T66-D69 PolarHBondContact OG1-N 3.41Å; T66-D69 PolarHBondContact OG1-OD2 3.29Å; T66-V70 PolarHBondContact O-N 2.92Å
67S82.3Confident72.7Confident95 Ų95101.1 Ų101.166%0.66457%0.567SS**Hα-helixtrans-57.8-28.117563.40000112.6K71S67-K71 WeakPolarHBondContact O-CG 3.01Å; S67-K71 PolarHBondContact O-N 3.35Å
68A84.9Confident73.2Confident48 Ų48102.9 Ų102.940%0.39758%0.576SS.*Hα-helixtrans-70.8-38.317300000112.3T66 K71 R72T66-A68 PolarHBondContact O-N 3.02Å; T66-A68 VanDerWaalsContact O-N 3.13Å; A68-K71 PolarHBondContact O-N 3.5Å; A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.43Å
69D84.7Confident73.4Confident55 Ų55105.6 Ų105.629%0.29459%0.588SS.*Hα-helixtrans-66.9-43.1177.2-59.8-43.8000111.3L65 T66 K71 R72 L73L65-D69 HydrophobicContact CB-CB 4.25Å; L65-D69 HydrophobicContact CD2-CB 3.99Å; T66-D69 WeakPolarHBondContact CB-OD2 3.41Å; T66-D69 PolarHBondContact N-OD2 2.63Å; T66-D69 WeakPolarHBondContact O-CB 3.18Å; T66-D69 PolarHBondContact O-N 3.25Å; T66-D69 PolarHBondContact OG1-N 3.41Å; T66-D69 PolarHBondContact OG1-OD2 3.29Å; D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 2.9Å; D69-R72 PolarHBondContact O-N 2.86Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.32Å; D69-L73 PolarHBondContact O-N 3.41Å
70V80Confident73.8Confident71 Ų71104.8 Ų104.843%0.4360%0.598SS.*Hα-helixtrans-59.4-43.2174.8-179.90000110.6L65 T66 L73 S74L65-V70 HydrophobicContact CB-CG2 3.93Å; L65-V70 HydrophobicContact CD1-CG2 4.47Å; T66-V70 PolarHBondContact O-N 2.92Å; V70-L73 PolarHBondContact O-N 2.95Å; V70-S74 WeakPolarHBondContact O-CB 3.33Å; V70-S74 PolarHBondContact O-N 2.95Å; V70-S74 PolarHBondContact O-OG 2.87Å
71K81.4Confident74Confident150 Ų150106.4 Ų106.465%0.65260%0.595SS**Hα-helixtrans-65.2-40.5175.5-77.2179-179-178.90113.2S67 A68 D69 S74 A75S67-K71 WeakPolarHBondContact O-CG 3.01Å; S67-K71 PolarHBondContact O-N 3.35Å; A68-K71 PolarHBondContact O-N 3.5Å; D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 2.9Å; K71-S74 WeakPolarHBondContact CA-OG 3.39Å; K71-S74 PolarHBondContact O-OG 3.36Å; K71-A75 WeakPolarHBondContact O-CB 3.35Å; K71-A75 PolarHBondContact O-N 3.18Å
72R82.6Confident74.9Confident177 Ų177101.5 Ų101.567%0.66857%0.573SS**Hα-helixtrans-66.9-38.5177.1-77.3175.4173.9-172.6-1.3111.8A68 D69 K76A68-R72 WeakPolarHBondContact O-CB 3.43Å; A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.43Å; D69-R72 PolarHBondContact O-N 2.86Å; R72-K76 WeakPolarHBondContact O-CG 3.3Å; R72-K76 PolarHBondContact O-N 3.44Å
73L74.8Confident75.6Confident90 Ų90107.2 Ų107.247%0.47159%0.586SS.*Hα-helixtrans-69.6-43.7176.7-74.1167.7000111.1L65 D69 V70 A75 K76 L77L65-L73 HydrophobicContact CD1-CD1 4.06Å; L65-L73 HydrophobicContact CD2-CD1 4.2Å; D69-L73 WeakPolarHBondContact O-CB 3.5Å; D69-L73 VanDerWaalsContact O-CG 3.3Å; D69-L73 WeakPolarHBondContact O-CG 3.32Å; D69-L73 PolarHBondContact O-N 3.41Å; V70-L73 PolarHBondContact O-N 2.95Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.22Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-L77 PolarHBondContact O-N 3.03Å
74S72.4Confident76Confident73 Ų73106.6 Ų106.651%0.5158%0.582SS.*Hα-helixtrans-64.3-33.8177.867.30000112.5V70 K71 K76V70-S74 WeakPolarHBondContact O-CB 3.33Å; V70-S74 PolarHBondContact O-N 2.95Å; V70-S74 PolarHBondContact O-OG 2.87Å; K71-S74 WeakPolarHBondContact CA-OG 3.39Å; K71-S74 PolarHBondContact O-OG 3.36Å; S74-K76 VanDerWaalsContact C-N 3.32Å; S74-K76 PolarHBondContact O-N 3.22Å
75A76.9Confident76Confident85 Ų85104.1 Ų104.170%0.70257%0.571SS**Hα-helixtrans-71.5-20.9176.400000114.5K71 L73K71-A75 WeakPolarHBondContact O-CB 3.35Å; K71-A75 PolarHBondContact O-N 3.18Å; L73-A75 VanDerWaalsContact C-N 3.28Å; L73-A75 PolarHBondContact O-N 3.22Å
76K77.4Confident76Confident174 Ų174104.3 Ų104.376%0.75757%0.572SS**Hα-helixtrans-89.2-14.9179-76.8178.4178.3-178.80113.6R72 L73 S74R72-K76 WeakPolarHBondContact O-CG 3.3Å; R72-K76 PolarHBondContact O-N 3.44Å; L73-K76 PolarHBondContact O-N 2.9Å; S74-K76 VanDerWaalsContact C-N 3.32Å; S74-K76 PolarHBondContact O-N 3.22Å
77L67.1Low75.7Confident113 Ų113103.4 Ų103.459%0.59257%0.572SS**SBendtrans-83.7129.3177.2-66.3176.8000109L73 C79L73-L77 PolarHBondContact O-N 3.03Å; L77-C79 PolarHBondContact O-N 2.89Å
78P68.1Low75.6Confident131 Ų131103.4 Ų103.485%0.85156%0.564SS**SBendtrans-54.5-15.7-174-28.834000116.3
79C57.8Low75.4Confident94 Ų94103.3 Ų103.364%0.63556%0.563SS**SBendtrans-171.8156161.8-90.50000106.3L77 L81L77-C79 PolarHBondContact O-N 2.89Å; C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 3.41Å
80P65.3Low75.2Confident123 Ų123104.3 Ų104.380%0.79957%0.568SS**  trans-63.798162.627.4-31000107.7S82P80-S82 PolarHBondContact O-N 3.36Å
81L66Low75.2Confident111 Ų111105.1 Ų105.158%0.58158%0.576SS**  trans-64.1109.3174.2-167.871.5000106.9C79 K85 L86C79-L81 VanDerWaalsContact C-N 3.31Å; C79-L81 PolarHBondContact O-N 3.41Å; L81-K85 HydrophobicContact CD1-CB 4.18Å; L81-L86 HydrophobicContact CD2-CB 3.83Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CG 4.27Å; L81-L86 HydrophobicContact CG-CB 4.22Å
82S77.4Confident75.4Confident45 Ų45103.8 Ų103.832%0.31558%0.576SS.*  trans-60.6143.3180670000109.3P80 S84 K85 L86P80-S82 PolarHBondContact O-N 3.36Å; S82-S84 PolarHBondContact O-N 3.19Å; S82-S84 VanDerWaalsContact O-N 3.11Å; S82-S84 PolarHBondContact OG-OG 3.26Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-K85 WeakPolarHBondContact OG-CB 3.38Å; S82-K85 VanDerWaalsContact OG-CG 3.25Å; S82-K85 WeakPolarHBondContact OG-CG 3.34Å; S82-K85 PolarHBondContact OG-N 3.08Å; S82-L86 PolarHBondContact O-N 3.19Å
83R77.2Confident75.4Confident192 Ų19298.2 Ų98.273%0.72556%0.559SS**Hα-helixtrans-51.2-37.9177.8-74.8-175.5177.9169.10.8111.6L86 A87R83-L86 PolarHBondContact O-N 3.43Å; R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 2.9Å
84S77.6Confident76Confident69 Ų6998.6 Ų98.648%0.48356%0.559SS.*Hα-helixtrans-62.5-47.917552.40000113.2S82 L86 A87 I88S82-S84 PolarHBondContact O-N 3.19Å; S82-S84 VanDerWaalsContact O-N 3.11Å; S82-S84 PolarHBondContact OG-OG 3.26Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.91Å; S84-A87 PolarHBondContact O-N 3.48Å; S84-I88 WeakPolarHBondContact O-CD1 3.41Å; S84-I88 VanDerWaalsContact O-CG1 3.26Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 3.32Å
85K80.2Confident76.7Confident139 Ų13999.4 Ų99.460%0.60456%0.562SS**Hα-helixtrans-63.6-38.6177.2-77178.4-177.9-176.70111.6L81 S82 A89L81-K85 HydrophobicContact CD1-CB 4.18Å; S82-K85 PolarHBondContact O-N 3.47Å; S82-K85 WeakPolarHBondContact OG-CB 3.38Å; S82-K85 VanDerWaalsContact OG-CG 3.25Å; S82-K85 WeakPolarHBondContact OG-CG 3.34Å; S82-K85 PolarHBondContact OG-N 3.08Å; K85-A89 VanDerWaalsContact O-CB 3.3Å; K85-A89 WeakPolarHBondContact O-CB 3.41Å; K85-A89 PolarHBondContact O-N 2.96Å
86L78Confident77.3Confident79 Ų79100.1 Ų100.141%0.41455%0.554SS.*Hα-helixtrans-65.1-44.2174.5179.761.4000111.3L81 S82 R83 S84 I88 A89 I90L81-L86 HydrophobicContact CD2-CB 3.83Å; L81-L86 HydrophobicContact CD2-CD1 3.75Å; L81-L86 HydrophobicContact CD2-CG 4.27Å; L81-L86 HydrophobicContact CG-CB 4.22Å; S82-L86 PolarHBondContact O-N 3.19Å; R83-L86 PolarHBondContact O-N 3.43Å; S84-L86 VanDerWaalsContact C-N 3.31Å; S84-L86 PolarHBondContact O-N 2.91Å; L86-I88 PolarHBondContact O-N 3.48Å; L86-A89 PolarHBondContact O-N 3.41Å; L86-I90 HydrophobicContact CD1-CD1 3.88Å; L86-I90 HydrophobicContact CD1-CG1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 HydrophobicContact CG-CG1 4.41Å; L86-I90 WeakPolarHBondContact O-CB 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.41Å
87A77Confident77.8Confident57 Ų5798 Ų9847%0.47155%0.545SS..Hα-helixtrans-61.5-43.9178.300000111.9R83 S84 I90 S91R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 2.9Å; S84-A87 PolarHBondContact O-N 3.48Å; A87-I90 PolarHBondContact O-N 3.26Å; A87-S91 PolarHBondContact O-N 2.85Å; A87-S91 PolarHBondContact O-OG 2.93Å
88I81Confident78.7Confident96 Ų9694.4 Ų94.449%0.49253%0.525SS..Hα-helixtrans-61.9-48.7174.9-65.1162.4000110.3S84 L86 I90 S91 D92S84-I88 WeakPolarHBondContact O-CD1 3.41Å; S84-I88 VanDerWaalsContact O-CG1 3.26Å; S84-I88 WeakPolarHBondContact O-CG1 3.46Å; S84-I88 PolarHBondContact O-N 3.32Å; L86-I88 PolarHBondContact O-N 3.48Å; I88-I90 VanDerWaalsContact C-N 3.25Å; I88-I90 PolarHBondContact O-N 3.43Å; I88-S91 WeakPolarHBondContact CA-OG 3.37Å; I88-S91 PolarHBondContact O-N 3.09Å; I88-S91 PolarHBondContact O-OG 3.42Å; I88-D92 WeakPolarHBondContact O-CB 3.43Å; I88-D92 PolarHBondContact O-N 3.17Å
89A81.1Confident79.7Confident45 Ų4590.9 Ų90.937%0.37251%0.508SS..Hα-helixtrans-58.7-39.1177.800000111.9K85 L86 D92 L93K85-A89 VanDerWaalsContact O-CB 3.3Å; K85-A89 WeakPolarHBondContact O-CB 3.41Å; K85-A89 PolarHBondContact O-N 2.96Å; L86-A89 PolarHBondContact O-N 3.41Å; A89-D92 PolarHBondContact O-N 2.95Å; A89-L93 WeakPolarHBondContact O-CD1 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å
90I80.6Confident81.3Confident77 Ų7791.6 Ų91.640%0.39550%0.504SS..Hα-helixtrans-68.2-38.8176-69.5169000111.5L86 A87 I88 D92 L93 M98L86-I90 HydrophobicContact CD1-CD1 3.88Å; L86-I90 HydrophobicContact CD1-CG1 4.13Å; L86-I90 HydrophobicContact CD2-CD1 4.46Å; L86-I90 HydrophobicContact CG-CD1 3.78Å; L86-I90 HydrophobicContact CG-CG1 4.41Å; L86-I90 WeakPolarHBondContact O-CB 3.42Å; L86-I90 WeakPolarHBondContact O-CG1 3.49Å; L86-I90 PolarHBondContact O-N 3.41Å; A87-I90 PolarHBondContact O-N 3.26Å; I88-I90 VanDerWaalsContact C-N 3.25Å; I88-I90 PolarHBondContact O-N 3.43Å; I90-D92 VanDerWaalsContact C-N 3.3Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 3.03Å; I90-M98 HydrophobicContact CG2-CE 3.94Å; I90-M98 HydrophobicContact CG2-SD 3.66Å
91S80.4Confident82.4Confident87 Ų8790.5 Ų90.561%0.60849%0.487SS*.Hα-helixtrans-69.6-28.9176.457.40000113.1A87 I88 L93A87-S91 PolarHBondContact O-N 2.85Å; A87-S91 PolarHBondContact O-OG 2.93Å; I88-S91 WeakPolarHBondContact CA-OG 3.37Å; I88-S91 PolarHBondContact O-N 3.09Å; I88-S91 PolarHBondContact O-OG 3.42Å; S91-L93 PolarHBondContact O-N 2.93Å
92D85.2Confident83.6Confident123 Ų12393.9 Ų93.966%0.65849%0.492SS*.THydrogen-bonded Turntrans-78.5-10177.7-64.1-14.3000112.6I88 A89 I90I88-D92 WeakPolarHBondContact O-CB 3.43Å; I88-D92 PolarHBondContact O-N 3.17Å; A89-D92 PolarHBondContact O-N 2.95Å; I90-D92 VanDerWaalsContact C-N 3.3Å
93L82.9Confident84.3Confident59 Ų5993.7 Ų93.731%0.30949%0.486SS..SBendtrans-70.3136.7176.5-10474.6000111A89 I90 S91 K97 M98 F101A89-L93 WeakPolarHBondContact O-CD1 3.45Å; A89-L93 PolarHBondContact O-N 3.37Å; I90-L93 WeakPolarHBondContact O-CB 3.36Å; I90-L93 PolarHBondContact O-N 3.03Å; S91-L93 PolarHBondContact O-N 2.93Å; L93-K97 HydrophobicContact CD2-CB 4.13Å; L93-K97 HydrophobicContact CD2-CD 4.48Å; L93-K97 HydrophobicContact CG-CD 4.44Å; L93-M98 HydrophobicContact CB-CE 3.58Å; L93-M98 HydrophobicContact CB-CG 4.21Å; L93-M98 HydrophobicContact CD2-CE 3.3Å; L93-M98 HydrophobicContact CG-CE 4.03Å; L93-F101 HydrophobicContact CD2-CD2 3.98Å; L93-F101 HydrophobicContact CD2-CE2 3.43Å; L93-F101 VanDerWaalsContact CD2-CE2 3.43Å; L93-F101 HydrophobicContact CD2-CZ 4.45Å
94H85.7Confident85.2Confident99 Ų9989.4 Ų89.446%0.45848%0.477SS..  trans-50.9138.6174.8-165.5-91.7000111.2D96 K97 M98H94-D96 VanDerWaalsContact CE1-CG 3.4Å; H94-D96 IonicContact CE1-OD1 3.67Å; H94-D96 IonicContact CE1-OD2 3.27Å; H94-D96 PolarHBondContact CE1-OD2 3.05Å; H94-D96 WeakPolarHBondContact ND1-CB 3.37Å; H94-D96 VanDerWaalsContact ND1-CG 3.31Å; H94-D96 PolarHBondContact ND1-N 2.94Å; H94-D96 IonicContact ND1-OD1 3.69Å; H94-D96 IonicContact ND1-OD2 2.8Å; H94-D96 PolarHBondContact ND1-OD2 3.23Å; H94-D96 PolarHBondContact O-N 2.63Å; H94-D96 VanDerWaalsContact O-N 3.1Å; H94-K97 HydrophobicContact CB-CD 4.49Å; H94-K97 HydrophobicContact CB-CG 4.37Å; H94-K97 WeakPolarHBondContact O-CB 3.49Å; H94-K97 PolarHBondContact O-N 2.93Å; H94-M98 PolarHBondContact O-N 3.06Å; H94-M98 VanDerWaalsContact O-N 3.13Å
95P88.9Confident85.9Confident89 Ų8991.8 Ų91.858%0.57848%0.484SS*.Hα-helixtrans-53.4-35.7-177.519.3-33.6000113.2K97 M98 A99P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 3.13Å; P95-M98 WeakPolarHBondContact O-CB 3.36Å; P95-M98 PolarHBondContact O-N 2.71Å; P95-A99 PolarHBondContact O-N 2.98Å
96D88.3Confident86.7Confident101 Ų10188.7 Ų88.754%0.5448%0.48SS..Hα-helixtrans-63.4-38.7176.7-57.2-11.7000112.8H94 M98 A99 L100H94-D96 VanDerWaalsContact CE1-CG 3.4Å; H94-D96 IonicContact CE1-OD1 3.67Å; H94-D96 IonicContact CE1-OD2 3.27Å; H94-D96 PolarHBondContact CE1-OD2 3.05Å; H94-D96 WeakPolarHBondContact ND1-CB 3.37Å; H94-D96 VanDerWaalsContact ND1-CG 3.31Å; H94-D96 PolarHBondContact ND1-N 2.94Å; H94-D96 IonicContact ND1-OD1 3.69Å; H94-D96 IonicContact ND1-OD2 2.8Å; H94-D96 PolarHBondContact ND1-OD2 3.23Å; H94-D96 PolarHBondContact O-N 2.63Å; H94-D96 VanDerWaalsContact O-N 3.1Å; D96-M98 VanDerWaalsContact C-N 3.35Å; D96-A99 PolarHBondContact O-N 3.42Å; D96-L100 PolarHBondContact O-N 3.08Å; D96-L100 VanDerWaalsContact O-N 3.07Å
97K88.3Confident87.5Confident128 Ų12890.7 Ų90.756%0.55748%0.482SS*.Hα-helixtrans-67.2-41.3175.4-66.3-177.8179.8177.20110L93 H94 P95 A99 L100 F101L93-K97 HydrophobicContact CD2-CB 4.13Å; L93-K97 HydrophobicContact CD2-CD 4.48Å; L93-K97 HydrophobicContact CG-CD 4.44Å; H94-K97 HydrophobicContact CB-CD 4.49Å; H94-K97 HydrophobicContact CB-CG 4.37Å; H94-K97 WeakPolarHBondContact O-CB 3.49Å; H94-K97 PolarHBondContact O-N 2.93Å; P95-K97 VanDerWaalsContact C-N 3.35Å; P95-K97 PolarHBondContact O-N 3.13Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.35Å; K97-L100 PolarHBondContact O-N 3.44Å; K97-F101 HydrophobicContact CB-CE2 4.3Å; K97-F101 WeakPolarHBondContact O-CD2 3.44Å; K97-F101 PolarHBondContact O-N 3.29Å
98M86.4Confident88.4Confident38 Ų3892 Ų9219%0.18748%0.48CS..Hα-helixtrans-60.9-40.5175.1-77.9-64.410500112.4I90 L93 H94 P95 D96 F101 R102I90-M98 HydrophobicContact CG2-CE 3.94Å; I90-M98 HydrophobicContact CG2-SD 3.66Å; L93-M98 HydrophobicContact CB-CE 3.58Å; L93-M98 HydrophobicContact CB-CG 4.21Å; L93-M98 HydrophobicContact CD2-CE 3.3Å; L93-M98 HydrophobicContact CG-CE 4.03Å; H94-M98 PolarHBondContact O-N 3.06Å; H94-M98 VanDerWaalsContact O-N 3.13Å; P95-M98 WeakPolarHBondContact O-CB 3.36Å; P95-M98 PolarHBondContact O-N 2.71Å; D96-M98 VanDerWaalsContact C-N 3.35Å; M98-F101 HydrophobicContact CE-CD2 3.66Å; M98-F101 HydrophobicContact CE-CE2 4.3Å; M98-F101 PolarHBondContact O-N 2.97Å; M98-R102 WeakPolarHBondContact O-CG 3.09Å; M98-R102 PolarHBondContact O-N 3.19Å
99A89.4Confident89.1Confident58 Ų5890.2 Ų90.248%0.47948%0.477SS..Hα-helixtrans-61-47.3174.400000111.4P95 D96 K97 F101 R102 E103P95-A99 PolarHBondContact O-N 2.98Å; D96-A99 PolarHBondContact O-N 3.42Å; K97-A99 VanDerWaalsContact C-N 3.33Å; K97-A99 PolarHBondContact O-N 3.35Å; A99-F101 PolarHBondContact O-N 3.45Å; A99-R102 PolarHBondContact O-N 2.98Å; A99-E103 WeakPolarHBondContact O-CB 3.32Å; A99-E103 PolarHBondContact O-N 3.38Å
100L90.5Very high89.8Confident108 Ų10891.1 Ų91.157%0.56548%0.477SS*.Hα-helixtrans-60.3-41.8177-175.867000112.5D96 K97 E103 L104D96-L100 PolarHBondContact O-N 3.08Å; D96-L100 VanDerWaalsContact O-N 3.07Å; K97-L100 PolarHBondContact O-N 3.44Å; L100-E103 PolarHBondContact O-N 3.45Å; L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 2.84Å
101F88.9Confident90.6Very high100 Ų10093.4 Ų93.444%0.43949%0.486SS..Hα-helixtrans-65.7-39.5176.8-75.3-58.8000112.6L93 K97 M98 A99 L104 L105L93-F101 HydrophobicContact CD2-CD2 3.98Å; L93-F101 HydrophobicContact CD2-CE2 3.43Å; L93-F101 VanDerWaalsContact CD2-CE2 3.43Å; L93-F101 HydrophobicContact CD2-CZ 4.45Å; K97-F101 HydrophobicContact CB-CE2 4.3Å; K97-F101 WeakPolarHBondContact O-CD2 3.44Å; K97-F101 PolarHBondContact O-N 3.29Å; M98-F101 HydrophobicContact CE-CD2 3.66Å; M98-F101 HydrophobicContact CE-CE2 4.3Å; M98-F101 PolarHBondContact O-N 2.97Å; A99-F101 PolarHBondContact O-N 3.45Å; F101-L104 PolarHBondContact O-N 3.48Å; F101-L105 WeakPolarHBondContact O-CG 3.14Å; F101-L105 PolarHBondContact O-N 3.39Å
102R90.6Very high91.3Very high183 Ų18392.2 Ų92.269%0.69147%0.473SS*.Hα-helixtrans-64-42.9175.5-72.2175.8-171.4-81.1-0.4111.6M98 A99 L105 S106M98-R102 WeakPolarHBondContact O-CG 3.09Å; M98-R102 PolarHBondContact O-N 3.19Å; A99-R102 PolarHBondContact O-N 2.98Å; R102-L105 PolarHBondContact O-N 2.87Å; R102-S106 PolarHBondContact O-N 3.49Å
103E93.2Very high91.9Very high40 Ų4091.8 Ų91.819%0.18747%0.467CS..Hα-helixtrans-60.6-46.3174.7-172.2-168.6170.400111.2F27 A99 L100 L105 S106 R107F27-E103 WeakPolarHBondContact CD1-OE1 3.36Å; F27-E103 HydrophobicContact CE1-CG 4.42Å; F27-E103 WeakPolarHBondContact CE1-OE1 3.26Å; A99-E103 WeakPolarHBondContact O-CB 3.32Å; A99-E103 PolarHBondContact O-N 3.38Å; L100-E103 PolarHBondContact O-N 3.45Å; E103-L105 PolarHBondContact O-N 3.26Å; E103-S106 WeakPolarHBondContact O-CB 3.43Å; E103-S106 PolarHBondContact O-N 3.42Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.47Å; E103-R107 IonicContact OE1-CZ 3.25Å; E103-R107 VanDerWaalsContact OE1-CZ 3.29Å; E103-R107 IonicContact OE1-NE 3.76Å; E103-R107 PolarHBondContact OE1-NE 3.42Å; E103-R107 IonicContact OE1-NH2 3.04Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å
104L95.1Very high92.6Very high102 Ų10294.2 Ų94.253%0.53448%0.48SS..Hα-helixtrans-60.1-43.5176.9-177.962.1000112.2L100 F101 S106 R107 L108L100-L104 WeakPolarHBondContact O-CB 3.33Å; L100-L104 PolarHBondContact O-N 2.84Å; F101-L104 PolarHBondContact O-N 3.48Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; L104-R107 PolarHBondContact O-N 3.13Å; L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å
105L93Very high93.1Very high119 Ų11997.4 Ų97.462%0.62349%0.488SS*.Hα-helixtrans-62.2-41.3175.3-73.6171.7000111.8F101 R102 E103 L108 S109F101-L105 WeakPolarHBondContact O-CG 3.14Å; F101-L105 PolarHBondContact O-N 3.39Å; R102-L105 PolarHBondContact O-N 2.87Å; E103-L105 PolarHBondContact O-N 3.26Å; L105-L108 PolarHBondContact O-N 3.33Å; L105-S109 PolarHBondContact O-N 3.05Å
106S95.7Very high93.4Very high74 Ų7497.3 Ų97.352%0.51748%0.482SS..Hα-helixtrans-62.4-47.1175.1-179.30000111.5R102 E103 L104 L108 S109 V110R102-S106 PolarHBondContact O-N 3.49Å; E103-S106 WeakPolarHBondContact O-CB 3.43Å; E103-S106 PolarHBondContact O-N 3.42Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.03Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; S106-S109 WeakPolarHBondContact O-CB 3.24Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 VanDerWaalsContact O-N 3.17Å; S106-V110 WeakPolarHBondContact O-CG2 3.39Å; S106-V110 PolarHBondContact O-N 3.12Å; S106-V110 VanDerWaalsContact O-N 3.09Å
107R96.2Very high93.7Very high122 Ų12296 Ų9646%0.4648%0.477SS..Hα-helixtrans-58.9-43.9175.8-70.4-179.7-173.5-168.54.3111.9F27 E103 L104 S109 V110 E111F27-R107 VanDerWaalsContact CE1-CZ 3.46Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.47Å; E103-R107 IonicContact OE1-CZ 3.25Å; E103-R107 VanDerWaalsContact OE1-CZ 3.29Å; E103-R107 IonicContact OE1-NE 3.76Å; E103-R107 PolarHBondContact OE1-NE 3.42Å; E103-R107 IonicContact OE1-NH2 3.04Å; E103-R107 PolarHBondContact OE1-NH2 3.47Å; L104-R107 PolarHBondContact O-N 3.13Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.08Å; R107-V110 PolarHBondContact O-N 2.98Å; R107-E111 WeakPolarHBondContact O-CB 3.4Å; R107-E111 PolarHBondContact O-N 3.11Å
108L95.5Very high94.1Very high84 Ų8492.6 Ų92.644%0.4447%0.473SS..Hα-helixtrans-63.7-36178.1-173.465.9000112.2L104 L105 S106 N112L104-L108 WeakPolarHBondContact O-CB 3.49Å; L104-L108 PolarHBondContact O-N 3.21Å; L105-L108 PolarHBondContact O-N 3.33Å; S106-L108 VanDerWaalsContact C-N 3.34Å; S106-L108 PolarHBondContact O-N 2.93Å; L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.37Å; L108-N112 PolarHBondContact O-ND2 3.45Å
109S94.7Very high94.6Very high59 Ų5994.8 Ų94.841%0.41348%0.483SS..Hα-helixtrans-61.4-50.9172.9-165.80000111.1L105 S106 R107 E111 N112 E113L105-S109 PolarHBondContact O-N 3.05Å; S106-S109 WeakPolarHBondContact O-CB 3.24Å; S106-S109 PolarHBondContact O-N 3.44Å; S106-S109 VanDerWaalsContact O-N 3.17Å; R107-S109 VanDerWaalsContact C-N 3.31Å; R107-S109 PolarHBondContact O-N 3.08Å; S109-E111 PolarHBondContact O-N 2.8Å; S109-N112 WeakPolarHBondContact O-CB 3.18Å; S109-N112 PolarHBondContact O-N 3.49Å; S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.43Å; S109-E113 PolarHBondContact OG-OE1 3.13Å
110V97.1Very high94.8Very high64 Ų6498.4 Ų98.439%0.38849%0.488SS..Hα-helixtrans-62.3-43-179.9175.60000111.3S106 R107 N112 E113 L114S106-V110 WeakPolarHBondContact O-CG2 3.39Å; S106-V110 PolarHBondContact O-N 3.12Å; S106-V110 VanDerWaalsContact O-N 3.09Å; R107-V110 PolarHBondContact O-N 2.98Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.86Å; V110-E113 PolarHBondContact O-N 3.28Å; V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.32Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 3.39Å
111E96.9Very high95.1Very high125 Ų12597.3 Ų97.358%0.58448%0.481SS*.Hα-helixtrans-58.7-44.5175.8-175.4-173.9174.400111.7R107 S109 E113 L114 R115R107-E111 WeakPolarHBondContact O-CB 3.4Å; R107-E111 PolarHBondContact O-N 3.11Å; S109-E111 PolarHBondContact O-N 2.8Å; E111-E113 PolarHBondContact O-N 2.93Å; E111-L114 PolarHBondContact O-N 3.5Å; E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.43Å
112N95.8Very high95.4Very high62 Ų6298.3 Ų98.333%0.33248%0.483SS..Hα-helixtrans-62.4-42.3177.6-81.2-47.9000112.1L108 S109 V110 R115 I116L108-N112 WeakPolarHBondContact O-CB 3.48Å; L108-N112 PolarHBondContact O-N 3.37Å; L108-N112 PolarHBondContact O-ND2 3.45Å; S109-N112 WeakPolarHBondContact O-CB 3.18Å; S109-N112 PolarHBondContact O-N 3.49Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 2.86Å; N112-R115 PolarHBondContact O-N 2.99Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 3.19Å; N112-I116 VanDerWaalsContact O-N 3.13Å
113E96.7Very high95.5Very high114 Ų11492.2 Ų92.253%0.53346%0.462SS..Hα-helixtrans-63.2-48.5175.5-71.3171-155.700111.5S109 V110 E111 R115 I116 V117S109-E113 WeakPolarHBondContact O-CG 3.41Å; S109-E113 PolarHBondContact O-N 3.43Å; S109-E113 PolarHBondContact OG-OE1 3.13Å; V110-E113 PolarHBondContact O-N 3.28Å; E111-E113 PolarHBondContact O-N 2.93Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.25Å; E113-I116 WeakPolarHBondContact O-CB 3.33Å; E113-I116 PolarHBondContact O-N 3.45Å; E113-I116 VanDerWaalsContact O-N 3.13Å; E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 2.94Å
114L97.5Very high95.5Very high110 Ų11096.9 Ų96.958%0.57648%0.482SS*.Hα-helixtrans-61-39.7177.6-72.3177.6000112V110 E111 I116 V117 A118V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.22Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.32Å; V110-L114 WeakPolarHBondContact O-CG 3.45Å; V110-L114 PolarHBondContact O-N 3.39Å; E111-L114 PolarHBondContact O-N 3.5Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.8Å; L114-V117 PolarHBondContact O-N 3.27Å; L114-A118 VanDerWaalsContact O-CB 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 2.93Å
115R96.6Very high95.6Very high166 Ų16697.6 Ų97.663%0.62648%0.481SS*.Hα-helixtrans-59.4-44174.5-175.4-176.668.5158.8-1.3111.3E111 N112 E113 A118 E119E111-R115 VanDerWaalsContact O-CB 3.3Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 PolarHBondContact O-N 3.43Å; N112-R115 PolarHBondContact O-N 2.99Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.25Å; R115-A118 PolarHBondContact O-N 3.48Å; R115-E119 WeakPolarHBondContact O-CB 3.48Å; R115-E119 PolarHBondContact O-N 3.34Å
116I94.4Very high95.5Very high86 Ų8694.4 Ų94.444%0.44146%0.464SS..Hα-helixtrans-64.3-43.9176.9-67.7164.7000110.6N112 E113 L114 E119 K120N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 3.19Å; N112-I116 VanDerWaalsContact O-N 3.13Å; E113-I116 WeakPolarHBondContact O-CB 3.33Å; E113-I116 PolarHBondContact O-N 3.45Å; E113-I116 VanDerWaalsContact O-N 3.13Å; L114-I116 VanDerWaalsContact C-N 3.33Å; L114-I116 PolarHBondContact O-N 2.8Å; I116-E119 PolarHBondContact O-N 3.49Å; I116-K120 HydrophobicContact CG2-CD 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.41Å; I116-K120 PolarHBondContact O-N 2.99Å
117V96.2Very high95.3Very high73 Ų7392.8 Ų92.844%0.44245%0.449SS..Hα-helixtrans-63.3-46177.9172.90000111.1E113 L114 E119 K120 I121E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 2.94Å; L114-V117 PolarHBondContact O-N 3.27Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.17Å; V117-K120 WeakPolarHBondContact O-CB 3.47Å; V117-K120 PolarHBondContact O-N 2.72Å; V117-I121 HydrophobicContact CG1-CD1 3.93Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.43Å
118A96.5Very high95.2Very high58 Ų5891.7 Ų91.748%0.47945%0.45SS..Hα-helixtrans-59.5-43.8177.400000111.5L114 R115 I121 R122L114-A118 VanDerWaalsContact O-CB 3.3Å; L114-A118 WeakPolarHBondContact O-CB 3.44Å; L114-A118 PolarHBondContact O-N 2.93Å; R115-A118 PolarHBondContact O-N 3.48Å; A118-I121 PolarHBondContact O-N 3.41Å; A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.46Å
119E95.4Very high95Very high84 Ų8491.9 Ų91.939%0.39345%0.448SS..Hα-helixtrans-64.7-40.4176.5-175.158.5-163.600111.8R115 I116 V117 I121 R122 M123R115-E119 WeakPolarHBondContact O-CB 3.48Å; R115-E119 PolarHBondContact O-N 3.34Å; I116-E119 PolarHBondContact O-N 3.49Å; V117-E119 VanDerWaalsContact C-N 3.33Å; V117-E119 PolarHBondContact O-N 3.17Å; E119-I121 PolarHBondContact O-N 3.37Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 IonicContact OE1-CZ 2.63Å; E119-R122 IonicContact OE1-NE 3.29Å; E119-R122 PolarHBondContact OE1-NE 3.32Å; E119-R122 IonicContact OE1-NH2 3.29Å; E119-R122 PolarHBondContact OE1-NH2 3.42Å; E119-R122 IonicContact OE2-CZ 3.42Å; E119-R122 IonicContact OE2-NE 3.83Å; E119-R122 PolarHBondContact OE2-NE 3.31Å; E119-R122 IonicContact OE2-NH2 2.72Å; E119-M123 WeakPolarHBondContact O-CB 3.32Å; E119-M123 VanDerWaalsContact O-CG 3.26Å; E119-M123 WeakPolarHBondContact O-CG 3.4Å; E119-M123 PolarHBondContact O-N 2.84Å
120K94.4Very high94.8Very high133 Ų13389.4 Ų89.458%0.57843%0.431SS*.Hα-helixtrans-60.1-44.2173.5-74.1172.8-180177.10111.8I116 V117 M123 K124I116-K120 HydrophobicContact CG2-CD 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.41Å; I116-K120 PolarHBondContact O-N 2.99Å; V117-K120 WeakPolarHBondContact O-CB 3.47Å; V117-K120 PolarHBondContact O-N 2.72Å; K120-M123 PolarHBondContact O-N 3.34Å; K120-K124 WeakPolarHBondContact O-CG 3.39Å; K120-K124 PolarHBondContact O-N 3.29Å
121I96.5Very high94.4Very high85 Ų8592.2 Ų92.244%0.43644%0.44SS..Hα-helixtrans-62.9-46.3176.6-67.8167.4000110.2V117 A118 E119 M123 K124 K125V117-I121 HydrophobicContact CG1-CD1 3.93Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 3.43Å; A118-I121 PolarHBondContact O-N 3.41Å; E119-I121 PolarHBondContact O-N 3.37Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å; I121-K124 PolarHBondContact O-N 2.65Å; I121-K125 HydrophobicContact CG2-CD 4.4Å; I121-K125 WeakPolarHBondContact O-CG 3.45Å; I121-K125 PolarHBondContact O-N 3.39Å
122R96.1Very high94Very high122 Ų12294.4 Ų94.446%0.4645%0.448SS..Hα-helixtrans-56.6-46.2177.2-168.9-173.778.985.74.6111.4A118 E119 K125 L126A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.46Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 2.84Å; E119-R122 IonicContact OE1-CZ 2.63Å; E119-R122 IonicContact OE1-NE 3.29Å; E119-R122 PolarHBondContact OE1-NE 3.32Å; E119-R122 IonicContact OE1-NH2 3.29Å; E119-R122 PolarHBondContact OE1-NH2 3.42Å; E119-R122 IonicContact OE2-CZ 3.42Å; E119-R122 IonicContact OE2-NE 3.83Å; E119-R122 PolarHBondContact OE2-NE 3.31Å; E119-R122 IonicContact OE2-NH2 2.72Å; R122-K125 PolarHBondContact O-N 2.99Å; R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 2.9Å
123M92.8Very high93.7Very high54 Ų5499 Ų9927%0.26646%0.464SS..Hα-helixtrans-66.1-38.6179.6-71-61.2-65.700112.8E119 K120 I121 L126 L127 W153E119-M123 WeakPolarHBondContact O-CB 3.32Å; E119-M123 VanDerWaalsContact O-CG 3.26Å; E119-M123 WeakPolarHBondContact O-CG 3.4Å; E119-M123 PolarHBondContact O-N 2.84Å; K120-M123 PolarHBondContact O-N 3.34Å; I121-M123 VanDerWaalsContact C-N 3.31Å; I121-M123 PolarHBondContact O-N 2.95Å; M123-L126 PolarHBondContact O-N 3.15Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 3.02Å; M123-W153 HydrophobicContact CE-CH2 3.62Å; M123-W153 HydrophobicContact CE-CZ3 4.14Å; M123-W153 HydrophobicContact SD-CH2 4.45Å
124K93.5Very high93.2Very high138 Ų13896.6 Ų96.660%0.647%0.47SS*.Hα-helixtrans-60.6-47.6172.7-73.9-179.5179.2-173.80111.6K120 I121 L126 L127 E128K120-K124 WeakPolarHBondContact O-CG 3.39Å; K120-K124 PolarHBondContact O-N 3.29Å; I121-K124 PolarHBondContact O-N 2.65Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.26Å; K124-L127 WeakPolarHBondContact O-CB 3.44Å; K124-L127 PolarHBondContact O-N 3.4Å; K124-L127 VanDerWaalsContact O-N 3.13Å; K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.46Å
125K95.2Very high92.6Very high118 Ų11893.4 Ų93.451%0.51346%0.455SS..Hα-helixtrans-58.4-43.9176.3-71-179177.4-177.70112.1I121 R122 L127 E128 E129I121-K125 HydrophobicContact CG2-CD 4.4Å; I121-K125 WeakPolarHBondContact O-CG 3.45Å; I121-K125 PolarHBondContact O-N 3.39Å; R122-K125 PolarHBondContact O-N 2.99Å; K125-L127 VanDerWaalsContact C-N 3.32Å; K125-L127 PolarHBondContact O-N 3.05Å; K125-E128 PolarHBondContact O-N 3.03Å; K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 VanDerWaalsContact O-CG 3.32Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.42Å
126L92.2Very high92.2Very high52 Ų5293.1 Ų93.127%0.27246%0.459SS..Hα-helixtrans-62.4-37.7176.8-74.5176000112.9R122 M123 K124 S130 W153R122-L126 WeakPolarHBondContact O-CG 3.33Å; R122-L126 PolarHBondContact O-N 2.9Å; M123-L126 PolarHBondContact O-N 3.15Å; M123-L126 HydrophobicContact SD-CD1 4.15Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3.26Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.05Å; L126-W153 HydrophobicContact CB-CZ2 4.1Å
127L92.1Very high92.1Very high39 Ų3990 Ų9020%0.20444%0.444CS..Hα-helixtrans-65.5-48.8174.9-71172.7000110.8M123 K124 K125 E129 S130 E131 P137 Y151 W153M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 3.02Å; K124-L127 WeakPolarHBondContact O-CB 3.44Å; K124-L127 PolarHBondContact O-N 3.4Å; K124-L127 VanDerWaalsContact O-N 3.13Å; K125-L127 VanDerWaalsContact C-N 3.32Å; K125-L127 PolarHBondContact O-N 3.05Å; L127-E129 PolarHBondContact O-N 3.36Å; L127-S130 WeakPolarHBondContact CA-OG 3.49Å; L127-S130 PolarHBondContact O-N 3.13Å; L127-S130 VanDerWaalsContact O-N 3.15Å; L127-S130 PolarHBondContact O-OG 3.39Å; L127-E131 WeakPolarHBondContact O-CG 3.47Å; L127-E131 PolarHBondContact O-N 3.4Å; L127-P137 HydrophobicContact CD2-CG 3.68Å; L127-Y151 HydrophobicContact CD1-CE2 4.27Å; L127-Y151 HydrophobicContact CD2-CD1 4.32Å; L127-Y151 HydrophobicContact CD2-CD2 4.46Å; L127-Y151 HydrophobicContact CD2-CE1 4.42Å; L127-Y151 HydrophobicContact CD2-CG 4.33Å; L127-W153 HydrophobicContact CD2-CZ2 4.32Å
128E92.9Very high91.9Very high100 Ų10093.4 Ų93.447%0.46745%0.453SS..Hα-helixtrans-59.6-43.6176.5-69.1169.7-158.800112.5K124 K125 S130 E131 K132K124-E128 WeakPolarHBondContact O-CG 3.5Å; K124-E128 PolarHBondContact O-N 3.46Å; K125-E128 PolarHBondContact O-N 3.03Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.37Å; E128-E131 PolarHBondContact O-N 3.43Å; E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3Å
129E92.2Very high91.8Very high88 Ų8896.7 Ų96.741%0.41145%0.453SS..Hα-helixtrans-63.9-38.3175.8-75.7176.5-158.300112.1K125 L127 E131 K132 K133K125-E129 WeakPolarHBondContact O-CB 3.26Å; K125-E129 VanDerWaalsContact O-CG 3.32Å; K125-E129 WeakPolarHBondContact O-CG 3.41Å; K125-E129 PolarHBondContact O-N 3.42Å; L127-E129 PolarHBondContact O-N 3.36Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E129-K132 PolarHBondContact O-N 3.48Å; E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.94Å
130S89Confident91.7Very high7 Ų796.6 Ų96.65%0.04946%0.458CS..Hα-helixtrans-68-36.817877.50000111.9L126 L127 E128 K133 G134 V135 P137L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.05Å; L127-S130 WeakPolarHBondContact CA-OG 3.49Å; L127-S130 PolarHBondContact O-N 3.13Å; L127-S130 VanDerWaalsContact O-N 3.15Å; L127-S130 PolarHBondContact O-OG 3.39Å; E128-S130 VanDerWaalsContact C-N 3.32Å; E128-S130 PolarHBondContact O-N 3.37Å; S130-K133 PolarHBondContact O-N 2.67Å; S130-G134 PolarHBondContact O-N 3.39Å; S130-V135 VanDerWaalsContact CB-O 3.29Å; S130-V135 WeakPolarHBondContact CB-O 3.37Å; S130-V135 CarbonylContact O-C 3.5Å; S130-V135 PolarHBondContact O-N 3.27Å; S130-P137 WeakPolarHBondContact OG-CD 3.21Å
131E88.5Confident91.7Very high123 Ų12395.2 Ų95.258%0.57545%0.452SS*.Hα-helixtrans-65.4-43.9173.4-72.8177179.400111.4L127 E128 E129 K133 G134L127-E131 WeakPolarHBondContact O-CG 3.47Å; L127-E131 PolarHBondContact O-N 3.4Å; E128-E131 PolarHBondContact O-N 3.43Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.33Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.1Å
132K90.5Very high91.6Very high171 Ų17199.5 Ų99.574%0.74347%0.467SS*.Hα-helixtrans-61.4-36.3175.5-71.4171.9-173.2174.50113E128 E129 G134E128-K132 WeakPolarHBondContact O-CG 3.29Å; E128-K132 PolarHBondContact O-N 3Å; E129-K132 PolarHBondContact O-N 3.48Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.4Å
133K88.3Confident91.4Very high158 Ų15894.6 Ų94.669%0.68746%0.455SS*.THydrogen-bonded Turntrans-80.4-3.8177.4-69.2172.7-176168.90113.5E129 S130 E131 V135E129-K133 WeakPolarHBondContact O-CG 3.39Å; E129-K133 PolarHBondContact O-N 2.94Å; S130-K133 PolarHBondContact O-N 2.67Å; E131-K133 VanDerWaalsContact C-N 3.31Å; E131-K133 PolarHBondContact O-N 3.33Å; K133-V135 PolarHBondContact O-N 3.22Å
134G86.4Confident91.4Very high63 Ų6396.6 Ų96.665%0.64947%0.466SS*.THydrogen-bonded Turntrans72.93.1-175.200000114.8S130 E131 K132 K136S130-G134 PolarHBondContact O-N 3.39Å; E131-G134 PolarHBondContact O-N 3Å; E131-G134 VanDerWaalsContact O-N 3.1Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.4Å; G134-K136 PolarHBondContact O-N 3.15Å
135V84.9Confident91.4Very high44 Ų4499.9 Ų99.927%0.26748%0.484SS..  trans-99.685.1-179-1750000109.3S130 K133S130-V135 VanDerWaalsContact CB-O 3.29Å; S130-V135 WeakPolarHBondContact CB-O 3.37Å; S130-V135 CarbonylContact O-C 3.5Å; S130-V135 PolarHBondContact O-N 3.27Å; K133-V135 PolarHBondContact O-N 3.22Å
136K87.2Confident91.2Very high160 Ų160102.8 Ų102.870%0.69650%0.499SS*.PPolyproline II helixtrans-73124.8177.8-67.5-177.2178.7-179.90110.9G134G134-K136 PolarHBondContact O-N 3.15Å
137P92.5Very high91.1Very high21 Ų21106.5 Ų106.514%0.13651%0.51CS..PPolyproline II helixtrans-67.4145.9177.427-33000111L127 S130 R139 Y151 M152 W153L127-P137 HydrophobicContact CD2-CG 3.68Å; S130-P137 WeakPolarHBondContact OG-CD 3.21Å; P137-R139 PolarHBondContact O-N 3.27Å; P137-Y151 HydrophobicContact CG-CD1 4.17Å; P137-M152 CarbonylContact C-O 3.6Å; P137-W153 HydrophobicContact CB-CD2 3.98Å; P137-W153 HydrophobicContact CB-CG 4.04Å; P137-W153 HydrophobicContact CB-CZ2 4.43Å; P137-W153 HydrophobicContact CG-CZ2 4.29Å
138K92.6Very high91Very high144 Ų144109.2 Ų109.263%0.62653%0.529SS*.EExtended strand (participates in β ladder)trans-76.4122.3175.3-172.7177.3-178.8179.90108.8V140 M152K138-V140 PolarHBondContact O-N 2.97Å; K138-M152 HydrophobicContact CD-CE 4.46Å; K138-M152 PolarHBondContact N-O 3.47Å; K138-M152 PolarHBondContact O-N 2.79Å
139R93.9Very high91Very high126 Ų126107 Ų10748%0.47552%0.523SS..EExtended strand (participates in β ladder)trans-72.4117171.9-176.5173.5169176.10.1109.5P137 Y151P137-R139 PolarHBondContact O-N 3.27Å; R139-Y151 HydrophobicContact CB-CD1 4.13Å; R139-Y151 HydrophobicContact CB-CE1 4.13Å; R139-Y151 HydrophobicContact CG-CD1 4.5Å; R139-Y151 HydrophobicContact CG-CE1 4.27Å
140V94.3Very high91.1Very high82 Ų82105.5 Ų105.550%0.49752%0.52SS..EExtended strand (participates in β ladder)trans-90.5-39.5-178.3-177.40000111K138 V150 M152K138-V140 PolarHBondContact O-N 2.97Å; V140-V150 PolarHBondContact N-O 3.41Å; V140-M152 HydrophobicContact CG2-CB 3.43Å; V140-M152 VanDerWaalsContact CG2-CB 3.43Å; V140-M152 HydrophobicContact CG2-CE 4.26Å; V140-M152 HydrophobicContact CG2-CG 4.47Å; V140-M152 HydrophobicContact CG2-SD 4.33Å
141K94.3Very high91.3Very high104 Ų104108.5 Ų108.545%0.45253%0.531SS..EExtended strand (participates in β ladder)trans-131136.6178.4-64.3-174.5177.2-178.30110.8V150K141-V150 HydrophobicContact CB-CB 4.15Å; K141-V150 HydrophobicContact CB-CG2 4.3Å; K141-V150 PolarHBondContact N-O 2.96Å; K141-V150 PolarHBondContact O-N 3.2Å
142K93.8Very high91.5Very high176 Ų176107.7 Ų107.777%0.76553%0.529SS*.  trans-71.9132.2169.2168.5155-173.2-167.10108.5
143G91.3Very high91.6Very high19 Ų19104 Ų10420%0.19651%0.51CS..  trans-73.6148.2169.500000110.7R147G143-R147 CarbonylContact C-O 3.49Å; G143-R147 WeakPolarHBondContact CA-O 3.36Å
144N94Very high91.5Very high95 Ų95104.1 Ų104.151%0.50851%0.511SS..  trans-121.7-177.5168.263.4-14.2000108.2E146 R147N144-E146 PolarHBondContact O-N 2.81Å; N144-R147 PolarHBondContact N-O 2.85Å; N144-R147 PolarHBondContact O-N 2.83Å; N144-R147 WeakPolarHBondContact OD1-CA 3.09Å; N144-R147 WeakPolarHBondContact OD1-CB 3.11Å; N144-R147 PolarHBondContact OD1-N 3.33Å; N144-R147 PolarHBondContact OD1-O 3.29Å
145E92.4Very high91.2Very high208 Ų208109.6 Ų109.697%0.97252%0.517SS*.SBendtrans-59.5-32.2178.5-66.7172.8-170.600112.1
146E92Very high90.8Very high179 Ų179114 Ų11484%0.83653%0.534SS*.SBendtrans-83.9-23-179.2-59.2178.1162.700114.1N144N144-E146 PolarHBondContact O-N 2.81Å
147R90.1Very high90.7Very high130 Ų130116.3 Ų116.349%0.49154%0.539SS..SBendtrans-142.7132-169.4-168.4-174.3-179.6150.911.6112.4G143 N144G143-R147 CarbonylContact C-O 3.49Å; G143-R147 WeakPolarHBondContact CA-O 3.36Å; N144-R147 PolarHBondContact N-O 2.85Å; N144-R147 PolarHBondContact O-N 2.83Å; N144-R147 WeakPolarHBondContact OD1-CA 3.09Å; N144-R147 WeakPolarHBondContact OD1-CB 3.11Å; N144-R147 PolarHBondContact OD1-N 3.33Å; N144-R147 PolarHBondContact OD1-O 3.29Å
148P90Very high90.2Very high95 Ų95125.2 Ų125.262%0.61758%0.576SS**  trans-67.2153.8176.129-35.6000112.4
149P93.8Very high89.4Confident53 Ų53133.3 Ų133.334%0.34460%0.602SS.*  trans-62.3144.5171.627.1-33.7000111.2Y151P149-Y151 HydrophobicContact CB-CE2 3.84Å; P149-Y151 HydrophobicContact CG-CE2 3.79Å
150V93.9Very high89.2Confident57 Ų57133.7 Ų133.735%0.34561%0.609SS.*EExtended strand (participates in β ladder)trans-111.2126.4178.8-176.20000109.5V140 K141V140-V150 PolarHBondContact N-O 3.41Å; K141-V150 HydrophobicContact CB-CB 4.15Å; K141-V150 HydrophobicContact CB-CG2 4.3Å; K141-V150 PolarHBondContact N-O 2.96Å; K141-V150 PolarHBondContact O-N 3.2Å
151Y93.4Very high88.9Confident70 Ų70136.4 Ų136.428%0.27561%0.614SS.*EExtended strand (participates in β ladder)trans-111.5146.9179.8-61.3-89000110.6L127 P137 R139 P149L127-Y151 HydrophobicContact CD1-CE2 4.27Å; L127-Y151 HydrophobicContact CD2-CD1 4.32Å; L127-Y151 HydrophobicContact CD2-CD2 4.46Å; L127-Y151 HydrophobicContact CD2-CE1 4.42Å; L127-Y151 HydrophobicContact CD2-CG 4.33Å; P137-Y151 HydrophobicContact CG-CD1 4.17Å; R139-Y151 HydrophobicContact CB-CD1 4.13Å; R139-Y151 HydrophobicContact CB-CE1 4.13Å; R139-Y151 HydrophobicContact CG-CD1 4.5Å; R139-Y151 HydrophobicContact CG-CE1 4.27Å; P149-Y151 HydrophobicContact CB-CE2 3.84Å; P149-Y151 HydrophobicContact CG-CE2 3.79Å
152M93Very high88.6Confident107 Ų107138.2 Ų138.253%0.52762%0.623SS.*EExtended strand (participates in β ladder)trans-124.7119.8174.4-177.7174.670.100108.5P137 K138 V140P137-M152 CarbonylContact C-O 3.6Å; K138-M152 HydrophobicContact CD-CE 4.46Å; K138-M152 PolarHBondContact N-O 3.47Å; K138-M152 PolarHBondContact O-N 2.79Å; V140-M152 HydrophobicContact CG2-CB 3.43Å; V140-M152 VanDerWaalsContact CG2-CB 3.43Å; V140-M152 HydrophobicContact CG2-CE 4.26Å; V140-M152 HydrophobicContact CG2-CG 4.47Å; V140-M152 HydrophobicContact CG2-SD 4.33Å
153W90.9Very high88.3Confident94 Ų94136 Ų13636%0.35662%0.615SS.*  trans-76.7141.4172.5-74.9-96.2000109.7M123 L126 L127 P137 F155M123-W153 HydrophobicContact CE-CH2 3.62Å; M123-W153 HydrophobicContact CE-CZ3 4.14Å; M123-W153 HydrophobicContact SD-CH2 4.45Å; L126-W153 HydrophobicContact CB-CZ2 4.1Å; L127-W153 HydrophobicContact CD2-CZ2 4.32Å; P137-W153 HydrophobicContact CB-CD2 3.98Å; P137-W153 HydrophobicContact CB-CG 4.04Å; P137-W153 HydrophobicContact CB-CZ2 4.43Å; P137-W153 HydrophobicContact CG-CZ2 4.29Å; W153-F155 PolarHBondContact O-N 3.1Å
154K86.3Confident88.1Confident159 Ų159143.3 Ų143.369%0.69164%0.641SS**  trans-65.2128165.2-70.5-174.5179.5-179.60107.3E156K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.15Å
155F81.4Confident87.7Confident178 Ų178146.5 Ų146.578%0.78165%0.65SS**  trans-74.6103.8176.8-178.1-98.4000108.8W153 R157W153-F155 PolarHBondContact O-N 3.1Å; F155-R157 HydrophobicContact CD1-CG 4.4Å; F155-R157 HydrophobicContact CE1-CG 3.59Å; F155-R157 HydrophobicContact CZ-CG 4.2Å
156E76.8Confident87.4Confident136 Ų136142.1 Ų142.164%0.63663%0.627SS**PPolyproline II helixtrans-101.4125.7166.4-69.3-178.2-17600108.2K154 K158K154-E156 PolarHBondContact O-N 3.45Å; K154-E156 VanDerWaalsContact O-N 3.15Å; E156-K158 PolarHBondContact O-N 3.28Å
157R84.5Confident87Confident209 Ų209139.3 Ų139.379%0.78961%0.611SS**PPolyproline II helixtrans-65.6132.6174.2-73.2-176.9173.8174-1.5108.2F155 R159F155-R157 HydrophobicContact CD1-CG 4.4Å; F155-R157 HydrophobicContact CE1-CG 3.59Å; F155-R157 HydrophobicContact CZ-CG 4.2Å; R157-R159 PolarHBondContact O-N 3.43Å; R157-R159 VanDerWaalsContact O-N 3.17Å
158K81.7Confident86.8Confident209 Ų209140.1 Ų140.191%0.90962%0.621SS**PPolyproline II helixtrans-58.4120.5162.8-64.2-174.3178.8-177.50106.9E156E156-K158 PolarHBondContact O-N 3.28Å
159R75.5Confident86.5Confident314 Ų314144.2 Ų144.2100%1.18562%0.622SS**  trans-83.20167.8-71.1-173.2-179.3-178.70.5109.4R157R157-R159 PolarHBondContact O-N 3.43Å; R157-R159 VanDerWaalsContact O-N 3.17Å

Retrieved 159 of 159 residues in 99.2 ms (Link to these results)