A0A093KBT5_STRCA Loading...

E3 ubiquitin-protein ligase RNF185

AlphaFold DB , UniProt , Accession A0A093KBT5, Species STRCA (Struthio camelus australis), Gene n/a, Length 194 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
1M44.3Very low40Very low248 Ų248130.7 Ų130.7100%1.22283%0.834SS**  0105.20-67164.1-179.400106.6
2A40.4Very low39.8Very low95 Ų95130.8 Ų130.879%0.78583%0.831SS**  trans-81.8164.8178.100000110.9
3S41.6Very low39.3Very low109 Ų109136 Ų13676%0.76284%0.839SS**  trans128.899.2152.4-550000110.9
4K41Very low39Very low203 Ų203136.4 Ų136.488%0.88383%0.833SS**  82.8118.786-91.2179.3169.1178.60112.6
5G35.7Very low38.9Very low71 Ų71133.3 Ų133.373%0.73282%0.819SS**  trans-67.9-171.5162.800000112.7
6P51.6Low38.9Very low140 Ų140131.3 Ų131.391%0.90981%0.812SS**  -143.5166.297.636.5-20.4000115.8
7A36Very low38.5Very low91 Ų91131.8 Ų131.875%0.75282%0.815SS**  trans-79.4157.5175.600000113.2
8T36.7Very low38Very low144 Ų144129.2 Ų129.288%0.88382%0.819SS**  trans-144126.4146.3-60.20000110
9S38.2Very low37.7Very low100 Ų100126.5 Ų126.570%0.69982%0.818SS**  trans-91.3-175.4178.346.70000112.6
10T35.4Very low37.7Very low130 Ų130127 Ų12780%0.79882%0.819SS**  trans107125.2161.2-37.90000112.4
11S39.3Very low37.9Very low107 Ų107126.7 Ų126.775%0.74882%0.82SS**  cis-164.9148.3234.70000109.9
12T37.5Very low37.4Very low131 Ų131118.5 Ų118.580%0.80480%0.799SS**  trans-68.3148.2167.1-34.60000111.7
13E33.6Very low37.4Very low199 Ų199119.7 Ų119.793%0.9380%0.802SS**  trans-171.3157.1137.1-104.3167.5-161.300112.4
14N34.1Very low37.5Very low141 Ų141119.2 Ų119.275%0.75480%0.799SS**  trans-131.8152-146.2178.233.5000111.5
15S38.2Very low37.6Very low90 Ų90115.8 Ų115.863%0.62980%0.8SS**  trans66.7146.2159.3-580000117.1
16S39.2Very low38.1Very low101 Ų101116.9 Ų116.971%0.70680%0.797SS**  cis-171.7149.437.8-32.10000111
17T32.5Very low37.7Very low141 Ų141118 Ų11887%0.86580%0.795SS**  trans47.1123.4139.652.90000123.8
18G29.4Very low38Very low85 Ų85117.3 Ų117.388%0.87680%0.797SS**  98.3124.4113.700000119.3
19G32.3Very low38Very low78 Ų78115.5 Ų115.580%0.80480%0.797SS**  trans146.885155.200000117.6
20T37.5Very low38Very low136 Ų136113.7 Ų113.783%0.83479%0.794SS**  trans-28.5144.8153.931.60000118.3
21S41.9Very low38.4Very low120 Ų120114.7 Ų114.784%0.83979%0.794SS**  170.9113.2118.9-70.90000108.5
22G34Very low38.7Very low77 Ų77113.9 Ų113.979%0.79479%0.788SS**  92.7111.792.700000109.2
23S40.3Very low39.1Very low120 Ų120112.6 Ų112.684%0.83978%0.781SS**  -161.11378539.40000113.3
24S44Very low39.8Very low99 Ų99109 Ų10969%0.69277%0.768SS**  trans-48.3147.916644.80000115.6
25S43.2Very low40.5Very low130 Ų130110.3 Ų110.391%0.90977%0.769SS**  trans-138.387141-70.40000108.5
26S46.3Very low41.3Very low95 Ų95111.5 Ų111.566%0.66477%0.769SS**  trans-69.4136.4153.749.70000109.1
27N42.5Very low42.3Very low162 Ų162111.5 Ų111.587%0.86677%0.769SS**  trans166101.9147.4-81.3-16.1000104.3
28G41.3Very low44.2Very low78 Ų78108.2 Ų108.280%0.80475%0.749SS**  cis96.8103.34900000107.3
29A37.3Very low46.7Very low106 Ų106108.2 Ų108.288%0.87673%0.725SS**  trans-179.6114.7157.900000111
30G38.5Very low49.3Very low62 Ų62109.7 Ų109.764%0.63971%0.711SS**  trans78.382151.800000116.7S32G30-S32 PolarHBondContact O-N 3.41Å
31D44.3Very low51.9Low150 Ų150103.2 Ų103.280%0.80267%0.671SS**  trans-68.268141.9-176.433.1000107.9T33D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 3.04Å
32S45.8Very low54.2Low90 Ų90101.2 Ų101.263%0.62965%0.651SS**  trans-72.4100.4156.2-53.60000103.1G30 N34G30-S32 PolarHBondContact O-N 3.41Å; S32-N34 PolarHBondContact O-N 3.24Å
33T45.9Very low56.8Low104 Ų104100.7 Ų100.764%0.63863%0.629SS**  trans-58.76716036.40000108.9D31 Q35D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 3.04Å; T33-Q35 PolarHBondContact O-N 3.3Å
34N46.9Very low59.2Low123 Ų12397.9 Ų97.966%0.65861%0.609SS**  trans-66.286144.7-109.3-58.6000103.3S32 D36S32-N34 PolarHBondContact O-N 3.24Å; N34-D36 PolarHBondContact O-N 3.42Å
35Q49.4Very low61.4Low169 Ų16999 Ų9979%0.7961%0.606SS**  trans-6265.8146.1-62-17412.700106.3T33 S37T33-Q35 PolarHBondContact O-N 3.3Å; Q35-S37 PolarHBondContact O-N 3.4Å
36D54.2Low63.5Low116 Ų11697.1 Ų97.162%0.6259%0.586SS**  trans-54105.5152-93-35.9000102.2N34 T38N34-D36 PolarHBondContact O-N 3.42Å; D36-T38 PolarHBondContact O-N 3.45Å
37S61.4Low65.4Low101 Ų10194.8 Ų94.871%0.70657%0.568SS**  trans-68.976.2180340000106.2Q35 F39Q35-S37 PolarHBondContact O-N 3.4Å; S37-F39 PolarHBondContact O-N 3.01Å
38T72.4Confident67.4Low72 Ų7287.2 Ų87.244%0.44253%0.528SS..  trans-61.2125.3174.245.70000106.2D36 E40D36-T38 PolarHBondContact O-N 3.45Å; T38-E40 PolarHBondContact O-N 2.73Å; T38-E40 VanDerWaalsContact O-N 3.12Å
39F81.4Confident69.4Low84 Ų8490.7 Ų90.737%0.36852%0.521SS..  trans-66.3115.3179-64.3-73000108.4S37 A48 L59 L93S37-F39 PolarHBondContact O-N 3.01Å; F39-A48 HydrophobicContact CB-CB 4.33Å; F39-A48 VanDerWaalsContact O-CB 3.29Å; F39-A48 WeakPolarHBondContact O-CB 2.93Å; F39-A48 PolarHBondContact O-N 3.39Å; F39-L59 HydrophobicContact CB-CD1 3.79Å; F39-L59 HydrophobicContact CB-CD2 4.05Å; F39-L59 HydrophobicContact CD1-CD1 3.53Å; F39-L59 HydrophobicContact CE1-CD1 4.44Å; F39-L59 HydrophobicContact CG-CD1 3.95Å; F39-L93 HydrophobicContact CE1-CD1 4.45Å
40E87.9Confident71.7Confident109 Ų10989.2 Ų89.251%0.50950%0.498SS..BIsolated β-bridgetrans-96.8135.8179.9-167.3-172.5151.900111.1T38 L45 L59T38-E40 PolarHBondContact O-N 2.73Å; T38-E40 VanDerWaalsContact O-N 3.12Å; E40-L45 WeakPolarHBondContact OE1-CA 3.46Å; E40-L59 WeakPolarHBondContact O-CD2 3.44Å
41C90.6Very high74.1Confident0 Ų086.7 Ų86.70%047%0.471CS..  trans-84.2126.1176.1170.80000112.1I43 C44 L45 D46 A48 F60 C61C41-I43 PolarHBondContact O-N 2.95Å; C41-I43 PolarHBondContact SG-N 3.23Å; C41-I43 VanDerWaalsContact SG-N 3.36Å; C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.48Å; C41-L45 PolarHBondContact O-N 3.46Å; C41-D46 PolarHBondContact N-O 2.8Å; C41-A48 HydrophobicContact CB-CB 4.24Å; C41-F60 VanDerWaalsContact SG-CA 3.58Å; C41-C61 WeakPolarHBondContact CB-SG 3.1Å; C41-C61 PolarHBondContact SG-N 3.37Å
42N90Very high76.3Confident79 Ų7979.7 Ų79.742%0.42243%0.434SS..THydrogen-bonded Turntrans-69.74.7178.9-68.5-86.6000115.7L59 F60 V80N42-L59 PolarHBondContact N-O 2.82Å; N42-L59 PolarHBondContact ND2-O 3.07Å; N42-F60 HydrophobicContact CB-CD1 3.98Å; N42-F60 HydrophobicContact CB-CE1 3.61Å; N42-V80 HydrophobicContact CB-CG2 3.86Å
43I90.3Very high78.5Confident66 Ų6677.4 Ų77.434%0.33842%0.415SS..THydrogen-bonded Turntrans-111.4-49177.1-65.1162.4000110.6C41 F60 C64 P79C41-I43 PolarHBondContact O-N 2.95Å; C41-I43 PolarHBondContact SG-N 3.23Å; C41-I43 VanDerWaalsContact SG-N 3.36Å; I43-F60 HydrophobicContact CD1-CB 4.31Å; I43-F60 HydrophobicContact CD1-CD1 3.52Å; I43-F60 HydrophobicContact CD1-CE1 4.11Å; I43-F60 HydrophobicContact CD1-CG 4.12Å; I43-F60 HydrophobicContact CG1-CD1 3.64Å; I43-F60 HydrophobicContact CG1-CE1 4Å; I43-C64 HydrophobicContact CB-CB 3.92Å; I43-C64 HydrophobicContact CD1-CB 3.73Å; I43-C64 HydrophobicContact CG1-CB 4.44Å; I43-C64 HydrophobicContact CG2-CB 3.91Å; I43-P79 HydrophobicContact CD1-CG 4.14Å; I43-P79 HydrophobicContact CG1-CG 4.26Å
44C90.4Very high80.7Confident60 Ų6072.5 Ų72.541%0.40538%0.384SS..THydrogen-bonded Turntrans-96.9-8.3-179.466.10000114.2C41 D46 C61C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.68Å; C44-D46 PolarHBondContact O-N 3.03Å; C44-C61 VanDerWaalsContact SG-SG 3.69Å
45L89.4Confident82.8Confident122 Ų12272.3 Ų72.364%0.63938%0.383SS*.  trans54.535.7179.2-51.4177.8000113E40 C41E40-L45 WeakPolarHBondContact OE1-CA 3.46Å; C41-L45 VanDerWaalsContact O-CA 3.28Å; C41-L45 WeakPolarHBondContact O-CA 3.48Å; C41-L45 PolarHBondContact O-N 3.46Å
46D88.4Confident84.8Confident91 Ų9166.5 Ų66.549%0.48736%0.36SS..SBendtrans-136171-179.2-168.29000108.9C41 C44 A48C41-D46 PolarHBondContact N-O 2.8Å; C44-D46 PolarHBondContact O-N 3.03Å; D46-A48 PolarHBondContact O-N 2.79Å
47T86.3Confident86.6Confident46 Ų4663.5 Ų63.528%0.28236%0.357SS..BIsolated β-bridgetrans-53.4121.5178-54.40000110.2K49T47-K49 PolarHBondContact O-N 3.3Å
48A84.5Confident88.1Confident4 Ų460.9 Ų60.93%0.03333%0.333CS..  trans-70.1114.6-171.700000111.8F39 C41 D46 A51 L59 C61F39-A48 HydrophobicContact CB-CB 4.33Å; F39-A48 VanDerWaalsContact O-CB 3.29Å; F39-A48 WeakPolarHBondContact O-CB 2.93Å; F39-A48 PolarHBondContact O-N 3.39Å; C41-A48 HydrophobicContact CB-CB 4.24Å; D46-A48 PolarHBondContact O-N 2.79Å; A48-A51 HydrophobicContact CB-CB 3.85Å; A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; A48-C61 VanDerWaalsContact CA-SG 3.6Å
49K83.3Confident89Confident150 Ų15058.3 Ų58.365%0.65232%0.317SS*.THydrogen-bonded Turntrans-89.4131.1171.2-60.3175.5-172.9173.30108.6T47 A51 C61T47-K49 PolarHBondContact O-N 3.3Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 3.03Å; K49-C61 PolarHBondContact N-SG 3.28Å; K49-C61 WeakPolarHBondContact O-CA 3.5Å; K49-C61 WeakPolarHBondContact O-CB 3.22Å
50D84.9Confident89.5Confident75 Ų7554.3 Ų54.340%0.40130%0.299SS..THydrogen-bonded Turntrans49.257.4-171.4-73.9-67.3000111.1V52 W62 R111D50-V52 PolarHBondContact O-N 2.98Å; D50-W62 HydrophobicContact CB-CB 3.83Å; D50-W62 PolarHBondContact O-N 3.16Å; D50-R111 IonicContact OD1-CZ 3.23Å; D50-R111 IonicContact OD1-NH1 3.63Å; D50-R111 IonicContact OD1-NH2 3.03Å; D50-R111 PolarHBondContact OD1-NH2 2.91Å
51A88.4Confident89.7Confident9 Ų949.4 Ų49.47%0.07428%0.277CS..EExtended strand (participates in β ladder)trans-56.9127.9-175.700000111A48 K49 L59 F60 L93A48-A51 HydrophobicContact CB-CB 3.85Å; K49-A51 VanDerWaalsContact C-N 3.35Å; K49-A51 PolarHBondContact O-N 3.03Å; A51-L59 HydrophobicContact CB-CD2 4.25Å; A51-F60 WeakPolarHBondContact CA-O 3.21Å; A51-L93 HydrophobicContact CB-CB 4.17Å; A51-L93 PolarHBondContact O-N 2.83Å
52V91Very high89.7Confident3 Ų351.8 Ų51.82%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-122.7137.9174.3-67.70000109.7D50 L59 F60 W62 L65D50-V52 PolarHBondContact O-N 2.98Å; V52-L59 WeakPolarHBondContact O-CA 3.34Å; V52-F60 HydrophobicContact CG2-CB 4.36Å; V52-F60 WeakPolarHBondContact CG2-O 3.42Å; V52-F60 PolarHBondContact N-O 2.92Å; V52-F60 PolarHBondContact O-N 3.03Å; V52-W62 HydrophobicContact CG1-CB 4.2Å; V52-W62 HydrophobicContact CG1-CE3 3.93Å; V52-W62 HydrophobicContact CG2-CE3 4.39Å; V52-L65 HydrophobicContact CG2-CB 4.33Å; V52-L65 HydrophobicContact CG2-CD2 3.77Å
53I92Very high89.8Confident43 Ų4351.6 Ų51.622%0.22129%0.289CS..EExtended strand (participates in β ladder)trans-103.9132.6172.1-77.5-173.4000109.3L59 I91 L93I53-L59 HydrophobicContact CD1-CD1 4.38Å; I53-L59 HydrophobicContact CG1-CB 4.23Å; I53-L59 HydrophobicContact CG1-CD1 4.19Å; I53-L59 HydrophobicContact CG1-CG 4.25Å; I53-I91 PolarHBondContact N-O 2.87Å; I53-I91 PolarHBondContact O-N 2.83Å; I53-L93 HydrophobicContact CD1-CD1 3.28Å; I53-L93 HydrophobicContact CD1-CD2 4.11Å; I53-L93 HydrophobicContact CD1-CG 3.83Å; I53-L93 HydrophobicContact CG1-CD1 3.57Å; I53-L93 HydrophobicContact CG1-CG 3.9Å
54S91.9Very high89.9Confident1 Ų149.9 Ų49.91%0.00728%0.283CS..  trans-76.8156.4167.457.70000111C56 G57 H58 I85S54-C56 PolarHBondContact O-N 2.99Å; S54-C56 PolarHBondContact OG-SG 2.89Å; S54-G57 PolarHBondContact O-N 3.28Å; S54-H58 PolarHBondContact N-O 3.28Å; S54-H58 PolarHBondContact OG-N 3.02Å; S54-H58 VanDerWaalsContact OG-N 3.15Å; S54-H58 PolarHBondContact OG-O 2.95Å; S54-I85 VanDerWaalsContact CB-CD1 3.43Å
55L90.3Very high90Very high119 Ų11947 Ų4762%0.62326%0.263SS*.THydrogen-bonded Turntrans-56.7-23176.7-64.6179.1000114G57 K89 I91L55-G57 VanDerWaalsContact C-N 3.27Å; L55-G57 PolarHBondContact O-N 3.18Å; L55-K89 HydrophobicContact CD1-CB 4Å; L55-K89 HydrophobicContact CD1-CD 4.13Å; L55-K89 HydrophobicContact CG-CB 4.39Å; L55-K89 WeakPolarHBondContact CG-O 3.29Å; L55-I91 HydrophobicContact CD2-CD1 4.31Å
56C92.1Very high90.1Very high46 Ų4643.1 Ų43.131%0.31124%0.242SC..THydrogen-bonded Turntrans-83.45.8174.765.60000114.5S54 H58 C81 A83S54-C56 PolarHBondContact O-N 2.99Å; S54-C56 PolarHBondContact OG-SG 2.89Å; C56-H58 PolarHBondContact O-ND1 3.22Å; C56-H58 PolarHBondContact SG-ND1 3.24Å; C56-C81 PolarHBondContact SG-SG 2.95Å; C56-A83 HydrophobicContact CB-CB 3.78Å
57G91.1Very high90.3Very high54 Ų5444.5 Ų44.556%0.55725%0.245SC*.SBendtrans85.90.8174.100000116S54 L55S54-G57 PolarHBondContact O-N 3.28Å; L55-G57 VanDerWaalsContact C-N 3.27Å; L55-G57 PolarHBondContact O-N 3.18Å
58H92.9Very high90.6Very high45 Ų4545.2 Ų45.221%0.20824%0.243CC..  trans-84.5137.3178.3-62.789000111.5S54 C56 F60 V80 C81S54-H58 PolarHBondContact N-O 3.28Å; S54-H58 PolarHBondContact OG-N 3.02Å; S54-H58 VanDerWaalsContact OG-N 3.15Å; S54-H58 PolarHBondContact OG-O 2.95Å; C56-H58 PolarHBondContact O-ND1 3.22Å; C56-H58 PolarHBondContact SG-ND1 3.24Å; H58-F60 HydrophobicContact CB-CE2 3.52Å; H58-F60 HydrophobicContact CB-CZ 3.48Å; H58-F60 VanDerWaalsContact CB-CZ 3.48Å; H58-F60 WeakPolarHBondContact O-CE2 3.31Å; H58-V80 HydrophobicContact CB-CG2 4.44Å; H58-V80 WeakPolarHBondContact CD2-CB 3.23Å; H58-V80 VanDerWaalsContact CD2-CG1 3.42Å; H58-V80 WeakPolarHBondContact CD2-CG1 3.38Å; H58-V80 WeakPolarHBondContact NE2-CG1 3.46Å; H58-C81 VanDerWaalsContact CE1-CB 3.48Å; H58-C81 WeakPolarHBondContact CE1-CB 3.22Å; H58-C81 PolarHBondContact CE1-SG 2.8Å; H58-C81 PolarHBondContact ND1-SG 3.22Å
59L91.7Very high90.9Very high19 Ų1945.5 Ų45.510%0.09924%0.244CC..EExtended strand (participates in β ladder)trans-101.6134.9-175.5-167.6149.6000111.9F39 E40 N42 A48 A51 V52 I53 L93F39-L59 HydrophobicContact CB-CD1 3.79Å; F39-L59 HydrophobicContact CB-CD2 4.05Å; F39-L59 HydrophobicContact CD1-CD1 3.53Å; F39-L59 HydrophobicContact CE1-CD1 4.44Å; F39-L59 HydrophobicContact CG-CD1 3.95Å; E40-L59 WeakPolarHBondContact O-CD2 3.44Å; N42-L59 PolarHBondContact N-O 2.82Å; N42-L59 PolarHBondContact ND2-O 3.07Å; A48-L59 HydrophobicContact CB-CD2 3.48Å; A48-L59 VanDerWaalsContact CB-CD2 3.48Å; A51-L59 HydrophobicContact CB-CD2 4.25Å; V52-L59 WeakPolarHBondContact O-CA 3.34Å; I53-L59 HydrophobicContact CD1-CD1 4.38Å; I53-L59 HydrophobicContact CG1-CB 4.23Å; I53-L59 HydrophobicContact CG1-CD1 4.19Å; I53-L59 HydrophobicContact CG1-CG 4.25Å; L59-L93 HydrophobicContact CD1-CD1 3.69Å
60F92.8Very high91.2Very high0 Ų043.3 Ų43.30%024%0.236CC..EExtended strand (participates in β ladder)trans-143.3161.2-179.7-49.8-78.3000111.7C41 N42 I43 A51 V52 H58 L65 P79 V80C41-F60 VanDerWaalsContact SG-CA 3.58Å; N42-F60 HydrophobicContact CB-CD1 3.98Å; N42-F60 HydrophobicContact CB-CE1 3.61Å; I43-F60 HydrophobicContact CD1-CB 4.31Å; I43-F60 HydrophobicContact CD1-CD1 3.52Å; I43-F60 HydrophobicContact CD1-CE1 4.11Å; I43-F60 HydrophobicContact CD1-CG 4.12Å; I43-F60 HydrophobicContact CG1-CD1 3.64Å; I43-F60 HydrophobicContact CG1-CE1 4Å; A51-F60 WeakPolarHBondContact CA-O 3.21Å; V52-F60 HydrophobicContact CG2-CB 4.36Å; V52-F60 WeakPolarHBondContact CG2-O 3.42Å; V52-F60 PolarHBondContact N-O 2.92Å; V52-F60 PolarHBondContact O-N 3.03Å; H58-F60 HydrophobicContact CB-CE2 3.52Å; H58-F60 HydrophobicContact CB-CZ 3.48Å; H58-F60 VanDerWaalsContact CB-CZ 3.48Å; H58-F60 WeakPolarHBondContact O-CE2 3.31Å; F60-L65 HydrophobicContact CB-CB 4.11Å; F60-L65 HydrophobicContact CD2-CD1 4.11Å; F60-L65 HydrophobicContact CD2-CD2 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.47Å; F60-L65 HydrophobicContact CG-CD1 4.45Å; F60-P79 HydrophobicContact CE1-CB 4.36Å; F60-P79 HydrophobicContact CE1-CG 3.93Å; F60-P79 HydrophobicContact CZ-CG 4.07Å; F60-V80 HydrophobicContact CE1-CG2 4.11Å; F60-V80 HydrophobicContact CZ-CG2 4.05Å
61C91.6Very high91.4Very high6 Ų644 Ų444%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-70.1140.5161-57.70000109.4C41 C44 A48 K49 P63 C64 L65C41-C61 WeakPolarHBondContact CB-SG 3.1Å; C41-C61 PolarHBondContact SG-N 3.37Å; C44-C61 VanDerWaalsContact SG-SG 3.69Å; A48-C61 VanDerWaalsContact CA-SG 3.6Å; K49-C61 PolarHBondContact N-SG 3.28Å; K49-C61 WeakPolarHBondContact O-CA 3.5Å; K49-C61 WeakPolarHBondContact O-CB 3.22Å; C61-P63 HydrophobicContact CB-CG 4.1Å; C61-C64 HydrophobicContact CB-CB 4.02Å; C61-C64 PolarHBondContact O-N 3.36Å; C61-C64 VanDerWaalsContact O-N 3.16Å; C61-L65 PolarHBondContact O-N 3.16Å
62W91.3Very high91.2Very high49 Ų4949.3 Ų49.319%0.18626%0.261CS..Hα-helixtrans-49.1-51.4171.8177.5-117.1000114D50 V52 C64 L65 H66 R87 V90D50-W62 HydrophobicContact CB-CB 3.83Å; D50-W62 PolarHBondContact O-N 3.16Å; V52-W62 HydrophobicContact CG1-CB 4.2Å; V52-W62 HydrophobicContact CG1-CE3 3.93Å; V52-W62 HydrophobicContact CG2-CE3 4.39Å; W62-C64 VanDerWaalsContact C-N 3.32Å; W62-C64 PolarHBondContact O-N 2.82Å; W62-L65 PolarHBondContact O-N 3Å; W62-H66 WeakPolarHBondContact O-CB 3.3Å; W62-H66 PolarHBondContact O-N 3.22Å; W62-R87 HydrophobicContact CH2-CG 3.97Å; W62-V90 HydrophobicContact CE3-CG2 4.43Å; W62-V90 HydrophobicContact CZ3-CG2 3.67Å
63P92Very high90.7Very high75 Ų7553.4 Ų53.449%0.48729%0.288SS..Hα-helixtrans-62.9-35.8179.323.9-35.3000113.2C61 Q67C61-P63 HydrophobicContact CB-CG 4.1Å; P63-Q67 WeakPolarHBondContact O-CB 3.46Å; P63-Q67 PolarHBondContact O-N 3.5Å
64C92.9Very high90.3Very high30 Ų3059 Ų5920%0.20332%0.318CS..Hα-helixtrans-67.1-45.6178.9-65.10000111.6I43 C61 W62 H66 W68I43-C64 HydrophobicContact CB-CB 3.92Å; I43-C64 HydrophobicContact CD1-CB 3.73Å; I43-C64 HydrophobicContact CG1-CB 4.44Å; I43-C64 HydrophobicContact CG2-CB 3.91Å; C61-C64 HydrophobicContact CB-CB 4.02Å; C61-C64 PolarHBondContact O-N 3.36Å; C61-C64 VanDerWaalsContact O-N 3.16Å; W62-C64 VanDerWaalsContact C-N 3.32Å; W62-C64 PolarHBondContact O-N 2.82Å; C64-H66 VanDerWaalsContact C-N 3.35Å; C64-W68 PolarHBondContact O-N 3.48Å
65L92.6Very high89.9Confident0 Ų068 Ų680%035%0.352CS..Hα-helixtrans-68-38.8178.3-174.961.9000111.5V52 F60 C61 W62 W68 L69 I85 V90V52-L65 HydrophobicContact CG2-CB 4.33Å; V52-L65 HydrophobicContact CG2-CD2 3.77Å; F60-L65 HydrophobicContact CB-CB 4.11Å; F60-L65 HydrophobicContact CD2-CD1 4.11Å; F60-L65 HydrophobicContact CD2-CD2 4.34Å; F60-L65 HydrophobicContact CE2-CD1 4.47Å; F60-L65 HydrophobicContact CG-CD1 4.45Å; C61-L65 PolarHBondContact O-N 3.16Å; W62-L65 PolarHBondContact O-N 3Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 3.49Å; L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.36Å; L65-I85 HydrophobicContact CD1-CD1 4.03Å; L65-I85 HydrophobicContact CD2-CD1 3.89Å; L65-I85 HydrophobicContact CG-CD1 4.49Å; L65-V90 HydrophobicContact CD2-CG1 3.78Å
66H91.5Very high89.8Confident41 Ų4166.2 Ų66.219%0.1934%0.34CS..Hα-helixtrans-58.8-52.3176.7-175.4-81.5000112W62 C64 W68 L69 E70 R87W62-H66 WeakPolarHBondContact O-CB 3.3Å; W62-H66 PolarHBondContact O-N 3.22Å; C64-H66 VanDerWaalsContact C-N 3.35Å; H66-W68 PolarHBondContact O-N 3.07Å; H66-L69 PolarHBondContact O-N 2.96Å; H66-L69 VanDerWaalsContact O-N 3.16Å; H66-E70 IonicContact CE1-OE1 2.83Å; H66-E70 PolarHBondContact CE1-OE1 3.3Å; H66-E70 IonicContact CE1-OE2 2.8Å; H66-E70 PolarHBondContact CE1-OE2 3.01Å; H66-E70 VanDerWaalsContact CE1-OE2 3.23Å; H66-E70 IonicContact ND1-OE1 3.52Å; H66-E70 PolarHBondContact ND1-OE1 2.82Å; H66-E70 IonicContact ND1-OE2 3.39Å; H66-E70 PolarHBondContact ND1-OE2 3.21Å; H66-E70 IonicContact NE2-OE1 3.67Å; H66-E70 WeakPolarHBondContact O-CG 3.43Å; H66-E70 PolarHBondContact O-N 3.23Å; H66-R87 PolarHBondContact CD2-NH1 3.34Å; H66-R87 PolarHBondContact CD2-NH2 2.87Å; H66-R87 PolarHBondContact NE2-NH1 3.16Å; H66-R87 PolarHBondContact NE2-NH2 3.44Å
67Q92.4Very high89.8Confident119 Ų11966.1 Ų66.156%0.55634%0.338SS*.Hα-helixtrans-57.3-39.6177.4-171.867.42600111.6P63 E70 T71P63-Q67 WeakPolarHBondContact O-CB 3.46Å; P63-Q67 PolarHBondContact O-N 3.5Å; Q67-E70 PolarHBondContact O-N 3.33Å; Q67-T71 WeakPolarHBondContact O-CB 3.48Å; Q67-T71 PolarHBondContact O-N 3.18Å; Q67-T71 PolarHBondContact O-OG1 3.04Å
68W91.6Very high89.9Confident62 Ų6263.6 Ų63.624%0.23531%0.312CS..Hα-helixtrans-62.6-46.3177.7178.6-99.2000112.5C64 L65 H66 T71 R72 V77 P79C64-W68 PolarHBondContact O-N 3.48Å; L65-W68 WeakPolarHBondContact O-CB 3.19Å; L65-W68 PolarHBondContact O-N 3.49Å; H66-W68 PolarHBondContact O-N 3.07Å; W68-T71 PolarHBondContact O-N 2.83Å; W68-R72 VanDerWaalsContact CH2-CZ 3.46Å; W68-R72 VanDerWaalsContact CH2-NH1 3.27Å; W68-R72 PolarHBondContact O-N 3.29Å; W68-V77 PolarHBondContact NE1-O 3.48Å; W68-P79 HydrophobicContact CD2-CG 4.03Å; W68-P79 HydrophobicContact CG-CG 4.12Å; W68-P79 HydrophobicContact CZ2-CB 4.21Å; W68-P79 HydrophobicContact CZ2-CG 4.28Å
69L90Very high89.8Confident9 Ų963.4 Ų63.45%0.04732%0.315CS..Hα-helixtrans-67.7-35.3179.1-65.5175.8000112.2L65 H66 R72 Q76 I85 R87L65-L69 HydrophobicContact CG-CD1 4.27Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 3.36Å; H66-L69 PolarHBondContact O-N 2.96Å; H66-L69 VanDerWaalsContact O-N 3.16Å; L69-R72 CarbonylContact O-C 3.35Å; L69-R72 PolarHBondContact O-N 2.99Å; L69-Q76 HydrophobicContact CD2-CB 4.03Å; L69-Q76 HydrophobicContact CD2-CG 4.37Å; L69-I85 HydrophobicContact CD2-CG2 3.78Å; L69-R87 HydrophobicContact CD1-CB 4.28Å
70E89.9Confident89.8Confident104 Ų10465.8 Ų65.849%0.48633%0.33SS..Hα-helixtrans-70.8-35.8176.8-74-177.9152.600113H66 Q67 R72H66-E70 IonicContact CE1-OE1 2.83Å; H66-E70 PolarHBondContact CE1-OE1 3.3Å; H66-E70 IonicContact CE1-OE2 2.8Å; H66-E70 PolarHBondContact CE1-OE2 3.01Å; H66-E70 VanDerWaalsContact CE1-OE2 3.23Å; H66-E70 IonicContact ND1-OE1 3.52Å; H66-E70 PolarHBondContact ND1-OE1 2.82Å; H66-E70 IonicContact ND1-OE2 3.39Å; H66-E70 PolarHBondContact ND1-OE2 3.21Å; H66-E70 IonicContact NE2-OE1 3.67Å; H66-E70 WeakPolarHBondContact O-CG 3.43Å; H66-E70 PolarHBondContact O-N 3.23Å; Q67-E70 PolarHBondContact O-N 3.33Å; E70-R72 PolarHBondContact O-N 2.82Å
71T88.8Confident89.7Confident90 Ų9068.6 Ų68.655%0.55235%0.349SS*.Hα-helixtrans-66.9-24.8177.2-530000111.5Q67 W68Q67-T71 WeakPolarHBondContact O-CB 3.48Å; Q67-T71 PolarHBondContact O-N 3.18Å; Q67-T71 PolarHBondContact O-OG1 3.04Å; W68-T71 PolarHBondContact O-N 2.83Å
72R84.9Confident89.7Confident120 Ų12076.1 Ų76.145%0.45338%0.381SS..  trans-134.466.6-173.5-60.9-178.8-174.2-173.82.6111.9W68 L69 E70 N74 R75W68-R72 VanDerWaalsContact CH2-CZ 3.46Å; W68-R72 VanDerWaalsContact CH2-NH1 3.27Å; W68-R72 PolarHBondContact O-N 3.29Å; L69-R72 CarbonylContact O-C 3.35Å; L69-R72 PolarHBondContact O-N 2.99Å; E70-R72 PolarHBondContact O-N 2.82Å; R72-N74 VanDerWaalsContact C-N 3.27Å; R72-N74 PolarHBondContact O-N 3.15Å; R72-R75 CarbonylContact O-C 3.34Å; R72-R75 PolarHBondContact O-N 3.01Å
73P81.3Confident89.7Confident90 Ų9075.5 Ų75.558%0.58439%0.387SS*.THydrogen-bonded Turntrans-63.2-33.6-175.525.8-34.1000112.6R75P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 2.94Å
74N83.1Confident89.5Confident161 Ų16175.3 Ų75.386%0.86140%0.398SS*.THydrogen-bonded Turntrans-76.2-12.4178.8-70.4-24.1000113.9R72R72-N74 VanDerWaalsContact C-N 3.27Å; R72-N74 PolarHBondContact O-N 3.15Å
75R83.4Confident89.4Confident190 Ų19074.5 Ų74.572%0.71739%0.391SS*.  trans-140.980.9-175.9-68.1-170.1-178.5176.52110.5R72 P73 V77R72-R75 CarbonylContact O-C 3.34Å; R72-R75 PolarHBondContact O-N 3.01Å; P73-R75 VanDerWaalsContact C-N 3.29Å; P73-R75 PolarHBondContact O-N 2.94Å; R75-V77 PolarHBondContact O-N 2.96Å
76Q88.6Confident89.1Confident80 Ų8075.6 Ų75.637%0.37440%0.399SS..  trans-8086174.8-52.5-167.6-16.400109.9L69 G84 I85L69-Q76 HydrophobicContact CD2-CB 4.03Å; L69-Q76 HydrophobicContact CD2-CG 4.37Å; Q76-G84 WeakPolarHBondContact O-CA 3.28Å; Q76-I85 HydrophobicContact CB-CG2 4.5Å; Q76-I85 WeakPolarHBondContact CB-O 3.42Å; Q76-I85 PolarHBondContact O-N 3.02Å; Q76-I85 PolarHBondContact OE1-O 2.83Å
77V92.3Very high88.8Confident44 Ų4478 Ų7827%0.26741%0.406SS..BIsolated β-bridgetrans-126147-178.3-63.90000111.5W68 R75 A83W68-V77 PolarHBondContact NE1-O 3.48Å; R75-V77 PolarHBondContact O-N 2.96Å; V77-A83 CarbonylContact C-O 3.52Å; V77-A83 VanDerWaalsContact CA-O 3.31Å; V77-A83 WeakPolarHBondContact CA-O 3.42Å
78C92.8Very high88.3Confident1 Ų178.7 Ų78.71%0.00741%0.414CS..  trans-61132.61741790000110.9V80 C81 K82 A83C78-V80 PolarHBondContact O-N 3.19Å; C78-V80 PolarHBondContact SG-N 3.46Å; C78-C81 VanDerWaalsContact SG-SG 3.66Å; C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 3.25Å; C78-A83 PolarHBondContact N-O 3.12Å
79P90.3Very high88Confident41 Ų4182 Ų8227%0.26643%0.43SS..THydrogen-bonded Turntrans-58-29.7176.6-22.429.6000114.1I43 F60 W68I43-P79 HydrophobicContact CD1-CG 4.14Å; I43-P79 HydrophobicContact CG1-CG 4.26Å; F60-P79 HydrophobicContact CE1-CB 4.36Å; F60-P79 HydrophobicContact CE1-CG 3.93Å; F60-P79 HydrophobicContact CZ-CG 4.07Å; W68-P79 HydrophobicContact CD2-CG 4.03Å; W68-P79 HydrophobicContact CG-CG 4.12Å; W68-P79 HydrophobicContact CZ2-CB 4.21Å; W68-P79 HydrophobicContact CZ2-CG 4.28Å
80V91.8Very high88Confident69 Ų6982.6 Ų82.642%0.41843%0.434SS..THydrogen-bonded Turntrans-91.9-61.4-173.5-172.50000111.2N42 H58 F60 C78N42-V80 HydrophobicContact CB-CG2 3.86Å; H58-V80 HydrophobicContact CB-CG2 4.44Å; H58-V80 WeakPolarHBondContact CD2-CB 3.23Å; H58-V80 VanDerWaalsContact CD2-CG1 3.42Å; H58-V80 WeakPolarHBondContact CD2-CG1 3.38Å; H58-V80 WeakPolarHBondContact NE2-CG1 3.46Å; F60-V80 HydrophobicContact CE1-CG2 4.11Å; F60-V80 HydrophobicContact CZ-CG2 4.05Å; C78-V80 PolarHBondContact O-N 3.19Å; C78-V80 PolarHBondContact SG-N 3.46Å
81C91.3Very high87.9Confident59 Ų5982.1 Ų82.140%0.39943%0.434SS..THydrogen-bonded Turntrans-102.7-0.6-173.3670000114.9C56 H58 C78 A83C56-C81 PolarHBondContact SG-SG 2.95Å; H58-C81 VanDerWaalsContact CE1-CB 3.48Å; H58-C81 WeakPolarHBondContact CE1-CB 3.22Å; H58-C81 PolarHBondContact CE1-SG 2.8Å; H58-C81 PolarHBondContact ND1-SG 3.22Å; C78-C81 VanDerWaalsContact SG-SG 3.66Å; C81-A83 PolarHBondContact O-N 2.98Å; C81-A83 VanDerWaalsContact O-N 3.07Å; C81-A83 VanDerWaalsContact SG-CB 3.58Å
82K91.9Very high87.8Confident164 Ų16479.9 Ų79.971%0.71342%0.421SS*.  trans61.711.4-179.1-48.1-179.1-176.9-169.50115.5C78C78-K82 WeakPolarHBondContact O-CA 3.47Å; C78-K82 PolarHBondContact O-N 3.25Å
83A89.6Confident87.9Confident37 Ų3776.9 Ų76.931%0.30641%0.414SS..  trans-61.1146.7172.600000111.2C56 V77 C78 C81 I85C56-A83 HydrophobicContact CB-CB 3.78Å; V77-A83 CarbonylContact C-O 3.52Å; V77-A83 VanDerWaalsContact CA-O 3.31Å; V77-A83 WeakPolarHBondContact CA-O 3.42Å; C78-A83 PolarHBondContact N-O 3.12Å; C81-A83 PolarHBondContact O-N 2.98Å; C81-A83 VanDerWaalsContact O-N 3.07Å; C81-A83 VanDerWaalsContact SG-CB 3.58Å; A83-I85 PolarHBondContact O-N 3.29Å
84G89.2Confident87.6Confident70 Ų7080.6 Ų80.672%0.72242%0.417SS*.BIsolated β-bridgetrans-60.7123.8174.500000110.6Q76Q76-G84 WeakPolarHBondContact O-CA 3.28Å
85I90.5Very high86.8Confident13 Ų1374.6 Ų74.67%0.06739%0.394CS..  trans-123.3148.6177.6-171.5172.6000108S54 L65 L69 Q76 A83 V90S54-I85 VanDerWaalsContact CB-CD1 3.43Å; L65-I85 HydrophobicContact CD1-CD1 4.03Å; L65-I85 HydrophobicContact CD2-CD1 3.89Å; L65-I85 HydrophobicContact CG-CD1 4.49Å; L69-I85 HydrophobicContact CD2-CG2 3.78Å; Q76-I85 HydrophobicContact CB-CG2 4.5Å; Q76-I85 WeakPolarHBondContact CB-O 3.42Å; Q76-I85 PolarHBondContact O-N 3.02Å; Q76-I85 PolarHBondContact OE1-O 2.83Å; A83-I85 PolarHBondContact O-N 3.29Å; I85-V90 HydrophobicContact CD1-CG1 3.94Å; I85-V90 HydrophobicContact CG1-CG1 4.16Å
86S86.6Confident85.9Confident24 Ų2478.4 Ų78.417%0.16841%0.408CS..  trans-132.2149.8170.859.60000109.9D88 K89S86-D88 PolarHBondContact O-N 3.19Å; S86-K89 PolarHBondContact O-N 2.92Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.4Å; S86-K89 WeakPolarHBondContact OG-CD 3.49Å; S86-K89 WeakPolarHBondContact OG-CG 3.48Å
87R84.5Confident84.3Confident90 Ų9075.9 Ų75.934%0.3440%0.403SS..G310 helixtrans-55.8-34.6-176.6-170.9-175.7175.8115.40.3113W62 H66 L69 V90W62-R87 HydrophobicContact CH2-CG 3.97Å; H66-R87 PolarHBondContact CD2-NH1 3.34Å; H66-R87 PolarHBondContact CD2-NH2 2.87Å; H66-R87 PolarHBondContact NE2-NH1 3.16Å; H66-R87 PolarHBondContact NE2-NH2 3.44Å; L69-R87 HydrophobicContact CD1-CB 4.28Å; R87-V90 VanDerWaalsContact O-CG2 3.22Å; R87-V90 WeakPolarHBondContact O-CG2 3.33Å
88D82.9Confident82.6Confident134 Ų13476.8 Ų76.872%0.71741%0.412SS*.G310 helixtrans-85.5-9-178.3-46.6-60.4000113.6S86S86-D88 PolarHBondContact O-N 3.19Å
89K84.6Confident80.8Confident131 Ų13183 Ų8357%0.5745%0.449SS*.G310 helixtrans-108.626.4-177.2-64-177.9-168.1179.10112.7L55 S86L55-K89 HydrophobicContact CD1-CB 4Å; L55-K89 HydrophobicContact CD1-CD 4.13Å; L55-K89 HydrophobicContact CG-CB 4.39Å; L55-K89 WeakPolarHBondContact CG-O 3.29Å; S86-K89 PolarHBondContact O-N 2.92Å; S86-K89 VanDerWaalsContact OG-CB 3.3Å; S86-K89 WeakPolarHBondContact OG-CB 3.4Å; S86-K89 WeakPolarHBondContact OG-CD 3.49Å; S86-K89 WeakPolarHBondContact OG-CG 3.48Å
90V88.9Confident79.4Confident23 Ų2383.7 Ų83.714%0.13947%0.465CS..  trans-100139.2174.7-660000110.2W62 L65 I85 R87W62-V90 HydrophobicContact CE3-CG2 4.43Å; W62-V90 HydrophobicContact CZ3-CG2 3.67Å; L65-V90 HydrophobicContact CD2-CG1 3.78Å; I85-V90 HydrophobicContact CD1-CG1 3.94Å; I85-V90 HydrophobicContact CG1-CG1 4.16Å; R87-V90 VanDerWaalsContact O-CG2 3.22Å; R87-V90 WeakPolarHBondContact O-CG2 3.33Å
91I88.6Confident77.8Confident94 Ų9489.3 Ų89.348%0.48249%0.486SS..EExtended strand (participates in β ladder)trans-102.8114.5-176.6-57.5169.4000107.4I53 L55I53-I91 PolarHBondContact N-O 2.87Å; I53-I91 PolarHBondContact O-N 2.83Å; L55-I91 HydrophobicContact CD2-CD1 4.31Å
92P87.6Confident76.1Confident42 Ų4294.9 Ų94.927%0.27351%0.506SS..EExtended strand (participates in β ladder)trans-70.4134.6175.428.9-32.8000110.3Y94P92-Y94 HydrophobicContact CB-CE1 4.48Å; P92-Y94 HydrophobicContact CB-CE2 3.96Å; P92-Y94 HydrophobicContact CG-CE2 3.85Å
93L85.3Confident74.4Confident57 Ų5791.1 Ų91.130%0.29849%0.494SS..  trans-98.8122173.1-74.9-173.6000110.4F39 A51 I53 L59F39-L93 HydrophobicContact CE1-CD1 4.45Å; A51-L93 HydrophobicContact CB-CB 4.17Å; A51-L93 PolarHBondContact O-N 2.83Å; I53-L93 HydrophobicContact CD1-CD1 3.28Å; I53-L93 HydrophobicContact CD1-CD2 4.11Å; I53-L93 HydrophobicContact CD1-CG 3.83Å; I53-L93 HydrophobicContact CG1-CD1 3.57Å; I53-L93 HydrophobicContact CG1-CG 3.9Å; L59-L93 HydrophobicContact CD1-CD1 3.69Å
94Y75.1Confident72.9Confident169 Ų16993.2 Ų93.266%0.66351%0.505SS*.  trans-107.486.6171.6-53.3-73.4000108P92P92-Y94 HydrophobicContact CB-CE1 4.48Å; P92-Y94 HydrophobicContact CB-CE2 3.96Å; P92-Y94 HydrophobicContact CG-CE2 3.85Å
95G67.8Low71.5Confident35 Ų35100.3 Ų100.336%0.36151%0.51SS..  trans-107.5149.4-178.700000112.8G97G95-G97 PolarHBondContact O-N 3.48Å
96R62.9Low70.1Confident270 Ų270108 Ų108100%1.01955%0.546SS*.THydrogen-bonded Turntrans-75.327.9177.7-61.8173.994.8123.4-2.2113.8
97G55Low69Low27 Ų27115.7 Ų115.728%0.27858%0.576SS.*THydrogen-bonded Turntrans-122-1.6-171.800000115.4G95 T99G95-G97 PolarHBondContact O-N 3.48Å; G97-T99 PolarHBondContact O-N 2.78Å
98S57.3Low67.6Low63 Ų63117.6 Ų117.644%0.44160%0.597SS.*  trans-87.3102.717460.50000109.2G100S98-G100 PolarHBondContact O-N 3.26Å
99T54.9Low66.8Low130 Ų130116.5 Ų116.580%0.79860%0.598SS**SBendtrans-63.680.8170.844.10000109.9G97G97-T99 PolarHBondContact O-N 2.78Å
100G60.6Low65.7Low57 Ų57116.2 Ų116.259%0.58861%0.609SS**  trans156.854.5-173.200000111.2S98 Q102S98-G100 PolarHBondContact O-N 3.26Å; G100-Q102 PolarHBondContact O-N 3.39Å
101Q57.7Low64.3Low187 Ų187119.3 Ų119.387%0.87462%0.619SS**  trans-68.478.6170.1-165.9-161.110.600109
102Q55.7Low63.3Low176 Ų176118.3 Ų118.382%0.82262%0.618SS**  trans-90.8124152.8-79173.95100106.2G100 P104G100-Q102 PolarHBondContact O-N 3.39Å; Q102-P104 WeakPolarHBondContact O-CD 3.22Å
103D56.3Low62.1Low84 Ų84125.3 Ų125.345%0.44965%0.647SS.*  trans-56.9116.5-177.2-168.3-20.8000109.6R105 E106D103-R105 PolarHBondContact O-N 2.68Å; D103-R105 WeakPolarHBondContact OD1-CB 3.39Å; D103-R105 WeakPolarHBondContact OD1-CD 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.21Å; D103-R105 PolarHBondContact OD1-N 2.77Å; D103-R105 VanDerWaalsContact OD1-N 3.16Å; D103-E106 PolarHBondContact O-N 2.99Å
104P59.1Low61.4Low82 Ų82125.7 Ų125.753%0.53266%0.664SS.*G310 helixtrans-60.8-1.9179.1-24.135.1000114.6Q102 E106Q102-P104 WeakPolarHBondContact O-CD 3.22Å; P104-E106 VanDerWaalsContact C-N 3.29Å
105R59.1Low60.9Low218 Ų218127.1 Ų127.182%0.82368%0.677SS**G310 helixtrans-72.6-15.9173-67.7172.382.2-169.25.2113.8D103D103-R105 PolarHBondContact O-N 2.68Å; D103-R105 WeakPolarHBondContact OD1-CB 3.39Å; D103-R105 WeakPolarHBondContact OD1-CD 3.44Å; D103-R105 WeakPolarHBondContact OD1-CG 3.21Å; D103-R105 PolarHBondContact OD1-N 2.77Å; D103-R105 VanDerWaalsContact OD1-N 3.16Å
106E62.1Low60.8Low176 Ų176135.3 Ų135.382%0.82270%0.697SS**G310 helixtrans-95.1-1.7-173.8-68.4-163.3159.800115.9D103 P104D103-E106 PolarHBondContact O-N 2.99Å; P104-E106 VanDerWaalsContact C-N 3.29Å
107K63.1Low61Low185 Ų185127.7 Ų127.780%0.80468%0.683SS**SBendtrans-129.184.8176.8-156110.6179.2-167.10112.3
108T54.4Low61.8Low129 Ų129134.9 Ų134.979%0.79171%0.709SS**  trans-51.4133.2159.425.90000109.7
109P66.1Low62.3Low111 Ų111135.8 Ų135.872%0.72171%0.713SS**SBend-107.8165.453.737-34.6000115.1R111P109-R111 PolarHBondContact O-N 2.86Å
110P61.8Low62.9Low126 Ų126137.6 Ų137.682%0.81871%0.713SS**PPolyproline II helixtrans-66.8118.2-170.625.7-34000112.3
111R59Low63Low88 Ų88141.8 Ų141.833%0.33272%0.722SS.*PPolyproline II helixtrans-65.3133.6170.6177.4176.6-99.3138-5.8108.9D50 P109 Q113D50-R111 IonicContact OD1-CZ 3.23Å; D50-R111 IonicContact OD1-NH1 3.63Å; D50-R111 IonicContact OD1-NH2 3.03Å; D50-R111 PolarHBondContact OD1-NH2 2.91Å; P109-R111 PolarHBondContact O-N 2.86Å; R111-Q113 PolarHBondContact O-N 2.76Å
112P67.8Low63.1Low73 Ų73143.9 Ų143.947%0.47472%0.722SS.*PPolyproline II helixtrans-55131.2173.722-31.9000109.4G114P112-G114 PolarHBondContact O-N 2.66Å
113Q63.8Low62.9Low189 Ų189138.4 Ų138.488%0.88371%0.712SS**PPolyproline II helixtrans-62.6130-177.2-68.2-178.2-9.700109R111 Q115R111-Q113 PolarHBondContact O-N 2.76Å; Q113-Q115 PolarHBondContact O-N 3.2Å
114G69.6Low62.6Low64 Ų64137.1 Ų137.166%0.6672%0.719SS**PPolyproline II helixtrans-59129.6170.300000108.7P112 R116P112-G114 PolarHBondContact O-N 2.66Å; G114-R116 PolarHBondContact O-N 2.85Å
115Q65.5Low62.2Low199 Ų199142.4 Ų142.493%0.9373%0.734SS**  trans-68.775.3164.5-76.2178-32.600107.8Q113 P117Q113-Q115 PolarHBondContact O-N 3.2Å; Q115-P117 WeakPolarHBondContact O-CD 3.09Å
116R65.8Low62Low207 Ų207141.8 Ų141.878%0.78174%0.741SS**  trans-83.9103.9163.9-177.2173-173.4174.12.5105.4G114 E118G114-R116 PolarHBondContact O-N 2.85Å; R116-E118 PolarHBondContact O-N 3.24Å
117P66.6Low61.3Low111 Ų111134.6 Ų134.672%0.72171%0.714SS**  trans-52.9132.2162.822-30.2000107.6Q115Q115-P117 WeakPolarHBondContact O-CD 3.09Å
118E72.7Confident59.9Low177 Ų177136 Ų13683%0.82772%0.72SS**  trans-47131.8177.1-165.7107.892.100107.9R116 E120R116-E118 PolarHBondContact O-N 3.24Å; E118-E120 PolarHBondContact O-N 3.2Å
119P67.6Low59.2Low82 Ų82132.8 Ų132.853%0.53271%0.713SS.*  trans-54.7115.1167.823.3-31.9000106.7N121P119-N121 PolarHBondContact O-N 3.26Å
120E67.6Low57.8Low168 Ų168138 Ų13879%0.78572%0.724SS**  trans-48.1110.1174.7-176112.793.800106.5E118 R122E118-E120 PolarHBondContact O-N 3.2Å; E120-R122 PolarHBondContact O-N 3.36Å
121N62.1Low56.7Low146 Ų146135.6 Ų135.678%0.78172%0.723SS**  trans-68.281.5173.2-172.4-21.2000105.4P119 G123P119-N121 PolarHBondContact O-N 3.26Å; N121-G123 PolarHBondContact O-N 3.3Å
122R59.5Low56Low231 Ų231139.6 Ų139.687%0.87275%0.751SS**  trans-67.889.1170.4-148.1-179.5172109.2-1.5103.6E120E120-R122 PolarHBondContact O-N 3.36Å
123G52.5Low55.1Low60 Ų60139 Ų13962%0.61976%0.757SS**  trans-46.2141.1-162.900000112.4N121N121-G123 PolarHBondContact O-N 3.3Å
124G48Very low54.6Low58 Ų58133.1 Ų133.160%0.59875%0.747SS**  trans55.2102152.300000115Q126G124-Q126 VanDerWaalsContact C-N 3.27Å; G124-Q126 PolarHBondContact O-N 3.01Å
125F50.9Low53.4Low192 Ų192138 Ų13884%0.84275%0.751SS**  trans-44.497147.1177.5-108.9000109.3G127F125-G127 VanDerWaalsContact CE1-CA 3.41Å; F125-G127 WeakPolarHBondContact CE1-O 3.04Å; F125-G127 PolarHBondContact O-N 3.19Å
126Q56.5Low52.7Low205 Ų205137.6 Ų137.696%0.95875%0.749SS**  trans-76.864.3165-67.1-131.4-36.900107.6G124G124-Q126 VanDerWaalsContact C-N 3.27Å; G124-Q126 PolarHBondContact O-N 3.01Å
127G47.3Very low51.9Low25 Ų25134.6 Ų134.626%0.25875%0.746SS.*  trans-125.478.4176.100000109.5F125F125-G127 VanDerWaalsContact CE1-CA 3.41Å; F125-G127 WeakPolarHBondContact CE1-O 3.04Å; F125-G127 PolarHBondContact O-N 3.19Å
128F33.3Very low51.4Low215 Ų215134.7 Ų134.794%0.94375%0.749SS**  trans-155.198.9159.4-109-87.3000102.2
129G40.2Very low50.5Low61 Ų61136.7 Ų136.763%0.62976%0.755SS**  cis118.4111.230.500000106.1
130F35Very low49.7Very low221 Ų221135.7 Ų135.797%0.96976%0.76SS**  trans-163.6112.3152.8-97.9-74.3000109.6
131G38.5Very low49Very low76 Ų76136.5 Ų136.578%0.78477%0.768SS**  trans72.993.3144.400000119
132D44.8Very low48.4Very low172 Ų172132.5 Ų132.592%0.9276%0.761SS**SBendtrans65.7101.2136.4-144.19.5000119.4
133G48.9Very low48.1Very low59 Ų59126.5 Ų126.561%0.60876%0.76SS**  trans92.183.2150.700000118.9F135G133-F135 WeakPolarHBondContact O-CE1 3.41Å
134G52.9Low47.7Very low66 Ų66131.1 Ų131.168%0.6876%0.764SS**  trans74.1164.615100000117.4
135F44.2Very low48.1Very low167 Ų167133.4 Ų133.473%0.73277%0.768SS**  trans63.196.3176.257.8-89.8000118.4G133 M137G133-F135 WeakPolarHBondContact O-CE1 3.41Å; F135-M137 HydrophobicContact CB-CE 4.22Å; F135-M137 HydrophobicContact CD2-CE 3.78Å; F135-M137 HydrophobicContact CD2-CG 4.08Å; F135-M137 HydrophobicContact CG-CE 4.2Å; F135-M137 PolarHBondContact O-N 3.27Å
136Q51.2Low48.2Very low190 Ų190131.6 Ų131.689%0.88876%0.76SS**  trans-73.8109.5161.264-167.33.700110
137M49.6Very low47.9Very low145 Ų145123.5 Ų123.571%0.71473%0.732SS**  trans-101.492.9175.7-61.8-84.7-171.400108.4F135 F139F135-M137 HydrophobicContact CB-CE 4.22Å; F135-M137 HydrophobicContact CD2-CE 3.78Å; F135-M137 HydrophobicContact CD2-CG 4.08Å; F135-M137 HydrophobicContact CG-CE 4.2Å; F135-M137 PolarHBondContact O-N 3.27Å; M137-F139 PolarHBondContact O-N 2.85Å
138S55.4Low48.3Very low113 Ų113128.5 Ų128.579%0.7975%0.751SS**  trans-75106.1172.6-58.10000109.8G140S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact O-N 2.9Å
139F55.2Low48.9Very low219 Ų219125.4 Ų125.496%0.96174%0.737SS**  trans-70.986169.1-98.5-98000109.8M137M137-F139 PolarHBondContact O-N 2.85Å
140G50.8Low49.3Very low61 Ų61126.4 Ų126.463%0.62974%0.74SS**SBendtrans-164.594.9174.500000112S138S138-G140 VanDerWaalsContact C-N 3.33Å; S138-G140 PolarHBondContact O-N 2.9Å
141I51.9Low50.1Low185 Ų185120 Ų12095%0.94972%0.719SS**SBendtrans54.776.6169-48170.7000114.3
142G49.3Very low50.8Low61 Ų61119.4 Ų119.463%0.62971%0.707SS**  trans-17514.717300000117.1F144G142-F144 PolarHBondContact O-N 3.33Å
143A52.6Low51.1Low105 Ų105119.5 Ų119.587%0.86870%0.699SS**  trans-85.149.4179.500000112.7
144F45.8Very low51.2Low158 Ų158122 Ų12269%0.69370%0.698SS**SBendtrans-134.4138.3170.3-117.4-99.6000108.8G142 F146 G147G142-F144 PolarHBondContact O-N 3.33Å; F144-F146 HydrophobicContact CD1-CD2 4.45Å; F144-F146 PolarHBondContact O-N 2.87Å; F144-G147 PolarHBondContact O-N 2.99Å
145P56Low51.1Low105 Ų105125.7 Ų125.768%0.68270%0.701SS**THydrogen-bonded Turntrans-60.9-2.4-170.523-34.2000115.5
146F52.2Low51.2Low155 Ų155124.7 Ų124.768%0.6870%0.704SS**THydrogen-bonded Turntrans-102.8-3.6176.7-55.9-73.6000114.3F144 I148 F149F144-F146 HydrophobicContact CD1-CD2 4.45Å; F144-F146 PolarHBondContact O-N 2.87Å; F146-I148 PolarHBondContact O-N 3.18Å; F146-I148 VanDerWaalsContact O-N 3.15Å; F146-F149 PolarHBondContact O-N 3.46Å
147G50.9Low51Low35 Ų35121.4 Ų121.436%0.36169%0.692SS.*Hα-helixtrans-69.6-6.6-178.300000115.6F144 T151F144-G147 PolarHBondContact O-N 2.99Å; G147-T151 PolarHBondContact O-OG1 3.16Å
148I55.7Low50.9Low130 Ų130117.9 Ų117.967%0.66769%0.693SS**Hα-helixtrans-83.5-21-180-47.8-170.8000111.4F146 T151F146-I148 PolarHBondContact O-N 3.18Å; F146-I148 VanDerWaalsContact O-N 3.15Å; I148-T151 PolarHBondContact O-OG1 3.02Å
149F46.5Very low50.8Low149 Ų149123.6 Ų123.665%0.65470%0.697SS**Hα-helixtrans-83.2-26178.3-76.4-81.1000113.6F146F146-F149 PolarHBondContact O-N 3.46Å
150A47.7Very low50.9Low82 Ų82117.8 Ų117.868%0.67868%0.681SS**Hα-helixtrans-76.3-25.9178.800000112.8
151T51Low51.3Low87 Ų87119.8 Ų119.853%0.53468%0.683SS.*Hα-helixtrans-84.2-27.7178.125.10000113G147 I148 F153 I155G147-T151 PolarHBondContact O-OG1 3.16Å; I148-T151 PolarHBondContact O-OG1 3.02Å; T151-F153 PolarHBondContact O-N 3.03Å; T151-I155 WeakPolarHBondContact O-CD1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å
152A54.7Low51.6Low64 Ų64116.7 Ų116.753%0.52968%0.675SS.*Hα-helixtrans-75.5-20.1-17600000115.3
153F50.6Low52.1Low173 Ų173115.6 Ų115.676%0.75966%0.66SS**THydrogen-bonded Turntrans-104.48.8-178.5-68.5-73.4000114.8T151T151-F153 PolarHBondContact O-N 3.03Å
154N50.3Low52.8Low111 Ų111115.2 Ų115.259%0.59465%0.647SS**  trans-14951.2175.6-135.9-89.8000113.1
155I51.2Low53.4Low145 Ų145112.7 Ų112.774%0.74465%0.646SS**SBendtrans-87.54.7178.2-90159.1000113.8T151T151-I155 WeakPolarHBondContact O-CD1 3.32Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å
156N46.5Very low54Low145 Ų145111.5 Ų111.578%0.77565%0.653SS**SBendtrans-114.2-18.1179.6-164.672.5000116.5
157D47.5Very low55Low122 Ų122106.6 Ų106.665%0.65264%0.636SS**SBendtrans-103.896.6178.4-72.2-61.2000109.8R159D157-R159 PolarHBondContact O-N 3.45Å; D157-R159 VanDerWaalsContact O-N 3.11Å
158G46.7Very low56Low70 Ų70109.4 Ų109.472%0.72265%0.647SS**PPolyproline II helixtrans-47.5121.3170.600000109.3P160G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.49Å
159R54.1Low56.5Low233 Ų233109.2 Ų109.288%0.87964%0.644SS**PPolyproline II helixtrans-48.6116177.3-177.3177-176.4139.51.1108.9D157D157-R159 PolarHBondContact O-N 3.45Å; D157-R159 VanDerWaalsContact O-N 3.11Å
160P57.8Low57.9Low98 Ų98106 Ų10664%0.63663%0.628SS**PPolyproline II helixtrans-59.7141.7176.421-29000108.7G158G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.49Å
161P58.2Low59.3Low102 Ų102106.1 Ų106.166%0.66262%0.62SS**PPolyproline II helixtrans-55.4148.7176.424.6-33000109.6A163P161-A163 PolarHBondContact O-N 3.06Å
162P58.8Low60.6Low121 Ų121106.1 Ų106.179%0.78662%0.617SS**PPolyproline II helixtrans-52128.2179.222-32.5000109.9V164P162-V164 PolarHBondContact O-N 3.25Å
163A60.4Low61.6Low37 Ų37108.3 Ų108.331%0.30662%0.616SS.*PPolyproline II helixtrans-57125.9-17400000111P161 Y170P161-A163 PolarHBondContact O-N 3.06Å; A163-Y170 HydrophobicContact CB-CD2 4Å; A163-Y170 HydrophobicContact CB-CG 4.48Å
164V65.4Low62.9Low97 Ų97103.5 Ų103.559%0.58860%0.596SS**PPolyproline II helixtrans-70.1131.4-179.7-1770000109P162 G166 T167P162-V164 PolarHBondContact O-N 3.25Å; V164-G166 PolarHBondContact O-N 2.85Å; V164-T167 HydrophobicContact CB-CG2 4.3Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 PolarHBondContact O-OG1 2.92Å
165P59.6Low64.6Low106 Ų106104.8 Ų104.869%0.68860%0.596SS**THydrogen-bonded Turntrans-54.2125.4178.6-25.633.8000111.7
166G67.6Low66.3Low79 Ų79102.4 Ų102.481%0.81459%0.585SS**THydrogen-bonded Turntrans100.9-2.917900000115.7V164V164-G166 PolarHBondContact O-N 2.85Å
167T74.1Confident68Low52 Ų5298.3 Ų98.332%0.31957%0.568SS.*SBendtrans-85.8149170.559.90000111.4V164 Q169 Y170V164-T167 HydrophobicContact CB-CG2 4.3Å; V164-T167 PolarHBondContact O-N 2.89Å; V164-T167 PolarHBondContact O-OG1 2.92Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Y170 WeakPolarHBondContact O-CB 3.46Å; T167-Y170 PolarHBondContact O-N 3.02Å
168P72.3Confident69.8Low94 Ų94101.4 Ų101.461%0.6157%0.57SS**Hα-helixtrans-58.8-28.3175.721.7-32.1000112.7Y170 V171 D172P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.44Å; P168-V171 WeakPolarHBondContact O-CG2 3.44Å; P168-V171 PolarHBondContact O-N 3.35Å; P168-D172 PolarHBondContact O-N 2.85Å
169Q65.4Low72Confident126 Ų126102 Ų10259%0.58956%0.557SS**Hα-helixtrans-61.6-35.8174.4-62.5-73.5-63.300112.3T167 E173T167-Q169 PolarHBondContact O-N 3.24Å; Q169-E173 WeakPolarHBondContact O-CB 3.48Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3.06Å
170Y75.6Confident73.7Confident82 Ų8298.2 Ų98.232%0.32255%0.546SS..Hα-helixtrans-68.2-37.9178.4-179.6-97000112.5A163 T167 P168 Q174A163-Y170 HydrophobicContact CB-CD2 4Å; A163-Y170 HydrophobicContact CB-CG 4.48Å; T167-Y170 WeakPolarHBondContact O-CB 3.46Å; T167-Y170 PolarHBondContact O-N 3.02Å; P168-Y170 VanDerWaalsContact C-N 3.3Å; P168-Y170 PolarHBondContact O-N 3.44Å; Y170-Q174 HydrophobicContact CD1-CG 4.33Å; Y170-Q174 HydrophobicContact CE1-CG 4.02Å; Y170-Q174 WeakPolarHBondContact O-CB 3.45Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 3.19Å; Y170-Q174 PolarHBondContact OH-NE2 2.84Å
171V77Confident75.3Confident85 Ų8598.9 Ų98.952%0.51554%0.544SS..Hα-helixtrans-71.9-35.8179.5-60.10000111.5P168 Q174 F175P168-V171 WeakPolarHBondContact O-CG2 3.44Å; P168-V171 PolarHBondContact O-N 3.35Å; V171-Q174 PolarHBondContact O-N 2.69Å; V171-F175 WeakPolarHBondContact O-CB 3.42Å; V171-F175 PolarHBondContact O-N 2.97Å
172D78.7Confident77Confident87 Ų87100.5 Ų100.547%0.46554%0.541SS..Hα-helixtrans-66.3-44.6175.4-66.1-28.8000111.1P168 Q174 F175 L176P168-D172 PolarHBondContact O-N 2.85Å; D172-Q174 PolarHBondContact O-N 2.8Å; D172-F175 WeakPolarHBondContact O-CB 3.34Å; D172-F175 PolarHBondContact O-N 3.41Å; D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 2.89Å
173E74.9Confident78.6Confident109 Ų10998 Ų9851%0.50952%0.523SS..Hα-helixtrans-63.6-38175.8-70.7-71.8143.900112.6Q169 S177Q169-E173 WeakPolarHBondContact O-CB 3.48Å; Q169-E173 WeakPolarHBondContact O-CG 3.28Å; Q169-E173 PolarHBondContact O-N 3.06Å; E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 3.4Å
174Q79.3Confident80.1Confident73 Ų7398 Ų9834%0.34152%0.523SS..Hα-helixtrans-67.2-36.1173.6-77.7-163.7-22.900112.7Y170 V171 D172 S177 R178Y170-Q174 HydrophobicContact CD1-CG 4.33Å; Y170-Q174 HydrophobicContact CE1-CG 4.02Å; Y170-Q174 WeakPolarHBondContact O-CB 3.45Å; Y170-Q174 WeakPolarHBondContact O-CG 3.49Å; Y170-Q174 PolarHBondContact O-N 3.19Å; Y170-Q174 PolarHBondContact OH-NE2 2.84Å; V171-Q174 PolarHBondContact O-N 2.69Å; D172-Q174 PolarHBondContact O-N 2.8Å; Q174-S177 WeakPolarHBondContact CA-OG 3.38Å; Q174-S177 PolarHBondContact O-OG 3.37Å; Q174-R178 WeakPolarHBondContact O-CB 3.16Å; Q174-R178 VanDerWaalsContact O-CG 3.28Å; Q174-R178 WeakPolarHBondContact O-CG 3.32Å; Q174-R178 PolarHBondContact O-N 2.91Å; Q174-R178 VanDerWaalsContact O-N 3.16Å
175F86.1Confident81.5Confident137 Ų13799.2 Ų99.260%0.60153%0.526SS*.Hα-helixtrans-68.2-47175.9-178.6-98.4000111.1V171 D172 R178 L179V171-F175 WeakPolarHBondContact O-CB 3.42Å; V171-F175 PolarHBondContact O-N 2.97Å; D172-F175 WeakPolarHBondContact O-CB 3.34Å; D172-F175 PolarHBondContact O-N 3.41Å; F175-R178 PolarHBondContact O-N 2.94Å; F175-L179 HydrophobicContact CE1-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.46Å
176L85.8Confident83.1Confident95 Ų9597.8 Ų97.850%0.49752%0.515SS..Hα-helixtrans-62.9-42.9178.8-71.3171.1000112.2D172 L179 F180D172-L176 WeakPolarHBondContact O-CB 3.34Å; D172-L176 VanDerWaalsContact O-CG 3.32Å; D172-L176 WeakPolarHBondContact O-CG 3.37Å; D172-L176 PolarHBondContact O-N 2.89Å; L176-L179 PolarHBondContact O-N 2.97Å; L176-F180 VanDerWaalsContact O-CB 3.29Å; L176-F180 WeakPolarHBondContact O-CB 3.28Å; L176-F180 PolarHBondContact O-N 3.27Å
177S82.1Confident84.4Confident60 Ų6098.3 Ų98.342%0.4250%0.498SS..Hα-helixtrans-63.9-41.2176.455.20000112.5E173 Q174 L181E173-S177 WeakPolarHBondContact O-CB 3.34Å; E173-S177 PolarHBondContact O-N 2.94Å; E173-S177 PolarHBondContact O-OG 3.4Å; Q174-S177 WeakPolarHBondContact CA-OG 3.38Å; Q174-S177 PolarHBondContact O-OG 3.37Å; S177-L181 WeakPolarHBondContact O-CB 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.44Å
178R86.1Confident85.2Confident187 Ų187101.6 Ų101.671%0.70651%0.511SS*.Hα-helixtrans-66-41.7174.3-74.2179.3-178.9-159.72.3112.3Q174 F175 F182Q174-R178 WeakPolarHBondContact O-CB 3.16Å; Q174-R178 VanDerWaalsContact O-CG 3.28Å; Q174-R178 WeakPolarHBondContact O-CG 3.32Å; Q174-R178 PolarHBondContact O-N 2.91Å; Q174-R178 VanDerWaalsContact O-N 3.16Å; F175-R178 PolarHBondContact O-N 2.94Å; R178-F182 WeakPolarHBondContact O-CB 3.33Å; R178-F182 PolarHBondContact O-N 3.24Å
179L92.3Very high86.3Confident83 Ų83103.8 Ų103.844%0.43551%0.512SS..Hα-helixtrans-63.9-45.8177.6-176.869.4000111.2F175 L176 F182 V183F175-L179 HydrophobicContact CE1-CD2 4.36Å; F175-L179 WeakPolarHBondContact O-CB 3.49Å; F175-L179 PolarHBondContact O-N 3.46Å; L176-L179 PolarHBondContact O-N 2.97Å; L179-F182 PolarHBondContact O-N 2.91Å; L179-V183 WeakPolarHBondContact O-CG2 3.18Å; L179-V183 PolarHBondContact O-N 2.87Å
180F91.1Very high87.7Confident152 Ų152106.3 Ų106.367%0.66752%0.516SS*.Hα-helixtrans-62.7-45.1179.2-176.4-98.9000111.8L176 F182 V183 A184L176-F180 VanDerWaalsContact O-CB 3.29Å; L176-F180 WeakPolarHBondContact O-CB 3.28Å; L176-F180 PolarHBondContact O-N 3.27Å; F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 3.44Å; F180-V183 PolarHBondContact O-N 3.11Å; F180-A184 VanDerWaalsContact O-CB 3.3Å; F180-A184 WeakPolarHBondContact O-CB 3.38Å; F180-A184 PolarHBondContact O-N 2.77Å
181L89.8Confident88.4Confident112 Ų112107.3 Ų107.359%0.58653%0.526SS*.Hα-helixtrans-61.3-40.8174.8-73.7175.8000112S177 A184 L185S177-L181 WeakPolarHBondContact O-CB 3.29Å; S177-L181 WeakPolarHBondContact O-CG 3.31Å; S177-L181 PolarHBondContact O-N 3.44Å; L181-A184 PolarHBondContact O-N 3Å; L181-L185 VanDerWaalsContact O-CG 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.46Å; L181-L185 PolarHBondContact O-N 3.46Å
182F93.9Very high88.9Confident137 Ų137110 Ų11060%0.60154%0.537SS*.Hα-helixtrans-63.2-48176.8-178.6-97.8000111.9R178 L179 F180 A184 L185 V186R178-F182 WeakPolarHBondContact O-CB 3.33Å; R178-F182 PolarHBondContact O-N 3.24Å; L179-F182 PolarHBondContact O-N 2.91Å; F180-F182 VanDerWaalsContact C-N 3.32Å; F180-F182 PolarHBondContact O-N 3.44Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 2.91Å; F182-L185 PolarHBondContact O-N 3.32Å; F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CZ-CG2 4.08Å; F182-V186 WeakPolarHBondContact O-CG2 3.37Å; F182-V186 PolarHBondContact O-N 3.1Å
183V93.8Very high89.2Confident68 Ų68111.6 Ų111.641%0.41254%0.544SS..Hα-helixtrans-61.3-42.1177172.20000110.9L179 F180 L185 V186 I187L179-V183 WeakPolarHBondContact O-CG2 3.18Å; L179-V183 PolarHBondContact O-N 2.87Å; F180-V183 PolarHBondContact O-N 3.11Å; V183-L185 PolarHBondContact O-N 3.26Å; V183-V186 PolarHBondContact O-N 3.48Å; V183-I187 HydrophobicContact CG1-CD1 3.82Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 3.46Å
184A92Very high89.2Confident36 Ų36112.1 Ų112.130%0.29857%0.567SS.*Hα-helixtrans-61.4-42176.400000112.2F180 L181 F182 I187 M188F180-A184 VanDerWaalsContact O-CB 3.3Å; F180-A184 WeakPolarHBondContact O-CB 3.38Å; F180-A184 PolarHBondContact O-N 2.77Å; L181-A184 PolarHBondContact O-N 3Å; F182-A184 VanDerWaalsContact C-N 3.32Å; F182-A184 PolarHBondContact O-N 2.91Å; A184-I187 PolarHBondContact O-N 3.36Å; A184-M188 WeakPolarHBondContact O-CB 3.33Å; A184-M188 WeakPolarHBondContact O-CG 3.3Å; A184-M188 PolarHBondContact O-N 3.31Å
185L93.2Very high89.7Confident123 Ų123114.1 Ų114.164%0.64458%0.579SS**Hα-helixtrans-65.4-39.4176.2-71.6174.7000112.3L181 F182 V183 M188 F189L181-L185 VanDerWaalsContact O-CG 3.28Å; L181-L185 WeakPolarHBondContact O-CG 3.46Å; L181-L185 PolarHBondContact O-N 3.46Å; F182-L185 PolarHBondContact O-N 3.32Å; V183-L185 PolarHBondContact O-N 3.26Å; L185-M188 PolarHBondContact O-N 3.22Å; L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 2.98Å; L185-F189 PolarHBondContact O-N 3.46Å
186V94.6Very high89.9Confident76 Ų76112.9 Ų112.946%0.46158%0.578SS.*Hα-helixtrans-63.4-43.7175.9171.30000111.1F182 V183 F189 W190F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CE1-CG2 3.93Å; F182-V186 HydrophobicContact CZ-CG2 4.08Å; F182-V186 WeakPolarHBondContact O-CG2 3.37Å; F182-V186 PolarHBondContact O-N 3.1Å; V183-V186 PolarHBondContact O-N 3.48Å; V186-F189 PolarHBondContact O-N 3.07Å; V186-W190 WeakPolarHBondContact O-CB 3.43Å; V186-W190 PolarHBondContact O-N 2.93Å
187I93.7Very high90.1Very high90 Ų90113.9 Ų113.946%0.46258%0.582SS.*Hα-helixtrans-65.5-44.7177.3-67.4168000110.8V183 A184 F189 W190 L191V183-I187 HydrophobicContact CG1-CD1 3.82Å; V183-I187 HydrophobicContact CG1-CG1 4.48Å; V183-I187 WeakPolarHBondContact O-CG1 3.27Å; V183-I187 PolarHBondContact O-N 3.46Å; A184-I187 PolarHBondContact O-N 3.36Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.46Å; I187-W190 PolarHBondContact O-N 3.24Å; I187-L191 HydrophobicContact CG2-CD1 4.1Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.19Å; I187-L191 PolarHBondContact O-N 3.36Å
188M91.9Very high90.6Very high121 Ų121117.1 Ų117.160%0.59659%0.592SS**Hα-helixtrans-63.1-40.5178.2-73-72.6-8100112A184 L185 L191 L192A184-M188 WeakPolarHBondContact O-CB 3.33Å; A184-M188 WeakPolarHBondContact O-CG 3.3Å; A184-M188 PolarHBondContact O-N 3.31Å; L185-M188 PolarHBondContact O-N 3.22Å; M188-L191 PolarHBondContact O-N 3.19Å; M188-L192 WeakPolarHBondContact O-CB 3.14Å; M188-L192 PolarHBondContact O-N 3.37Å; M188-L192 VanDerWaalsContact O-N 3.1Å
189F95.1Very high90.9Very high141 Ų141112.7 Ų112.762%0.61858%0.584SS**Hα-helixtrans-66-40.8175.4-178-104.2000111.8L185 V186 I187 L192 I193L185-F189 VanDerWaalsContact O-CB 3.27Å; L185-F189 WeakPolarHBondContact O-CB 2.98Å; L185-F189 PolarHBondContact O-N 3.46Å; V186-F189 PolarHBondContact O-N 3.07Å; I187-F189 VanDerWaalsContact C-N 3.34Å; I187-F189 PolarHBondContact O-N 3.46Å; F189-L192 PolarHBondContact O-N 2.97Å; F189-I193 HydrophobicContact CD1-CD1 3.78Å; F189-I193 HydrophobicContact CD2-CD1 3.97Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE2-CD1 3.49Å; F189-I193 VanDerWaalsContact CE2-CD1 3.49Å; F189-I193 HydrophobicContact CG-CD1 4.12Å; F189-I193 HydrophobicContact CZ-CD1 3.13Å; F189-I193 PolarHBondContact O-N 2.96Å
190W94.2Very high90.8Very high178 Ų178114.7 Ų114.767%0.67459%0.594SS**Hα-helixtrans-62.9-43.3176.2-169.975.6000112V186 I187 L192 I193 A194V186-W190 WeakPolarHBondContact O-CB 3.43Å; V186-W190 PolarHBondContact O-N 2.93Å; I187-W190 PolarHBondContact O-N 3.24Å; W190-L192 VanDerWaalsContact C-N 3.26Å; W190-L192 PolarHBondContact O-N 2.79Å; W190-I193 PolarHBondContact O-N 3.15Å; W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 3.06Å
191L90.2Very high90.8Very high104 Ų104112 Ų11255%0.54559%0.589SS.*Hα-helixtrans-68.8-19.5175.4-70.6176.4000114.3I187 M188I187-L191 HydrophobicContact CG2-CD1 4.1Å; I187-L191 HydrophobicContact CG2-CG 4.46Å; I187-L191 WeakPolarHBondContact O-CG 3.19Å; I187-L191 PolarHBondContact O-N 3.36Å; M188-L191 PolarHBondContact O-N 3.19Å
192L87.4Confident90.8Very high142 Ų142112 Ų11274%0.74359%0.59SS**Hα-helixtrans-84.9-18.1177.1-105.5160.9000113.2M188 F189 W190M188-L192 WeakPolarHBondContact O-CB 3.14Å; M188-L192 PolarHBondContact O-N 3.37Å; M188-L192 VanDerWaalsContact O-N 3.1Å; F189-L192 PolarHBondContact O-N 2.97Å; W190-L192 VanDerWaalsContact C-N 3.26Å; W190-L192 PolarHBondContact O-N 2.79Å
193I86.4Confident90.6Very high119 Ų119109.9 Ų109.961%0.6159%0.589SS**Hα-helixtrans-107-23.4-176.5-71.7165.8000112F189 W190F189-I193 HydrophobicContact CD1-CD1 3.78Å; F189-I193 HydrophobicContact CD2-CD1 3.97Å; F189-I193 HydrophobicContact CE1-CD1 3.28Å; F189-I193 HydrophobicContact CE2-CD1 3.49Å; F189-I193 VanDerWaalsContact CE2-CD1 3.49Å; F189-I193 HydrophobicContact CG-CD1 4.12Å; F189-I193 HydrophobicContact CZ-CD1 3.13Å; F189-I193 PolarHBondContact O-N 2.96Å; W190-I193 PolarHBondContact O-N 3.15Å
194A74.4Confident90.3Very high121 Ų121113.7 Ų113.7100%161%0.605SS**  trans-83.20170.700000111.6W190W190-A194 WeakPolarHBondContact O-CB 3.35Å; W190-A194 PolarHBondContact O-N 3.06Å

Retrieved 194 of 194 residues in 66 ms (Link to these results)