X5D7P1_HUMAN Loading...

Ribosomal protein L10 isoform C

AlphaFold DB , UniProt , Accession X5D7P1, Species HUMAN (Homo sapiens, Human), Gene RPL10, Length 116 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
1M53.7Low83.8Confident248 Ų248147 Ų147100%1.22270%0.7SS**  0127.40-71.8-161.3-86.300109.3
2G83.2Confident84.2Confident76 Ų76140.8 Ų140.878%0.78468%0.683SS**PPolyproline II helixtrans-77.6164.8-176.600000113.8
3R83.7Confident84.4Confident241 Ų241143.2 Ų143.291%0.90969%0.688SS**PPolyproline II helixtrans-67142.4171-70.8-176.2171.9-172.3-2.1110
4R87.1Confident84.5Confident184 Ų184142.6 Ų142.669%0.69469%0.69SS**PPolyproline II helixtrans-60.1146.1173.1-79.4176.5176-176.51.7110.5Y9R4-Y9 HydrophobicContact CB-CE2 3.84Å; R4-Y9 VanDerWaalsContact CD-OH 3.27Å; R4-Y9 WeakPolarHBondContact CD-OH 3.38Å
5P90.4Very high84.6Confident69 Ų69145.5 Ų145.545%0.44870%0.698SS.*PPolyproline II helixtrans-59.6142.7178.9-2534.8000113.2R7 C8P5-R7 HydrophobicContact CB-CG 4.13Å; P5-R7 PolarHBondContact O-N 3.39Å; P5-C8 WeakPolarHBondContact O-CB 3.38Å; P5-C8 PolarHBondContact O-N 2.92Å
6A86.9Confident84.7Confident78 Ų78143.4 Ų143.465%0.64570%0.7SS**G310 helixtrans-58.3-23.4-177.300000114.1C8 Y9 R10A6-C8 PolarHBondContact O-N 3.38Å; A6-Y9 CarbonylContact O-C 3.58Å; A6-Y9 PolarHBondContact O-N 3.5Å; A6-R10 PolarHBondContact O-N 3.14Å; A6-R10 VanDerWaalsContact O-N 3.14Å
7R89Confident84.8Confident201 Ų201143.4 Ų143.476%0.75869%0.692SS**G310 helixtrans-57.5-30.2175.473-172.7177.7-156.60.6113.1P5 Y9P5-R7 HydrophobicContact CB-CG 4.13Å; P5-R7 PolarHBondContact O-N 3.39Å; R7-Y9 PolarHBondContact O-N 3.49Å
8C88.1Confident85Confident79 Ų79140.3 Ų140.353%0.53469%0.685SS.*G310 helixtrans-68.8-24178.7-61.30000112.8P5 A6P5-C8 WeakPolarHBondContact O-CB 3.38Å; P5-C8 PolarHBondContact O-N 2.92Å; A6-C8 PolarHBondContact O-N 3.38Å
9Y86Confident85.2Confident145 Ų145141.9 Ų141.957%0.56969%0.688SS**G310 helixtrans-118.211.7-175.4-55.3-74.6000113.3R4 A6 R7 Y11R4-Y9 HydrophobicContact CB-CE2 3.84Å; R4-Y9 VanDerWaalsContact CD-OH 3.27Å; R4-Y9 WeakPolarHBondContact CD-OH 3.38Å; A6-Y9 CarbonylContact O-C 3.58Å; A6-Y9 PolarHBondContact O-N 3.5Å; R7-Y9 PolarHBondContact O-N 3.49Å; Y9-Y11 PolarHBondContact O-N 3.28Å
10R86Confident85.4Confident138 Ų138137.3 Ų137.352%0.52167%0.671SS.*SBendtrans-60.8-30.7-174.6-177.4173.8-178.8156.6-1.1113.9A6A6-R10 PolarHBondContact O-N 3.14Å; A6-R10 VanDerWaalsContact O-N 3.14Å
11Y88.1Confident85.7Confident158 Ų158141.9 Ų141.962%0.6268%0.681SS**SBendtrans-111.2138.3-172.5-61.3-78.9000111.9Y9 K13Y9-Y11 PolarHBondContact O-N 3.28Å; Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.08Å
12C87.8Confident87.4Confident73 Ų73139.2 Ų139.249%0.49366%0.663SS.*  trans-77.579.2175.8-61.20000110.8K30C12-K30 HydrophobicContact CB-CD 3.96Å; C12-K30 HydrophobicContact CB-CG 4.49Å; C12-K30 VanDerWaalsContact SG-CB 3.58Å; C12-K30 VanDerWaalsContact SG-CD 3.59Å; C12-K30 WeakPolarHBondContact SG-CG 3.44Å
13K86.8Confident87.3Confident172 Ų172136 Ų13675%0.74863%0.628SS**  trans-90-40.9-177.9-59.5-177-178.3-174.70113.9Y11Y11-K13 VanDerWaalsContact C-N 3.34Å; Y11-K13 PolarHBondContact O-N 3.08Å
14N85.8Confident87.2Confident135 Ų135135.2 Ų135.272%0.72263%0.625SS**SBendtrans-93.6160.9-174.3-59.8-16.3000111.5K30N14-K30 PolarHBondContact O-NZ 3.29Å
15K86.4Confident86.6Confident186 Ų186129.9 Ų129.981%0.80963%0.628SS**PPolyproline II helixtrans-53.7151.6171-66.4178.5-179178.40111.2Y17K15-Y17 PolarHBondContact O-N 3.49Å
16P86.4Confident85.8Confident112 Ų112129.5 Ų129.573%0.72762%0.624SS**PPolyproline II helixtrans-55.5133.8174.1-24.334.5000110.8P18P16-P18 WeakPolarHBondContact O-CD 3.37Å
17Y86.3Confident85.2Confident143 Ų143129.3 Ų129.356%0.56162%0.617SS**  trans-122.977.6-180-163.2-133.7000108.7K15 C23K15-Y17 PolarHBondContact O-N 3.49Å; Y17-C23 WeakPolarHBondContact CD1-SG 3.07Å; Y17-C23 HydrophobicContact CE1-CB 4.14Å; Y17-C23 WeakPolarHBondContact CE1-SG 3.43Å; Y17-C23 HydrophobicContact CE2-CB 4.33Å; Y17-C23 PolarHBondContact OH-SG 3.13Å
18P87.9Confident84.4Confident87 Ų87126.9 Ų126.957%0.56562%0.618SS**  trans-74161.4-171.630.9-35.8000112P16 S20P16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-S20 PolarHBondContact O-N 3.31Å
19K88.7Confident83.8Confident171 Ų171127.4 Ų127.474%0.74363%0.628SS**  trans-55.7125.9170.6-157.4171.4178178.60109.2V26K19-V26 HydrophobicContact CB-CG2 3.55Å; K19-V26 HydrophobicContact CG-CG2 3.77Å
20S89.7Confident83.8Confident50 Ų50124.4 Ų124.435%0.3562%0.618SS.*BIsolated β-bridgetrans-149174.1179.862.90000109.8P18 F22 C23P18-S20 PolarHBondContact O-N 3.31Å; S20-F22 PolarHBondContact O-N 3.17Å; S20-C23 PolarHBondContact N-O 2.81Å; S20-C23 VanDerWaalsContact N-O 3.14Å; S20-C23 CarbonylContact O-C 3.51Å; S20-C23 PolarHBondContact O-N 2.83Å; S20-C23 VanDerWaalsContact OG-CB 3.32Å; S20-C23 WeakPolarHBondContact OG-CB 3.16Å; S20-C23 PolarHBondContact OG-N 3.09Å
21R91.8Very high84Confident233 Ų233121.2 Ų121.288%0.87961%0.611SS**THydrogen-bonded Turntrans-56.1-35174.8-60.1-176.6-163.91634.1111.7
22F88.2Confident84.2Confident193 Ų193120.4 Ų120.485%0.84661%0.613SS**THydrogen-bonded Turntrans-84.5-12.3179.9-49.4-69.1000113.4S20S20-F22 PolarHBondContact O-N 3.17Å
23C83.1Confident84.4Confident8 Ų8125.7 Ų125.75%0.05463%0.634CS.*BIsolated β-bridgetrans-139.4103.7-169.8-160.60000113.1Y17 S20Y17-C23 WeakPolarHBondContact CD1-SG 3.07Å; Y17-C23 HydrophobicContact CE1-CB 4.14Å; Y17-C23 WeakPolarHBondContact CE1-SG 3.43Å; Y17-C23 HydrophobicContact CE2-CB 4.33Å; Y17-C23 PolarHBondContact OH-SG 3.13Å; S20-C23 PolarHBondContact N-O 2.81Å; S20-C23 VanDerWaalsContact N-O 3.14Å; S20-C23 CarbonylContact O-C 3.51Å; S20-C23 PolarHBondContact O-N 2.83Å; S20-C23 VanDerWaalsContact OG-CB 3.32Å; S20-C23 WeakPolarHBondContact OG-CB 3.16Å; S20-C23 PolarHBondContact OG-N 3.09Å
24R80.9Confident84.7Confident224 Ų224121.3 Ų121.385%0.84564%0.637SS**  trans-98.3-27.1-177.2-60.2-177.4-176.1166.20.8113.9V26R24-V26 PolarHBondContact O-N 2.86Å
25G73.2Confident85.1Confident73 Ų73119.6 Ų119.675%0.75363%0.625SS**SBendtrans-98.366.1-177.700000113
26V75.1Confident85.5Confident60 Ų60116 Ų11636%0.36462%0.619SS.*PPolyproline II helixtrans-74.9136.6-171.6-173.30000111K19 R24K19-V26 HydrophobicContact CB-CG2 3.55Å; K19-V26 HydrophobicContact CG-CG2 3.77Å; R24-V26 PolarHBondContact O-N 2.86Å
27P73.9Confident85.8Confident75 Ų75114.2 Ų114.249%0.48760%0.602SS.*PPolyproline II helixtrans-70.1164.6174.130-35.3000112.3
28D71.9Confident86.2Confident149 Ų149111.8 Ų111.880%0.79760%0.597SS**PPolyproline II helixtrans-57.7156.7176.1-61.7-44.2000112.7K30D28-K30 PolarHBondContact O-N 3.14Å
29A76.3Confident86.6Confident90 Ų90111.3 Ų111.374%0.74460%0.596SS**PPolyproline II helixtrans-59.2133.9-179.700000111.9
30K86.5Confident87Confident82 Ų82107.3 Ų107.336%0.35758%0.582SS.*PPolyproline II helixtrans-86134.5174.2-68.7-179.2172.9170.80109.6C12 N14 D28C12-K30 HydrophobicContact CB-CD 3.96Å; C12-K30 HydrophobicContact CB-CG 4.49Å; C12-K30 VanDerWaalsContact SG-CB 3.58Å; C12-K30 VanDerWaalsContact SG-CD 3.59Å; C12-K30 WeakPolarHBondContact SG-CG 3.44Å; N14-K30 PolarHBondContact O-NZ 3.29Å; D28-K30 PolarHBondContact O-N 3.14Å
31I88.9Confident87.3Confident72 Ų72110 Ų11037%0.36958%0.584SS.*  trans-122.3136.6-175.7-62.7160.1000109.5Q35 I37I31-Q35 HydrophobicContact CG2-CB 3.91Å; I31-Q35 HydrophobicContact CG2-CG 4.24Å; I31-I37 HydrophobicContact CD1-CD1 3.88Å; I31-I37 HydrophobicContact CD1-CG1 3.79Å; I31-I37 HydrophobicContact CD1-CG2 4.1Å; I31-I37 HydrophobicContact CG2-CD1 4.43Å; I31-I37 HydrophobicContact CG2-CG1 4.09Å
32H91.9Very high87.6Confident141 Ų141102 Ų10265%0.65356%0.561SS**  trans-93.7165.8176.3-65.4-71.5000112.9G34 Q35H32-G34 PolarHBondContact O-N 3.11Å; H32-Q35 WeakPolarHBondContact O-CB 3.32Å; H32-Q35 PolarHBondContact O-N 3.22Å
33I93Very high87.9Confident183 Ų183100.4 Ų100.494%0.93855%0.554SS**THydrogen-bonded Turntrans-63.2131.9174.7-60.3173000108.9Q35I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 2.82Å
34G92.5Very high88.4Confident80 Ų80107.9 Ų107.983%0.82559%0.592SS**THydrogen-bonded Turntrans82.6-2.6-179.600000114.8H32H32-G34 PolarHBondContact O-N 3.11Å
35Q94.6Very high89.2Confident99 Ų99105.1 Ų105.146%0.46359%0.589SS.*  trans-79.4135175.3-174.1178.4-6.500111.1I31 H32 I33I31-Q35 HydrophobicContact CG2-CB 3.91Å; I31-Q35 HydrophobicContact CG2-CG 4.24Å; H32-Q35 WeakPolarHBondContact O-CB 3.32Å; H32-Q35 PolarHBondContact O-N 3.22Å; I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 2.82Å
36V93.9Very high90.4Very high111 Ų111104.9 Ų104.967%0.67357%0.571SS**  trans-74.3128.4176.9-179.20000109.5
37I93.7Very high91.4Very high74 Ų74107.5 Ų107.538%0.37958%0.577SS.*  trans-92.9-49.5177.9-53178.5000110.7I31 F61 Q65I31-I37 HydrophobicContact CD1-CD1 3.88Å; I31-I37 HydrophobicContact CD1-CG1 3.79Å; I31-I37 HydrophobicContact CD1-CG2 4.1Å; I31-I37 HydrophobicContact CG2-CD1 4.43Å; I31-I37 HydrophobicContact CG2-CG1 4.09Å; I37-F61 HydrophobicContact CG2-CE1 3.96Å; I37-F61 HydrophobicContact CG2-CZ 3.98Å; I37-Q65 HydrophobicContact CD1-CG 4.33Å
38M94.6Very high92.5Very high92 Ų92111.3 Ų111.345%0.45359%0.589SS.*  trans-136.4144.2178.8-59.9-171.9-52.400109.6L54 A57 F61M38-L54 HydrophobicContact CE-CD2 4Å; M38-A57 HydrophobicContact CE-CB 3.64Å; M38-F61 HydrophobicContact CE-CE2 3.84Å; M38-F61 HydrophobicContact CE-CZ 4.42Å; M38-F61 HydrophobicContact SD-CE2 4.19Å; M38-F61 HydrophobicContact SD-CZ 4.19Å
39S96.1Very high93.7Very high77 Ų77110.8 Ų110.854%0.53858%0.581SS.*  trans-132.5145.2173.958.70000109.4F75S39-F75 WeakPolarHBondContact OG-CE1 3.37Å
40I97.3Very high94.8Very high87 Ų87107.8 Ų107.845%0.44655%0.553SS.*  trans-131129.5-179.9-54.4177.1000107.2T42 V50 L54I40-T42 HydrophobicContact CG2-CG2 3.64Å; I40-V50 HydrophobicContact CB-CG1 3.98Å; I40-V50 HydrophobicContact CD1-CG1 4.05Å; I40-V50 HydrophobicContact CG2-CG1 4.17Å; I40-V50 HydrophobicContact CG2-CG2 4.26Å; I40-L54 HydrophobicContact CD1-CD2 3.78Å; I40-L54 HydrophobicContact CD1-CG 4.02Å; I40-L54 HydrophobicContact CG1-CD2 4.38Å
41R96.5Very high95.3Very high108 Ų108106.9 Ų106.941%0.40855%0.552SS.*  trans-108.7122.7172.3179.3179.170.7-173.3-2.7108.7F75 C97R41-F75 HydrophobicContact CB-CD1 4.15Å; R41-F75 HydrophobicContact CB-CD2 4.32Å; R41-F75 HydrophobicContact CB-CE1 3.74Å; R41-F75 HydrophobicContact CB-CE2 3.95Å; R41-F75 HydrophobicContact CB-CG 4.43Å; R41-F75 HydrophobicContact CB-CZ 3.64Å; R41-C97 PolarHBondContact NH1-O 3.31Å; R41-C97 PolarHBondContact NH2-SG 2.94Å
42T96.8Very high95.7Very high64 Ų64106.2 Ų106.239%0.39355%0.547SS..  trans-138.6172.2177.275.10000110.2I40 V50I40-T42 HydrophobicContact CG2-CG2 3.64Å; T42-V50 HydrophobicContact CG2-CG2 3.45Å; T42-V50 VanDerWaalsContact CG2-CG2 3.45Å
43K95.5Very high96Very high159 Ų159101.8 Ų101.869%0.69154%0.535SS*.  trans-61.6153.4163.2-59-174178.8-178.40110.4Q45 N46K43-Q45 PolarHBondContact O-N 3.07Å; K43-N46 PolarHBondContact O-N 2.93Å; K43-N46 VanDerWaalsContact O-N 3.14Å
44L94.4Very high96.2Very high165 Ų16594.7 Ų94.786%0.86450%0.499SS*.G310 helixtrans-59.4-31.6-177.7-65.9175.1000113.1N46 K47L44-N46 PolarHBondContact O-N 3.47Å; L44-K47 WeakPolarHBondContact O-CB 3.39Å; L44-K47 PolarHBondContact O-N 3.14Å
45Q97.3Very high96.4Very high166 Ų16695.9 Ų95.978%0.77648%0.478SS*.G310 helixtrans-57.3-31.5177.9-62.7169.4-8.100113K43 K47K43-Q45 PolarHBondContact O-N 3.07Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 3.03Å
46N97.4Very high96.6Very high69 Ų6999 Ų9937%0.36949%0.486SS..G310 helixtrans-92.811.8-173.7-64.6-20.2000113.6K43 L44 E48 H49 V50K43-N46 PolarHBondContact O-N 2.93Å; K43-N46 VanDerWaalsContact O-N 3.14Å; L44-N46 PolarHBondContact O-N 3.47Å; N46-E48 VanDerWaalsContact C-N 3.34Å; N46-E48 PolarHBondContact O-N 3.29Å; N46-H49 PolarHBondContact O-N 2.98Å; N46-V50 WeakPolarHBondContact O-CG2 3.25Å; N46-V50 PolarHBondContact O-N 3.46Å; N46-V50 VanDerWaalsContact O-N 3.08Å
47K96.1Very high96.7Very high114 Ų11494.9 Ų94.950%0.49646%0.464SS..Hα-helixtrans-52.7-48.1-174.3173.7178.9168.6-178.80112.7L44 Q45 V50 I51 I69L44-K47 WeakPolarHBondContact O-CB 3.39Å; L44-K47 PolarHBondContact O-N 3.14Å; Q45-K47 VanDerWaalsContact C-N 3.33Å; Q45-K47 PolarHBondContact O-N 3.03Å; K47-V50 PolarHBondContact O-N 3.35Å; K47-I51 HydrophobicContact CG-CD1 4.03Å; K47-I51 WeakPolarHBondContact O-CG1 3.24Å; K47-I51 PolarHBondContact O-N 3.2Å; K47-I51 VanDerWaalsContact O-N 3.1Å; K47-I69 VanDerWaalsContact CE-CD1 3.5Å
48E97.4Very high96.8Very high156 Ų15695.2 Ų95.273%0.72946%0.462SS*.Hα-helixtrans-67.6-41.1-176.8-62.3-176172.600112.1N46 V50 I51 E52N46-E48 VanDerWaalsContact C-N 3.34Å; N46-E48 PolarHBondContact O-N 3.29Å; E48-V50 VanDerWaalsContact C-N 3.3Å; E48-V50 PolarHBondContact O-N 3.4Å; E48-I51 PolarHBondContact O-N 2.96Å; E48-E52 PolarHBondContact O-N 2.83Å
49H98Very high96.8Very high137 Ų13797.7 Ų97.763%0.63447%0.471SS*.Hα-helixtrans-60.5-39.8175.9-60.6-50.5000112.1N46 E52 A53N46-H49 PolarHBondContact O-N 2.98Å; H49-E52 PolarHBondContact O-N 3.07Å; H49-A53 WeakPolarHBondContact O-CB 3.37Å; H49-A53 PolarHBondContact O-N 2.97Å
50V97.8Very high96.7Very high27 Ų27102.6 Ų102.616%0.16448%0.483CS..Hα-helixtrans-67.9-41.3177.41750000111.5I40 T42 N46 K47 E48 E52 A53 L54I40-V50 HydrophobicContact CB-CG1 3.98Å; I40-V50 HydrophobicContact CD1-CG1 4.05Å; I40-V50 HydrophobicContact CG2-CG1 4.17Å; I40-V50 HydrophobicContact CG2-CG2 4.26Å; T42-V50 HydrophobicContact CG2-CG2 3.45Å; T42-V50 VanDerWaalsContact CG2-CG2 3.45Å; N46-V50 WeakPolarHBondContact O-CG2 3.25Å; N46-V50 PolarHBondContact O-N 3.46Å; N46-V50 VanDerWaalsContact O-N 3.08Å; K47-V50 PolarHBondContact O-N 3.35Å; E48-V50 VanDerWaalsContact C-N 3.3Å; E48-V50 PolarHBondContact O-N 3.4Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.13Å; V50-A53 PolarHBondContact O-N 2.86Å; V50-L54 HydrophobicContact CG1-CD1 4.13Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.9Å
51I97.3Very high96.4Very high64 Ų64101.9 Ų101.933%0.32848%0.477SS..Hα-helixtrans-60.3-45.1176.9-68.8166.4000110.2K47 E48 L54 R55 I69K47-I51 HydrophobicContact CG-CD1 4.03Å; K47-I51 WeakPolarHBondContact O-CG1 3.24Å; K47-I51 PolarHBondContact O-N 3.2Å; K47-I51 VanDerWaalsContact O-N 3.1Å; E48-I51 PolarHBondContact O-N 2.96Å; I51-L54 PolarHBondContact O-N 3.09Å; I51-R55 WeakPolarHBondContact O-CB 3.34Å; I51-R55 PolarHBondContact O-N 3.43Å; I51-I69 HydrophobicContact CD1-CD1 4.23Å
52E97.8Very high96.2Very high57 Ų57101 Ų10127%0.26648%0.484SS..Hα-helixtrans-65.8-41.3177.9177.354.1-158.200112.1E48 H49 V50 L54 R55 R56E48-E52 PolarHBondContact O-N 2.83Å; H49-E52 PolarHBondContact O-N 3.07Å; V50-E52 VanDerWaalsContact C-N 3.32Å; V50-E52 PolarHBondContact O-N 3.13Å; E52-L54 PolarHBondContact O-N 2.95Å; E52-R55 WeakPolarHBondContact O-CB 3.32Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 IonicContact OE1-CZ 3.35Å; E52-R55 IonicContact OE1-NE 2.7Å; E52-R55 IonicContact OE1-NH2 3.19Å; E52-R55 PolarHBondContact OE1-NH2 3.08Å; E52-R55 IonicContact OE2-CZ 2.85Å; E52-R55 IonicContact OE2-NE 2.71Å; E52-R55 PolarHBondContact OE2-NE 3.44Å; E52-R55 IonicContact OE2-NH2 3.57Å; E52-R55 PolarHBondContact OE2-NH2 3.21Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.29Å; E52-R56 IonicContact OE1-CZ 3.99Å; E52-R56 IonicContact OE1-NE 3.56Å; E52-R56 PolarHBondContact OE1-NE 3.12Å; E52-R56 IonicContact OE1-NH2 3.64Å
53A98.1Very high95.9Very high49 Ų4999.9 Ų99.941%0.40549%0.486SS..Hα-helixtrans-60-44.9175.300000111.9H49 V50 R55 R56 A57H49-A53 WeakPolarHBondContact O-CB 3.37Å; H49-A53 PolarHBondContact O-N 2.97Å; V50-A53 PolarHBondContact O-N 2.86Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 2.82Å; A53-R56 PolarHBondContact O-N 2.91Å; A53-A57 WeakPolarHBondContact O-CB 2.92Å; A53-A57 PolarHBondContact O-N 3.45Å
54L97.7Very high95.8Very high33 Ų33104.3 Ų104.317%0.17350%0.499CS..Hα-helixtrans-67.7-33.4176.2-70.5176000112.2M38 I40 V50 I51 E52 A57 K58 I67M38-L54 HydrophobicContact CE-CD2 4Å; I40-L54 HydrophobicContact CD1-CD2 3.78Å; I40-L54 HydrophobicContact CD1-CG 4.02Å; I40-L54 HydrophobicContact CG1-CD2 4.38Å; V50-L54 HydrophobicContact CG1-CD1 4.13Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 WeakPolarHBondContact O-CG 3.38Å; V50-L54 PolarHBondContact O-N 2.9Å; I51-L54 PolarHBondContact O-N 3.09Å; E52-L54 PolarHBondContact O-N 2.95Å; L54-A57 PolarHBondContact O-N 3.39Å; L54-K58 WeakPolarHBondContact O-CB 3.45Å; L54-K58 PolarHBondContact O-N 2.85Å; L54-I67 HydrophobicContact CB-CD1 3.86Å; L54-I67 HydrophobicContact CB-CG1 4.06Å; L54-I67 HydrophobicContact CB-CG2 4.36Å; L54-I67 HydrophobicContact CD1-CG2 3.98Å
55R97.1Very high95.9Very high105 Ų10598.7 Ų98.740%0.39647%0.468SS..Hα-helixtrans-63.4-42.7173.3-169.1-171.170.295.82.6111.3I51 E52 A53 K58 F59 I67I51-R55 WeakPolarHBondContact O-CB 3.34Å; I51-R55 PolarHBondContact O-N 3.43Å; E52-R55 WeakPolarHBondContact O-CB 3.32Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 IonicContact OE1-CZ 3.35Å; E52-R55 IonicContact OE1-NE 2.7Å; E52-R55 IonicContact OE1-NH2 3.19Å; E52-R55 PolarHBondContact OE1-NH2 3.08Å; E52-R55 IonicContact OE2-CZ 2.85Å; E52-R55 IonicContact OE2-NE 2.71Å; E52-R55 PolarHBondContact OE2-NE 3.44Å; E52-R55 IonicContact OE2-NH2 3.57Å; E52-R55 PolarHBondContact OE2-NH2 3.21Å; A53-R55 VanDerWaalsContact C-N 3.34Å; A53-R55 PolarHBondContact O-N 2.82Å; R55-K58 WeakPolarHBondContact O-CB 3.1Å; R55-K58 PolarHBondContact O-N 3.02Å; R55-F59 HydrophobicContact CG-CE2 4.48Å; R55-F59 WeakPolarHBondContact O-CD2 3.48Å; R55-F59 WeakPolarHBondContact O-CE2 3.47Å; R55-I67 HydrophobicContact CB-CD1 4.07Å
56R97.6Very high95.8Very high164 Ų164100.6 Ų100.662%0.61947%0.473SS*.Hα-helixtrans-65.1-43.7174.8-69.3177.5-176-162.5-0.6111.8E52 A53 K58 F59E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.29Å; E52-R56 IonicContact OE1-CZ 3.99Å; E52-R56 IonicContact OE1-NE 3.56Å; E52-R56 PolarHBondContact OE1-NE 3.12Å; E52-R56 IonicContact OE1-NH2 3.64Å; A53-R56 PolarHBondContact O-N 2.91Å; R56-K58 VanDerWaalsContact C-N 3.3Å; R56-K58 PolarHBondContact O-N 3.45Å; R56-F59 PolarHBondContact O-N 3.06Å
57A96.5Very high95.8Very high26 Ų26100.4 Ų100.422%0.21547%0.472CS..Hα-helixtrans-64-35.2177.900000112.6M38 A53 L54 F59 K60 F61M38-A57 HydrophobicContact CE-CB 3.64Å; A53-A57 WeakPolarHBondContact O-CB 2.92Å; A53-A57 PolarHBondContact O-N 3.45Å; L54-A57 PolarHBondContact O-N 3.39Å; A57-F59 PolarHBondContact O-N 3.23Å; A57-F59 VanDerWaalsContact O-N 3.16Å; A57-K60 WeakPolarHBondContact O-CB 3.47Å; A57-K60 PolarHBondContact O-N 2.75Å; A57-F61 WeakPolarHBondContact O-CD2 3.45Å
58K95.3Very high95.8Very high80 Ų80102.4 Ų102.435%0.34848%0.483SS..Hα-helixtrans-51.7-37.9175.2179.8173.778.4178.10112.7L54 R55 R56 K60 F61 Q65L54-K58 WeakPolarHBondContact O-CB 3.45Å; L54-K58 PolarHBondContact O-N 2.85Å; R55-K58 WeakPolarHBondContact O-CB 3.1Å; R55-K58 PolarHBondContact O-N 3.02Å; R56-K58 VanDerWaalsContact C-N 3.3Å; R56-K58 PolarHBondContact O-N 3.45Å; K58-K60 PolarHBondContact O-N 2.92Å; K58-K60 VanDerWaalsContact O-N 3.16Å; K58-F61 PolarHBondContact O-N 3.44Å; K58-F61 VanDerWaalsContact O-N 3.1Å; K58-Q65 HydrophobicContact CD-CB 4.1Å; K58-Q65 WeakPolarHBondContact CD-O 3.31Å; K58-Q65 HydrophobicContact CG-CB 3.95Å
59F95.3Very high95.7Very high144 Ų14499.7 Ų99.763%0.63247%0.472SS*.THydrogen-bonded Turntrans-65.4-16.2178.7-70.5-78000114.2R55 R56 A57R55-F59 HydrophobicContact CG-CE2 4.48Å; R55-F59 WeakPolarHBondContact O-CD2 3.48Å; R55-F59 WeakPolarHBondContact O-CE2 3.47Å; R56-F59 PolarHBondContact O-N 3.06Å; A57-F59 PolarHBondContact O-N 3.23Å; A57-F59 VanDerWaalsContact O-N 3.16Å
60K93.6Very high95.6Very high181 Ų18196.1 Ų96.179%0.78746%0.462SS*.THydrogen-bonded Turntrans-90.3-13.1177-54.2-55.9-177.4-179.10112.8A57 K58A57-K60 WeakPolarHBondContact O-CB 3.47Å; A57-K60 PolarHBondContact O-N 2.75Å; K58-K60 PolarHBondContact O-N 2.92Å; K58-K60 VanDerWaalsContact O-N 3.16Å
61F91.9Very high95.5Very high72 Ų72103 Ų10332%0.31649%0.49SS..SBendtrans-97.7142.1178.8-70.6-74.9000111.8I37 M38 A57 K58 Q65I37-F61 HydrophobicContact CG2-CE1 3.96Å; I37-F61 HydrophobicContact CG2-CZ 3.98Å; M38-F61 HydrophobicContact CE-CE2 3.84Å; M38-F61 HydrophobicContact CE-CZ 4.42Å; M38-F61 HydrophobicContact SD-CE2 4.19Å; M38-F61 HydrophobicContact SD-CZ 4.19Å; A57-F61 WeakPolarHBondContact O-CD2 3.45Å; K58-F61 PolarHBondContact O-N 3.44Å; K58-F61 VanDerWaalsContact O-N 3.1Å; F61-Q65 HydrophobicContact CB-CG 4.25Å
62P91.1Very high95.5Very high88 Ų88104.5 Ų104.557%0.57149%0.494SS*.SBendtrans-72142.2175.129.9-34.1000110.9Q65P62-Q65 PolarHBondContact O-NE2 3.44Å
63G91.5Very high95.4Very high42 Ų42106.5 Ų106.543%0.43350%0.499SS..SBendtrans89.6-155.8175.300000113.7Q65G63-Q65 PolarHBondContact O-OE1 3.5Å
64R93.6Very high95.2Very high252 Ų252105.7 Ų105.795%0.95150%0.496SS*.  trans-110.6118.2-178.5-66.6-178.1179.4-179.2-0.2109.4
65Q96Very high95.1Very high46 Ų46109.3 Ų109.322%0.21551%0.511CS..  trans-105.4147.8172.5-6263.838.600110.4I37 K58 F61 P62 G63I37-Q65 HydrophobicContact CD1-CG 4.33Å; K58-Q65 HydrophobicContact CD-CB 4.1Å; K58-Q65 WeakPolarHBondContact CD-O 3.31Å; K58-Q65 HydrophobicContact CG-CB 3.95Å; F61-Q65 HydrophobicContact CB-CG 4.25Å; P62-Q65 PolarHBondContact O-NE2 3.44Å; G63-Q65 PolarHBondContact O-OE1 3.5Å
66K95.8Very high95.1Very high206 Ų206105.2 Ų105.290%0.89650%0.497SS*.  trans-107.8137.6173.5-66.3-176.5179-178.50109.1
67I96.6Very high94.9Very high66 Ų66104 Ų10434%0.33850%0.497SS..  trans-93.9130.6169.9-57.8171.2000106.2L54 R55L54-I67 HydrophobicContact CB-CD1 3.86Å; L54-I67 HydrophobicContact CB-CG1 4.06Å; L54-I67 HydrophobicContact CB-CG2 4.36Å; L54-I67 HydrophobicContact CD1-CG2 3.98Å; R55-I67 HydrophobicContact CB-CD1 4.07Å
68H95.4Very high94.9Very high155 Ų155104.3 Ų104.372%0.71849%0.493SS*.  trans-132.3132.8-178.5176.867000109.5
69I95.9Very high95Very high99 Ų99103.4 Ų103.451%0.50849%0.492SS..  trans-90114.7171.4-60.1156.8000106.7K47 I51K47-I69 VanDerWaalsContact CE-CD1 3.5Å; I51-I69 HydrophobicContact CD1-CD1 4.23Å
70S96Very high95Very high62 Ų6298.4 Ų98.443%0.43448%0.477SS..  trans-67.5143.9177.6-174.70000110.9K72S70-K72 WeakPolarHBondContact OG-CB 3.31Å; S70-K72 PolarHBondContact OG-N 2.73Å
71K96.2Very high95.1Very high173 Ų17395.3 Ų95.375%0.75247%0.469SS*.SBendtrans-79.4-8.6167.1-62.2-175.3178.3-173.80112.9A80K71-A80 WeakPolarHBondContact O-CB 3.22Å; K71-A80 PolarHBondContact O-N 3.44Å
72K96.4Very high95.3Very high94 Ų9496.6 Ų96.641%0.40948%0.477SS..BIsolated β-bridgetrans-79.5154.7-177.9-59.3-173176.3-164.80112.3S70 G74 T76 K77 F78S70-K72 WeakPolarHBondContact OG-CB 3.31Å; S70-K72 PolarHBondContact OG-N 2.73Å; K72-G74 PolarHBondContact O-N 3.47Å; K72-T76 WeakPolarHBondContact CD-O 3.35Å; K72-K77 WeakPolarHBondContact CE-O 3.39Å; K72-K77 PolarHBondContact NZ-O 3.22Å; K72-F78 CarbonylContact C-O 3.43Å; K72-F78 WeakPolarHBondContact CA-O 3.47Å; K72-F78 WeakPolarHBondContact CB-O 3.43Å
73W95.8Very high95.5Very high99 Ų9993.4 Ų93.438%0.37545%0.454SS..SBendtrans-72.490.4172.5-168-93.6000110.9F75 T76 F78 A80 F83W73-F75 PolarHBondContact O-N 2.93Å; W73-T76 WeakPolarHBondContact O-CB 3.5Å; W73-T76 WeakPolarHBondContact O-CG2 3.38Å; W73-T76 PolarHBondContact O-N 2.97Å; W73-T76 PolarHBondContact O-OG1 3.34Å; W73-F78 PolarHBondContact N-O 3.35Å; W73-A80 HydrophobicContact CE3-CB 3.85Å; W73-F83 HydrophobicContact CB-CB 3.99Å; W73-F83 HydrophobicContact CB-CD1 4.35Å; W73-F83 HydrophobicContact CB-CD2 3.69Å; W73-F83 HydrophobicContact CB-CE2 4.22Å; W73-F83 HydrophobicContact CB-CG 3.75Å; W73-F83 AromaticContact CD1-CD1 3.75Å; W73-F83 AromaticContact CD1-CD2 3.99Å; W73-F83 AromaticContact CD1-CE1 3.55Å; W73-F83 AromaticContact CD1-CE2 3.78Å; W73-F83 AromaticContact CD1-CG 3.96Å; W73-F83 AromaticContact CD1-CZ 3.54Å; W73-F83 HydrophobicContact CD2-CB 4.2Å; W73-F83 AromaticContact CD2-CD1 3.68Å; W73-F83 HydrophobicContact CD2-CD1 3.68Å; W73-F83 HydrophobicContact CD2-CE1 4.16Å; W73-F83 AromaticContact CD2-CG 3.91Å; W73-F83 HydrophobicContact CD2-CG 3.91Å; W73-F83 AromaticContact CE2-CD1 3.76Å; W73-F83 AromaticContact CE2-CE1 3.87Å; W73-F83 HydrophobicContact CE3-CB 4.17Å; W73-F83 HydrophobicContact CE3-CD1 4.23Å; W73-F83 HydrophobicContact CE3-CG 4.36Å; W73-F83 HydrophobicContact CG-CB 4.14Å; W73-F83 AromaticContact CG-CD1 3.7Å; W73-F83 HydrophobicContact CG-CD1 3.7Å; W73-F83 AromaticContact CG-CD2 3.84Å; W73-F83 HydrophobicContact CG-CD2 3.84Å; W73-F83 AromaticContact CG-CE1 3.99Å; W73-F83 HydrophobicContact CG-CE1 3.99Å; W73-F83 HydrophobicContact CG-CE2 4.11Å; W73-F83 AromaticContact CG-CG 3.61Å; W73-F83 HydrophobicContact CG-CG 3.61Å; W73-F83 HydrophobicContact CG-CZ 4.17Å; W73-F83 HydrophobicContact CZ2-CD1 4.37Å; W73-F83 AromaticContact NE1-CD1 3.79Å; W73-F83 AromaticContact NE1-CE1 3.46Å; W73-F83 AromaticContact NE1-CZ 3.85Å
74G94.6Very high95.7Very high33 Ų3397.4 Ų97.434%0.3446%0.461SS..THydrogen-bonded Turntrans58.5-120.3176.900000113.3K72 T76K72-G74 PolarHBondContact O-N 3.47Å; G74-T76 VanDerWaalsContact C-N 3.33Å
75F95.8Very high95.8Very high109 Ų10990.4 Ų90.448%0.47844%0.442SS..THydrogen-bonded Turntrans-9515.4-179.4-59.4-26.1000113.4S39 R41 W73S39-F75 WeakPolarHBondContact OG-CE1 3.37Å; R41-F75 HydrophobicContact CB-CD1 4.15Å; R41-F75 HydrophobicContact CB-CD2 4.32Å; R41-F75 HydrophobicContact CB-CE1 3.74Å; R41-F75 HydrophobicContact CB-CE2 3.95Å; R41-F75 HydrophobicContact CB-CG 4.43Å; R41-F75 HydrophobicContact CB-CZ 3.64Å; W73-F75 PolarHBondContact O-N 2.93Å
76T95.9Very high95.7Very high18 Ų1889.2 Ų89.211%0.1144%0.437CS..SBendtrans-91169.817675.80000110.9K72 W73 G74 F83 V99K72-T76 WeakPolarHBondContact CD-O 3.35Å; W73-T76 WeakPolarHBondContact O-CB 3.5Å; W73-T76 WeakPolarHBondContact O-CG2 3.38Å; W73-T76 PolarHBondContact O-N 2.97Å; W73-T76 PolarHBondContact O-OG1 3.34Å; G74-T76 VanDerWaalsContact C-N 3.33Å; T76-F83 HydrophobicContact CG2-CE2 4.02Å; T76-V99 HydrophobicContact CG2-CG1 4.4Å; T76-V99 HydrophobicContact CG2-CG2 3.81Å
77K94.8Very high95.7Very high139 Ų13982 Ų8260%0.60441%0.411SS*.SBendtrans-86.6-13176.562.1-177.1179.3179.90113.7K72K72-K77 WeakPolarHBondContact CE-O 3.39Å; K72-K77 PolarHBondContact NZ-O 3.22Å
78F95.9Very high95.5Very high32 Ų3282.9 Ų82.914%0.1443%0.428CS..SBendtrans-88.3152-173.2-55.9-75000111.5K72 W73 F83 M86 L92 V99 Y101K72-F78 CarbonylContact C-O 3.43Å; K72-F78 WeakPolarHBondContact CA-O 3.47Å; K72-F78 WeakPolarHBondContact CB-O 3.43Å; W73-F78 PolarHBondContact N-O 3.35Å; F78-F83 HydrophobicContact CB-CD2 4.16Å; F78-M86 HydrophobicContact CD1-CE 4.15Å; F78-M86 HydrophobicContact CD1-SD 3.84Å; F78-M86 HydrophobicContact CE1-CE 3.94Å; F78-M86 HydrophobicContact CE1-SD 4.26Å; F78-M86 HydrophobicContact CG-SD 4.46Å; F78-L92 HydrophobicContact CD2-CD1 3.85Å; F78-L92 HydrophobicContact CD2-CD2 3.92Å; F78-L92 HydrophobicContact CE1-CD2 4.15Å; F78-L92 HydrophobicContact CE2-CD1 4.15Å; F78-L92 HydrophobicContact CE2-CD2 3.32Å; F78-L92 HydrophobicContact CE2-CG 4.4Å; F78-L92 HydrophobicContact CG-CD1 4.11Å; F78-L92 HydrophobicContact CZ-CD2 3.46Å; F78-L92 VanDerWaalsContact CZ-CD2 3.46Å; F78-V99 HydrophobicContact CD2-CG2 3.92Å; F78-V99 HydrophobicContact CE2-CG2 3.73Å; F78-Y101 HydrophobicContact CE1-CD2 4.28Å; F78-Y101 HydrophobicContact CZ-CD2 4.02Å; F78-Y101 HydrophobicContact CZ-CG 4.27Å
79N96.8Very high95.4Very high61 Ų6180.6 Ų80.633%0.32642%0.417SS..BIsolated β-bridgetrans-71.9154.7175.3-62.3-33.5000110.6D81 F83N79-D81 WeakPolarHBondContact CB-OD1 3.46Å; N79-F83 WeakPolarHBondContact O-CB 3.12Å; N79-F83 PolarHBondContact O-N 3.23Å
80A95.6Very high95.2Very high39 Ų3980 Ų8032%0.32241%0.411SS..THydrogen-bonded Turntrans-75.5-25.2-174.900000113.8K71 W73K71-A80 WeakPolarHBondContact O-CB 3.22Å; K71-A80 PolarHBondContact O-N 3.44Å; W73-A80 HydrophobicContact CE3-CB 3.85Å
81D95.9Very high95Very high116 Ų11681.4 Ų81.462%0.6241%0.407SS*.THydrogen-bonded Turntrans-69.2-44.8175.848.3-5.3000112.3N79N79-D81 WeakPolarHBondContact CB-OD1 3.46Å
82E95.9Very high95Very high100 Ų10073.3 Ų73.347%0.46737%0.371SS..THydrogen-bonded Turntrans-86.5-12.1-177.6-63.3169.3-17100113.6E84 D85 M86E82-E84 PolarHBondContact O-N 2.87Å; E82-D85 PolarHBondContact O-N 3.4Å; E82-M86 VanDerWaalsContact O-CG 3.31Å; E82-M86 WeakPolarHBondContact O-CG 3.4Å; E82-M86 PolarHBondContact O-N 3.14Å
83F95.4Very high94.8Very high20 Ų2071.8 Ų71.89%0.08837%0.367CS..Hα-helixtrans-64.3-43.4-168.5-174.6-94000112.8W73 T76 F78 N79 M86 V87 L92 V99W73-F83 HydrophobicContact CB-CB 3.99Å; W73-F83 HydrophobicContact CB-CD1 4.35Å; W73-F83 HydrophobicContact CB-CD2 3.69Å; W73-F83 HydrophobicContact CB-CE2 4.22Å; W73-F83 HydrophobicContact CB-CG 3.75Å; W73-F83 AromaticContact CD1-CD1 3.75Å; W73-F83 AromaticContact CD1-CD2 3.99Å; W73-F83 AromaticContact CD1-CE1 3.55Å; W73-F83 AromaticContact CD1-CE2 3.78Å; W73-F83 AromaticContact CD1-CG 3.96Å; W73-F83 AromaticContact CD1-CZ 3.54Å; W73-F83 HydrophobicContact CD2-CB 4.2Å; W73-F83 AromaticContact CD2-CD1 3.68Å; W73-F83 HydrophobicContact CD2-CD1 3.68Å; W73-F83 HydrophobicContact CD2-CE1 4.16Å; W73-F83 AromaticContact CD2-CG 3.91Å; W73-F83 HydrophobicContact CD2-CG 3.91Å; W73-F83 AromaticContact CE2-CD1 3.76Å; W73-F83 AromaticContact CE2-CE1 3.87Å; W73-F83 HydrophobicContact CE3-CB 4.17Å; W73-F83 HydrophobicContact CE3-CD1 4.23Å; W73-F83 HydrophobicContact CE3-CG 4.36Å; W73-F83 HydrophobicContact CG-CB 4.14Å; W73-F83 AromaticContact CG-CD1 3.7Å; W73-F83 HydrophobicContact CG-CD1 3.7Å; W73-F83 AromaticContact CG-CD2 3.84Å; W73-F83 HydrophobicContact CG-CD2 3.84Å; W73-F83 AromaticContact CG-CE1 3.99Å; W73-F83 HydrophobicContact CG-CE1 3.99Å; W73-F83 HydrophobicContact CG-CE2 4.11Å; W73-F83 AromaticContact CG-CG 3.61Å; W73-F83 HydrophobicContact CG-CG 3.61Å; W73-F83 HydrophobicContact CG-CZ 4.17Å; W73-F83 HydrophobicContact CZ2-CD1 4.37Å; W73-F83 AromaticContact NE1-CD1 3.79Å; W73-F83 AromaticContact NE1-CE1 3.46Å; W73-F83 AromaticContact NE1-CZ 3.85Å; T76-F83 HydrophobicContact CG2-CE2 4.02Å; F78-F83 HydrophobicContact CB-CD2 4.16Å; N79-F83 WeakPolarHBondContact O-CB 3.12Å; N79-F83 PolarHBondContact O-N 3.23Å; F83-M86 PolarHBondContact O-N 3.06Å; F83-V87 HydrophobicContact CD1-CG2 4.16Å; F83-V87 HydrophobicContact CE1-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 4.16Å; F83-V87 VanDerWaalsContact O-CG2 3.31Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.05Å; F83-V87 VanDerWaalsContact O-N 3.08Å; F83-L92 HydrophobicContact CD2-CD1 3.71Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CG-CD1 4.49Å; F83-V99 HydrophobicContact CE2-CG1 3.73Å; F83-V99 HydrophobicContact CE2-CG2 4.18Å; F83-V99 HydrophobicContact CZ-CG1 3.53Å
84E94.9Very high94.8Very high126 Ų12671.7 Ų71.759%0.58938%0.379SS*.Hα-helixtrans-66.8-43.2-177.5-65-177.8170.400110.8E82 M86 V87 A88E82-E84 PolarHBondContact O-N 2.87Å; E84-M86 PolarHBondContact O-N 3.23Å; E84-V87 PolarHBondContact O-N 3.39Å; E84-A88 PolarHBondContact O-N 3.02Å
85D96.2Very high94.8Very high105 Ų10573.6 Ų73.656%0.56138%0.382SS*.Hα-helixtrans-61.3-45.9175.3-64.2-21.5000111.4E82 V87 A88 E89E82-D85 PolarHBondContact O-N 3.4Å; D85-V87 VanDerWaalsContact C-N 3.26Å; D85-V87 PolarHBondContact O-N 3.19Å; D85-A88 WeakPolarHBondContact O-CB 3.35Å; D85-A88 PolarHBondContact O-N 3.14Å; D85-A88 VanDerWaalsContact O-N 3.12Å; D85-E89 WeakPolarHBondContact O-CB 3.34Å; D85-E89 WeakPolarHBondContact O-CG 3.41Å; D85-E89 PolarHBondContact O-N 2.79Å
86M94.9Very high94.7Very high21 Ų2172.1 Ų72.110%0.10340%0.397CS..Hα-helixtrans-64.4-29.1178-72-170.977.100113.5F78 E82 F83 E84 R91 L92 Y101F78-M86 HydrophobicContact CD1-CE 4.15Å; F78-M86 HydrophobicContact CD1-SD 3.84Å; F78-M86 HydrophobicContact CE1-CE 3.94Å; F78-M86 HydrophobicContact CE1-SD 4.26Å; F78-M86 HydrophobicContact CG-SD 4.46Å; E82-M86 VanDerWaalsContact O-CG 3.31Å; E82-M86 WeakPolarHBondContact O-CG 3.4Å; E82-M86 PolarHBondContact O-N 3.14Å; F83-M86 PolarHBondContact O-N 3.06Å; E84-M86 PolarHBondContact O-N 3.23Å; M86-R91 HydrophobicContact CE-CB 4.3Å; M86-R91 WeakPolarHBondContact O-CA 3.5Å; M86-R91 WeakPolarHBondContact O-CB 3.42Å; M86-R91 PolarHBondContact O-N 3.16Å; M86-L92 HydrophobicContact CB-CD1 3.63Å; M86-L92 HydrophobicContact CB-CG 3.84Å; M86-L92 HydrophobicContact CE-CD1 4.33Å; M86-L92 HydrophobicContact CE-CD2 4.24Å; M86-L92 HydrophobicContact CE-CG 4.11Å; M86-L92 HydrophobicContact CG-CD1 4.48Å; M86-L92 PolarHBondContact O-N 3.41Å; M86-L92 VanDerWaalsContact O-N 3.07Å; M86-L92 HydrophobicContact SD-CD1 4.09Å; M86-L92 HydrophobicContact SD-CG 4.49Å; M86-Y101 HydrophobicContact CE-CD2 4.08Å; M86-Y101 HydrophobicContact CE-CE2 3.85Å
87V94.4Very high94.5Very high56 Ų5675.1 Ų75.134%0.33942%0.418SS..Hα-helixtrans-74.1-42.5172.7171.60000110.2F83 E84 D85 E89 K90 L92F83-V87 HydrophobicContact CD1-CG2 4.16Å; F83-V87 HydrophobicContact CE1-CG2 3.83Å; F83-V87 HydrophobicContact CZ-CG2 4.16Å; F83-V87 VanDerWaalsContact O-CG2 3.31Å; F83-V87 WeakPolarHBondContact O-CG2 3.27Å; F83-V87 PolarHBondContact O-N 3.05Å; F83-V87 VanDerWaalsContact O-N 3.08Å; E84-V87 PolarHBondContact O-N 3.39Å; D85-V87 VanDerWaalsContact C-N 3.26Å; D85-V87 PolarHBondContact O-N 3.19Å; V87-E89 VanDerWaalsContact C-N 3.32Å; V87-E89 PolarHBondContact O-N 3.04Å; V87-K90 WeakPolarHBondContact O-CA 2.88Å; V87-K90 PolarHBondContact O-N 3.16Å; V87-L92 HydrophobicContact CG2-CB 3.81Å; V87-L92 HydrophobicContact CG2-CD1 4.4Å
88A93.8Very high94.5Very high84 Ų8470 Ų7069%0.69441%0.405SS*.Hα-helixtrans-61.4-40176.300000112.1E84 D85 K90E84-A88 PolarHBondContact O-N 3.02Å; D85-A88 WeakPolarHBondContact O-CB 3.35Å; D85-A88 PolarHBondContact O-N 3.14Å; D85-A88 VanDerWaalsContact O-N 3.12Å; A88-K90 PolarHBondContact O-N 2.91Å; A88-K90 VanDerWaalsContact O-N 3.13Å
89E92.1Very high94.5Very high107 Ų10770 Ų7050%0.541%0.407SS..THydrogen-bonded Turntrans-70.61.9172.9-69.2-179.4179.400113.8D85 V87 R91D85-E89 WeakPolarHBondContact O-CB 3.34Å; D85-E89 WeakPolarHBondContact O-CG 3.41Å; D85-E89 PolarHBondContact O-N 2.79Å; V87-E89 VanDerWaalsContact C-N 3.32Å; V87-E89 PolarHBondContact O-N 3.04Å; E89-R91 HydrophobicContact CB-CG 3.98Å; E89-R91 PolarHBondContact O-N 3.27Å; E89-R91 VanDerWaalsContact O-N 3.09Å; E89-R91 WeakPolarHBondContact OE2-CD 3.36Å; E89-R91 IonicContact OE2-NH1 3.61Å
90K92Very high94.4Very high85 Ų8573 Ų7337%0.3742%0.418SS..THydrogen-bonded Turntrans54.424.2-173.3-58.8-178.9172.6-179.70113.6V87 A88 I102 L114V87-K90 WeakPolarHBondContact O-CA 2.88Å; V87-K90 PolarHBondContact O-N 3.16Å; A88-K90 PolarHBondContact O-N 2.91Å; A88-K90 VanDerWaalsContact O-N 3.13Å; K90-I102 WeakPolarHBondContact O-CD1 3.47Å; K90-L114 HydrophobicContact CB-CD2 3.73Å; K90-L114 HydrophobicContact CD-CD2 4.38Å; K90-L114 WeakPolarHBondContact CD-O 3.34Å; K90-L114 PolarHBondContact NZ-O 3.4Å; K90-L114 WeakPolarHBondContact O-CD2 3.33Å
91R92.3Very high94.3Very high92 Ų9275.7 Ų75.735%0.34742%0.42SS..SBendtrans-81.9-21.4173.6-64.9-174.969.8-176.9-0.7112.5M86 E89 Y101 I102M86-R91 HydrophobicContact CE-CB 4.3Å; M86-R91 WeakPolarHBondContact O-CA 3.5Å; M86-R91 WeakPolarHBondContact O-CB 3.42Å; M86-R91 PolarHBondContact O-N 3.16Å; E89-R91 HydrophobicContact CB-CG 3.98Å; E89-R91 PolarHBondContact O-N 3.27Å; E89-R91 VanDerWaalsContact O-N 3.09Å; E89-R91 WeakPolarHBondContact OE2-CD 3.36Å; E89-R91 IonicContact OE2-NH1 3.61Å; R91-Y101 PolarHBondContact NH2-OH 2.89Å; R91-I102 PolarHBondContact O-N 3.45Å
92L95.4Very high94.2Very high3 Ų372.1 Ų72.12%0.01640%0.4CS..EExtended strand (participates in β ladder)trans-118.2128.8171.4-63.5178.5000110.3F78 F83 M86 V87 V99 K100 Y101F78-L92 HydrophobicContact CD2-CD1 3.85Å; F78-L92 HydrophobicContact CD2-CD2 3.92Å; F78-L92 HydrophobicContact CE1-CD2 4.15Å; F78-L92 HydrophobicContact CE2-CD1 4.15Å; F78-L92 HydrophobicContact CE2-CD2 3.32Å; F78-L92 HydrophobicContact CE2-CG 4.4Å; F78-L92 HydrophobicContact CG-CD1 4.11Å; F78-L92 HydrophobicContact CZ-CD2 3.46Å; F78-L92 VanDerWaalsContact CZ-CD2 3.46Å; F83-L92 HydrophobicContact CD2-CD1 3.71Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CG-CD1 4.49Å; M86-L92 HydrophobicContact CB-CD1 3.63Å; M86-L92 HydrophobicContact CB-CG 3.84Å; M86-L92 HydrophobicContact CE-CD1 4.33Å; M86-L92 HydrophobicContact CE-CD2 4.24Å; M86-L92 HydrophobicContact CE-CG 4.11Å; M86-L92 HydrophobicContact CG-CD1 4.48Å; M86-L92 PolarHBondContact O-N 3.41Å; M86-L92 VanDerWaalsContact O-N 3.07Å; M86-L92 HydrophobicContact SD-CD1 4.09Å; M86-L92 HydrophobicContact SD-CG 4.49Å; V87-L92 HydrophobicContact CG2-CB 3.81Å; V87-L92 HydrophobicContact CG2-CD1 4.4Å; L92-V99 HydrophobicContact CD2-CG2 4.19Å; L92-K100 WeakPolarHBondContact CA-O 3.17Å; L92-Y101 HydrophobicContact CD2-CD2 4Å
93I93.5Very high94Very high63 Ų6370.6 Ų70.632%0.32340%0.399SS..EExtended strand (participates in β ladder)trans-111.5128.9172-63.1167.3000108.6D95 V99 K100 I102 L114I93-D95 PolarHBondContact O-N 3.44Å; I93-V99 CarbonylContact O-C 3.59Å; I93-V99 WeakPolarHBondContact O-CA 3.44Å; I93-K100 PolarHBondContact N-O 3.19Å; I93-K100 PolarHBondContact O-N 3.49Å; I93-I102 HydrophobicContact CD1-CD1 3.29Å; I93-I102 HydrophobicContact CD1-CG1 3.9Å; I93-I102 HydrophobicContact CG1-CD1 3.68Å; I93-I102 HydrophobicContact CG1-CG1 4.23Å; I93-L114 HydrophobicContact CD1-CD1 3.52Å; I93-L114 HydrophobicContact CG1-CD1 4.5Å
94P94.6Very high93.8Very high96 Ų9674.5 Ų74.562%0.62343%0.429SS*.EExtended strand (participates in β ladder)trans-65.5128.1172.727.2-33.1000110.8
95D94.2Very high93.7Very high73 Ų7380 Ų8039%0.3944%0.444SS..EExtended strand (participates in β ladder)trans-12051175.970-19.8000111.2I93 C97 G98 V99 K100I93-D95 PolarHBondContact O-N 3.44Å; D95-C97 PolarHBondContact O-N 3.4Å; D95-G98 PolarHBondContact N-O 2.91Å; D95-G98 VanDerWaalsContact OD1-CA 3.25Å; D95-G98 WeakPolarHBondContact OD1-CA 3.41Å; D95-G98 VanDerWaalsContact OD1-O 3.09Å; D95-V99 WeakPolarHBondContact OD1-CA 3.33Å; D95-V99 PolarHBondContact OD1-N 2.94Å; D95-K100 HydrophobicContact CB-CD 4.09Å; D95-K100 HydrophobicContact CB-CG 3.97Å; D95-K100 WeakPolarHBondContact OD2-CE 3.38Å; D95-K100 VanDerWaalsContact OD2-CG 3.24Å; D95-K100 WeakPolarHBondContact OD2-CG 3.47Å
96G93.4Very high93.5Very high78 Ų7877.1 Ų77.180%0.80444%0.44SS*.THydrogen-bonded Turntrans83.9-107.9-176.300000111.3
97C92.7Very high93.5Very high81 Ų8179.7 Ų79.755%0.54746%0.458SS..THydrogen-bonded Turntrans-75.4-29.8-177.7-172.80000112.7R41 D95R41-C97 PolarHBondContact NH1-O 3.31Å; R41-C97 PolarHBondContact NH2-SG 2.94Å; D95-C97 PolarHBondContact O-N 3.4Å
98G94.6Very high93.4Very high32 Ų3282.7 Ų82.733%0.3347%0.471SS..EExtended strand (participates in β ladder)trans-105.4-161.3-175.200000113.6D95D95-G98 PolarHBondContact N-O 2.91Å; D95-G98 VanDerWaalsContact OD1-CA 3.25Å; D95-G98 WeakPolarHBondContact OD1-CA 3.41Å; D95-G98 VanDerWaalsContact OD1-O 3.09Å
99V96Very high93.5Very high31 Ų3184.4 Ų84.419%0.18847%0.469CS..EExtended strand (participates in β ladder)trans-138.2145.8168-67.90000110.7T76 F78 F83 L92 I93 D95T76-V99 HydrophobicContact CG2-CG1 4.4Å; T76-V99 HydrophobicContact CG2-CG2 3.81Å; F78-V99 HydrophobicContact CD2-CG2 3.92Å; F78-V99 HydrophobicContact CE2-CG2 3.73Å; F83-V99 HydrophobicContact CE2-CG1 3.73Å; F83-V99 HydrophobicContact CE2-CG2 4.18Å; F83-V99 HydrophobicContact CZ-CG1 3.53Å; L92-V99 HydrophobicContact CD2-CG2 4.19Å; I93-V99 CarbonylContact O-C 3.59Å; I93-V99 WeakPolarHBondContact O-CA 3.44Å; D95-V99 WeakPolarHBondContact OD1-CA 3.33Å; D95-V99 PolarHBondContact OD1-N 2.94Å
100K94.5Very high93.4Very high126 Ų12686.9 Ų86.955%0.54848%0.478SS..EExtended strand (participates in β ladder)trans-94.7128.9166.6-67.9178.8-177.8171.40109.6L92 I93 D95L92-K100 WeakPolarHBondContact CA-O 3.17Å; I93-K100 PolarHBondContact N-O 3.19Å; I93-K100 PolarHBondContact O-N 3.49Å; D95-K100 HydrophobicContact CB-CD 4.09Å; D95-K100 HydrophobicContact CB-CG 3.97Å; D95-K100 WeakPolarHBondContact OD2-CE 3.38Å; D95-K100 VanDerWaalsContact OD2-CG 3.24Å; D95-K100 WeakPolarHBondContact OD2-CG 3.47Å
101Y94.6Very high93.4Very high94 Ų9489 Ų8937%0.36948%0.484SS..EExtended strand (participates in β ladder)trans-85129.1170.8177.2-110.2000110.3F78 M86 R91 L92 P103F78-Y101 HydrophobicContact CE1-CD2 4.28Å; F78-Y101 HydrophobicContact CZ-CD2 4.02Å; F78-Y101 HydrophobicContact CZ-CG 4.27Å; M86-Y101 HydrophobicContact CE-CD2 4.08Å; M86-Y101 HydrophobicContact CE-CE2 3.85Å; R91-Y101 PolarHBondContact NH2-OH 2.89Å; L92-Y101 HydrophobicContact CD2-CD2 4Å; Y101-P103 HydrophobicContact CE1-CB 4.06Å; Y101-P103 WeakPolarHBondContact O-CD 3.41Å
102I92.8Very high93.3Very high41 Ų4192.2 Ų92.221%0.2150%0.496CS..  trans-97.9112.5174.7-49.1-179.9000109.1K90 R91 I93 L114K90-I102 WeakPolarHBondContact O-CD1 3.47Å; R91-I102 PolarHBondContact O-N 3.45Å; I93-I102 HydrophobicContact CD1-CD1 3.29Å; I93-I102 HydrophobicContact CD1-CG1 3.9Å; I93-I102 HydrophobicContact CG1-CD1 3.68Å; I93-I102 HydrophobicContact CG1-CG1 4.23Å; I102-L114 HydrophobicContact CD1-CD1 3.83Å; I102-L114 HydrophobicContact CD1-CD2 3.22Å; I102-L114 HydrophobicContact CD1-CG 4.12Å
103P92.6Very high93.1Very high68 Ų6895.6 Ų95.644%0.44252%0.524SS..  trans-79.1146.3173.332.2-33.4000111.1Y101 R105Y101-P103 HydrophobicContact CE1-CB 4.06Å; Y101-P103 WeakPolarHBondContact O-CD 3.41Å; P103-R105 PolarHBondContact O-N 3.4Å
104S90.8Very high92.8Very high102 Ų10294.7 Ų94.771%0.71352%0.52SS*.THydrogen-bonded Turntrans-74.825.6172.5-41.80000113.8
105R92.7Very high92.5Very high241 Ų24193.8 Ų93.891%0.90951%0.507SS*.THydrogen-bonded Turntrans-126.818.1-176.4-60.4-175.8-175.9174.40.3112.7P103P103-R105 PolarHBondContact O-N 3.4Å
106G90.9Very high92Very high45 Ų4596.6 Ų96.646%0.46453%0.532SS..SBendtrans-91.1176.8176.400000113L108G106-L108 PolarHBondContact O-N 3.31Å
107P95.2Very high91.9Very high75 Ų7597.6 Ų97.649%0.48752%0.519SS..  trans-55.2135.9171.4-24.433.7000112.2D109 K110 W111P107-D109 VanDerWaalsContact C-N 3.25Å; P107-D109 PolarHBondContact O-N 2.96Å; P107-K110 HydrophobicContact CB-CG 4.42Å; P107-K110 HydrophobicContact CG-CD 4.32Å; P107-K110 PolarHBondContact O-N 3.23Å; P107-K110 VanDerWaalsContact O-N 3.14Å; P107-W111 PolarHBondContact O-N 2.94Å
108L93.4Very high91.9Very high119 Ų11998.4 Ų98.462%0.62352%0.517SS*.Hα-helixtrans-59.1-34.9-179.5-82.8156.9000112.6G106 K110 W111 R112G106-L108 PolarHBondContact O-N 3.31Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.1Å; L108-W111 WeakPolarHBondContact O-CB 3.43Å; L108-W111 PolarHBondContact O-N 3.38Å; L108-W111 VanDerWaalsContact O-N 3.11Å; L108-R112 WeakPolarHBondContact O-CG 3.42Å; L108-R112 PolarHBondContact O-N 3.25Å
109D94.4Very high91.8Very high120 Ų120102.1 Ų102.164%0.64253%0.528SS*.Hα-helixtrans-62.4-39178.2-59.2-33.3000112.2P107 W111 R112 A113P107-D109 VanDerWaalsContact C-N 3.25Å; P107-D109 PolarHBondContact O-N 2.96Å; D109-W111 VanDerWaalsContact C-N 3.32Å; D109-W111 PolarHBondContact O-N 3.46Å; D109-R112 PolarHBondContact O-N 3.47Å; D109-A113 WeakPolarHBondContact O-CB 3.43Å; D109-A113 PolarHBondContact O-N 3.03Å
110K91Very high91.5Very high159 Ų159106.3 Ų106.369%0.69155%0.548SS*.Hα-helixtrans-66.8-36.8174.9-69.7-173.8-179.71780111.5P107 L108 L114P107-K110 HydrophobicContact CB-CG 4.42Å; P107-K110 HydrophobicContact CG-CD 4.32Å; P107-K110 PolarHBondContact O-N 3.23Å; P107-K110 VanDerWaalsContact O-N 3.14Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 3.1Å; K110-L114 PolarHBondContact O-N 3.26Å
111W91.2Very high91.3Very high130 Ų130105.1 Ų105.149%0.49255%0.548SS..Hα-helixtrans-66.7-45.8175.3-176.790.4000110.9P107 L108 D109 L114 H115P107-W111 PolarHBondContact O-N 2.94Å; L108-W111 WeakPolarHBondContact O-CB 3.43Å; L108-W111 PolarHBondContact O-N 3.38Å; L108-W111 VanDerWaalsContact O-N 3.11Å; D109-W111 VanDerWaalsContact C-N 3.32Å; D109-W111 PolarHBondContact O-N 3.46Å; W111-L114 WeakPolarHBondContact O-CB 3.33Å; W111-L114 PolarHBondContact O-N 3.21Å; W111-L114 VanDerWaalsContact O-N 3.13Å; W111-H115 AromaticContact CD1-CE1 3.42Å; W111-H115 VanDerWaalsContact CD1-CE1 3.42Å; W111-H115 AromaticContact CD1-ND1 3.69Å; W111-H115 AromaticContact CD2-ND1 3.66Å; W111-H115 AromaticContact CE2-CE1 3.52Å; W111-H115 AromaticContact CE2-CG 3.81Å; W111-H115 AromaticContact CE2-ND1 3.45Å; W111-H115 AromaticContact CE2-NE2 3.86Å; W111-H115 AromaticContact CG-ND1 3.81Å; W111-H115 HydrophobicContact CH2-CB 4.32Å; W111-H115 HydrophobicContact CZ2-CB 4.41Å; W111-H115 AromaticContact CZ2-CD2 3.85Å; W111-H115 AromaticContact CZ2-CG 3.82Å; W111-H115 AromaticContact CZ2-ND1 3.96Å; W111-H115 HydrophobicContact CZ3-CB 4.43Å; W111-H115 AromaticContact NE1-CE1 3.07Å; W111-H115 PolarHBondContact NE1-CE1 3.19Å; W111-H115 AromaticContact NE1-ND1 3.47Å; W111-H115 PolarHBondContact NE1-ND1 2.85Å; W111-H115 AromaticContact NE1-NE2 3.55Å; W111-H115 PolarHBondContact O-N 3.35Å; W111-H115 VanDerWaalsContact O-N 3.09Å; W111-H115 PolarHBondContact O-ND1 3.08Å
112R91.4Very high91.1Very high160 Ų160105.8 Ų105.860%0.60456%0.56SS**Hα-helixtrans-59.9-47.3177.2-71.9177.3-177.5-167.70.9111.9L108 D109 L114 H115 S116L108-R112 WeakPolarHBondContact O-CG 3.42Å; L108-R112 PolarHBondContact O-N 3.25Å; D109-R112 PolarHBondContact O-N 3.47Å; R112-L114 PolarHBondContact O-N 3.1Å; R112-L114 VanDerWaalsContact O-N 3.17Å; R112-H115 PolarHBondContact O-N 3.3Å; R112-H115 VanDerWaalsContact O-N 3.14Å; R112-S116 PolarHBondContact O-N 2.71Å; R112-S116 PolarHBondContact O-OG 2.7Å
113A90.4Very high91Very high73 Ų73110.4 Ų110.460%0.60359%0.585SS**Hα-helixtrans-63-20.7177.800000113.8D109 S116D109-A113 WeakPolarHBondContact O-CB 3.43Å; D109-A113 PolarHBondContact O-N 3.03Å; A113-S116 PolarHBondContact O-OG 3.43Å; A113-S116 VanDerWaalsContact O-OG 3.08Å
114L88.2Confident90.9Very high45 Ų45113.7 Ų113.724%0.23660%0.596CS.*Hα-helixtrans-86.6-33.2176.4-158.295.1000112.8K90 I93 I102 K110 W111 R112K90-L114 HydrophobicContact CB-CD2 3.73Å; K90-L114 HydrophobicContact CD-CD2 4.38Å; K90-L114 WeakPolarHBondContact CD-O 3.34Å; K90-L114 PolarHBondContact NZ-O 3.4Å; K90-L114 WeakPolarHBondContact O-CD2 3.33Å; I93-L114 HydrophobicContact CD1-CD1 3.52Å; I93-L114 HydrophobicContact CG1-CD1 4.5Å; I102-L114 HydrophobicContact CD1-CD1 3.83Å; I102-L114 HydrophobicContact CD1-CD2 3.22Å; I102-L114 HydrophobicContact CD1-CG 4.12Å; K110-L114 PolarHBondContact O-N 3.26Å; W111-L114 WeakPolarHBondContact O-CB 3.33Å; W111-L114 PolarHBondContact O-N 3.21Å; W111-L114 VanDerWaalsContact O-N 3.13Å; R112-L114 PolarHBondContact O-N 3.1Å; R112-L114 VanDerWaalsContact O-N 3.17Å
115H87Confident90.9Very high77 Ų77114.7 Ų114.736%0.35659%0.586SS.*Hα-helixtrans-98.5-7.1-174.5-65.977000113.2W111 R112W111-H115 AromaticContact CD1-CE1 3.42Å; W111-H115 VanDerWaalsContact CD1-CE1 3.42Å; W111-H115 AromaticContact CD1-ND1 3.69Å; W111-H115 AromaticContact CD2-ND1 3.66Å; W111-H115 AromaticContact CE2-CE1 3.52Å; W111-H115 AromaticContact CE2-CG 3.81Å; W111-H115 AromaticContact CE2-ND1 3.45Å; W111-H115 AromaticContact CE2-NE2 3.86Å; W111-H115 AromaticContact CG-ND1 3.81Å; W111-H115 HydrophobicContact CH2-CB 4.32Å; W111-H115 HydrophobicContact CZ2-CB 4.41Å; W111-H115 AromaticContact CZ2-CD2 3.85Å; W111-H115 AromaticContact CZ2-CG 3.82Å; W111-H115 AromaticContact CZ2-ND1 3.96Å; W111-H115 HydrophobicContact CZ3-CB 4.43Å; W111-H115 AromaticContact NE1-CE1 3.07Å; W111-H115 PolarHBondContact NE1-CE1 3.19Å; W111-H115 AromaticContact NE1-ND1 3.47Å; W111-H115 PolarHBondContact NE1-ND1 2.85Å; W111-H115 AromaticContact NE1-NE2 3.55Å; W111-H115 PolarHBondContact O-N 3.35Å; W111-H115 VanDerWaalsContact O-N 3.09Å; W111-H115 PolarHBondContact O-ND1 3.08Å; R112-H115 PolarHBondContact O-N 3.3Å; R112-H115 VanDerWaalsContact O-N 3.14Å
116S84.6Confident90.7Very high132 Ų132103.2 Ų103.292%0.92356%0.557SS**  trans-61.30157.260.40000110.6R112 A113R112-S116 PolarHBondContact O-N 2.71Å; R112-S116 PolarHBondContact O-OG 2.7Å; A113-S116 PolarHBondContact O-OG 3.43Å; A113-S116 VanDerWaalsContact O-OG 3.08Å

Retrieved 116 of 116 residues in 69.3 ms (Link to these results)