A0A087Y0L9_POEFO Loading...

Glutamyl-tRNA(Gln) amidotransferase subunit C, mitochondrial

Allows the formation of correctly charged Gln-tRNA(Gln) through the transamidation of misacylated Glu-tRNA(Gln) in the mitochondria. The reaction takes place in the presence of glutamine and ATP through an activated gamma-phospho-Glu-tRNA(Gln).

AlphaFold DB , UniProt , Accession A0A087Y0L9, Species POEFO (Poecilia formosa, Amazon molly), Gene GATC, Length 185 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
1M40.3Very low33.5Very low244 Ų244171.4 Ų171.4100%1.20286%0.863SS**  0106.10-90.6161150.600108.8
2T33.2Very low33.2Very low140 Ų140167.1 Ų167.186%0.85985%0.852SS**  trans-2.8118.4169.2-22.60000119.2
3K34.1Very low33.1Very low202 Ų202164.2 Ų164.288%0.87885%0.846SS**PPolyproline II helixtrans-77.6125.5156.9-73.8179175.2178.40108.1
4M35.1Very low32.9Very low175 Ų175158.6 Ų158.686%0.86283%0.829SS**PPolyproline II helixtrans-86.9116.1178.5-155.4-174.676.400109.4
5L36.5Very low33Very low144 Ų144158.6 Ų158.675%0.75483%0.829SS**PPolyproline II helixtrans-72.6138.8163.6-80.9152.2000108.9F7L5-F7 HydrophobicContact CB-CD2 4.33Å; L5-F7 HydrophobicContact CB-CE2 4.26Å; L5-F7 HydrophobicContact CD1-CE2 4.39Å; L5-F7 HydrophobicContact CD2-CE2 4.39Å
6A34.7Very low32.7Very low94 Ų94159 Ų15978%0.77783%0.826SS**  trans-123.4113.9163.900000109
7F32.4Very low32.6Very low164 Ų164159.3 Ų159.372%0.71983%0.826SS**  trans-89.3152176.4-85.7-96.2000111.1L5L5-F7 HydrophobicContact CB-CD2 4.33Å; L5-F7 HydrophobicContact CB-CE2 4.26Å; L5-F7 HydrophobicContact CD1-CE2 4.39Å; L5-F7 HydrophobicContact CD2-CE2 4.39Å
8Q30Very low32.4Very low176 Ų176159.4 Ų159.482%0.82283%0.828SS**  trans70.8138.1150.7-76.5169.9-27.100117.8
9T30.9Very low32.5Very low131 Ų131154.6 Ų154.680%0.80482%0.82SS**  cis-152128.346.341.70000111.8
10L32.6Very low32.7Very low172 Ų172152.2 Ų152.290%0.90182%0.817SS**  trans-91.1124.1161.6-82.7159.8000107.6V12L10-V12 PolarHBondContact O-N 3.27Å
11R29.3Very low32.6Very low243 Ų243149.8 Ų149.892%0.91781%0.809SS**  trans-73109.5168.3-87.3-174177.5-180-0.1108.5
12V29.7Very low32.2Very low120 Ų120144.6 Ų144.673%0.72780%0.796SS**  trans-66.8125.41661760000108.3L10L10-V12 PolarHBondContact O-N 3.27Å
13V32.1Very low32Very low129 Ų129145 Ų14578%0.78279%0.792SS**  trans-114.497.7157-178.20000105.9L15V13-L15 PolarHBondContact O-N 3.28Å
14S29.7Very low32.4Very low86 Ų86143.6 Ų143.660%0.60179%0.794SS**  trans-63.6125.1166.1-690000108.3
15L34.1Very low32.1Very low159 Ų159143.3 Ų143.383%0.83280%0.795SS**  trans-115.497.2159-154.271.7000107.3V13 I17V13-L15 PolarHBondContact O-N 3.28Å; L15-I17 PolarHBondContact O-N 2.65Å
16E28.8Very low31.8Very low165 Ų165140.2 Ų140.277%0.77179%0.79SS**  trans-52.1114.7170.8-66.6-72.3150.700109.3L18E16-L18 PolarHBondContact O-N 2.95Å
17I30.7Very low32.2Very low164 Ų164143.7 Ų143.784%0.84180%0.795SS**  trans-79.896.8169.7-61.3174.7000106.3L15 G19L15-I17 PolarHBondContact O-N 2.65Å; I17-G19 PolarHBondContact O-N 3.27Å
18L30Very low32Very low162 Ų162142.4 Ų142.485%0.84880%0.796SS**  trans-7296.8168.8-157.184.8000108.2E16 S20E16-L18 PolarHBondContact O-N 2.95Å; L18-S20 PolarHBondContact O-N 2.8Å
19G33.5Very low32.5Very low67 Ų67140.4 Ų140.469%0.69180%0.795SS**  trans-57.9130.4167.700000110.3I17I17-G19 PolarHBondContact O-N 3.27Å
20S37.3Very low32.6Very low106 Ų106144 Ų14474%0.74180%0.796SS**  trans-111138.2169.4-119.40000109.7L18L18-S20 PolarHBondContact O-N 2.8Å
21P30.7Very low32.6Very low103 Ų103140.6 Ų140.667%0.66979%0.786SS**  trans-76.3138.5-175.630.1-31.5000111.1N23P21-N23 PolarHBondContact O-N 2.87Å
22C31.6Very low32.8Very low135 Ų135135.6 Ų135.691%0.91278%0.776SS**  trans-57.3116.8167.9-720000110.1
23N28.7Very low33Very low147 Ų147135.8 Ų135.879%0.78678%0.778SS**  trans-114.7117.2160.3-76.9-51.2000108.6P21 L25P21-N23 PolarHBondContact O-N 2.87Å; N23-L25 PolarHBondContact O-N 2.95Å
24L41.3Very low33.2Very low174 Ų174138.5 Ų138.591%0.91178%0.779SS**  trans-54.4123162.1-85.1136.3000109.2
25L29.8Very low33.5Very low169 Ų169146 Ų14689%0.88579%0.794SS**  trans-172.2134.3140.5-103.9161.5000112.5N23N23-L25 PolarHBondContact O-N 2.95Å
26A30.5Very low33.4Very low78 Ų78144.1 Ų144.165%0.64579%0.793SS**  trans62.1107.6145.300000119.3N28A26-N28 PolarHBondContact O-N 3.02Å
27N42.5Very low34Very low167 Ų167142 Ų14289%0.89380%0.796SS**  trans10.194.1139.8-62.4-25000115
28N28.8Very low34.3Very low138 Ų138141.8 Ų141.874%0.73880%0.796SS**  trans-151.7134.2155.8-126.5-28.6000111.3A26 Y30A26-N28 PolarHBondContact O-N 3.02Å; N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; N28-Y30 PolarHBondContact O-N 3.02Å; N28-Y30 VanDerWaalsContact O-N 3.13Å
29V40.9Very low35Very low133 Ų133142.6 Ų142.681%0.80680%0.799SS**  trans-65.8105.3-179.1175.20000108.5S31V29-S31 PolarHBondContact O-N 3.26Å
30Y32.1Very low35.3Very low208 Ų208143.5 Ų143.582%0.81680%0.795SS**  trans-80.8102.1171.3-80.7-84.1000109.6N28 I32N28-Y30 WeakPolarHBondContact O-CD2 3.12Å; N28-Y30 PolarHBondContact O-N 3.02Å; N28-Y30 VanDerWaalsContact O-N 3.13Å; Y30-I32 PolarHBondContact O-N 3.45Å
31S33Very low35.6Very low100 Ų100146.8 Ų146.870%0.69980%0.803SS**  trans-80.1100.8161.946.30000108.6V29 T33V29-S31 PolarHBondContact O-N 3.26Å; S31-T33 PolarHBondContact O-N 3.06Å
32I33.3Very low36.1Very low138 Ų138148.8 Ų148.871%0.70880%0.804SS**  trans-8794.8171.8-59.6177.5000107.6Y30 K34Y30-I32 PolarHBondContact O-N 3.45Å; I32-K34 HydrophobicContact CG2-CG 4.19Å; I32-K34 PolarHBondContact O-N 3.13Å
33T33.5Very low36.5Very low124 Ų124147.7 Ų147.776%0.76180%0.797SS**  trans-83.487.9173-23.80000109S31S31-T33 PolarHBondContact O-N 3.06Å
34K36.7Very low37.3Very low185 Ų185147.2 Ų147.280%0.80479%0.791SS**  trans-86.2112163.1-80.7-167.1177.6-176.80108.6I32 C36I32-K34 HydrophobicContact CG2-CG 4.19Å; I32-K34 PolarHBondContact O-N 3.13Å; K34-C36 PolarHBondContact O-N 3.45Å
35R34.8Very low37.3Very low245 Ų245146.2 Ų146.293%0.92578%0.784SS**  trans-70.7111.4171.6-73.5-176.5-174.5-178.31.9109
36C32.5Very low37.9Very low119 Ų119144.5 Ų144.580%0.80478%0.776SS**  trans-114.2116.8162.7-85.20000108.3K34 L38K34-C36 PolarHBondContact O-N 3.45Å; C36-L38 PolarHBondContact O-N 3.12Å
37S42.1Very low38.7Very low119 Ų119146.8 Ų146.883%0.83277%0.768SS**  trans-86.789.2173.9510000109.7
38L37.7Very low38.8Very low161 Ų161144.4 Ų144.484%0.84376%0.761SS**  trans-138.1123.1163.7-70.8176.8000110C36 S40C36-L38 PolarHBondContact O-N 3.12Å; L38-S40 PolarHBondContact O-N 2.9Å; L38-S40 VanDerWaalsContact O-N 3.12Å
39I44.8Very low39.4Very low179 Ų179145.4 Ų145.492%0.91877%0.766SS**  trans-67104.7178.3-62.1163.1000107
40S39.9Very low39.6Very low86 Ų86142.9 Ų142.960%0.60175%0.754SS**  trans-115.2119.5168175.30000107.4L38 Q42L38-S40 PolarHBondContact O-N 2.9Å; L38-S40 VanDerWaalsContact O-N 3.12Å; S40-Q42 PolarHBondContact O-N 2.8Å
41L42.2Very low40.2Very low175 Ų175138.9 Ų138.992%0.91676%0.756SS**  trans-6679.9167-81.3157.2000107.5S43L41-S43 PolarHBondContact O-N 2.58Å
42Q42Very low41Very low144 Ų144141.1 Ų141.167%0.67376%0.755SS**  trans-73.3111171.1-74.3-180-39.500107.5S40 Q44S40-Q42 PolarHBondContact O-N 2.8Å; Q42-Q44 HydrophobicContact CB-CG 4.29Å; Q42-Q44 PolarHBondContact O-N 3.43Å
43S40.6Very low42.2Very low112 Ų112143 Ų14378%0.78376%0.761SS**  trans-60.293.2153.845.80000106.9L41 I45L41-S43 PolarHBondContact O-N 2.58Å; S43-I45 PolarHBondContact O-N 3.06Å
44Q43.9Very low43.2Very low137 Ų137143.7 Ų143.764%0.6476%0.755SS**  trans-69.890.8-179.3-70178.12300108.8Q42 L46Q42-Q44 HydrophobicContact CB-CG 4.29Å; Q42-Q44 PolarHBondContact O-N 3.43Å; Q44-L46 HydrophobicContact CB-CD1 4.38Å; Q44-L46 HydrophobicContact CB-CG 4.15Å; Q44-L46 PolarHBondContact O-N 2.98Å
45I42.2Very low44.5Very low153 Ų153139.2 Ų139.279%0.78574%0.74SS**  trans-7680.7153.2-56.2178.3000105S43 R47S43-I45 PolarHBondContact O-N 3.06Å; I45-R47 PolarHBondContact O-N 2.89Å
46L41.4Very low45.9Very low133 Ų133133.5 Ų133.570%0.69674%0.735SS**  trans-66.5100.4167.2-78.2160.2000106.3Q44 P48Q44-L46 HydrophobicContact CB-CD1 4.38Å; Q44-L46 HydrophobicContact CB-CG 4.15Å; Q44-L46 PolarHBondContact O-N 2.98Å; L46-P48 VanDerWaalsContact O-CD 3.24Å; L46-P48 WeakPolarHBondContact O-CD 3.24Å
47R47.6Very low47.5Very low127 Ų127133.9 Ų133.948%0.47972%0.723SS.*  trans-64.1116.1159-68.2-172.2-172.7-159.78.1105.5I45 L49 E129I45-R47 PolarHBondContact O-N 2.89Å; R47-L49 PolarHBondContact O-N 2.99Å; R47-E129 IonicContact CZ-OE1 3.15Å; R47-E129 IonicContact CZ-OE2 2.99Å; R47-E129 IonicContact NE-OE2 3.53Å; R47-E129 IonicContact NH1-OE1 2.8Å; R47-E129 PolarHBondContact NH1-OE1 2.96Å; R47-E129 IonicContact NH1-OE2 2.58Å; R47-E129 PolarHBondContact NH1-OE2 2.79Å; R47-E129 VanDerWaalsContact NH2-CD 3.35Å; R47-E129 IonicContact NH2-OE1 2.9Å; R47-E129 PolarHBondContact NH2-OE1 3.47Å; R47-E129 IonicContact NH2-OE2 3.51Å
48P44.3Very low48.7Very low116 Ų116131.8 Ų131.875%0.75371%0.705SS**  trans-60.8115.7174.623.2-28.9000107L46 S50L46-P48 VanDerWaalsContact O-CD 3.24Å; L46-P48 WeakPolarHBondContact O-CD 3.24Å; P48-S50 PolarHBondContact O-N 3.45Å
49L42.5Very low50.2Low160 Ų160128.5 Ų128.584%0.83869%0.694SS**  trans-54.199.4162.4-100.6147.7000106R47 S51R47-L49 PolarHBondContact O-N 2.99Å; L49-S51 PolarHBondContact O-N 2.8Å
50S45.5Very low51.6Low79 Ų79129.2 Ų129.255%0.55269%0.69SS**  trans-61.7108.4-174.4-1780000108.3P48 H52P48-S50 PolarHBondContact O-N 3.45Å; S50-H52 PolarHBondContact O-N 3.07Å; S50-H52 WeakPolarHBondContact OG-CB 3.41Å; S50-H52 PolarHBondContact OG-N 2.77Å
51S44.5Very low53.6Low125 Ų125130 Ų13087%0.87469%0.691SS**  trans-76.49.9170.364.20000112.1L49L49-S51 PolarHBondContact O-N 2.8Å
52H48.9Very low55.2Low146 Ų146126.2 Ų126.268%0.67668%0.677SS**SBendtrans-70.2134174.5-88.1-75.3000110.1S50 H54S50-H52 PolarHBondContact O-N 3.07Å; S50-H52 WeakPolarHBondContact OG-CB 3.41Å; S50-H52 PolarHBondContact OG-N 2.77Å; H52-H54 VanDerWaalsContact C-N 3.27Å; H52-H54 PolarHBondContact O-N 3Å
53Q58.8Low56.7Low178 Ų178123.9 Ų123.983%0.83267%0.672SS**SBendtrans-52.593.8163.2-76176.7-48.200109.1
54H55.1Low58.2Low138 Ų138129.6 Ų129.664%0.63968%0.677SS**SBendtrans61.2143.2-176.9-54.1-75.1000115.1H52 V58H52-H54 VanDerWaalsContact C-N 3.27Å; H52-H54 PolarHBondContact O-N 3Å; H54-V58 HydrophobicContact CB-CB 4.44Å
55N63.1Low59.9Low91 Ų91130.6 Ų130.649%0.48768%0.682SS.*  trans-55.2133.6170.3179.9-41.5000108.3K57 V58N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.3Å; N55-K57 WeakPolarHBondContact OD1-CB 3.48Å; N55-K57 PolarHBondContact OD1-N 3.28Å; N55-V58 HydrophobicContact CB-CG2 4.08Å; N55-V58 WeakPolarHBondContact O-CB 3.3Å; N55-V58 PolarHBondContact O-N 3.38Å
56P64.9Low61.8Low126 Ų126128.9 Ų128.982%0.81868%0.68SS**THydrogen-bonded Turntrans-58.2-17.8-178.723.6-34.7000113.8V58P56-V58 VanDerWaalsContact C-N 3.3Å
57K65.3Low63.9Low127 Ų127124.8 Ų124.855%0.55266%0.661SS**THydrogen-bonded Turntrans-79.9-5.8172.8-59.4-167.7174.4-162.20113.9N55 D117 V121N55-K57 PolarHBondContact O-N 3.24Å; N55-K57 VanDerWaalsContact OD1-CB 3.3Å; N55-K57 WeakPolarHBondContact OD1-CB 3.48Å; N55-K57 PolarHBondContact OD1-N 3.28Å; K57-D117 PolarHBondContact NZ-O 2.91Å; K57-V121 VanDerWaalsContact NZ-CG2 3.33Å
58V67.4Low65.8Low74 Ų74121.6 Ų121.645%0.44866%0.656SS.*SBendtrans-94.91211741790000108.8H54 N55 P56 K60H54-V58 HydrophobicContact CB-CB 4.44Å; N55-V58 HydrophobicContact CB-CG2 4.08Å; N55-V58 WeakPolarHBondContact O-CB 3.3Å; N55-V58 PolarHBondContact O-N 3.38Å; P56-V58 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.26Å
59P69Low67.9Low93 Ų93121.2 Ų121.260%0.60465%0.645SS**  trans-59.9134.2177.4-23.233.4000111.9V61P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 WeakPolarHBondContact CB-O 3.37Å; P59-V61 PolarHBondContact O-N 3.31Å
60K75.4Confident70.2Confident194 Ų194121.7 Ų121.784%0.84364%0.643SS**SBendtrans-74.9-17.9178.4-65.8-175.7179.5-179.30113.6V58V58-K60 PolarHBondContact O-N 3.26Å
61V80.6Confident72.2Confident101 Ų101123.7 Ų123.761%0.61264%0.643SS**SBendtrans-134.2140.4179179.90000106.4P59 T63P59-V61 VanDerWaalsContact C-N 3.28Å; P59-V61 WeakPolarHBondContact CB-O 3.37Å; P59-V61 PolarHBondContact O-N 3.31Å; V61-T63 PolarHBondContact O-N 3.17Å; V61-T63 VanDerWaalsContact O-N 3.11Å
62P77Confident74.3Confident96 Ų96118.6 Ų118.662%0.62361%0.606SS**  trans-62.1114.9176.725-34.3000110.2
63T73.4Confident76.3Confident95 Ų95114 Ų11458%0.58359%0.589SS**  trans-102103.8173-56.50000107.5V61 E65V61-T63 PolarHBondContact O-N 3.17Å; V61-T63 VanDerWaalsContact O-N 3.11Å; T63-E65 VanDerWaalsContact C-N 3.25Å; T63-E65 HydrophobicContact CG2-CB 4.04Å; T63-E65 HydrophobicContact CG2-CG 3.94Å; T63-E65 PolarHBondContact O-N 3.38Å
64W70.9Confident77.9Confident232 Ų232113.3 Ų113.388%0.87959%0.586SS**  trans-91.425.3178.7-63.4106.4000112.7
65E80.1Confident79.6Confident158 Ų158110.4 Ų110.474%0.73858%0.58SS**PPolyproline II helixtrans-77.5126.4-178-66.8-178.9-178.600109.8T63T63-E65 VanDerWaalsContact C-N 3.25Å; T63-E65 HydrophobicContact CG2-CB 4.04Å; T63-E65 HydrophobicContact CG2-CG 3.94Å; T63-E65 PolarHBondContact O-N 3.38Å
66P82Confident80.8Confident117 Ų117109.1 Ų109.176%0.7658%0.575SS**PPolyproline II helixtrans-65.9141.8175.827.3-32.4000109.9
67V85.1Confident81.9Confident48 Ų48112 Ų11229%0.29157%0.574SS.*PPolyproline II helixtrans-62.8129.1177.3-179.20000109.5L72 Q112 V115V67-L72 HydrophobicContact CG1-CD1 4.41Å; V67-L72 HydrophobicContact CG1-CD2 3.86Å; V67-L72 HydrophobicContact CG1-CG 4.06Å; V67-Q112 HydrophobicContact CG2-CB 4.49Å; V67-Q112 HydrophobicContact CG2-CG 4.45Å; V67-V115 HydrophobicContact CG1-CB 4.47Å; V67-V115 HydrophobicContact CG1-CG2 3.69Å
68P88.4Confident83.1Confident59 Ų59106.9 Ų106.938%0.38355%0.553SS.*PPolyproline II helixtrans-58.4136.4176.5-23.232.2000112.4E70 Q71P68-E70 VanDerWaalsContact CB-OE2 3.28Å; P68-E70 WeakPolarHBondContact CB-OE2 3.49Å; P68-E70 PolarHBondContact O-N 3.2Å; P68-Q71 HydrophobicContact CB-CG 4.36Å; P68-Q71 PolarHBondContact O-N 3.25Å
69E88.7Confident84.3Confident109 Ų109106.9 Ų106.951%0.50956%0.555SS.*G310 helixtrans-62.5-27.8-176.7-170.271.3-175.500112Q71 L72 R108E69-Q71 VanDerWaalsContact C-N 3.27Å; E69-Q71 PolarHBondContact O-N 3.36Å; E69-L72 PolarHBondContact O-N 3.28Å; E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.69Å; E69-R108 IonicContact OE1-NH2 2.76Å; E69-R108 PolarHBondContact OE1-NH2 3.3Å; E69-R108 IonicContact OE2-CZ 3.28Å; E69-R108 IonicContact OE2-NE 2.72Å; E69-R108 IonicContact OE2-NH2 3.4Å; E69-R108 PolarHBondContact OE2-NH2 3.49Å
70E89.3Confident85.1Confident169 Ų169104.5 Ų104.579%0.7954%0.543SS*.G310 helixtrans-70.2-22.5-179-5677.7-167.600113.3P68P68-E70 VanDerWaalsContact CB-OE2 3.28Å; P68-E70 WeakPolarHBondContact CB-OE2 3.49Å; P68-E70 PolarHBondContact O-N 3.2Å
71Q87.4Confident85.9Confident122 Ų12299.5 Ų99.557%0.5753%0.525SS*.G310 helixtrans-87.7-14.9179.2-64.8-177.7-26.600112.5P68 E69 V115P68-Q71 HydrophobicContact CB-CG 4.36Å; P68-Q71 PolarHBondContact O-N 3.25Å; E69-Q71 VanDerWaalsContact C-N 3.27Å; E69-Q71 PolarHBondContact O-N 3.36Å; Q71-V115 HydrophobicContact CB-CG2 4.19Å
72L89.8Confident86.4Confident17 Ų1798.1 Ų98.19%0.08951%0.514CS..SBendtrans-88151.9-176.2-65.8177.3000110.9V67 E69 D111 Q112 V115V67-L72 HydrophobicContact CG1-CD1 4.41Å; V67-L72 HydrophobicContact CG1-CD2 3.86Å; V67-L72 HydrophobicContact CG1-CG 4.06Å; E69-L72 PolarHBondContact O-N 3.28Å; L72-D111 HydrophobicContact CD2-CB 4.5Å; L72-Q112 HydrophobicContact CD2-CG 4.28Å; L72-V115 HydrophobicContact CD2-CG2 3.91Å
73P91.2Very high87Confident50 Ų5093.7 Ų93.733%0.32549%0.485SS..PPolyproline II helixtrans-59.7162.817128.1-36.1000110.9R108 D111P73-R108 PolarHBondContact O-NH1 3.34Å; P73-D111 HydrophobicContact CG-CB 3.75Å
74Q91.7Very high87.7Confident164 Ų16490.6 Ų90.677%0.76647%0.465SS*.PPolyproline II helixtrans-60.2138.8176.8-67.6-63.9-44.700110.6T76Q74-T76 PolarHBondContact O-N 3.11Å
75P90.1Very high88.6Confident77 Ų7786.2 Ų86.250%0.545%0.452SS..PPolyproline II helixtrans-52.5127177.5-2834.9000111.9K77P75-K77 PolarHBondContact O-N 3.47Å
76T88.4Confident89.2Confident63 Ų6381.7 Ų81.739%0.38743%0.433SS..PPolyproline II helixtrans-69.8121.7-176.5-64.70000110.2Q74 I78 I107Q74-T76 PolarHBondContact O-N 3.11Å; T76-I78 HydrophobicContact CG2-CG1 4.31Å; T76-I107 HydrophobicContact CG2-CD1 4.31Å
77K89.4Confident89.6Confident186 Ų18676.7 Ų76.781%0.80940%0.399SS*.PPolyproline II helixtrans-93.8123.7168.7-65.2-175.4-179-179.20109.2P75 P79P75-K77 PolarHBondContact O-N 3.47Å; K77-P79 VanDerWaalsContact O-CD 3.27Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å
78I90.3Very high89.7Confident21 Ų2182.6 Ų82.611%0.10842%0.416CS..  trans-92.8109.9-174.3-53.1-178.4000109.1T76 L82 V83 L100 L103 E104 I107T76-I78 HydrophobicContact CG2-CG1 4.31Å; I78-L82 HydrophobicContact CG2-CB 4.32Å; I78-L82 HydrophobicContact CG2-CD2 4.11Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; I78-V83 HydrophobicContact CG2-CG2 3.63Å; I78-L100 HydrophobicContact CB-CD2 4.44Å; I78-L100 HydrophobicContact CG2-CD2 4.43Å; I78-L103 HydrophobicContact CD1-CB 4.12Å; I78-L103 HydrophobicContact CD1-CD2 3.45Å; I78-L103 VanDerWaalsContact CD1-CD2 3.45Å; I78-L103 HydrophobicContact CD1-CG 3.51Å; I78-E104 HydrophobicContact CD1-CG 3.72Å; I78-E104 HydrophobicContact CG1-CG 3.99Å; I78-I107 HydrophobicContact CD1-CD1 3.89Å; I78-I107 HydrophobicContact CG1-CD1 4.45Å
79P91.6Very high89.8Confident74 Ų7486.6 Ų86.648%0.48143%0.434SS..  trans-70.4149.217630.2-34000110.1K77 D81 L82 V83K77-P79 VanDerWaalsContact O-CD 3.27Å; K77-P79 WeakPolarHBondContact O-CD 3.36Å; P79-D81 PolarHBondContact O-N 3.28Å; P79-D81 VanDerWaalsContact O-N 3.13Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CB 3.4Å; P79-L82 PolarHBondContact O-N 3.5Å; P79-V83 PolarHBondContact O-N 3.13Å
80A87.3Confident89.9Confident43 Ų4384.3 Ų84.336%0.35543%0.434SS..Hα-helixtrans-55.9-33.9-179.400000113.5L82 V83 D84A80-L82 VanDerWaalsContact C-N 3.25Å; A80-L82 PolarHBondContact O-N 2.99Å; A80-V83 WeakPolarHBondContact O-CB 3.32Å; A80-V83 PolarHBondContact O-N 3.32Å; A80-D84 PolarHBondContact O-N 3.23Å
81D90.3Very high89.9Confident88 Ų8883.7 Ų83.747%0.47144%0.435SS..Hα-helixtrans-65.8-29.2177.4-60.92.4000112.6P79 K85 R173P79-D81 PolarHBondContact O-N 3.28Å; P79-D81 VanDerWaalsContact O-N 3.13Å; D81-K85 VanDerWaalsContact O-CG 3.32Å; D81-K85 WeakPolarHBondContact O-CG 3.28Å; D81-K85 PolarHBondContact O-N 3.44Å; D81-R173 IonicContact OD1-CZ 2.7Å; D81-R173 IonicContact OD1-NH1 2.72Å; D81-R173 PolarHBondContact OD1-NH1 2.76Å; D81-R173 IonicContact OD1-NH2 2.96Å
82L91.7Very high89.9Confident72 Ų7282 Ų8238%0.37743%0.433SS..Hα-helixtrans-74.6-39.8174.8179.859.1000110.4I78 P79 A80 D84 K85 L86I78-L82 HydrophobicContact CG2-CB 4.32Å; I78-L82 HydrophobicContact CG2-CD2 4.11Å; I78-L82 HydrophobicContact CG2-CG 4.3Å; P79-L82 HydrophobicContact CG-CB 3.77Å; P79-L82 WeakPolarHBondContact O-CB 3.4Å; P79-L82 PolarHBondContact O-N 3.5Å; A80-L82 VanDerWaalsContact C-N 3.25Å; A80-L82 PolarHBondContact O-N 2.99Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.07Å; L82-K85 PolarHBondContact O-N 2.76Å; L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.22Å
83V90.8Very high89.7Confident4 Ų486 Ų862%0.02446%0.455CS..Hα-helixtrans-56.9-50.4172.9-175.40000110I78 P79 A80 K85 L86 E87 F94 R95 L100I78-V83 HydrophobicContact CG2-CG2 3.63Å; P79-V83 PolarHBondContact O-N 3.13Å; A80-V83 WeakPolarHBondContact O-CB 3.32Å; A80-V83 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 2.72Å; V83-L86 PolarHBondContact O-N 3.06Å; V83-L86 VanDerWaalsContact O-N 3.1Å; V83-E87 HydrophobicContact CG1-CG 4.24Å; V83-E87 WeakPolarHBondContact O-CG 3.27Å; V83-E87 PolarHBondContact O-N 3.22Å; V83-F94 HydrophobicContact CG1-CD2 4.4Å; V83-F94 HydrophobicContact CG1-CE2 3.84Å; V83-F94 HydrophobicContact CG1-CZ 4.16Å; V83-R95 HydrophobicContact CG1-CB 4.4Å; V83-R95 HydrophobicContact CG1-CG 4.36Å; V83-L100 HydrophobicContact CG2-CD2 3.68Å
84D87Confident89.5Confident30 Ų3085.6 Ų85.616%0.1645%0.447CS..Hα-helixtrans-52.5-41.4177.5-72.14.2000112.6A80 L82 R88 R95 R173A80-D84 PolarHBondContact O-N 3.23Å; L82-D84 VanDerWaalsContact C-N 3.35Å; L82-D84 PolarHBondContact O-N 3.07Å; D84-R88 WeakPolarHBondContact O-CB 3.46Å; D84-R88 PolarHBondContact O-N 3.44Å; D84-R95 IonicContact OD1-CZ 3.61Å; D84-R95 IonicContact OD1-NH1 2.63Å; D84-R95 PolarHBondContact OD1-NH1 2.92Å; D84-R95 IonicContact OD1-NH2 3.57Å; D84-R95 PolarHBondContact OD1-NH2 3.01Å; D84-R173 WeakPolarHBondContact OD2-CD 3.5Å
85K91Very high89.1Confident139 Ų13980.1 Ų80.160%0.60442%0.42SS*.Hα-helixtrans-71.4-44.7179.8-72.7172.1-174.9179.70111.6D81 L82 V83 R88 L89D81-K85 VanDerWaalsContact O-CG 3.32Å; D81-K85 WeakPolarHBondContact O-CG 3.28Å; D81-K85 PolarHBondContact O-N 3.44Å; L82-K85 PolarHBondContact O-N 2.76Å; V83-K85 PolarHBondContact O-N 2.72Å; K85-R88 PolarHBondContact O-N 3.42Å; K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.12Å
86L92.6Very high89Confident63 Ų6379.7 Ų79.733%0.3342%0.416SS..Hα-helixtrans-64.6-44-179.5-73.2174.8000111.5L82 V83 R88 L89 A90 F94 L103L82-L86 HydrophobicContact CD1-CD1 4.37Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 4.05Å; L82-L86 HydrophobicContact CG-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.45Å; L82-L86 VanDerWaalsContact O-CG 3.31Å; L82-L86 WeakPolarHBondContact O-CG 3.32Å; L82-L86 PolarHBondContact O-N 3.22Å; V83-L86 PolarHBondContact O-N 3.06Å; V83-L86 VanDerWaalsContact O-N 3.1Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.27Å; L86-L89 PolarHBondContact O-N 2.89Å; L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.04Å; L86-F94 HydrophobicContact CB-CE1 4.04Å; L86-F94 HydrophobicContact CB-CZ 3.62Å; L86-F94 HydrophobicContact CD1-CZ 4.24Å; L86-L103 HydrophobicContact CD1-CD2 4.09Å
87E89.3Confident89Confident12 Ų1284.1 Ų84.16%0.05643%0.43CS..Hα-helixtrans-59-42.4175.6-71-176154.200111.9V83 L89 L91 V92 F94 R95V83-E87 HydrophobicContact CG1-CG 4.24Å; V83-E87 WeakPolarHBondContact O-CG 3.27Å; V83-E87 PolarHBondContact O-N 3.22Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.33Å; E87-L91 VanDerWaalsContact O-CA 3.31Å; E87-L91 WeakPolarHBondContact O-CA 3.47Å; E87-L91 PolarHBondContact O-N 2.87Å; E87-V92 VanDerWaalsContact CA-O 3.24Å; E87-V92 WeakPolarHBondContact CA-O 3.49Å; E87-V92 WeakPolarHBondContact CB-O 3.41Å; E87-V92 VanDerWaalsContact CG-O 3.26Å; E87-V92 WeakPolarHBondContact CG-O 3.34Å; E87-V92 PolarHBondContact O-N 3.45Å; E87-F94 HydrophobicContact CB-CE1 4.23Å; E87-F94 HydrophobicContact CG-CD1 3.57Å; E87-F94 HydrophobicContact CG-CE1 3.35Å; E87-F94 HydrophobicContact CG-CG 4.32Å; E87-F94 HydrophobicContact CG-CZ 3.93Å; E87-F94 PolarHBondContact OE1-N 3.29Å; E87-R95 VanDerWaalsContact OE1-CB 3.31Å; E87-R95 WeakPolarHBondContact OE1-CB 3.36Å; E87-R95 PolarHBondContact OE1-N 3.39Å; E87-R95 IonicContact OE2-CZ 3.7Å; E87-R95 IonicContact OE2-NE 3.57Å; E87-R95 IonicContact OE2-NH2 3.44Å; E87-R95 PolarHBondContact OE2-NH2 3.31Å
88R87Confident89.1Confident172 Ų17282.9 Ų82.965%0.64943%0.427SS*.Hα-helixtrans-66-36177.8177.2178.8140.3164.7-3.1112.6D84 K85 L86 L91 L170D84-R88 WeakPolarHBondContact O-CB 3.46Å; D84-R88 PolarHBondContact O-N 3.44Å; K85-R88 PolarHBondContact O-N 3.42Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.27Å; R88-L91 WeakPolarHBondContact O-CD2 3.32Å; R88-L170 HydrophobicContact CB-CD1 4.41Å; R88-L170 HydrophobicContact CG-CD1 4.01Å
89L91.4Very high89.1Confident143 Ų14382.6 Ų82.675%0.74943%0.429SS*.Hα-helixtrans-76.1-40.3178.2-71.5173.5000111.9K85 L86 E87K85-L89 WeakPolarHBondContact O-CG 3.37Å; K85-L89 PolarHBondContact O-N 3.12Å; L86-L89 PolarHBondContact O-N 2.89Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.33Å
90A91.3Very high89.1Confident62 Ų6281.2 Ų81.251%0.51242%0.418SS..Hα-helixtrans-80.3-18.1-179.200000113.2L86 V92L86-A90 WeakPolarHBondContact O-CB 3.39Å; L86-A90 PolarHBondContact O-N 3.04Å; A90-V92 HydrophobicContact CB-CB 4.31Å; A90-V92 HydrophobicContact CB-CG2 4.41Å; A90-V92 PolarHBondContact O-N 3.27Å
91L88.3Confident89.4Confident156 Ų15683.9 Ų83.982%0.81742%0.423SS*.THydrogen-bonded Turntrans57.337.2-169.9-53.1176.1000112.3E87 R88E87-L91 VanDerWaalsContact O-CA 3.31Å; E87-L91 WeakPolarHBondContact O-CA 3.47Å; E87-L91 PolarHBondContact O-N 2.87Å; R88-L91 WeakPolarHBondContact O-CD2 3.32Å
92V88.4Confident89.5Confident85 Ų8583.7 Ų83.752%0.51543%0.427SS..  trans-131.6140.3-179175.40000108.9E87 A90E87-V92 VanDerWaalsContact CA-O 3.24Å; E87-V92 WeakPolarHBondContact CA-O 3.49Å; E87-V92 WeakPolarHBondContact CB-O 3.41Å; E87-V92 VanDerWaalsContact CG-O 3.26Å; E87-V92 WeakPolarHBondContact CG-O 3.34Å; E87-V92 PolarHBondContact O-N 3.45Å; A90-V92 HydrophobicContact CB-CB 4.31Å; A90-V92 HydrophobicContact CB-CG2 4.41Å; A90-V92 PolarHBondContact O-N 3.27Å
93D85.4Confident89.7Confident103 Ų10382.5 Ų82.555%0.55142%0.421SS*.  trans-92.1123169-171.4-12.3000109.2R95D93-R95 PolarHBondContact OD1-N 3.45Å
94F85.7Confident89.8Confident40 Ų4086 Ų8618%0.17544%0.437CS..  trans-139.519.3178.265.3-93.6000112.6V83 L86 E87 T96 L103V83-F94 HydrophobicContact CG1-CD2 4.4Å; V83-F94 HydrophobicContact CG1-CE2 3.84Å; V83-F94 HydrophobicContact CG1-CZ 4.16Å; L86-F94 HydrophobicContact CB-CE1 4.04Å; L86-F94 HydrophobicContact CB-CZ 3.62Å; L86-F94 HydrophobicContact CD1-CZ 4.24Å; E87-F94 HydrophobicContact CB-CE1 4.23Å; E87-F94 HydrophobicContact CG-CD1 3.57Å; E87-F94 HydrophobicContact CG-CE1 3.35Å; E87-F94 HydrophobicContact CG-CG 4.32Å; E87-F94 HydrophobicContact CG-CZ 3.93Å; E87-F94 PolarHBondContact OE1-N 3.29Å; F94-T96 PolarHBondContact O-N 2.9Å; F94-L103 HydrophobicContact CE2-CD2 3.71Å; F94-L103 HydrophobicContact CZ-CD2 4.24Å
95R84.9Confident90.2Very high49 Ų4991.1 Ų91.119%0.18546%0.458CS..  trans-74.343177.6-160.6-175-49.1-136.8-10113.1V83 D84 E87 D93 L180V83-R95 HydrophobicContact CG1-CB 4.4Å; V83-R95 HydrophobicContact CG1-CG 4.36Å; D84-R95 IonicContact OD1-CZ 3.61Å; D84-R95 IonicContact OD1-NH1 2.63Å; D84-R95 PolarHBondContact OD1-NH1 2.92Å; D84-R95 IonicContact OD1-NH2 3.57Å; D84-R95 PolarHBondContact OD1-NH2 3.01Å; E87-R95 VanDerWaalsContact OE1-CB 3.31Å; E87-R95 WeakPolarHBondContact OE1-CB 3.36Å; E87-R95 PolarHBondContact OE1-N 3.39Å; E87-R95 IonicContact OE2-CZ 3.7Å; E87-R95 IonicContact OE2-NE 3.57Å; E87-R95 IonicContact OE2-NH2 3.44Å; E87-R95 PolarHBondContact OE2-NH2 3.31Å; D93-R95 PolarHBondContact OD1-N 3.45Å; R95-L180 HydrophobicContact CB-CD1 3.87Å; R95-L180 HydrophobicContact CG-CD1 4.14Å
96T87.9Confident90.4Very high68 Ų6887.1 Ų87.142%0.41745%0.451SS..SBendtrans-102.2154.6169.963.20000108.6F94 Q98 G99 L100F94-T96 PolarHBondContact O-N 2.9Å; T96-Q98 PolarHBondContact O-N 3.13Å; T96-G99 PolarHBondContact O-N 3.18Å; T96-G99 VanDerWaalsContact O-N 3.17Å; T96-G99 PolarHBondContact OG1-N 2.63Å; T96-L100 PolarHBondContact O-N 3.2Å
97K87.9Confident90.6Very high157 Ų15786.5 Ų86.568%0.68345%0.447SS*.Hα-helixtrans-55.9-42.6175.5-66.5178.4-175.61680111.2L100 E101K97-L100 PolarHBondContact O-N 3.35Å; K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.34Å
98Q90.4Very high90.8Very high159 Ų15988 Ų8874%0.74345%0.452SS*.Hα-helixtrans-65.4-41.5177.6-173.2-178.7200112.6T96 E101 C102T96-Q98 PolarHBondContact O-N 3.13Å; Q98-E101 PolarHBondContact O-N 3.13Å; Q98-C102 VanDerWaalsContact O-CB 3.28Å; Q98-C102 WeakPolarHBondContact O-CB 3.48Å; Q98-C102 PolarHBondContact O-N 3.2Å
99G90.6Very high91.1Very high16 Ų1686.8 Ų86.817%0.16545%0.452CS..Hα-helixtrans-62.7-43.4177.200000112.1T96 C102 L103T96-G99 PolarHBondContact O-N 3.18Å; T96-G99 VanDerWaalsContact O-N 3.17Å; T96-G99 PolarHBondContact OG1-N 2.63Å; G99-C102 PolarHBondContact O-N 3.17Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.34Å
100L92.3Very high91.3Very high45 Ų4582.2 Ų82.224%0.23644%0.435CS..Hα-helixtrans-63.2-48.9174.3-79.8164.2000112.4I78 V83 T96 K97 C102 L103 E104I78-L100 HydrophobicContact CB-CD2 4.44Å; I78-L100 HydrophobicContact CG2-CD2 4.43Å; V83-L100 HydrophobicContact CG2-CD2 3.68Å; T96-L100 PolarHBondContact O-N 3.2Å; K97-L100 PolarHBondContact O-N 3.35Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.92Å; L100-L103 PolarHBondContact O-N 2.91Å; L100-E104 WeakPolarHBondContact O-CG 3.35Å; L100-E104 PolarHBondContact O-N 2.88Å
101E92.7Very high91.5Very high99 Ų9979.8 Ų79.846%0.46341%0.413SS..Hα-helixtrans-59.3-39.4176.6-77179.6-156.200112.3K97 Q98 K105K97-E101 WeakPolarHBondContact O-CB 3.38Å; K97-E101 WeakPolarHBondContact O-CG 3.31Å; K97-E101 PolarHBondContact O-N 3.34Å; Q98-E101 PolarHBondContact O-N 3.13Å; E101-K105 WeakPolarHBondContact O-CB 3.48Å; E101-K105 WeakPolarHBondContact O-CD 3.41Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 2.89Å; E101-K105 IonicContact OE2-NZ 3.56Å
102C93.7Very high91.6Very high83 Ų8376 Ų7656%0.56139%0.392SS*.Hα-helixtrans-63.4-45.4176.8-172.20000111.1Q98 G99 L100 K105 A106Q98-C102 VanDerWaalsContact O-CB 3.28Å; Q98-C102 WeakPolarHBondContact O-CB 3.48Å; Q98-C102 PolarHBondContact O-N 3.2Å; G99-C102 PolarHBondContact O-N 3.17Å; L100-C102 VanDerWaalsContact C-N 3.27Å; L100-C102 PolarHBondContact O-N 2.92Å; C102-K105 PolarHBondContact O-N 2.97Å; C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.03Å
103L94.3Very high91.7Very high47 Ų4778.1 Ų78.125%0.24640%0.399CS..Hα-helixtrans-64.1-45178.1-178.858.3000111.9I78 L86 F94 G99 L100 K105 A106 I107I78-L103 HydrophobicContact CD1-CB 4.12Å; I78-L103 HydrophobicContact CD1-CD2 3.45Å; I78-L103 VanDerWaalsContact CD1-CD2 3.45Å; I78-L103 HydrophobicContact CD1-CG 3.51Å; L86-L103 HydrophobicContact CD1-CD2 4.09Å; F94-L103 HydrophobicContact CE2-CD2 3.71Å; F94-L103 HydrophobicContact CZ-CD2 4.24Å; G99-L103 WeakPolarHBondContact O-CB 3.41Å; G99-L103 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 2.91Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 3.1Å; L103-A106 PolarHBondContact O-N 3.25Å; L103-I107 HydrophobicContact CD1-CD1 4.24Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CG-CD1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.24Å
104E94.7Very high92Very high78 Ų7879.7 Ų79.736%0.36440%0.403SS..Hα-helixtrans-61.5-42.2176.6-72.1178.6171.400111.6I78 L100 I107 R108I78-E104 HydrophobicContact CD1-CG 3.72Å; I78-E104 HydrophobicContact CG1-CG 3.99Å; L100-E104 WeakPolarHBondContact O-CG 3.35Å; L100-E104 PolarHBondContact O-N 2.88Å; E104-I107 PolarHBondContact O-N 3.47Å; E104-R108 WeakPolarHBondContact O-CB 3.19Å; E104-R108 PolarHBondContact O-N 3.38Å
105K94.1Very high92.2Very high138 Ų13880.8 Ų80.860%0.641%0.413SS*.Hα-helixtrans-64.2-40.2174.6-74.1167.1-175.4161.80112.3E101 C102 L103 R108 F109E101-K105 WeakPolarHBondContact O-CB 3.48Å; E101-K105 WeakPolarHBondContact O-CD 3.41Å; E101-K105 WeakPolarHBondContact O-CG 3.36Å; E101-K105 PolarHBondContact O-N 2.89Å; E101-K105 IonicContact OE2-NZ 3.56Å; C102-K105 PolarHBondContact O-N 2.97Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 3.1Å; K105-R108 PolarHBondContact O-N 2.99Å; K105-F109 WeakPolarHBondContact O-CB 3.39Å; K105-F109 PolarHBondContact O-N 2.6Å
106A95.9Very high92.3Very high54 Ų5482.7 Ų82.745%0.44643%0.43SS..Hα-helixtrans-66-42.5177.700000111.9C102 L103 R108 F109 A110C102-A106 WeakPolarHBondContact O-CB 3.4Å; C102-A106 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 3.25Å; A106-R108 VanDerWaalsContact C-N 3.33Å; A106-F109 PolarHBondContact O-N 2.7Å; A106-A110 PolarHBondContact O-N 2.72Å
107I95.5Very high92.3Very high50 Ų5084.4 Ų84.426%0.25644%0.436SS..Hα-helixtrans-61.8-45.6173-66.5167.4000109.6T76 I78 L103 E104 F109 A110 D111T76-I107 HydrophobicContact CG2-CD1 4.31Å; I78-I107 HydrophobicContact CD1-CD1 3.89Å; I78-I107 HydrophobicContact CG1-CD1 4.45Å; L103-I107 HydrophobicContact CD1-CD1 4.24Å; L103-I107 HydrophobicContact CD1-CG1 4.4Å; L103-I107 HydrophobicContact CG-CD1 4.15Å; L103-I107 WeakPolarHBondContact O-CG1 3.41Å; L103-I107 PolarHBondContact O-N 3.24Å; E104-I107 PolarHBondContact O-N 3.47Å; I107-F109 PolarHBondContact O-N 3Å; I107-A110 CarbonylContact O-C 3.57Å; I107-A110 PolarHBondContact O-N 3.18Å; I107-D111 PolarHBondContact O-N 2.9Å
108R94.1Very high92.5Very high44 Ų4481.5 Ų81.517%0.16643%0.432CS..Hα-helixtrans-60.3-36.2178.6-173.758.5-177.3169.7-0.3112.9E69 P73 E104 K105 A106 D111E69-R108 IonicContact OE1-CZ 3.64Å; E69-R108 IonicContact OE1-NE 3.69Å; E69-R108 IonicContact OE1-NH2 2.76Å; E69-R108 PolarHBondContact OE1-NH2 3.3Å; E69-R108 IonicContact OE2-CZ 3.28Å; E69-R108 IonicContact OE2-NE 2.72Å; E69-R108 IonicContact OE2-NH2 3.4Å; E69-R108 PolarHBondContact OE2-NH2 3.49Å; P73-R108 PolarHBondContact O-NH1 3.34Å; E104-R108 WeakPolarHBondContact O-CB 3.19Å; E104-R108 PolarHBondContact O-N 3.38Å; K105-R108 PolarHBondContact O-N 2.99Å; A106-R108 VanDerWaalsContact C-N 3.33Å; R108-D111 IonicContact NH1-OD2 2.6Å; R108-D111 PolarHBondContact NH1-OD2 3.48Å; R108-D111 WeakPolarHBondContact O-CB 3.31Å
109F93.8Very high92.7Very high146 Ų14678.4 Ų78.464%0.6443%0.428SS*.Hα-helixtrans-66.9-43174-179.8-111.4000111.6K105 A106 I107 D111 Q112K105-F109 WeakPolarHBondContact O-CB 3.39Å; K105-F109 PolarHBondContact O-N 2.6Å; A106-F109 PolarHBondContact O-N 2.7Å; I107-F109 PolarHBondContact O-N 3Å; F109-D111 VanDerWaalsContact C-N 3.31Å; F109-D111 PolarHBondContact O-N 2.86Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 WeakPolarHBondContact O-CG 3.45Å; F109-Q112 PolarHBondContact O-N 3.17Å
110A95.6Very high92.7Very high47 Ų4781.9 Ų81.939%0.38846%0.464SS..Hα-helixtrans-67.4-28.5176.800000113.4A106 I107 Q112 L113A106-A110 PolarHBondContact O-N 2.72Å; I107-A110 CarbonylContact O-C 3.57Å; I107-A110 PolarHBondContact O-N 3.18Å; A110-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact O-N 3.07Å; A110-L113 VanDerWaalsContact O-CB 3.32Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 WeakPolarHBondContact O-CG 3.26Å; A110-L113 PolarHBondContact O-N 3.38Å
111D94.6Very high92.6Very high12 Ų1283.5 Ų83.56%0.06448%0.475CS..G310 helixtrans-55.3-28.2178-76-23.6000112.8L72 P73 I107 R108 F109 L113 H114L72-D111 HydrophobicContact CD2-CB 4.5Å; P73-D111 HydrophobicContact CG-CB 3.75Å; I107-D111 PolarHBondContact O-N 2.9Å; R108-D111 IonicContact NH1-OD2 2.6Å; R108-D111 PolarHBondContact NH1-OD2 3.48Å; R108-D111 WeakPolarHBondContact O-CB 3.31Å; F109-D111 VanDerWaalsContact C-N 3.31Å; F109-D111 PolarHBondContact O-N 2.86Å; D111-L113 PolarHBondContact O-N 3.31Å; D111-L113 VanDerWaalsContact O-N 3.13Å; D111-H114 WeakPolarHBondContact O-CB 3.2Å; D111-H114 PolarHBondContact O-N 2.98Å; D111-H114 PolarHBondContact O-ND1 3.44Å; D111-H114 VanDerWaalsContact O-ND1 3.07Å
112Q91.2Very high92.4Very high77 Ų7786.4 Ų86.436%0.3649%0.489SS..G310 helixtrans-58-25.9177-60.7177.222.700112.9V67 L72 F109 A110 H114 V115V67-Q112 HydrophobicContact CG2-CB 4.49Å; V67-Q112 HydrophobicContact CG2-CG 4.45Å; L72-Q112 HydrophobicContact CD2-CG 4.28Å; F109-Q112 WeakPolarHBondContact O-CB 3.42Å; F109-Q112 WeakPolarHBondContact O-CG 3.45Å; F109-Q112 PolarHBondContact O-N 3.17Å; A110-Q112 PolarHBondContact O-N 2.84Å; A110-Q112 VanDerWaalsContact O-N 3.07Å; Q112-H114 PolarHBondContact O-N 3.45Å; Q112-V115 PolarHBondContact O-N 3.34Å
113L91.4Very high92.3Very high128 Ų12888.4 Ų88.467%0.6750%0.501SS*.G310 helixtrans-66-21.2176.8-60.8176.9000112.7A110 D111 V115 V116A110-L113 VanDerWaalsContact O-CB 3.32Å; A110-L113 WeakPolarHBondContact O-CB 3.33Å; A110-L113 WeakPolarHBondContact O-CG 3.26Å; A110-L113 PolarHBondContact O-N 3.38Å; D111-L113 PolarHBondContact O-N 3.31Å; D111-L113 VanDerWaalsContact O-N 3.13Å; L113-V115 VanDerWaalsContact C-N 3.26Å; L113-V115 PolarHBondContact O-N 2.91Å; L113-V116 WeakPolarHBondContact O-CB 3.36Å; L113-V116 PolarHBondContact O-N 3.44Å
114H90.1Very high92Very high136 Ų13692.6 Ų92.663%0.6352%0.521SS*.G310 helixtrans-69.7-21.6177.2-67.589.1000113.5D111 Q112 V116D111-H114 WeakPolarHBondContact O-CB 3.2Å; D111-H114 PolarHBondContact O-N 2.98Å; D111-H114 PolarHBondContact O-ND1 3.44Å; D111-H114 VanDerWaalsContact O-ND1 3.07Å; Q112-H114 PolarHBondContact O-N 3.45Å; H114-V116 PolarHBondContact O-N 2.94Å
115V89.7Confident91.7Very high64 Ų6496 Ų9639%0.38854%0.542SS..G310 helixtrans-73.4-19.8176.51800000111.4V67 Q71 L72 Q112 L113 D117V67-V115 HydrophobicContact CG1-CB 4.47Å; V67-V115 HydrophobicContact CG1-CG2 3.69Å; Q71-V115 HydrophobicContact CB-CG2 4.19Å; L72-V115 HydrophobicContact CD2-CG2 3.91Å; Q112-V115 PolarHBondContact O-N 3.34Å; L113-V115 VanDerWaalsContact C-N 3.26Å; L113-V115 PolarHBondContact O-N 2.91Å; V115-D117 PolarHBondContact O-N 3.4Å
116V87.8Confident91.4Very high88 Ų8891.9 Ų91.953%0.53353%0.53SS..SBendtrans-79.7119.1-179.3-175.90000110.1L113 H114 T118L113-V116 WeakPolarHBondContact O-CB 3.36Å; L113-V116 PolarHBondContact O-N 3.44Å; H114-V116 PolarHBondContact O-N 2.94Å; V116-T118 HydrophobicContact CG1-CG2 4.44Å; V116-T118 PolarHBondContact O-N 3.45Å; V116-T118 VanDerWaalsContact O-N 3.13Å
117D89Confident91.1Very high104 Ų10495.1 Ų95.156%0.55654%0.544SS*.  trans-70.3108.6174-178.224.2000111.6K57 V115 S119K57-D117 PolarHBondContact NZ-O 2.91Å; V115-D117 PolarHBondContact O-N 3.4Å; D117-S119 WeakPolarHBondContact OD1-CB 3.24Å; D117-S119 PolarHBondContact OD1-N 3.4Å; D117-S119 PolarHBondContact OD1-OG 3.48Å
118T91.2Very high90.7Very high97 Ų9797.3 Ų97.360%0.59556%0.556SS**  trans-103.21017752.20000112.6V116 G120 V121V116-T118 HydrophobicContact CG1-CG2 4.44Å; V116-T118 PolarHBondContact O-N 3.45Å; V116-T118 VanDerWaalsContact O-N 3.13Å; T118-G120 PolarHBondContact O-N 2.94Å; T118-V121 WeakPolarHBondContact O-CB 3.35Å; T118-V121 PolarHBondContact O-N 2.96Å
119S94Very high90.1Very high93 Ų9398.7 Ų98.765%0.6556%0.564SS**THydrogen-bonded Turntrans-57.8126.2178.4-56.10000111.5D117 V121D117-S119 WeakPolarHBondContact OD1-CB 3.24Å; D117-S119 PolarHBondContact OD1-N 3.4Å; D117-S119 PolarHBondContact OD1-OG 3.48Å; S119-V121 PolarHBondContact O-N 3.24Å
120G92.2Very high89.7Confident90 Ų9097.7 Ų97.793%0.92857%0.566SS**THydrogen-bonded Turntrans70.39.4-179.700000115.1T118T118-G120 PolarHBondContact O-N 2.94Å
121V88.9Confident89.2Confident79 Ų79103.4 Ų103.448%0.47958%0.577SS.*PPolyproline II helixtrans-93.2119.6172.6-176.30000108.7K57 T118 S119K57-V121 VanDerWaalsContact NZ-CG2 3.33Å; T118-V121 WeakPolarHBondContact O-CB 3.35Å; T118-V121 PolarHBondContact O-N 2.96Å; S119-V121 PolarHBondContact O-N 3.24Å
122E88.1Confident89Confident160 Ų160106.7 Ų106.775%0.74861%0.606SS**PPolyproline II helixtrans-69.4134.9172.2-66.7-161147.500110.5M124E122-M124 PolarHBondContact O-N 2.78Å
123P91.9Very high88.9Confident125 Ų125110.7 Ų110.781%0.81263%0.629SS**PPolyproline II helixtrans-57.6135.2174.5-24.434.1000111.6
124M89.1Confident88.8Confident135 Ų135114.6 Ų114.667%0.66564%0.636SS**PPolyproline II helixtrans-84124.3176.3-173.6175.46500110E122 S126 V127E122-M124 PolarHBondContact O-N 2.78Å; M124-S126 WeakPolarHBondContact CG-O 3.49Å; M124-V127 HydrophobicContact CE-CG2 4.18Å; M124-V127 HydrophobicContact SD-CG2 4.23Å
125D88.4Confident89.1Confident149 Ų149115.8 Ų115.880%0.79765%0.646SS**SBendtrans-98.9-33.3177.161.7-15.6000112.4
126S86.8Confident89.4Confident52 Ų52121.3 Ų121.336%0.36466%0.66SS.*  trans-144150.8176.61800000110.6M124 L128 E129M124-S126 WeakPolarHBondContact CG-O 3.49Å; S126-L128 PolarHBondContact OG-N 3.16Å; S126-E129 WeakPolarHBondContact O-CG 3.28Å
127V89.4Confident89.7Confident121 Ų121123.2 Ų123.273%0.73367%0.667SS**SBendtrans-80.4-10.9170.8-175.30000111.2M124M124-V127 HydrophobicContact CE-CG2 4.18Å; M124-V127 HydrophobicContact SD-CG2 4.23Å
128L87.9Confident90.1Very high97 Ų97125.7 Ų125.751%0.50868%0.681SS.*  trans-105.639.4-172.6-57.4-179.5000113S126 D130 R131S126-L128 PolarHBondContact OG-N 3.16Å; L128-D130 PolarHBondContact O-N 3.47Å; L128-R131 PolarHBondContact O-N 3.03Å; L128-R131 VanDerWaalsContact O-N 3.12Å
129E80.2Confident90.3Very high72 Ų72125 Ų12534%0.33668%0.677SS.*THydrogen-bonded Turntrans-61.2-29.1-175.7-57.7169.2141.300113R47 S126 R131R47-E129 IonicContact CZ-OE1 3.15Å; R47-E129 IonicContact CZ-OE2 2.99Å; R47-E129 IonicContact NE-OE2 3.53Å; R47-E129 IonicContact NH1-OE1 2.8Å; R47-E129 PolarHBondContact NH1-OE1 2.96Å; R47-E129 IonicContact NH1-OE2 2.58Å; R47-E129 PolarHBondContact NH1-OE2 2.79Å; R47-E129 VanDerWaalsContact NH2-CD 3.35Å; R47-E129 IonicContact NH2-OE1 2.9Å; R47-E129 PolarHBondContact NH2-OE1 3.47Å; R47-E129 IonicContact NH2-OE2 3.51Å; S126-E129 WeakPolarHBondContact O-CG 3.28Å; E129-R131 PolarHBondContact O-N 3Å
130D85.5Confident90.3Very high126 Ų126127.5 Ų127.567%0.67469%0.687SS**THydrogen-bonded Turntrans-79.85.1179.8-61.4-38.3000113.8L128L128-D130 PolarHBondContact O-N 3.47Å
131R86.6Confident90.2Very high167 Ų167128.6 Ų128.663%0.6368%0.676SS**SBendtrans-119.7136.5-174.5-58.4-173-176-149.10110.7L128 E129L128-R131 PolarHBondContact O-N 3.03Å; L128-R131 VanDerWaalsContact O-N 3.12Å; E129-R131 PolarHBondContact O-N 3Å
132A88.8Confident90.1Very high81 Ų81132.5 Ų132.567%0.66969%0.689SS**PPolyproline II helixtrans-64.9141.5168.900000110.3Y134A132-Y134 PolarHBondContact O-N 2.95Å
133L89.6Confident90.2Very high161 Ų161127.9 Ų127.984%0.84368%0.684SS**PPolyproline II helixtrans-69.5124.4170.2-63.9178.5000109.2L135L133-L135 PolarHBondContact O-N 2.93Å
134Y90.8Very high90Very high209 Ų209130 Ų13082%0.8269%0.689SS**PPolyproline II helixtrans-78.8124.1176.7-64.5-82.6000109.5A132A132-Y134 PolarHBondContact O-N 2.95Å
135L94.6Very high90.1Very high161 Ų161125.6 Ų125.684%0.84367%0.671SS**PPolyproline II helixtrans-82.4140.9171.1-58.2-179.1000109.1L133L133-L135 PolarHBondContact O-N 2.93Å
136R95.8Very high90.3Very high181 Ų181120.3 Ų120.368%0.68365%0.648SS**PPolyproline II helixtrans-77.2135.2168.2-174.6-173.666.481.61.9108.3T139R136-T139 PolarHBondContact NH1-O 3.26Å
137D95.3Very high90.5Very high127 Ų127126.1 Ų126.168%0.67967%0.669SS**PPolyproline II helixtrans-60.6141.5172.5-67.2-41.3000110.6T139D137-T139 HydrophobicContact CB-CG2 4.35Å; D137-T139 PolarHBondContact O-N 2.94Å
138D96.4Very high90.7Very high157 Ų157127.8 Ų127.884%0.8467%0.669SS**SBendtrans-79.965.9178.7-169.827.6000111.3
139T95.9Very high90.9Very high83 Ų83128.6 Ų128.651%0.50967%0.673SS.*  trans-125.7140178.458.50000109.9R136 D137 T141R136-T139 PolarHBondContact NH1-O 3.26Å; D137-T139 HydrophobicContact CB-CG2 4.35Å; D137-T139 PolarHBondContact O-N 2.94Å; T139-T141 PolarHBondContact O-N 2.99Å
140V93.5Very high91.7Very high144 Ų144126.5 Ų126.587%0.87366%0.664SS**  trans-71.9123173.2-177.70000108.8
141T90.8Very high92.1Very high113 Ų113128.9 Ų128.969%0.69367%0.669SS**  trans-108.1-32.3-178.750.80000113.4T139T139-T141 PolarHBondContact O-N 2.99Å
142E87.8Confident92.5Very high162 Ų162128.9 Ų128.976%0.75768%0.68SS**  trans-138.9153-172.5-69.2174.4-172.800110.9
143G88.6Confident92.8Very high62 Ų62126.3 Ų126.364%0.63966%0.659SS**  trans-168.6165177.100000110.7C145G143-C145 VanDerWaalsContact C-N 3.32Å; G143-C145 PolarHBondContact O-N 2.78Å
144D88.8Confident93Very high170 Ų170127.8 Ų127.891%0.90966%0.659SS**  trans58.534.4175.3-154.729.3000115.4
145C91.4Very high93.1Very high42 Ų42122.2 Ų122.228%0.28464%0.643SS.*  trans-99.221.1-17957.30000113.9G143 E147 E148 L149G143-C145 VanDerWaalsContact C-N 3.32Å; G143-C145 PolarHBondContact O-N 2.78Å; C145-E147 PolarHBondContact O-N 3.17Å; C145-E148 PolarHBondContact O-N 3.22Å; C145-L149 WeakPolarHBondContact O-CG 3.41Å; C145-L149 PolarHBondContact O-N 3.44Å
146A92Very high93.1Very high39 Ų39117.9 Ų117.932%0.32262%0.624SS.*Hα-helixtrans-59-45.4-174.900000112.4E148 L149 L150A146-E148 VanDerWaalsContact C-N 3.33Å; A146-E148 PolarHBondContact O-N 3.17Å; A146-L149 PolarHBondContact O-N 3.18Å; A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.33Å; A146-L150 PolarHBondContact O-N 3.31Å
147E91.6Very high93.1Very high173 Ų173113.4 Ų113.481%0.80862%0.616SS**Hα-helixtrans-60.2-41.7178.9-63.7-171.6174.100112.2C145 K151C145-E147 PolarHBondContact O-N 3.17Å; E147-K151 PolarHBondContact O-N 3.45Å
148E93.2Very high93Very high157 Ų157115.3 Ų115.373%0.73462%0.621SS**Hα-helixtrans-68.5-41.5-179.7-62.9-173171.300111.8C145 A146 K151C145-E148 PolarHBondContact O-N 3.22Å; A146-E148 VanDerWaalsContact C-N 3.33Å; A146-E148 PolarHBondContact O-N 3.17Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å
149L92.5Very high92.9Very high114 Ų114115 Ų11560%0.59761%0.614SS**Hα-helixtrans-68-39.4179.1-68.4175.5000112.4C145 A146 K151C145-L149 WeakPolarHBondContact O-CG 3.41Å; C145-L149 PolarHBondContact O-N 3.44Å; A146-L149 PolarHBondContact O-N 3.18Å; L149-K151 VanDerWaalsContact C-N 3.33Å
150L95.4Very high92.8Very high27 Ų27119 Ų11914%0.14162%0.621CS.*Hα-helixtrans-80.4-14-176.6-67172000113.3A146 L152 A153 T156 E159 F161A146-L150 WeakPolarHBondContact O-CB 3.31Å; A146-L150 VanDerWaalsContact O-CG 3.23Å; A146-L150 WeakPolarHBondContact O-CG 3.33Å; A146-L150 PolarHBondContact O-N 3.31Å; L150-L152 PolarHBondContact O-N 3Å; L150-L152 VanDerWaalsContact O-N 3.12Å; L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.33Å; L150-A153 PolarHBondContact O-N 2.96Å; L150-T156 HydrophobicContact CB-CG2 4.31Å; L150-T156 HydrophobicContact CD2-CG2 4.02Å; L150-E159 HydrophobicContact CD1-CB 3.98Å; L150-E159 WeakPolarHBondContact CD1-O 3.31Å; L150-F161 HydrophobicContact CD2-CD1 4.06Å; L150-F161 HydrophobicContact CD2-CD2 4.12Å; L150-F161 HydrophobicContact CD2-CE1 3.8Å; L150-F161 HydrophobicContact CD2-CE2 3.85Å; L150-F161 HydrophobicContact CD2-CG 4.23Å; L150-F161 HydrophobicContact CD2-CZ 3.68Å
151K95.8Very high92.8Very high176 Ų176118.8 Ų118.877%0.76561%0.609SS**THydrogen-bonded Turntrans-56.5-30.8-176.8-172.5175.4179.3177.30114.5E147 E148 L149E147-K151 PolarHBondContact O-N 3.45Å; E148-K151 WeakPolarHBondContact O-CB 3.42Å; L149-K151 VanDerWaalsContact C-N 3.33Å
152L93.7Very high93Very high167 Ų167116.8 Ų116.887%0.87460%0.596SS**THydrogen-bonded Turntrans-96.7-2.4-179.9-62.5-179.9000113.5L150L150-L152 PolarHBondContact O-N 3Å; L150-L152 VanDerWaalsContact O-N 3.12Å
153A94.9Very high93.2Very high27 Ų27112.8 Ų112.822%0.22359%0.591CS.*  trans-68.4139.5178.800000110.4L150 T156 F161L150-A153 VanDerWaalsContact O-CB 3.25Å; L150-A153 WeakPolarHBondContact O-CB 3.33Å; L150-A153 PolarHBondContact O-N 2.96Å; A153-T156 HydrophobicContact CB-CG2 3.43Å; A153-T156 VanDerWaalsContact CB-CG2 3.43Å; A153-F161 HydrophobicContact CB-CD1 3.78Å; A153-F161 HydrophobicContact CB-CE1 3.76Å
154K93.7Very high93.2Very high192 Ų192115 Ų11584%0.83559%0.594SS**SBendtrans-65.4-49.9176.6-178.2-175.2172.1-174.70111.5
155D93.8Very high93Very high92 Ų92111.9 Ų111.949%0.49258%0.583SS.*SBendtrans-133.5133.4-177.1-61.5-55.8000108.2V162D155-V162 HydrophobicContact CB-CB 3.95Å; D155-V162 HydrophobicContact CB-CG2 4.32Å; D155-V162 PolarHBondContact O-N 3.34Å
156T95.3Very high92.1Very high71 Ų71113.2 Ų113.244%0.43660%0.604SS.*EExtended strand (participates in β ladder)trans-135.1145.8176.4570000109.8L150 A153 Y160L150-T156 HydrophobicContact CB-CG2 4.31Å; L150-T156 HydrophobicContact CD2-CG2 4.02Å; A153-T156 HydrophobicContact CB-CG2 3.43Å; A153-T156 VanDerWaalsContact CB-CG2 3.43Å; T156-Y160 VanDerWaalsContact CA-O 3.27Å; T156-Y160 WeakPolarHBondContact CA-O 3.46Å
157V94.6Very high90.7Very high86 Ų86119.2 Ų119.252%0.52163%0.631SS.*EExtended strand (participates in β ladder)trans-139124.5174.9170.80000107.4E159 Y160 V162V157-E159 PolarHBondContact O-N 3.19Å; V157-Y160 PolarHBondContact N-O 3.03Å; V157-Y160 VanDerWaalsContact N-O 3.08Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.49Å; V157-V162 HydrophobicContact CB-CG2 3.87Å; V157-V162 HydrophobicContact CG2-CG2 3.56Å
158E93.8Very high89.6Confident167 Ų167116.9 Ų116.978%0.7862%0.622SS**THydrogen-bonded Turntrans49.942.7177.4-60.6-178.8175.400113.3Y160E158-Y160 HydrophobicContact CB-CD2 4.2Å; E158-Y160 HydrophobicContact CB-CE2 4.47Å; E158-Y160 WeakPolarHBondContact O-CD2 3.36Å; E158-Y160 WeakPolarHBondContact O-CE2 3.49Å; E158-Y160 PolarHBondContact O-N 3.04Å
159E93.2Very high88.3Confident150 Ų150114.6 Ų114.670%0.70162%0.621SS**THydrogen-bonded Turntrans67.914.5-178.1-51175.516600115.1L150 V157L150-E159 HydrophobicContact CD1-CB 3.98Å; L150-E159 WeakPolarHBondContact CD1-O 3.31Å; V157-E159 PolarHBondContact O-N 3.19Å
160Y93.7Very high87.1Confident167 Ų167113.8 Ų113.866%0.65562%0.617SS**EExtended strand (participates in β ladder)trans-105.1147.8172-61.4-85.4000112.1T156 V157 E158T156-Y160 VanDerWaalsContact CA-O 3.27Å; T156-Y160 WeakPolarHBondContact CA-O 3.46Å; V157-Y160 PolarHBondContact N-O 3.03Å; V157-Y160 VanDerWaalsContact N-O 3.08Å; V157-Y160 WeakPolarHBondContact O-CB 3.45Å; V157-Y160 PolarHBondContact O-N 3.49Å; E158-Y160 HydrophobicContact CB-CD2 4.2Å; E158-Y160 HydrophobicContact CB-CE2 4.47Å; E158-Y160 WeakPolarHBondContact O-CD2 3.36Å; E158-Y160 WeakPolarHBondContact O-CE2 3.49Å; E158-Y160 PolarHBondContact O-N 3.04Å
161F95Very high86Confident140 Ų140114.9 Ų114.961%0.61463%0.625SS**EExtended strand (participates in β ladder)trans-66.9130.7164.8-65-80.3000109.8L150 A153L150-F161 HydrophobicContact CD2-CD1 4.06Å; L150-F161 HydrophobicContact CD2-CD2 4.12Å; L150-F161 HydrophobicContact CD2-CE1 3.8Å; L150-F161 HydrophobicContact CD2-CE2 3.85Å; L150-F161 HydrophobicContact CD2-CG 4.23Å; L150-F161 HydrophobicContact CD2-CZ 3.68Å; A153-F161 HydrophobicContact CB-CD1 3.78Å; A153-F161 HydrophobicContact CB-CE1 3.76Å
162V94.6Very high85Confident72 Ų72113.1 Ų113.144%0.43662%0.618SS.*  trans-90.4123.7175.7-178.80000109.5D155 V157D155-V162 HydrophobicContact CB-CB 3.95Å; D155-V162 HydrophobicContact CB-CG2 4.32Å; D155-V162 PolarHBondContact O-N 3.34Å; V157-V162 HydrophobicContact CB-CG2 3.87Å; V157-V162 HydrophobicContact CG2-CG2 3.56Å
163A91.7Very high83.9Confident78 Ų78110.7 Ų110.765%0.64560%0.597SS**  trans-110.4146.5166.300000109.4
164P88.2Confident83.1Confident107 Ų107116.5 Ų116.570%0.69562%0.619SS**PPolyproline II helixtrans-53.4154.3165.5-23.133.6000110.7G166P164-G166 PolarHBondContact O-N 3.26Å
165P84.8Confident82.2Confident105 Ų105111.9 Ų111.968%0.68260%0.601SS**PPolyproline II helixtrans-52.8118179.721.7-32.6000110.3
166G73.1Confident81.2Confident70 Ų70110.1 Ų110.172%0.72259%0.587SS**SBendtrans-67.1162.3175.700000111.3P164P164-G166 PolarHBondContact O-N 3.26Å
167N62.8Low80Confident166 Ų166108.9 Ų108.989%0.88858%0.584SS**  trans72.630.6-179.4-157.942.5000115.5P169N167-P169 WeakPolarHBondContact O-CD 3.45Å
168I68.3Low78.8Confident124 Ų124106 Ų10664%0.63657%0.57SS**  trans-72.1116162.8-59.1170.6000106.9L170I168-L170 PolarHBondContact O-N 3.38Å
169P65.4Low77.5Confident109 Ų109103 Ų10371%0.70856%0.558SS**PPolyproline II helixtrans-59.4129.4176.124.9-31.9000108.2N167N167-P169 WeakPolarHBondContact O-CD 3.45Å
170L66.9Low75.8Confident97 Ų9797.2 Ų97.251%0.50853%0.532SS..PPolyproline II helixtrans-56.9141.8175.6-68.4172.9000108.9R88 I168 K172 R176R88-L170 HydrophobicContact CB-CD1 4.41Å; R88-L170 HydrophobicContact CG-CD1 4.01Å; I168-L170 PolarHBondContact O-N 3.38Å; L170-K172 PolarHBondContact O-N 3.15Å; L170-R176 VanDerWaalsContact CB-NH2 3.28Å
171P72.6Confident74.3Confident49 Ų4997.8 Ų97.832%0.31853%0.533SS..PPolyproline II helixtrans-51.9144.8178-21.729.3000110.2E175 R176P171-E175 WeakPolarHBondContact CA-OE2 3.27Å; P171-E175 HydrophobicContact CB-CB 3.97Å; P171-R176 HydrophobicContact CB-CG 3.88Å; P171-R176 HydrophobicContact CG-CG 4.48Å; P171-R176 VanDerWaalsContact O-CZ 3.31Å; P171-R176 PolarHBondContact O-NE 3.35Å; P171-R176 PolarHBondContact O-NH2 3.47Å
172K75.3Confident72.4Confident139 Ų13997.7 Ų97.760%0.60453%0.534SS*.PPolyproline II helixtrans-63.5158.2177.3-68-179.6-177.9174.60109.7L170 E174 E175 R176L170-K172 PolarHBondContact O-N 3.15Å; K172-E174 PolarHBondContact O-N 3.11Å; K172-E174 VanDerWaalsContact O-N 3.16Å; K172-E175 HydrophobicContact CB-CG 4.37Å; K172-E175 PolarHBondContact N-OE2 3.27Å; K172-E175 WeakPolarHBondContact O-CB 3.32Å; K172-E175 PolarHBondContact O-N 2.88Å; K172-R176 PolarHBondContact O-N 3.43Å
173R71.1Confident70.4Confident117 Ų11797.8 Ų97.844%0.44254%0.538SS..Hα-helixtrans-53.4-39.3-178.4-178.1-179.3170.9177.22.6112.5D81 D84 E175 R176 A177D81-R173 IonicContact OD1-CZ 2.7Å; D81-R173 IonicContact OD1-NH1 2.72Å; D81-R173 PolarHBondContact OD1-NH1 2.76Å; D81-R173 IonicContact OD1-NH2 2.96Å; D84-R173 WeakPolarHBondContact OD2-CD 3.5Å; R173-E175 VanDerWaalsContact C-N 3.35Å; R173-R176 PolarHBondContact O-N 3.06Å; R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.41Å
174E77.6Confident68.5Low148 Ų148101.1 Ų101.169%0.69254%0.54SS*.Hα-helixtrans-63.1-40.5176.8-62.9121.4-162.900112.3K172 A177 A178K172-E174 PolarHBondContact O-N 3.11Å; K172-E174 VanDerWaalsContact O-N 3.16Å; E174-A177 PolarHBondContact O-N 3.32Å; E174-A178 PolarHBondContact O-N 3.25Å
175E75.3Confident66.2Low96 Ų96108 Ų10845%0.44956%0.56SS.*Hα-helixtrans-69.5-41.4179.5-64.2164.3-172.500111P171 K172 R173 A178 I179P171-E175 WeakPolarHBondContact CA-OE2 3.27Å; P171-E175 HydrophobicContact CB-CB 3.97Å; K172-E175 HydrophobicContact CB-CG 4.37Å; K172-E175 PolarHBondContact N-OE2 3.27Å; K172-E175 WeakPolarHBondContact O-CB 3.32Å; K172-E175 PolarHBondContact O-N 2.88Å; R173-E175 VanDerWaalsContact C-N 3.35Å; E175-A178 WeakPolarHBondContact O-CB 3Å; E175-A178 PolarHBondContact O-N 3.03Å; E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.4Å; E175-I179 PolarHBondContact O-N 3.3Å
176R71.4Confident65.2Low54 Ų54108.2 Ų108.220%0.20455%0.554CS.*Hα-helixtrans-64.2-42175-61.4-172.7-148.3169.710.4112.2L170 P171 K172 R173 A178 I179 L180L170-R176 VanDerWaalsContact CB-NH2 3.28Å; P171-R176 HydrophobicContact CB-CG 3.88Å; P171-R176 HydrophobicContact CG-CG 4.48Å; P171-R176 VanDerWaalsContact O-CZ 3.31Å; P171-R176 PolarHBondContact O-NE 3.35Å; P171-R176 PolarHBondContact O-NH2 3.47Å; K172-R176 PolarHBondContact O-N 3.43Å; R173-R176 PolarHBondContact O-N 3.06Å; R176-A178 PolarHBondContact O-N 3.09Å; R176-I179 PolarHBondContact O-N 3.29Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.34Å
177A69.9Low64.8Low45 Ų45110.2 Ų110.237%0.37255%0.545SS..Hα-helixtrans-64.2-30.7175.600000112.2R173 E174 R181R173-A177 WeakPolarHBondContact O-CB 3.2Å; R173-A177 PolarHBondContact O-N 3.41Å; E174-A177 PolarHBondContact O-N 3.32Å; A177-R181 WeakPolarHBondContact O-CG 3.25Å; A177-R181 PolarHBondContact O-N 3.23Å
178A71.2Confident64.9Low27 Ų27107.1 Ų107.122%0.22353%0.526CS..Hα-helixtrans-69.9-47.9171.700000111.6E174 E175 R176 L180 R181 H182E174-A178 PolarHBondContact O-N 3.25Å; E175-A178 WeakPolarHBondContact O-CB 3Å; E175-A178 PolarHBondContact O-N 3.03Å; R176-A178 PolarHBondContact O-N 3.09Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 3.06Å; A178-R181 WeakPolarHBondContact O-CB 3.37Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-R181 VanDerWaalsContact O-N 3.15Å; A178-H182 PolarHBondContact O-CD2 3.08Å; A178-H182 PolarHBondContact O-N 3.15Å; A178-H182 PolarHBondContact O-NE2 2.88Å
179I64.5Low64.7Low102 Ų102106.1 Ų106.152%0.52352%0.519SS..Hα-helixtrans-55.9-45.3178.8-66.6162.4000111.4E175 R176 R181 H182 S183E175-I179 VanDerWaalsContact O-CG1 3.31Å; E175-I179 WeakPolarHBondContact O-CG1 3.4Å; E175-I179 PolarHBondContact O-N 3.3Å; R176-I179 PolarHBondContact O-N 3.29Å; I179-R181 PolarHBondContact O-N 2.98Å; I179-H182 WeakPolarHBondContact O-CB 3.23Å; I179-H182 PolarHBondContact O-N 3.28Å; I179-H182 VanDerWaalsContact O-N 3.09Å; I179-S183 PolarHBondContact O-N 3.32Å
180L59.4Low64.7Low30 Ų30105.9 Ų105.916%0.15751%0.507CS..Hα-helixtrans-67.3-34.1179.9-70.3168.2000113.2R95 R176 A178 H182 S183 E184R95-L180 HydrophobicContact CB-CD1 3.87Å; R95-L180 HydrophobicContact CG-CD1 4.14Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.34Å; A178-L180 VanDerWaalsContact C-N 3.31Å; A178-L180 PolarHBondContact O-N 3.06Å; L180-H182 PolarHBondContact O-N 3.12Å; L180-H182 VanDerWaalsContact O-N 3.15Å; L180-S183 WeakPolarHBondContact CA-OG 3.47Å; L180-S183 PolarHBondContact O-N 3.39Å; L180-S183 VanDerWaalsContact O-N 3.11Å; L180-S183 PolarHBondContact O-OG 2.99Å; L180-S183 VanDerWaalsContact O-OG 3.06Å; L180-E184 PolarHBondContact O-N 3.24Å
181R61.7Low64.5Low179 Ų179106.5 Ų106.568%0.67551%0.507SS*.Hα-helixtrans-62.4-19.9172.9-77.9-169-64.7159.3-1.4113.1A177 A178 I179A177-R181 WeakPolarHBondContact O-CG 3.25Å; A177-R181 PolarHBondContact O-N 3.23Å; A178-R181 WeakPolarHBondContact O-CB 3.37Å; A178-R181 PolarHBondContact O-N 3.39Å; A178-R181 VanDerWaalsContact O-N 3.15Å; I179-R181 PolarHBondContact O-N 2.98Å
182H55.4Low64Low137 Ų137110.6 Ų110.663%0.63452%0.521SS*.Hα-helixtrans-96.3-12.6178.2-53.9-47000112.9A178 I179 L180A178-H182 PolarHBondContact O-CD2 3.08Å; A178-H182 PolarHBondContact O-N 3.15Å; A178-H182 PolarHBondContact O-NE2 2.88Å; I179-H182 WeakPolarHBondContact O-CB 3.23Å; I179-H182 PolarHBondContact O-N 3.28Å; I179-H182 VanDerWaalsContact O-N 3.09Å; L180-H182 PolarHBondContact O-N 3.12Å; L180-H182 VanDerWaalsContact O-N 3.15Å
183S52.1Low63.1Low75 Ų75108.4 Ų108.452%0.52451%0.514SS..Hα-helixtrans-98.5-1.7178.369.70000114.1I179 L180 F185I179-S183 PolarHBondContact O-N 3.32Å; L180-S183 WeakPolarHBondContact CA-OG 3.47Å; L180-S183 PolarHBondContact O-N 3.39Å; L180-S183 VanDerWaalsContact O-N 3.11Å; L180-S183 PolarHBondContact O-OG 2.99Å; L180-S183 VanDerWaalsContact O-OG 3.06Å; S183-F185 PolarHBondContact O-N 3.18Å
184E50.8Low62.4Low148 Ų148107.7 Ų107.769%0.69252%0.52SS*.  trans-82.119.9173.7-69.3-163.7157.300113.4L180L180-E184 PolarHBondContact O-N 3.24Å
185F39.9Very low61.1Low251 Ų251104 Ų104100%1.10151%0.505SS*.  trans-1020167.4-78.9-76.2000111.5S183S183-F185 PolarHBondContact O-N 3.18Å

Retrieved 185 of 185 residues in 102.6 ms (Link to these results)