A0A096N037_PAPAN Loading...

RING-box protein 2

AlphaFold DB (Q9UBF6), UniProt , Accession A0A096N037, Species PAPAN (Papio anubis, Olive baboon), 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 70.6 ms (Link to these results)