A0A087WP77_MOUSE Loading...

NADH:ubiquinone oxidoreductase core subunit S1

AlphaFold DB , UniProt , Accession A0A087WP77, Species MOUSE (Mus musculus, Mouse), Gene Ndufs1, Length 135 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.4Very low42.9Very low239 Ų239170.2 Ų170.2100%1.17784%0.84SS**  0110.80-77175.1176.400108.2
2L36.8Very low42.3Very low153 Ų153160.8 Ų160.880%0.80182%0.82SS**  trans50106148.6-61.3158.7000118.5
3R39.3Very low42.3Very low216 Ų216160.8 Ų160.882%0.81582%0.822SS**  83.897.271.7-84.7-165.2176.7173.7-1.1115
4I49.7Very low42.7Very low148 Ų148156.6 Ų156.676%0.75981%0.814SS**  62.4175.5128.9-13.6-179.5000118.7
5P51.1Low42.8Very low91 Ų91156.7 Ų156.759%0.59182%0.816SS**  -122.9-179.5-103.641.1-23.6000112.7
6I45.3Very low43.3Very low169 Ų169153.6 Ų153.687%0.86781%0.812SS**  trans-121.597.2148.5-60178.9000108.3
7K40.8Very low43.5Very low190 Ų190151.5 Ų151.583%0.82681%0.809SS**  trans-81.1128.8152.7-69.9-175.3176.5-172.80107.2
8R41.1Very low43.7Very low236 Ų236155.1 Ų155.189%0.89182%0.816SS**  trans-149.888.3148.9-136174.8174.7179.1-2.5106.1
9A42.1Very low43.4Very low94 Ų94150.5 Ų150.578%0.77781%0.81SS**  90.312590.400000110.2
10L45.3Very low43.6Very low162 Ų162151.9 Ų151.985%0.84881%0.805SS**  trans-72.5177.4-171.6-67.5158.4000112.7
11I37.1Very low43.7Very low174 Ų174150.3 Ų150.389%0.89280%0.8SS**  trans97.9119.3159.3-49.5149.7000111.5
12G35.3Very low43.5Very low58 Ų58147.8 Ų147.860%0.59878%0.778SS**  cis169.7-169.89.700000108.6
13L42.7Very low44.1Very low161 Ų161146.2 Ų146.284%0.84378%0.775SS**  trans85.478.7172.5-61.4124.2000116.1
14S48.5Very low44.5Very low101 Ų101141.7 Ų141.771%0.70677%0.771SS**  -15.1123.1128.254.60000114.7
15N42.9Very low44.2Very low158 Ų158137.7 Ų137.785%0.84577%0.767SS**  trans-156.489.9138.2-92.4-26.5000108.6
16S50.9Low44.1Very low107 Ų107139.9 Ų139.975%0.74878%0.779SS**  trans-63.3130.4163.7-169.90000108.1K18S16-K18 PolarHBondContact O-N 2.86Å
17P48.1Very low44.3Very low119 Ų119136.8 Ų136.877%0.77378%0.778SS**  trans-63.6108.6175.124.4-29.9000108.7G19P17-G19 PolarHBondContact O-N 3.01Å
18K47.2Very low44.9Very low216 Ų216130.8 Ų130.894%0.93976%0.764SS**  trans-58.1105.8163-76.3-176.4176.7179.30107.5S16S16-K18 PolarHBondContact O-N 2.86Å
19G38Very low45.9Very low68 Ų68124.2 Ų124.270%0.70175%0.754SS**  trans-149.669177.800000110.6P17P17-G19 PolarHBondContact O-N 3.01Å
20Y45.8Very low47.7Very low178 Ų178126 Ų12670%0.69875%0.751SS**  trans5175.3163.3-161-119.2000116.5R22Y20-R22 HydrophobicContact CD1-CG 4.01Å; Y20-R22 HydrophobicContact CE1-CB 4.49Å; Y20-R22 HydrophobicContact CE1-CG 3.31Å; Y20-R22 VanDerWaalsContact CE1-NE 3.34Å; Y20-R22 HydrophobicContact CE2-CG 4.44Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.08Å; Y20-R22 PolarHBondContact OH-NE 3.41Å
21V45.6Very low49.7Very low118 Ų118122.1 Ų122.172%0.71573%0.73SS**  trans-63.4105.4153.51760000106.9T23V21-T23 HydrophobicContact CG1-CG2 3.53Å; V21-T23 PolarHBondContact O-N 3.03Å
22R40.5Very low52.2Low187 Ų187118 Ų11871%0.70671%0.71SS**  trans-69.581.4156.2-94.9-178.8175.1-1663.9107.9Y20 T24Y20-R22 HydrophobicContact CD1-CG 4.01Å; Y20-R22 HydrophobicContact CE1-CB 4.49Å; Y20-R22 HydrophobicContact CE1-CG 3.31Å; Y20-R22 VanDerWaalsContact CE1-NE 3.34Å; Y20-R22 HydrophobicContact CE2-CG 4.44Å; Y20-R22 PolarHBondContact O-N 2.98Å; Y20-R22 VanDerWaalsContact O-N 3.08Å; Y20-R22 PolarHBondContact OH-NE 3.41Å; R22-T24 PolarHBondContact O-N 3.29Å
23T49.7Very low54.8Low120 Ų120120.3 Ų120.374%0.73670%0.704SS**  trans-76.787.5148.941.50000106.4V21V21-T23 HydrophobicContact CG1-CG2 3.53Å; V21-T23 PolarHBondContact O-N 3.03Å
24T46.4Very low57.1Low121 Ų121114.7 Ų114.774%0.74268%0.677SS**  trans-99.689.3145.153.90000103.6R22R22-T24 PolarHBondContact O-N 3.29Å
25G43.3Very low59.2Low64 Ų64116.4 Ų116.466%0.6667%0.672SS**  84.887.685.600000107.8
26T49.8Very low61.6Low137 Ų137109.7 Ų109.784%0.8464%0.636SS**  trans20.5102.5156.1-37.80000117.4A28T26-A28 HydrophobicContact CG2-CB 4.25Å
27A50.4Low63.4Low104 Ų104110.8 Ų110.886%0.8663%0.634SS**  trans-100.881.6153.700000108.1S29A27-S29 PolarHBondContact O-N 2.95Å
28A51.8Low65.2Low64 Ų64108.4 Ų108.453%0.52963%0.631SS.*  trans-59.3109.3164.500000107.6T26 N30T26-A28 HydrophobicContact CG2-CB 4.25Å; A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 2.82Å
29S62.2Low67.3Low98 Ų98103.2 Ų103.269%0.68561%0.61SS**  trans13.860153.863.70000118.5A27 L31A27-S29 PolarHBondContact O-N 2.95Å; S29-L31 PolarHBondContact O-N 3.09Å
30N80.6Confident69.9Low131 Ų131103.6 Ų103.670%0.70160%0.602SS**  trans-81.843.1161.7-71.6-22.3000109.8A28 I32 P45A28-N30 VanDerWaalsContact C-N 3.34Å; A28-N30 PolarHBondContact O-N 2.82Å; N30-I32 PolarHBondContact O-N 2.88Å; N30-P45 HydrophobicContact CB-CG 4.17Å; N30-P45 WeakPolarHBondContact O-CD 3.44Å; N30-P45 WeakPolarHBondContact O-CG 3.3Å
31L86Confident72.1Confident80 Ų8096 Ų9642%0.41957%0.574SS.*PPolyproline II helixtrans-73.2129.1178.2-67.5172.6000108.3S29 M42 V43 E44S29-L31 PolarHBondContact O-N 3.09Å; L31-M42 HydrophobicContact CB-CB 4.29Å; L31-M42 HydrophobicContact CB-CE 3.8Å; L31-M42 HydrophobicContact CD1-CB 4.23Å; L31-V43 WeakPolarHBondContact CA-O 3.06Å; L31-E44 HydrophobicContact CD2-CG 3.9Å
32I90.5Very high74.4Confident89 Ų8994.9 Ų94.946%0.45656%0.562SS.*EExtended strand (participates in β ladder)trans-94.1130.1177.8-58172.7000106.9N30 V34 V43 P45N30-I32 PolarHBondContact O-N 2.88Å; I32-V34 HydrophobicContact CG2-CG1 4.25Å; I32-V43 HydrophobicContact CB-CG2 4.39Å; I32-V43 PolarHBondContact N-O 3.38Å; I32-V43 WeakPolarHBondContact O-CG2 3.18Å; I32-V43 PolarHBondContact O-N 3.28Å; I32-P45 HydrophobicContact CD1-CB 4.05Å; I32-P45 HydrophobicContact CD1-CG 4.04Å; I32-P45 HydrophobicContact CG1-CG 4.26Å
33E90.4Very high76.9Confident105 Ų10586.4 Ų86.449%0.49153%0.531SS..EExtended strand (participates in β ladder)trans-81.4125.4171.7-171.2174.8-162.400109.5F35 S40 M42E33-F35 HydrophobicContact CG-CZ 4.36Å; E33-S40 VanDerWaalsContact OE1-CB 3.25Å; E33-S40 WeakPolarHBondContact OE1-CB 3.38Å; E33-M42 HydrophobicContact CB-SD 3.77Å; E33-M42 HydrophobicContact CG-SD 3.99Å
34V91.3Very high78.9Confident44 Ų4486.8 Ų86.827%0.26753%0.525SS..EExtended strand (participates in β ladder)trans-126150.6173.9-62.20000109.7I32 S40 V41 V43 A52I32-V34 HydrophobicContact CG2-CG1 4.25Å; V34-S40 WeakPolarHBondContact O-CA 3.49Å; V34-V41 HydrophobicContact CG2-CB 4.08Å; V34-V41 PolarHBondContact N-O 3.4Å; V34-V41 PolarHBondContact O-N 3.38Å; V34-V43 HydrophobicContact CG1-CG2 3.9Å; V34-V43 HydrophobicContact CG2-CG1 3.92Å; V34-V43 HydrophobicContact CG2-CG2 3.87Å; V34-A52 HydrophobicContact CG2-CB 4.27Å
35F92.4Very high81.1Confident137 Ų13784.8 Ų84.860%0.60151%0.514SS*.EExtended strand (participates in β ladder)trans-107.1125178-61-86000109.8E33 Q39E33-F35 HydrophobicContact CG-CZ 4.36Å; F35-Q39 WeakPolarHBondContact CA-O 3.44Å
36V92.2Very high83.3Confident16 Ų1685.6 Ų85.610%0.09752%0.522CS..EExtended strand (participates in β ladder)trans-118.2113.8174.8-179.10000107.5G38 Q39 V41 C53 V56V36-G38 PolarHBondContact O-N 3.06Å; V36-G38 VanDerWaalsContact O-N 3.09Å; V36-Q39 PolarHBondContact N-O 3.17Å; V36-Q39 WeakPolarHBondContact O-CB 3.25Å; V36-Q39 PolarHBondContact O-N 3.03Å; V36-V41 HydrophobicContact CG2-CG2 4.37Å; V36-C53 HydrophobicContact CG1-CB 4.34Å; V36-V56 HydrophobicContact CB-CG2 4.1Å; V36-V56 HydrophobicContact CG1-CG2 4.44Å; V36-V56 HydrophobicContact CG2-CG2 4.33Å
37D88.6Confident85.2Confident131 Ų13181 Ų8170%0.70149%0.494SS*.THydrogen-bonded Turntrans49.336.7-177.9-58.2-33.1000113.7Q39D37-Q39 VanDerWaalsContact C-N 3.35Å
38G87.3Confident87.3Confident69 Ų6978.2 Ų78.271%0.71147%0.466SS*.THydrogen-bonded Turntrans83.6-2.6-177.800000115.7V36V36-G38 PolarHBondContact O-N 3.06Å; V36-G38 VanDerWaalsContact O-N 3.09Å
39Q90.8Very high89.2Confident106 Ų10679 Ų7950%0.49546%0.464SS..EExtended strand (participates in β ladder)trans-92.9128.1174.2-59.2-175.346.600110.5F35 V36 D37 V56F35-Q39 WeakPolarHBondContact CA-O 3.44Å; V36-Q39 PolarHBondContact N-O 3.17Å; V36-Q39 WeakPolarHBondContact O-CB 3.25Å; V36-Q39 PolarHBondContact O-N 3.03Å; D37-Q39 VanDerWaalsContact C-N 3.35Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 VanDerWaalsContact CD-CG1 3.46Å; Q39-V56 HydrophobicContact CG-CG1 4.33Å
40S91.6Very high90.7Very high76 Ų7675 Ų7553%0.53144%0.435SS..EExtended strand (participates in β ladder)trans-79.4136.1175.858.70000111.5E33 V34E33-S40 VanDerWaalsContact OE1-CB 3.25Å; E33-S40 WeakPolarHBondContact OE1-CB 3.38Å; V34-S40 WeakPolarHBondContact O-CA 3.49Å
41V93.1Very high91.2Very high18 Ų1871.9 Ų71.911%0.10942%0.417CS..EExtended strand (participates in β ladder)trans-134.4131.6-178.4-173.40000109.1V34 V36 V43 K55 V56V34-V41 HydrophobicContact CG2-CB 4.08Å; V34-V41 PolarHBondContact N-O 3.4Å; V34-V41 PolarHBondContact O-N 3.38Å; V36-V41 HydrophobicContact CG2-CG2 4.37Å; V41-V43 HydrophobicContact CB-CG1 4.47Å; V41-V43 HydrophobicContact CG1-CG1 3.77Å; V41-K55 HydrophobicContact CG1-CB 4.13Å; V41-K55 HydrophobicContact CG1-CD 4.14Å; V41-V56 HydrophobicContact CB-CG2 4.45Å; V41-V56 HydrophobicContact CG2-CG2 3.11Å
42M93Very high91.6Very high95 Ų9568.4 Ų68.447%0.46840%0.399SS..EExtended strand (participates in β ladder)trans-88.3115.4172.3-58.1-56.8-78.900109.4L31 E33L31-M42 HydrophobicContact CB-CB 4.29Å; L31-M42 HydrophobicContact CB-CE 3.8Å; L31-M42 HydrophobicContact CD1-CB 4.23Å; E33-M42 HydrophobicContact CB-SD 3.77Å; E33-M42 HydrophobicContact CG-SD 3.99Å
43V93.3Very high91.7Very high9 Ų964.8 Ų64.86%0.05538%0.381CS..EExtended strand (participates in β ladder)trans-118.6151.1-179.5-61.90000111.9L31 I32 V34 V41 T47 A52 K55L31-V43 WeakPolarHBondContact CA-O 3.06Å; I32-V43 HydrophobicContact CB-CG2 4.39Å; I32-V43 PolarHBondContact N-O 3.38Å; I32-V43 WeakPolarHBondContact O-CG2 3.18Å; I32-V43 PolarHBondContact O-N 3.28Å; V34-V43 HydrophobicContact CG1-CG2 3.9Å; V34-V43 HydrophobicContact CG2-CG1 3.92Å; V34-V43 HydrophobicContact CG2-CG2 3.87Å; V41-V43 HydrophobicContact CB-CG1 4.47Å; V41-V43 HydrophobicContact CG1-CG1 3.77Å; V43-T47 HydrophobicContact CB-CG2 4.4Å; V43-A52 HydrophobicContact CG1-CB 3.84Å; V43-K55 HydrophobicContact CG1-CD 4.34Å
44E92.5Very high91.8Very high128 Ų12861.9 Ų61.960%0.59837%0.368SS*.  trans-74.7145.1174.6-66.3178.1-178.800109.9L31 G46 T47L31-E44 HydrophobicContact CD2-CG 3.9Å; E44-G46 PolarHBondContact O-N 3.23Å; E44-T47 PolarHBondContact N-OG1 2.86Å; E44-T47 VanDerWaalsContact O-CB 3.26Å; E44-T47 WeakPolarHBondContact O-CB 3.44Å; E44-T47 PolarHBondContact O-N 2.92Å; E44-T47 PolarHBondContact O-OG1 3.48Å
45P91.9Very high91.8Very high80 Ų8065.5 Ų65.552%0.51938%0.38SS..THydrogen-bonded Turntrans-57.1129.4174.1-22.533.7000110.6N30 I32N30-P45 HydrophobicContact CB-CG 4.17Å; N30-P45 WeakPolarHBondContact O-CD 3.44Å; N30-P45 WeakPolarHBondContact O-CG 3.3Å; I32-P45 HydrophobicContact CD1-CB 4.05Å; I32-P45 HydrophobicContact CD1-CG 4.04Å; I32-P45 HydrophobicContact CG1-CG 4.26Å
46G89.2Confident91.8Very high81 Ų8160.7 Ų60.784%0.83536%0.362SS*.THydrogen-bonded Turntrans93.6-5.5-17600000114.9E44E44-G46 PolarHBondContact O-N 3.23Å
47T91.3Very high91.8Very high40 Ų4062.7 Ų62.725%0.24539%0.386CS..  trans-62.6135.3169-53.10000109.9V43 E44 Q51V43-T47 HydrophobicContact CB-CG2 4.4Å; E44-T47 PolarHBondContact N-OG1 2.86Å; E44-T47 VanDerWaalsContact O-CB 3.26Å; E44-T47 WeakPolarHBondContact O-CB 3.44Å; E44-T47 PolarHBondContact O-N 2.92Å; E44-T47 PolarHBondContact O-OG1 3.48Å; T47-Q51 HydrophobicContact CG2-CB 3.55Å
48T93.3Very high91.8Very high45 Ų4560.5 Ų60.528%0.27637%0.372SS..  trans-75.5156.7176.163.50000111.5L50 Q51 A52T48-L50 PolarHBondContact O-N 3.27Å; T48-Q51 PolarHBondContact O-N 3.27Å; T48-Q51 VanDerWaalsContact O-N 3.13Å; T48-Q51 VanDerWaalsContact OG1-CD 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.47Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.85Å; T48-A52 PolarHBondContact O-N 2.88Å
49V92.4Very high91.9Very high80 Ų8063.4 Ų63.449%0.48537%0.367SS..Hα-helixtrans-55.9-38.4175.2-178.70000111.4Q51 A52 C53 V80V49-Q51 PolarHBondContact O-N 2.75Å; V49-A52 WeakPolarHBondContact O-CB 3.42Å; V49-A52 PolarHBondContact O-N 3.14Å; V49-C53 PolarHBondContact O-N 3.27Å; V49-C53 PolarHBondContact O-SG 2.8Å; V49-V80 HydrophobicContact CG1-CG2 4.01Å
50L92.8Very high92Very high15 Ų1559.4 Ų59.48%0.07935%0.349CS..Hα-helixtrans-60-45.7178.4-167.1146.8000111.9T48 C53 E54 R62 Y65 C78T48-L50 PolarHBondContact O-N 3.27Å; L50-C53 PolarHBondContact O-N 2.98Å; L50-E54 HydrophobicContact CD2-CG 4.27Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.35Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 2.9Å; L50-R62 HydrophobicContact CD1-CB 4.3Å; L50-Y65 HydrophobicContact CD1-CD1 4.2Å; L50-Y65 HydrophobicContact CD1-CG 4.43Å; L50-Y65 HydrophobicContact CD2-CD1 4.04Å; L50-Y65 HydrophobicContact CD2-CE1 3.75Å; L50-C78 HydrophobicContact CD1-CB 4.29Å
51Q92.5Very high92Very high66 Ų6657.5 Ų57.531%0.30834%0.335SS..Hα-helixtrans-69.4-34.5177.5-70.6163.8-3300112.4T47 T48 V49 E54 K55 Y65T47-Q51 HydrophobicContact CG2-CB 3.55Å; T48-Q51 PolarHBondContact O-N 3.27Å; T48-Q51 VanDerWaalsContact O-N 3.13Å; T48-Q51 VanDerWaalsContact OG1-CD 3.31Å; T48-Q51 WeakPolarHBondContact OG1-CG 3.47Å; T48-Q51 PolarHBondContact OG1-N 3.48Å; T48-Q51 PolarHBondContact OG1-OE1 2.85Å; V49-Q51 PolarHBondContact O-N 2.75Å; Q51-E54 PolarHBondContact O-N 3.39Å; Q51-K55 PolarHBondContact O-N 3Å; Q51-Y65 PolarHBondContact NE2-OH 3.45Å
52A93Very high92Very high7 Ų759.8 Ų59.86%0.05834%0.342CS..Hα-helixtrans-62.5-43.5174.500000111.3V34 V43 T48 V49 K55V34-A52 HydrophobicContact CG2-CB 4.27Å; V43-A52 HydrophobicContact CG1-CB 3.84Å; T48-A52 PolarHBondContact O-N 2.88Å; V49-A52 WeakPolarHBondContact O-CB 3.42Å; V49-A52 PolarHBondContact O-N 3.14Å; A52-K55 PolarHBondContact O-N 3.39Å
53C93.1Very high92Very high12 Ų1260.1 Ų60.18%0.08134%0.341CS..Hα-helixtrans-66-39.8175.6-64.40000112.5V36 V49 L50 K55 V56 G57 M58 I60V36-C53 HydrophobicContact CG1-CB 4.34Å; V49-C53 PolarHBondContact O-N 3.27Å; V49-C53 PolarHBondContact O-SG 2.8Å; L50-C53 PolarHBondContact O-N 2.98Å; C53-K55 PolarHBondContact O-N 3.03Å; C53-V56 PolarHBondContact O-N 3.43Å; C53-G57 PolarHBondContact O-N 2.7Å; C53-M58 CarbonylContact C-O 3.25Å; C53-M58 VanDerWaalsContact C-O 3.25Å; C53-M58 HydrophobicContact CB-CB 4.16Å; C53-M58 PolarHBondContact O-N 3.04Å; C53-I60 HydrophobicContact CB-CD1 3.8Å; C53-I60 HydrophobicContact CB-CG1 4.3Å
54E92.4Very high92.1Very high45 Ų4559.9 Ų59.921%0.2134%0.34CS..Hα-helixtrans-61-32.4177.4-74.9-177.7165.200112.3L50 Q51 V56 G57 M58 R62L50-E54 HydrophobicContact CD2-CG 4.27Å; L50-E54 WeakPolarHBondContact CD2-OE1 3.35Å; L50-E54 WeakPolarHBondContact O-CG 3.39Å; L50-E54 PolarHBondContact O-N 2.9Å; Q51-E54 PolarHBondContact O-N 3.39Å; E54-V56 PolarHBondContact O-N 3.13Å; E54-G57 PolarHBondContact O-N 3.39Å; E54-M58 PolarHBondContact N-O 3.22Å; E54-R62 IonicContact OE1-CZ 3.75Å; E54-R62 IonicContact OE1-NE 3.83Å; E54-R62 IonicContact OE1-NH2 2.9Å; E54-R62 PolarHBondContact OE1-NH2 3.3Å
55K91.3Very high92.2Very high120 Ų12054.6 Ų54.652%0.52231%0.314SS..Hα-helixtrans-63.6-25.1174.8-72.6-175.6178.1-166.90113.7V41 V43 Q51 A52 C53 G57V41-K55 HydrophobicContact CG1-CB 4.13Å; V41-K55 HydrophobicContact CG1-CD 4.14Å; V43-K55 HydrophobicContact CG1-CD 4.34Å; Q51-K55 PolarHBondContact O-N 3Å; A52-K55 PolarHBondContact O-N 3.39Å; C53-K55 PolarHBondContact O-N 3.03Å; K55-G57 VanDerWaalsContact C-N 3.31Å
56V93.3Very high92.3Very high35 Ų3553.7 Ų53.721%0.21230%0.303CS..THydrogen-bonded Turntrans-89.6-3.1175.9-168.20000111.4V36 Q39 V41 C53 E54 M58V36-V56 HydrophobicContact CB-CG2 4.1Å; V36-V56 HydrophobicContact CG1-CG2 4.44Å; V36-V56 HydrophobicContact CG2-CG2 4.33Å; Q39-V56 HydrophobicContact CB-CG1 4.12Å; Q39-V56 VanDerWaalsContact CD-CG1 3.46Å; Q39-V56 HydrophobicContact CG-CG1 4.33Å; V41-V56 HydrophobicContact CB-CG2 4.45Å; V41-V56 HydrophobicContact CG2-CG2 3.11Å; C53-V56 PolarHBondContact O-N 3.43Å; E54-V56 PolarHBondContact O-N 3.13Å; V56-M58 VanDerWaalsContact C-N 3.34Å
57G90.3Very high92.4Very high58 Ų5855.5 Ų55.560%0.59829%0.29SS*.THydrogen-bonded Turntrans82.410-173.100000113.9C53 E54 K55C53-G57 PolarHBondContact O-N 2.7Å; E54-G57 PolarHBondContact O-N 3.39Å; K55-G57 VanDerWaalsContact C-N 3.31Å
58M89.5Confident92.5Very high85 Ų8564 Ų6442%0.41932%0.317SS..  trans-88.8113.5175.1-73.1-63-172.100110.8C53 E54 V56C53-M58 CarbonylContact C-O 3.25Å; C53-M58 VanDerWaalsContact C-O 3.25Å; C53-M58 HydrophobicContact CB-CB 4.16Å; C53-M58 PolarHBondContact O-N 3.04Å; E54-M58 PolarHBondContact N-O 3.22Å; V56-M58 VanDerWaalsContact C-N 3.34Å
59Q90.5Very high92.6Very high130 Ų13063 Ų6361%0.60731%0.31SS*.  trans-95.5105.9179.8-74.1-72.6-30.800110.8
60I92.1Very high92.6Very high22 Ų2261.3 Ų61.311%0.11330%0.302CS..  trans-81.1129.7175.5-61.9168.8000109.4C53 C78 V80C53-I60 HydrophobicContact CB-CD1 3.8Å; C53-I60 HydrophobicContact CB-CG1 4.3Å; I60-C78 HydrophobicContact CG2-CB 3.63Å; I60-V80 HydrophobicContact CD1-CG1 3.72Å; I60-V80 HydrophobicContact CG1-CG1 4.43Å
61P92.1Very high92.6Very high37 Ų3765.8 Ų65.824%0.2433%0.329CS..  trans-69.1139.7-179.725.7-30.4000112.1M77 F93P61-M77 HydrophobicContact CB-CE 4.24Å; P61-M77 HydrophobicContact CB-CG 4.12Å; P61-M77 HydrophobicContact CG-CE 4.11Å; P61-M77 HydrophobicContact CG-CG 4.25Å; P61-M77 CarbonylContact O-C 3.48Å; P61-F93 HydrophobicContact CB-CE1 4.37Å; P61-F93 HydrophobicContact CG-CD1 3.28Å; P61-F93 HydrophobicContact CG-CD2 4.43Å; P61-F93 HydrophobicContact CG-CE1 2.89Å; P61-F93 HydrophobicContact CG-CE2 4.1Å; P61-F93 HydrophobicContact CG-CG 4.07Å; P61-F93 HydrophobicContact CG-CZ 3.34Å
62R91.5Very high92.6Very high65 Ų6563.6 Ų63.625%0.24532%0.323CS..  trans-145.7134.2-169.244.2170163.6129.8-19111L50 E54 Y65 E67L50-R62 HydrophobicContact CD1-CB 4.3Å; E54-R62 IonicContact OE1-CZ 3.75Å; E54-R62 IonicContact OE1-NE 3.83Å; E54-R62 IonicContact OE1-NH2 2.9Å; E54-R62 PolarHBondContact OE1-NH2 3.3Å; R62-Y65 VanDerWaalsContact CD-CD1 3.49Å; R62-E67 IonicContact CZ-OE1 3.59Å; R62-E67 IonicContact NH1-OE1 3.48Å; R62-E67 PolarHBondContact NH1-OE1 3.48Å; R62-E67 IonicContact NH2-OE1 2.82Å; R62-E67 PolarHBondContact NH2-OE1 2.82Å
63F94.2Very high92.5Very high103 Ų10365.4 Ų65.445%0.45234%0.342SS..SBendtrans-108.8-42.7172.1-69-65.1000113.8C75 M77 I124 R128F63-C75 HydrophobicContact CB-CB 3.86Å; F63-C75 HydrophobicContact CD2-CB 4.37Å; F63-M77 HydrophobicContact CD2-CB 3.83Å; F63-M77 HydrophobicContact CD2-CG 3.92Å; F63-M77 HydrophobicContact CD2-SD 4.5Å; F63-M77 HydrophobicContact CE2-CB 4.21Å; F63-M77 HydrophobicContact CE2-CE 4.5Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 3.93Å; F63-I124 HydrophobicContact CB-CD1 3.67Å; F63-I124 HydrophobicContact CD1-CD1 3.79Å; F63-I124 HydrophobicContact CD2-CD1 4.21Å; F63-I124 HydrophobicContact CE1-CD1 4.48Å; F63-I124 HydrophobicContact CG-CD1 3.64Å; F63-R128 PolarHBondContact O-NE 3.22Å; F63-R128 PolarHBondContact O-NH2 3.06Å
64C94.6Very high92.5Very high4 Ų469.3 Ų69.33%0.02736%0.362CS..SBendtrans-87.1-36.8-177.957.50000112.3A72 C75 C126 R131C64-A72 HydrophobicContact CB-CB 4.45Å; C64-A72 PolarHBondContact SG-O 3.23Å; C64-C75 HydrophobicContact CB-CB 4.32Å; C64-C75 PolarHBondContact SG-SG 2.91Å; C64-C126 HydrophobicContact CB-CB 4.06Å; C64-C126 WeakPolarHBondContact CB-O 3.26Å; C64-R131 PolarHBondContact O-NH2 3.07Å
65Y94.9Very high92.5Very high17 Ų1768.9 Ų68.97%0.06736%0.363CS..  trans-66.7138.8-177.5-179.4-95000112.7L50 Q51 R62 E67 V71 R128L50-Y65 HydrophobicContact CD1-CD1 4.2Å; L50-Y65 HydrophobicContact CD1-CG 4.43Å; L50-Y65 HydrophobicContact CD2-CD1 4.04Å; L50-Y65 HydrophobicContact CD2-CE1 3.75Å; Q51-Y65 PolarHBondContact NE2-OH 3.45Å; R62-Y65 VanDerWaalsContact CD-CD1 3.49Å; Y65-E67 HydrophobicContact CE1-CG 4.01Å; Y65-V71 HydrophobicContact CD2-CG2 4.39Å; Y65-V71 HydrophobicContact CE2-CG2 4.11Å; Y65-R128 PolarHBondContact O-NH2 3.49Å
66H94.5Very high92.5Very high61 Ų6171 Ų7128%0.28237%0.368SS..  trans-148.1134.5172.3-176.7-84.4000107.6R68 L69H66-R68 PolarHBondContact ND1-N 2.86Å; H66-R68 PolarHBondContact O-N 2.73Å; H66-R68 VanDerWaalsContact O-N 3.17Å; H66-L69 HydrophobicContact CB-CB 4.23Å; H66-L69 HydrophobicContact CB-CD1 4.06Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 PolarHBondContact O-N 3.25Å; H66-L69 VanDerWaalsContact O-N 3.1Å; H66-L69 VanDerWaalsContact O-O 3.05Å
67E91.6Very high92.4Very high119 Ų11972.2 Ų72.256%0.55637%0.372SS*.THydrogen-bonded Turntrans-60.8-30.1-170-70.3145.2-132.700114.1R62 Y65R62-E67 IonicContact CZ-OE1 3.59Å; R62-E67 IonicContact NH1-OE1 3.48Å; R62-E67 PolarHBondContact NH1-OE1 3.48Å; R62-E67 IonicContact NH2-OE1 2.82Å; R62-E67 PolarHBondContact NH2-OE1 2.82Å; Y65-E67 HydrophobicContact CE1-CG 4.01Å
68R93.5Very high92.4Very high219 Ų21971.9 Ų71.983%0.82636%0.36SS*.THydrogen-bonded Turntrans-95.71.3-179.6-51.4-173.8-159.1141.14.4114.9H66H66-R68 PolarHBondContact ND1-N 2.86Å; H66-R68 PolarHBondContact O-N 2.73Å; H66-R68 VanDerWaalsContact O-N 3.17Å
69L94.3Very high92.4Very high22 Ų2272.2 Ų72.212%0.11536%0.363CS..SBendtrans-117.8162.3178.7-64.3173.4000108.9H66 R128 F132H66-L69 HydrophobicContact CB-CB 4.23Å; H66-L69 HydrophobicContact CB-CD1 4.06Å; H66-L69 HydrophobicContact CB-CG 4.31Å; H66-L69 PolarHBondContact O-N 3.25Å; H66-L69 VanDerWaalsContact O-N 3.1Å; H66-L69 VanDerWaalsContact O-O 3.05Å; L69-R128 HydrophobicContact CD1-CG 3.8Å; L69-F132 HydrophobicContact CD1-CB 4.06Å; L69-F132 HydrophobicContact CD1-CD2 4.48Å; L69-F132 HydrophobicContact CD2-CB 4.24Å; L69-F132 HydrophobicContact CD2-CD2 4.2Å
70S93.4Very high92.3Very high45 Ų4569.3 Ų69.332%0.31535%0.354SS..  trans-52.2156.4173.158.80000113.6R131 E135S70-R131 PolarHBondContact O-NH1 2.98Å; S70-R131 WeakPolarHBondContact OG-CD 3.12Å; S70-R131 PolarHBondContact OG-NH1 2.84Å; S70-R131 VanDerWaalsContact OG-NH1 3.16Å; S70-E135 WeakPolarHBondContact CB-OE1 3.34Å; S70-E135 PolarHBondContact N-OE2 3.03Å; S70-E135 PolarHBondContact OG-OE1 3.1Å
71V92.3Very high92.1Very high109 Ų10973.8 Ų73.866%0.66137%0.374SS*.  trans-78.9131.4176.2-176.80000109.5Y65Y65-V71 HydrophobicContact CD2-CG2 4.39Å; Y65-V71 HydrophobicContact CE2-CG2 4.11Å
72A92.6Very high91.8Very high21 Ų2176.8 Ų76.817%0.17439%0.387CS..  trans-131.3149177.700000111.3C64C64-A72 HydrophobicContact CB-CB 4.45Å; C64-A72 PolarHBondContact SG-O 3.23Å
73G91.1Very high91.4Very high44 Ų4482.6 Ų82.645%0.45442%0.417SS..  trans-110.223.5-174.900000115.6R76G73-R76 WeakPolarHBondContact O-CD 3.01Å; G73-R76 PolarHBondContact O-NE 3.27Å
74N93.4Very high90.8Very high95 Ų9587.3 Ų87.351%0.50844%0.438SS..SBendtrans-78.4-27.9-168.7-68.4-17.6000114.8T127N74-T127 VanDerWaalsContact ND2-CG2 3.32Å; N74-T127 WeakPolarHBondContact ND2-CG2 3.47Å; N74-T127 PolarHBondContact ND2-OG1 2.83Å
75C91.6Very high90.1Very high35 Ų3589.2 Ų89.224%0.23645%0.454CS..SBendtrans-99.9-20.5-171.978.60000115.7F63 C64 M77F63-C75 HydrophobicContact CB-CB 3.86Å; F63-C75 HydrophobicContact CD2-CB 4.37Å; C64-C75 HydrophobicContact CB-CB 4.32Å; C64-C75 PolarHBondContact SG-SG 2.91Å; C75-M77 PolarHBondContact O-N 3.31Å
76R91.4Very high89.1Confident166 Ų16694 Ų9463%0.62649%0.487SS*.  trans49.121.9-178.8-52.2-56.5-177.1117.21.9116.1G73 C78 L79G73-R76 WeakPolarHBondContact O-CD 3.01Å; G73-R76 PolarHBondContact O-NE 3.27Å; R76-C78 VanDerWaalsContact C-N 3.31Å; R76-C78 PolarHBondContact O-N 2.95Å; R76-L79 HydrophobicContact CB-CD1 4.03Å; R76-L79 HydrophobicContact CB-CG 4.25Å; R76-L79 WeakPolarHBondContact O-CD1 3.29Å; R76-L79 VanDerWaalsContact O-CG 3.29Å; R76-L79 WeakPolarHBondContact O-CG 3.46Å
77M90.3Very high87.4Confident60 Ų6098.8 Ų98.830%0.29651%0.507SS..THydrogen-bonded Turntrans-74-24.4178.9-167.965.5-176.400112.9P61 F63 C75 L79 F93P61-M77 HydrophobicContact CB-CE 4.24Å; P61-M77 HydrophobicContact CB-CG 4.12Å; P61-M77 HydrophobicContact CG-CE 4.11Å; P61-M77 HydrophobicContact CG-CG 4.25Å; P61-M77 CarbonylContact O-C 3.48Å; F63-M77 HydrophobicContact CD2-CB 3.83Å; F63-M77 HydrophobicContact CD2-CG 3.92Å; F63-M77 HydrophobicContact CD2-SD 4.5Å; F63-M77 HydrophobicContact CE2-CB 4.21Å; F63-M77 HydrophobicContact CE2-CE 4.5Å; F63-M77 HydrophobicContact CE2-CG 3.81Å; F63-M77 HydrophobicContact CE2-SD 3.93Å; C75-M77 PolarHBondContact O-N 3.31Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.48Å; M77-F93 HydrophobicContact CE-CB 4.42Å; M77-F93 HydrophobicContact CE-CD1 3.9Å
78C91.1Very high86Confident51 Ų5198.5 Ų98.535%0.34551%0.509SS..THydrogen-bonded Turntrans-93.824.8-177.464.60000113.3L50 I60 R76L50-C78 HydrophobicContact CD1-CB 4.29Å; I60-C78 HydrophobicContact CG2-CB 3.63Å; R76-C78 VanDerWaalsContact C-N 3.31Å; R76-C78 PolarHBondContact O-N 2.95Å
79L89.4Confident84.1Confident91 Ų9197.8 Ų97.848%0.47652%0.515SS..  trans-66.2133.6175.5-72.1172.1000109.5R76 M77R76-L79 HydrophobicContact CB-CD1 4.03Å; R76-L79 HydrophobicContact CB-CG 4.25Å; R76-L79 WeakPolarHBondContact O-CD1 3.29Å; R76-L79 VanDerWaalsContact O-CG 3.29Å; R76-L79 WeakPolarHBondContact O-CG 3.46Å; M77-L79 VanDerWaalsContact C-N 3.32Å; M77-L79 PolarHBondContact O-N 3.48Å
80V88.1Confident82.1Confident69 Ų69100.4 Ų100.442%0.41854%0.535SS..  trans-133148.9179.7-64.60000109.6V49 I60V49-V80 HydrophobicContact CG1-CG2 4.01Å; I60-V80 HydrophobicContact CD1-CG1 3.72Å; I60-V80 HydrophobicContact CG1-CG1 4.43Å
81E87.4Confident80Confident116 Ų116106.7 Ų106.754%0.54256%0.562SS.*  trans-80140.1173-171.2179.1169.100109.6K87E81-K87 WeakPolarHBondContact OE1-CD 3.44Å; E81-K87 WeakPolarHBondContact OE1-CE 3.1Å; E81-K87 VanDerWaalsContact OE1-CG 3.3Å; E81-K87 WeakPolarHBondContact OE1-CG 3.35Å; E81-K87 IonicContact OE1-NZ 3.17Å; E81-K87 PolarHBondContact OE1-NZ 3.2Å; E81-K87 VanDerWaalsContact OE1-NZ 3.17Å
82I87.8Confident78.4Confident100 Ų100108.8 Ų108.851%0.51357%0.566SS.*  trans-120.4134.1172.9-59.8174.3000106.2K84 A85I82-K84 PolarHBondContact O-N 3.08Å; I82-A85 HydrophobicContact CB-CB 4.03Å; I82-A85 PolarHBondContact O-N 3.01Å
83E83Confident77.1Confident187 Ų187113.3 Ų113.387%0.87458%0.582SS**THydrogen-bonded Turntrans-55.5-8.3-168.1-65.4-175.3154.900116.4
84K81.1Confident76.4Confident203 Ų203114.5 Ų114.588%0.88360%0.595SS**THydrogen-bonded Turntrans-130.67.8177.7-63.1-179.9-178.5173.40113.9I82I82-K84 PolarHBondContact O-N 3.08Å
85A79.6Confident76.1Confident44 Ų44114.4 Ų114.436%0.36460%0.601SS.*SBendtrans-91.1154.6172.200000110I82 K87I82-A85 HydrophobicContact CB-CB 4.03Å; I82-A85 PolarHBondContact O-N 3.01Å; A85-K87 PolarHBondContact O-N 2.92Å
86P74.3Confident75.9Confident118 Ų118120 Ų12077%0.76663%0.628SS**  trans-51.6129.8170.6-22.632.4000110D88P86-D88 PolarHBondContact O-N 3.26Å; P86-D88 VanDerWaalsContact O-N 3.14Å
87K59.2Low75.8Confident161 Ų161120.8 Ų120.870%0.763%0.632SS**  trans-72.6106.6-178.5-60.3-164174.5-149.20109.9E81 A85E81-K87 WeakPolarHBondContact OE1-CD 3.44Å; E81-K87 WeakPolarHBondContact OE1-CE 3.1Å; E81-K87 VanDerWaalsContact OE1-CG 3.3Å; E81-K87 WeakPolarHBondContact OE1-CG 3.35Å; E81-K87 IonicContact OE1-NZ 3.17Å; E81-K87 PolarHBondContact OE1-NZ 3.2Å; E81-K87 VanDerWaalsContact OE1-NZ 3.17Å; A85-K87 PolarHBondContact O-N 2.92Å
88D60.9Low75.8Confident113 Ų113122.1 Ų122.160%0.60465%0.647SS**  trans-75.6126.6165.3-75.5-22.2000108.8P86 S90P86-D88 PolarHBondContact O-N 3.26Å; P86-D88 VanDerWaalsContact O-N 3.14Å; D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.17Å
89Q54.8Low75.8Confident204 Ų204130.3 Ų130.395%0.95367%0.67SS**  trans-72.583.1173.3-67.9-172.4-9.400109.6
90S51.4Low76Confident76 Ų76130.9 Ų130.953%0.53167%0.669SS.*  trans-139.798.3167650000110.1D88D88-S90 VanDerWaalsContact C-N 3.27Å; D88-S90 PolarHBondContact O-N 3.17Å
91M49.2Very low76.3Confident178 Ų178135.6 Ų135.688%0.87769%0.691SS**  trans-91.6117.6172.3-60-160.393.600110.5F93M91-F93 PolarHBondContact O-N 3.27Å
92M58.7Low76.7Confident152 Ų152137.1 Ų137.175%0.74970%0.698SS**SBendtrans65.436.7140.2-64.2-68.8128.700120.6
93F66.5Low77Confident117 Ų117135.8 Ų135.851%0.51371%0.71SS.*SBendtrans80.9155.7172-41.9-54.4000115.1P61 M77 M91P61-F93 HydrophobicContact CB-CE1 4.37Å; P61-F93 HydrophobicContact CG-CD1 3.28Å; P61-F93 HydrophobicContact CG-CD2 4.43Å; P61-F93 HydrophobicContact CG-CE1 2.89Å; P61-F93 HydrophobicContact CG-CE2 4.1Å; P61-F93 HydrophobicContact CG-CG 4.07Å; P61-F93 HydrophobicContact CG-CZ 3.34Å; M77-F93 HydrophobicContact CE-CB 4.42Å; M77-F93 HydrophobicContact CE-CD1 3.9Å; M91-F93 PolarHBondContact O-N 3.27Å
94G75.6Confident77.6Confident69 Ų69134.4 Ų134.471%0.71170%0.7SS**  trans-51.1154.9-151.600000116.9
95S85.9Confident78.3Confident92 Ų92130.9 Ų130.964%0.64368%0.682SS**  trans-60.4144.4178.8590000112.4R97S95-R97 PolarHBondContact O-N 3.1Å; S95-R97 PolarHBondContact OG-O 2.74Å
96D89.3Confident79.1Confident152 Ų152132.9 Ų132.981%0.81370%0.698SS**SBendtrans-58.8-30176.665.1-37.7000113.4
97R88.4Confident80.1Confident184 Ų184129.3 Ų129.369%0.69467%0.674SS**SBendtrans-121.7145.4179.260.7-167.7155.2172.4-3.1112.3S95S95-R97 PolarHBondContact O-N 3.1Å; S95-R97 PolarHBondContact OG-O 2.74Å
98S89.6Confident81.8Confident87 Ų87129.7 Ų129.761%0.60868%0.678SS**  trans-81.8137.5169.5-1660000110F100S98-F100 PolarHBondContact OG-N 2.61Å
99R91.9Very high83.4Confident224 Ų224128.7 Ų128.785%0.84567%0.673SS**  trans-92.7-2.1169.2-62.9-176.8-68.1130.8-2.1112.5L101R99-L101 PolarHBondContact O-N 3.45Å
100F93.7Very high85.3Confident103 Ų103123.4 Ų123.445%0.45265%0.647SS.*  trans-86113.1-174.3-172.6-98.4000110.4S98 E102 K104S98-F100 PolarHBondContact OG-N 2.61Å; F100-E102 HydrophobicContact CE1-CB 4.07Å; F100-E102 WeakPolarHBondContact CE1-O 3.36Å; F100-E102 HydrophobicContact CE2-CB 4.12Å; F100-E102 HydrophobicContact CZ-CB 3.7Å; F100-K104 HydrophobicContact CD1-CG 4.41Å; F100-K104 HydrophobicContact CE1-CG 4.05Å
101L94.8Very high87.3Confident167 Ų167127.1 Ų127.187%0.87466%0.661SS**  trans-104.1-12.2-174.8-60.8176.7000113.7R99R99-L101 PolarHBondContact O-N 3.45Å
102E95.8Very high89.4Confident148 Ų148124.1 Ų124.169%0.69265%0.647SS**SBendtrans-81.4171.2-176.2-63.2175.2-177.100112.6F100 K104F100-E102 HydrophobicContact CE1-CB 4.07Å; F100-E102 WeakPolarHBondContact CE1-O 3.36Å; F100-E102 HydrophobicContact CE2-CB 4.12Å; F100-E102 HydrophobicContact CZ-CB 3.7Å; E102-K104 PolarHBondContact O-N 3.22Å
103G94.4Very high91Very high73 Ų73118.1 Ų118.175%0.75363%0.625SS**PPolyproline II helixtrans-61.4132172.300000111.5
104K95.3Very high92.4Very high157 Ų157119 Ų11968%0.68364%0.642SS**PPolyproline II helixtrans-77.3147.5176.8-61.9-178.9-169-62.80110.1F100 E102 A106F100-K104 HydrophobicContact CD1-CG 4.41Å; F100-K104 HydrophobicContact CE1-CG 4.05Å; E102-K104 PolarHBondContact O-N 3.22Å; K104-A106 PolarHBondContact O-N 3.05Å
105R94.8Very high93.4Very high129 Ų129123.7 Ų123.749%0.48765%0.65SS.*PPolyproline II helixtrans-60138.7169.869.9176.3-178.2757.6110.3V107 C123R105-V107 VanDerWaalsContact NH1-CG2 3.26Å; R105-C123 PolarHBondContact NH2-O 3.15Å
106A95.8Very high93.8Very high86 Ų86123.5 Ų123.571%0.71165%0.645SS**  trans-116.4140.1165.700000108.1K104K104-A106 PolarHBondContact O-N 3.05Å
107V95.6Very high94Very high44 Ų44125 Ų12527%0.26764%0.644SS.*  trans-125.5128.3180177.10000107.3R105 M120 T121R105-V107 VanDerWaalsContact NH1-CG2 3.26Å; V107-M120 HydrophobicContact CB-CB 4.28Å; V107-M120 HydrophobicContact CG1-CB 3.86Å; V107-T121 PolarHBondContact N-OG1 3.14Å; V107-T121 PolarHBondContact O-OG1 2.86Å
108E94.9Very high94.3Very high168 Ų168117.4 Ų117.479%0.78562%0.618SS**  trans-55.6143.9176.2-62.9-178.4168.800111.2K110E108-K110 WeakPolarHBondContact O-CD 3.09Å; E108-K110 WeakPolarHBondContact O-CE 3.41Å; E108-K110 PolarHBondContact O-NZ 3.46Å
109D95.7Very high94.6Very high92 Ų92116.3 Ų116.349%0.49261%0.605SS.*  trans-78.1142.5-178.9-68.5-20.7000110.9I119 M120D109-I119 VanDerWaalsContact OD1-CA 3.23Å; D109-I119 WeakPolarHBondContact OD1-CA 3.41Å; D109-M120 PolarHBondContact OD1-N 3.16Å
110K93.4Very high94.8Very high94 Ų94108.3 Ų108.341%0.40958%0.578SS.*  trans-106.4121.8-175-81.782.6-166.3167.30109.7E108 I112 T118 M120E108-K110 WeakPolarHBondContact O-CD 3.09Å; E108-K110 WeakPolarHBondContact O-CE 3.41Å; E108-K110 PolarHBondContact O-NZ 3.46Å; K110-I112 HydrophobicContact CB-CG2 4.35Å; K110-I112 PolarHBondContact O-N 3.06Å; K110-T118 PolarHBondContact N-OG1 2.87Å; K110-T118 VanDerWaalsContact N-OG1 3.14Å; K110-T118 WeakPolarHBondContact O-CG2 3.23Å; K110-T118 PolarHBondContact O-OG1 2.49Å; K110-M120 HydrophobicContact CB-CG 4.49Å; K110-M120 HydrophobicContact CD-CB 4.41Å; K110-M120 HydrophobicContact CD-CG 3.7Å
111N93.3Very high94.9Very high153 Ų153106.3 Ų106.382%0.81857%0.574SS**  trans-76.4100.1174.3-166.9-15000110.4G113N111-G113 PolarHBondContact OD1-N 2.96Å; N111-G113 VanDerWaalsContact OD1-N 3.1Å
112I93.1Very high94.9Very high115 Ų115108 Ų10859%0.5957%0.569SS**  trans-987.8176.664.9176.6000113K110 V116 T118K110-I112 HydrophobicContact CB-CG2 4.35Å; K110-I112 PolarHBondContact O-N 3.06Å; I112-V116 HydrophobicContact CD1-CB 3.94Å; I112-V116 HydrophobicContact CD1-CG1 3.86Å; I112-V116 HydrophobicContact CG1-CB 4.24Å; I112-T118 HydrophobicContact CD1-CG2 3.34Å; I112-T118 HydrophobicContact CG1-CG2 3.54Å; I112-T118 HydrophobicContact CG2-CG2 4.32Å
113G93.6Very high94.9Very high27 Ų27102.8 Ų102.828%0.27855%0.548SS..  trans129.6176.817800000114N111 L115N111-G113 PolarHBondContact OD1-N 2.96Å; N111-G113 VanDerWaalsContact OD1-N 3.1Å; G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.45Å
114P96.1Very high94.9Very high136 Ų136103.8 Ų103.888%0.88354%0.535SS*.SBendtrans-76.8-17.5-172.529.9-35.2000114.1
115L95.6Very high94.9Very high166 Ų166100.8 Ų100.887%0.86952%0.524SS*.SBendtrans-88.4-35.3-173.2-62.4176.7000113.3G113G113-L115 VanDerWaalsContact C-N 3.34Å; G113-L115 PolarHBondContact O-N 3.45Å
116V94.8Very high95Very high89 Ų8995.7 Ų95.754%0.53951%0.508SS..  trans-115.9101.7-172.7-174.80000109.7I112 T118I112-V116 HydrophobicContact CD1-CB 3.94Å; I112-V116 HydrophobicContact CD1-CG1 3.86Å; I112-V116 HydrophobicContact CG1-CB 4.24Å; V116-T118 PolarHBondContact O-N 3.49Å
117K94.4Very high95Very high183 Ų18393.4 Ų93.480%0.79649%0.485SS*.  trans-69.1112.5170.8-176.5177.2-177.5174.80109.6
118T94.4Very high95Very high25 Ų2595.1 Ų95.115%0.15349%0.487CS..  trans-91.4133.3174.571.10000110.7K110 I112 V116K110-T118 PolarHBondContact N-OG1 2.87Å; K110-T118 VanDerWaalsContact N-OG1 3.14Å; K110-T118 WeakPolarHBondContact O-CG2 3.23Å; K110-T118 PolarHBondContact O-OG1 2.49Å; I112-T118 HydrophobicContact CD1-CG2 3.34Å; I112-T118 HydrophobicContact CG1-CG2 3.54Å; I112-T118 HydrophobicContact CG2-CG2 4.32Å; V116-T118 PolarHBondContact O-N 3.49Å
119I96.1Very high95Very high64 Ų6491.3 Ų91.333%0.32848%0.478SS..  trans-121.593.6163.5-57.3175.6000107.1D109 T121 R122D109-I119 VanDerWaalsContact OD1-CA 3.23Å; D109-I119 WeakPolarHBondContact OD1-CA 3.41Å; I119-T121 VanDerWaalsContact C-N 3.28Å; I119-T121 PolarHBondContact O-N 3.01Å; I119-R122 HydrophobicContact CG2-CG 3.99Å; I119-R122 PolarHBondContact O-N 3.26Å; I119-R122 VanDerWaalsContact O-N 3.15Å
120M94.8Very high95Very high55 Ų5592.1 Ų92.127%0.27148%0.481SS..G310 helixtrans-75.5-19.9-165.4-67.2-61.1-67.900113.1V107 D109 K110 R122 C123V107-M120 HydrophobicContact CB-CB 4.28Å; V107-M120 HydrophobicContact CG1-CB 3.86Å; D109-M120 PolarHBondContact OD1-N 3.16Å; K110-M120 HydrophobicContact CB-CG 4.49Å; K110-M120 HydrophobicContact CD-CB 4.41Å; K110-M120 HydrophobicContact CD-CG 3.7Å; M120-R122 PolarHBondContact O-N 3.3Å; M120-C123 HydrophobicContact CE-CB 4.48Å; M120-C123 WeakPolarHBondContact O-CB 3.32Å; M120-C123 PolarHBondContact O-N 3.41Å
121T95.8Very high95.1Very high62 Ų6288.8 Ų88.838%0.3847%0.466SS..G310 helixtrans-61.4-27.8170.5-62.80000112.3V107 I119V107-T121 PolarHBondContact N-OG1 3.14Å; V107-T121 PolarHBondContact O-OG1 2.86Å; I119-T121 VanDerWaalsContact C-N 3.28Å; I119-T121 PolarHBondContact O-N 3.01Å
122R95.1Very high95.2Very high201 Ų20188.6 Ų88.676%0.75846%0.458SS*.G310 helixtrans-88.5-11.8178.2-61.9-177.9-176.4-170.20.3114I119 M120 I124I119-R122 HydrophobicContact CG2-CG 3.99Å; I119-R122 PolarHBondContact O-N 3.26Å; I119-R122 VanDerWaalsContact O-N 3.15Å; M120-R122 PolarHBondContact O-N 3.3Å; R122-I124 PolarHBondContact O-N 2.8Å
123C95.3Very high95.3Very high39 Ų3987.2 Ų87.226%0.26446%0.464SS..  trans-68.4131.5179.3-1780000110R105 M120 Q125R105-C123 PolarHBondContact NH2-O 3.15Å; M120-C123 HydrophobicContact CE-CB 4.48Å; M120-C123 WeakPolarHBondContact O-CB 3.32Å; M120-C123 PolarHBondContact O-N 3.41Å; C123-Q125 VanDerWaalsContact O-CD 3.31Å; C123-Q125 PolarHBondContact O-NE2 3.35Å; C123-Q125 PolarHBondContact O-OE1 3.35Å; C123-Q125 VanDerWaalsContact O-OE1 3.1Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.35Å
124I95.9Very high95.4Very high94 Ų9490.1 Ų90.148%0.48248%0.48SS..  trans-958.3176.161.3165.1000113.1F63 R122 C126F63-I124 HydrophobicContact CB-CD1 3.67Å; F63-I124 HydrophobicContact CD1-CD1 3.79Å; F63-I124 HydrophobicContact CD2-CD1 4.21Å; F63-I124 HydrophobicContact CE1-CD1 4.48Å; F63-I124 HydrophobicContact CG-CD1 3.64Å; R122-I124 PolarHBondContact O-N 2.8Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 HydrophobicContact CD1-CB 4.04Å; I124-C126 HydrophobicContact CG1-CB 4.06Å; I124-C126 PolarHBondContact O-N 2.81Å
125Q95.1Very high95.3Very high94 Ų9490.2 Ų90.244%0.43947%0.469SS..  trans56.736.1178.6-6368.942.900113.5C123 T127C123-Q125 VanDerWaalsContact O-CD 3.31Å; C123-Q125 PolarHBondContact O-NE2 3.35Å; C123-Q125 PolarHBondContact O-OE1 3.35Å; C123-Q125 VanDerWaalsContact O-OE1 3.1Å; C123-Q125 PolarHBondContact SG-N 3.2Å; C123-Q125 VanDerWaalsContact SG-N 3.35Å; Q125-T127 PolarHBondContact O-N 3.1Å; Q125-T127 VanDerWaalsContact O-N 3.13Å
126C95.7Very high95.3Very high23 Ų2386.5 Ų86.516%0.15545%0.449CS..  trans-72-3.2177.170.90000114.4C64 I124 R128C64-C126 HydrophobicContact CB-CB 4.06Å; C64-C126 WeakPolarHBondContact CB-O 3.26Å; I124-C126 VanDerWaalsContact C-N 3.26Å; I124-C126 HydrophobicContact CD1-CB 4.04Å; I124-C126 HydrophobicContact CG1-CB 4.06Å; I124-C126 PolarHBondContact O-N 2.81Å; C126-R128 PolarHBondContact O-N 2.97Å
127T96.1Very high95.3Very high38 Ų3886.3 Ų86.323%0.23344%0.444CS..  trans54.413.3-177.171.60000116.1N74 Q125 C129 I130 R131N74-T127 VanDerWaalsContact ND2-CG2 3.32Å; N74-T127 WeakPolarHBondContact ND2-CG2 3.47Å; N74-T127 PolarHBondContact ND2-OG1 2.83Å; Q125-T127 PolarHBondContact O-N 3.1Å; Q125-T127 VanDerWaalsContact O-N 3.13Å; T127-C129 VanDerWaalsContact C-N 3.34Å; T127-C129 PolarHBondContact O-N 3.19Å; T127-I130 HydrophobicContact CG2-CD1 4.21Å; T127-I130 PolarHBondContact O-N 2.91Å; T127-R131 PolarHBondContact O-N 3.13Å; T127-R131 VanDerWaalsContact O-N 3.14Å
128R95.8Very high95.3Very high80 Ų8080.9 Ų80.930%0.30242%0.424SS..Hα-helixtrans-60.5-41.9177.9-172.1-173.5-75174.4-7.1112.1F63 Y65 L69 C126 I130 R131 F132F63-R128 PolarHBondContact O-NE 3.22Å; F63-R128 PolarHBondContact O-NH2 3.06Å; Y65-R128 PolarHBondContact O-NH2 3.49Å; L69-R128 HydrophobicContact CD1-CG 3.8Å; C126-R128 PolarHBondContact O-N 2.97Å; R128-I130 VanDerWaalsContact C-N 3.35Å; R128-I130 PolarHBondContact O-N 3.48Å; R128-R131 PolarHBondContact O-N 3.43Å; R128-F132 WeakPolarHBondContact O-CB 3.48Å; R128-F132 PolarHBondContact O-N 3.27Å
129C95.4Very high95.4Very high87 Ų8784.2 Ų84.259%0.58844%0.44SS*.Hα-helixtrans-64.2-37.6177.953.60000113T127 A133T127-C129 VanDerWaalsContact C-N 3.34Å; T127-C129 PolarHBondContact O-N 3.19Å; C129-A133 WeakPolarHBondContact O-CB 3.43Å; C129-A133 PolarHBondContact O-N 3.08Å
130I95.4Very high95.3Very high110 Ų11085.5 Ų85.556%0.56445%0.447SS*.Hα-helixtrans-67-45.6179.6-60.5168.8000109.6T127 R128 A133 S134T127-I130 HydrophobicContact CG2-CD1 4.21Å; T127-I130 PolarHBondContact O-N 2.91Å; R128-I130 VanDerWaalsContact C-N 3.35Å; R128-I130 PolarHBondContact O-N 3.48Å; I130-A133 PolarHBondContact O-N 3.14Å; I130-A133 VanDerWaalsContact O-N 3.15Å; I130-S134 PolarHBondContact O-N 2.73Å; I130-S134 VanDerWaalsContact O-N 3.08Å; I130-S134 PolarHBondContact O-OG 3.34Å
131R95.8Very high95.4Very high24 Ų2487.5 Ų87.59%0.09146%0.459CS..Hα-helixtrans-66.2-40178.8-66.4-179.2-58.6106.3-8.8112.2C64 S70 T127 R128 A133 S134 E135C64-R131 PolarHBondContact O-NH2 3.07Å; S70-R131 PolarHBondContact O-NH1 2.98Å; S70-R131 WeakPolarHBondContact OG-CD 3.12Å; S70-R131 PolarHBondContact OG-NH1 2.84Å; S70-R131 VanDerWaalsContact OG-NH1 3.16Å; T127-R131 PolarHBondContact O-N 3.13Å; T127-R131 VanDerWaalsContact O-N 3.14Å; R128-R131 PolarHBondContact O-N 3.43Å; R131-A133 PolarHBondContact O-N 2.68Å; R131-S134 WeakPolarHBondContact CA-OG 3.42Å; R131-S134 PolarHBondContact O-N 2.92Å; R131-S134 PolarHBondContact O-OG 3.15Å; R131-S134 VanDerWaalsContact O-OG 3.07Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 PolarHBondContact O-N 2.98Å
132F96.1Very high95.4Very high148 Ų14889.4 Ų89.465%0.64947%0.465SS*.Hα-helixtrans-61.5-31.3172.8-178.8-93.9000113.3L69 R128L69-F132 HydrophobicContact CD1-CB 4.06Å; L69-F132 HydrophobicContact CD1-CD2 4.48Å; L69-F132 HydrophobicContact CD2-CB 4.24Å; L69-F132 HydrophobicContact CD2-CD2 4.2Å; R128-F132 WeakPolarHBondContact O-CB 3.48Å; R128-F132 PolarHBondContact O-N 3.27Å
133A94.8Very high95.4Very high87 Ų8780.8 Ų80.872%0.71944%0.442SS*.Hα-helixtrans-82.3-21.1177.600000113.2C129 I130 R131C129-A133 WeakPolarHBondContact O-CB 3.43Å; C129-A133 PolarHBondContact O-N 3.08Å; I130-A133 PolarHBondContact O-N 3.14Å; I130-A133 VanDerWaalsContact O-N 3.15Å; R131-A133 PolarHBondContact O-N 2.68Å
134S95.3Very high95.4Very high88 Ų8884.3 Ų84.362%0.61546%0.457SS*.Hα-helixtrans-97.6-30.6-175.962.70000114.6I130 R131I130-S134 PolarHBondContact O-N 2.73Å; I130-S134 VanDerWaalsContact O-N 3.08Å; I130-S134 PolarHBondContact O-OG 3.34Å; R131-S134 WeakPolarHBondContact CA-OG 3.42Å; R131-S134 PolarHBondContact O-N 2.92Å; R131-S134 PolarHBondContact O-OG 3.15Å; R131-S134 VanDerWaalsContact O-OG 3.07Å
135E93.4Very high95.3Very high138 Ų13883.4 Ų83.465%0.64546%0.455SS*.  trans-94.90179.3-67.4165.8-152.200110.7S70 R131S70-E135 WeakPolarHBondContact CB-OE1 3.34Å; S70-E135 PolarHBondContact N-OE2 3.03Å; S70-E135 PolarHBondContact OG-OE1 3.1Å; R131-E135 WeakPolarHBondContact O-CB 3.41Å; R131-E135 PolarHBondContact O-N 2.98Å

Retrieved 135 of 135 residues in 171.1 ms (Link to these results)