A0A087YPE6_POEFO Loading...

E3 ubiquitin-protein ligase RNF185

AlphaFold DB , UniProt , Accession A0A087YPE6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 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
1M45.6Very low48.5Very low248 Ų248120.2 Ų120.2100%1.22283%0.829SS**  0133.80-58170.3-174.700106.6
2A44.8Very low47.3Very low107 Ų107117.8 Ų117.888%0.88482%0.822SS**  cis-99.6-172.8-400000112
3A40.6Very low46.3Very low96 Ų96116.5 Ų116.579%0.79382%0.823SS**  trans-145166.1178.600000110.9
4A41.3Very low45.7Very low101 Ų101114.8 Ų114.884%0.83582%0.819SS**  trans62.8110.7166.400000118.8
5A45.1Very low44.9Very low93 Ų93115.3 Ų115.377%0.76982%0.822SS**  trans-93.8-160.8137.300000107.6
6P62.4Low44.1Very low120 Ų120112.7 Ų112.778%0.77982%0.818SS**  cis-127.6173.2-25.939.7-26.3000112.5
7S45Very low43.7Very low126 Ų126113.3 Ų113.388%0.88182%0.82SS**  trans-168.8155.2149.450.40000114.6
8A42.2Very low43Very low88 Ų88112.7 Ų112.773%0.72782%0.822SS**  trans-148.2-171164.800000105.8
9P57.5Low42.5Very low123 Ų123111.5 Ų111.580%0.79982%0.818SS**  cis-117.2-98-16.216.76.1000116.8
10P56.9Low42Very low109 Ų109111.1 Ų111.171%0.70882%0.82SS**  -119.4-145.2-129.244.4-26.2000111.6
11P52.4Low41.5Very low111 Ų111110.2 Ų110.272%0.72182%0.817SS**  cis-138.2176.6-14.341.6-23.5000117
12A34.1Very low41Very low91 Ų91103 Ų10375%0.75280%0.797SS**  trans50160136.800000124.7
13A34.1Very low40.4Very low101 Ų101105.5 Ų105.584%0.83579%0.79SS**  trans70.9153.4154.600000118.3
14A37.4Very low40Very low93 Ų93106.1 Ų106.177%0.76979%0.785SS**  cis-160.2175.9-20.600000110.7
15S34.9Very low39.9Very low123 Ų123106.2 Ų106.286%0.8678%0.779SS**  trans-63.6148.7176.1520000115.4
16G32Very low39.9Very low73 Ų73107.3 Ų107.375%0.75378%0.781SS**  trans-168.5151.6165.800000112.4
17S35.9Very low39.2Very low123 Ų123108 Ų10886%0.8679%0.785SS**  trans-146.3166.5179.8-67.90000111.3
18A32.8Very low38.7Very low103 Ų103105.8 Ų105.885%0.85178%0.782SS**  trans70.5157.3175.100000116.2
19A32.1Very low38.6Very low90 Ų90105.3 Ų105.374%0.74479%0.787SS**  cis-171.5168.1-27.700000109.5
20A32.5Very low37.8Very low103 Ų103105.4 Ų105.485%0.85179%0.79SS**  trans67.4156.5165.500000117.4
21A32.7Very low37.4Very low92 Ų92106.1 Ų106.176%0.7680%0.798SS**  cis-169.2171.5-23.400000110.1
22A34.8Very low36.8Very low98 Ų98106 Ų10681%0.8180%0.799SS**  trans65.6143.4171.700000116
23E31.3Very low37.2Very low159 Ų159106.6 Ų106.674%0.74380%0.798SS**  cis-152.1-161.6-2.6-114.9-7183.100106.2
24T31.6Very low38Very low109 Ų109109 Ų10967%0.66980%0.803SS**  cis-156.2154.316.2-30.40000111.4
25S40.2Very low38.1Very low102 Ų102108.7 Ų108.771%0.71380%0.8SS**  trans51.2113.6151.158.30000122
26S44.3Very low38.4Very low116 Ų116107.2 Ų107.281%0.81180%0.795SS**  trans-70.6167.6149.5-38.80000111.3
27P49.3Very low39Very low134 Ų134112 Ų11287%0.8780%0.804SS**  -149.7-179.181.741.2-23.9000115.2
28G32.8Very low39.2Very low80 Ų80108.5 Ų108.583%0.82579%0.787SS**  trans110.792.9164.300000114.5
29G40.8Very low39.7Very low79 Ų79107 Ų10781%0.81478%0.781SS**  trans-92.5155.117100000112.5
30S40.8Very low40.4Very low124 Ų124106.8 Ų106.887%0.86777%0.774SS**  trans-131.3123.5168.1-770000109.9
31S47.7Very low41.1Very low125 Ų125110.9 Ų110.987%0.87478%0.776SS**  trans-92.6114.4178.753.60000111.6
32S41.2Very low42Very low108 Ų108112 Ų11276%0.75577%0.769SS**  trans-154.5144.1164.752.60000110.6
33S42.2Very low43.1Very low103 Ų103112.1 Ų112.172%0.7276%0.764SS**  cis-162.9136.1-18.242.70000108.8A35S33-A35 PolarHBondContact O-N 3.22Å
34T51.2Low44.9Very low152 Ų152108.3 Ų108.393%0.93375%0.751SS**  trans-72.4108.2170.146.50000110.3
35A38.6Very low47.3Very low87 Ų87107.2 Ų107.272%0.71974%0.738SS**  trans-149.9125168.300000110.7S33S33-A35 PolarHBondContact O-N 3.22Å
36A42.1Very low49.5Very low91 Ų91107.3 Ų107.375%0.75273%0.727SS**  trans38.2100159.300000118.4G38A36-G38 PolarHBondContact O-N 2.94Å
37D44.4Very low51.7Low175 Ų175101.8 Ų101.894%0.93669%0.688SS**  -60.584.9126.4175.427000107.3
38G40.3Very low53.6Low49 Ų4999 Ų9951%0.50567%0.666SS.*  trans-116.790.9-177.500000107.7A36 S40A36-G38 PolarHBondContact O-N 2.94Å; G38-S40 PolarHBondContact O-N 3.05Å
39G42.4Very low56.3Low70 Ų7098.3 Ų98.372%0.72264%0.642SS**  trans-67.567.3-172.600000114.8Q41G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.73Å
40S47.3Very low58.6Low86 Ų8697.2 Ų97.260%0.60162%0.622SS**  trans-65.898.8146.563.10000106.9G38 D42G38-S40 PolarHBondContact O-N 3.05Å; S40-D42 WeakPolarHBondContact CB-OD2 3.43Å; S40-D42 PolarHBondContact O-N 2.73Å; S40-D42 PolarHBondContact OG-OD2 2.96Å
41Q47.7Very low60.9Low190 Ų19097.5 Ų97.589%0.88861%0.613SS**  trans-69.864.3156.2-72.5-177.591.500107.9G39 S43G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.73Å; Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.28Å
42D51.6Low62.8Low115 Ų11595 Ų9562%0.61559%0.59SS**  trans-57.4104159.6-73.2-60.7000105.4S40 T44S40-D42 WeakPolarHBondContact CB-OD2 3.43Å; S40-D42 PolarHBondContact O-N 2.73Å; S40-D42 PolarHBondContact OG-OD2 2.96Å; D42-T44 PolarHBondContact O-N 2.82Å
43S57.7Low65Low101 Ų10192 Ų9271%0.70657%0.567SS**  trans-73.570.2-178.244.40000109.5Q41 F45Q41-S43 VanDerWaalsContact C-N 3.32Å; Q41-S43 PolarHBondContact O-N 3.28Å; S43-F45 PolarHBondContact O-N 2.68Å; S43-F45 VanDerWaalsContact O-N 3.13Å
44T70.1Confident66.9Low79 Ų7987.4 Ų87.449%0.48554%0.536SS..  trans-51.4119.5171.946.30000107.8D42 E46D42-T44 PolarHBondContact O-N 2.82Å; T44-E46 PolarHBondContact O-N 3.24Å
45F80.3Confident68.4Low86 Ų8686.4 Ų86.438%0.37752%0.518SS..  trans-65.9102-174.2-65.2-70.4000109.1S43 A54 L65 L99S43-F45 PolarHBondContact O-N 2.68Å; S43-F45 VanDerWaalsContact O-N 3.13Å; F45-A54 HydrophobicContact CB-CB 4.37Å; F45-A54 WeakPolarHBondContact O-CA 3.39Å; F45-A54 WeakPolarHBondContact O-CB 3.5Å; F45-A54 PolarHBondContact O-N 2.89Å; F45-L65 HydrophobicContact CB-CD1 3.78Å; F45-L65 HydrophobicContact CB-CD2 3.89Å; F45-L65 HydrophobicContact CD1-CD1 3.58Å; F45-L65 HydrophobicContact CE1-CD1 4.49Å; F45-L65 HydrophobicContact CG-CD1 3.96Å; F45-L99 HydrophobicContact CE1-CD1 4.27Å
46E87.1Confident70.6Confident103 Ų10388 Ų8848%0.48151%0.514SS..BIsolated β-bridgetrans-81.6134.6-177.4-161.8-167.5138.900111.3T44 L51 L65T44-E46 PolarHBondContact O-N 3.24Å; E46-L51 WeakPolarHBondContact OE1-CA 3.44Å; E46-L51 WeakPolarHBondContact OE1-CD2 3.41Å; E46-L65 WeakPolarHBondContact O-CD2 3.15Å
47C90Very high72.8Confident0 Ų084 Ų840%048%0.482CS..  trans-83.3116.5175.7171.60000111.6I49 C50 L51 D52 A54 C67C47-I49 PolarHBondContact O-N 3.27Å; C47-C50 WeakPolarHBondContact CB-SG 3.5Å; C47-C50 PolarHBondContact O-N 3.06Å; C47-L51 PolarHBondContact O-N 2.89Å; C47-D52 PolarHBondContact N-O 2.78Å; C47-A54 HydrophobicContact CB-CB 4.14Å; C47-C67 WeakPolarHBondContact CB-SG 3.45Å; C47-C67 PolarHBondContact SG-N 2.8Å; C47-C67 VanDerWaalsContact SG-SG 3.61Å
48N89.2Confident75Confident76 Ų7676 Ų7641%0.40644%0.439SS..THydrogen-bonded Turntrans-67.317.2179.5-71.4-102.9000114.9L65 F66 V86N48-L65 PolarHBondContact N-O 3Å; N48-L65 PolarHBondContact ND2-O 3.48Å; N48-F66 HydrophobicContact CB-CD1 3.96Å; N48-F66 HydrophobicContact CB-CE1 3.59Å; N48-V86 HydrophobicContact CB-CG2 3.91Å
49I89.4Confident77.4Confident65 Ų6575.8 Ų75.833%0.33343%0.426SS..THydrogen-bonded Turntrans-125.7-38.6175.4-65.6163.6000111.4C47 F66 C70 P85C47-I49 PolarHBondContact O-N 3.27Å; I49-F66 HydrophobicContact CD1-CB 4.3Å; I49-F66 HydrophobicContact CD1-CD1 3.45Å; I49-F66 VanDerWaalsContact CD1-CD1 3.45Å; I49-F66 HydrophobicContact CD1-CE1 4.01Å; I49-F66 HydrophobicContact CD1-CG 4.04Å; I49-F66 HydrophobicContact CG1-CD1 3.62Å; I49-F66 HydrophobicContact CG1-CE1 3.95Å; I49-C70 HydrophobicContact CB-CB 3.96Å; I49-C70 HydrophobicContact CD1-CB 3.91Å; I49-C70 HydrophobicContact CG2-CB 3.86Å; I49-P85 HydrophobicContact CD1-CG 4.19Å; I49-P85 HydrophobicContact CG1-CG 4.1Å
50C90Very high79.8Confident57 Ų5772.5 Ų72.539%0.38539%0.392SS..THydrogen-bonded Turntrans-110.1-6.5-179.267.50000114.7C47 D52C47-C50 WeakPolarHBondContact CB-SG 3.5Å; C47-C50 PolarHBondContact O-N 3.06Å; C50-D52 PolarHBondContact O-N 2.82Å
51L89.1Confident81.8Confident130 Ų13073.9 Ų73.968%0.68139%0.392SS*.SBendtrans53.641.2177.9-47.6-179.4000112.5E46 C47E46-L51 WeakPolarHBondContact OE1-CA 3.44Å; E46-L51 WeakPolarHBondContact OE1-CD2 3.41Å; C47-L51 PolarHBondContact O-N 2.89Å
52D87.8Confident83.9Confident72 Ų7266.7 Ų66.739%0.38536%0.362SS..SBendtrans-139.8165.3179.9179.830.1000108.7C47 C50 A54 K55C47-D52 PolarHBondContact N-O 2.78Å; C50-D52 PolarHBondContact O-N 2.82Å; D52-A54 PolarHBondContact O-N 3.13Å; D52-K55 IonicContact OD2-NZ 3.79Å; D52-K55 PolarHBondContact OD2-NZ 3.38Å
53T85.8Confident85.8Confident44 Ų4463.9 Ų63.927%0.2736%0.36SS..BIsolated β-bridgetrans-53.5120.3176.6-550000110.9K55T53-K55 PolarHBondContact O-N 3.41Å
54A83.1Confident87.4Confident8 Ų861.3 Ų61.37%0.06634%0.337CS..  trans-70.5106.2-169.700000112.7F45 C47 D52 A57 L65 C67F45-A54 HydrophobicContact CB-CB 4.37Å; F45-A54 WeakPolarHBondContact O-CA 3.39Å; F45-A54 WeakPolarHBondContact O-CB 3.5Å; F45-A54 PolarHBondContact O-N 2.89Å; C47-A54 HydrophobicContact CB-CB 4.14Å; D52-A54 PolarHBondContact O-N 3.13Å; A54-A57 HydrophobicContact CB-CB 3.84Å; A54-L65 HydrophobicContact CB-CD2 3.53Å; A54-C67 VanDerWaalsContact CA-SG 3.59Å
55K82.5Confident88.4Confident131 Ų13158.3 Ų58.357%0.5732%0.318SS*.THydrogen-bonded Turntrans-78.3128.5168.5-66.3138.4-173.4155.50108.4D52 T53 C67D52-K55 IonicContact OD2-NZ 3.79Å; D52-K55 PolarHBondContact OD2-NZ 3.38Å; T53-K55 PolarHBondContact O-N 3.41Å; K55-C67 WeakPolarHBondContact O-CA 3.25Å; K55-C67 VanDerWaalsContact O-CB 3.27Å; K55-C67 WeakPolarHBondContact O-CB 3.39Å
56D85.5Confident89Confident119 Ų11954.2 Ų54.264%0.63630%0.3SS*.THydrogen-bonded Turntrans48.860.2-170.1-57.7-46.1000111.9V58 W68D56-V58 PolarHBondContact O-N 2.78Å; D56-W68 HydrophobicContact CB-CB 3.86Å; D56-W68 WeakPolarHBondContact O-CB 3.39Å; D56-W68 PolarHBondContact O-N 2.88Å
57A87.8Confident89.2Confident8 Ų849.6 Ų49.67%0.06628%0.279CS..EExtended strand (participates in β ladder)trans-57.8123.9-177.400000111.6A54 L65 F66 L99A54-A57 HydrophobicContact CB-CB 3.84Å; A57-L65 HydrophobicContact CB-CD1 4.5Å; A57-L65 HydrophobicContact CB-CD2 4.19Å; A57-L65 HydrophobicContact CB-CG 4.5Å; A57-F66 WeakPolarHBondContact CA-O 3.27Å; A57-L99 HydrophobicContact CB-CB 4.31Å; A57-L99 PolarHBondContact O-N 3.03Å
58V90.8Very high89.3Confident7 Ų753.8 Ų53.84%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-121.4133.2174.6-69.90000110.2D56 L65 F66 W68 L71 V96 P98D56-V58 PolarHBondContact O-N 2.78Å; V58-L65 WeakPolarHBondContact O-CA 3.43Å; V58-F66 HydrophobicContact CG2-CB 4.37Å; V58-F66 WeakPolarHBondContact CG2-O 3.33Å; V58-F66 PolarHBondContact N-O 3.32Å; V58-F66 PolarHBondContact O-N 3.12Å; V58-W68 HydrophobicContact CG1-CB 4.17Å; V58-W68 HydrophobicContact CG1-CE3 4.1Å; V58-W68 HydrophobicContact CG2-CB 4.49Å; V58-W68 HydrophobicContact CG2-CE3 4.46Å; V58-L71 HydrophobicContact CG2-CB 4.41Å; V58-L71 HydrophobicContact CG2-CD2 3.84Å; V58-V96 HydrophobicContact CB-CB 4.35Å; V58-V96 HydrophobicContact CB-CG2 4.47Å; V58-V96 HydrophobicContact CG1-CG2 4.38Å; V58-P98 HydrophobicContact CG1-CB 4.41Å
59I91.6Very high89.4Confident45 Ų4553.6 Ų53.623%0.23130%0.297CS..EExtended strand (participates in β ladder)trans-96.9132.6170.7-77.9-170000109.9L65 V96 I97 L99I59-L65 HydrophobicContact CD1-CD1 4.21Å; I59-L65 HydrophobicContact CG1-CB 4.1Å; I59-L65 HydrophobicContact CG1-CD1 3.94Å; I59-L65 HydrophobicContact CG1-CG 4.12Å; I59-V96 WeakPolarHBondContact O-CA 3.02Å; I59-I97 PolarHBondContact N-O 3.27Å; I59-I97 PolarHBondContact O-N 3.4Å; I59-L99 HydrophobicContact CD1-CD1 3.51Å; I59-L99 HydrophobicContact CD1-CG 4.12Å; I59-L99 HydrophobicContact CG1-CD1 3.88Å; I59-L99 HydrophobicContact CG1-CG 4.13Å
60S91.4Very high89.6Confident0 Ų052 Ų520%029%0.291CS..  trans-77.9153.9167.460.20000111.3C62 G63 H64S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 PolarHBondContact OG-SG 3.13Å; S60-G63 PolarHBondContact O-N 3.03Å; S60-H64 PolarHBondContact N-O 3.06Å; S60-H64 PolarHBondContact OG-N 3.19Å; S60-H64 VanDerWaalsContact OG-N 3.15Å; S60-H64 PolarHBondContact OG-O 3.2Å
61L89.8Confident89.7Confident116 Ų11649.3 Ų49.361%0.60727%0.273SS*.THydrogen-bonded Turntrans-55.3-19.6176.2-62.2-176.9000114.3G63 K95L61-G63 VanDerWaalsContact C-N 3.34Å; L61-K95 HydrophobicContact CD1-CB 4.08Å; L61-K95 HydrophobicContact CD1-CD 4.32Å; L61-K95 HydrophobicContact CG-CB 4.38Å; L61-K95 WeakPolarHBondContact CG-O 3.24Å
62C91.7Very high89.8Confident39 Ų3945 Ų4526%0.26425%0.25SC..THydrogen-bonded Turntrans-90.917.5175.467.30000114.2S60 H64 C84 C87 A89S60-C62 PolarHBondContact O-N 3.36Å; S60-C62 PolarHBondContact OG-SG 3.13Å; C62-H64 VanDerWaalsContact C-N 3.29Å; C62-H64 PolarHBondContact O-CE1 3.37Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.08Å; C62-C84 VanDerWaalsContact SG-SG 3.62Å; C62-C87 PolarHBondContact SG-SG 3.3Å; C62-A89 HydrophobicContact CB-CB 3.78Å
63G90.4Very high90Very high55 Ų5547.2 Ų47.257%0.56726%0.258SS*.SBendtrans79.6-7.5173.800000116.5S60 L61S60-G63 PolarHBondContact O-N 3.03Å; L61-G63 VanDerWaalsContact C-N 3.34Å
64H92.4Very high90.3Very high47 Ų4747.7 Ų47.722%0.21826%0.255CS..  trans-83.1138.6-177.3-62.975.5000111.7S60 C62 F66 V86 C87S60-H64 PolarHBondContact N-O 3.06Å; S60-H64 PolarHBondContact OG-N 3.19Å; S60-H64 VanDerWaalsContact OG-N 3.15Å; S60-H64 PolarHBondContact OG-O 3.2Å; C62-H64 VanDerWaalsContact C-N 3.29Å; C62-H64 PolarHBondContact O-CE1 3.37Å; C62-H64 PolarHBondContact O-N 3.02Å; C62-H64 PolarHBondContact O-ND1 3.08Å; H64-F66 HydrophobicContact CB-CE2 3.71Å; H64-F66 HydrophobicContact CB-CZ 3.6Å; H64-F66 WeakPolarHBondContact O-CE2 3.47Å; H64-V86 WeakPolarHBondContact CD2-CB 3.19Å; H64-V86 WeakPolarHBondContact NE2-CG1 3.41Å; H64-C87 VanDerWaalsContact CE1-SG 3.58Å
65L91.2Very high90.6Very high17 Ų1748.1 Ų48.19%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-109.1136.7-172.3-169.2150.9000112.1F45 E46 N48 A54 A57 V58 I59 L99F45-L65 HydrophobicContact CB-CD1 3.78Å; F45-L65 HydrophobicContact CB-CD2 3.89Å; F45-L65 HydrophobicContact CD1-CD1 3.58Å; F45-L65 HydrophobicContact CE1-CD1 4.49Å; F45-L65 HydrophobicContact CG-CD1 3.96Å; E46-L65 WeakPolarHBondContact O-CD2 3.15Å; N48-L65 PolarHBondContact N-O 3Å; N48-L65 PolarHBondContact ND2-O 3.48Å; A54-L65 HydrophobicContact CB-CD2 3.53Å; A57-L65 HydrophobicContact CB-CD1 4.5Å; A57-L65 HydrophobicContact CB-CD2 4.19Å; A57-L65 HydrophobicContact CB-CG 4.5Å; V58-L65 WeakPolarHBondContact O-CA 3.43Å; I59-L65 HydrophobicContact CD1-CD1 4.21Å; I59-L65 HydrophobicContact CG1-CB 4.1Å; I59-L65 HydrophobicContact CG1-CD1 3.94Å; I59-L65 HydrophobicContact CG1-CG 4.12Å; L65-L99 HydrophobicContact CD1-CD1 3.98Å
66F92.4Very high90.9Very high0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-142.9159.2-177-50.4-74.5000111.1N48 I49 A57 V58 H64 L71 P85 V86N48-F66 HydrophobicContact CB-CD1 3.96Å; N48-F66 HydrophobicContact CB-CE1 3.59Å; I49-F66 HydrophobicContact CD1-CB 4.3Å; I49-F66 HydrophobicContact CD1-CD1 3.45Å; I49-F66 VanDerWaalsContact CD1-CD1 3.45Å; I49-F66 HydrophobicContact CD1-CE1 4.01Å; I49-F66 HydrophobicContact CD1-CG 4.04Å; I49-F66 HydrophobicContact CG1-CD1 3.62Å; I49-F66 HydrophobicContact CG1-CE1 3.95Å; A57-F66 WeakPolarHBondContact CA-O 3.27Å; V58-F66 HydrophobicContact CG2-CB 4.37Å; V58-F66 WeakPolarHBondContact CG2-O 3.33Å; V58-F66 PolarHBondContact N-O 3.32Å; V58-F66 PolarHBondContact O-N 3.12Å; H64-F66 HydrophobicContact CB-CE2 3.71Å; H64-F66 HydrophobicContact CB-CZ 3.6Å; H64-F66 WeakPolarHBondContact O-CE2 3.47Å; F66-L71 HydrophobicContact CB-CB 3.99Å; F66-L71 HydrophobicContact CD2-CD1 4.1Å; F66-L71 HydrophobicContact CD2-CD2 4.07Å; F66-L71 HydrophobicContact CD2-CG 4.48Å; F66-L71 HydrophobicContact CE2-CD1 4.42Å; F66-L71 HydrophobicContact CG-CB 4.41Å; F66-L71 HydrophobicContact CG-CD1 4.48Å; F66-P85 HydrophobicContact CD1-CG 4.36Å; F66-P85 HydrophobicContact CE1-CG 3.42Å; F66-P85 VanDerWaalsContact CE1-CG 3.42Å; F66-P85 HydrophobicContact CZ-CG 3.58Å; F66-V86 HydrophobicContact CE1-CG2 4.31Å; F66-V86 HydrophobicContact CZ-CG2 4.33Å
67C91.4Very high91.1Very high5 Ų545.3 Ų45.33%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-67139.3158.2-540000109.3C47 A54 K55 P69 C70 L71C47-C67 WeakPolarHBondContact CB-SG 3.45Å; C47-C67 PolarHBondContact SG-N 2.8Å; C47-C67 VanDerWaalsContact SG-SG 3.61Å; A54-C67 VanDerWaalsContact CA-SG 3.59Å; K55-C67 WeakPolarHBondContact O-CA 3.25Å; K55-C67 VanDerWaalsContact O-CB 3.27Å; K55-C67 WeakPolarHBondContact O-CB 3.39Å; C67-P69 HydrophobicContact CB-CG 4.15Å; C67-C70 HydrophobicContact CB-CB 4.07Å; C67-C70 PolarHBondContact O-N 3.46Å; C67-C70 VanDerWaalsContact O-N 3.13Å; C67-L71 PolarHBondContact O-N 3.02Å
68W91.4Very high91Very high88 Ų8850.7 Ų50.733%0.33327%0.265SS..Hα-helixtrans-47.7-52.4172.1174.6-120.7000114.1D56 V58 C70 L71 H72 R93 V96D56-W68 HydrophobicContact CB-CB 3.86Å; D56-W68 WeakPolarHBondContact O-CB 3.39Å; D56-W68 PolarHBondContact O-N 2.88Å; V58-W68 HydrophobicContact CG1-CB 4.17Å; V58-W68 HydrophobicContact CG1-CE3 4.1Å; V58-W68 HydrophobicContact CG2-CB 4.49Å; V58-W68 HydrophobicContact CG2-CE3 4.46Å; W68-C70 VanDerWaalsContact C-N 3.34Å; W68-C70 PolarHBondContact O-N 3.45Å; W68-L71 PolarHBondContact O-N 3.38Å; W68-H72 WeakPolarHBondContact O-CB 3.49Å; W68-H72 PolarHBondContact O-N 3.05Å; W68-R93 HydrophobicContact CH2-CG 3.89Å; W68-R93 HydrophobicContact CZ3-CG 4.48Å; W68-V96 HydrophobicContact CE3-CG2 4.4Å; W68-V96 HydrophobicContact CZ3-CG2 3.85Å
69P92.2Very high90.5Very high72 Ų7254.4 Ų54.447%0.46829%0.29SS..Hα-helixtrans-62.6-35.7178.923-34.7000113.6C67 H72 Q73C67-P69 HydrophobicContact CB-CG 4.15Å; P69-H72 PolarHBondContact O-N 3.01Å; P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.32Å
70C92.7Very high90.1Very high31 Ų3159.9 Ų59.921%0.20932%0.319CS..Hα-helixtrans-66.9-43.4178.9-63.70000111.8I49 C67 W68 W74I49-C70 HydrophobicContact CB-CB 3.96Å; I49-C70 HydrophobicContact CD1-CB 3.91Å; I49-C70 HydrophobicContact CG2-CB 3.86Å; C67-C70 HydrophobicContact CB-CB 4.07Å; C67-C70 PolarHBondContact O-N 3.46Å; C67-C70 VanDerWaalsContact O-N 3.13Å; W68-C70 VanDerWaalsContact C-N 3.34Å; W68-C70 PolarHBondContact O-N 3.45Å; C70-W74 WeakPolarHBondContact O-CB 3.34Å; C70-W74 PolarHBondContact O-N 2.97Å; C70-W74 VanDerWaalsContact O-N 3.15Å
71L92.3Very high89.7Confident1 Ų169 Ų691%0.00535%0.354CS..Hα-helixtrans-71.1-38.1177.2-177.561.4000111.9V58 F66 C67 W68 W74 L75 I91 V96V58-L71 HydrophobicContact CG2-CB 4.41Å; V58-L71 HydrophobicContact CG2-CD2 3.84Å; F66-L71 HydrophobicContact CB-CB 3.99Å; F66-L71 HydrophobicContact CD2-CD1 4.1Å; F66-L71 HydrophobicContact CD2-CD2 4.07Å; F66-L71 HydrophobicContact CD2-CG 4.48Å; F66-L71 HydrophobicContact CE2-CD1 4.42Å; F66-L71 HydrophobicContact CG-CB 4.41Å; F66-L71 HydrophobicContact CG-CD1 4.48Å; C67-L71 PolarHBondContact O-N 3.02Å; W68-L71 PolarHBondContact O-N 3.38Å; L71-W74 WeakPolarHBondContact O-CB 3.35Å; L71-W74 PolarHBondContact O-N 3.48Å; L71-L75 HydrophobicContact CG-CD1 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.2Å; L71-L75 PolarHBondContact O-N 2.82Å; L71-I91 HydrophobicContact CD1-CD1 4.1Å; L71-I91 HydrophobicContact CD2-CD1 3.87Å; L71-V96 HydrophobicContact CD2-CG1 3.77Å
72H91.6Very high89.6Confident41 Ų4167.3 Ų67.319%0.1934%0.343CS..Hα-helixtrans-60.4-50.8176.3175.5-111.1000111.4W68 P69 W74 L75 E76 R93W68-H72 WeakPolarHBondContact O-CB 3.49Å; W68-H72 PolarHBondContact O-N 3.05Å; P69-H72 PolarHBondContact O-N 3.01Å; H72-W74 VanDerWaalsContact C-N 3.32Å; H72-W74 PolarHBondContact O-N 3.36Å; H72-L75 PolarHBondContact O-N 3.15Å; H72-E76 IonicContact CD2-OE1 2.82Å; H72-E76 IonicContact CE1-OE1 3.22Å; H72-E76 PolarHBondContact CE1-OE1 2.89Å; H72-E76 VanDerWaalsContact CE1-OE1 3.22Å; H72-E76 IonicContact CE1-OE2 3.23Å; H72-E76 PolarHBondContact CE1-OE2 3.06Å; H72-E76 VanDerWaalsContact CE1-OE2 3.23Å; H72-E76 IonicContact NE2-OE1 2.7Å; H72-E76 PolarHBondContact NE2-OE1 3.35Å; H72-E76 IonicContact NE2-OE2 3.51Å; H72-E76 PolarHBondContact O-N 3.5Å; H72-R93 VanDerWaalsContact CD2-CZ 3.43Å; H72-R93 PolarHBondContact CD2-NH1 2.85Å; H72-R93 PolarHBondContact CD2-NH2 2.83Å; H72-R93 PolarHBondContact NE2-NH1 3.05Å; H72-R93 VanDerWaalsContact NE2-NH1 3.19Å; H72-R93 PolarHBondContact NE2-NH2 3.2Å
73Q92.6Very high89.6Confident117 Ų11767.6 Ų67.655%0.54734%0.343SS..Hα-helixtrans-57.6-42.2174.3-173.268.242.500112.2P69 L75 E76 T77P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.32Å; Q73-L75 PolarHBondContact O-N 3.36Å; Q73-E76 PolarHBondContact O-N 3.15Å; Q73-T77 WeakPolarHBondContact O-CG2 3.46Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.86Å
74W91.3Very high89.7Confident55 Ų5565 Ų6521%0.20832%0.317CS..Hα-helixtrans-59.8-45.4177.5175.9-98.2000112.2C70 L71 H72 T77 R78 V83 P85C70-W74 WeakPolarHBondContact O-CB 3.34Å; C70-W74 PolarHBondContact O-N 2.97Å; C70-W74 VanDerWaalsContact O-N 3.15Å; L71-W74 WeakPolarHBondContact O-CB 3.35Å; L71-W74 PolarHBondContact O-N 3.48Å; H72-W74 VanDerWaalsContact C-N 3.32Å; H72-W74 PolarHBondContact O-N 3.36Å; W74-T77 PolarHBondContact O-N 2.84Å; W74-T77 PolarHBondContact O-OG1 3.1Å; W74-R78 PolarHBondContact O-N 2.99Å; W74-V83 PolarHBondContact NE1-O 2.99Å; W74-P85 HydrophobicContact CD2-CB 4.25Å; W74-P85 HydrophobicContact CH2-CB 3.93Å; W74-P85 HydrophobicContact CZ2-CB 3.65Å; W74-P85 HydrophobicContact CZ3-CB 4.38Å
75L89.6Confident89.5Confident16 Ų1664.5 Ų64.58%0.08432%0.317CS..Hα-helixtrans-66.6-40178.3-66.8171.7000112.2L71 H72 Q73 R78 Q82 I91 R93L71-L75 HydrophobicContact CG-CD1 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.2Å; L71-L75 PolarHBondContact O-N 2.82Å; H72-L75 PolarHBondContact O-N 3.15Å; Q73-L75 PolarHBondContact O-N 3.36Å; L75-R78 CarbonylContact O-C 3.27Å; L75-R78 VanDerWaalsContact O-C 3.27Å; L75-R78 PolarHBondContact O-N 2.83Å; L75-R78 VanDerWaalsContact O-N 3.12Å; L75-Q82 HydrophobicContact CD2-CB 3.89Å; L75-Q82 HydrophobicContact CD2-CG 4.21Å; L75-I91 HydrophobicContact CD2-CG2 3.97Å; L75-R93 HydrophobicContact CD1-CB 4.39Å
76E89.8Confident89.5Confident108 Ų10867 Ų6751%0.50533%0.333SS..Hα-helixtrans-68.9-31.6178.2-70.5-170.7161.800113.1H72 Q73 R78 R93H72-E76 IonicContact CD2-OE1 2.82Å; H72-E76 IonicContact CE1-OE1 3.22Å; H72-E76 PolarHBondContact CE1-OE1 2.89Å; H72-E76 VanDerWaalsContact CE1-OE1 3.22Å; H72-E76 IonicContact CE1-OE2 3.23Å; H72-E76 PolarHBondContact CE1-OE2 3.06Å; H72-E76 VanDerWaalsContact CE1-OE2 3.23Å; H72-E76 IonicContact NE2-OE1 2.7Å; H72-E76 PolarHBondContact NE2-OE1 3.35Å; H72-E76 IonicContact NE2-OE2 3.51Å; H72-E76 PolarHBondContact O-N 3.5Å; Q73-E76 PolarHBondContact O-N 3.15Å; E76-R78 PolarHBondContact O-N 2.85Å; E76-R93 IonicContact OE1-NH1 3.57Å
77T88.6Confident89.4Confident83 Ų8369.7 Ų69.751%0.50935%0.351SS..THydrogen-bonded Turntrans-70.6-14.2171.462.20000113.9Q73 W74Q73-T77 WeakPolarHBondContact O-CG2 3.46Å; Q73-T77 PolarHBondContact O-N 3.25Å; Q73-T77 PolarHBondContact O-OG1 2.86Å; W74-T77 PolarHBondContact O-N 2.84Å; W74-T77 PolarHBondContact O-OG1 3.1Å
78R84.9Confident89.4Confident121 Ų12177.5 Ų77.546%0.45739%0.385SS..  trans-141.454.9-171.1-59.9179.2-169.1-153.6-1.1112.8W74 L75 E76 N80 R81W74-R78 PolarHBondContact O-N 2.99Å; L75-R78 CarbonylContact O-C 3.27Å; L75-R78 VanDerWaalsContact O-C 3.27Å; L75-R78 PolarHBondContact O-N 2.83Å; L75-R78 VanDerWaalsContact O-N 3.12Å; E76-R78 PolarHBondContact O-N 2.85Å; R78-N80 PolarHBondContact O-N 3.29Å; R78-N80 VanDerWaalsContact O-N 3.14Å; R78-R81 CarbonylContact O-C 3.25Å; R78-R81 VanDerWaalsContact O-C 3.25Å; R78-R81 PolarHBondContact O-N 2.9Å
79P81.3Confident89.3Confident86 Ų8675 Ų7556%0.55838%0.383SS*.THydrogen-bonded Turntrans-58.3-35.5-174.223.9-34.7000113.1R81P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.21Å
80N82.6Confident89.2Confident160 Ų16074.8 Ų74.886%0.85639%0.393SS*.THydrogen-bonded Turntrans-75.6-6.8178.2-64.4-16000114.2R78R78-N80 PolarHBondContact O-N 3.29Å; R78-N80 VanDerWaalsContact O-N 3.14Å
81R82.6Confident89.1Confident191 Ų19173.9 Ų73.972%0.72139%0.386SS*.  trans-146.572.3-177.2-69-171.3179.4171.90.4110.8R78 P79 V83R78-R81 CarbonylContact O-C 3.25Å; R78-R81 VanDerWaalsContact O-C 3.25Å; R78-R81 PolarHBondContact O-N 2.9Å; P79-R81 VanDerWaalsContact C-N 3.26Å; P79-R81 PolarHBondContact O-N 3.21Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.82Å
82Q88.5Confident88.8Confident80 Ų8074.5 Ų74.537%0.37439%0.391SS..  trans-72.183.9172.9-53.2-1747.800110.3L75 I91L75-Q82 HydrophobicContact CD2-CB 3.89Å; L75-Q82 HydrophobicContact CD2-CG 4.21Å; Q82-I91 WeakPolarHBondContact CB-O 3.27Å; Q82-I91 PolarHBondContact O-N 3.19Å; Q82-I91 VanDerWaalsContact O-N 3.09Å; Q82-I91 PolarHBondContact OE1-O 3.14Å
83V91.9Very high88.4Confident46 Ų4678 Ų7828%0.27940%0.403SS..BIsolated β-bridgetrans-127.4145-178.4-63.20000111.9W74 R81 A89W74-V83 PolarHBondContact NE1-O 2.99Å; R81-V83 VanDerWaalsContact C-N 3.3Å; R81-V83 PolarHBondContact O-N 2.82Å; V83-A89 CarbonylContact C-O 3.58Å; V83-A89 WeakPolarHBondContact CA-O 3.42Å
84C92.1Very high88Confident1 Ų179.2 Ų79.21%0.00741%0.408CS..  trans-57.9130.9172.3176.20000110.6C62 V86 C87 K88 A89C62-C84 VanDerWaalsContact SG-SG 3.62Å; C84-V86 PolarHBondContact O-N 3.2Å; C84-C87 VanDerWaalsContact SG-SG 3.65Å; C84-K88 WeakPolarHBondContact O-CA 3.47Å; C84-K88 PolarHBondContact O-N 2.94Å; C84-A89 PolarHBondContact N-O 3.34Å
85P89.3Confident87.7Confident36 Ų3682.8 Ų82.823%0.23443%0.425CS..THydrogen-bonded Turntrans-63.3-27.5-179.525-34.8000113.6I49 F66 W74I49-P85 HydrophobicContact CD1-CG 4.19Å; I49-P85 HydrophobicContact CG1-CG 4.1Å; F66-P85 HydrophobicContact CD1-CG 4.36Å; F66-P85 HydrophobicContact CE1-CG 3.42Å; F66-P85 VanDerWaalsContact CE1-CG 3.42Å; F66-P85 HydrophobicContact CZ-CG 3.58Å; W74-P85 HydrophobicContact CD2-CB 4.25Å; W74-P85 HydrophobicContact CH2-CB 3.93Å; W74-P85 HydrophobicContact CZ2-CB 3.65Å; W74-P85 HydrophobicContact CZ3-CB 4.38Å
86V90.7Very high87.6Confident69 Ų6983.1 Ų83.142%0.41843%0.428SS..THydrogen-bonded Turntrans-86.6-68-178.1-171.30000111.1N48 H64 F66 C84N48-V86 HydrophobicContact CB-CG2 3.91Å; H64-V86 WeakPolarHBondContact CD2-CB 3.19Å; H64-V86 WeakPolarHBondContact NE2-CG1 3.41Å; F66-V86 HydrophobicContact CE1-CG2 4.31Å; F66-V86 HydrophobicContact CZ-CG2 4.33Å; C84-V86 PolarHBondContact O-N 3.2Å
87C90.6Very high87.6Confident57 Ų5782.4 Ų82.439%0.38543%0.427SS..THydrogen-bonded Turntrans-95.1-0.2-172.370.10000115.2C62 H64 C84 A89C62-C87 PolarHBondContact SG-SG 3.3Å; H64-C87 VanDerWaalsContact CE1-SG 3.58Å; C84-C87 VanDerWaalsContact SG-SG 3.65Å; C87-A89 PolarHBondContact O-N 3.43Å
88K91.6Very high87.5Confident168 Ų16881.2 Ų81.273%0.7342%0.421SS*.  trans62.66.2179.4-51.9167.2-171.2167.40115.7C84C84-K88 WeakPolarHBondContact O-CA 3.47Å; C84-K88 PolarHBondContact O-N 2.94Å
89A89.3Confident87.5Confident37 Ų3778.3 Ų78.331%0.30641%0.413SS..  trans-60148173.300000111.7C62 V83 C84 C87 I91C62-A89 HydrophobicContact CB-CB 3.78Å; V83-A89 CarbonylContact C-O 3.58Å; V83-A89 WeakPolarHBondContact CA-O 3.42Å; C84-A89 PolarHBondContact N-O 3.34Å; C87-A89 PolarHBondContact O-N 3.43Å; A89-I91 PolarHBondContact O-N 3.26Å
90G89.2Confident87.3Confident66 Ų6683.9 Ų83.968%0.6843%0.425SS*.BIsolated β-bridgetrans-63.1132.4175.700000111.6
91I90.1Very high86.5Confident12 Ų1277.4 Ų77.46%0.06240%0.396CS..  trans-134.2154.6178.8-168.7179.1000108L71 L75 Q82 A89 V96L71-I91 HydrophobicContact CD1-CD1 4.1Å; L71-I91 HydrophobicContact CD2-CD1 3.87Å; L75-I91 HydrophobicContact CD2-CG2 3.97Å; Q82-I91 WeakPolarHBondContact CB-O 3.27Å; Q82-I91 PolarHBondContact O-N 3.19Å; Q82-I91 VanDerWaalsContact O-N 3.09Å; Q82-I91 PolarHBondContact OE1-O 3.14Å; A89-I91 PolarHBondContact O-N 3.26Å; I91-V96 HydrophobicContact CD1-CG1 4.01Å; I91-V96 HydrophobicContact CG1-CG1 4.29Å
92S86.4Confident85.4Confident15 Ų1580.2 Ų80.211%0.10541%0.406CS..  trans-139.9158.3168.179.30000110.8E94 K95S92-E94 WeakPolarHBondContact CB-OE2 3.12Å; S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 VanDerWaalsContact O-N 3.16Å; S92-E94 PolarHBondContact OG-OE2 2.91Å; S92-K95 PolarHBondContact O-N 2.89Å; S92-K95 WeakPolarHBondContact OG-CD 3.09Å; S92-K95 WeakPolarHBondContact OG-CG 3.37Å
93R84.5Confident83.8Confident114 Ų11478.5 Ų78.543%0.4341%0.41SS..THydrogen-bonded Turntrans-62.2-24.5-171.2-176.9-179.2-178151.95113W68 H72 L75 E76W68-R93 HydrophobicContact CH2-CG 3.89Å; W68-R93 HydrophobicContact CZ3-CG 4.48Å; H72-R93 VanDerWaalsContact CD2-CZ 3.43Å; H72-R93 PolarHBondContact CD2-NH1 2.85Å; H72-R93 PolarHBondContact CD2-NH2 2.83Å; H72-R93 PolarHBondContact NE2-NH1 3.05Å; H72-R93 VanDerWaalsContact NE2-NH1 3.19Å; H72-R93 PolarHBondContact NE2-NH2 3.2Å; L75-R93 HydrophobicContact CD1-CB 4.39Å; E76-R93 IonicContact OE1-NH1 3.57Å
94E82.9Confident82.1Confident143 Ų14379.4 Ų79.467%0.66842%0.418SS*.THydrogen-bonded Turntrans-91.9-9.4-176.9-37.968.9-147.600112.1S92S92-E94 WeakPolarHBondContact CB-OE2 3.12Å; S92-E94 PolarHBondContact O-N 3.35Å; S92-E94 VanDerWaalsContact O-N 3.16Å; S92-E94 PolarHBondContact OG-OE2 2.91Å
95K84.5Confident80.4Confident129 Ų12985.9 Ų85.956%0.56146%0.458SS*.SBendtrans-114.321.9-173.2-66.3179.4-173.3173.40113L61 S92L61-K95 HydrophobicContact CD1-CB 4.08Å; L61-K95 HydrophobicContact CD1-CD 4.32Å; L61-K95 HydrophobicContact CG-CB 4.38Å; L61-K95 WeakPolarHBondContact CG-O 3.24Å; S92-K95 PolarHBondContact O-N 2.89Å; S92-K95 WeakPolarHBondContact OG-CD 3.09Å; S92-K95 WeakPolarHBondContact OG-CG 3.37Å
96V88.6Confident79Confident24 Ų2487.5 Ų87.515%0.14548%0.481CS..  trans-95.2146.6171-600000110.5V58 I59 W68 L71 I91V58-V96 HydrophobicContact CB-CB 4.35Å; V58-V96 HydrophobicContact CB-CG2 4.47Å; V58-V96 HydrophobicContact CG1-CG2 4.38Å; I59-V96 WeakPolarHBondContact O-CA 3.02Å; W68-V96 HydrophobicContact CE3-CG2 4.4Å; W68-V96 HydrophobicContact CZ3-CG2 3.85Å; L71-V96 HydrophobicContact CD2-CG1 3.77Å; I91-V96 HydrophobicContact CD1-CG1 4.01Å; I91-V96 HydrophobicContact CG1-CG1 4.29Å
97I88.5Confident77.3Confident92 Ų9290.5 Ų90.547%0.47249%0.491SS..EExtended strand (participates in β ladder)trans-108.4114.1179.8-57.9174.9000107.7I59I59-I97 PolarHBondContact N-O 3.27Å; I59-I97 PolarHBondContact O-N 3.4Å
98P87.6Confident75.6Confident59 Ų5996.6 Ų96.638%0.38351%0.513SS..EExtended strand (participates in β ladder)trans-71.4136.3175.629.5-33.6000111V58 Y100V58-P98 HydrophobicContact CG1-CB 4.41Å; P98-Y100 HydrophobicContact CB-CE2 4.01Å; P98-Y100 HydrophobicContact CG-CE2 3.91Å
99L84.1Confident74Confident59 Ų5991.9 Ų91.931%0.30950%0.497SS..  trans-104.4110.8175.2-74.2-164.6000111.5F45 A57 I59 L65 G101F45-L99 HydrophobicContact CE1-CD1 4.27Å; A57-L99 HydrophobicContact CB-CB 4.31Å; A57-L99 PolarHBondContact O-N 3.03Å; I59-L99 HydrophobicContact CD1-CD1 3.51Å; I59-L99 HydrophobicContact CD1-CG 4.12Å; I59-L99 HydrophobicContact CG1-CD1 3.88Å; I59-L99 HydrophobicContact CG1-CG 4.13Å; L65-L99 HydrophobicContact CD1-CD1 3.98Å; L99-G101 VanDerWaalsContact C-N 3.35Å; L99-G101 PolarHBondContact O-N 3.48Å
100Y76.9Confident72.5Confident204 Ų20494.5 Ų94.580%0.851%0.51SS*.  trans-90.271.2171.4-54.5-69000110.2P98P98-Y100 HydrophobicContact CB-CE2 4.01Å; P98-Y100 HydrophobicContact CG-CE2 3.91Å
101G65.9Low71Confident23 Ų23100.8 Ų100.824%0.23751%0.513CS..  trans-77142.6-179.900000113.4L99 G103L99-G101 VanDerWaalsContact C-N 3.35Å; L99-G101 PolarHBondContact O-N 3.48Å; G101-G103 PolarHBondContact O-N 3.41Å
102R61.1Low69.6Low250 Ų250109.1 Ų109.194%0.94355%0.552SS**THydrogen-bonded Turntrans-70.27.5177.3-79.6-173.7165.8104-2.8115.4
103G54.3Low68.3Low45 Ų45119.3 Ų119.346%0.46459%0.588SS.*THydrogen-bonded Turntrans-1165.5-172.400000115.3G101 T105G101-G103 PolarHBondContact O-N 3.41Å; G103-T105 PolarHBondContact O-N 3.44Å
104S55.1Low67.2Low64 Ų64118.5 Ų118.545%0.44860%0.596SS.*  trans-76.6116.817451.20000110.3G106 Q107S104-G106 PolarHBondContact O-N 3.09Å; S104-Q107 PolarHBondContact O-N 3.48Å
105T56.7Low66.5Low138 Ų138116.5 Ų116.585%0.84760%0.595SS**THydrogen-bonded Turntrans-74.449.2-175450000113.4G103G103-T105 PolarHBondContact O-N 3.44Å
106G60.7Low65.4Low69 Ų69116.5 Ų116.571%0.71161%0.609SS**THydrogen-bonded Turntrans-156.54.7179.200000114.5S104 Q108S104-G106 PolarHBondContact O-N 3.09Å; G106-Q108 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact O-N 3.08Å
107Q54.7Low63.7Low133 Ų133126.3 Ų126.362%0.62164%0.643SS**  trans-75.293.9174.4-176.1172.349.800110.9S104 D109S104-Q107 PolarHBondContact O-N 3.48Å; Q107-D109 PolarHBondContact O-N 2.7Å
108Q55.9Low62.5Low184 Ų184127.3 Ų127.386%0.8666%0.655SS**  trans-64.4121.6154.4-69-178.416.700107.7G106 P110G106-Q108 PolarHBondContact O-N 3.23Å; G106-Q108 VanDerWaalsContact O-N 3.08Å; Q108-P110 VanDerWaalsContact O-CD 3.25Å; Q108-P110 WeakPolarHBondContact O-CD 3.49Å
109D57.4Low61.2Low70 Ų70133.6 Ų133.637%0.37468%0.68SS.*  trans-73.7116.1-174.7-170.2-19000110.5Q107 R111 E112Q107-D109 PolarHBondContact O-N 2.7Å; D109-R111 PolarHBondContact O-N 2.91Å; D109-R111 VanDerWaalsContact OD1-CB 3.24Å; D109-R111 WeakPolarHBondContact OD1-CB 3.09Å; D109-R111 VanDerWaalsContact OD1-CD 3.27Å; D109-R111 WeakPolarHBondContact OD1-CD 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 PolarHBondContact OD1-N 3.22Å; D109-R111 WeakPolarHBondContact OD2-CD 3.4Å; D109-R111 IonicContact OD2-NH1 3.78Å; D109-E112 PolarHBondContact O-N 2.57Å
110P57.3Low60.2Low92 Ų92134.3 Ų134.360%0.59770%0.701SS**G310 helixtrans-60.6-12.1179.5-23.335.6000114.3Q108 E112 R113 T114Q108-P110 VanDerWaalsContact O-CD 3.25Å; Q108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-E112 PolarHBondContact O-N 3.07Å; P110-R113 PolarHBondContact O-N 3.28Å; P110-T114 PolarHBondContact O-OG1 3.19Å
111R57.9Low59.4Low197 Ų197134 Ų13474%0.74371%0.707SS**G310 helixtrans-62.1-27.4176-67.7166.970.9-163.25113D109 R113 T114D109-R111 PolarHBondContact O-N 2.91Å; D109-R111 VanDerWaalsContact OD1-CB 3.24Å; D109-R111 WeakPolarHBondContact OD1-CB 3.09Å; D109-R111 VanDerWaalsContact OD1-CD 3.27Å; D109-R111 WeakPolarHBondContact OD1-CD 3.42Å; D109-R111 WeakPolarHBondContact OD1-CG 3.4Å; D109-R111 PolarHBondContact OD1-N 3.22Å; D109-R111 WeakPolarHBondContact OD2-CD 3.4Å; D109-R111 IonicContact OD2-NH1 3.78Å; R111-R113 PolarHBondContact O-N 2.88Å; R111-T114 PolarHBondContact O-N 3.18Å
112E60.4Low59.1Low188 Ų188142.9 Ų142.988%0.87973%0.734SS**G310 helixtrans-69.8-17.5177-62-165.1158.500113.6D109 P110D109-E112 PolarHBondContact O-N 2.57Å; P110-E112 PolarHBondContact O-N 3.07Å
113R60.2Low59.2Low229 Ų229136.5 Ų136.586%0.86472%0.724SS**G310 helixtrans-101.96.1-179.2-16948.2174.6-178-0.9114P110 R111P110-R113 PolarHBondContact O-N 3.28Å; R111-R113 PolarHBondContact O-N 2.88Å
114T60.2Low60.1Low97 Ų97143 Ų14360%0.59574%0.743SS**SBendtrans-106.8123.7-175.3-50.30000111.6P110 R111P110-T114 PolarHBondContact O-OG1 3.19Å; R111-T114 PolarHBondContact O-N 3.18Å
115P68.3Low60.5Low100 Ų100144.5 Ų144.565%0.64975%0.751SS**PPolyproline II helixtrans-64160.4175.327.6-34.7000111.9R117P115-R117 PolarHBondContact O-N 3.16Å
116P60.8Low61Low129 Ų129145.8 Ų145.884%0.83875%0.747SS**PPolyproline II helixtrans-55.1123.8-175.721.4-33.6000111.7
117R53.3Low61.1Low231 Ų231149.3 Ų149.387%0.87275%0.75SS**PPolyproline II helixtrans-62.2127.6-175.4-163.3-173.9-156.8104-0.1109.8P115 Q119P115-R117 PolarHBondContact O-N 3.16Å; R117-Q119 PolarHBondContact O-N 3.24Å
118P62.8Low61.2Low112 Ų112153.7 Ų153.773%0.72776%0.761SS**PPolyproline II helixtrans-58.9142171.925.3-33.5000109.7G120P118-G120 PolarHBondContact O-N 3.5Å
119Q61Low61Low192 Ų192148.2 Ų148.290%0.89775%0.753SS**PPolyproline II helixtrans-62.4124-177.7-68.1-176.3-3.500109.9R117 Q121R117-Q119 PolarHBondContact O-N 3.24Å; Q119-Q121 PolarHBondContact O-N 3.04Å; Q119-Q121 VanDerWaalsContact O-N 3.15Å
120G62.6Low60.4Low74 Ų74147.9 Ų147.976%0.76377%0.767SS**  trans-71.4108.5176.800000110.2P118 R122P118-G120 PolarHBondContact O-N 3.5Å; G120-R122 PolarHBondContact O-N 2.81Å
121Q60.8Low59.9Low196 Ų196151 Ų15192%0.91677%0.771SS**  trans-65.884163.2-75.2-178.9-32.500108.8Q119 P123Q119-Q121 PolarHBondContact O-N 3.04Å; Q119-Q121 VanDerWaalsContact O-N 3.15Å; Q121-P123 VanDerWaalsContact O-CD 3.23Å; Q121-P123 WeakPolarHBondContact O-CD 3.37Å
122R59.3Low59.8Low211 Ų211150.8 Ų150.880%0.79678%0.779SS**  trans-74.3112168.3177.8175-175.7167.53107G120 E124G120-R122 PolarHBondContact O-N 2.81Å; R122-E124 PolarHBondContact O-N 3.15Å
123P64.4Low59Low115 Ų115144.2 Ų144.275%0.74776%0.761SS**PPolyproline II helixtrans-58.2136165.826.2-33.2000108.3Q121Q121-P123 VanDerWaalsContact O-CD 3.23Å; Q121-P123 WeakPolarHBondContact O-CD 3.37Å
124E71.9Confident57.9Low182 Ų182142.9 Ų142.985%0.8576%0.762SS**PPolyproline II helixtrans-61140.4-178.7-156.8159.28700109.4R122 E126R122-E124 PolarHBondContact O-N 3.15Å; E124-E126 PolarHBondContact O-N 2.96Å
125P63.6Low56.9Low95 Ų95141.2 Ų141.262%0.61776%0.764SS**PPolyproline II helixtrans-61116.3-179.324.2-33.9000110.3N127P125-N127 PolarHBondContact O-N 3.42Å
126E67.8Low55.6Low165 Ų165146 Ų14677%0.77178%0.775SS**  trans-40.9110.3179.2-177.473.994.500111.2E124 R128E124-E126 PolarHBondContact O-N 2.96Å; E126-R128 HydrophobicContact CG-CG 4.06Å; E126-R128 PolarHBondContact O-N 2.97Å
127N62.2Low54.6Low144 Ų144143.1 Ų143.177%0.7777%0.769SS**  trans-76.881.9-178.8-169.1-24.9000109P125 G129P125-N127 PolarHBondContact O-N 3.42Å; N127-G129 PolarHBondContact O-N 3.01Å; N127-G129 PolarHBondContact OD1-N 3.23Å
128R57.8Low54.2Low224 Ų224140.3 Ų140.385%0.84577%0.771SS**  trans-68.871.6168.7-65.7-177.371.8103-3.4109.5E126 G130E126-R128 HydrophobicContact CG-CG 4.06Å; E126-R128 PolarHBondContact O-N 2.97Å; R128-G130 PolarHBondContact O-N 3.14Å
129G51.3Low53.5Low69 Ų69137.5 Ų137.571%0.71176%0.762SS**  trans-52.9124.5173.700000110.3N127N127-G129 PolarHBondContact O-N 3.01Å; N127-G129 PolarHBondContact OD1-N 3.23Å
130G45.3Very low53.1Low63 Ų63131.3 Ų131.365%0.64975%0.749SS**  trans-17126.6-164.800000115.5R128 Q132R128-G130 PolarHBondContact O-N 3.14Å; G130-Q132 PolarHBondContact O-N 3.03Å
131F45.8Very low52.1Low158 Ų158135.4 Ų135.469%0.69375%0.747SS**  trans-71.894.7168.8-179.3-102.9000109.9G133F131-G133 VanDerWaalsContact CZ-C 3.44Å; F131-G133 WeakPolarHBondContact CZ-O 3.31Å
132Q57Low51.7Low193 Ų193134.9 Ų134.990%0.90274%0.744SS**  trans-11276.9171.8-73.4-82.1-55.100107.7G130G130-Q132 PolarHBondContact O-N 3.03Å
133G42.5Very low51.2Low49 Ų49130.9 Ų130.951%0.50574%0.736SS.*SBendtrans-168.737.3-166.100000117.5F131F131-G133 VanDerWaalsContact CZ-C 3.44Å; F131-G133 WeakPolarHBondContact CZ-O 3.31Å
134F37.9Very low50.8Low201 Ų201131 Ų13188%0.88274%0.74SS**  trans42.485.4164-112.7-88.6000117.4
135G38.9Very low50Low62 Ų62132 Ų13264%0.63974%0.742SS**  trans-113.597.6164.500000111.1
136F40.3Very low49.5Very low202 Ų202130.3 Ų130.389%0.88674%0.742SS**  trans-79.6151.7154.9-117.9-97.5000108.4
137G39.5Very low48.8Very low68 Ų68131 Ų13170%0.70175%0.749SS**SBendtrans-73.6152-161.200000116.4
138D46.4Very low47.9Very low172 Ų172127.1 Ų127.192%0.9274%0.743SS**SBendtrans72.7154.1161.8-147.7-2.9000118
139G48Very low47.8Very low53 Ų53121.4 Ų121.455%0.54674%0.743SS.*  trans99.4-3.6159.600000120.7F141G139-F141 WeakPolarHBondContact O-CE1 3.23Å
140G52Low47.5Very low61 Ų61126 Ų12663%0.62974%0.744SS**  trans84.8-154.416800000117.2
141F42.3Very low48.1Very low160 Ų160128.2 Ų128.270%0.70275%0.747SS**  trans45.3103.8-177.344.7-102.7000118.6G139 M143G139-F141 WeakPolarHBondContact O-CE1 3.23Å; F141-M143 HydrophobicContact CB-CE 3.85Å; F141-M143 HydrophobicContact CB-SD 3.76Å; F141-M143 HydrophobicContact CD2-CE 3.72Å; F141-M143 HydrophobicContact CD2-SD 3.54Å; F141-M143 VanDerWaalsContact CD2-SD 3.54Å; F141-M143 HydrophobicContact CG-CE 3.9Å; F141-M143 HydrophobicContact CG-SD 4.01Å; F141-M143 PolarHBondContact O-N 3.05Å
142Q50.8Low48.5Very low186 Ų186128.6 Ų128.687%0.86975%0.749SS**  trans-85.185.1176.1-58.1-70.6-12.300111.6S144Q142-S144 PolarHBondContact O-N 2.9Å; Q142-S144 VanDerWaalsContact O-N 3.14Å
143M49.6Very low48.3Very low127 Ų127121.5 Ų121.563%0.62673%0.727SS**  trans-78.192172.3-73.380.5172.200111.6F141 F145F141-M143 HydrophobicContact CB-CE 3.85Å; F141-M143 HydrophobicContact CB-SD 3.76Å; F141-M143 HydrophobicContact CD2-CE 3.72Å; F141-M143 HydrophobicContact CD2-SD 3.54Å; F141-M143 VanDerWaalsContact CD2-SD 3.54Å; F141-M143 HydrophobicContact CG-CE 3.9Å; F141-M143 HydrophobicContact CG-SD 4.01Å; F141-M143 PolarHBondContact O-N 3.05Å; M143-F145 HydrophobicContact CB-CD2 4.25Å; M143-F145 HydrophobicContact CB-CE2 4.05Å; M143-F145 WeakPolarHBondContact O-CD2 3.47Å; M143-F145 PolarHBondContact O-N 3.38Å
144S56.5Low48.9Very low118 Ų118125.8 Ų125.883%0.82574%0.737SS**  trans-68.796.8169.6-58.80000111.2Q142 G146Q142-S144 PolarHBondContact O-N 2.9Å; Q142-S144 VanDerWaalsContact O-N 3.14Å; S144-G146 VanDerWaalsContact C-N 3.32Å; S144-G146 PolarHBondContact O-N 3.2Å
145F54.8Low49.3Very low202 Ų202124 Ų12489%0.88673%0.729SS**  trans-6983.8173.9-85.9-93.6000111.6M143M143-F145 HydrophobicContact CB-CD2 4.25Å; M143-F145 HydrophobicContact CB-CE2 4.05Å; M143-F145 WeakPolarHBondContact O-CD2 3.47Å; M143-F145 PolarHBondContact O-N 3.38Å
146G52.4Low49.6Very low60 Ų60125.5 Ų125.562%0.61974%0.735SS**  trans-128105.7175.100000111.7S144S144-G146 VanDerWaalsContact C-N 3.32Å; S144-G146 PolarHBondContact O-N 3.2Å
147I52.6Low50.2Low180 Ų180120 Ų12092%0.92372%0.718SS**SBendtrans67.3108.8173.2-49173.5000115.2
148G44.6Very low50.8Low62 Ų62120 Ų12064%0.63971%0.712SS**  trans98.881.8154.300000117.1F150G148-F150 PolarHBondContact O-N 2.93Å
149A54.8Low51Low104 Ų104120.2 Ų120.286%0.8671%0.705SS**  trans-75.768.8164.200000111.4
150F46.3Very low51.2Low166 Ų166123.4 Ų123.473%0.72871%0.709SS**SBendtrans-144.2136175.5-117.6-96000110.7G148 F152 G153G148-F150 PolarHBondContact O-N 2.93Å; F150-F152 PolarHBondContact O-N 2.87Å; F150-G153 PolarHBondContact O-N 3.28Å
151P56.9Low51.4Low109 Ų109126.4 Ų126.471%0.70871%0.71SS**THydrogen-bonded Turntrans-68.62.3-168.626.6-35.9000116.1
152F54.8Low51.6Low166 Ų166126.2 Ų126.273%0.72872%0.716SS**THydrogen-bonded Turntrans-111.63.7179.4-57-69.8000113.8F150 I154F150-F152 PolarHBondContact O-N 2.87Å; F152-I154 PolarHBondContact O-N 2.83Å
153G51.3Low51.6Low43 Ų43123.1 Ų123.144%0.44371%0.705SS.*THydrogen-bonded Turntrans-63.1-5.7-175.200000116.7F150 F155F150-G153 PolarHBondContact O-N 3.28Å; G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 3.45Å
154I56.2Low51.5Low139 Ų139120.3 Ų120.371%0.71371%0.709SS**THydrogen-bonded Turntrans-69.4-27.8-176.8-59.4178.3000112.2F152F152-I154 PolarHBondContact O-N 2.83Å
155F47.2Very low51.3Low165 Ų165125.8 Ų125.872%0.72471%0.712SS**THydrogen-bonded Turntrans-78.8-24.9-174.5-87-83.8000115.5G153 T157G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 3.45Å; F155-T157 VanDerWaalsContact C-N 3.33Å
156A45.2Very low51.6Low92 Ų92121 Ų12176%0.7670%0.701SS**THydrogen-bonded Turntrans-73.3-28.7179.200000112.6
157T51.1Low51.9Low86 Ų86123.5 Ų123.553%0.52871%0.706SS.*SBendtrans-84.3-17.6-170.8-47.20000112.9F155 I161F155-T157 VanDerWaalsContact C-N 3.33Å; T157-I161 HydrophobicContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact O-CD1 3.31Å; T157-I161 WeakPolarHBondContact O-CD1 3.3Å
158A53.7Low52.3Low70 Ų70121 Ų12158%0.57970%0.701SS**SBendtrans-87.8-13.2-166.300000115.9
159F50.7Low52.9Low175 Ų175119.5 Ų119.577%0.76868%0.683SS**SBendtrans-117.1-1.3-168.9-73.9-72.1000116.3
160N52.3Low53.3Low120 Ų120117.4 Ų117.464%0.64267%0.666SS**SBendtrans-155.471.5171.2-151-105.9000114
161I54.3Low53.7Low125 Ų125115.3 Ų115.364%0.64167%0.669SS**  trans-128.1-7.6176.6-74.2-169000114T157T157-I161 HydrophobicContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact CG2-CD1 3.48Å; T157-I161 VanDerWaalsContact O-CD1 3.31Å; T157-I161 WeakPolarHBondContact O-CD1 3.3Å
162N47.6Very low54.1Low156 Ų156114.1 Ų114.183%0.83468%0.677SS**SBendtrans-79.7-27.1174.9-168.682.3000113.5G164N162-G164 PolarHBondContact O-N 2.79Å
163D50.8Low54.9Low120 Ų120108.6 Ų108.664%0.64266%0.657SS**SBendtrans-7991.5176.6-68.6-63.2000110.2R165D163-R165 PolarHBondContact O-N 3.22Å
164G46.6Very low55.8Low68 Ų68111.1 Ų111.170%0.70167%0.665SS**  trans-56.9105.2-178.300000111.8N162 P166N162-G164 PolarHBondContact O-N 2.79Å; G164-P166 VanDerWaalsContact O-CD 3.3Å; G164-P166 WeakPolarHBondContact O-CD 3.21Å; G164-P166 VanDerWaalsContact O-N 3.12Å
165R53.4Low56.2Low233 Ų233111 Ų11188%0.87966%0.661SS**  trans-48.8115.3-178.6-174.2-179-173.8873.3110.6D163D163-R165 PolarHBondContact O-N 3.22Å
166P60.1Low57.2Low101 Ų101106 Ų10666%0.65664%0.641SS**PPolyproline II helixtrans-57.9147.9174.5-24.634.8000110.7G164G164-P166 VanDerWaalsContact O-CD 3.3Å; G164-P166 WeakPolarHBondContact O-CD 3.21Å; G164-P166 VanDerWaalsContact O-N 3.12Å
167P60Low58.7Low113 Ų113105.9 Ų105.973%0.73463%0.63SS**PPolyproline II helixtrans-56.8145.8169.126.8-34.2000109.3A169P167-A169 PolarHBondContact O-N 3Å
168P60.2Low59.9Low127 Ų127106.3 Ų106.383%0.82563%0.629SS**PPolyproline II helixtrans-54.5127.3-179.523.2-33.5000109.9A170P168-A170 PolarHBondContact O-N 2.94Å
169A58.1Low61Low31 Ų31108.8 Ų108.826%0.25663%0.629SS.*PPolyproline II helixtrans-55.1131.6-169.800000111.3P167 Q175 H176P167-A169 PolarHBondContact O-N 3Å; A169-Q175 HydrophobicContact CB-CB 4.5Å; A169-H176 HydrophobicContact CB-CB 4.2Å; A169-H176 PolarHBondContact O-CD2 3.41Å; A169-H176 VanDerWaalsContact O-CD2 3.28Å
170A61.8Low62.5Low61 Ų61104.9 Ų104.950%0.50461%0.613SS.*PPolyproline II helixtrans-60.5134.6-178.900000110.4P168 G172 T173P168-A170 PolarHBondContact O-N 2.94Å; A170-G172 PolarHBondContact O-N 3.23Å; A170-T173 HydrophobicContact CB-CG2 4.32Å; A170-T173 PolarHBondContact O-N 3.28Å; A170-T173 VanDerWaalsContact O-N 3.11Å; A170-T173 PolarHBondContact O-OG1 3.05Å
171P55.2Low64.2Low121 Ų121105.8 Ų105.879%0.78661%0.611SS**THydrogen-bonded Turntrans-53.4127.5178.8-28.335.8000112
172G65.3Low65.7Low84 Ų84104.4 Ų104.487%0.86661%0.605SS**THydrogen-bonded Turntrans98.6-2.4-176.100000115.5A170A170-G172 PolarHBondContact O-N 3.23Å
173T71.3Confident67.5Low51 Ų5199.9 Ų99.931%0.31359%0.586SS.*SBendtrans-82.1146.6168.455.10000111.6A170 Q175 H176A170-T173 HydrophobicContact CB-CG2 4.32Å; A170-T173 PolarHBondContact O-N 3.28Å; A170-T173 VanDerWaalsContact O-N 3.11Å; A170-T173 PolarHBondContact O-OG1 3.05Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 3.19Å; T173-H176 WeakPolarHBondContact O-CB 3.35Å; T173-H176 PolarHBondContact O-N 3.28Å
174P70.4Confident69.3Low95 Ų95102.9 Ų102.962%0.61759%0.588SS**Hα-helixtrans-63.4-30.6-177.324.3-33.9000113.2H176 T177 D178P174-H176 PolarHBondContact O-N 2.95Å; P174-T177 PolarHBondContact O-N 3.2Å; P174-T177 PolarHBondContact O-OG1 3.29Å; P174-D178 PolarHBondContact O-N 3.28Å
175Q63.9Low71.6Confident136 Ų136103.6 Ų103.664%0.63658%0.575SS**Hα-helixtrans-58.7-32.7173.5-62.6-172.7-68.800111.9A169 T173 T177 D178 E179A169-Q175 HydrophobicContact CB-CB 4.5Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 3.19Å; Q175-T177 VanDerWaalsContact C-N 3.31Å; Q175-T177 PolarHBondContact O-N 2.76Å; Q175-D178 PolarHBondContact O-N 3.36Å; Q175-E179 WeakPolarHBondContact O-CB 3.27Å; Q175-E179 VanDerWaalsContact O-CG 3.27Å; Q175-E179 WeakPolarHBondContact O-CG 3.48Å; Q175-E179 PolarHBondContact O-N 2.99Å
176H69.1Low73.5Confident62 Ų6299.9 Ų99.929%0.28757%0.566SS.*Hα-helixtrans-68.8-28.8178.3-159.2-28.7000112.4A169 T173 P174 Q180A169-H176 HydrophobicContact CB-CB 4.2Å; A169-H176 PolarHBondContact O-CD2 3.41Å; A169-H176 VanDerWaalsContact O-CD2 3.28Å; T173-H176 WeakPolarHBondContact O-CB 3.35Å; T173-H176 PolarHBondContact O-N 3.28Å; P174-H176 PolarHBondContact O-N 2.95Å; H176-Q180 PolarHBondContact CE1-NE2 2.9Å; H176-Q180 WeakPolarHBondContact O-CG 3.48Å; H176-Q180 PolarHBondContact O-N 3.48Å
177T76.7Confident75Confident88 Ų88100.4 Ų100.454%0.5456%0.562SS.*Hα-helixtrans-73.4-37.5170.931.10000112.3P174 Q175 Q180 F181P174-T177 PolarHBondContact O-N 3.2Å; P174-T177 PolarHBondContact O-OG1 3.29Å; Q175-T177 VanDerWaalsContact C-N 3.31Å; Q175-T177 PolarHBondContact O-N 2.76Å; T177-Q180 PolarHBondContact O-N 2.67Å; T177-F181 PolarHBondContact O-N 2.9Å
178D76.8Confident76.6Confident95 Ų95101.5 Ų101.551%0.50856%0.556SS.*Hα-helixtrans-67-45.4178-58.9-35.8000111.3P174 Q175 Q180 F181 L182P174-D178 PolarHBondContact O-N 3.28Å; Q175-D178 PolarHBondContact O-N 3.36Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.46Å; D178-F181 WeakPolarHBondContact O-CB 3.39Å; D178-F181 PolarHBondContact O-N 2.88Å; D178-F181 VanDerWaalsContact O-N 3.07Å; D178-L182 WeakPolarHBondContact O-CG 3.38Å; D178-L182 PolarHBondContact O-N 3.5Å
179E76.5Confident78.3Confident123 Ų12399 Ų9958%0.57554%0.538SS*.Hα-helixtrans-59.1-38.1173.8-70.4-68.1147.400112.4Q175 S183Q175-E179 WeakPolarHBondContact O-CB 3.27Å; Q175-E179 VanDerWaalsContact O-CG 3.27Å; Q175-E179 WeakPolarHBondContact O-CG 3.48Å; Q175-E179 PolarHBondContact O-N 2.99Å; E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 3.07Å; E179-S183 PolarHBondContact O-OG 3.01Å
180Q81.9Confident79.9Confident93 Ų9399.7 Ų99.744%0.43554%0.544SS..Hα-helixtrans-70.5-30.1174.7-78.6-175.56.500113H176 T177 D178 S183 R184H176-Q180 PolarHBondContact CE1-NE2 2.9Å; H176-Q180 WeakPolarHBondContact O-CG 3.48Å; H176-Q180 PolarHBondContact O-N 3.48Å; T177-Q180 PolarHBondContact O-N 2.67Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.46Å; Q180-S183 WeakPolarHBondContact CA-OG 3.35Å; Q180-S183 PolarHBondContact O-OG 3.36Å; Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 WeakPolarHBondContact O-CD 3.33Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.35Å
181F87.2Confident81.5Confident138 Ų138102.4 Ų102.461%0.60555%0.549SS*.Hα-helixtrans-72.6-48.9172.9-177.7-97.1000111.2T177 D178 S183 R184 L185T177-F181 PolarHBondContact O-N 2.9Å; D178-F181 WeakPolarHBondContact O-CB 3.39Å; D178-F181 PolarHBondContact O-N 2.88Å; D178-F181 VanDerWaalsContact O-N 3.07Å; F181-S183 PolarHBondContact O-N 3.33Å; F181-R184 PolarHBondContact O-N 2.7Å; F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 2.99Å
182L87.3Confident83.4Confident96 Ų96100.3 Ų100.350%0.50353%0.534SS..Hα-helixtrans-60.5-45.3-179.8-70.6169.2000112.3D178 R184 L185 F186D178-L182 WeakPolarHBondContact O-CG 3.38Å; D178-L182 PolarHBondContact O-N 3.5Å; L182-R184 PolarHBondContact O-N 2.86Å; L182-L185 PolarHBondContact O-N 3.28Å; L182-F186 WeakPolarHBondContact O-CB 3.39Å; L182-F186 PolarHBondContact O-N 3.27Å
183S84.9Confident84.7Confident62 Ų62101.5 Ų101.543%0.43452%0.518SS..Hα-helixtrans-64-39.6177.351.60000113E179 Q180 F181 L187E179-S183 WeakPolarHBondContact O-CB 3.46Å; E179-S183 PolarHBondContact O-N 3.07Å; E179-S183 PolarHBondContact O-OG 3.01Å; Q180-S183 WeakPolarHBondContact CA-OG 3.35Å; Q180-S183 PolarHBondContact O-OG 3.36Å; F181-S183 PolarHBondContact O-N 3.33Å; S183-L187 WeakPolarHBondContact O-CG 3.33Å; S183-L187 PolarHBondContact O-N 3.14Å; S183-L187 VanDerWaalsContact O-N 3.11Å
184R89.4Confident85.7Confident183 Ų183104.6 Ų104.669%0.69153%0.531SS*.Hα-helixtrans-66.1-43.3173.7-73.8175-179.2-167.11.9112.3Q180 F181 L182 L187 F188Q180-R184 WeakPolarHBondContact O-CB 3.47Å; Q180-R184 WeakPolarHBondContact O-CD 3.33Å; Q180-R184 VanDerWaalsContact O-CG 3.22Å; Q180-R184 WeakPolarHBondContact O-CG 3.34Å; Q180-R184 PolarHBondContact O-N 3.35Å; F181-R184 PolarHBondContact O-N 2.7Å; L182-R184 PolarHBondContact O-N 2.86Å; R184-L187 PolarHBondContact O-N 3.4Å; R184-F188 WeakPolarHBondContact O-CB 3.47Å; R184-F188 PolarHBondContact O-N 2.94Å
185L94.4Very high86.9Confident83 Ų83106.8 Ų106.844%0.43553%0.531SS..Hα-helixtrans-63-45177.8-179.762.5000111.3F181 L182 F188 V189F181-L185 HydrophobicContact CE1-CD2 4.13Å; F181-L185 WeakPolarHBondContact O-CB 3.38Å; F181-L185 PolarHBondContact O-N 2.99Å; L182-L185 PolarHBondContact O-N 3.28Å; L185-F188 PolarHBondContact O-N 3.11Å; L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.42Å; L185-V189 PolarHBondContact O-N 3.45Å
186F92.8Very high88.4Confident154 Ų154108.3 Ų108.368%0.67553%0.531SS*.Hα-helixtrans-62.2-45.6178.2-175.5-97.9000112.1L182 F188 V189 A190L182-F186 WeakPolarHBondContact O-CB 3.39Å; L182-F186 PolarHBondContact O-N 3.27Å; F186-F188 VanDerWaalsContact C-N 3.34Å; F186-F188 PolarHBondContact O-N 3.18Å; F186-V189 PolarHBondContact O-N 3.3Å; F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.23Å
187L90.9Very high89.4Confident112 Ų112110.8 Ų110.859%0.58655%0.545SS*.Hα-helixtrans-62.4-39.4175.4-72.3171.6000112.3S183 R184 A190 L191S183-L187 WeakPolarHBondContact O-CG 3.33Å; S183-L187 PolarHBondContact O-N 3.14Å; S183-L187 VanDerWaalsContact O-N 3.11Å; R184-L187 PolarHBondContact O-N 3.4Å; L187-A190 PolarHBondContact O-N 3.49Å; L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.37Å
188F94.9Very high89.9Confident137 Ų137112.6 Ų112.660%0.60155%0.551SS**Hα-helixtrans-63.2-48.1175.4-179.9-97.6000112R184 L185 F186 A190 L191 V192R184-F188 WeakPolarHBondContact O-CB 3.47Å; R184-F188 PolarHBondContact O-N 2.94Å; L185-F188 PolarHBondContact O-N 3.11Å; F186-F188 VanDerWaalsContact C-N 3.34Å; F186-F188 PolarHBondContact O-N 3.18Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 3.48Å; F188-L191 PolarHBondContact O-N 2.98Å; F188-V192 HydrophobicContact CD1-CG2 4.34Å; F188-V192 HydrophobicContact CE1-CG2 3.94Å; F188-V192 HydrophobicContact CE2-CG2 4.41Å; F188-V192 HydrophobicContact CZ-CG2 3.98Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 3.31Å
189V95.1Very high90.4Very high74 Ų74113.7 Ų113.745%0.44856%0.556SS.*Hα-helixtrans-61.9-42.3177.2172.40000111.2L185 F186 L191 V192 M193L185-V189 HydrophobicContact CD1-CG2 4.43Å; L185-V189 WeakPolarHBondContact O-CG2 3.42Å; L185-V189 PolarHBondContact O-N 3.45Å; F186-V189 PolarHBondContact O-N 3.3Å; V189-L191 PolarHBondContact O-N 2.99Å; V189-V192 PolarHBondContact O-N 3.46Å; V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 2.91Å
190A93.1Very high90.3Very high46 Ų46113.9 Ų113.938%0.3858%0.578SS.*Hα-helixtrans-61.1-43.8176.700000112.2F186 L187 F188 M193 M194F186-A190 WeakPolarHBondContact O-CB 3.39Å; F186-A190 PolarHBondContact O-N 3.23Å; L187-A190 PolarHBondContact O-N 3.49Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 3.48Å; A190-M193 PolarHBondContact O-N 3.39Å; A190-M194 WeakPolarHBondContact O-CB 3.32Å; A190-M194 PolarHBondContact O-N 3Å
191L94.3Very high90.7Very high118 Ų118114.9 Ų114.962%0.61859%0.585SS**Hα-helixtrans-64.4-40.9175.8-72.8170.5000112.3L187 F188 V189 M194 F195L187-L191 WeakPolarHBondContact O-CB 3.46Å; L187-L191 VanDerWaalsContact O-CG 3.3Å; L187-L191 WeakPolarHBondContact O-CG 3.34Å; L187-L191 PolarHBondContact O-N 3.37Å; F188-L191 PolarHBondContact O-N 2.98Å; V189-L191 PolarHBondContact O-N 2.99Å; L191-M194 PolarHBondContact O-N 3.48Å; L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.01Å
192V95.2Very high90.9Very high76 Ų76113.7 Ų113.746%0.46158%0.584SS.*Hα-helixtrans-62.6-44.5175.61700000111.2F188 V189 F195 W196F188-V192 HydrophobicContact CD1-CG2 4.34Å; F188-V192 HydrophobicContact CE1-CG2 3.94Å; F188-V192 HydrophobicContact CE2-CG2 4.41Å; F188-V192 HydrophobicContact CZ-CG2 3.98Å; F188-V192 WeakPolarHBondContact O-CG2 3.3Å; F188-V192 PolarHBondContact O-N 3.31Å; V189-V192 PolarHBondContact O-N 3.46Å; V192-F195 PolarHBondContact O-N 3.34Å; V192-W196 WeakPolarHBondContact O-CB 3.22Å; V192-W196 PolarHBondContact O-N 2.97Å
193M92.4Very high91.1Very high110 Ų110114.7 Ų114.754%0.54259%0.589SS.*Hα-helixtrans-66.2-39.9176.4-69.9-157.875.100112.6V189 A190 W196 L197V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 2.91Å; A190-M193 PolarHBondContact O-N 3.39Å; M193-W196 PolarHBondContact O-N 3.11Å; M193-L197 WeakPolarHBondContact O-CB 3.48Å; M193-L197 WeakPolarHBondContact O-CG 3.29Å; M193-L197 PolarHBondContact O-N 3.27Å
194M92.8Very high91.5Very high116 Ų116117.8 Ų117.857%0.57160%0.598SS**Hα-helixtrans-69.2-35.1178.8-151.7-157.194.200112.2A190 L191 L198A190-M194 WeakPolarHBondContact O-CB 3.32Å; A190-M194 PolarHBondContact O-N 3Å; L191-M194 PolarHBondContact O-N 3.48Å; M194-L198 HydrophobicContact CE-CD1 3.59Å; M194-L198 HydrophobicContact CE-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CG 3.41Å; M194-L198 PolarHBondContact O-N 2.92Å
195F95.6Very high91.6Very high141 Ų141113.7 Ų113.762%0.61859%0.592SS**Hα-helixtrans-67.8-40.2173-178.9-105.4000111.9L191 V192 L198 I199L191-F195 VanDerWaalsContact O-CB 3.29Å; L191-F195 WeakPolarHBondContact O-CB 3.39Å; L191-F195 PolarHBondContact O-N 3.01Å; V192-F195 PolarHBondContact O-N 3.34Å; F195-L198 PolarHBondContact O-N 3.5Å; F195-I199 HydrophobicContact CD1-CD1 4.01Å; F195-I199 HydrophobicContact CD2-CD1 4.16Å; F195-I199 HydrophobicContact CE1-CD1 3.52Å; F195-I199 HydrophobicContact CE2-CD1 3.69Å; F195-I199 HydrophobicContact CG-CD1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.35Å
196W94.6Very high91.4Very high168 Ų168115.7 Ų115.764%0.63660%0.603SS**Hα-helixtrans-62.6-43.7174.7-171.976.9000111.9V192 M193 L198 I199 A200V192-W196 WeakPolarHBondContact O-CB 3.22Å; V192-W196 PolarHBondContact O-N 2.97Å; M193-W196 PolarHBondContact O-N 3.11Å; W196-L198 PolarHBondContact O-N 3.42Å; W196-I199 PolarHBondContact O-N 3.36Å; W196-A200 PolarHBondContact O-N 3.19Å; W196-A200 VanDerWaalsContact O-N 3.14Å
197L90.3Very high91.3Very high113 Ų113113 Ų11359%0.59260%0.598SS**THydrogen-bonded Turntrans-70-5.3174.7-70.7171.3000115M193M193-L197 WeakPolarHBondContact O-CB 3.48Å; M193-L197 WeakPolarHBondContact O-CG 3.29Å; M193-L197 PolarHBondContact O-N 3.27Å
198L87.6Confident91.3Very high126 Ų126113.1 Ų113.166%0.6660%0.598SS**THydrogen-bonded Turntrans-100.4-4.1172.7-80.3173.8000113.3M194 F195 W196M194-L198 HydrophobicContact CE-CD1 3.59Å; M194-L198 HydrophobicContact CE-CG 4.48Å; M194-L198 WeakPolarHBondContact O-CG 3.41Å; M194-L198 PolarHBondContact O-N 2.92Å; F195-L198 PolarHBondContact O-N 3.5Å; W196-L198 PolarHBondContact O-N 3.42Å
199I86.8Confident91Very high119 Ų119111.1 Ų111.161%0.6160%0.598SS**THydrogen-bonded Turntrans-122.2-17.7-174.7-68.4174.3000111.9F195 W196F195-I199 HydrophobicContact CD1-CD1 4.01Å; F195-I199 HydrophobicContact CD2-CD1 4.16Å; F195-I199 HydrophobicContact CE1-CD1 3.52Å; F195-I199 HydrophobicContact CE2-CD1 3.69Å; F195-I199 HydrophobicContact CG-CD1 4.31Å; F195-I199 HydrophobicContact CZ-CD1 3.35Å; W196-I199 PolarHBondContact O-N 3.36Å
200A74.7Confident90.7Very high126 Ų126114.5 Ų114.5100%1.04161%0.612SS**  trans-90.70171.800000112.3W196W196-A200 PolarHBondContact O-N 3.19Å; W196-A200 VanDerWaalsContact O-N 3.14Å

Retrieved 200 of 200 residues in 112.4 ms (Link to these results)