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RING-box protein 2

Catalytic component of multiple cullin-5-RING E3 ubiquitin-protein ligase complexes (ECS complexes), which mediate the ubiquitination and subsequent proteasomal degradation of target proteins1,2,3,4,5,6. It is thereby involved in various biological processes, such as cell cycle progression, signal transduction and transcription7,8,9,10. The functional specificity of the E3 ubiquitin-protein ligase ECS complexes depend on the variable SOCS box-containing substrate recognition component11,12. Within ECS complexes, RNF7/RBX2 recruits the E2 ubiquitination enzyme to the complex via its RING-type and brings it into close proximity to the substrate13. Catalytic subunit of various SOCS-containing ECS complexes, such as the ECS(SOCS7) complex, that regulate reelin signaling by mediating ubiquitination and degradation of DAB1 (By similarity). The ECS(SOCS2) complex mediates the ubiquitination and subsequent proteasomal degradation of phosphorylated EPOR and GHR14,15. Promotes ubiquitination and degradation of NF1, thereby regulating Ras protein signal transduction (By similarity). As part of the ECS(ASB9) complex, catalyzes ubiquitination and degradation of CKB16. The ECS(SPSB3) complex catalyzes ubiquitination of nuclear CGAS17. As part of the ECS(RAB40C) complex, mediates ANKRD28 ubiquitination and degradation, thereby inhibiting protein phosphatase 6 (PP6) complex activity and focal adhesion assembly during cell migration18. The ECS(ASB7) complex acts a negative regulator of H3K9me3 histone mark by mediating ubiquitination and degradation of SUV39H119. As part of some ECS complex, catalyzes 'Lys-11'-linked ubiquitination and degradation of BTRC20. ECS complexes and ARIH2 collaborate in tandem to mediate ubiquitination of target proteins; ARIH2 mediating addition of the first ubiquitin on CRLs targets21,22. Specifically catalyzes the neddylation of CUL5 via its interaction with UBE2F23. Does not catalyze neddylation of other cullins (CUL1, CUL2, CUL3, CUL4A or CUL4B)24. May play a role in protecting cells from apoptosis induced by redox agents25. Inactive. (Microbial infection) Following infection by HIV-1 virus, catalytic component of a cullin-5-RING E3 ubiquitin-protein ligase complex (ECS complex) hijacked by the HIV-1 Vif protein, which catalyzes ubiquitination and degradation of APOBEC3F and APOBEC3G.

AlphaFold DB , UniProt , Accession Q9UBF6, Species HUMAN (Homo sapiens, Human), Gene RNF7, Length 113 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54Low60Low240 Ų240151 Ų151100%1.18285%0.854SS**  01080-76.7161.9170.700105.5
2A65.6Low58.4Low95 Ų95146.9 Ų146.979%0.78585%0.854SS**  trans-119109.5175.500000105.9
3D57.9Low57.8Low158 Ų158148.3 Ų148.385%0.84585%0.854SS**  trans-76.1119.6172.8-62.5-82.8000107.8
4V73.7Confident57.3Low136 Ų136143.6 Ų143.682%0.82484%0.842SS**  trans-111.6114.6170.9169.70000106.9
5E69.6Low56.4Low190 Ų190141.6 Ų141.689%0.88884%0.839SS**  trans-73.2128.5172.2-68.6175.387.200109.5
6D61.9Low55.8Low133 Ų133144.8 Ų144.871%0.71184%0.842SS**  trans-80113.3-174.9-171.3-118.1000110.4
7G66Low55.2Low67 Ų67143.9 Ų143.969%0.69185%0.846SS**  trans-91.7114.4170.100000110.4E9G7-E9 PolarHBondContact O-N 3.31Å; G7-E9 VanDerWaalsContact O-N 3.12Å
8E57.4Low54.7Low182 Ų182140.1 Ų140.185%0.8584%0.842SS**  trans-7290.8179.238.1170.27000112.5
9E57.2Low54.3Low191 Ų191138.4 Ų138.489%0.89384%0.837SS**  trans-102.4113.9164.3-82.2-17275.600111G7G7-E9 PolarHBondContact O-N 3.31Å; G7-E9 VanDerWaalsContact O-N 3.12Å
10T50.1Low53.8Low141 Ų141137.5 Ų137.587%0.86584%0.837SS**  trans-93.4106.2178.148.90000110.7A12T10-A12 PolarHBondContact O-N 2.86Å
11C46.2Very low53.6Low128 Ų128134.1 Ų134.187%0.86583%0.831SS**  trans-71.3114.4170.2-84.90000111
12A40.8Very low53.3Low102 Ų102128 Ų12884%0.84381%0.811SS**  trans-78116.4171.100000110.6T10T10-A12 PolarHBondContact O-N 2.86Å
13L51.7Low52.4Low165 Ų165134.1 Ų134.186%0.86482%0.82SS**  trans-112.1111168.5-75.9169.7000111
14A50.8Low52.3Low82 Ų82131.4 Ų131.468%0.67881%0.814SS**  trans4691.2143.900000119.7
15S42.8Very low51.5Low114 Ų114129 Ų12980%0.79782%0.816SS**  10.1107.8128.7-46.60000119.1
16H47.6Very low51.2Low193 Ų193123 Ų12389%0.89481%0.806SS**  trans-119.9120.2143.5-87.2-85.2000109.5
17S45.6Very low51.7Low130 Ų130124.3 Ų124.391%0.90981%0.813SS**  trans-68.9125-176.7-42.10000111.9
18G46.2Very low52.3Low75 Ų75130.2 Ų130.277%0.77382%0.82SS**  trans-168.485.3177.500000113.9
19S47.6Very low53.4Low107 Ų107129.3 Ų129.375%0.74882%0.817SS**  trans35.9112150.2-148.10000121.5
20S43.4Very low54.9Low120 Ų120128.6 Ų128.684%0.83981%0.812SS**  47.986.4124.5-31.20000118.6
21G48.7Very low56.7Low68 Ų68126 Ų12670%0.70180%0.799SS**  trans-156.1101.7170.300000112.4
22S48.6Very low58.7Low111 Ų111126.5 Ų126.578%0.77679%0.792SS**  trans17.5119.8151.741.90000119.4S24S22-S24 PolarHBondContact O-N 2.77Å
23K46.4Very low61.2Low223 Ų223130.9 Ų130.997%0.9779%0.792SS**  trans-47.597161.7-64.3170.1175.8173.90111.8
24S56.8Low63.1Low102 Ų102130.6 Ų130.671%0.71378%0.784SS**  trans-121.1125.7158.852.80000106.8S22 G26S22-S24 PolarHBondContact O-N 2.77Å; S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 3.33Å
25G56.9Low65.2Low85 Ų85135 Ų13588%0.87678%0.783SS**  trans-52.893.6-177.900000111.2D27G25-D27 PolarHBondContact O-N 3.1Å; G25-D27 VanDerWaalsContact O-N 3.15Å
26G63.3Low67.5Low65 Ų65135.5 Ų135.567%0.6778%0.777SS**  trans-81.490.4174.700000107.4S24 K28S24-G26 VanDerWaalsContact C-N 3.33Å; S24-G26 PolarHBondContact O-N 3.33Å; G26-K28 PolarHBondContact O-N 3.47Å
27D72.5Confident69.7Low160 Ų160129.5 Ų129.586%0.85676%0.761SS**  trans-48.8116.4161.6-86.5-43.4000107.3G25 M29G25-D27 PolarHBondContact O-N 3.1Å; G25-D27 VanDerWaalsContact O-N 3.15Å; D27-M29 PolarHBondContact O-N 3.33Å
28K78.9Confident72Confident191 Ų191130.1 Ų130.183%0.8376%0.759SS**  trans-55.8115.1179.8-68.5179.5179177.40107.6G26 F30G26-K28 PolarHBondContact O-N 3.47Å; K28-F30 PolarHBondContact O-N 2.95Å
29M80.5Confident74.3Confident163 Ų163131 Ų13180%0.80376%0.758SS**SBendtrans-55.9-29.2-170.9-176.9156.386.400113.6D27D27-M29 PolarHBondContact O-N 3.33Å
30F87.8Confident76.3Confident176 Ų176134.9 Ų134.977%0.77277%0.767SS**  trans-132.7131.6173.5-60.9-71.5000110.1K28K28-F30 PolarHBondContact O-N 2.95Å
31S87.4Confident78.4Confident85 Ų85138.8 Ų138.859%0.59476%0.763SS**  trans-113.4120.1167.8630000108.5K33S31-K33 PolarHBondContact O-N 3.34Å; S31-K33 VanDerWaalsContact O-N 3.16Å
32L89.1Confident79.7Confident139 Ų139140.5 Ų140.573%0.72877%0.765SS**  trans-65.4113.1168.5-174.166.9000107.8W35L32-W35 HydrophobicContact CD1-CB 4.25Å; L32-W35 HydrophobicContact CD2-CB 4.09Å; L32-W35 HydrophobicContact CG-CB 4.42Å
33K91.8Very high80.8Confident194 Ų194142.9 Ų142.984%0.84376%0.757SS**  trans-88.6-38.1-178.9-70.2-174.8176.2-179.70112.6S31S31-K33 PolarHBondContact O-N 3.34Å; S31-K33 VanDerWaalsContact O-N 3.16Å
34K92.9Very high82.1Confident160 Ų160140.3 Ų140.370%0.69675%0.754SS**  trans-158.9135.1-179.6-171.9173.3-174.1174.90108.2N36K34-N36 VanDerWaalsContact CE-OD1 3.32Å; K34-N36 WeakPolarHBondContact CE-OD1 3.39Å
35W93.7Very high82.8Confident175 Ų175137.3 Ų137.366%0.66373%0.731SS**  trans-123.9130.9171.2-173.831.6000108.3L32 A37L32-W35 HydrophobicContact CD1-CB 4.25Å; L32-W35 HydrophobicContact CD2-CB 4.09Å; L32-W35 HydrophobicContact CG-CB 4.42Å; W35-A37 HydrophobicContact CD2-CB 4.24Å; W35-A37 HydrophobicContact CH2-CB 4.25Å; W35-A37 HydrophobicContact CZ2-CB 3.81Å
36N92Very high83.5Confident123 Ų123140.7 Ų140.766%0.65872%0.724SS**  trans-11691.5169.6-54-77.5000106.3K34K34-N36 VanDerWaalsContact CE-OD1 3.32Å; K34-N36 WeakPolarHBondContact CE-OD1 3.39Å
37A93.1Very high83.9Confident67 Ų67140 Ų14055%0.55471%0.708SS**  trans-73.5135.2176.900000109.8W35W35-A37 HydrophobicContact CD2-CB 4.24Å; W35-A37 HydrophobicContact CH2-CB 4.25Å; W35-A37 HydrophobicContact CZ2-CB 3.81Å
38V94.1Very high84.5Confident144 Ų144136.7 Ų136.787%0.87369%0.691SS**  trans-112.4124.4168.1179.80000106.6
39A94Very high85.2Confident92 Ų92130.6 Ų130.676%0.7667%0.67SS**  trans-122.7149.4176.600000109.8
40M89.7Confident85.8Confident189 Ų189122.9 Ų122.993%0.93163%0.631SS**  trans-102.6139.3163.2-61.9-177-64.300107
41W87.7Confident86.1Confident202 Ų202115.7 Ų115.777%0.76561%0.605SS**  trans-108.1148.7171.865.2-86.6000108.9W43W41-W43 HydrophobicContact CZ3-CD2 4.33Å; W41-W43 AromaticContact CZ3-CE2 3.93Å; W41-W43 HydrophobicContact CZ3-CZ2 4.17Å
42S76.2Confident86.4Confident104 Ų104114.3 Ų114.373%0.72759%0.59SS**  trans-133.2164.7166.261.40000107.9
43W71.3Confident86.7Confident161 Ų161108.6 Ų108.661%0.6156%0.562SS**  trans-65.3136.9166.5-64.1110.4000109.2W41 V45W41-W43 HydrophobicContact CZ3-CD2 4.33Å; W41-W43 AromaticContact CZ3-CE2 3.93Å; W41-W43 HydrophobicContact CZ3-CZ2 4.17Å; W43-V45 HydrophobicContact CB-CG2 3.96Å; W43-V45 PolarHBondContact O-N 3.32Å
44D74.4Confident86.8Confident169 Ų169108.8 Ų108.890%0.90456%0.557SS**  trans-79.475171.9-174.324.5000108.9
45V72.7Confident86.9Confident40 Ų40102.1 Ų102.124%0.24253%0.53CS..  trans-135128.1-178.8-177.10000108W43 C47 S83W43-V45 HydrophobicContact CB-CG2 3.96Å; W43-V45 PolarHBondContact O-N 3.32Å; V45-C47 WeakPolarHBondContact CG1-O 3.39Å; V45-C47 PolarHBondContact O-N 2.96Å; V45-S83 WeakPolarHBondContact CG1-OG 3.39Å
46E70.6Confident86.9Confident156 Ų15699 Ų9973%0.72952%0.523SS*.SBendtrans-65.4-27.1179.3-67-175.7165.100112.5H82E46-H82 IonicContact OE2-CD2 2.77Å; E46-H82 IonicContact OE2-NE2 3.35Å; E46-H82 PolarHBondContact OE2-NE2 3.27Å
47C72.6Confident86.9Confident50 Ų5093.6 Ų93.634%0.33849%0.494SS..  trans-144.1106.7-174-74.30000112.4V45 T49 S83V45-C47 WeakPolarHBondContact CG1-O 3.39Å; V45-C47 PolarHBondContact O-N 2.96Å; C47-T49 PolarHBondContact O-N 3.46Å; C47-S83 PolarHBondContact O-OG 3.04Å
48D84.6Confident86.7Confident90 Ų9097 Ų9748%0.48150%0.5SS..SBendtrans-75.80.3173.8-62.2-20.5000113.4Q56 V57D48-Q56 CarbonylContact O-C 3.51Å; D48-Q56 VanDerWaalsContact O-CA 3.23Å; D48-Q56 WeakPolarHBondContact O-CA 3.45Å; D48-V57 PolarHBondContact O-N 2.94Å
49T92.1Very high86.6Confident64 Ų6494 Ų9439%0.39348%0.479SS..BIsolated β-bridgetrans-116.7128.3-178.8-55.60000110.6C47 A51C47-T49 PolarHBondContact O-N 3.46Å; T49-A51 PolarHBondContact O-N 2.95Å; T49-A51 VanDerWaalsContact O-N 3.11Å
50C94.4Very high86.6Confident0 Ų090.2 Ų90.20%045%0.448CS..  trans-66.3112.9174.3177.60000109.5I52 C53 R54 V55 V57 H85C50-I52 PolarHBondContact O-N 2.94Å; C50-C53 PolarHBondContact O-N 3.42Å; C50-R54 VanDerWaalsContact O-CA 3.28Å; C50-R54 WeakPolarHBondContact O-CA 3.36Å; C50-R54 PolarHBondContact O-N 2.84Å; C50-V55 PolarHBondContact N-O 2.97Å; C50-V57 HydrophobicContact CB-CG2 4.12Å; C50-H85 WeakPolarHBondContact CB-ND1 3.32Å
51A93.7Very high86.8Confident26 Ų2681.2 Ų81.222%0.21540%0.404CS..THydrogen-bonded Turntrans-62.4-19-175.900000114.1T49 R54 F84 L101T49-A51 PolarHBondContact O-N 2.95Å; T49-A51 VanDerWaalsContact O-N 3.11Å; A51-R54 PolarHBondContact O-NE 3.02Å; A51-F84 HydrophobicContact CB-CE1 4Å; A51-L101 HydrophobicContact CB-CD2 3.97Å; A51-L101 HydrophobicContact CB-CG 4.37Å
52I94.5Very high87.2Confident55 Ų5576.4 Ų76.428%0.28239%0.393SS..THydrogen-bonded Turntrans-80.6-49.3-179-58.6166.3000111.2C50 F84 C88 M89 W92 P100C50-I52 PolarHBondContact O-N 2.94Å; I52-F84 HydrophobicContact CD1-CD1 4Å; I52-F84 HydrophobicContact CD1-CG 4.47Å; I52-F84 HydrophobicContact CG1-CD1 4.18Å; I52-C88 HydrophobicContact CB-CB 3.92Å; I52-C88 HydrophobicContact CD1-CB 3.86Å; I52-C88 HydrophobicContact CG1-CB 4.49Å; I52-C88 HydrophobicContact CG2-CB 3.88Å; I52-M89 HydrophobicContact CD1-CE 4.1Å; I52-W92 HydrophobicContact CD1-CB 3.95Å; I52-W92 HydrophobicContact CD1-CG 4.26Å; I52-W92 HydrophobicContact CG1-CE3 4.38Å; I52-P100 HydrophobicContact CD1-CG 4.18Å; I52-P100 HydrophobicContact CG1-CG 4.05Å
53C95.2Very high88Confident19 Ų1978.1 Ų78.113%0.12838%0.383CS..THydrogen-bonded Turntrans-106.7-5.1-176.670.40000114.6C50 V55 L62 H85 C88C50-C53 PolarHBondContact O-N 3.42Å; C53-V55 PolarHBondContact O-N 3.16Å; C53-L62 WeakPolarHBondContact O-CD1 3.46Å; C53-H85 PolarHBondContact SG-ND1 3.38Å; C53-C88 VanDerWaalsContact SG-SG 3.67Å
54R94.5Very high89.2Confident198 Ų19870.9 Ų70.975%0.74736%0.357SS*.  trans60.621.7179.4-51-64.7-178.7155.5-0.1115.1C50 A51C50-R54 VanDerWaalsContact O-CA 3.28Å; C50-R54 WeakPolarHBondContact O-CA 3.36Å; C50-R54 PolarHBondContact O-N 2.84Å; A51-R54 PolarHBondContact O-NE 3.02Å
55V94.7Very high90.1Very high21 Ų2166.9 Ų66.913%0.12733%0.333CS..SBendtrans-103152.3173.4177.30000109.1C50 C53 V57 D59 L62C50-V55 PolarHBondContact N-O 2.97Å; C53-V55 PolarHBondContact O-N 3.16Å; V55-V57 PolarHBondContact O-N 2.71Å; V55-D59 HydrophobicContact CG1-CB 3.84Å; V55-L62 HydrophobicContact CG2-CD1 4.38Å; V55-L62 HydrophobicContact CG2-CD2 3.81Å; V55-L62 HydrophobicContact CG2-CG 3.64Å
56Q93.3Very high91.1Very high110 Ų11069.3 Ų69.351%0.51436%0.357SS..BIsolated β-bridgetrans-57.9137.6175.6-62.5-163.7-83.500110.5D48 M58 D59 H85D48-Q56 CarbonylContact O-C 3.51Å; D48-Q56 VanDerWaalsContact O-CA 3.23Å; D48-Q56 WeakPolarHBondContact O-CA 3.45Å; Q56-M58 PolarHBondContact O-N 2.93Å; Q56-D59 PolarHBondContact O-N 2.87Å; Q56-H85 PolarHBondContact O-CE1 3.32Å; Q56-H85 PolarHBondContact O-NE2 3.4Å
57V91.7Very high92.3Very high9 Ų966.6 Ų66.66%0.05534%0.344CS..THydrogen-bonded Turntrans-64.1-21.8-176.3179.20000111.9D48 C50 V55 V75 H85D48-V57 PolarHBondContact O-N 2.94Å; C50-V57 HydrophobicContact CB-CG2 4.12Å; V55-V57 PolarHBondContact O-N 2.71Å; V57-V75 HydrophobicContact CG1-CB 4.03Å; V57-V75 HydrophobicContact CG1-CG1 3.31Å; V57-V75 HydrophobicContact CG1-CG2 3.49Å; V57-V75 VanDerWaalsContact CG1-CG2 3.49Å; V57-V75 WeakPolarHBondContact O-CG2 3.14Å; V57-H85 WeakPolarHBondContact CA-NE2 3.3Å; V57-H85 PolarHBondContact O-NE2 3.33Å
58M88.6Confident93.1Very high139 Ų13970 Ų7069%0.68536%0.359SS*.THydrogen-bonded Turntrans-80.2-16176.6-60.1-58.7-69.300113.6Q56Q56-M58 PolarHBondContact O-N 2.93Å
59D91.9Very high93.5Very high79 Ų7970.1 Ų70.142%0.42236%0.355SS..SBendtrans-97.6167.2177.3-69.3-36.3000110.7V55 Q56 H85V55-D59 HydrophobicContact CG1-CB 3.84Å; Q56-D59 PolarHBondContact O-N 2.87Å; D59-H85 PolarHBondContact O-NE2 2.97Å
60A93.8Very high93.4Very high13 Ų1371 Ų7111%0.10736%0.355CS..PPolyproline II helixtrans-68.7142.2169.600000111.3C64 Q65 Q70 C73A60-C64 HydrophobicContact CB-CB 4.21Å; A60-Q65 HydrophobicContact CB-CG 3.94Å; A60-Q65 WeakPolarHBondContact O-CG 3.26Å; A60-Q65 PolarHBondContact O-NE2 3.48Å; A60-Q70 HydrophobicContact CB-CB 3.58Å; A60-Q70 HydrophobicContact CB-CG 3.64Å; A60-C73 HydrophobicContact CB-CB 3.97Å
61C95.5Very high93.2Very high1 Ų179.1 Ų79.11%0.00739%0.393CS..PPolyproline II helixtrans-65.1158.9175.279.30000112.1R63 C64 Q65 C73 H85C61-R63 PolarHBondContact O-N 3.21Å; C61-C64 PolarHBondContact O-N 3.1Å; C61-Q65 WeakPolarHBondContact O-CG 3.48Å; C61-Q65 PolarHBondContact O-N 3.46Å; C61-C73 PolarHBondContact N-SG 3.48Å; C61-H85 HydrophobicContact CB-CB 4.08Å; C61-H85 WeakPolarHBondContact CB-ND1 3.23Å
62L94.2Very high93Very high101 Ų10182.7 Ų82.753%0.52941%0.408SS..Hα-helixtrans-50.8-35.4-178.9-67.4171.3000114C53 V55 A66C53-L62 WeakPolarHBondContact O-CD1 3.46Å; V55-L62 HydrophobicContact CG2-CD1 4.38Å; V55-L62 HydrophobicContact CG2-CD2 3.81Å; V55-L62 HydrophobicContact CG2-CG 3.64Å; L62-A66 WeakPolarHBondContact O-CB 3.16Å; L62-A66 PolarHBondContact O-N 2.91Å; L62-A66 VanDerWaalsContact O-N 3.09Å
63R94.4Very high92.9Very high139 Ų13980.8 Ų80.853%0.52540%0.4SS..Hα-helixtrans-69.3-47.4178.4-173.8-173.1-56.4-88.8-6.2111.8C61 Q65 A66 E67C61-R63 PolarHBondContact O-N 3.21Å; R63-Q65 VanDerWaalsContact C-N 3.31Å; R63-A66 PolarHBondContact O-N 3.31Å; R63-E67 PolarHBondContact O-N 2.84Å
64C95Very high92.9Very high9 Ų981.7 Ų81.76%0.06141%0.405CS..Hα-helixtrans-67.8-33.9179-69.60000111.8A60 C61 N68 K69 C73A60-C64 HydrophobicContact CB-CB 4.21Å; C61-C64 PolarHBondContact O-N 3.1Å; C64-N68 PolarHBondContact O-N 2.93Å; C64-N68 VanDerWaalsContact O-N 3.15Å; C64-K69 WeakPolarHBondContact CB-O 3.24Å; C64-K69 PolarHBondContact O-N 3.11Å; C64-C73 HydrophobicContact CB-CB 3.82Å
65Q93.8Very high92.8Very high85 Ų8573.1 Ų73.140%0.39737%0.374SS..Hα-helixtrans-62-45.2171-68.5-177.51100111.5A60 C61 R63 N68A60-Q65 HydrophobicContact CB-CG 3.94Å; A60-Q65 WeakPolarHBondContact O-CG 3.26Å; A60-Q65 PolarHBondContact O-NE2 3.48Å; C61-Q65 WeakPolarHBondContact O-CG 3.48Å; C61-Q65 PolarHBondContact O-N 3.46Å; R63-Q65 VanDerWaalsContact C-N 3.31Å; Q65-N68 PolarHBondContact O-N 3.44Å
66A94.9Very high92.8Very high91 Ų9172.2 Ų72.275%0.75237%0.369SS*.Hα-helixtrans-68.2-34.8179.700000113.4L62 R63 N68L62-A66 WeakPolarHBondContact O-CB 3.16Å; L62-A66 PolarHBondContact O-N 2.91Å; L62-A66 VanDerWaalsContact O-N 3.09Å; R63-A66 PolarHBondContact O-N 3.31Å; A66-N68 VanDerWaalsContact C-N 3.33Å
67E94.2Very high92.8Very high100 Ų10069.2 Ų69.247%0.46735%0.353SS..THydrogen-bonded Turntrans-85.7-1.2178.9-70.2-178.2-151.500114R63 K69R63-E67 PolarHBondContact O-N 2.84Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 HydrophobicContact CB-CD 4.31Å; E67-K69 HydrophobicContact CB-CG 4.28Å; E67-K69 PolarHBondContact O-N 3.09Å; E67-K69 IonicContact OE2-NZ 3.61Å; E67-K69 PolarHBondContact OE2-NZ 3.06Å
68N91.1Very high92.9Very high120 Ų12068.8 Ų68.864%0.64235%0.35SS*.THydrogen-bonded Turntrans54.441.4-172.8-152.248.7000113.5C64 Q65 A66 Q70C64-N68 PolarHBondContact O-N 2.93Å; C64-N68 VanDerWaalsContact O-N 3.15Å; Q65-N68 PolarHBondContact O-N 3.44Å; A66-N68 VanDerWaalsContact C-N 3.33Å; N68-Q70 PolarHBondContact O-OE1 3.16Å; N68-Q70 PolarHBondContact OD1-NE2 3.3Å; N68-Q70 VanDerWaalsContact OD1-NE2 3.08Å; N68-Q70 PolarHBondContact OD1-OE1 2.88Å
69K91.6Very high93.2Very high93 Ų9368.1 Ų68.140%0.40435%0.346SS..  trans-121.445.1176.8-64.6178.8-171.9156.10110.8C64 E67 E71 D72C64-K69 WeakPolarHBondContact CB-O 3.24Å; C64-K69 PolarHBondContact O-N 3.11Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 HydrophobicContact CB-CD 4.31Å; E67-K69 HydrophobicContact CB-CG 4.28Å; E67-K69 PolarHBondContact O-N 3.09Å; E67-K69 IonicContact OE2-NZ 3.61Å; E67-K69 PolarHBondContact OE2-NZ 3.06Å; K69-E71 PolarHBondContact O-N 3.06Å; K69-D72 PolarHBondContact O-N 3.43Å
70Q90.9Very high93.3Very high82 Ų8265.7 Ų65.738%0.38333%0.334SS..G310 helixtrans-63.7-32.6-177.5-60.687.5-18.900111.2A60 N68 D72 C73A60-Q70 HydrophobicContact CB-CB 3.58Å; A60-Q70 HydrophobicContact CB-CG 3.64Å; N68-Q70 PolarHBondContact O-OE1 3.16Å; N68-Q70 PolarHBondContact OD1-NE2 3.3Å; N68-Q70 VanDerWaalsContact OD1-NE2 3.08Å; N68-Q70 PolarHBondContact OD1-OE1 2.88Å; Q70-D72 VanDerWaalsContact C-N 3.29Å; Q70-D72 PolarHBondContact O-N 3.39Å; Q70-C73 WeakPolarHBondContact O-CB 3.26Å; Q70-C73 PolarHBondContact O-N 3.37Å
71E88.9Confident93.1Very high171 Ų17170 Ų7080%0.79936%0.355SS*.G310 helixtrans-64.6-27178.262.8-164.1144.700114.2K69 C73K69-E71 PolarHBondContact O-N 3.06Å; E71-C73 VanDerWaalsContact C-N 3.34Å
72D90.5Very high92.9Very high101 Ų10170.9 Ų70.954%0.5436%0.36SS..G310 helixtrans-85.8-8.6178.3-66.2-37.4000112.9K69 Q70 V74K69-D72 PolarHBondContact O-N 3.43Å; Q70-D72 VanDerWaalsContact C-N 3.29Å; Q70-D72 PolarHBondContact O-N 3.39Å; D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 2.88Å
73C93.4Very high92.9Very high16 Ų1666.3 Ų66.311%0.10834%0.336CS..  trans-83.377.6-172.1-168.80000111.9A60 C61 C64 Q70 E71A60-C73 HydrophobicContact CB-CB 3.97Å; C61-C73 PolarHBondContact N-SG 3.48Å; C64-C73 HydrophobicContact CB-CB 3.82Å; Q70-C73 WeakPolarHBondContact O-CB 3.26Å; Q70-C73 PolarHBondContact O-N 3.37Å; E71-C73 VanDerWaalsContact C-N 3.34Å
74V93.9Very high92.9Very high37 Ų3759.7 Ų59.722%0.22431%0.311CS..  trans-81.5156.4179.3-64.70000113.6D72 N86 I111 G112D72-V74 VanDerWaalsContact C-N 3.35Å; D72-V74 PolarHBondContact O-N 2.88Å; V74-N86 HydrophobicContact CG2-CB 3.58Å; V74-N86 VanDerWaalsContact O-CB 3.3Å; V74-N86 WeakPolarHBondContact O-CB 3.42Å; V74-N86 PolarHBondContact O-N 3.2Å; V74-I111 HydrophobicContact CB-CG2 4.47Å; V74-I111 HydrophobicContact CG2-CG2 3.89Å; V74-G112 WeakPolarHBondContact CB-O 3.46Å; V74-G112 VanDerWaalsContact CG1-O 3.3Å; V74-G112 WeakPolarHBondContact CG1-O 3.32Å
75V93.5Very high92.9Very high19 Ų1959.2 Ų59.212%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-87.6141.2175-1770000110.4V57 W77 G112V57-V75 HydrophobicContact CG1-CB 4.03Å; V57-V75 HydrophobicContact CG1-CG1 3.31Å; V57-V75 HydrophobicContact CG1-CG2 3.49Å; V57-V75 VanDerWaalsContact CG1-CG2 3.49Å; V57-V75 WeakPolarHBondContact O-CG2 3.14Å; V75-W77 HydrophobicContact CB-CH2 3.66Å; V75-W77 HydrophobicContact CB-CZ2 4.07Å; V75-W77 HydrophobicContact CB-CZ3 3.91Å; V75-W77 HydrophobicContact CG1-CD2 4.04Å; V75-W77 HydrophobicContact CG1-CE3 4.05Å; V75-W77 HydrophobicContact CG1-CH2 3.61Å; V75-W77 HydrophobicContact CG1-CZ2 3.53Å; V75-W77 HydrophobicContact CG1-CZ3 3.88Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; V75-G112 PolarHBondContact O-N 3.16Å
76V94.4Very high93Very high1 Ų157.4 Ų57.41%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-121.4138.9171.965.70000110S83 F84 N86 M89 W106 V108 I111V76-S83 WeakPolarHBondContact O-CA 3.43Å; V76-F84 HydrophobicContact CG1-CB 4.4Å; V76-F84 WeakPolarHBondContact CG1-O 3.46Å; V76-F84 PolarHBondContact N-O 3.11Å; V76-F84 PolarHBondContact O-N 2.82Å; V76-N86 HydrophobicContact CB-CB 4.26Å; V76-N86 HydrophobicContact CG1-CB 4.34Å; V76-M89 HydrophobicContact CG1-CB 3.85Å; V76-M89 HydrophobicContact CG1-CG 4.24Å; V76-W106 HydrophobicContact CG1-CZ2 4.04Å; V76-W106 HydrophobicContact CG2-CZ2 4.09Å; V76-V108 HydrophobicContact CG2-CB 4.48Å; V76-V108 HydrophobicContact CG2-CG1 3.71Å; V76-V108 HydrophobicContact CG2-CG2 4.09Å; V76-I111 HydrophobicContact CG2-CG1 3.99Å
77W93Very high93Very high47 Ų4754.5 Ų54.518%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-113.7134.9174.1-62.4-101.8000109.6V75 Q109 R110V75-W77 HydrophobicContact CB-CH2 3.66Å; V75-W77 HydrophobicContact CB-CZ2 4.07Å; V75-W77 HydrophobicContact CB-CZ3 3.91Å; V75-W77 HydrophobicContact CG1-CD2 4.04Å; V75-W77 HydrophobicContact CG1-CE3 4.05Å; V75-W77 HydrophobicContact CG1-CH2 3.61Å; V75-W77 HydrophobicContact CG1-CZ2 3.53Å; V75-W77 HydrophobicContact CG1-CZ3 3.88Å; V75-W77 WeakPolarHBondContact O-CZ3 3.3Å; W77-Q109 PolarHBondContact O-N 2.76Å; W77-R110 HydrophobicContact CB-CG 3.71Å; W77-R110 HydrophobicContact CD2-CG 3.96Å; W77-R110 VanDerWaalsContact CD2-NE 3.34Å; W77-R110 HydrophobicContact CE3-CG 3.65Å; W77-R110 HydrophobicContact CG-CG 4.01Å; W77-R110 HydrophobicContact CZ3-CG 4.48Å; W77-R110 PolarHBondContact N-O 3.05Å; W77-R110 PolarHBondContact O-N 2.99Å
78G93.8Very high93.1Very high0 Ų050.3 Ų50.30%026%0.256CS..EExtended strand (participates in β ladder)trans-88.8163.4171.900000111.9C80 N81 H82 W106 V107 Q109G78-C80 PolarHBondContact O-N 3.47Å; G78-C80 VanDerWaalsContact O-N 3.11Å; G78-N81 WeakPolarHBondContact O-CA 3.21Å; G78-N81 PolarHBondContact O-N 2.83Å; G78-H82 PolarHBondContact N-O 2.97Å; G78-W106 VanDerWaalsContact CA-CH2 3.46Å; G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.23Å; G78-Q109 PolarHBondContact O-OE1 3.15Å
79E94.5Very high93.3Very high126 Ų12644.8 Ų44.859%0.58923%0.227SC*.THydrogen-bonded Turntrans-60-19.7173.1-68.3-172.8161.700113.1N81 V107 Q109E79-N81 PolarHBondContact O-N 3.01Å; E79-V107 HydrophobicContact CG-CB 4.02Å; E79-V107 HydrophobicContact CG-CG1 3.98Å; E79-V107 PolarHBondContact N-O 2.96Å; E79-Q109 HydrophobicContact CG-CB 4.15Å
80C93Very high93.5Very high27 Ų2743.1 Ų43.118%0.18223%0.227CC..THydrogen-bonded Turntrans-78.711.5170.761.60000113.9G78 H82 C99G78-C80 PolarHBondContact O-N 3.47Å; G78-C80 VanDerWaalsContact O-N 3.11Å; C80-H82 PolarHBondContact O-N 3.25Å; C80-H82 PolarHBondContact O-ND1 2.8Å; C80-H82 PolarHBondContact SG-ND1 3.44Å; C80-H82 VanDerWaalsContact SG-ND1 3.37Å; C80-C99 VanDerWaalsContact SG-SG 3.67Å
81N90.4Very high93.7Very high104 Ų10442.5 Ų42.556%0.55623%0.225SC*.SBendtrans59.67.3-177-67.3-52.8000116.5G78 E79G78-N81 WeakPolarHBondContact O-CA 3.21Å; G78-N81 PolarHBondContact O-N 2.83Å; E79-N81 PolarHBondContact O-N 3.01Å
82H92.2Very high94Very high20 Ų2038.6 Ų38.69%0.09320%0.203CC..  trans-81136.7173.4-65.2116000112.2E46 G78 C80 F84 C99 L101E46-H82 IonicContact OE2-CD2 2.77Å; E46-H82 IonicContact OE2-NE2 3.35Å; E46-H82 PolarHBondContact OE2-NE2 3.27Å; G78-H82 PolarHBondContact N-O 2.97Å; C80-H82 PolarHBondContact O-N 3.25Å; C80-H82 PolarHBondContact O-ND1 2.8Å; C80-H82 PolarHBondContact SG-ND1 3.44Å; C80-H82 VanDerWaalsContact SG-ND1 3.37Å; H82-F84 HydrophobicContact CB-CE2 3.58Å; H82-F84 HydrophobicContact CB-CZ 4Å; H82-C99 PolarHBondContact ND1-SG 3.36Å; H82-L101 HydrophobicContact CB-CD1 4.08Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.46Å
83S93.3Very high94.2Very high4 Ų435.9 Ų35.93%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-107140-179.854.10000113.1V45 C47 V76V45-S83 WeakPolarHBondContact CG1-OG 3.39Å; C47-S83 PolarHBondContact O-OG 3.04Å; V76-S83 WeakPolarHBondContact O-CA 3.43Å
84F95.1Very high94.4Very high0 Ų043.1 Ų43.10%022%0.22CC..EExtended strand (participates in β ladder)trans-144.2165.3176.5-55.5-89.9000110.1A51 I52 V76 H82 N86 M89 P100 L101 W106A51-F84 HydrophobicContact CB-CE1 4Å; I52-F84 HydrophobicContact CD1-CD1 4Å; I52-F84 HydrophobicContact CD1-CG 4.47Å; I52-F84 HydrophobicContact CG1-CD1 4.18Å; V76-F84 HydrophobicContact CG1-CB 4.4Å; V76-F84 WeakPolarHBondContact CG1-O 3.46Å; V76-F84 PolarHBondContact N-O 3.11Å; V76-F84 PolarHBondContact O-N 2.82Å; H82-F84 HydrophobicContact CB-CE2 3.58Å; H82-F84 HydrophobicContact CB-CZ 4Å; F84-N86 PolarHBondContact O-N 3.15Å; F84-M89 HydrophobicContact CB-CB 4.24Å; F84-M89 HydrophobicContact CB-CE 3.96Å; F84-M89 HydrophobicContact CD1-CE 3.94Å; F84-M89 HydrophobicContact CD2-CE 3.07Å; F84-M89 HydrophobicContact CE1-CE 4.2Å; F84-M89 HydrophobicContact CE2-CE 3.39Å; F84-M89 HydrophobicContact CG-CE 3.37Å; F84-M89 HydrophobicContact CZ-CE 3.96Å; F84-P100 HydrophobicContact CE1-CB 4.26Å; F84-P100 HydrophobicContact CE1-CG 3.91Å; F84-P100 HydrophobicContact CZ-CB 4.37Å; F84-P100 HydrophobicContact CZ-CG 4.01Å; F84-L101 HydrophobicContact CE1-CD1 4.28Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.88Å; F84-L101 HydrophobicContact CZ-CG 4.04Å; F84-W106 AromaticContact CD2-CH2 3.62Å; F84-W106 HydrophobicContact CD2-CH2 3.62Å; F84-W106 AromaticContact CD2-CZ3 3.83Å; F84-W106 HydrophobicContact CD2-CZ3 3.83Å; F84-W106 AromaticContact CE2-CH2 3.92Å; F84-W106 HydrophobicContact CE2-CH2 3.92Å; F84-W106 AromaticContact CE2-CZ3 3.61Å; F84-W106 HydrophobicContact CE2-CZ3 3.61Å
85H95.4Very high94.4Very high0 Ų050 Ų500%025%0.25CC..EExtended strand (participates in β ladder)trans-66.1133.9163.6-57.8119.5000109.7C50 C53 Q56 V57 D59 C61 C87 C88 M89C50-H85 WeakPolarHBondContact CB-ND1 3.32Å; C53-H85 PolarHBondContact SG-ND1 3.38Å; Q56-H85 PolarHBondContact O-CE1 3.32Å; Q56-H85 PolarHBondContact O-NE2 3.4Å; V57-H85 WeakPolarHBondContact CA-NE2 3.3Å; V57-H85 PolarHBondContact O-NE2 3.33Å; D59-H85 PolarHBondContact O-NE2 2.97Å; C61-H85 HydrophobicContact CB-CB 4.08Å; C61-H85 WeakPolarHBondContact CB-ND1 3.23Å; H85-C87 PolarHBondContact O-N 3.25Å; H85-C88 HydrophobicContact CB-CB 4.06Å; H85-C88 WeakPolarHBondContact O-CB 3.46Å; H85-C88 PolarHBondContact O-N 3Å; H85-M89 PolarHBondContact O-N 2.9Å
86N95.4Very high94.4Very high46 Ų4652.6 Ų52.625%0.24626%0.263CS..Hα-helixtrans-56.3-39.5177-179.672.2000111.5V74 V76 F84 C88 M89 S90V74-N86 HydrophobicContact CG2-CB 3.58Å; V74-N86 VanDerWaalsContact O-CB 3.3Å; V74-N86 WeakPolarHBondContact O-CB 3.42Å; V74-N86 PolarHBondContact O-N 3.2Å; V76-N86 HydrophobicContact CB-CB 4.26Å; V76-N86 HydrophobicContact CG1-CB 4.34Å; F84-N86 PolarHBondContact O-N 3.15Å; N86-C88 VanDerWaalsContact C-N 3.34Å; N86-C88 PolarHBondContact O-N 3Å; N86-M89 PolarHBondContact O-N 3.18Å; N86-S90 WeakPolarHBondContact O-CB 3.12Å; N86-S90 PolarHBondContact O-N 3.02Å; N86-S90 PolarHBondContact O-OG 2.84Å
87C95.3Very high94.4Very high31 Ų3156.5 Ų56.521%0.20928%0.284CS..Hα-helixtrans-62.5-39.1176.1-54.90000112.6H85 L91H85-C87 PolarHBondContact O-N 3.25Å; C87-L91 WeakPolarHBondContact O-CG 3.46Å
88C96Very high94.6Very high12 Ų1259.8 Ų59.88%0.08130%0.296CS..Hα-helixtrans-71-48.1177.7-66.30000111.2I52 C53 H85 N86 L91 W92I52-C88 HydrophobicContact CB-CB 3.92Å; I52-C88 HydrophobicContact CD1-CB 3.86Å; I52-C88 HydrophobicContact CG1-CB 4.49Å; I52-C88 HydrophobicContact CG2-CB 3.88Å; C53-C88 VanDerWaalsContact SG-SG 3.67Å; H85-C88 HydrophobicContact CB-CB 4.06Å; H85-C88 WeakPolarHBondContact O-CB 3.46Å; H85-C88 PolarHBondContact O-N 3Å; N86-C88 VanDerWaalsContact C-N 3.34Å; N86-C88 PolarHBondContact O-N 3Å; C88-L91 PolarHBondContact O-N 3.49Å; C88-W92 PolarHBondContact O-N 3.48Å; C88-W92 VanDerWaalsContact O-N 3.09Å
89M95.9Very high94.7Very high4 Ų459.9 Ų59.92%0.0230%0.297CS..Hα-helixtrans-67.1-39.4-178.3-174.254.269.900112.2I52 V76 F84 H85 N86 L91 W92 V93 P100 W106I52-M89 HydrophobicContact CD1-CE 4.1Å; V76-M89 HydrophobicContact CG1-CB 3.85Å; V76-M89 HydrophobicContact CG1-CG 4.24Å; F84-M89 HydrophobicContact CB-CB 4.24Å; F84-M89 HydrophobicContact CB-CE 3.96Å; F84-M89 HydrophobicContact CD1-CE 3.94Å; F84-M89 HydrophobicContact CD2-CE 3.07Å; F84-M89 HydrophobicContact CE1-CE 4.2Å; F84-M89 HydrophobicContact CE2-CE 3.39Å; F84-M89 HydrophobicContact CG-CE 3.37Å; F84-M89 HydrophobicContact CZ-CE 3.96Å; H85-M89 PolarHBondContact O-N 2.9Å; N86-M89 PolarHBondContact O-N 3.18Å; M89-L91 PolarHBondContact O-N 2.86Å; M89-W92 PolarHBondContact O-N 3.23Å; M89-W92 VanDerWaalsContact O-N 3.1Å; M89-W92 HydrophobicContact SD-CB 4.29Å; M89-W92 HydrophobicContact SD-CG 4.47Å; M89-V93 HydrophobicContact CG-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; M89-V93 PolarHBondContact O-N 3.21Å; M89-V93 HydrophobicContact SD-CG2 3.74Å; M89-P100 HydrophobicContact CE-CG 4.22Å; M89-W106 HydrophobicContact CE-CD2 4.04Å; M89-W106 HydrophobicContact CE-CE3 3.94Å; M89-W106 HydrophobicContact CE-CH2 3.84Å; M89-W106 HydrophobicContact CE-CZ2 3.95Å; M89-W106 HydrophobicContact CE-CZ3 3.84Å; M89-W106 HydrophobicContact CG-CD2 4.17Å; M89-W106 VanDerWaalsContact CG-CE2 3.44Å; M89-W106 HydrophobicContact CG-CH2 4.37Å; M89-W106 HydrophobicContact CG-CZ2 3.57Å; M89-W106 HydrophobicContact SD-CD2 3.81Å; M89-W106 HydrophobicContact SD-CE3 4.29Å; M89-W106 HydrophobicContact SD-CG 4.14Å; M89-W106 HydrophobicContact SD-CZ2 4.14Å
90S94.4Very high94.7Very high57 Ų5755.8 Ų55.840%0.39928%0.281SS..Hα-helixtrans-61.2-28.1177.6-64.60000113.1N86 K94N86-S90 WeakPolarHBondContact O-CB 3.12Å; N86-S90 PolarHBondContact O-N 3.02Å; N86-S90 PolarHBondContact O-OG 2.84Å; S90-K94 WeakPolarHBondContact O-CG 3.42Å
91L94.8Very high94.6Very high69 Ų6957.6 Ų57.636%0.36129%0.289SS..Hα-helixtrans-83.4-37.6173.9-69.1173.1000112.1C87 C88 M89 K94C87-L91 WeakPolarHBondContact O-CG 3.46Å; C88-L91 PolarHBondContact O-N 3.49Å; M89-L91 PolarHBondContact O-N 2.86Å; L91-K94 PolarHBondContact O-N 3Å
92W95.8Very high94.8Very high89 Ų8954.8 Ų54.834%0.33728%0.277SS..Hα-helixtrans-62.9-49178.7-178.7-90000112.4I52 C88 M89 K94 Q95 N96 R98 P100I52-W92 HydrophobicContact CD1-CB 3.95Å; I52-W92 HydrophobicContact CD1-CG 4.26Å; I52-W92 HydrophobicContact CG1-CE3 4.38Å; C88-W92 PolarHBondContact O-N 3.48Å; C88-W92 VanDerWaalsContact O-N 3.09Å; M89-W92 PolarHBondContact O-N 3.23Å; M89-W92 VanDerWaalsContact O-N 3.1Å; M89-W92 HydrophobicContact SD-CB 4.29Å; M89-W92 HydrophobicContact SD-CG 4.47Å; W92-K94 PolarHBondContact O-N 3.22Å; W92-K94 VanDerWaalsContact O-N 3.1Å; W92-Q95 PolarHBondContact O-N 3.44Å; W92-N96 VanDerWaalsContact CD1-O 3.32Å; W92-N96 PolarHBondContact NE1-O 2.77Å; W92-N96 PolarHBondContact O-N 3.31Å; W92-R98 PolarHBondContact NE1-O 3.22Å; W92-P100 HydrophobicContact CD2-CG 4.06Å; W92-P100 HydrophobicContact CG-CG 4.32Å; W92-P100 HydrophobicContact CZ2-CB 4.16Å; W92-P100 HydrophobicContact CZ2-CG 4.04Å
93V96Very high94.9Very high44 Ų4461 Ų6127%0.26731%0.306SS..THydrogen-bonded Turntrans-58.6-26.5-178.5164.60000112.8M89 Q95 N96 N97 W106M89-V93 HydrophobicContact CG-CG2 4.1Å; M89-V93 WeakPolarHBondContact O-CG2 3.41Å; M89-V93 PolarHBondContact O-N 3.21Å; M89-V93 HydrophobicContact SD-CG2 3.74Å; V93-Q95 PolarHBondContact O-N 3.33Å; V93-N96 WeakPolarHBondContact CA-O 3.44Å; V93-N97 VanDerWaalsContact CG1-OD1 3.26Å; V93-N97 WeakPolarHBondContact CG1-OD1 3.37Å; V93-W106 HydrophobicContact CG2-CB 4.37Å; V93-W106 VanDerWaalsContact CG2-CD1 3.46Å; V93-W106 HydrophobicContact CG2-CG 3.99Å
94K95.7Very high95Very high168 Ų16866.2 Ų66.273%0.7333%0.33SS*.THydrogen-bonded Turntrans-63.8-27.2175.1-68177.5-178.2-177.90113.3S90 L91 W92S90-K94 WeakPolarHBondContact O-CG 3.42Å; L91-K94 PolarHBondContact O-N 3Å; W92-K94 PolarHBondContact O-N 3.22Å; W92-K94 VanDerWaalsContact O-N 3.1Å
95Q94.6Very high95.1Very high182 Ų18271 Ų7185%0.8536%0.355SS*.THydrogen-bonded Turntrans-103.9-37.5179.4-64.7-178.37.800112W92 V93W92-Q95 PolarHBondContact O-N 3.44Å; V93-Q95 PolarHBondContact O-N 3.33Å
96N94.4Very high95.1Very high73 Ų7371.8 Ų71.839%0.3936%0.358SS..  trans-146.1113.2-178.4-170.6-11.1000110.2W92 V93 R98W92-N96 VanDerWaalsContact CD1-O 3.32Å; W92-N96 PolarHBondContact NE1-O 2.77Å; W92-N96 PolarHBondContact O-N 3.31Å; V93-N96 WeakPolarHBondContact CA-O 3.44Å; N96-R98 PolarHBondContact O-N 2.94Å; N96-R98 WeakPolarHBondContact OD1-CB 3.43Å; N96-R98 WeakPolarHBondContact OD1-CG 3.42Å; N96-R98 PolarHBondContact OD1-N 3.29Å
97N94.6Very high95.1Very high84 Ų8472.7 Ų72.745%0.44937%0.365SS..  trans-79.434.5-179.6-164.453.5000113.1V93 W106V93-N97 VanDerWaalsContact CG1-OD1 3.26Å; V93-N97 WeakPolarHBondContact CG1-OD1 3.37Å; N97-W106 PolarHBondContact O-N 3.38Å
98R96.7Very high95.1Very high116 Ų11674.6 Ų74.644%0.43838%0.376SS..BIsolated β-bridgetrans-122.1146.5179.5-64-179.5-178-66.6-10.2110.5W92 N96 Q103 Q104 D105W92-R98 PolarHBondContact NE1-O 3.22Å; N96-R98 PolarHBondContact O-N 2.94Å; N96-R98 WeakPolarHBondContact OD1-CB 3.43Å; N96-R98 WeakPolarHBondContact OD1-CG 3.42Å; N96-R98 PolarHBondContact OD1-N 3.29Å; R98-Q103 WeakPolarHBondContact CD-O 3.28Å; R98-Q103 PolarHBondContact NH1-O 3.4Å; R98-Q104 CarbonylContact C-O 3.52Å; R98-Q104 VanDerWaalsContact CA-O 3.24Å; R98-Q104 WeakPolarHBondContact CA-O 3.48Å; R98-D105 IonicContact CZ-OD1 3.39Å; R98-D105 IonicContact NH1-OD1 3.84Å; R98-D105 PolarHBondContact NH1-OD1 3.17Å; R98-D105 IonicContact NH2-OD1 2.88Å
99C95.2Very high95Very high2 Ų278.8 Ų78.81%0.01439%0.394CS..  trans-60.3129.5174.1-177.30000110.7C80 H82 L101 C102 Q103 Q104 W106C80-C99 VanDerWaalsContact SG-SG 3.67Å; H82-C99 PolarHBondContact ND1-SG 3.36Å; C99-L101 PolarHBondContact O-N 3.08Å; C99-L101 VanDerWaalsContact O-N 3.16Å; C99-C102 VanDerWaalsContact CB-SG 3.52Å; C99-Q103 VanDerWaalsContact O-CA 3.26Å; C99-Q103 WeakPolarHBondContact O-CA 3.45Å; C99-Q103 PolarHBondContact O-N 3.48Å; C99-Q104 PolarHBondContact N-O 3.09Å; C99-W106 HydrophobicContact CB-CE3 4.06Å
100P93.9Very high94.8Very high39 Ų3985.2 Ų85.225%0.25342%0.418SS..THydrogen-bonded Turntrans-59.4-23.1176.9-23.430.2000115.2I52 F84 M89 W92I52-P100 HydrophobicContact CD1-CG 4.18Å; I52-P100 HydrophobicContact CG1-CG 4.05Å; F84-P100 HydrophobicContact CE1-CB 4.26Å; F84-P100 HydrophobicContact CE1-CG 3.91Å; F84-P100 HydrophobicContact CZ-CB 4.37Å; F84-P100 HydrophobicContact CZ-CG 4.01Å; M89-P100 HydrophobicContact CE-CG 4.22Å; W92-P100 HydrophobicContact CD2-CG 4.06Å; W92-P100 HydrophobicContact CG-CG 4.32Å; W92-P100 HydrophobicContact CZ2-CB 4.16Å; W92-P100 HydrophobicContact CZ2-CG 4.04Å
101L92.8Very high94.7Very high66 Ų6687 Ų8735%0.34642%0.423SS..THydrogen-bonded Turntrans-94.8-56-175.2-66.8172.9000112.1A51 H82 F84 C99A51-L101 HydrophobicContact CB-CD2 3.97Å; A51-L101 HydrophobicContact CB-CG 4.37Å; H82-L101 HydrophobicContact CB-CD1 4.08Å; H82-L101 WeakPolarHBondContact CD2-CD1 3.46Å; F84-L101 HydrophobicContact CE1-CD1 4.28Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CZ-CD1 3.88Å; F84-L101 HydrophobicContact CZ-CG 4.04Å; C99-L101 PolarHBondContact O-N 3.08Å; C99-L101 VanDerWaalsContact O-N 3.16Å
102C94Very high94.1Very high45 Ų4584.7 Ų84.730%0.30442%0.416SS..THydrogen-bonded Turntrans-98.7-6.1-177.463.10000115.7C99 Q104C99-C102 VanDerWaalsContact CB-SG 3.52Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 2.91Å; C102-Q104 PolarHBondContact SG-OE1 3.02Å; C102-Q104 VanDerWaalsContact SG-OE1 3.42Å
103Q94.7Very high92.8Very high149 Ų14993.1 Ų93.170%0.69646%0.455SS*.  trans617.1-178-53179.141.900116R98 C99R98-Q103 WeakPolarHBondContact CD-O 3.28Å; R98-Q103 PolarHBondContact NH1-O 3.4Å; C99-Q103 VanDerWaalsContact O-CA 3.26Å; C99-Q103 WeakPolarHBondContact O-CA 3.45Å; C99-Q103 PolarHBondContact O-N 3.48Å
104Q94.5Very high92.6Very high114 Ų11495.6 Ų95.653%0.53346%0.464SS..SBendtrans-69.6157.2169.8-66.2172.8-29.200110.9R98 C99 C102 W106R98-Q104 CarbonylContact C-O 3.52Å; R98-Q104 VanDerWaalsContact CA-O 3.24Å; R98-Q104 WeakPolarHBondContact CA-O 3.48Å; C99-Q104 PolarHBondContact N-O 3.09Å; C102-Q104 HydrophobicContact CB-CG 4.39Å; C102-Q104 PolarHBondContact O-N 2.91Å; C102-Q104 PolarHBondContact SG-OE1 3.02Å; C102-Q104 VanDerWaalsContact SG-OE1 3.42Å; Q104-W106 PolarHBondContact O-N 2.76Å
105D96.2Very high92.5Very high101 Ų10191.8 Ų91.854%0.5445%0.45SS..BIsolated β-bridgetrans-59.1130176.7-63.4-27.5000109.9R98 V107R98-D105 IonicContact CZ-OD1 3.39Å; R98-D105 IonicContact NH1-OD1 3.84Å; R98-D105 PolarHBondContact NH1-OD1 3.17Å; R98-D105 IonicContact NH2-OD1 2.88Å; D105-V107 PolarHBondContact O-N 3.12Å
106W96.3Very high92.3Very high17 Ų1786.8 Ų86.86%0.06443%0.428CS..PPolyproline II helixtrans-78116.1-174.6178.4-98.9000110.5V76 G78 F84 M89 V93 N97 C99 Q104V76-W106 HydrophobicContact CG1-CZ2 4.04Å; V76-W106 HydrophobicContact CG2-CZ2 4.09Å; G78-W106 VanDerWaalsContact CA-CH2 3.46Å; F84-W106 AromaticContact CD2-CH2 3.62Å; F84-W106 HydrophobicContact CD2-CH2 3.62Å; F84-W106 AromaticContact CD2-CZ3 3.83Å; F84-W106 HydrophobicContact CD2-CZ3 3.83Å; F84-W106 AromaticContact CE2-CH2 3.92Å; F84-W106 HydrophobicContact CE2-CH2 3.92Å; F84-W106 AromaticContact CE2-CZ3 3.61Å; F84-W106 HydrophobicContact CE2-CZ3 3.61Å; M89-W106 HydrophobicContact CE-CD2 4.04Å; M89-W106 HydrophobicContact CE-CE3 3.94Å; M89-W106 HydrophobicContact CE-CH2 3.84Å; M89-W106 HydrophobicContact CE-CZ2 3.95Å; M89-W106 HydrophobicContact CE-CZ3 3.84Å; M89-W106 HydrophobicContact CG-CD2 4.17Å; M89-W106 VanDerWaalsContact CG-CE2 3.44Å; M89-W106 HydrophobicContact CG-CH2 4.37Å; M89-W106 HydrophobicContact CG-CZ2 3.57Å; M89-W106 HydrophobicContact SD-CD2 3.81Å; M89-W106 HydrophobicContact SD-CE3 4.29Å; M89-W106 HydrophobicContact SD-CG 4.14Å; M89-W106 HydrophobicContact SD-CZ2 4.14Å; V93-W106 HydrophobicContact CG2-CB 4.37Å; V93-W106 VanDerWaalsContact CG2-CD1 3.46Å; V93-W106 HydrophobicContact CG2-CG 3.99Å; N97-W106 PolarHBondContact O-N 3.38Å; C99-W106 HydrophobicContact CB-CE3 4.06Å; Q104-W106 PolarHBondContact O-N 2.76Å
107V95.9Very high92.2Very high64 Ų6487.6 Ų87.639%0.38843%0.43SS..  trans-125.8128.5173.8-175.90000108.2G78 E79 D105 Q109G78-V107 CarbonylContact C-O 3.51Å; G78-V107 WeakPolarHBondContact CA-O 3.23Å; E79-V107 HydrophobicContact CG-CB 4.02Å; E79-V107 HydrophobicContact CG-CG1 3.98Å; E79-V107 PolarHBondContact N-O 2.96Å; D105-V107 PolarHBondContact O-N 3.12Å; V107-Q109 PolarHBondContact O-N 3.05Å
108V95.1Very high92.1Very high72 Ų7287.8 Ų87.844%0.43643%0.429SS..EExtended strand (participates in β ladder)trans-76.9122-178.6176.60000109.6V76 I111V76-V108 HydrophobicContact CG2-CB 4.48Å; V76-V108 HydrophobicContact CG2-CG1 3.71Å; V76-V108 HydrophobicContact CG2-CG2 4.09Å; V108-I111 HydrophobicContact CG1-CD1 4.3Å; V108-I111 HydrophobicContact CG1-CG1 3.89Å
109Q93.2Very high91.8Very high100 Ų10085.9 Ų85.947%0.46743%0.428SS..EExtended strand (participates in β ladder)trans-89.6-46.1174.8-176.1-177.6-2.700111.6W77 G78 E79 V107W77-Q109 PolarHBondContact O-N 2.76Å; G78-Q109 PolarHBondContact O-OE1 3.15Å; E79-Q109 HydrophobicContact CG-CB 4.15Å; V107-Q109 PolarHBondContact O-N 3.05Å
110R92.2Very high91.5Very high138 Ų13891.9 Ų91.952%0.52146%0.458SS..EExtended strand (participates in β ladder)trans-154.7152.9-179.357.5175.3-167.8-159.11.1111.7W77W77-R110 HydrophobicContact CB-CG 3.71Å; W77-R110 HydrophobicContact CD2-CG 3.96Å; W77-R110 VanDerWaalsContact CD2-NE 3.34Å; W77-R110 HydrophobicContact CE3-CG 3.65Å; W77-R110 HydrophobicContact CG-CG 4.01Å; W77-R110 HydrophobicContact CZ3-CG 4.48Å; W77-R110 PolarHBondContact N-O 3.05Å; W77-R110 PolarHBondContact O-N 2.99Å
111I92.6Very high91.3Very high95 Ų9596 Ų9649%0.48747%0.474SS..EExtended strand (participates in β ladder)trans-122.3131.4174.2-59.1169.9000107.6V74 V76 V108V74-I111 HydrophobicContact CB-CG2 4.47Å; V74-I111 HydrophobicContact CG2-CG2 3.89Å; V76-I111 HydrophobicContact CG2-CG1 3.99Å; V108-I111 HydrophobicContact CG1-CD1 4.3Å; V108-I111 HydrophobicContact CG1-CG1 3.89Å
112G82.2Confident91.2Very high21 Ų2198.5 Ų98.522%0.21648%0.484CS..EExtended strand (participates in β ladder)trans-93.1110.1-170.800000109.9V74 V75V74-G112 WeakPolarHBondContact CB-O 3.46Å; V74-G112 VanDerWaalsContact CG1-O 3.3Å; V74-G112 WeakPolarHBondContact CG1-O 3.32Å; V75-G112 PolarHBondContact O-N 3.16Å
113K67.7Low91Very high266 Ų266103.4 Ų103.4100%1.15750%0.501SS*.  trans-98.10165.4-72.9-175.1177.7178.30109.3

Retrieved 113 of 113 residues in 253.9 ms (Link to these results)