A0A077YY10_TRITR Loading...

TKL protein kinase, variant

AlphaFold DB , UniProt , Accession A0A077YY10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 113 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
1M39.3Very low40Very low239 Ų239140.6 Ų140.6100%1.17782%0.823SS**  077.70-63.6179.7165.800105.7
2S38.6Very low39.8Very low111 Ų111137.9 Ų137.978%0.77681%0.813SS**  72.684.299.5-57.40000111
3S41.7Very low39.2Very low109 Ų109139.2 Ų139.276%0.76281%0.814SS**  80.181.181.864.80000113.4G5S3-G5 PolarHBondContact O-N 3.22Å
4D43.7Very low38.9Very low171 Ų171140.5 Ų140.591%0.91481%0.814SS**  trans-83.589.9162.8-71.8-45.5000108.9Q6D4-Q6 PolarHBondContact O-N 3.04Å
5G40Very low38.2Very low72 Ų72138.8 Ų138.874%0.74281%0.806SS**  trans-67.1114.3173.200000110.5S3 N7S3-G5 PolarHBondContact O-N 3.22Å; G5-N7 PolarHBondContact O-N 3.28Å
6Q46.3Very low38Very low193 Ų193134.1 Ų134.190%0.90279%0.789SS**  trans-63.1115.4167.8-72.1178.4-9.300109D4 A8D4-Q6 PolarHBondContact O-N 3.04Å; Q6-A8 PolarHBondContact O-N 3.06Å
7N37.9Very low37.5Very low143 Ų143134.3 Ų134.377%0.76578%0.784SS**  trans-61.395.2179.7-169.9-2000110.3G5 D9G5-N7 PolarHBondContact O-N 3.28Å; N7-D9 PolarHBondContact O-N 3.24Å
8A41.2Very low37Very low106 Ų106133.4 Ų133.488%0.87678%0.783SS**  trans-84.622.5-179.200000113.6Q6Q6-A8 PolarHBondContact O-N 3.06Å
9D39.6Very low37.1Very low140 Ų140132.9 Ų132.975%0.74978%0.776SS**  trans-115.521.5-167-140.2-9.8000115N7 P11N7-D9 PolarHBondContact O-N 3.24Å; D9-P11 WeakPolarHBondContact O-CD 3.46Å
10Q33.1Very low36.7Very low173 Ų173129.3 Ų129.381%0.80877%0.768SS**  trans-104.4107172.4-161.1165.9-6.500110.7
11P38Very low36.4Very low90 Ų90130.8 Ų130.858%0.58477%0.773SS**  trans-65.8143.7170.926.3-31.1000110.2D9D9-P11 WeakPolarHBondContact O-CD 3.46Å
12P38Very low36Very low108 Ų108127 Ų12770%0.70176%0.757SS**  trans-64.4140177.526.8-33.2000110.4I14P12-I14 PolarHBondContact O-N 2.88Å
13D32.1Very low35.4Very low154 Ų154125.7 Ų125.782%0.82476%0.761SS**  trans-53.5107.3174.2-79-43.7000110.3V15D13-V15 PolarHBondContact O-N 3.48Å
14I35.4Very low34.8Very low158 Ų158124.5 Ų124.581%0.8176%0.758SS**  trans-79.2100.2170.2-62174.1000106.9P12 A16P12-I14 PolarHBondContact O-N 2.88Å; I14-A16 PolarHBondContact O-N 2.91Å; I14-A16 VanDerWaalsContact O-N 3.13Å
15V28.4Very low34.1Very low115 Ų115125.5 Ų125.570%0.69776%0.757SS**  trans-75.995.1168.1-177.20000108D13 L17D13-V15 PolarHBondContact O-N 3.48Å; V15-L17 HydrophobicContact CG1-CD2 4.25Å; V15-L17 HydrophobicContact CG1-CG 4.4Å; V15-L17 PolarHBondContact O-N 3.41Å
16A35.1Very low33.8Very low64 Ų64126.1 Ų126.153%0.52975%0.748SS.*  trans-71.8107.4166.900000108.6I14 F44I14-A16 PolarHBondContact O-N 2.91Å; I14-A16 VanDerWaalsContact O-N 3.13Å; A16-F44 HydrophobicContact CB-CE1 4.31Å
17L28.5Very low32.8Very low137 Ų137122.4 Ų122.472%0.71774%0.743SS**  trans-78.4126.4172.1-69.5167.6000108.8V15 I19V15-L17 HydrophobicContact CG1-CD2 4.25Å; V15-L17 HydrophobicContact CG1-CG 4.4Å; V15-L17 PolarHBondContact O-N 3.41Å; L17-I19 PolarHBondContact O-N 3.06Å
18P29Very low32.1Very low118 Ų118118.9 Ų118.977%0.76674%0.741SS**  trans-62.5125.617623.9-31.3000109.6G20P18-G20 PolarHBondContact O-N 2.85Å
19I38.9Very low31.4Very low124 Ų124124.8 Ų124.864%0.63674%0.741SS**  trans-74.186.5172.5-54.5175.5000106.8L17 N21L17-I19 PolarHBondContact O-N 3.06Å; I19-N21 PolarHBondContact O-N 3.4Å
20G30.1Very low30.9Very low61 Ų61126.9 Ų126.963%0.62974%0.739SS**  trans-55.6121.6172.600000110.3P18 N22P18-G20 PolarHBondContact O-N 2.85Å; G20-N22 VanDerWaalsContact C-N 3.27Å; G20-N22 PolarHBondContact O-N 2.96Å
21N30.5Very low30.7Very low161 Ų161122.9 Ų122.986%0.86174%0.744SS**  trans-72.873.1-174.7-158.714.5000110.8I19I19-N21 PolarHBondContact O-N 3.4Å
22N29.7Very low30.4Very low158 Ų158127.2 Ų127.285%0.84575%0.749SS**  trans-130.499175.4-86.1-27.6000111.1G20 A24G20-N22 VanDerWaalsContact C-N 3.27Å; G20-N22 PolarHBondContact O-N 2.96Å; N22-A24 PolarHBondContact O-N 3.25Å
23G26.6Very low30.3Very low84 Ų84128.9 Ų128.987%0.86675%0.751SS**  trans31.785.2146.100000118.9
24A28.5Very low31.1Very low85 Ų85124.8 Ų124.870%0.70273%0.725SS**  trans-165106.4147.100000109.4N22 P26N22-A24 PolarHBondContact O-N 3.25Å; A24-P26 WeakPolarHBondContact O-CD 3.4Å
25Q28.8Very low31.6Very low192 Ų192120.3 Ų120.390%0.89771%0.707SS**  trans-70.4123.3163.6-81176.4-22.700108.5S27Q25-S27 PolarHBondContact O-N 2.86Å
26P33.4Very low32.4Very low84 Ų84119.7 Ų119.755%0.54570%0.695SS.*  trans-89105.5167.9117.7000108.8A24A24-P26 WeakPolarHBondContact O-CD 3.4Å
27S26.1Very low32.7Very low115 Ų115121.4 Ų121.480%0.80470%0.701SS**  trans-54.2128.2160.651.60000110.9Q25Q25-S27 PolarHBondContact O-N 2.86Å
28G23.9Very low33.4Very low69 Ų69118.4 Ų118.471%0.71169%0.685SS**SBendtrans56.195.4157.300000117.1
29R26.2Very low34Very low230 Ų230119.2 Ų119.287%0.86868%0.682SS**  trans165.2117.4144.3-92.8160.9-176-156.12.8108.3
30Y29Very low34.3Very low184 Ų184119.5 Ų119.572%0.72269%0.685SS**SBendtrans31.9116.2145.5-52.1-87.3000118.5
31G28.3Very low34.8Very low89 Ų89119 Ų11992%0.91868%0.68SS**  trans83.566.3156.900000115.5
32R31.6Very low35.4Very low182 Ų182115.9 Ų115.969%0.68766%0.663SS**  trans-121.4136.4167.3-156.1175.8-171.9-159.42.6108.3
33L35.9Very low36.1Very low142 Ų142112.7 Ų112.774%0.74365%0.649SS**  trans96.786.7170.7-48.4171.3000115.8
34R50.2Low37Very low69 Ų69112.8 Ų112.826%0.2663%0.626SS.*  trans-108.989.9131.8-69.7-173.5-179.7-153.4-7.1106.3F36 M48 V83R34-F36 HydrophobicContact CB-CD2 4.44Å; R34-F36 HydrophobicContact CB-CE2 3.63Å; R34-F36 HydrophobicContact CB-CZ 3.84Å; R34-M48 PolarHBondContact NH1-SD 2.88Å; R34-V83 VanDerWaalsContact NH2-CG1 3.31Å; R34-V83 PolarHBondContact NH2-O 1.97Å
35S44.6Very low37.9Very low63 Ų63110.8 Ų110.844%0.44161%0.614SS.*EExtended strand (participates in β ladder)trans-79.3115.3167.739.40000107.9F44S35-F44 CarbonylContact C-O 3.52Å; S35-F44 VanDerWaalsContact CA-O 3.26Å; S35-F44 WeakPolarHBondContact CA-O 2.88Å
36F45.5Very low38.8Very low103 Ų103104.5 Ų104.545%0.45260%0.6SS.*EExtended strand (participates in β ladder)trans-99.8114.7170.6-62.2-80000107.7R34 F44 M48R34-F36 HydrophobicContact CB-CD2 4.44Å; R34-F36 HydrophobicContact CB-CE2 3.63Å; R34-F36 HydrophobicContact CB-CZ 3.84Å; F36-F44 PolarHBondContact N-O 3.26Å; F36-F44 PolarHBondContact O-N 2.98Å; F36-M48 HydrophobicContact CE2-CE 4.12Å; F36-M48 HydrophobicContact CZ-CE 3.57Å
37P42.3Very low39.6Very low99 Ų99108.9 Ų108.964%0.64361%0.613SS**EExtended strand (participates in β ladder)trans-69.7133.1169.529-31.5000109.1D42P37-D42 CarbonylContact C-O 3.46Å; P37-D42 VanDerWaalsContact CA-O 3.31Å; P37-D42 WeakPolarHBondContact CA-O 2.75Å
38D41.6Very low40.6Very low74 Ų74106.6 Ų106.640%0.39659%0.591SS.*  trans-73.6170.8164.5-148.7-15.5000110.6D40 G41 D42 F44D38-D40 PolarHBondContact O-N 3.08Å; D38-G41 PolarHBondContact O-N 3.25Å; D38-D42 HydrophobicContact CB-CB 4.15Å; D38-D42 PolarHBondContact N-O 3.09Å; D38-F44 HydrophobicContact CB-CD2 4.36Å; D38-F44 HydrophobicContact CB-CE2 3.7Å; D38-F44 WeakPolarHBondContact OD2-CE2 3.39Å
39I41.5Very low41.7Very low135 Ų135109.7 Ų109.769%0.69260%0.595SS**THydrogen-bonded Turntrans-56.4-29.4173.6-165.5164000112.7G41I39-G41 VanDerWaalsContact C-N 3.33Å
40D45.5Very low42.5Very low131 Ų131102.8 Ų102.870%0.70159%0.587SS**THydrogen-bonded Turntrans-88.61.5178.7-62.6-42.6000113.2D38 D42D38-D40 PolarHBondContact O-N 3.08Å; D40-D42 VanDerWaalsContact C-N 3.29Å
41G41.8Very low43.2Very low51 Ų5196.2 Ų96.253%0.52657%0.571SS.*SBendtrans83.81.8-176.900000114.2D38 I39D38-G41 PolarHBondContact O-N 3.25Å; I39-G41 VanDerWaalsContact C-N 3.33Å
42D43.1Very low43.6Very low95 Ų9598.8 Ų98.851%0.50856%0.557SS.*  trans-67.1134174.6-76.4-34.3000111.1P37 D38 D40 F44P37-D42 CarbonylContact C-O 3.46Å; P37-D42 VanDerWaalsContact CA-O 3.31Å; P37-D42 WeakPolarHBondContact CA-O 2.75Å; D38-D42 HydrophobicContact CB-CB 4.15Å; D38-D42 PolarHBondContact N-O 3.09Å; D40-D42 VanDerWaalsContact C-N 3.29Å; D42-F44 HydrophobicContact CB-CE2 4.47Å; D42-F44 HydrophobicContact CB-CZ 4.46Å
43V44.2Very low43.7Very low91 Ų9197.4 Ų97.455%0.55256%0.558SS**EExtended strand (participates in β ladder)trans-103.8113.5-174.2177.10000110.7
44F45.7Very low43.6Very low86 Ų8693.2 Ų93.238%0.37754%0.536SS..EExtended strand (participates in β ladder)trans-94.2129.5172.8-59.3-74.5000110.9A16 S35 F36 D38 D42A16-F44 HydrophobicContact CB-CE1 4.31Å; S35-F44 CarbonylContact C-O 3.52Å; S35-F44 VanDerWaalsContact CA-O 3.26Å; S35-F44 WeakPolarHBondContact CA-O 2.88Å; F36-F44 PolarHBondContact N-O 3.26Å; F36-F44 PolarHBondContact O-N 2.98Å; D38-F44 HydrophobicContact CB-CD2 4.36Å; D38-F44 HydrophobicContact CB-CE2 3.7Å; D38-F44 WeakPolarHBondContact OD2-CE2 3.39Å; D42-F44 HydrophobicContact CB-CE2 4.47Å; D42-F44 HydrophobicContact CB-CZ 4.46Å
45G46.7Very low42.5Very low43 Ų4391.8 Ų91.844%0.44354%0.543SS..EExtended strand (participates in β ladder)trans-124.2149.9174.600000111.5
46G48.9Very low41.8Very low60 Ų6095.6 Ų95.662%0.61955%0.553SS**  trans178.9176.7177.100000112.8
47H48.3Very low41.2Very low175 Ų17593.7 Ų93.781%0.8155%0.55SS**  trans-73.1127.8167.8-169.771.9000108.9V49H47-V49 PolarHBondContact O-N 3.47Å; H47-V49 VanDerWaalsContact O-N 3.09Å
48M47.7Very low40.8Very low68 Ų6897 Ų9734%0.33555%0.55SS..  trans-75101.2176.7179.5170.7-84.300109.1R34 F36 A51R34-M48 PolarHBondContact NH1-SD 2.88Å; F36-M48 HydrophobicContact CE2-CE 4.12Å; F36-M48 HydrophobicContact CZ-CE 3.57Å; M48-A51 HydrophobicContact CE-CB 4.43Å; M48-A51 HydrophobicContact CG-CB 4.29Å; M48-A51 HydrophobicContact SD-CB 3.77Å
49V47.1Very low40.7Very low134 Ų13499.1 Ų99.181%0.81255%0.552SS**  trans-77.5-39.4-176.7178.80000111.7H47H47-V49 PolarHBondContact O-N 3.47Å; H47-V49 VanDerWaalsContact O-N 3.09Å
50A43.3Very low40.6Very low84 Ų8498.1 Ų98.169%0.69456%0.557SS**  trans-154.4145.8172.700000106.8
51A42.9Very low40.4Very low47 Ų4794.6 Ų94.639%0.38855%0.546SS..  trans-106.2126.3168.200000102.5M48 S100M48-A51 HydrophobicContact CE-CB 4.43Å; M48-A51 HydrophobicContact CG-CB 4.29Å; M48-A51 HydrophobicContact SD-CB 3.77Å; A51-S100 WeakPolarHBondContact CA-OG 3.3Å; A51-S100 WeakPolarHBondContact CB-OG 2.91Å; A51-S100 WeakPolarHBondContact O-CB 3.44Å; A51-S100 PolarHBondContact O-OG 3.46Å
52K38.4Very low40.2Very low143 Ų143100.4 Ų100.462%0.62255%0.552SS**  trans-96.9136.8-179.4-173.3171-178.9173.60110.2I54 L99 S100K52-I54 WeakPolarHBondContact O-CG1 2.8Å; K52-I54 PolarHBondContact O-N 2.89Å; K52-L99 WeakPolarHBondContact O-CA 3.39Å; K52-S100 PolarHBondContact N-OG 2.97Å; K52-S100 PolarHBondContact O-OG 3.21Å; K52-S100 VanDerWaalsContact O-OG 3.12Å
53E33.7Very low40.4Very low152 Ų15299.1 Ų99.171%0.7155%0.545SS*.  trans-50111.9163.4-109.1-148134.300109.2L99E53-L99 VanDerWaalsContact C-CD2 3.43Å; E53-L99 VanDerWaalsContact CA-CD2 3.45Å; E53-L99 HydrophobicContact CB-CB 4.35Å; E53-L99 HydrophobicContact CB-CD2 3.4Å; E53-L99 VanDerWaalsContact CB-CD2 3.4Å; E53-L99 HydrophobicContact CB-CG 4.33Å; E53-L99 VanDerWaalsContact CD-CD2 3.44Å; E53-L99 HydrophobicContact CG-CB 3.93Å; E53-L99 HydrophobicContact CG-CD2 3.19Å; E53-L99 HydrophobicContact CG-CG 4Å; E53-L99 VanDerWaalsContact OE1-CD2 3.29Å; E53-L99 WeakPolarHBondContact OE1-CD2 3.26Å
54I31.9Very low40.1Very low55 Ų5596.8 Ų96.828%0.28253%0.531SS..  trans-123108.7166.62.1168.2000109.6K52 R97 F98 L99K52-I54 WeakPolarHBondContact O-CG1 2.8Å; K52-I54 PolarHBondContact O-N 2.89Å; I54-R97 VanDerWaalsContact CB-C 3.42Å; I54-R97 HydrophobicContact CB-CB 3.32Å; I54-R97 HydrophobicContact CB-CG 3.55Å; I54-R97 HydrophobicContact CG2-CB 3.66Å; I54-R97 VanDerWaalsContact CG2-CD 3.45Å; I54-R97 HydrophobicContact CG2-CG 3.2Å; I54-R97 CarbonylContact O-C 2.83Å; I54-R97 WeakPolarHBondContact O-CA 2.92Å; I54-R97 WeakPolarHBondContact O-CB 3.2Å; I54-F98 VanDerWaalsContact CB-N 3.3Å; I54-F98 HydrophobicContact CD1-CB 4.32Å; I54-F98 VanDerWaalsContact CG1-C 3.45Å; I54-F98 VanDerWaalsContact CG1-O 3.31Å; I54-F98 WeakPolarHBondContact CG1-O 2.87Å; I54-F98 PolarHBondContact O-N 3.27Å; I54-L99 VanDerWaalsContact C-CG 3.47Å; I54-L99 VanDerWaalsContact N-CA 3.28Å; I54-L99 WeakPolarHBondContact O-CG 3.35Å; I54-L99 PolarHBondContact O-N 3.44Å
55G28Very low40.1Very low39 Ų3996.8 Ų96.840%0.40254%0.538SS..SBendtrans-60.2142-176.900000116.2R97G55-R97 WeakPolarHBondContact O-CB 3.41Å
56H29Very low39.8Very low142 Ų142100.5 Ų100.566%0.65754%0.539SS*.  trans87.160-178.5-120.287.6000115.9R58H56-R58 PolarHBondContact O-N 3Å
57V34.4Very low39.5Very low63 Ų63105.9 Ų105.938%0.38255%0.548SS..  trans-72.1101.4166.2176.70000109.3R59 R97 F98 L99V57-R59 VanDerWaalsContact C-N 3.29Å; V57-R59 WeakPolarHBondContact CG1-O 3.46Å; V57-R97 VanDerWaalsContact CG2-O 3.3Å; V57-R97 WeakPolarHBondContact CG2-O 2.89Å; V57-F98 HydrophobicContact CG1-CD1 4.46Å; V57-F98 HydrophobicContact CG1-CE1 4.22Å; V57-F98 HydrophobicContact CG2-CD1 4.27Å; V57-L99 HydrophobicContact CG2-CD1 4.36Å
58R33.8Very low39.2Very low169 Ų169103.8 Ų103.864%0.63853%0.533SS*.  trans-83.73172.3-78.7-169.2168.2-161.1-5.9114H56 N94H56-R58 PolarHBondContact O-N 3Å; R58-N94 PolarHBondContact NH1-ND2 3.13Å
59R39.6Very low38.7Very low118 Ų118107 Ų10745%0.44556%0.557SS.*SBendtrans-131.7123.5179.8-67.3-173.2-173.6151.45.5110.7V57 A61 G90 T91V57-R59 VanDerWaalsContact C-N 3.29Å; V57-R59 WeakPolarHBondContact CG1-O 3.46Å; R59-A61 PolarHBondContact O-N 3.21Å; R59-G90 PolarHBondContact NH2-O 3.18Å; R59-T91 PolarHBondContact NH2-O 2.94Å
60S37.5Very low38.4Very low114 Ų114102.5 Ų102.580%0.79753%0.531SS*.  trans-58.6121.1173.652.20000110.2
61A42.6Very low38.3Very low57 Ų57103.4 Ų103.447%0.47153%0.528SS..  trans-84.2120.9162.600000107.6R59 I63R59-A61 PolarHBondContact O-N 3.21Å; A61-I63 PolarHBondContact O-N 3.38Å
62R37.9Very low38Very low173 Ų173106.9 Ų106.965%0.65354%0.544SS*.EExtended strand (participates in β ladder)trans-87108.6166.6-170.8176.5179.2-169.6-0.5107.1V64R62-V64 HydrophobicContact CG-CG2 4.33Å
63I45.8Very low38Very low69 Ų69108 Ų10835%0.35456%0.555SS.*EExtended strand (participates in β ladder)trans-91.8115.4173.4-67.2168.9000107.6A61 V65 V83 E84 M85A61-I63 PolarHBondContact O-N 3.38Å; I63-V65 HydrophobicContact CG2-CG2 3.75Å; I63-V83 HydrophobicContact CG1-CG1 4.38Å; I63-V83 HydrophobicContact CG2-CG1 3.71Å; I63-E84 WeakPolarHBondContact CA-O 3.31Å; I63-M85 HydrophobicContact CG1-CG 4.35Å
64V38.7Very low38.4Very low42 Ų42103.9 Ų103.926%0.25554%0.538SS..EExtended strand (participates in β ladder)trans-100.7115.8168.7-173.50000107.8R62 Y66 E84R62-V64 HydrophobicContact CG-CG2 4.33Å; V64-Y66 HydrophobicContact CB-CE2 4.21Å; V64-Y66 HydrophobicContact CG1-CD2 4.07Å; V64-Y66 HydrophobicContact CG1-CE1 4.07Å; V64-Y66 HydrophobicContact CG1-CE2 3.51Å; V64-E84 PolarHBondContact N-O 3.27Å; V64-E84 PolarHBondContact O-N 3.22Å
65V46.4Very low38.5Very low86 Ų86106.7 Ų106.752%0.52155%0.548SS..EExtended strand (participates in β ladder)trans-100.6117.6172.8-174.30000107.8I63I63-V65 HydrophobicContact CG2-CG2 3.75Å
66Y40.3Very low38.9Very low121 Ų121114 Ų11448%0.47557%0.571SS.*EExtended strand (participates in β ladder)trans-91.4111.5171.3-66.9-80.2000109.2V64 R68V64-Y66 HydrophobicContact CB-CE2 4.21Å; V64-Y66 HydrophobicContact CG1-CD2 4.07Å; V64-Y66 HydrophobicContact CG1-CE1 4.07Å; V64-Y66 HydrophobicContact CG1-CE2 3.51Å; Y66-R68 PolarHBondContact O-N 2.99Å
67E42.4Very low39.4Very low173 Ų173115.3 Ų115.381%0.80858%0.576SS**  trans-73.5121.4168.5-171.9174.9-168.200108.9
68R41.8Very low39.5Very low131 Ų131113.5 Ų113.549%0.49457%0.565SS.*  trans-90.7109.4164.8-72.3-174.4-175.9178.32.9108.1Y66 C70Y66-R68 PolarHBondContact O-N 2.99Å; R68-C70 PolarHBondContact O-N 2.86Å
69T37.7Very low39.6Very low135 Ų135109.4 Ų109.483%0.82856%0.561SS**  trans-68117.8167.7-3.20000108.1
70C40.6Very low39.5Very low40 Ų40106 Ų10627%0.2756%0.559SS.*  trans-117.4132.7-178.5-70.40000112.2R68 C78R68-C70 PolarHBondContact O-N 2.86Å; C70-C78 HydrophobicContact CB-CB 3.31Å; C70-C78 WeakPolarHBondContact CB-SG 3.38Å; C70-C78 WeakPolarHBondContact SG-CB 3.31Å; C70-C78 CovalentContact SG-SG 1.97Å; C70-C78 PolarHBondContact SG-SG 3.12Å
71T39.9Very low39.4Very low103 Ų103103.1 Ų103.163%0.63254%0.538SS*.  trans-67.4155.7175.4590000109.5I73 D74T71-I73 PolarHBondContact O-N 3.44Å; T71-D74 PolarHBondContact O-N 3.32Å
72V37.1Very low39.1Very low119 Ų119103.5 Ų103.572%0.72154%0.535SS*.THydrogen-bonded Turntrans-55.1-24.1-169.7-166.50000113.5K75V72-K75 HydrophobicContact CG1-CD 4.49Å
73I38.1Very low38.8Very low168 Ų16897.3 Ų97.386%0.86252%0.517SS*.THydrogen-bonded Turntrans-79.2-19.5-178.7-60.6169.2000112.2T71T71-I73 PolarHBondContact O-N 3.44Å
74D43.1Very low38.3Very low65 Ų6598.8 Ų98.835%0.34852%0.522SS..SBendtrans-114.710.7-171.4-143.95.1000113.6T71 Q76 K77 C78T71-D74 PolarHBondContact O-N 3.32Å; D74-Q76 PolarHBondContact O-N 3.32Å; D74-K77 PolarHBondContact O-N 2.91Å; D74-K77 WeakPolarHBondContact OD1-CB 3.29Å; D74-K77 WeakPolarHBondContact OD1-CD 3.21Å; D74-C78 WeakPolarHBondContact O-CB 3.44Å; D74-C78 PolarHBondContact O-N 3.17Å; D74-C78 PolarHBondContact O-SG 2.99Å
75K33.6Very low38Very low113 Ų113100.6 Ų100.649%0.49153%0.529SS..THydrogen-bonded Turntrans-60.9-20.8-175.2-72.9-174.6173-175.40114.2V72 C79V72-K75 HydrophobicContact CG1-CD 4.49Å; K75-C79 PolarHBondContact O-SG 3.21Å; K75-C79 VanDerWaalsContact O-SG 3.4Å
76Q36.4Very low37.3Very low192 Ų192103.5 Ų103.590%0.89754%0.536SS*.THydrogen-bonded Turntrans-82.1-25.5175.6-72.3-173.8-7.700114D74D74-Q76 PolarHBondContact O-N 3.32Å
77K39.2Very low37Very low171 Ų171101.1 Ų101.174%0.74355%0.549SS*.THydrogen-bonded Turntrans-94.1-14.9-179.7-64.8-176.9-177.1165.90113D74D74-K77 PolarHBondContact O-N 2.91Å; D74-K77 WeakPolarHBondContact OD1-CB 3.29Å; D74-K77 WeakPolarHBondContact OD1-CD 3.21Å
78C37.4Very low36.5Very low25 Ų2597.6 Ų97.617%0.16954%0.544CS..  trans-92.3-4.4-170.2-77.60000116.6C70 D74 A80C70-C78 HydrophobicContact CB-CB 3.31Å; C70-C78 WeakPolarHBondContact CB-SG 3.38Å; C70-C78 WeakPolarHBondContact SG-CB 3.31Å; C70-C78 CovalentContact SG-SG 1.97Å; C70-C78 PolarHBondContact SG-SG 3.12Å; D74-C78 WeakPolarHBondContact O-CB 3.44Å; D74-C78 PolarHBondContact O-N 3.17Å; D74-C78 PolarHBondContact O-SG 2.99Å; C78-A80 PolarHBondContact O-N 2.96Å
79C35.5Very low36.1Very low82 Ų8297.7 Ų97.755%0.55456%0.561SS**  trans-69.813.3179.7-60.40000114.3K75 S81K75-C79 PolarHBondContact O-SG 3.21Å; K75-C79 VanDerWaalsContact O-SG 3.4Å; C79-S81 PolarHBondContact O-N 2.72Å
80A37.8Very low35.8Very low48 Ų4893.1 Ų93.140%0.39754%0.541SS..  trans-94.388.7173.600000110C78C78-A80 PolarHBondContact O-N 2.96Å
81S34.7Very low35.5Very low52 Ų5296.9 Ų96.936%0.36456%0.563SS.*  trans-79.4125.4163.329.60000109.4C79C79-S81 PolarHBondContact O-N 2.72Å
82T36Very low35.1Very low65 Ų6598.1 Ų98.140%0.39957%0.57SS.*EExtended strand (participates in β ladder)trans-86.6130.4175.1-70000109.3
83V31.6Very low34.8Very low44 Ų4499.8 Ų99.827%0.26757%0.57SS.*EExtended strand (participates in β ladder)trans-11099.4171.7175.20000107.1R34 I63 M85R34-V83 VanDerWaalsContact NH2-CG1 3.31Å; R34-V83 PolarHBondContact NH2-O 1.97Å; I63-V83 HydrophobicContact CG1-CG1 4.38Å; I63-V83 HydrophobicContact CG2-CG1 3.71Å; V83-M85 HydrophobicContact CG1-CG 4.34Å
84E35.3Very low34.3Very low100 Ų10097 Ų9747%0.46756%0.557SS.*EExtended strand (participates in β ladder)trans-82.9133.9170.6-65.6-174.5165.200109.1I63 V64I63-E84 WeakPolarHBondContact CA-O 3.31Å; V64-E84 PolarHBondContact N-O 3.27Å; V64-E84 PolarHBondContact O-N 3.22Å
85M33Very low33.6Very low80 Ų80106.1 Ų106.139%0.39459%0.587SS.*EExtended strand (participates in β ladder)trans-120110.9172.6-62.9-167.4-52.400108.1I63 V83I63-M85 HydrophobicContact CG1-CG 4.35Å; V83-M85 HydrophobicContact CG1-CG 4.34Å
86E32.8Very low33.2Very low146 Ų146102.9 Ų102.968%0.68259%0.585SS**EExtended strand (participates in β ladder)trans-88.5123.7165.6-80-163.1133.400109.5
87G32.9Very low32.8Very low72 Ų72101.2 Ų101.274%0.74257%0.57SS**  trans-108.2121.6168.200000110
88S31.9Very low32.3Very low99 Ų9998.7 Ų98.769%0.69256%0.559SS**  trans-74.1137.7175.5-620000111.7G90S88-G90 PolarHBondContact O-N 3.28Å
89P34.1Very low32Very low133 Ų133101 Ų10186%0.86457%0.57SS**  trans-74.6123.2173.829.6-30.3000109.5
90G31.3Very low31.8Very low39 Ų3998.6 Ų98.640%0.40255%0.554SS.*  trans-173.898.6-179.800000113.7R59 S88R59-G90 PolarHBondContact NH2-O 3.18Å; S88-G90 PolarHBondContact O-N 3.28Å
91T34Very low31.3Very low119 Ų119103.9 Ų103.973%0.7357%0.57SS**  trans64.3131.316367.30000119R59 E93R59-T91 PolarHBondContact NH2-O 2.94Å; T91-E93 VanDerWaalsContact C-N 3.27Å; T91-E93 PolarHBondContact O-N 3.06Å; T91-E93 VanDerWaalsContact O-N 3.17Å
92T31.1Very low31Very low129 Ų129110.4 Ų110.479%0.79160%0.595SS**SBendtrans-79.521-165.429.70000115.5
93E29.9Very low30.6Very low154 Ų154111.7 Ų111.772%0.7260%0.603SS**  trans-120.2110.8-178-66.8179.8155.100108.8T91T91-E93 VanDerWaalsContact C-N 3.27Å; T91-E93 PolarHBondContact O-N 3.06Å; T91-E93 VanDerWaalsContact O-N 3.17Å
94N28.9Very low30.3Very low108 Ų108117.1 Ų117.158%0.57863%0.629SS**  trans143.1100.1149.9-71.5-53.7000110.8R58R58-N94 PolarHBondContact NH1-ND2 3.13Å
95R27.3Very low29.9Very low258 Ų258116.3 Ų116.397%0.97463%0.631SS**  trans-52.7135.1169.1-69.3170.9169.7166.8-4.3110.9
96G26.9Very low29.5Very low44 Ų44116.3 Ų116.345%0.45464%0.644SS.*  trans117145.2159.600000113.1
97R27.1Very low29.2Very low158 Ų158112.8 Ų112.860%0.59664%0.64SS**  113.645.7111.8-28.7-166.4174.6-157.46.2119.4I54 G55 V57I54-R97 VanDerWaalsContact CB-C 3.42Å; I54-R97 HydrophobicContact CB-CB 3.32Å; I54-R97 HydrophobicContact CB-CG 3.55Å; I54-R97 HydrophobicContact CG2-CB 3.66Å; I54-R97 VanDerWaalsContact CG2-CD 3.45Å; I54-R97 HydrophobicContact CG2-CG 3.2Å; I54-R97 CarbonylContact O-C 2.83Å; I54-R97 WeakPolarHBondContact O-CA 2.92Å; I54-R97 WeakPolarHBondContact O-CB 3.2Å; G55-R97 WeakPolarHBondContact O-CB 3.41Å; V57-R97 VanDerWaalsContact CG2-O 3.3Å; V57-R97 WeakPolarHBondContact CG2-O 2.89Å
98F29.1Very low29Very low117 Ų117114.4 Ų114.451%0.51364%0.637SS.*  trans-10590.5-174.8-79.4-77.1000116.8I54 V57I54-F98 VanDerWaalsContact CB-N 3.3Å; I54-F98 HydrophobicContact CD1-CB 4.32Å; I54-F98 VanDerWaalsContact CG1-C 3.45Å; I54-F98 VanDerWaalsContact CG1-O 3.31Å; I54-F98 WeakPolarHBondContact CG1-O 2.87Å; I54-F98 PolarHBondContact O-N 3.27Å; V57-F98 HydrophobicContact CG1-CD1 4.46Å; V57-F98 HydrophobicContact CG1-CE1 4.22Å; V57-F98 HydrophobicContact CG2-CD1 4.27Å
99L30.6Very low28.8Very low74 Ų74114.3 Ų114.339%0.38764%0.637SS.*  trans-60.3159.2176.7-47.6145.5000113.8K52 E53 I54 V57K52-L99 WeakPolarHBondContact O-CA 3.39Å; E53-L99 VanDerWaalsContact C-CD2 3.43Å; E53-L99 VanDerWaalsContact CA-CD2 3.45Å; E53-L99 HydrophobicContact CB-CB 4.35Å; E53-L99 HydrophobicContact CB-CD2 3.4Å; E53-L99 VanDerWaalsContact CB-CD2 3.4Å; E53-L99 HydrophobicContact CB-CG 4.33Å; E53-L99 VanDerWaalsContact CD-CD2 3.44Å; E53-L99 HydrophobicContact CG-CB 3.93Å; E53-L99 HydrophobicContact CG-CD2 3.19Å; E53-L99 HydrophobicContact CG-CG 4Å; E53-L99 VanDerWaalsContact OE1-CD2 3.29Å; E53-L99 WeakPolarHBondContact OE1-CD2 3.26Å; I54-L99 VanDerWaalsContact C-CG 3.47Å; I54-L99 VanDerWaalsContact N-CA 3.28Å; I54-L99 WeakPolarHBondContact O-CG 3.35Å; I54-L99 PolarHBondContact O-N 3.44Å; V57-L99 HydrophobicContact CG2-CD1 4.36Å
100S31.4Very low28.8Very low32 Ų32113.9 Ų113.922%0.22464%0.637CS.*  trans-132118.7-162.6-66.60000110.4A51 K52A51-S100 WeakPolarHBondContact CA-OG 3.3Å; A51-S100 WeakPolarHBondContact CB-OG 2.91Å; A51-S100 WeakPolarHBondContact O-CB 3.44Å; A51-S100 PolarHBondContact O-OG 3.46Å; K52-S100 PolarHBondContact N-OG 2.97Å; K52-S100 PolarHBondContact O-OG 3.21Å; K52-S100 VanDerWaalsContact O-OG 3.12Å
101Q27.9Very low28.8Very low158 Ų158118.2 Ų118.274%0.73866%0.656SS**  trans-85.4115.2175.5-76.3177.1-20.400108.7V103Q101-V103 PolarHBondContact O-N 3.43Å
102E28.5Very low28.6Very low190 Ų190116 Ų11689%0.88866%0.656SS**  trans-60.5112158.6-69.4-176.2151.200108.2L104E102-L104 PolarHBondContact O-N 3.18Å
103V26.8Very low28.7Very low91 Ų91125 Ų12555%0.55268%0.676SS**  trans-87.895.2163.1-178.50000106.2Q101 V105Q101-V103 PolarHBondContact O-N 3.43Å; V103-V105 VanDerWaalsContact C-N 3.3Å; V103-V105 HydrophobicContact CG1-CG2 3.85Å; V103-V105 PolarHBondContact O-N 3.49Å
104L25.8Very low28.6Very low158 Ų158123.6 Ų123.683%0.82767%0.674SS**  trans-67.991.1168.4-163.980.8000108E102 A106E102-L104 PolarHBondContact O-N 3.18Å; L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 2.9Å; L104-A106 VanDerWaalsContact O-N 3.08Å
105V26.5Very low28.6Very low83 Ų83124.4 Ų124.450%0.50368%0.679SS.*  trans-76.694.4167-175.30000106.6V103 A107V103-V105 VanDerWaalsContact C-N 3.3Å; V103-V105 HydrophobicContact CG1-CG2 3.85Å; V103-V105 PolarHBondContact O-N 3.49Å; V105-A107 PolarHBondContact O-N 3.24Å
106A24.9Very low28.6Very low81 Ų81117 Ų11767%0.66966%0.662SS**  trans-59.8105.916700000108.1L104L104-A106 VanDerWaalsContact C-N 3.34Å; L104-A106 PolarHBondContact O-N 2.9Å; L104-A106 VanDerWaalsContact O-N 3.08Å
107A25.8Very low28.7Very low72 Ų72121.3 Ų121.360%0.59568%0.675SS**  trans-58.2131161.600000107.1V105 S109V105-A107 PolarHBondContact O-N 3.24Å; A107-S109 PolarHBondContact O-N 2.76Å
108P29.1Very low28.8Very low105 Ų105119 Ų11968%0.68268%0.68SS**  trans-59.3114.8173.422.8-30.2000107.8S110P108-S110 PolarHBondContact O-N 3.47Å
109S28.3Very low28.8Very low98 Ų98119.1 Ų119.169%0.68569%0.691SS**  trans-56.9115.4172.559.70000107.5A107 T111A107-S109 PolarHBondContact O-N 2.76Å; S109-T111 PolarHBondContact O-N 2.89Å
110S33.5Very low28.7Very low124 Ų124122.4 Ų122.487%0.86771%0.712SS**  trans-75.362.617448.80000110.4P108 G112P108-S110 PolarHBondContact O-N 3.47Å; S110-G112 PolarHBondContact O-N 3.17Å
111T31.9Very low28.5Very low130 Ų130129.3 Ų129.380%0.79875%0.75SS**  trans-86.372.8156.711.90000107.2S109S109-T111 PolarHBondContact O-N 2.89Å
112G28.5Very low28.6Very low72 Ų72126.9 Ų126.974%0.74275%0.751SS**  trans-102.889166.400000108.8S110S110-G112 PolarHBondContact O-N 3.17Å
113R33.1Very low28.6Very low319 Ų319121.2 Ų121.2100%1.20474%0.739SS**  trans-160.30145.7-104.5-173.6-173.6-178.32.4108.4

Retrieved 113 of 113 residues in 50.2 ms (Link to these results)