A0A096NW49_PAPAN Loading...

Spermatosis associated 7

AlphaFold DB , UniProt , Accession A0A096NW49, Species PAPAN (Papio anubis, Olive baboon), Gene SPATA7, Length 599 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
1M40.6Very low41Very low247 Ų247163.8 Ų163.8100%1.21787%0.87SS**  094.60-82.6-86.8177.600107.2
2D35Very low41.1Very low172 Ų172161.9 Ų161.992%0.9287%0.869SS**  trans-163.3134.6130.8-149.2-7.1000110
3G38.2Very low41.3Very low65 Ų65161.5 Ų161.567%0.6787%0.865SS**  trans-87.7132.7-165.400000112.7R5G3-R5 PolarHBondContact O-N 3.39Å
4S42.1Very low41.5Very low109 Ų109157.5 Ų157.576%0.76285%0.852SS**  trans-74.5115175.7-153.10000110.3R6S4-R6 PolarHBondContact O-N 3.38Å
5R44.9Very low41.6Very low242 Ų242163.6 Ų163.691%0.91386%0.858SS**  trans-69.1118.6169.6-70179.4-161.9-130.7-0.2109.4G3G3-R5 PolarHBondContact O-N 3.39Å
6R47.5Very low41.5Very low231 Ų231167.9 Ų167.987%0.87286%0.861SS**  trans-136.1138.1149.1-70-170.3-150.5-118.20.4110.5S4S4-R6 PolarHBondContact O-N 3.38Å
7V40.2Very low41.9Very low148 Ų148161.4 Ų161.490%0.89785%0.846SS**  trans-59.2130.4-169.9175.10000111.4
8R38.2Very low42.2Very low246 Ų246159.6 Ų159.693%0.92885%0.845SS**  trans-97.1107174.7-148.3-177.3-154.4-168.85.9107.8
9A42.5Very low42.4Very low94 Ų94156.9 Ų156.978%0.77784%0.838SS**PPolyproline II helixtrans-87.8141.3165.700000109.3
10T43.4Very low42.4Very low138 Ų138155.6 Ų155.685%0.84784%0.84SS**PPolyproline II helixtrans-73.5148.4-167.636.70000114
11S38.4Very low42.9Very low110 Ų110155 Ų15577%0.76984%0.836SS**PPolyproline II helixtrans-75.8134.7178.751.10000113.2
12V42Very low43.4Very low141 Ų141153.3 Ų153.386%0.85582%0.822SS**  trans-128.6115.6157.1-178.60000108.2
13L44Very low44.2Very low156 Ų156154.9 Ų154.982%0.81782%0.821SS**  trans-67134.1177.7-89.5134.6000111.7
14P44.2Very low44.4Very low106 Ų106154.3 Ų154.369%0.68881%0.814SS**  trans-79.3120164.3-2.519.9000109.9Y16P14-Y16 PolarHBondContact O-N 3.44Å
15R42.3Very low44.9Very low249 Ų249157.9 Ų157.994%0.9482%0.819SS**  trans-73115.5167.7-79-172.8179.1173.60.2109.1G17R15-G17 PolarHBondContact O-N 2.76Å
16Y40.3Very low45.1Very low232 Ų232153.3 Ų153.391%0.9181%0.811SS**PPolyproline II helixtrans-65.6120.8168.1-81.6-99.6000110.2P14P14-Y16 PolarHBondContact O-N 3.44Å
17G48.8Very low45.2Very low58 Ų58146.9 Ų146.960%0.59880%0.802SS**PPolyproline II helixtrans-90.3157158.600000110.4R15R15-G17 PolarHBondContact O-N 2.76Å
18P47.1Very low45.7Very low128 Ų128145 Ų14583%0.83179%0.791SS**PPolyproline II helixtrans-69.3143.1-174.427.7-32.1000111.8C20P18-C20 PolarHBondContact O-N 3.32Å
19P46.8Very low46.4Very low110 Ų110141.6 Ų141.671%0.71478%0.783SS**PPolyproline II helixtrans-75.1121.1-176.129.3-31.6000110.9L21P19-L21 PolarHBondContact O-N 3.05Å; P19-L21 VanDerWaalsContact O-N 3.16Å
20C40.8Very low46.8Very low129 Ų129142.7 Ų142.787%0.87279%0.785SS**  trans-72.6102.6166.954.60000109.5P18 F22P18-C20 PolarHBondContact O-N 3.32Å; C20-F22 PolarHBondContact O-N 2.82Å
21L53.6Low47.5Very low145 Ų145140.9 Ų140.976%0.75977%0.77SS**  trans-87.467.1176.2-71.7174.1000111.4P19P19-L21 PolarHBondContact O-N 3.05Å; P19-L21 VanDerWaalsContact O-N 3.16Å
22F50.2Low48.4Very low211 Ų211139.9 Ų139.993%0.92577%0.769SS**  trans-153.875.1160.8-83.2-70.6000110.8C20C20-F22 PolarHBondContact O-N 2.82Å
23K53.3Low48.9Very low205 Ų205141.2 Ų141.289%0.89176%0.763SS**  trans-108.961.5158.7-162.5111179.6-173.30108.8
24G42.5Very low49.5Very low52 Ų52135.6 Ų135.654%0.53674%0.736SS.*  trans-88.3122.1160.800000107.8L26G24-L26 PolarHBondContact O-N 3.26Å
25H51.8Low50Low185 Ų185135.7 Ų135.786%0.85674%0.735SS**  trans-62.288.9163.6-89.3-77.6000108.2S27H25-S27 VanDerWaalsContact C-N 3.32Å; H25-S27 PolarHBondContact O-N 3.16Å; H25-S27 VanDerWaalsContact O-N 3.07Å
26L49Very low50.4Low145 Ų145131 Ų13176%0.75973%0.729SS**  trans-7599.2162.5-60.4-148.6000105.7G24 T28G24-L26 PolarHBondContact O-N 3.26Å; L26-T28 PolarHBondContact O-N 2.86Å
27S50.2Low51Low96 Ų96121.9 Ų121.967%0.67170%0.699SS**  trans-61.785.9165.1-175.70000108.1H25 K29H25-S27 VanDerWaalsContact C-N 3.32Å; H25-S27 PolarHBondContact O-N 3.16Å; H25-S27 VanDerWaalsContact O-N 3.07Å; S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.11Å
28T50.1Low51.4Low108 Ų108125.4 Ų125.466%0.66371%0.714SS**  trans-8144.3167.346.30000110.3L26L26-T28 PolarHBondContact O-N 2.86Å
29K52.8Low51.8Low175 Ų175124.1 Ų124.176%0.76171%0.709SS**  trans-100.49.8-176.1-69.6-77.8-179178.70113.9S27S27-K29 PolarHBondContact O-N 3.48Å; S27-K29 VanDerWaalsContact O-N 3.11Å
30S52Low52.3Low117 Ų117122.4 Ų122.482%0.81869%0.693SS**  trans-135.650.4-178.765.60000113.2
31N56.9Low53.5Low100 Ų100125.3 Ų125.354%0.53569%0.686SS.*  trans-117.1121.3159.9-171.2-0.7000108.4F33 C34N31-F33 PolarHBondContact O-N 2.89Å; N31-F33 PolarHBondContact OD1-N 3.41Å; N31-C34 PolarHBondContact O-N 2.91Å; N31-C34 VanDerWaalsContact O-N 3.13Å
32A57.7Low54.1Low90 Ų90125.2 Ų125.274%0.74469%0.685SS**THydrogen-bonded Turntrans-62.1-8.1-179.700000113.2
33F53.6Low55.3Low169 Ų169118.9 Ų118.974%0.74167%0.667SS**THydrogen-bonded Turntrans-116.416.6179.6-56.9-75.8000114N31 T35N31-F33 PolarHBondContact O-N 2.89Å; N31-F33 PolarHBondContact OD1-N 3.41Å; F33-T35 PolarHBondContact O-N 2.95Å
34C54.7Low56.5Low37 Ų37111.7 Ų111.725%0.2564%0.64CS.*  trans-63.9100.2173.2-810000111.3N31 D36N31-C34 PolarHBondContact O-N 2.91Å; N31-C34 VanDerWaalsContact O-N 3.13Å; C34-D36 PolarHBondContact O-N 3.27Å
35T55.8Low58.3Low108 Ų108112.3 Ų112.366%0.66363%0.631SS**THydrogen-bonded Turntrans-66.2-20.7172.549.80000113.4F33 S37F33-T35 PolarHBondContact O-N 2.95Å; T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.43Å
36D49.9Very low59.8Low152 Ų152108 Ų10881%0.81361%0.611SS**THydrogen-bonded Turntrans-86.4-0.5-175.4-69.4-3.7000113.8C34 S38C34-D36 PolarHBondContact O-N 3.27Å; D36-S38 PolarHBondContact O-N 3.4Å; D36-S38 VanDerWaalsContact O-N 3.08Å
37S54.3Low61.7Low40 Ų40105.6 Ų105.628%0.2860%0.598SS.*  trans-78.795.7172.3-70.30000109.1T35 S39 L40T35-S37 VanDerWaalsContact C-N 3.32Å; T35-S37 PolarHBondContact O-N 3.43Å; S37-S39 PolarHBondContact O-N 2.64Å; S37-L40 PolarHBondContact O-N 2.89Å
38S56.8Low63.6Low131 Ų131105 Ų10592%0.91659%0.591SS**THydrogen-bonded Turntrans-54-4.6174.359.90000115.4D36D36-S38 PolarHBondContact O-N 3.4Å; D36-S38 VanDerWaalsContact O-N 3.08Å
39S55.1Low65.5Low102 Ų102106.5 Ų106.571%0.71359%0.588SS**THydrogen-bonded Turntrans-93.7-16.9173.463.60000114.3S37 R41S37-S39 PolarHBondContact O-N 2.64Å; S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.72Å
40L56.7Low67.4Low73 Ų73102.1 Ų102.138%0.38257%0.573SS.*SBendtrans-83.784.1174-163.769.7000107.1S37 L42 T44 L45S37-L40 PolarHBondContact O-N 2.89Å; L40-L42 PolarHBondContact O-N 3.08Å; L40-T44 WeakPolarHBondContact CD1-OG1 3.49Å; L40-T44 WeakPolarHBondContact CG-OG1 3.47Å; L40-L45 HydrophobicContact CD2-CD1 4.35Å; L40-L45 HydrophobicContact CD2-CD2 3.49Å; L40-L45 VanDerWaalsContact CD2-CD2 3.49Å; L40-L45 HydrophobicContact CD2-CG 3.77Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; L40-L45 HydrophobicContact CG-CG 4.13Å
41R66.4Low69.5Low191 Ų191102.4 Ų102.472%0.72156%0.561SS**  trans-40.4130-177.6-70.8-98.5166.6149.1-6.1109.4S39 S43 T44 L45S39-R41 VanDerWaalsContact C-N 3.29Å; S39-R41 PolarHBondContact O-N 2.72Å; R41-S43 WeakPolarHBondContact CB-OG 3.21Å; R41-S43 CarbonylContact O-C 3.57Å; R41-S43 PolarHBondContact O-N 3.07Å; R41-T44 HydrophobicContact CB-CG2 4.39Å; R41-T44 WeakPolarHBondContact O-CA 3.36Å; R41-T44 WeakPolarHBondContact O-CB 3.37Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.92Å; R41-L45 PolarHBondContact O-N 3.1Å
42L66.9Low71.3Confident142 Ų142101.1 Ų101.174%0.74355%0.553SS**Hα-helixtrans-43.8-33.3176.1179.963.4000112.7L40 L45 Q46L40-L42 PolarHBondContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 3.11Å; L42-Q46 WeakPolarHBondContact O-CB 3.17Å; L42-Q46 PolarHBondContact O-N 2.84Å
43S74.7Confident73Confident79 Ų7999.1 Ų99.155%0.55254%0.536SS*.Hα-helixtrans-60.8-40.7173.157.90000114.4R41 Q46 L47R41-S43 WeakPolarHBondContact CB-OG 3.21Å; R41-S43 CarbonylContact O-C 3.57Å; R41-S43 PolarHBondContact O-N 3.07Å; S43-Q46 PolarHBondContact O-N 2.82Å; S43-L47 WeakPolarHBondContact O-CB 3.44Å; S43-L47 PolarHBondContact O-N 3.19Å
44T79.1Confident75Confident53 Ų5394.8 Ų94.833%0.32552%0.524SS..Hα-helixtrans-69.4-38.317757.40000112L40 R41 L47 V48L40-T44 WeakPolarHBondContact CD1-OG1 3.49Å; L40-T44 WeakPolarHBondContact CG-OG1 3.47Å; R41-T44 HydrophobicContact CB-CG2 4.39Å; R41-T44 WeakPolarHBondContact O-CA 3.36Å; R41-T44 WeakPolarHBondContact O-CB 3.37Å; R41-T44 PolarHBondContact O-N 3.07Å; R41-T44 PolarHBondContact O-OG1 2.92Å; T44-L47 PolarHBondContact O-N 3.43Å; T44-V48 VanDerWaalsContact O-CG2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.38Å
45L80.6Confident76.9Confident65 Ų6597.7 Ų97.734%0.3453%0.533SS..Hα-helixtrans-66.3-42.6173-75.6172.5000111.9L40 R41 L42 L47 V48 K49L40-L45 HydrophobicContact CD2-CD1 4.35Å; L40-L45 HydrophobicContact CD2-CD2 3.49Å; L40-L45 VanDerWaalsContact CD2-CD2 3.49Å; L40-L45 HydrophobicContact CD2-CG 3.77Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; L40-L45 HydrophobicContact CG-CG 4.13Å; R41-L45 PolarHBondContact O-N 3.1Å; L42-L45 PolarHBondContact O-N 3.11Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L45-V48 PolarHBondContact O-N 3.39Å; L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 2.92Å
46Q83.4Confident78.8Confident95 Ų9598.8 Ų98.844%0.44453%0.526SS..Hα-helixtrans-65.8-37.5176.3-169.166.68.300111.7L42 S43 K49 N50L42-Q46 WeakPolarHBondContact O-CB 3.17Å; L42-Q46 PolarHBondContact O-N 2.84Å; S43-Q46 PolarHBondContact O-N 2.82Å; Q46-K49 PolarHBondContact O-N 2.87Å; Q46-N50 WeakPolarHBondContact O-CB 3.26Å; Q46-N50 PolarHBondContact O-N 3.26Å; Q46-N50 PolarHBondContact O-OD1 3.47Å
47L89Confident80.9Confident94 Ų9496.3 Ų96.349%0.49251%0.513SS..Hα-helixtrans-63.2-48.2174.7-176.161.5000110.8S43 T44 L45 K49 N50 H51S43-L47 WeakPolarHBondContact O-CB 3.44Å; S43-L47 PolarHBondContact O-N 3.19Å; T44-L47 PolarHBondContact O-N 3.43Å; L45-L47 VanDerWaalsContact C-N 3.33Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.2Å; L47-N50 PolarHBondContact O-N 2.84Å; L47-H51 WeakPolarHBondContact CD1-NE2 3.45Å; L47-H51 PolarHBondContact O-CD2 3.34Å; L47-H51 PolarHBondContact O-N 2.95Å
48V89.6Confident82.8Confident84 Ų84101.2 Ų101.251%0.50953%0.529SS..Hα-helixtrans-58.2-46174.91710000110.6T44 L45 N50 H51 M52T44-V48 VanDerWaalsContact O-CG2 3.28Å; T44-V48 WeakPolarHBondContact O-CG2 3.28Å; T44-V48 PolarHBondContact O-N 3.38Å; L45-V48 PolarHBondContact O-N 3.39Å; V48-N50 VanDerWaalsContact C-N 3.33Å; V48-N50 PolarHBondContact O-N 3.38Å; V48-H51 PolarHBondContact O-N 3.35Å; V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.49Å; V48-M52 VanDerWaalsContact O-CG 3.26Å; V48-M52 WeakPolarHBondContact O-CG 3.44Å; V48-M52 PolarHBondContact O-N 3.42Å
49K89.2Confident84.4Confident139 Ų13999.3 Ų99.360%0.60451%0.508SS*.Hα-helixtrans-58.7-43.4176.8-173178.8178.6-179.90112.2L45 Q46 L47 M52 A53L45-K49 WeakPolarHBondContact O-CB 3.43Å; L45-K49 PolarHBondContact O-N 2.92Å; Q46-K49 PolarHBondContact O-N 2.87Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.2Å; K49-M52 PolarHBondContact O-N 2.99Å; K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.45Å
50N93.3Very high86.1Confident84 Ų84101.3 Ų101.345%0.44951%0.51SS..Hα-helixtrans-65.9-43.9177.3-71.3-7.4000111.7Q46 L47 V48 M52 A53 V54Q46-N50 WeakPolarHBondContact O-CB 3.26Å; Q46-N50 PolarHBondContact O-N 3.26Å; Q46-N50 PolarHBondContact O-OD1 3.47Å; L47-N50 PolarHBondContact O-N 2.84Å; V48-N50 VanDerWaalsContact C-N 3.33Å; V48-N50 PolarHBondContact O-N 3.38Å; N50-M52 VanDerWaalsContact C-N 3.34Å; N50-M52 PolarHBondContact O-N 3.13Å; N50-A53 PolarHBondContact O-N 3.37Å; N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 3.16Å
51H94.9Very high87.7Confident122 Ų122102 Ų10257%0.56552%0.521SS*.Hα-helixtrans-62.7-41.4175.4-79.7-72.6000112.1L47 V48 V54 H55L47-H51 WeakPolarHBondContact CD1-NE2 3.45Å; L47-H51 PolarHBondContact O-CD2 3.34Å; L47-H51 PolarHBondContact O-N 2.95Å; V48-H51 PolarHBondContact O-N 3.35Å; H51-V54 PolarHBondContact O-N 3.39Å; H51-H55 VanDerWaalsContact O-CB 3.27Å; H51-H55 WeakPolarHBondContact O-CB 3.43Å; H51-H55 PolarHBondContact O-N 3.14Å
52M95Very high88.7Confident74 Ų7496.2 Ų96.237%0.36551%0.513SS..Hα-helixtrans-63.1-44175.3-70.7-50.5-52.200111.5V48 K49 N50 V54 H55 Y56V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.49Å; V48-M52 VanDerWaalsContact O-CG 3.26Å; V48-M52 WeakPolarHBondContact O-CG 3.44Å; V48-M52 PolarHBondContact O-N 3.42Å; K49-M52 PolarHBondContact O-N 2.99Å; N50-M52 VanDerWaalsContact C-N 3.34Å; N50-M52 PolarHBondContact O-N 3.13Å; M52-V54 PolarHBondContact O-N 3.04Å; M52-H55 PolarHBondContact O-N 3.46Å; M52-Y56 HydrophobicContact CB-CD2 4.48Å; M52-Y56 HydrophobicContact CB-CE2 4.41Å; M52-Y56 HydrophobicContact CE-CD2 3.94Å; M52-Y56 HydrophobicContact CE-CE2 3.13Å; M52-Y56 VanDerWaalsContact CE-CZ 3.48Å; M52-Y56 WeakPolarHBondContact CE-OH 3.36Å; M52-Y56 WeakPolarHBondContact O-CD2 3.45Å; M52-Y56 PolarHBondContact O-N 2.86Å
53A94.5Very high89.5Confident47 Ų4798.9 Ų98.939%0.38852%0.519SS..Hα-helixtrans-61-45.3176.500000111.9K49 N50 H55 N57K49-A53 WeakPolarHBondContact O-CB 3.49Å; K49-A53 PolarHBondContact O-N 3.45Å; N50-A53 PolarHBondContact O-N 3.37Å; A53-H55 PolarHBondContact O-N 3.5Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.4Å; A53-N57 PolarHBondContact O-N 3.27Å; A53-N57 PolarHBondContact O-ND2 3.5Å
54V95.1Very high89.7Confident79 Ų7998.9 Ų98.948%0.47952%0.524SS..Hα-helixtrans-64.5-40.5176.2172.80000111.5N50 H51 M52 N57 K58N50-V54 WeakPolarHBondContact O-CG2 3.44Å; N50-V54 PolarHBondContact O-N 3.16Å; H51-V54 PolarHBondContact O-N 3.39Å; M52-V54 PolarHBondContact O-N 3.04Å; V54-N57 PolarHBondContact O-N 3.19Å; V54-K58 HydrophobicContact CG1-CD 4.41Å; V54-K58 WeakPolarHBondContact O-CB 3.36Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.01Å
55H95.3Very high89.5Confident98 Ų98101.5 Ų101.545%0.45455%0.551SS.*Hα-helixtrans-63.4-49.2178.5177.562000111.9H51 M52 A53 K58 I59H51-H55 VanDerWaalsContact O-CB 3.27Å; H51-H55 WeakPolarHBondContact O-CB 3.43Å; H51-H55 PolarHBondContact O-N 3.14Å; M52-H55 PolarHBondContact O-N 3.46Å; A53-H55 PolarHBondContact O-N 3.5Å; H55-K58 WeakPolarHBondContact O-CB 3.42Å; H55-K58 PolarHBondContact O-N 3.49Å; H55-I59 VanDerWaalsContact NE2-CD1 3.31Å; H55-I59 WeakPolarHBondContact NE2-CD1 3.41Å; H55-I59 WeakPolarHBondContact O-CG1 3.25Å; H55-I59 PolarHBondContact O-N 3.28Å
56Y95.4Very high89.5Confident130 Ų130103.6 Ų103.651%0.5157%0.566SS.*Hα-helixtrans-67.3-37.9177.5-71.8-57.6000112.3M52 K58 I59 L60M52-Y56 HydrophobicContact CB-CD2 4.48Å; M52-Y56 HydrophobicContact CB-CE2 4.41Å; M52-Y56 HydrophobicContact CE-CD2 3.94Å; M52-Y56 HydrophobicContact CE-CE2 3.13Å; M52-Y56 VanDerWaalsContact CE-CZ 3.48Å; M52-Y56 WeakPolarHBondContact CE-OH 3.36Å; M52-Y56 WeakPolarHBondContact O-CD2 3.45Å; M52-Y56 PolarHBondContact O-N 2.86Å; Y56-K58 VanDerWaalsContact C-N 3.3Å; Y56-K58 PolarHBondContact O-N 3.41Å; Y56-I59 HydrophobicContact CD1-CD1 4.2Å; Y56-I59 PolarHBondContact O-N 2.95Å; Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 VanDerWaalsContact O-CG 3.25Å; Y56-L60 WeakPolarHBondContact O-CG 3.27Å; Y56-L60 PolarHBondContact O-N 2.91Å
57N93.9Very high89.2Confident101 Ų101105.2 Ų105.254%0.5458%0.578SS.*Hα-helixtrans-61.8-39.1172.3-74.1-21.2000111.6A53 V54 L60 S61A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.4Å; A53-N57 PolarHBondContact O-N 3.27Å; A53-N57 PolarHBondContact O-ND2 3.5Å; V54-N57 PolarHBondContact O-N 3.19Å; N57-L60 PolarHBondContact O-N 2.89Å; N57-S61 WeakPolarHBondContact O-CB 3.13Å; N57-S61 PolarHBondContact O-N 3.31Å; N57-S61 PolarHBondContact O-OG 3.42Å
58K93.7Very high88.8Confident143 Ų143106.3 Ų106.362%0.62259%0.592SS**Hα-helixtrans-61.9-43.9172.9-82179.9177.4-1780111.9V54 H55 Y56 S61 A62V54-K58 HydrophobicContact CG1-CD 4.41Å; V54-K58 WeakPolarHBondContact O-CB 3.36Å; V54-K58 WeakPolarHBondContact O-CG 3.4Å; V54-K58 PolarHBondContact O-N 3.01Å; H55-K58 WeakPolarHBondContact O-CB 3.42Å; H55-K58 PolarHBondContact O-N 3.49Å; Y56-K58 VanDerWaalsContact C-N 3.3Å; Y56-K58 PolarHBondContact O-N 3.41Å; K58-S61 WeakPolarHBondContact CA-OG 3.31Å; K58-S61 PolarHBondContact O-N 2.91Å; K58-S61 PolarHBondContact O-OG 2.92Å; K58-A62 WeakPolarHBondContact O-CB 3.36Å; K58-A62 PolarHBondContact O-N 2.97Å
59I91.2Very high88.5Confident90 Ų90105.9 Ų105.946%0.46259%0.593SS.*Hα-helixtrans-64.1-44.8176.8-67165.6000111.2H55 Y56 A62H55-I59 VanDerWaalsContact NE2-CD1 3.31Å; H55-I59 WeakPolarHBondContact NE2-CD1 3.41Å; H55-I59 WeakPolarHBondContact O-CG1 3.25Å; H55-I59 PolarHBondContact O-N 3.28Å; Y56-I59 HydrophobicContact CD1-CD1 4.2Å; Y56-I59 PolarHBondContact O-N 2.95Å; I59-A62 VanDerWaalsContact O-CB 3.23Å; I59-A62 WeakPolarHBondContact O-CB 3.17Å; I59-A62 PolarHBondContact O-N 3.47Å
60L90.9Very high88.3Confident144 Ų144103.2 Ų103.275%0.75459%0.588SS**Hα-helixtrans-69.6-34.9180-69171.1000112.3Y56 N57 A62Y56-L60 WeakPolarHBondContact O-CB 3.45Å; Y56-L60 VanDerWaalsContact O-CG 3.25Å; Y56-L60 WeakPolarHBondContact O-CG 3.27Å; Y56-L60 PolarHBondContact O-N 2.91Å; N57-L60 PolarHBondContact O-N 2.89Å; L60-A62 VanDerWaalsContact C-N 3.28Å
61S88.6Confident88Confident89 Ų89102.9 Ų102.962%0.62259%0.591SS**Hα-helixtrans-79.6-9.917473.70000113.3N57 K58 K63N57-S61 WeakPolarHBondContact O-CB 3.13Å; N57-S61 PolarHBondContact O-N 3.31Å; N57-S61 PolarHBondContact O-OG 3.42Å; K58-S61 WeakPolarHBondContact CA-OG 3.31Å; K58-S61 PolarHBondContact O-N 2.91Å; K58-S61 PolarHBondContact O-OG 2.92Å; S61-K63 PolarHBondContact O-N 3.48Å
62A87.6Confident87.5Confident68 Ų68102.9 Ų102.956%0.56260%0.599SS**  trans-66.3107-178.900000108.3K58 I59 L60 A64K58-A62 WeakPolarHBondContact O-CB 3.36Å; K58-A62 PolarHBondContact O-N 2.97Å; I59-A62 VanDerWaalsContact O-CB 3.23Å; I59-A62 WeakPolarHBondContact O-CB 3.17Å; I59-A62 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.28Å; A62-A64 PolarHBondContact O-N 3.19Å
63K84.2Confident87.1Confident198 Ų198103.5 Ų103.586%0.86161%0.611SS**  trans-74.8127.8174.3-157.9161.8-175.1167.70107.9S61 A65S61-K63 PolarHBondContact O-N 3.48Å; K63-A65 PolarHBondContact O-N 3.21Å; K63-A65 VanDerWaalsContact O-N 3.1Å
64A79.3Confident86.7Confident80 Ų80104 Ų10466%0.66161%0.605SS**  trans-57119.4172.600000108.6A62 V66A62-A64 PolarHBondContact O-N 3.19Å; A64-V66 PolarHBondContact O-N 3.31Å
65A75.5Confident86.1Confident107 Ų107104.7 Ų104.788%0.88461%0.614SS**  trans-77.227.7175.900000112K63 D67K63-A65 PolarHBondContact O-N 3.21Å; K63-A65 VanDerWaalsContact O-N 3.1Å; A65-D67 PolarHBondContact O-N 3.07Å
66V79Confident85.7Confident109 Ų109104 Ų10466%0.66163%0.625SS**  trans-87.9107.6173.6-176.10000106.4A64 C68A64-V66 PolarHBondContact O-N 3.31Å; V66-C68 PolarHBondContact O-N 2.61Å
67D78.9Confident85.6Confident129 Ų12999.7 Ų99.769%0.6961%0.614SS**  trans-7094.3176-173.28.1000109.6A65 S69A65-D67 PolarHBondContact O-N 3.07Å; D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.94Å; D67-S69 PolarHBondContact OD1-OG 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.17Å
68C80.8Confident85.6Confident118 Ų118100.3 Ų100.380%0.79762%0.621SS**  trans-86.17.2170.8-60.60000112.1V66V66-C68 PolarHBondContact O-N 2.61Å
69S81.9Confident85.6Confident75 Ų75102 Ų10252%0.52463%0.628SS.*SBendtrans-68.4151.1176.279.10000110.2D67D67-S69 WeakPolarHBondContact OD1-CA 3.32Å; D67-S69 WeakPolarHBondContact OD1-CB 3.42Å; D67-S69 PolarHBondContact OD1-N 2.94Å; D67-S69 PolarHBondContact OD1-OG 3.12Å; D67-S69 PolarHBondContact OD2-OG 3.17Å
70V84.8Confident85.7Confident83 Ų83101.4 Ų101.450%0.50362%0.621SS.*PPolyproline II helixtrans-60.7129.6176.8166.90000108.5V72 M74V70-V72 PolarHBondContact O-N 3.14Å; V70-M74 HydrophobicContact CB-CE 4.06Å; V70-M74 HydrophobicContact CG1-CB 3.64Å; V70-M74 HydrophobicContact CG1-CE 3.15Å; V70-M74 HydrophobicContact CG1-CG 4.03Å; V70-M74 HydrophobicContact CG1-SD 3.83Å; V70-M74 HydrophobicContact CG2-CE 3.73Å
71P87.7Confident85.8Confident77 Ų7796.4 Ų96.450%0.560%0.6SS.*PPolyproline II helixtrans-59.2136.4179.123.1-32.4000109.7S73 M74P71-S73 PolarHBondContact O-N 3.21Å; P71-M74 HydrophobicContact CG-CB 4.19Å; P71-M74 VanDerWaalsContact O-CB 3.23Å; P71-M74 WeakPolarHBondContact O-CB 3.41Å; P71-M74 PolarHBondContact O-N 3.04Å
72V83.6Confident86.1Confident121 Ų12194.4 Ų94.473%0.73358%0.583SS**Hα-helixtrans-55.8-31.7-176.4-1790000111.7V70 M74 S75 A76V70-V72 PolarHBondContact O-N 3.14Å; V72-M74 PolarHBondContact O-N 3.01Å; V72-S75 WeakPolarHBondContact O-CB 3.23Å; V72-S75 PolarHBondContact O-N 3.42Å; V72-S75 PolarHBondContact O-OG 3.24Å; V72-A76 PolarHBondContact O-N 3.21Å
73S86.8Confident86.5Confident88 Ų8895.6 Ų95.662%0.61558%0.577SS**Hα-helixtrans-58.8-29174.2580000113.8P71 A76 S77P71-S73 PolarHBondContact O-N 3.21Å; S73-A76 PolarHBondContact O-N 2.96Å; S73-S77 PolarHBondContact O-N 3.02Å
74M87.4Confident86.9Confident56 Ų5691.2 Ų91.228%0.27656%0.559SS.*Hα-helixtrans-70.6-33.1176.5-165.3167.2100.600111.6V70 P71 V72 S77 Y80V70-M74 HydrophobicContact CB-CE 4.06Å; V70-M74 HydrophobicContact CG1-CB 3.64Å; V70-M74 HydrophobicContact CG1-CE 3.15Å; V70-M74 HydrophobicContact CG1-CG 4.03Å; V70-M74 HydrophobicContact CG1-SD 3.83Å; V70-M74 HydrophobicContact CG2-CE 3.73Å; P71-M74 HydrophobicContact CG-CB 4.19Å; P71-M74 VanDerWaalsContact O-CB 3.23Å; P71-M74 WeakPolarHBondContact O-CB 3.41Å; P71-M74 PolarHBondContact O-N 3.04Å; V72-M74 PolarHBondContact O-N 3.01Å; M74-S77 WeakPolarHBondContact O-CB 3.12Å; M74-S77 PolarHBondContact O-N 2.8Å; M74-Y80 HydrophobicContact CE-CD1 4.43Å; M74-Y80 HydrophobicContact CE-CD2 4.28Å; M74-Y80 HydrophobicContact CE-CE1 3.77Å; M74-Y80 HydrophobicContact CE-CE2 3.62Å; M74-Y80 WeakPolarHBondContact CE-OH 3.25Å; M74-Y80 HydrophobicContact CG-CD1 3.77Å; M74-Y80 HydrophobicContact CG-CD2 3.94Å; M74-Y80 HydrophobicContact CG-CE1 4.07Å; M74-Y80 HydrophobicContact CG-CE2 4.24Å; M74-Y80 HydrophobicContact CG-CG 3.7Å; M74-Y80 WeakPolarHBondContact O-CD1 3.38Å; M74-Y80 HydrophobicContact SD-CD2 4.22Å; M74-Y80 HydrophobicContact SD-CE2 4.08Å
75S81.8Confident87.7Confident95 Ų9593.9 Ų93.966%0.66455%0.552SS**Hα-helixtrans-69.2-32.1176.174.60000113V72V72-S75 WeakPolarHBondContact O-CB 3.23Å; V72-S75 PolarHBondContact O-N 3.42Å; V72-S75 PolarHBondContact O-OG 3.24Å
76A86.1Confident88.7Confident82 Ų8296.5 Ų96.568%0.67854%0.539SS*.THydrogen-bonded Turntrans-86.3-6.1175.800000113.4V72 S73 V78V72-A76 PolarHBondContact O-N 3.21Å; S73-A76 PolarHBondContact O-N 2.96Å; A76-V78 PolarHBondContact O-N 2.91Å
77S93.1Very high89.5Confident41 Ų4194.6 Ų94.629%0.28752%0.523SS..  trans-76.3116-175.6178.20000111.7S73 M74 K79 Y80 A81S73-S77 PolarHBondContact O-N 3.02Å; M74-S77 WeakPolarHBondContact O-CB 3.12Å; M74-S77 PolarHBondContact O-N 2.8Å; S77-K79 PolarHBondContact O-N 3.49Å; S77-K79 PolarHBondContact OG-N 3.21Å; S77-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact OG-N 3.2Å; S77-A81 PolarHBondContact O-N 3.42Å
78V94.1Very high90.3Very high113 Ų11395.1 Ų95.169%0.68552%0.519SS*.Hα-helixtrans-59-35.2173.6178.90000111.4A76 A81 D82A76-V78 PolarHBondContact O-N 2.91Å; V78-A81 PolarHBondContact O-N 2.92Å; V78-D82 WeakPolarHBondContact O-CB 3.38Å; V78-D82 PolarHBondContact O-N 3.18Å
79K94.6Very high91Very high179 Ų17995 Ų9578%0.77851%0.51SS*.Hα-helixtrans-64.8-43.5178.3-68.2-176.4178.1179.60111.6S77 D82 Q83S77-K79 PolarHBondContact O-N 3.49Å; S77-K79 PolarHBondContact OG-N 3.21Å; K79-D82 PolarHBondContact O-N 2.97Å; K79-Q83 WeakPolarHBondContact O-CB 3.06Å; K79-Q83 PolarHBondContact O-N 3.1Å
80Y92.8Very high91.6Very high77 Ų7797 Ų9730%0.30251%0.509SS..Hα-helixtrans-68.9-41.5179.2-176.2-110.7000111.6M74 S77 D82 Q83 Q84M74-Y80 HydrophobicContact CE-CD1 4.43Å; M74-Y80 HydrophobicContact CE-CD2 4.28Å; M74-Y80 HydrophobicContact CE-CE1 3.77Å; M74-Y80 HydrophobicContact CE-CE2 3.62Å; M74-Y80 WeakPolarHBondContact CE-OH 3.25Å; M74-Y80 HydrophobicContact CG-CD1 3.77Å; M74-Y80 HydrophobicContact CG-CD2 3.94Å; M74-Y80 HydrophobicContact CG-CE1 4.07Å; M74-Y80 HydrophobicContact CG-CE2 4.24Å; M74-Y80 HydrophobicContact CG-CG 3.7Å; M74-Y80 WeakPolarHBondContact O-CD1 3.38Å; M74-Y80 HydrophobicContact SD-CD2 4.22Å; M74-Y80 HydrophobicContact SD-CE2 4.08Å; S77-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact OG-N 3.2Å; Y80-D82 VanDerWaalsContact C-N 3.33Å; Y80-D82 PolarHBondContact O-N 3.03Å; Y80-Q83 WeakPolarHBondContact O-CB 3.46Å; Y80-Q83 PolarHBondContact O-N 3.36Å; Y80-Q84 HydrophobicContact CE1-CG 4.24Å; Y80-Q84 PolarHBondContact O-N 3.46Å; Y80-Q84 PolarHBondContact OH-NE2 2.89Å
81A93.1Very high92.1Very high39 Ų3999.8 Ų99.832%0.32252%0.515SS..Hα-helixtrans-61.1-40.8173.100000112.2S77 V78 Q84 R85S77-A81 PolarHBondContact O-N 3.42Å; V78-A81 PolarHBondContact O-N 2.92Å; A81-Q84 PolarHBondContact O-N 2.81Å; A81-R85 WeakPolarHBondContact O-CG 3.36Å; A81-R85 PolarHBondContact O-N 3.39Å
82D96.1Very high92.5Very high47 Ų47100.4 Ų100.425%0.25151%0.511SS..Hα-helixtrans-66.3-41.2176.1-161.161000112.3V78 K79 Y80 Q84 R85 R86V78-D82 WeakPolarHBondContact O-CB 3.38Å; V78-D82 PolarHBondContact O-N 3.18Å; K79-D82 PolarHBondContact O-N 2.97Å; Y80-D82 VanDerWaalsContact C-N 3.33Å; Y80-D82 PolarHBondContact O-N 3.03Å; D82-Q84 PolarHBondContact O-N 2.99Å; D82-R85 PolarHBondContact O-N 3.17Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NE 2.85Å; D82-R85 IonicContact OD1-NH2 3.61Å; D82-R85 PolarHBondContact OD1-NH2 2.57Å; D82-R86 WeakPolarHBondContact O-CG 3.31Å; D82-R86 PolarHBondContact O-N 3.5Å; D82-R86 IonicContact OD2-CZ 2.8Å; D82-R86 IonicContact OD2-NE 3.75Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 IonicContact OD2-NH2 3.67Å; D82-R86 PolarHBondContact OD2-NH2 2.92Å
83Q95.4Very high93Very high94 Ų94100.6 Ų100.644%0.43951%0.507SS..Hα-helixtrans-58.9-46.6173.8-174.7176.213.600111.5K79 Y80 R85 R86 E87K79-Q83 WeakPolarHBondContact O-CB 3.06Å; K79-Q83 PolarHBondContact O-N 3.1Å; Y80-Q83 WeakPolarHBondContact O-CB 3.46Å; Y80-Q83 PolarHBondContact O-N 3.36Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.06Å; Q83-R86 PolarHBondContact O-N 2.91Å; Q83-E87 WeakPolarHBondContact O-CG 3.47Å; Q83-E87 PolarHBondContact O-N 2.87Å
84Q93.3Very high93.3Very high106 Ų10698.4 Ų98.450%0.49549%0.494SS..Hα-helixtrans-61.2-39.1176.1-72.8-165300112.6Y80 A81 D82 E87 K88Y80-Q84 HydrophobicContact CE1-CG 4.24Å; Y80-Q84 PolarHBondContact O-N 3.46Å; Y80-Q84 PolarHBondContact OH-NE2 2.89Å; A81-Q84 PolarHBondContact O-N 2.81Å; D82-Q84 PolarHBondContact O-N 2.99Å; Q84-E87 PolarHBondContact O-N 2.74Å; Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 3.34Å
85R95.6Very high93.5Very high135 Ų135103.4 Ų103.451%0.50951%0.51SS..Hα-helixtrans-62.2-44.5175-74.9-170.6-62.9-111.51.2111.8A81 D82 Q83 K88 L89A81-R85 WeakPolarHBondContact O-CG 3.36Å; A81-R85 PolarHBondContact O-N 3.39Å; D82-R85 PolarHBondContact O-N 3.17Å; D82-R85 IonicContact OD1-CZ 2.75Å; D82-R85 IonicContact OD1-NE 2.85Å; D82-R85 IonicContact OD1-NH2 3.61Å; D82-R85 PolarHBondContact OD1-NH2 2.57Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.06Å; R85-K88 PolarHBondContact O-N 3.32Å; R85-L89 WeakPolarHBondContact O-CG 3.23Å; R85-L89 PolarHBondContact O-N 3.34Å
86R95.9Very high93.6Very high163 Ų163102.2 Ų102.262%0.61550%0.501SS*.Hα-helixtrans-63.2-43.2177.4-68.2178.1-164.6-155.12.9111.7D82 Q83 K88 L89 K90D82-R86 WeakPolarHBondContact O-CG 3.31Å; D82-R86 PolarHBondContact O-N 3.5Å; D82-R86 IonicContact OD2-CZ 2.8Å; D82-R86 IonicContact OD2-NE 3.75Å; D82-R86 PolarHBondContact OD2-NE 2.97Å; D82-R86 IonicContact OD2-NH2 3.67Å; D82-R86 PolarHBondContact OD2-NH2 2.92Å; Q83-R86 PolarHBondContact O-N 2.91Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 3.23Å; R86-L89 PolarHBondContact O-N 2.99Å; R86-K90 WeakPolarHBondContact O-CB 3.01Å; R86-K90 PolarHBondContact O-N 2.64Å
87E95.1Very high93.7Very high68 Ų68103.2 Ų103.232%0.31849%0.492SS..Hα-helixtrans-64.1-39.3176.2-73.8-59.8139.800112.1Q83 Q84 K90 K91Q83-E87 WeakPolarHBondContact O-CG 3.47Å; Q83-E87 PolarHBondContact O-N 2.87Å; Q84-E87 PolarHBondContact O-N 2.74Å; E87-K90 PolarHBondContact O-N 3.3Å; E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 3.32Å
88K95.9Very high93.5Very high141 Ų141108.1 Ų108.161%0.61351%0.508SS*.Hα-helixtrans-62.1-47.8173.4-170.9177.8-179.4-179.40111.1Q84 R85 R86 K90 K91 E92Q84-K88 WeakPolarHBondContact O-CB 3.45Å; Q84-K88 PolarHBondContact O-N 3.34Å; R85-K88 PolarHBondContact O-N 3.32Å; R86-K88 VanDerWaalsContact C-N 3.35Å; R86-K88 PolarHBondContact O-N 3.23Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.17Å; K88-K91 WeakPolarHBondContact O-CB 3.13Å; K88-K91 PolarHBondContact O-N 3.3Å; K88-K91 VanDerWaalsContact O-N 3.16Å; K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.43Å
89L95.4Very high92.9Very high114 Ų114108.4 Ų108.460%0.59750%0.502SS*.Hα-helixtrans-60.3-41.1176.7-73173.3000112.1R85 R86 K91 E92 L93R85-L89 WeakPolarHBondContact O-CG 3.23Å; R85-L89 PolarHBondContact O-N 3.34Å; R86-L89 PolarHBondContact O-N 2.99Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.16Å; L89-E92 PolarHBondContact O-N 3.06Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 3.5Å
90K95.6Very high92.1Very high119 Ų119106.4 Ų106.452%0.51749%0.493SS..Hα-helixtrans-60.9-41.9175.4-172.4-180179.1-176.20111.6R86 E87 K88 A94R86-K90 WeakPolarHBondContact O-CB 3.01Å; R86-K90 PolarHBondContact O-N 2.64Å; E87-K90 PolarHBondContact O-N 3.3Å; K88-K90 VanDerWaalsContact C-N 3.32Å; K88-K90 PolarHBondContact O-N 3.17Å; K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.08Å
91K95.1Very high91.4Very high140 Ų140108.2 Ų108.261%0.60950%0.503SS*.Hα-helixtrans-65.6-42.7175.4-72.8176.1-177.9-177.20112.3E87 K88 L89 A94 R95E87-K91 WeakPolarHBondContact O-CG 3.42Å; E87-K91 PolarHBondContact O-N 3.32Å; K88-K91 WeakPolarHBondContact O-CB 3.13Å; K88-K91 PolarHBondContact O-N 3.3Å; K88-K91 VanDerWaalsContact O-N 3.16Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-K91 PolarHBondContact O-N 3.16Å; K91-A94 PolarHBondContact O-N 3.45Å; K91-R95 WeakPolarHBondContact O-CG 3.22Å; K91-R95 PolarHBondContact O-N 3.19Å
92E94.9Very high90.4Very high91 Ų91112.3 Ų112.343%0.42552%0.519SS..Hα-helixtrans-64.3-43.9175.9-67-55.8149.900111.5K88 L89 A94 R95 C96K88-E92 WeakPolarHBondContact O-CG 3.45Å; K88-E92 PolarHBondContact O-N 3.43Å; L89-E92 PolarHBondContact O-N 3.06Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.23Å; E92-R95 WeakPolarHBondContact O-CB 3.42Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 VanDerWaalsContact O-N 3.1Å; E92-C96 PolarHBondContact O-N 2.75Å; E92-C96 PolarHBondContact O-SG 3.39Å
93L94.6Very high89Confident125 Ų125113.7 Ų113.765%0.65453%0.529SS*.Hα-helixtrans-61.3-42175.2-73.9-178.5000111.9L89 R95 C96 E97L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 WeakPolarHBondContact O-CG 3.4Å; L89-L93 PolarHBondContact O-N 3.5Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.04Å; L93-C96 PolarHBondContact O-N 3.31Å; L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.5Å
94A92.8Very high87.7Confident42 Ų42116.2 Ų116.235%0.34754%0.538SS..Hα-helixtrans-64.3-33.5174.800000112.5K90 K91 E92 K98K90-A94 WeakPolarHBondContact O-CB 3.38Å; K90-A94 PolarHBondContact O-N 3.08Å; K91-A94 PolarHBondContact O-N 3.45Å; E92-A94 VanDerWaalsContact C-N 3.33Å; E92-A94 PolarHBondContact O-N 3.23Å; A94-K98 VanDerWaalsContact O-CG 3.25Å; A94-K98 WeakPolarHBondContact O-CG 3.44Å; A94-K98 PolarHBondContact O-N 2.84Å; A94-K98 VanDerWaalsContact O-N 3.14Å
95R91.8Very high86.1Confident160 Ų160115.7 Ų115.760%0.60454%0.543SS*.Hα-helixtrans-67.7-50172.5-75.7178.2179.4-98.61.1111.2K91 E92 L93 E97 K98 E99K91-R95 WeakPolarHBondContact O-CG 3.22Å; K91-R95 PolarHBondContact O-N 3.19Å; E92-R95 WeakPolarHBondContact O-CB 3.42Å; E92-R95 PolarHBondContact O-N 2.82Å; E92-R95 VanDerWaalsContact O-N 3.1Å; L93-R95 VanDerWaalsContact C-N 3.3Å; L93-R95 PolarHBondContact O-N 3.04Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 2.94Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 3.2Å; R95-K98 VanDerWaalsContact O-N 3.11Å; R95-E99 WeakPolarHBondContact O-CG 3.3Å; R95-E99 PolarHBondContact O-N 3.15Å
96C84.9Confident84.2Confident71 Ų71111.7 Ų111.748%0.4854%0.538SS..Hα-helixtrans-59.1-38.8176.4-72.30000112.2E92 L93 E99 F100E92-C96 PolarHBondContact O-N 2.75Å; E92-C96 PolarHBondContact O-SG 3.39Å; L93-C96 PolarHBondContact O-N 3.31Å; C96-E99 PolarHBondContact O-N 3.19Å; C96-F100 VanDerWaalsContact O-CB 3.29Å; C96-F100 WeakPolarHBondContact O-CB 3.45Å; C96-F100 PolarHBondContact O-N 3.48Å
97E88.6Confident82.4Confident102 Ų102110.8 Ų110.848%0.47754%0.543SS..Hα-helixtrans-65-41.5175.8-171.2-170.2157.500111.7L93 R95 F100 K101L93-E97 WeakPolarHBondContact O-CB 3.45Å; L93-E97 PolarHBondContact O-N 3.5Å; R95-E97 VanDerWaalsContact C-N 3.29Å; R95-E97 PolarHBondContact O-N 2.94Å; E97-F100 PolarHBondContact O-N 3.06Å; E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.14Å; E97-K101 IonicContact OE1-NZ 2.65Å; E97-K101 PolarHBondContact OE1-NZ 2.9Å
98K86.9Confident80.4Confident145 Ų145117.9 Ų117.963%0.6357%0.567SS**Hα-helixtrans-62.7-44.9173.9-73.4173.3-178.4-171.90111.2A94 R95 F100 K101 L102A94-K98 VanDerWaalsContact O-CG 3.25Å; A94-K98 WeakPolarHBondContact O-CG 3.44Å; A94-K98 PolarHBondContact O-N 2.84Å; A94-K98 VanDerWaalsContact O-N 3.14Å; R95-K98 WeakPolarHBondContact O-CB 3.47Å; R95-K98 PolarHBondContact O-N 3.2Å; R95-K98 VanDerWaalsContact O-N 3.11Å; K98-F100 VanDerWaalsContact C-N 3.33Å; K98-F100 PolarHBondContact O-N 2.91Å; K98-K101 PolarHBondContact O-N 3.41Å; K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.86Å
99E83.4Confident78.3Confident119 Ų119114.6 Ų114.656%0.55657%0.565SS**Hα-helixtrans-64-37.1175.8-71178.2-170.900112.1R95 C96 L102 T103R95-E99 WeakPolarHBondContact O-CG 3.3Å; R95-E99 PolarHBondContact O-N 3.15Å; C96-E99 PolarHBondContact O-N 3.19Å; E99-L102 PolarHBondContact O-N 3.04Å; E99-T103 WeakPolarHBondContact O-CB 3.4Å; E99-T103 WeakPolarHBondContact O-CG2 3.43Å; E99-T103 PolarHBondContact O-N 3.4Å; E99-T103 PolarHBondContact O-OG1 3.46Å
100F77.3Confident76.2Confident136 Ų136115.3 Ų115.360%0.59657%0.57SS**Hα-helixtrans-66.7-39.7174.4-173-101.4000112.2C96 E97 K98 T103 K104C96-F100 VanDerWaalsContact O-CB 3.29Å; C96-F100 WeakPolarHBondContact O-CB 3.45Å; C96-F100 PolarHBondContact O-N 3.48Å; E97-F100 PolarHBondContact O-N 3.06Å; K98-F100 VanDerWaalsContact C-N 3.33Å; K98-F100 PolarHBondContact O-N 2.91Å; F100-T103 VanDerWaalsContact CA-OG1 3.31Å; F100-T103 WeakPolarHBondContact CA-OG1 3.38Å; F100-T103 PolarHBondContact O-OG1 3.32Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å; F100-K104 VanDerWaalsContact O-CB 3.24Å; F100-K104 WeakPolarHBondContact O-CB 3.3Å; F100-K104 PolarHBondContact O-N 2.82Å
101K77.9Confident73.9Confident116 Ų116114.4 Ų114.450%0.50458%0.578SS.*Hα-helixtrans-65.5-41.5173.6-72.7174-175.8172.40111.6E97 K98 T105E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.13Å; E97-K101 WeakPolarHBondContact OE1-CE 3.14Å; E97-K101 IonicContact OE1-NZ 2.65Å; E97-K101 PolarHBondContact OE1-NZ 2.9Å; K98-K101 PolarHBondContact O-N 3.41Å; K101-T105 WeakPolarHBondContact O-CB 3.43Å; K101-T105 PolarHBondContact O-N 2.91Å; K101-T105 PolarHBondContact O-OG1 3.29Å
102L71.7Confident71.9Confident125 Ų125116.6 Ų116.665%0.65459%0.588SS**Hα-helixtrans-65.7-45176.2-69.8171.4000112.2K98 E99 T105 A106K98-L102 VanDerWaalsContact O-CG 3.29Å; K98-L102 WeakPolarHBondContact O-CG 3.33Å; K98-L102 PolarHBondContact O-N 2.86Å; E99-L102 PolarHBondContact O-N 3.04Å; L102-T105 PolarHBondContact O-N 3.2Å; L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 3.45Å
103T67.3Low69.7Low76 Ų76118.3 Ų118.347%0.46660%0.6SS.*Hα-helixtrans-67.2-37.3176.7500000112.3E99 F100 T105 A106 M107E99-T103 WeakPolarHBondContact O-CB 3.4Å; E99-T103 WeakPolarHBondContact O-CG2 3.43Å; E99-T103 PolarHBondContact O-N 3.4Å; E99-T103 PolarHBondContact O-OG1 3.46Å; F100-T103 VanDerWaalsContact CA-OG1 3.31Å; F100-T103 WeakPolarHBondContact CA-OG1 3.38Å; F100-T103 PolarHBondContact O-OG1 3.32Å; F100-T103 VanDerWaalsContact O-OG1 3.06Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.45Å; T103-A106 PolarHBondContact O-N 2.82Å; T103-M107 WeakPolarHBondContact O-CB 3.35Å; T103-M107 WeakPolarHBondContact O-CG 3.29Å; T103-M107 PolarHBondContact O-N 2.97Å
104K66.6Low67.2Low146 Ų146120.3 Ų120.364%0.63561%0.611SS**Hα-helixtrans-62.7-34.5171.9-171.3174-178.8177.80112.3F100 R108F100-K104 VanDerWaalsContact O-CB 3.24Å; F100-K104 WeakPolarHBondContact O-CB 3.3Å; F100-K104 PolarHBondContact O-N 2.82Å; K104-R108 PolarHBondContact O-N 3.36Å
105T60.2Low64.7Low96 Ų96124 Ų12459%0.58964%0.635SS**Hα-helixtrans-74.7-37.7176.3-47.60000111K101 L102 T103 R108 A109K101-T105 WeakPolarHBondContact O-CB 3.43Å; K101-T105 PolarHBondContact O-N 2.91Å; K101-T105 PolarHBondContact O-OG1 3.29Å; L102-T105 PolarHBondContact O-N 3.2Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.45Å; T105-R108 PolarHBondContact O-N 3.31Å; T105-A109 PolarHBondContact O-N 2.98Å; T105-A109 VanDerWaalsContact O-N 3.1Å
106A56.7Low62.4Low50 Ų50125.6 Ų125.641%0.41365%0.646SS.*Hα-helixtrans-69.3-37.1173.200000113.3L102 T103 R108 A109 N110L102-A106 WeakPolarHBondContact O-CB 3.31Å; L102-A106 PolarHBondContact O-N 3.45Å; T103-A106 PolarHBondContact O-N 2.82Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.98Å; A106-A109 PolarHBondContact O-N 3.28Å; A106-N110 WeakPolarHBondContact O-CB 3.34Å; A106-N110 PolarHBondContact O-N 3.46Å
107M57.1Low60.2Low145 Ų145127.3 Ų127.371%0.71466%0.659SS**Hα-helixtrans-67-32.3173.2-67.1-139.592.700111.8T103 N110 S111T103-M107 WeakPolarHBondContact O-CB 3.35Å; T103-M107 WeakPolarHBondContact O-CG 3.29Å; T103-M107 PolarHBondContact O-N 2.97Å; M107-N110 PolarHBondContact O-N 3.49Å; M107-S111 PolarHBondContact O-N 2.95Å
108R53.4Low57.9Low217 Ų217129.8 Ų129.882%0.81967%0.674SS**Hα-helixtrans-70.2-31.5172.3-166.2175.2-175.9-176.90.7112.4K104 T105 A106K104-R108 PolarHBondContact O-N 3.36Å; T105-R108 PolarHBondContact O-N 3.31Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 2.98Å
109A51.8Low55.3Low71 Ų71133 Ų13359%0.58769%0.689SS**Hα-helixtrans-75.6-3417300000112.8T105 A106 S111T105-A109 PolarHBondContact O-N 2.98Å; T105-A109 VanDerWaalsContact O-N 3.1Å; A106-A109 PolarHBondContact O-N 3.28Å; A109-S111 VanDerWaalsContact C-N 3.32Å; A109-S111 PolarHBondContact O-N 3.09Å
110N51.7Low52.8Low130 Ų130135 Ų13570%0.69570%0.704SS**G310 helixtrans-83.11177.5-79-15.8000114.6A106 M107 K112A106-N110 WeakPolarHBondContact O-CB 3.34Å; A106-N110 PolarHBondContact O-N 3.46Å; M107-N110 PolarHBondContact O-N 3.49Å; N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.45Å
111S46.8Very low50.6Low99 Ų99135.1 Ų135.169%0.69272%0.716SS**G310 helixtrans-80.4-1.2176.4-179.90000114.3M107 A109M107-S111 PolarHBondContact O-N 2.95Å; A109-S111 VanDerWaalsContact C-N 3.32Å; A109-S111 PolarHBondContact O-N 3.09Å
112K52.7Low48.5Very low187 Ų187138 Ų13881%0.81374%0.736SS**G310 helixtrans-87.9-11.2-179-94.7179.4175.2177.40115.1N110N110-K112 VanDerWaalsContact C-N 3.29Å; N110-K112 PolarHBondContact O-N 3.45Å
113N50Low46.4Very low126 Ų126140.8 Ų140.867%0.67475%0.745SS**SBendtrans-132.4118.2-176.2-50.5-2.1000108.1
114N42.3Very low44.6Very low167 Ų167146.3 Ų146.389%0.89376%0.763SS**  trans102.158.5177.3-47.5-30.6000116.3
115S40.6Very low43.6Very low119 Ų119144.8 Ų144.883%0.83277%0.768SS**  trans-96.871.6156.653.40000111.1
116K41.9Very low41.9Very low194 Ų194146.2 Ų146.284%0.84378%0.782SS**  trans-145.5118.4164.4-67.9-170.2-178.4175.60111.5
117S39.2Very low40.6Very low108 Ų108146.8 Ų146.876%0.75579%0.793SS**  trans66.7122.8167.176.10000114.8
118L39.7Very low39.3Very low153 Ų153148.9 Ų148.980%0.80180%0.801SS**  -161.588.663.7-72.5166.1000110.8
119F33.3Very low38.7Very low212 Ų212143 Ų14393%0.9379%0.791SS**  trans-13386.1154.3-75.9-71.9000107.4
120N30.7Very low37.6Very low163 Ų163147.2 Ų147.287%0.87280%0.798SS**  trans-152.292168.3-91.1-27000107.6
121T31.4Very low36.6Very low138 Ų138148 Ų14885%0.84780%0.801SS**  trans-161.492.9146-55.60000107.8
122L34Very low36Very low176 Ų176150.2 Ų150.292%0.92180%0.8SS**  trans179.890.1137.1-96.7151.7000107.7
123Q27.8Very low35Very low184 Ų184148 Ų14886%0.8680%0.797SS**  trans-93.4109.2175.5-167.4178.438.400108
124K29.9Very low34.2Very low191 Ų191148.7 Ų148.783%0.8380%0.801SS**  trans55177.2136.4-93.8-178.6-178.9-1750120
125P43.7Very low33.7Very low114 Ų114147.3 Ų147.374%0.7479%0.791SS**  cis-140.3-172.2-21.629.6-6.7000114.5
126S25.9Very low33.3Very low126 Ų126148.6 Ų148.688%0.88179%0.788SS**  trans117.3122.9144.1-158.80000114.9
127G28.7Very low32.8Very low63 Ų63149.2 Ų149.265%0.64979%0.791SS**  cis-164.2151.68.400000113.8
128E29.8Very low32.4Very low188 Ų188152.4 Ų152.488%0.87979%0.793SS**  48.1155.1129.9-133.6143.2-157.600121.9
129P42Very low31.9Very low95 Ų95152.6 Ų152.662%0.61779%0.79SS**  -142.8-171.6-72.846.6-29.2000114
130Q27Very low31.7Very low158 Ų158150 Ų15074%0.73878%0.783SS**  trans73123.3149.5-74.4-174.9-0.100120.3
131I31.6Very low31.8Very low147 Ų147149.5 Ų149.575%0.75478%0.78SS**  -172.8108.8105.2-81.7150.8000103.9
132E35Very low31.7Very low145 Ų145146.5 Ų146.568%0.67878%0.777SS**  57.1119.1108-58.9176.2-174.500110.9
133D31.3Very low31.9Very low140 Ų140148.6 Ų148.675%0.74978%0.779SS**  -164.8136.851.3-91.9-43.5000111.9
134D32.9Very low31.9Very low141 Ų141145.6 Ų145.675%0.75478%0.778SS**  47.6135.5126.7-100.2-8.9000125.3
135M31.8Very low32.2Very low138 Ų138140.6 Ų140.668%0.6877%0.768SS**  trans80.599.1140.8-71.2-172.867.700120.8
136L32.5Very low31.6Very low146 Ų146144.7 Ų144.776%0.76477%0.774SS**  44.5114.5116-61.3172.4000117.2
137K31.6Very low31.6Very low208 Ų208143.2 Ų143.290%0.90477%0.769SS**  -171.8146.6107.7-98163.1-169.3-173.70113.4
138E29.8Very low31.5Very low174 Ų174152.3 Ų152.381%0.81378%0.784SS**  trans-78.1161.9-177.5-169.2173.4-178.900111.7
139E29.4Very low31.4Very low157 Ų157148 Ų14873%0.73477%0.774SS**  trans93.3102147.2-134.1165.4-176.300120.7
140M28.5Very low30.7Very low159 Ų159151 Ų15178%0.78378%0.784SS**  75.6117.8120.6-160.1155171.700121.7
141N33.8Very low30.8Very low152 Ų152149.9 Ų149.981%0.81379%0.788SS**  trans32.4110.2147-82.66.8000120.3
142G28Very low31.1Very low75 Ų75148.4 Ų148.477%0.77379%0.788SS**  trans-161.8118.915000000110.3
143F39.6Very low30.8Very low219 Ų219147.1 Ų147.196%0.96180%0.795SS**  trans-64135.7172.6-71.3-87.8000110.3
144S26.3Very low30.7Very low121 Ų121145.7 Ų145.785%0.84680%0.796SS**  trans-143.6124.6170.5-177.40000111
145S36.2Very low30.4Very low87 Ų87148.6 Ų148.661%0.60881%0.805SS**  trans-113.2162.7171.945.60000109.9
146F31.2Very low30.3Very low200 Ų200152.1 Ų152.188%0.87781%0.811SS**  trans87.5135.5178.3-49.2-66.1000114.4
147A27.1Very low30.1Very low94 Ų94152 Ų15278%0.77781%0.81SS**  cis-165.1155.73.800000109.8
148R25.7Very low29.8Very low255 Ų255150 Ų15096%0.96280%0.803SS**  trans-156.9123.4136.6-146.6170.3-162.1162.55.5111.1
149S27.1Very low29.6Very low96 Ų96149.1 Ų149.167%0.67180%0.804SS**  trans-115.4161.917870.60000111.9
150L28.8Very low29.6Very low159 Ų159145.5 Ų145.583%0.83280%0.796SS**  trans80.189.6155.7-58.2166000120
151V28.5Very low29.6Very low135 Ų135145.4 Ų145.482%0.81880%0.798SS**  16143.2115.4-172.50000116.7
152P38.9Very low29.2Very low116 Ų116146.2 Ų146.275%0.75380%0.796SS**  -152.6169.652.937.1-13.1000122.6
153S26.9Very low29.3Very low117 Ų117151.3 Ų151.382%0.81880%0.797SS**  trans87.1138.8152.380.50000117.6
154S30.5Very low29.1Very low110 Ų110146 Ų14677%0.76979%0.788SS**  cis-158.6128.78.2173.70000108
155E27.1Very low29.2Very low202 Ų202147.2 Ų147.294%0.94478%0.784SS**  trans-119105.8164-169168.2-166.400108.1
156R29Very low29.1Very low212 Ų212151.6 Ų151.680%0.879%0.792SS**  trans-147.6137170.6-158.9-176-110.2169.8-1.8109.4
157L27.9Very low28.9Very low145 Ų145147.9 Ų147.976%0.75979%0.786SS**  trans100.4100.1162.1-51.3177.7000114.7
158H25.3Very low29Very low164 Ų164150 Ų15076%0.75978%0.783SS**  68133.370.3-85.5-97.8000115.6
159L26.4Very low29.2Very low156 Ų156143.6 Ų143.682%0.81777%0.772SS**  trans77.1141.6162.3-87.273.7000116.1
160S28.2Very low29.2Very low81 Ų81146.6 Ų146.657%0.56678%0.781SS**  cis-164.9142.78.441.10000110.8
161L28.7Very low29.1Very low158 Ų158142.5 Ų142.583%0.82778%0.776SS**  trans-63.9124.9154.3178.269.9000108.8
162H26.2Very low29.8Very low168 Ų168141.8 Ų141.878%0.77878%0.775SS**  trans-108.3116.4170.6-107.2-85000111.8
163K30.1Very low29.5Very low182 Ų182143.2 Ų143.279%0.79177%0.771SS**  trans-71.2148.5167.8-70174.3172.5178.20110.4
164S34.1Very low30Very low109 Ų109144.9 Ų144.976%0.76276%0.764SS**  trans-69.9138.4162.352.70000111.8
165D28.9Very low29.9Very low146 Ų146146.2 Ų146.278%0.78176%0.762SS**  trans-155.7166.4143.4-121.1-25.6000111.6
166K34.5Very low30.2Very low179 Ų179142.1 Ų142.178%0.77876%0.756SS**  trans-88169.1-146.4-59.3148.8-176.3176.10116.1
167V26.4Very low30.4Very low122 Ų122137.2 Ų137.274%0.73975%0.754SS**  trans125.2106.6133.7-179.20000117.4
168I30.2Very low30.5Very low139 Ų139135.4 Ų135.471%0.71375%0.754SS**  trans44.7122.4131.6-46.9172.4000120.8
169T29Very low30.8Very low120 Ų120133 Ų13374%0.73676%0.756SS**  174.3120.5113.734.50000114
170N27.5Very low31.9Very low159 Ų159131.2 Ų131.285%0.8575%0.753SS**  trans46.4129137.9-51.7-30.1000124.4
171G27.6Very low32Very low72 Ų72133 Ų13374%0.74277%0.766SS**  trans150.8139.1145.900000114.6
172P42.1Very low32Very low121 Ų121130.7 Ų130.779%0.78676%0.763SS**  trans-117.1175.9-138.327.9-7.9000116.1
173E33.6Very low32.6Very low145 Ų145127.6 Ų127.668%0.67876%0.755SS**  trans118.8118.9139.4-62.8-151.7124.400119.6
174K36.1Very low32.6Very low152 Ų152126.8 Ų126.866%0.66176%0.76SS**  trans67.5146.9149.7-12.9-162.7178.31800115.7
175N29.7Very low32.6Very low138 Ų138131.9 Ų131.974%0.73876%0.764SS**  cis-175.512620.922.96.6000106.4
176S33.4Very low32.6Very low116 Ų116130 Ų13081%0.81177%0.769SS**  80.8132.7107.4-55.30000119.2
177S32Very low32.5Very low109 Ų109125.9 Ų125.976%0.76277%0.768SS**  trans111.1102.3158.171.30000114.9
178S30.8Very low32.9Very low107 Ų107126.2 Ų126.275%0.74878%0.775SS**  59.4119.570.377.80000111.3
179S31.3Very low32.9Very low115 Ų115123 Ų12380%0.80478%0.776SS**  cis-172.4175.141.6-920000112
180P49.3Very low33.8Very low117 Ų117123.1 Ų123.176%0.7678%0.779SS**  trans-117.3-160-161.942.9-29.4000114.5
181S30.4Very low34.2Very low120 Ų120127.7 Ų127.784%0.83979%0.785SS**  trans106.5139.3169.385.90000113.7
182S29.4Very low34.7Very low108 Ų108134 Ų13476%0.75579%0.792SS**  cis-145.4141.233.5-169.80000112.3
183V39.2Very low34.9Very low103 Ų103134.3 Ų134.362%0.62479%0.794SS**  trans-76.2151.7159.7-910000109.5Y185V183-Y185 HydrophobicContact CG1-CD2 4.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.24Å
184D30.2Very low34.7Very low165 Ų165131.2 Ų131.288%0.88280%0.801SS**  trans-152.4125.2132.9-90.6-31.5000109.8
185Y32.4Very low34.7Very low216 Ų216130 Ų13085%0.84781%0.812SS**  trans-95.1145.1175.1-83.9-95.2000109.4V183V183-Y185 HydrophobicContact CG1-CD2 4.45Å; V183-Y185 HydrophobicContact CG1-CE2 4.24Å
186A29.7Very low34.8Very low108 Ų108127 Ų12789%0.89381%0.813SS**  trans-151.3130.5142.200000110.4
187A32.2Very low34.8Very low91 Ų91127.1 Ų127.175%0.75281%0.809SS**  trans-103.9177.4-170.200000112.9
188S35.2Very low34.9Very low129 Ų129130.3 Ų130.390%0.90282%0.817SS**  trans95.3131.9163.580.80000116.1
189G30Very low34.9Very low71 Ų71135.5 Ų135.573%0.73282%0.821SS**  cis-166.4-177.410.500000113.7
190P48.5Very low35Very low123 Ų123133.7 Ų133.780%0.79982%0.82SS**  trans-110.7142.3-159.636.7-26.4000113.7
191R35.3Very low34.2Very low255 Ų255139.7 Ų139.796%0.96283%0.828SS**  trans-152.1128.8153.5-69.2-165.4-176.5145.82.9112
192K37.1Very low34.5Very low204 Ų204145.1 Ų145.189%0.88783%0.83SS**  trans-81.9-163.3166.6-66.3-175172-177.40110.3
193P46.5Very low35.1Very low129 Ų129145.8 Ų145.884%0.83883%0.832SS**  -119.3170-76.235.1-18.6000111.3
194G29.2Very low34.8Very low79 Ų79152.3 Ų152.381%0.81485%0.845SS**  trans-154.4110.5174.700000113.2
195S37.1Very low35Very low128 Ų128148.7 Ų148.790%0.89583%0.833SS**  trans-72.6145.6171.2-1790000110.9
196G31.8Very low35.3Very low75 Ų75144.7 Ų144.777%0.77383%0.831SS**  trans-177.282.917600000113.7
197T33.5Very low35.4Very low118 Ų118148.4 Ų148.472%0.72483%0.827SS**  trans-65.9124.1164.2-540000110.2Y199T197-Y199 HydrophobicContact CG2-CE2 4.41Å
198L34.3Very low35.9Very low175 Ų175150 Ų15092%0.91683%0.83SS**  trans-146.1130.5156.7-88.6172.5000111.3
199Y31.2Very low35.8Very low217 Ų217151.7 Ų151.785%0.85183%0.829SS**  trans-67.2149176-73.3-101.2000112.4T197T197-Y199 HydrophobicContact CG2-CE2 4.41Å
200G32.5Very low36.5Very low76 Ų76153.2 Ų153.278%0.78483%0.828SS**  trans75.892.2138.700000118.4
201R33.4Very low36.1Very low243 Ų243155.6 Ų155.692%0.91783%0.829SS**  trans-155115142.3-158.5174.7-87.7-115.43.3111.5P203R201-P203 WeakPolarHBondContact O-CD 3.16Å
202R36.6Very low36.2Very low235 Ų235155 Ų15589%0.88783%0.826SS**PPolyproline II helixtrans-76125.3171.1-172.8-177.4-166.61673.7109.3
203P40.4Very low36.2Very low122 Ų122154.9 Ų154.979%0.79283%0.826SS**PPolyproline II helixtrans-86130.3165.4-9.828.2000110.3R201R201-P203 WeakPolarHBondContact O-CD 3.16Å
204R34.7Very low35.9Very low239 Ų239156.9 Ų156.990%0.90283%0.825SS**PPolyproline II helixtrans-75.4134.5173.3-160.3176.9-71.2-147.70.2108.3
205S34.1Very low36.7Very low89 Ų89160.3 Ų160.362%0.62282%0.823SS**  trans-30126.6173.1171.70000115.7
206T37Very low36.8Very low133 Ų133159.6 Ų159.682%0.81681%0.813SS**  trans-148.1110.2147.7-53.40000107.3
207F33.8Very low37.6Very low185 Ų185162.6 Ų162.681%0.81181%0.81SS**  trans-78.1137.5173.1-68.2-87.7000109.9
208P42.7Very low38.6Very low124 Ų124161.4 Ų161.481%0.80581%0.807SS**  trans-118121.7134.931.3-21.9000109.5
209N32.6Very low39.7Very low166 Ų166161.9 Ų161.989%0.88880%0.801SS**  trans-73.9124.6176.1-166.3-0.9000109.3
210S44.4Very low41.2Very low102 Ų102155.2 Ų155.271%0.71379%0.791SS**  trans142.175.4158.4174.60000111.1
211H39.6Very low42.5Very low173 Ų173156.3 Ų156.380%0.80178%0.784SS**  trans-140.2123.2145.7-119.6-85000107.9F213H211-F213 PolarHBondContact O-N 2.99Å
212R37Very low43.8Very low242 Ų242150.3 Ų150.391%0.91378%0.78SS**  trans-40.8114.2165.9-85.1171.9155.9156.8-7.2108.6E214R212-E214 PolarHBondContact O-N 3.2Å
213F38.1Very low45.7Very low203 Ų203141.2 Ų141.289%0.8976%0.759SS**  trans-69.386.7162.1-66.6-83000106.7H211 L215H211-F213 PolarHBondContact O-N 2.99Å; F213-L215 VanDerWaalsContact C-N 3.29Å; F213-L215 PolarHBondContact O-N 3.33Å
214E39.6Very low47.6Very low171 Ų171139.7 Ų139.780%0.79974%0.744SS**  trans-63.2102.7156.4-164.4164.4-15600105R212 V216R212-E214 PolarHBondContact O-N 3.2Å; E214-V216 HydrophobicContact CG-CG2 4.38Å; E214-V216 PolarHBondContact O-N 2.83Å
215L45.3Very low49.6Very low151 Ų151134 Ų13479%0.79173%0.731SS**  trans-62.778.3168.5-83.9158.4000107.1F213 I217F213-L215 VanDerWaalsContact C-N 3.29Å; F213-L215 PolarHBondContact O-N 3.33Å; L215-I217 PolarHBondContact O-N 2.95Å
216V41.1Very low51.7Low112 Ų112134.8 Ų134.868%0.67973%0.728SS**  trans-66.889.9154.7-178.30000103.8E214 S218E214-V216 HydrophobicContact CG-CG2 4.38Å; E214-V216 PolarHBondContact O-N 2.83Å; V216-S218 PolarHBondContact O-N 3.39Å
217I47.7Very low53.5Low138 Ų138134.1 Ų134.171%0.70872%0.719SS**  trans-6377.8158.5-55.3170.7000104L215 K219L215-I217 PolarHBondContact O-N 2.95Å; I217-K219 VanDerWaalsContact C-N 3.28Å; I217-K219 PolarHBondContact O-N 3.34Å
218S53.5Low55.8Low94 Ų94129.9 Ų129.966%0.65770%0.7SS**  trans-57.5106.3162.855.40000103.2V216 A220V216-S218 PolarHBondContact O-N 3.39Å; S218-A220 PolarHBondContact O-N 3.33Å
219K59.1Low57.3Low185 Ų185128.4 Ų128.480%0.80468%0.683SS**  trans-47.6104.7-174.4-73.2-160.3172.9-174.10107.8I217I217-K219 VanDerWaalsContact C-N 3.28Å; I217-K219 PolarHBondContact O-N 3.34Å
220A61Low59.3Low76 Ų76121.9 Ų121.963%0.62865%0.652SS**  trans-53.9128.6167.400000104.5S218 S222S218-A220 PolarHBondContact O-N 3.33Å; A220-S222 PolarHBondContact O-N 2.89Å
221P60.7Low60.6Low99 Ų99126.3 Ų126.364%0.64366%0.661SS**  trans-48.2109.4-173.8-27.532.5000108.6G223 K228P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.14Å; P221-K228 WeakPolarHBondContact O-CE 3.49Å; P221-K228 PolarHBondContact O-NZ 2.92Å
222S61.3Low62.1Low118 Ų118124.6 Ų124.683%0.82566%0.657SS**  trans-77.888.8-17054.40000107.2A220A220-S222 PolarHBondContact O-N 2.89Å
223G76.7Confident63.6Low44 Ų44118.2 Ų118.245%0.45464%0.636SS.*SBendtrans-166.4152.2-179.700000109.4P221 K228P221-G223 VanDerWaalsContact C-N 3.32Å; P221-G223 PolarHBondContact O-N 3.14Å; G223-K228 VanDerWaalsContact O-CE 3.3Å; G223-K228 WeakPolarHBondContact O-CE 3.44Å
224D79.8Confident65.3Low90 Ų90114.1 Ų114.148%0.48163%0.633SS.*  trans-54.9140.6173.2-170.9-4.5000109.4L226 D227 K228D224-L226 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact OD1-N 2.75Å; D224-D227 HydrophobicContact CB-CB 4.27Å; D224-D227 PolarHBondContact O-N 3.07Å; D224-D227 VanDerWaalsContact O-N 3.13Å; D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.82Å
225L77.5Confident66.5Low119 Ų119110.8 Ų110.862%0.62362%0.62SS**Hα-helixtrans-59.5-30.8175.3-85.7162.5000111.3K228 H229L225-K228 HydrophobicContact CD2-CD 4.39Å; L225-H229 PolarHBondContact O-CD2 3.5Å; L225-H229 VanDerWaalsContact O-CD2 3.31Å
226L76.8Confident67.3Low106 Ų106112.6 Ų112.656%0.55562%0.622SS**Hα-helixtrans-68.4-39.7175.4-61179.8000112D224 K228 H229 A230 F233D224-L226 PolarHBondContact O-N 3.44Å; D224-L226 PolarHBondContact OD1-N 2.75Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.89Å; L226-H229 CarbonylContact O-C 3.37Å; L226-H229 PolarHBondContact O-N 3.38Å; L226-A230 PolarHBondContact O-N 2.94Å; L226-A230 VanDerWaalsContact O-N 3.07Å; L226-F233 HydrophobicContact CD2-CZ 4.15Å
227D76.3Confident68.5Low118 Ų118115.6 Ų115.663%0.63163%0.629SS**Hα-helixtrans-66.4-36.2177.7-74.5-26.9000112.4D224 H229 A230D224-D227 HydrophobicContact CB-CB 4.27Å; D224-D227 PolarHBondContact O-N 3.07Å; D224-D227 VanDerWaalsContact O-N 3.13Å; D227-H229 PolarHBondContact O-N 3.44Å; D227-A230 VanDerWaalsContact O-CB 3.32Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.48Å
228K81.1Confident69.4Low97 Ų97114.9 Ų114.942%0.42263%0.625SS.*Hα-helixtrans-62-27.6176.3-68.3175-172.71770113P221 G223 D224 L225 L226P221-K228 WeakPolarHBondContact O-CE 3.49Å; P221-K228 PolarHBondContact O-NZ 2.92Å; G223-K228 VanDerWaalsContact O-CE 3.3Å; G223-K228 WeakPolarHBondContact O-CE 3.44Å; D224-K228 WeakPolarHBondContact O-CG 3.39Å; D224-K228 PolarHBondContact O-N 2.82Å; L225-K228 HydrophobicContact CD2-CD 4.39Å; L226-K228 VanDerWaalsContact C-N 3.34Å; L226-K228 PolarHBondContact O-N 2.89Å
229H73.6Confident70Confident93 Ų93115.4 Ų115.443%0.43163%0.627SS.*THydrogen-bonded Turntrans-113.620.7-178.2-65.7-56.3000111.7L225 L226 D227 E231 L232 F233L225-H229 PolarHBondContact O-CD2 3.5Å; L225-H229 VanDerWaalsContact O-CD2 3.31Å; L226-H229 CarbonylContact O-C 3.37Å; L226-H229 PolarHBondContact O-N 3.38Å; D227-H229 PolarHBondContact O-N 3.44Å; H229-E231 PolarHBondContact O-N 3.42Å; H229-E231 VanDerWaalsContact O-N 3.08Å; H229-L232 HydrophobicContact CB-CB 4.42Å; H229-L232 HydrophobicContact CB-CD1 3.87Å; H229-L232 HydrophobicContact CB-CG 4.2Å; H229-L232 WeakPolarHBondContact O-CA 3.47Å; H229-L232 VanDerWaalsContact O-CB 3.3Å; H229-L232 WeakPolarHBondContact O-CB 3.23Å; H229-L232 PolarHBondContact O-N 2.93Å; H229-F233 HydrophobicContact CB-CE2 4.48Å; H229-F233 VanDerWaalsContact O-CD2 3.23Å; H229-F233 WeakPolarHBondContact O-CD2 3.3Å
230A76Confident70.5Confident29 Ų29114.5 Ų114.524%0.2462%0.623CS.*G310 helixtrans-56.3-29.3-179.600000112.9L226 D227 L232 F233L226-A230 PolarHBondContact O-N 2.94Å; L226-A230 VanDerWaalsContact O-N 3.07Å; D227-A230 VanDerWaalsContact O-CB 3.32Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.48Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.48Å; A230-F233 PolarHBondContact O-N 3.29Å
231E71.4Confident70.7Confident195 Ų195116.3 Ų116.391%0.91163%0.626SS**G310 helixtrans-72.3-18.7175.5-61179.2-178.200113.5H229 F233H229-E231 PolarHBondContact O-N 3.42Å; H229-E231 VanDerWaalsContact O-N 3.08Å; E231-F233 VanDerWaalsContact C-N 3.31Å
232L70.9Confident70.9Confident137 Ų137115.7 Ų115.772%0.71762%0.623SS**G310 helixtrans-83-9.1176.1-58.3-177000112.7H229 A230H229-L232 HydrophobicContact CB-CB 4.42Å; H229-L232 HydrophobicContact CB-CD1 3.87Å; H229-L232 HydrophobicContact CB-CG 4.2Å; H229-L232 WeakPolarHBondContact O-CA 3.47Å; H229-L232 VanDerWaalsContact O-CB 3.3Å; H229-L232 WeakPolarHBondContact O-CB 3.23Å; H229-L232 PolarHBondContact O-N 2.93Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 3.48Å
233F69.1Low71.2Confident108 Ų108121.2 Ų121.247%0.47463%0.625SS.*SBendtrans-98.3130.3176-64.1-82.9000110.4L226 H229 A230 E231 N235L226-F233 HydrophobicContact CD2-CZ 4.15Å; H229-F233 HydrophobicContact CB-CE2 4.48Å; H229-F233 VanDerWaalsContact O-CD2 3.23Å; H229-F233 WeakPolarHBondContact O-CD2 3.3Å; A230-F233 PolarHBondContact O-N 3.29Å; E231-F233 VanDerWaalsContact C-N 3.31Å; F233-N235 PolarHBondContact O-N 2.82Å
234S72.5Confident70.6Confident117 Ų117124.8 Ų124.882%0.81864%0.638SS**SBendtrans-73.5114.3171.767.10000109.8
235N64.7Low69.5Low100 Ų100127.8 Ų127.854%0.53565%0.653SS.*  trans58.2119.3169.4-159.2-17.1000116.3F233 Q237F233-N235 PolarHBondContact O-N 2.82Å; N235-Q237 PolarHBondContact O-N 3.08Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; N235-Q237 PolarHBondContact OD1-N 3.24Å
236K63.3Low69Low190 Ų190131.9 Ų131.983%0.82667%0.666SS**THydrogen-bonded Turntrans-70.7-5.4-176.4-58.9-176.6-179.8-1740114.8
237Q65.4Low68.5Low175 Ų175131.7 Ų131.782%0.81867%0.67SS**THydrogen-bonded Turntrans-108.4-7.1-172.5-99.5162.3-4.900115.1N235N235-Q237 PolarHBondContact O-N 3.08Å; N235-Q237 VanDerWaalsContact O-N 3.13Å; N235-Q237 PolarHBondContact OD1-N 3.24Å
238L65.9Low68.4Low122 Ų122135.5 Ų135.564%0.63968%0.684SS**SBendtrans-109.7135.6177.4-70.9163.9000109.6F240L238-F240 PolarHBondContact O-N 3.39Å
239P67.3Low68.1Low106 Ų106134.7 Ų134.769%0.68870%0.695SS**  trans-58.4135.217225.4-32.2000108.8T241P239-T241 PolarHBondContact O-N 2.85Å; P239-T241 PolarHBondContact O-OG1 3.13Å; P239-T241 VanDerWaalsContact O-OG1 3.08Å
240F68.3Low68.3Low166 Ų166138.6 Ų138.673%0.72871%0.711SS**  trans-52.4104.5175.7172.5-101.6000109.3L238 P242L238-F240 PolarHBondContact O-N 3.39Å; F240-P242 HydrophobicContact CE1-CB 3.83Å; F240-P242 HydrophobicContact CE1-CG 4.31Å; F240-P242 HydrophobicContact CZ-CB 4.13Å; F240-P242 WeakPolarHBondContact O-CD 3.25Å
241T65.9Low68.5Low113 Ų113140.2 Ų140.269%0.69372%0.721SS**  trans-95.4107.8173.1-21.90000105.5P239 R243P239-T241 PolarHBondContact O-N 2.85Å; P239-T241 PolarHBondContact O-OG1 3.13Å; P239-T241 VanDerWaalsContact O-OG1 3.08Å; T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3Å
242P64.3Low68.9Low87 Ų87138.8 Ų138.857%0.56571%0.712SS**  trans-63.198.1175.825.1-31.9000107.5F240 T244F240-P242 HydrophobicContact CE1-CB 3.83Å; F240-P242 HydrophobicContact CE1-CG 4.31Å; F240-P242 HydrophobicContact CZ-CB 4.13Å; F240-P242 WeakPolarHBondContact O-CD 3.25Å; P242-T244 PolarHBondContact O-N 2.77Å
243R67.8Low69.4Low234 Ų234137 Ų13788%0.88370%0.703SS**  trans-72.590.6173.4-157.2172.9-170.2165.25.3105.3T241 L245T241-R243 VanDerWaalsContact C-N 3.28Å; T241-R243 PolarHBondContact O-N 3Å; R243-L245 PolarHBondContact O-N 3.28Å
244T65Low69.9Low118 Ų118135 Ų13572%0.72470%0.701SS**  trans-53112.716738.10000106P242 K246P242-T244 PolarHBondContact O-N 2.77Å; T244-K246 PolarHBondContact O-N 2.84Å
245L57Low70.3Confident153 Ų153136 Ų13680%0.80169%0.693SS**  trans-50.7111.2174.2-116.1156.3000105.7R243 T247R243-L245 PolarHBondContact O-N 3.28Å; L245-T247 PolarHBondContact O-N 2.83Å
246K65.3Low71.5Confident206 Ų206137.4 Ų137.490%0.89669%0.692SS**  trans-67.285.4177.5-68-169.7178.5-176.80106.6T244T244-K246 PolarHBondContact O-N 2.84Å
247T67.8Low72.6Confident102 Ų102139.7 Ų139.763%0.62670%0.695SS**  trans-79.3141.9169.455.20000107.3L245 A249L245-T247 PolarHBondContact O-N 2.83Å; T247-A249 PolarHBondContact O-N 3.38Å
248E73.8Confident73.8Confident197 Ų197140.4 Ų140.492%0.92169%0.692SS**  trans-71.717.6174.659.5-174161.200113.2K250E248-K250 PolarHBondContact O-N 3.39Å
249A73.8Confident74.9Confident81 Ų81139.8 Ų139.867%0.66968%0.682SS**  trans-66.7113.6-178.500000110.3T247T247-A249 PolarHBondContact O-N 3.38Å
250K78.6Confident75.8Confident174 Ų174140.4 Ų140.476%0.75768%0.684SS**  trans-76.8131.2172.1-64.2177.9-177.8172.70108.9E248 F252E248-K250 PolarHBondContact O-N 3.39Å; K250-F252 PolarHBondContact O-N 3.28Å
251S79.8Confident76.3Confident64 Ų64135.7 Ų135.745%0.44867%0.67SS.*  trans-60133.4174.9167.70000110.7L253 S254S251-L253 PolarHBondContact O-N 2.8Å; S251-L253 WeakPolarHBondContact OG-CB 3.28Å; S251-L253 PolarHBondContact OG-N 3.32Å; S251-S254 WeakPolarHBondContact O-CB 3.21Å; S251-S254 PolarHBondContact O-N 3.39Å; S251-S254 PolarHBondContact O-OG 2.96Å
252F80.1Confident76.9Confident165 Ų165134.9 Ų134.972%0.72468%0.675SS**G310 helixtrans-55.3-32.1173.2-178.7-100.5000112.2K250 S254 Q255K250-F252 PolarHBondContact O-N 3.28Å; F252-S254 VanDerWaalsContact C-N 3.25Å; F252-S254 PolarHBondContact O-N 2.99Å; F252-Q255 WeakPolarHBondContact O-CB 3.47Å; F252-Q255 PolarHBondContact O-N 3.07Å
253L81.6Confident77.3Confident100 Ų100140.3 Ų140.352%0.52469%0.689SS.*G310 helixtrans-61.8-32.4175.2-72.9150.1000112.5S251 Q255 Y256 Y259S251-L253 PolarHBondContact O-N 2.8Å; S251-L253 WeakPolarHBondContact OG-CB 3.28Å; S251-L253 PolarHBondContact OG-N 3.32Å; L253-Q255 PolarHBondContact O-N 3.13Å; L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 PolarHBondContact O-N 2.87Å; L253-Y259 HydrophobicContact CB-CD1 4.28Å; L253-Y259 HydrophobicContact CB-CE1 4.43Å; L253-Y259 HydrophobicContact CB-CG 4.46Å; L253-Y259 VanDerWaalsContact O-CB 3.32Å; L253-Y259 WeakPolarHBondContact O-CB 3.34Å; L253-Y259 WeakPolarHBondContact O-CD1 3.28Å
254S78.9Confident77.6Confident64 Ų64139.6 Ų139.645%0.44869%0.687SS.*G310 helixtrans-65.4-18.3176.871.50000113.5S251 F252S251-S254 WeakPolarHBondContact O-CB 3.21Å; S251-S254 PolarHBondContact O-N 3.39Å; S251-S254 PolarHBondContact O-OG 2.96Å; F252-S254 VanDerWaalsContact C-N 3.25Å; F252-S254 PolarHBondContact O-N 2.99Å
255Q81.3Confident77.4Confident138 Ų138143.2 Ų143.265%0.64569%0.692SS**G310 helixtrans-91.7-7.8176.4-58.3177.8-0.500112.3F252 L253F252-Q255 WeakPolarHBondContact O-CB 3.47Å; F252-Q255 PolarHBondContact O-N 3.07Å; L253-Q255 PolarHBondContact O-N 3.13Å
256Y90.4Very high77.6Confident131 Ų131144.8 Ų144.851%0.51469%0.693SS.*  trans-79.7129.2-176.2-166.6-117.5000111.3L253 Y258 Y259L253-Y256 WeakPolarHBondContact O-CB 3.41Å; L253-Y256 PolarHBondContact O-N 2.87Å; Y256-Y258 HydrophobicContact CD1-CD2 4.29Å; Y256-Y258 AromaticContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CG 4.14Å; Y256-Y258 HydrophobicContact CE2-CD2 4.4Å; Y256-Y258 AromaticContact CZ-CD2 3.63Å; Y256-Y258 PolarHBondContact O-N 3.45Å; Y256-Y258 VanDerWaalsContact O-N 3.14Å; Y256-Y259 PolarHBondContact O-N 2.9Å
257R86.4Confident76.9Confident237 Ų237141.6 Ų141.689%0.89469%0.686SS**THydrogen-bonded Turntrans-59.2-30.4-172.7-71-175.9176-174.4-1.4114.4
258Y89.4Confident75.8Confident190 Ų190146.6 Ų146.675%0.74570%0.699SS**THydrogen-bonded Turntrans-95.2-1.1-178.1-54-79.1000112.8Y256Y256-Y258 HydrophobicContact CD1-CD2 4.29Å; Y256-Y258 AromaticContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CD2 3.57Å; Y256-Y258 HydrophobicContact CE1-CG 4.14Å; Y256-Y258 HydrophobicContact CE2-CD2 4.4Å; Y256-Y258 AromaticContact CZ-CD2 3.63Å; Y256-Y258 PolarHBondContact O-N 3.45Å; Y256-Y258 VanDerWaalsContact O-N 3.14Å
259Y89.4Confident74Confident110 Ų110141.4 Ų141.443%0.43169%0.69SS.*  trans-94.9114.1177.9-176.8-107.3000110.3L253 Y256 P261L253-Y259 HydrophobicContact CB-CD1 4.28Å; L253-Y259 HydrophobicContact CB-CE1 4.43Å; L253-Y259 HydrophobicContact CB-CG 4.46Å; L253-Y259 VanDerWaalsContact O-CB 3.32Å; L253-Y259 WeakPolarHBondContact O-CB 3.34Å; L253-Y259 WeakPolarHBondContact O-CD1 3.28Å; Y256-Y259 PolarHBondContact O-N 2.9Å; Y259-P261 HydrophobicContact CD1-CB 4.5Å; Y259-P261 HydrophobicContact CE1-CB 3.74Å; Y259-P261 HydrophobicContact CE1-CG 4.29Å; Y259-P261 WeakPolarHBondContact O-CD 3.46Å
260T86.7Confident72.6Confident119 Ų119145.4 Ų145.473%0.7370%0.7SS**  trans-106.3103.4171.8-55.80000108.1
261P79.1Confident70.6Confident67 Ų67145.6 Ų145.644%0.43570%0.703SS.*  trans-63.5146.1179.224-31.4000110.7Y259 K263Y259-P261 HydrophobicContact CD1-CB 4.5Å; Y259-P261 HydrophobicContact CE1-CB 3.74Å; Y259-P261 HydrophobicContact CE1-CG 4.29Å; Y259-P261 WeakPolarHBondContact O-CD 3.46Å; P261-K263 PolarHBondContact O-N 2.96Å; P261-K263 VanDerWaalsContact O-N 3.14Å
262A78.8Confident69.1Low96 Ų96154.5 Ų154.579%0.79373%0.727SS**  trans-58.4118.1176.100000110.3R264A262-R264 PolarHBondContact O-N 3.44Å; A262-R264 VanDerWaalsContact O-N 3.12Å
263K72.9Confident67.1Low200 Ų200154 Ų15487%0.8773%0.73SS**  trans-73.9103.1177.7-66.8-166178.2-176.70109P261P261-K263 PolarHBondContact O-N 2.96Å; P261-K263 VanDerWaalsContact O-N 3.14Å
264R74.4Confident65Low220 Ų220157.1 Ų157.183%0.8374%0.742SS**  trans-70.8130.4164.4-64.4-167.5-66.9149.2-1.3108.1A262 K266A262-R264 PolarHBondContact O-N 3.44Å; A262-R264 VanDerWaalsContact O-N 3.12Å; R264-K266 PolarHBondContact O-N 2.79Å
265K60.1Low63Low194 Ų194158.2 Ų158.284%0.84376%0.755SS**  trans-60.1121.8174.5-71.3-124.1177.6176.60108D267K265-D267 PolarHBondContact O-N 3.12Å
266K61.7Low60.9Low185 Ų185159 Ų15980%0.80476%0.759SS**  trans-91.891.1178.7-172.5175.5-175.8-177.70106.3R264 F268R264-K266 PolarHBondContact O-N 2.79Å; K266-F268 PolarHBondContact O-N 3.2Å
267D48.9Very low58.1Low140 Ų140159.1 Ų159.175%0.74977%0.773SS**  trans-67.7129.2168.1-61.4-39.4000107.7K265 A269K265-D267 PolarHBondContact O-N 3.12Å; D267-A269 PolarHBondContact O-N 3.39Å
268F45.1Very low55.7Low207 Ų207155 Ų15591%0.90876%0.764SS**SBendtrans-68.799.7-179.4-71.2-90.3000109.4K266K266-F268 PolarHBondContact O-N 3.2Å
269A37.3Very low53.1Low88 Ų88152 Ų15273%0.72777%0.766SS**  trans-155.9107.215400000109.2D267 Q271D267-A269 PolarHBondContact O-N 3.39Å; A269-Q271 PolarHBondContact O-N 3.06Å
270D44.2Very low50.2Low164 Ų164154.8 Ų154.888%0.87778%0.783SS**  trans-64.999.3158.8-94.1-29.9000108
271Q36.9Very low47.8Very low178 Ų178156.2 Ų156.283%0.83279%0.785SS**  trans-163.3132.4144.9-109.2159.372.300110.4A269 I273A269-Q271 PolarHBondContact O-N 3.06Å; Q271-I273 PolarHBondContact O-N 3.32Å
272R46.5Very low45.3Very low252 Ų252157.5 Ų157.595%0.95180%0.796SS**  trans-49.9104.1177.6-68.8171.8168.4-126.2-0.1111.2
273I38Very low43Very low153 Ų153161.6 Ų161.679%0.78580%0.796SS**  trans-140.8137162.9-56.8-178.7000108.7Q271Q271-I273 PolarHBondContact O-N 3.32Å
274E37.6Very low41Very low166 Ų166161.3 Ų161.378%0.77680%0.795SS**  trans-50.7132.4177.5-76.7164.213700112.1
275A37.8Very low38.8Very low87 Ų87156.2 Ų156.272%0.71979%0.793SS**  trans-96.990.2162.100000107T277A275-T277 PolarHBondContact O-N 2.91Å
276E36.9Very low37.2Very low154 Ų154156.2 Ų156.272%0.7280%0.796SS**  trans-61.8116.2158.3-66.7-179.7149.400107.7Q278E276-Q278 PolarHBondContact O-N 3.49Å
277T31.8Very low35.7Very low134 Ų134154.8 Ų154.882%0.82280%0.797SS**  trans-86.687.9163.547.20000107.5A275A275-T277 PolarHBondContact O-N 2.91Å
278Q36.7Very low34.7Very low151 Ų151151.6 Ų151.671%0.70680%0.797SS**  trans-83117.4155.2-71-175.1-3.900107.7E276 E280E276-Q278 PolarHBondContact O-N 3.49Å; Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 2.95Å
279T34.8Very low33.8Very low128 Ų128147.8 Ų147.879%0.78579%0.79SS**  trans-80.884.7164-520000106.9
280E27.8Very low33.4Very low168 Ų168147.7 Ų147.779%0.78579%0.79SS**  trans-112.9110154.2-77-165.2170.200107.4Q278 S282Q278-E280 VanDerWaalsContact C-N 3.31Å; Q278-E280 PolarHBondContact O-N 2.95Å; E280-S282 PolarHBondContact O-N 3.4Å
281L37.4Very low32.7Very low148 Ų148148.6 Ų148.678%0.77579%0.789SS**  trans-70.191.2175.4-73.2164.2000108.6F283L281-F283 HydrophobicContact CD2-CE2 4.34Å
282S25Very low32.4Very low94 Ų94145.4 Ų145.466%0.65778%0.782SS**  trans-102.499.1163.3-164.80000109E280 K284E280-S282 PolarHBondContact O-N 3.4Å; S282-K284 PolarHBondContact O-N 3.22Å
283F30.4Very low31.9Very low183 Ų183142 Ų14280%0.80377%0.773SS**  trans-72.799.7166.1-78-88.6000108.6L281L281-F283 HydrophobicContact CD2-CE2 4.34Å
284K31.7Very low31.7Very low193 Ų193142.4 Ų142.484%0.83978%0.777SS**  trans-108.1100.1156.9-69.2-67-176.4-177.40107.3S282S282-K284 PolarHBondContact O-N 3.22Å
285S27.2Very low31.4Very low113 Ų113140.3 Ų140.379%0.7978%0.776SS**  trans-11393165.7-1760000107.5
286E28Very low31.1Very low194 Ų194143.2 Ų143.291%0.90779%0.785SS**  trans-83.2105.6168.3-154.6166.7-149.100106.7G288E286-G288 PolarHBondContact O-N 3.05Å
287L29.1Very low30.7Very low156 Ų156144.2 Ų144.282%0.81779%0.789SS**  trans-79.497.2174.718065.8000108.2
288G27.8Very low31.1Very low73 Ų73143.4 Ų143.475%0.75379%0.79SS**  trans-86.2116.8166.400000110.7E286E286-G288 PolarHBondContact O-N 3.05Å
289T26.6Very low30.8Very low126 Ų126144.8 Ų144.877%0.77380%0.796SS**  trans-86.1135.1177.8-30.30000111.1
290A30Very low30.6Very low87 Ų87146.5 Ų146.572%0.71980%0.797SS**  trans59.5126149.100000121.5
291E29.3Very low30.7Very low183 Ų183145 Ų14586%0.85579%0.794SS**  trans-172.195.8132.5-102.3174.6-16500108.9
292T28.9Very low30.8Very low111 Ų111145.9 Ų145.968%0.68180%0.798SS**  63.7123.8105.858.60000119.3
293K37.6Very low31.3Very low179 Ų179150.5 Ų150.578%0.77881%0.806SS**  trans81.7111.9149.3-63.1164-172.3179.80118.5
294N33.1Very low31.4Very low162 Ų162151 Ų15187%0.86681%0.811SS**  -171.9147.590.3-86.6-48.2000112.8
295V30.5Very low31.1Very low123 Ų123145.9 Ų145.975%0.74581%0.805SS**  trans-78.8137.7-176.7171.20000110.7
296T32.9Very low31.5Very low148 Ų148145.6 Ų145.691%0.90880%0.803SS**  trans-148.5124.1142.2-49.70000109.4
297E29Very low31.4Very low174 Ų174143.4 Ų143.481%0.81380%0.798SS**  trans-85.7140.2-173.6-167.1170.8-146.600110.5
298S39.5Very low31.2Very low118 Ų118141 Ų14183%0.82579%0.793SS**  trans-162.898.5146.746.50000111
299E31.2Very low31.2Very low180 Ų180141.9 Ų141.984%0.84178%0.783SS**  18.7117.7129.8-109175.116800118.3
300M30.7Very low31.5Very low164 Ų164141.8 Ų141.881%0.80878%0.783SS**  159.2131.684.965.6-179.6161.200112.9
301N29.6Very low31.6Very low136 Ų136147.9 Ų147.973%0.72779%0.788SS**  trans54.5113.3147.6-67.3-54.5000120.6
302I37.9Very low31.7Very low167 Ų167146.9 Ų146.986%0.85679%0.789SS**  -166.4134.491.1-86.4156.5000109.3
303K35.6Very low31.8Very low191 Ų191146.5 Ų146.583%0.8380%0.797SS**  trans-61.7135.2173.8-58.8164.8178.8177.60110.1
304Q33.1Very low31.9Very low192 Ų192147.4 Ų147.490%0.89780%0.801SS**  -168.6118112.8-165.1157.9-1.900110
305A25.4Very low31.9Very low86 Ų86149.1 Ų149.171%0.71180%0.804SS**  trans-74.3146.5175.600000111.5
306S35.1Very low32Very low107 Ų107152.7 Ų152.775%0.74881%0.809SS**  172.2106.2120.859.60000106.3
307N25.6Very low31.9Very low149 Ų149153.8 Ų153.880%0.79781%0.808SS**  35.6127.176.3-71.3-6.1000110.7
308C25.2Very low31.9Very low106 Ų106149.6 Ų149.672%0.71680%0.803SS**  cis174.9171.321.746.70000107.7
309V28.1Very low32.5Very low90 Ų90149.5 Ų149.555%0.54580%0.8SS.*  trans85.8102.1142.4178.10000118.3Y311V309-Y311 HydrophobicContact CG1-CD2 3.87Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å
310T34.3Very low32.4Very low125 Ų125148.9 Ų148.977%0.76780%0.801SS**  trans-17.4132.8131.647.90000117
311Y30.6Very low32.8Very low214 Ų214146.2 Ų146.284%0.83980%0.796SS**  trans-139.4121.1145.8-80-76.4000110.6V309V309-Y311 HydrophobicContact CG1-CD2 3.87Å; V309-Y311 HydrophobicContact CG1-CE2 3.37Å
312D31.9Very low32.7Very low162 Ų162147.4 Ų147.487%0.86680%0.801SS**  trans-58.7140.8151.5-74.3-52.1000110
313A31.3Very low32.1Very low103 Ų103148.1 Ų148.185%0.85180%0.801SS**  trans-145.1110.6156.500000109.8
314K40Very low31.6Very low199 Ų199141.8 Ų141.887%0.86579%0.79SS**  trans-73.5137.3163.8-59.2175.1179.5-179.40107.8
315E31.4Very low31.4Very low197 Ų197141.5 Ų141.592%0.92179%0.789SS**  trans-147.2133.1148.1-122.5175.5-166.500111.9
316K33.6Very low31.6Very low198 Ų198144.5 Ų144.586%0.86179%0.792SS**  trans-92.2135.9-178.9-65.4165.6169.6177.60107.9
317I31Very low31.6Very low172 Ų172146.2 Ų146.288%0.88279%0.792SS**  trans-139.3125.9144.7-54.8179.9000107.5
318A29.6Very low31.8Very low85 Ų85144.9 Ų144.970%0.70279%0.79SS**  trans-121.4-174.5171.200000108
319P50.4Low32.1Very low117 Ų117150.4 Ų150.476%0.7680%0.796SS**  -119-172.8-94.834.4-15.9000111.3
320L29.3Very low32.1Very low166 Ų166152.8 Ų152.887%0.86981%0.806SS**  trans177.7164.3151-99.5164.9000112.4
321P38.9Very low32.1Very low108 Ų108155.4 Ų155.470%0.70181%0.809SS**  -131.7173-106.545.2-29.9000115.6
322L27.4Very low32.1Very low161 Ų161153.4 Ų153.484%0.84381%0.811SS**  trans-170.696.5147.2-154.666.4000108.7
323Q27.2Very low32.3Very low183 Ų183153.7 Ų153.786%0.85581%0.805SS**  56.1110.186.9-163.2159.831.900117
324G25.1Very low32.4Very low58 Ų58155.5 Ų155.560%0.59880%0.8SS**  trans99.2111134.200000117.6
325H27.1Very low31.9Very low186 Ų186153.9 Ų153.986%0.86180%0.801SS**  172.9135.186.4-91.9-76.4000111.9
326D31.6Very low31.8Very low148 Ų148148.1 Ų148.179%0.79179%0.787SS**  trans-64.8137.5169.9-53.4-66.5000111.5
327L34.5Very low32.1Very low143 Ų143145.3 Ų145.375%0.74978%0.781SS**  trans-139.7103.5161.9-76.5175000111.4
328T30Very low32.3Very low122 Ų122145.4 Ų145.475%0.74878%0.778SS**  trans-45.5131.9154.1-45.60000111.3
329W29.9Very low32.3Very low221 Ų221149.9 Ų149.984%0.83778%0.783SS**  trans-131.5101.7164.6-76103.3000109.6
330D29.3Very low31.4Very low141 Ų141149.8 Ų149.875%0.75479%0.785SS**  trans-76.8142.3158.3-88.2-33.3000110
331E34.1Very low31.9Very low179 Ų179147.5 Ų147.584%0.83678%0.783SS**  trans5.8120.6150.2-123.8172.2-174.300118.4
332I31Very low32Very low173 Ų173147.8 Ų147.889%0.88779%0.786SS**  trans-157.4136.1136-88.6136.9000109
333K35.7Very low32.3Very low168 Ų168151.5 Ų151.573%0.7379%0.788SS**  trans-77.9153.5178.4-79.7-81.4-177.81780113.5
334D32.5Very low32.6Very low141 Ų141145.5 Ų145.575%0.75477%0.77SS**  trans57.5115.4149.9-57.4-20.3000119.2
335D29.7Very low32.9Very low164 Ų164149.1 Ų149.188%0.87778%0.78SS**  166.4155.583.5-158.911.3000110.8
336A31Very low32.9Very low76 Ų76145.5 Ų145.563%0.62878%0.775SS**  trans75.693.1164.800000122.5
337L38Very low33.1Very low139 Ų139147.6 Ų147.673%0.72878%0.779SS**  trans60.9116.4133.2-56174.5000121.3
338Q35.3Very low33Very low175 Ų175151.2 Ų151.282%0.81879%0.785SS**  -168.3127.3109.6-86.2-44.4-33.700111.2
339H30.4Very low33.5Very low178 Ų178151.1 Ų151.182%0.82479%0.789SS**PPolyproline II helixtrans-75119.8177.3-70-82.7000111.5
340S31.9Very low34.1Very low115 Ų115148.2 Ų148.280%0.80479%0.789SS**PPolyproline II helixtrans-96.6135.5159.964.40000110
341S38.8Very low34.1Very low118 Ų118150.7 Ų150.783%0.82579%0.793SS**PPolyproline II helixtrans-87.5122.6-168.8167.90000112.1
342P41.2Very low34.1Very low115 Ų115147.8 Ų147.875%0.74779%0.79SS**PPolyproline II helixtrans-80.5135.2169.9-9.226.5000112
343R34.1Very low34.4Very low239 Ų239143.6 Ų143.690%0.90277%0.774SS**PPolyproline II helixtrans-67.2127.2174.9-159.1174.6-172-179.41.2109.3V345R343-V345 PolarHBondContact O-N 3.44Å
344A32.9Very low34.6Very low57 Ų57138.9 Ų138.947%0.47177%0.766SS.*PPolyproline II helixtrans-73.4116.6-176.700000112.2
345V31.2Very low35Very low133 Ų133138.7 Ų138.781%0.80677%0.77SS**PPolyproline II helixtrans-81.4138.3160.3175.80000108.3R343 Q347R343-V345 PolarHBondContact O-N 3.44Å; V345-Q347 PolarHBondContact O-N 2.98Å
346C27.5Very low35.9Very low111 Ų111135.6 Ų135.675%0.7576%0.762SS**  trans-57.2113.2179.9-81.40000112.4
347Q36.1Very low36.9Very low191 Ų191137.9 Ų137.989%0.89376%0.757SS**  trans-83.3110.1162.4-71.8178.5-900109.4V345 S349V345-Q347 PolarHBondContact O-N 2.98Å; Q347-S349 PolarHBondContact O-N 2.94Å
348Y32.2Very low37.8Very low220 Ų220136.8 Ų136.886%0.86375%0.751SS**  trans-70.2118.3156.1-87.9-90000107.6L350Y348-L350 PolarHBondContact O-N 3.23Å; Y348-L350 VanDerWaalsContact O-N 3.08Å
349S40.4Very low38.5Very low119 Ų119137.1 Ų137.183%0.83275%0.746SS**  trans-72.5100.1177.5-168.50000109.7Q347Q347-S349 PolarHBondContact O-N 2.94Å
350L42.7Very low40.4Very low161 Ų161131.9 Ų131.984%0.84373%0.729SS**  trans-94.8115.6151.2-73.7169.5000106.8Y348Y348-L350 PolarHBondContact O-N 3.23Å; Y348-L350 VanDerWaalsContact O-N 3.08Å
351K30.1Very low42.5Very low193 Ų193130.9 Ų130.984%0.83972%0.715SS**PPolyproline II helixtrans-48.5119.7170.1-168.7177-175.8179.80109.2P353K351-P353 WeakPolarHBondContact O-CD 3.38Å
352P34.3Very low44.7Very low118 Ų118129.3 Ų129.377%0.76669%0.694SS**PPolyproline II helixtrans-75.2129.8-176.927.2-31000110.1
353P36.6Very low46.9Very low84 Ų84126.7 Ų126.755%0.54567%0.672SS.*PPolyproline II helixtrans-81.3124.4155.831.3-24.1000108.6K351K351-P353 WeakPolarHBondContact O-CD 3.38Å
354A39.9Very low49.6Very low69 Ų69120.7 Ų120.757%0.5765%0.654SS**SBendtrans39.1101.8151.700000117.7S356A354-S356 PolarHBondContact O-N 2.77Å; A354-S356 PolarHBondContact O-OG 2.83Å
355T41.6Very low52.4Low138 Ų138123.4 Ų123.485%0.84766%0.66SS**SBendtrans24.716.113859.60000122.7
356S47.9Very low55.3Low99 Ų99120.9 Ų120.969%0.69264%0.642SS**SBendtrans-120.6-3175.564.70000113.5A354A354-S356 PolarHBondContact O-N 2.77Å; A354-S356 PolarHBondContact O-OG 2.83Å
357K52.6Low58.5Low124 Ų124116.7 Ų116.754%0.53961%0.611SS.*SBendtrans-97.9-21.4177-64.8-173.7178.4-171.90114.6Y359 S360 D361K357-Y359 PolarHBondContact O-N 3.36Å; K357-S360 WeakPolarHBondContact O-CB 3.28Å; K357-S360 PolarHBondContact O-N 3.31Å; K357-D361 PolarHBondContact O-N 3.21Å; K357-D361 VanDerWaalsContact O-N 3.11Å
358I55.1Low61.4Low116 Ų116112.2 Ų112.260%0.59559%0.593SS**Hα-helixtrans-61.6-37-177.7-58.8172.4000110.5S360 D361 E362I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.07Å; I358-D361 PolarHBondContact O-N 3.24Å; I358-E362 WeakPolarHBondContact O-CG 3.31Å; I358-E362 PolarHBondContact O-N 3.21Å
359Y51Low64.3Low182 Ų182104.3 Ų104.371%0.71457%0.569SS**Hα-helixtrans-69.2-26.6176.9-131.5-82.8000113.5K357 E362 E363K357-Y359 PolarHBondContact O-N 3.36Å; Y359-E362 WeakPolarHBondContact CA-OE1 3.39Å; Y359-E362 WeakPolarHBondContact CD2-OE1 2.99Å; Y359-E362 WeakPolarHBondContact CE2-OE1 3.22Å; Y359-E362 WeakPolarHBondContact O-CG 3.21Å; Y359-E363 WeakPolarHBondContact O-CB 3.37Å; Y359-E363 PolarHBondContact O-N 3.13Å
360S69.8Low67Low67 Ų6798.7 Ų98.747%0.46953%0.53SS..Hα-helixtrans-79.1-38.4177.7-170.20000111.4K357 I358 E364K357-S360 WeakPolarHBondContact O-CB 3.28Å; K357-S360 PolarHBondContact O-N 3.31Å; I358-S360 VanDerWaalsContact C-N 3.3Å; I358-S360 PolarHBondContact O-N 3.07Å; S360-E364 WeakPolarHBondContact O-CB 3.41Å; S360-E364 PolarHBondContact O-N 3.21Å
361D76.9Confident69.5Low94 Ų9492.5 Ų92.550%0.50350%0.497SS..Hα-helixtrans-71.1-35.7-179-62.9-7.8000111K357 I358 L365K357-D361 PolarHBondContact O-N 3.21Å; K357-D361 VanDerWaalsContact O-N 3.11Å; I358-D361 PolarHBondContact O-N 3.24Å; D361-L365 WeakPolarHBondContact O-CG 3.48Å; D361-L365 PolarHBondContact O-N 3.28Å; D361-L365 VanDerWaalsContact O-N 3.14Å
362E84.4Confident72.6Confident85 Ų8589 Ų8940%0.39748%0.484SS..Hα-helixtrans-72.3-36.417567.9-169.7175.900112.9I358 Y359 E364 L365 L366I358-E362 WeakPolarHBondContact O-CG 3.31Å; I358-E362 PolarHBondContact O-N 3.21Å; Y359-E362 WeakPolarHBondContact CA-OE1 3.39Å; Y359-E362 WeakPolarHBondContact CD2-OE1 2.99Å; Y359-E362 WeakPolarHBondContact CE2-OE1 3.22Å; Y359-E362 WeakPolarHBondContact O-CG 3.21Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E362-L365 PolarHBondContact O-N 2.9Å; E362-L366 PolarHBondContact O-N 2.89Å
363E87.8Confident75.5Confident61 Ų6186.8 Ų86.829%0.28547%0.466SS..Hα-helixtrans-63.2-42.5172.3-158.2-161.7143.300110.7Y359 L365 L366 Y367 K407Y359-E363 WeakPolarHBondContact O-CB 3.37Å; Y359-E363 PolarHBondContact O-N 3.13Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 3.42Å; E363-L366 WeakPolarHBondContact O-CB 3.45Å; E363-L366 PolarHBondContact O-N 3.2Å; E363-L366 VanDerWaalsContact O-N 3.13Å; E363-Y367 HydrophobicContact CG-CD2 4.41Å; E363-Y367 HydrophobicContact CG-CE2 3.62Å; E363-Y367 WeakPolarHBondContact O-CD2 3.36Å; E363-Y367 PolarHBondContact O-N 3.37Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y367 PolarHBondContact OE1-OH 3.45Å; E363-K407 IonicContact OE1-NZ 2.7Å; E363-K407 PolarHBondContact OE1-NZ 3.47Å; E363-K407 IonicContact OE2-NZ 2.8Å
364E90.7Very high78.3Confident112 Ų11282.8 Ų82.852%0.52344%0.44SS..Hα-helixtrans-59.8-41.4175.6-171.3177173.400112.2S360 E362 L366 Y367 L368S360-E364 WeakPolarHBondContact O-CB 3.41Å; S360-E364 PolarHBondContact O-N 3.21Å; E362-E364 VanDerWaalsContact C-N 3.35Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 3.4Å; E364-Y367 PolarHBondContact O-N 2.92Å; E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.27Å
365L92Very high80.9Confident114 Ų11481.4 Ų81.460%0.59742%0.424SS*.Hα-helixtrans-61.2-34.9175.2-72.7172.1000112.7D361 E362 E363 L368 S369D361-L365 WeakPolarHBondContact O-CG 3.48Å; D361-L365 PolarHBondContact O-N 3.28Å; D361-L365 VanDerWaalsContact O-N 3.14Å; E362-L365 PolarHBondContact O-N 2.9Å; E363-L365 VanDerWaalsContact C-N 3.34Å; E363-L365 PolarHBondContact O-N 3.42Å; L365-L368 HydrophobicContact CD2-CD1 4.42Å; L365-L368 PolarHBondContact O-N 3.45Å; L365-S369 WeakPolarHBondContact O-CB 3.41Å; L365-S369 PolarHBondContact O-N 3.37Å
366L92.2Very high83.4Confident81 Ų8177.8 Ų77.842%0.42440%0.4SS..Hα-helixtrans-68.6-39.8175.7-64.4169000111.7E362 E363 E364 L368 S369 F370 L403E362-L366 PolarHBondContact O-N 2.89Å; E363-L366 WeakPolarHBondContact O-CB 3.45Å; E363-L366 PolarHBondContact O-N 3.2Å; E363-L366 VanDerWaalsContact O-N 3.13Å; E364-L366 VanDerWaalsContact C-N 3.27Å; E364-L366 PolarHBondContact O-N 3.4Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-S369 PolarHBondContact O-N 3.1Å; L366-F370 WeakPolarHBondContact O-CB 3.45Å; L366-F370 PolarHBondContact O-N 3.02Å; L366-L403 HydrophobicContact CB-CD1 4.48Å; L366-L403 HydrophobicContact CB-CD2 3.44Å; L366-L403 VanDerWaalsContact CB-CD2 3.44Å; L366-L403 HydrophobicContact CB-CG 4.47Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L366-L403 HydrophobicContact CG-CD2 4.43Å
367Y95.1Very high85.6Confident22 Ų2275.7 Ų75.79%0.08638%0.379CS..Hα-helixtrans-66.6-34.1173-65.5-72.9000112.6E363 E364 F370 I371 L403 E404 K407 M408E363-Y367 HydrophobicContact CG-CD2 4.41Å; E363-Y367 HydrophobicContact CG-CE2 3.62Å; E363-Y367 WeakPolarHBondContact O-CD2 3.36Å; E363-Y367 PolarHBondContact O-N 3.37Å; E363-Y367 WeakPolarHBondContact OE1-CE2 3.4Å; E363-Y367 PolarHBondContact OE1-OH 3.45Å; E364-Y367 PolarHBondContact O-N 2.92Å; Y367-F370 WeakPolarHBondContact O-CB 3.42Å; Y367-F370 PolarHBondContact O-N 3.09Å; Y367-I371 PolarHBondContact O-N 3.44Å; Y367-I371 VanDerWaalsContact O-N 3.09Å; Y367-L403 HydrophobicContact CD1-CB 4.36Å; Y367-L403 HydrophobicContact CD1-CD1 4.21Å; Y367-L403 HydrophobicContact CD1-CD2 4.2Å; Y367-L403 HydrophobicContact CD1-CG 4.48Å; Y367-L403 HydrophobicContact CE1-CB 3.78Å; Y367-L403 HydrophobicContact CE1-CD1 4.44Å; Y367-L403 HydrophobicContact CE1-CD2 3.96Å; Y367-L403 HydrophobicContact CE1-CG 4.25Å; Y367-L403 HydrophobicContact CE2-CD2 4.36Å; Y367-L403 HydrophobicContact CG-CD2 4.46Å; Y367-E404 WeakPolarHBondContact OH-CB 3.46Å; Y367-E404 PolarHBondContact OH-N 2.93Å; Y367-K407 HydrophobicContact CD1-CB 4.26Å; Y367-K407 HydrophobicContact CE1-CB 3.65Å; Y367-K407 HydrophobicContact CE1-CD 4.16Å; Y367-K407 HydrophobicContact CE2-CD 3.77Å; Y367-K407 WeakPolarHBondContact OH-CD 3.32Å; Y367-M408 HydrophobicContact CD1-CG 4.17Å; Y367-M408 HydrophobicContact CE1-CG 4.02Å
368L95.3Very high87.5Confident98 Ų9870 Ų7051%0.51335%0.354SS..Hα-helixtrans-66.6-45.7174.2-71174.8000111.5E364 L365 L366 F370 I371 E372E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.27Å; L365-L368 HydrophobicContact CD2-CD1 4.42Å; L365-L368 PolarHBondContact O-N 3.45Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 2.91Å; L368-I371 PolarHBondContact O-N 3.35Å; L368-E372 PolarHBondContact O-N 3.4Å
369S94.1Very high89.3Confident53 Ų5370.3 Ų70.337%0.37136%0.357SS..Hα-helixtrans-59.3-40.5173.8-173.50000111.4L365 L366 I371 E372 D373L365-S369 WeakPolarHBondContact O-CB 3.41Å; L365-S369 PolarHBondContact O-N 3.37Å; L366-S369 PolarHBondContact O-N 3.1Å; S369-I371 VanDerWaalsContact C-N 3.35Å; S369-I371 PolarHBondContact O-N 3.38Å; S369-E372 WeakPolarHBondContact O-CB 3.23Å; S369-E372 PolarHBondContact O-N 2.95Å; S369-D373 PolarHBondContact O-N 3.3Å
370F96Very high91.3Very high2 Ų268.9 Ų68.91%0.00935%0.354CS..Hα-helixtrans-59.8-43.2175.9164.4-104.3000112.6L366 Y367 L368 D373 V374 H396 N400 L403 M408 L412L366-F370 WeakPolarHBondContact O-CB 3.45Å; L366-F370 PolarHBondContact O-N 3.02Å; Y367-F370 WeakPolarHBondContact O-CB 3.42Å; Y367-F370 PolarHBondContact O-N 3.09Å; L368-F370 VanDerWaalsContact C-N 3.27Å; L368-F370 PolarHBondContact O-N 2.91Å; F370-D373 PolarHBondContact O-N 3.34Å; F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 4.49Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 4.09Å; F370-V374 VanDerWaalsContact O-CG2 3.23Å; F370-V374 WeakPolarHBondContact O-CG2 3.39Å; F370-V374 PolarHBondContact O-N 2.91Å; F370-V374 VanDerWaalsContact O-N 3.07Å; F370-H396 HydrophobicContact CE2-CB 3.78Å; F370-H396 HydrophobicContact CZ-CB 4.34Å; F370-N400 HydrophobicContact CD2-CB 4.12Å; F370-N400 WeakPolarHBondContact CD2-ND2 3.44Å; F370-N400 HydrophobicContact CE2-CB 4.34Å; F370-L403 HydrophobicContact CB-CD1 3.76Å; F370-L403 HydrophobicContact CD2-CD1 4.49Å; F370-L403 HydrophobicContact CG-CD1 4.18Å; F370-M408 HydrophobicContact CD1-CG 4.34Å; F370-M408 HydrophobicContact CD2-CE 3.81Å; F370-M408 HydrophobicContact CE1-CB 3.84Å; F370-M408 HydrophobicContact CE1-CE 4.16Å; F370-M408 HydrophobicContact CE1-CG 4.01Å; F370-M408 HydrophobicContact CE2-CE 3.19Å; F370-M408 HydrophobicContact CG-CE 4.47Å; F370-M408 HydrophobicContact CZ-CB 3.94Å; F370-M408 HydrophobicContact CZ-CE 3.4Å; F370-M408 HydrophobicContact CZ-CG 4.14Å; F370-L412 HydrophobicContact CE1-CD1 4.11Å; F370-L412 HydrophobicContact CE1-CD2 4.01Å; F370-L412 HydrophobicContact CE1-CG 3.86Å; F370-L412 HydrophobicContact CZ-CD1 3.7Å; F370-L412 HydrophobicContact CZ-CD2 4.14Å; F370-L412 HydrophobicContact CZ-CG 3.97Å
371I96.3Very high92.2Very high30 Ų3070.1 Ų70.115%0.15436%0.355CS..Hα-helixtrans-72.1-35.3176-69.6-53.6000112.6Y367 L368 S369 D373 V374 T375 L411 L412Y367-I371 PolarHBondContact O-N 3.44Å; Y367-I371 VanDerWaalsContact O-N 3.09Å; L368-I371 PolarHBondContact O-N 3.35Å; S369-I371 VanDerWaalsContact C-N 3.35Å; S369-I371 PolarHBondContact O-N 3.38Å; I371-D373 VanDerWaalsContact C-N 3.33Å; I371-V374 PolarHBondContact O-N 3.23Å; I371-T375 HydrophobicContact CG2-CG2 3.95Å; I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 VanDerWaalsContact O-CG2 3.28Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 3.47Å; I371-T375 PolarHBondContact O-OG1 3.34Å; I371-L411 HydrophobicContact CB-CD2 4.41Å; I371-L411 HydrophobicContact CD1-CB 4.26Å; I371-L411 HydrophobicContact CD1-CD2 3.77Å; I371-L411 HydrophobicContact CD1-CG 3.58Å; I371-L411 HydrophobicContact CG1-CB 4.47Å; I371-L411 HydrophobicContact CG1-CD1 4.28Å; I371-L411 HydrophobicContact CG1-CD2 3.13Å; I371-L411 HydrophobicContact CG1-CG 3.37Å; I371-L412 HydrophobicContact CD1-CD2 3.72Å; I371-L412 HydrophobicContact CD1-CG 4.39Å
372E95.2Very high92.6Very high121 Ų12167.7 Ų67.757%0.56535%0.352SS*.Hα-helixtrans-54.6-52.5170.5-174.8174-172.700109.9L368 S369 V374 T375 D376L368-E372 PolarHBondContact O-N 3.4Å; S369-E372 WeakPolarHBondContact O-CB 3.23Å; S369-E372 PolarHBondContact O-N 2.95Å; E372-V374 PolarHBondContact O-N 3.47Å; E372-T375 PolarHBondContact O-N 3Å; E372-T375 PolarHBondContact O-OG1 2.84Å; E372-D376 VanDerWaalsContact O-CB 3.25Å; E372-D376 WeakPolarHBondContact O-CB 3.43Å; E372-D376 PolarHBondContact O-N 2.94Å
373D95.2Very high92.4Very high71 Ų7168 Ų6838%0.3836%0.356SS..Hα-helixtrans-59.1-44.8179.1-69.5-26.3000113S369 F370 I371 E377S369-D373 PolarHBondContact O-N 3.3Å; F370-D373 PolarHBondContact O-N 3.34Å; I371-D373 VanDerWaalsContact C-N 3.33Å; D373-E377 PolarHBondContact O-N 2.87Å
374V94.4Very high92.2Very high0 Ų070 Ų700%036%0.364CS..Hα-helixtrans-64.1-48.1178.7172.50000110.7F370 I371 E372 D376 E377 I378 F393 H396 L412 L415F370-V374 HydrophobicContact CD2-CG2 4.35Å; F370-V374 HydrophobicContact CE1-CG2 4.49Å; F370-V374 HydrophobicContact CE2-CG2 4.02Å; F370-V374 HydrophobicContact CZ-CG2 4.09Å; F370-V374 VanDerWaalsContact O-CG2 3.23Å; F370-V374 WeakPolarHBondContact O-CG2 3.39Å; F370-V374 PolarHBondContact O-N 2.91Å; F370-V374 VanDerWaalsContact O-N 3.07Å; I371-V374 PolarHBondContact O-N 3.23Å; E372-V374 PolarHBondContact O-N 3.47Å; V374-D376 VanDerWaalsContact C-N 3.34Å; V374-E377 PolarHBondContact O-N 3.29Å; V374-I378 HydrophobicContact CG1-CD1 4Å; V374-I378 VanDerWaalsContact O-CG1 3.28Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 2.92Å; V374-F393 HydrophobicContact CG1-CD1 3.95Å; V374-F393 HydrophobicContact CG1-CE1 3.73Å; V374-H396 HydrophobicContact CG2-CB 3.72Å; V374-H396 VanDerWaalsContact CG2-CG 3.45Å; V374-L412 HydrophobicContact CB-CD2 4.31Å; V374-L412 HydrophobicContact CG1-CD2 3.77Å; V374-L412 HydrophobicContact CG2-CD2 4.06Å; V374-L415 HydrophobicContact CG1-CD2 4.02Å
375T94.6Very high92Very high40 Ų4068.1 Ų68.125%0.24536%0.363CS..Hα-helixtrans-67-37.3-17954.60000111.6I371 E372 I378 L379 L415I371-T375 HydrophobicContact CG2-CG2 3.95Å; I371-T375 WeakPolarHBondContact O-CB 3.48Å; I371-T375 VanDerWaalsContact O-CG2 3.28Å; I371-T375 WeakPolarHBondContact O-CG2 3.43Å; I371-T375 PolarHBondContact O-N 3.47Å; I371-T375 PolarHBondContact O-OG1 3.34Å; E372-T375 PolarHBondContact O-N 3Å; E372-T375 PolarHBondContact O-OG1 2.84Å; T375-I378 PolarHBondContact O-N 2.82Å; T375-L379 WeakPolarHBondContact O-CB 3.46Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 2.67Å; T375-L415 HydrophobicContact CG2-CD1 3.83Å; T375-L415 HydrophobicContact CG2-CD2 3.75Å; T375-L415 HydrophobicContact CG2-CG 4.46Å
376D95.3Very high91.7Very high62 Ų6265.3 Ų65.333%0.33235%0.349SS..Hα-helixtrans-58.8-46.5171.3-107.723.2000112.1E372 V374 L379 K380E372-D376 VanDerWaalsContact O-CB 3.25Å; E372-D376 WeakPolarHBondContact O-CB 3.43Å; E372-D376 PolarHBondContact O-N 2.94Å; V374-D376 VanDerWaalsContact C-N 3.34Å; D376-L379 PolarHBondContact O-N 3.4Å; D376-K380 VanDerWaalsContact O-CB 3.3Å; D376-K380 WeakPolarHBondContact O-CB 3.24Å; D376-K380 WeakPolarHBondContact O-CD 3.4Å; D376-K380 WeakPolarHBondContact O-CG 3.47Å; D376-K380 PolarHBondContact O-N 3.3Å; D376-K380 IonicContact OD2-NZ 2.82Å; D376-K380 PolarHBondContact OD2-NZ 3.41Å
377E93.6Very high91.7Very high54 Ų5469.2 Ų69.225%0.25236%0.358SS..Hα-helixtrans-65.9-38.1177.3-78-166.2-166.800112.4D373 V374 L379 K380 L381 L392 H396D373-E377 PolarHBondContact O-N 2.87Å; V374-E377 PolarHBondContact O-N 3.29Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-K380 PolarHBondContact O-N 2.9Å; E377-L381 WeakPolarHBondContact O-CB 3.39Å; E377-L381 VanDerWaalsContact O-CG 3.3Å; E377-L381 WeakPolarHBondContact O-CG 3.47Å; E377-L381 PolarHBondContact O-N 2.86Å; E377-L392 HydrophobicContact CB-CD1 4.19Å; E377-L392 WeakPolarHBondContact OE2-CD1 3.19Å; E377-H396 IonicContact OE1-CE1 3.97Å; E377-H396 PolarHBondContact OE1-CE1 3.17Å; E377-H396 IonicContact OE1-NE2 2.67Å; E377-H396 PolarHBondContact OE1-NE2 3.2Å; E377-H396 IonicContact OE2-CD2 2.78Å; E377-H396 IonicContact OE2-CE1 2.82Å; E377-H396 IonicContact OE2-NE2 2.92Å; E377-H396 PolarHBondContact OE2-NE2 3.48Å
378I93.1Very high91.4Very high4 Ų470.6 Ų70.62%0.02136%0.364CS..Hα-helixtrans-59.2-48172.7-67.6169000110.1V374 T375 L381 G382 F384 L389 L392 F393 L415 L419V374-I378 HydrophobicContact CG1-CD1 4Å; V374-I378 VanDerWaalsContact O-CG1 3.28Å; V374-I378 WeakPolarHBondContact O-CG1 3.36Å; V374-I378 PolarHBondContact O-N 2.92Å; T375-I378 PolarHBondContact O-N 2.82Å; I378-L381 PolarHBondContact O-N 2.78Å; I378-G382 PolarHBondContact O-N 2.85Å; I378-F384 HydrophobicContact CG2-CD1 3.58Å; I378-F384 HydrophobicContact CG2-CE1 3.26Å; I378-F384 HydrophobicContact CG2-CZ 4.13Å; I378-L389 HydrophobicContact CD1-CD2 3.71Å; I378-L389 HydrophobicContact CG1-CD2 3.82Å; I378-L389 HydrophobicContact CG2-CD2 4.46Å; I378-L392 HydrophobicContact CB-CD2 4.49Å; I378-L392 HydrophobicContact CD1-CD2 4.15Å; I378-L392 HydrophobicContact CG1-CD2 3.32Å; I378-F393 HydrophobicContact CD1-CE1 4.14Å; I378-L415 HydrophobicContact CD1-CD2 4.14Å; I378-L419 HydrophobicContact CD1-CD1 4.04Å
379L92.4Very high91.3Very high124 Ų12465.9 Ų65.965%0.64934%0.34SS*.Hα-helixtrans-67.1-40.5-179.2-69172.4000112.1T375 D376 E377T375-L379 WeakPolarHBondContact O-CB 3.46Å; T375-L379 WeakPolarHBondContact O-CG 3.41Å; T375-L379 PolarHBondContact O-N 2.67Å; D376-L379 PolarHBondContact O-N 3.4Å; E377-L379 VanDerWaalsContact C-N 3.34Å
380K92.9Very high91.2Very high151 Ų15167.3 Ų67.366%0.65734%0.341SS*.Hα-helixtrans-63.4-39.8177-75.4162.7-169.7157.40111.9D376 E377D376-K380 VanDerWaalsContact O-CB 3.3Å; D376-K380 WeakPolarHBondContact O-CB 3.24Å; D376-K380 WeakPolarHBondContact O-CD 3.4Å; D376-K380 WeakPolarHBondContact O-CG 3.47Å; D376-K380 PolarHBondContact O-N 3.3Å; D376-K380 IonicContact OD2-NZ 2.82Å; D376-K380 PolarHBondContact OD2-NZ 3.41Å; E377-K380 PolarHBondContact O-N 2.9Å
381L88.7Confident91Very high94 Ų9474.6 Ų74.649%0.49237%0.368SS..Hα-helixtrans-87.1-25.2-177.2-64.7171000112.4E377 I378 L383 F388E377-L381 WeakPolarHBondContact O-CB 3.39Å; E377-L381 VanDerWaalsContact O-CG 3.3Å; E377-L381 WeakPolarHBondContact O-CG 3.47Å; E377-L381 PolarHBondContact O-N 2.86Å; I378-L381 PolarHBondContact O-N 2.78Å; L381-L383 PolarHBondContact O-N 3.38Å; L381-F388 HydrophobicContact CB-CZ 4.2Å; L381-F388 HydrophobicContact CD1-CE1 4.42Å; L381-F388 HydrophobicContact CD1-CE2 4.27Å; L381-F388 HydrophobicContact CD1-CZ 3.51Å; L381-F388 HydrophobicContact CG-CZ 4.47Å
382G84.9Confident90.9Very high43 Ų4373.5 Ų73.544%0.44336%0.363SS..THydrogen-bonded Turntrans63.319.9178.700000113.8I378I378-G382 PolarHBondContact O-N 2.85Å
383L80.4Confident90.9Very high92 Ų9268.4 Ų68.448%0.48234%0.338SS..  trans-107114.4-178.8-61.8179.3000109.5L381 F388L381-L383 PolarHBondContact O-N 3.38Å; L383-F388 HydrophobicContact CB-CD1 3.62Å; L383-F388 HydrophobicContact CB-CD2 4.24Å; L383-F388 HydrophobicContact CB-CE1 3.84Å; L383-F388 HydrophobicContact CB-CE2 4.44Å; L383-F388 HydrophobicContact CB-CG 3.84Å; L383-F388 HydrophobicContact CB-CZ 4.27Å; L383-F388 HydrophobicContact CD1-CD2 3.87Å; L383-F388 HydrophobicContact CD1-CE2 3.9Å; L383-F388 HydrophobicContact CD1-CG 4.31Å; L383-F388 HydrophobicContact CD1-CZ 4.35Å; L383-F388 WeakPolarHBondContact O-CD1 3.49Å; L383-F388 WeakPolarHBondContact O-CE1 3.34Å
384F83.3Confident90.8Very high102 Ų10268.2 Ų68.245%0.44734%0.335SS..  trans-113.220-176.2-55.6-85.4000113.2I378 L419I378-F384 HydrophobicContact CG2-CD1 3.58Å; I378-F384 HydrophobicContact CG2-CE1 3.26Å; I378-F384 HydrophobicContact CG2-CZ 4.13Å; F384-L419 HydrophobicContact CD1-CD2 4.3Å; F384-L419 HydrophobicContact CE1-CD2 4.48Å
385S86.6Confident90.8Very high73 Ų7375.3 Ų75.351%0.5136%0.362SS..  trans-73.8139.7178.5178.50000111.1R387 F388 L389S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.45Å; S385-F388 WeakPolarHBondContact O-CA 3.41Å; S385-F388 WeakPolarHBondContact O-CB 3.22Å; S385-F388 PolarHBondContact O-N 3.3Å; S385-L389 PolarHBondContact O-N 3.16Å
386N87.1Confident90.7Very high55 Ų5573.6 Ų73.629%0.29435%0.351SS..Hα-helixtrans-48.1-47.4176.9-69.6-2.5000112.7F388 L389 E390 C421 T422N386-F388 VanDerWaalsContact C-N 3.28Å; N386-F388 PolarHBondContact O-N 2.97Å; N386-L389 PolarHBondContact O-N 3.17Å; N386-E390 WeakPolarHBondContact O-CG 3.3Å; N386-E390 PolarHBondContact O-N 3.35Å; N386-C421 WeakPolarHBondContact OD1-CA 3.45Å; N386-C421 WeakPolarHBondContact OD1-CB 3.47Å; N386-C421 PolarHBondContact OD1-SG 3.29Å; N386-T422 PolarHBondContact ND2-O 3.11Å
387R90.5Very high90.6Very high162 Ų16271.3 Ų71.361%0.61134%0.339SS*.Hα-helixtrans-62.7-35179.2-177.4-175.3178.8-160.26.1112.8S385 R391S385-R387 VanDerWaalsContact C-N 3.27Å; S385-R387 PolarHBondContact O-N 3.45Å; R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.83Å
388F90.3Very high90.5Very high51 Ų5175.5 Ų75.522%0.22436%0.356CS..Hα-helixtrans-74.9-47.3178.8174.2-93.6000110.5L381 L383 S385 N386 E390 R391 L392L381-F388 HydrophobicContact CB-CZ 4.2Å; L381-F388 HydrophobicContact CD1-CE1 4.42Å; L381-F388 HydrophobicContact CD1-CE2 4.27Å; L381-F388 HydrophobicContact CD1-CZ 3.51Å; L381-F388 HydrophobicContact CG-CZ 4.47Å; L383-F388 HydrophobicContact CB-CD1 3.62Å; L383-F388 HydrophobicContact CB-CD2 4.24Å; L383-F388 HydrophobicContact CB-CE1 3.84Å; L383-F388 HydrophobicContact CB-CE2 4.44Å; L383-F388 HydrophobicContact CB-CG 3.84Å; L383-F388 HydrophobicContact CB-CZ 4.27Å; L383-F388 HydrophobicContact CD1-CD2 3.87Å; L383-F388 HydrophobicContact CD1-CE2 3.9Å; L383-F388 HydrophobicContact CD1-CG 4.31Å; L383-F388 HydrophobicContact CD1-CZ 4.35Å; L383-F388 WeakPolarHBondContact O-CD1 3.49Å; L383-F388 WeakPolarHBondContact O-CE1 3.34Å; S385-F388 WeakPolarHBondContact O-CA 3.41Å; S385-F388 WeakPolarHBondContact O-CB 3.22Å; S385-F388 PolarHBondContact O-N 3.3Å; N386-F388 VanDerWaalsContact C-N 3.28Å; N386-F388 PolarHBondContact O-N 2.97Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.43Å; F388-R391 PolarHBondContact O-N 3.44Å; F388-R391 VanDerWaalsContact O-N 3.14Å; F388-L392 HydrophobicContact CE1-CB 4.29Å; F388-L392 HydrophobicContact CE1-CD2 4.01Å; F388-L392 HydrophobicContact CZ-CB 4.47Å; F388-L392 HydrophobicContact CZ-CD2 4.49Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.2Å
389L92.1Very high90.4Very high0 Ų080 Ų800%038%0.377CS..Hα-helixtrans-58.5-43.2177.7-68.7177.7000111.5I378 S385 N386 R391 L392 F393 L419 C421I378-L389 HydrophobicContact CD1-CD2 3.71Å; I378-L389 HydrophobicContact CG1-CD2 3.82Å; I378-L389 HydrophobicContact CG2-CD2 4.46Å; S385-L389 PolarHBondContact O-N 3.16Å; N386-L389 PolarHBondContact O-N 3.17Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.08Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.14Å; L389-F393 HydrophobicContact CB-CD2 4.45Å; L389-F393 HydrophobicContact CB-CE2 3.96Å; L389-F393 HydrophobicContact CB-CZ 4.02Å; L389-F393 HydrophobicContact CD2-CE1 4.4Å; L389-F393 HydrophobicContact CD2-CZ 4.24Å; L389-F393 VanDerWaalsContact O-CB 3.22Å; L389-F393 WeakPolarHBondContact O-CB 3.35Å; L389-F393 WeakPolarHBondContact O-CD1 3.46Å; L389-F393 VanDerWaalsContact O-CD2 3.31Å; L389-F393 WeakPolarHBondContact O-CD2 3.2Å; L389-F393 WeakPolarHBondContact O-CG 3.12Å; L389-F393 PolarHBondContact O-N 3.18Å; L389-L419 HydrophobicContact CD1-CD1 3.91Å; L389-L419 HydrophobicContact CD2-CD1 4.23Å; L389-C421 HydrophobicContact CD1-CB 4.14Å; L389-C421 WeakPolarHBondContact CD1-SG 3.46Å
390E91.8Very high90.1Very high83 Ų8375.3 Ų75.339%0.38835%0.353SS..Hα-helixtrans-59.8-43.1175.9-75.5166.4-170.400112.6N386 F388 E394 K416N386-E390 WeakPolarHBondContact O-CG 3.3Å; N386-E390 PolarHBondContact O-N 3.35Å; F388-E390 VanDerWaalsContact C-N 3.32Å; F388-E390 PolarHBondContact O-N 3.43Å; E390-E394 WeakPolarHBondContact O-CB 3.37Å; E390-E394 PolarHBondContact O-N 3.13Å; E390-K416 IonicContact OE1-NZ 2.76Å; E390-K416 PolarHBondContact OE1-NZ 2.85Å
391R92.4Very high89.8Confident154 Ų15477 Ų7758%0.58136%0.36SS*.Hα-helixtrans-67.5-37.5176.7-71.6172.8173.9-172.6-8.8112.5R387 F388 L389 R395R387-R391 WeakPolarHBondContact O-CG 3.47Å; R387-R391 PolarHBondContact O-N 2.83Å; F388-R391 PolarHBondContact O-N 3.44Å; F388-R391 VanDerWaalsContact O-N 3.14Å; L389-R391 VanDerWaalsContact C-N 3.35Å; L389-R391 PolarHBondContact O-N 3.08Å; R391-R395 WeakPolarHBondContact O-CB 3.43Å; R391-R395 PolarHBondContact O-N 3.02Å
392L94.3Very high89.5Confident8 Ų878.5 Ų78.54%0.04236%0.364CS..Hα-helixtrans-65.7-49.8177.6-179.868.4000110.5E377 I378 F388 L389 E394 R395 H396E377-L392 HydrophobicContact CB-CD1 4.19Å; E377-L392 WeakPolarHBondContact OE2-CD1 3.19Å; I378-L392 HydrophobicContact CB-CD2 4.49Å; I378-L392 HydrophobicContact CD1-CD2 4.15Å; I378-L392 HydrophobicContact CG1-CD2 3.32Å; F388-L392 HydrophobicContact CE1-CB 4.29Å; F388-L392 HydrophobicContact CE1-CD2 4.01Å; F388-L392 HydrophobicContact CZ-CB 4.47Å; F388-L392 HydrophobicContact CZ-CD2 4.49Å; F388-L392 WeakPolarHBondContact O-CB 3.45Å; F388-L392 PolarHBondContact O-N 3.2Å; L389-L392 WeakPolarHBondContact O-CB 3.47Å; L389-L392 PolarHBondContact O-N 3.14Å; L392-E394 VanDerWaalsContact C-N 3.35Å; L392-E394 PolarHBondContact O-N 3.27Å; L392-R395 WeakPolarHBondContact O-CB 3.07Å; L392-R395 PolarHBondContact O-N 3.19Å; L392-R395 VanDerWaalsContact O-N 3.12Å; L392-H396 PolarHBondContact O-CD2 3.5Å; L392-H396 PolarHBondContact O-N 3.25Å
393F94.3Very high89.8Confident13 Ų1377.2 Ų77.26%0.05735%0.347CS..Hα-helixtrans-56.2-48.3175.6-68.5-9.5000111.1V374 I378 L389 R395 H396 I397 L412 L415 K416V374-F393 HydrophobicContact CG1-CD1 3.95Å; V374-F393 HydrophobicContact CG1-CE1 3.73Å; I378-F393 HydrophobicContact CD1-CE1 4.14Å; L389-F393 HydrophobicContact CB-CD2 4.45Å; L389-F393 HydrophobicContact CB-CE2 3.96Å; L389-F393 HydrophobicContact CB-CZ 4.02Å; L389-F393 HydrophobicContact CD2-CE1 4.4Å; L389-F393 HydrophobicContact CD2-CZ 4.24Å; L389-F393 VanDerWaalsContact O-CB 3.22Å; L389-F393 WeakPolarHBondContact O-CB 3.35Å; L389-F393 WeakPolarHBondContact O-CD1 3.46Å; L389-F393 VanDerWaalsContact O-CD2 3.31Å; L389-F393 WeakPolarHBondContact O-CD2 3.2Å; L389-F393 WeakPolarHBondContact O-CG 3.12Å; L389-F393 PolarHBondContact O-N 3.18Å; F393-R395 VanDerWaalsContact C-N 3.26Å; F393-R395 PolarHBondContact O-N 3.36Å; F393-H396 PolarHBondContact O-N 3.17Å; F393-I397 WeakPolarHBondContact O-CB 3.18Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.32Å; F393-I397 PolarHBondContact O-N 3.16Å; F393-L412 HydrophobicContact CB-CD1 3.75Å; F393-L412 HydrophobicContact CD1-CB 4.45Å; F393-L412 HydrophobicContact CD1-CD1 4.08Å; F393-L412 HydrophobicContact CD1-CD2 3.63Å; F393-L412 HydrophobicContact CD1-CG 4.27Å; F393-L412 HydrophobicContact CD2-CB 4.24Å; F393-L412 HydrophobicContact CE1-CD2 3.79Å; F393-L412 HydrophobicContact CE2-CB 4.49Å; F393-L412 HydrophobicContact CG-CB 4.22Å; F393-L412 HydrophobicContact CG-CD1 3.91Å; F393-L412 HydrophobicContact CG-CD2 4.19Å; F393-L412 HydrophobicContact CG-CG 4.34Å; F393-L412 HydrophobicContact CZ-CD2 4.47Å; F393-L415 HydrophobicContact CE1-CD2 4.27Å; F393-L415 HydrophobicContact CZ-CD2 4.43Å; F393-K416 HydrophobicContact CE2-CB 3.98Å; F393-K416 HydrophobicContact CE2-CD 4.4Å; F393-K416 HydrophobicContact CE2-CG 4.22Å
394E94.4Very high90.2Very high68 Ų6876.9 Ų76.932%0.31834%0.343SS..Hα-helixtrans-65.5-29.7178.6-13160-158.700113E390 L392 K398 R409E390-E394 WeakPolarHBondContact O-CB 3.37Å; E390-E394 PolarHBondContact O-N 3.13Å; L392-E394 VanDerWaalsContact C-N 3.35Å; L392-E394 PolarHBondContact O-N 3.27Å; E394-K398 WeakPolarHBondContact O-CB 3.5Å; E394-K398 WeakPolarHBondContact O-CD 3.34Å; E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 2.85Å; E394-R409 IonicContact OE1-CZ 3.21Å; E394-R409 VanDerWaalsContact OE1-CZ 3.32Å; E394-R409 IonicContact OE1-NH1 2.83Å; E394-R409 PolarHBondContact OE1-NH1 3.44Å; E394-R409 IonicContact OE1-NH2 3.4Å; E394-R409 PolarHBondContact OE1-NH2 3Å; E394-R409 IonicContact OE2-NH1 2.77Å; E394-R409 PolarHBondContact OE2-NH1 3.4Å
395R93.5Very high90.7Very high149 Ų14976.8 Ų76.856%0.56234%0.344SS*.Hα-helixtrans-69.1-48.1174.3-175.7-173.9-177.1163.72110.9R391 L392 F393 K398 Q399R391-R395 WeakPolarHBondContact O-CB 3.43Å; R391-R395 PolarHBondContact O-N 3.02Å; L392-R395 WeakPolarHBondContact O-CB 3.07Å; L392-R395 PolarHBondContact O-N 3.19Å; L392-R395 VanDerWaalsContact O-N 3.12Å; F393-R395 VanDerWaalsContact C-N 3.26Å; F393-R395 PolarHBondContact O-N 3.36Å; R395-K398 PolarHBondContact O-N 3.03Å; R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 3.25Å; R395-Q399 PolarHBondContact O-OE1 3.19Å
396H93Very high90.9Very high4 Ų479.2 Ų79.22%0.01935%0.348CS..Hα-helixtrans-65.9-36.5179.5-87.9-72.7000112.5F370 V374 E377 L392 F393 K398 Q399 N400F370-H396 HydrophobicContact CE2-CB 3.78Å; F370-H396 HydrophobicContact CZ-CB 4.34Å; V374-H396 HydrophobicContact CG2-CB 3.72Å; V374-H396 VanDerWaalsContact CG2-CG 3.45Å; E377-H396 IonicContact OE1-CE1 3.97Å; E377-H396 PolarHBondContact OE1-CE1 3.17Å; E377-H396 IonicContact OE1-NE2 2.67Å; E377-H396 PolarHBondContact OE1-NE2 3.2Å; E377-H396 IonicContact OE2-CD2 2.78Å; E377-H396 IonicContact OE2-CE1 2.82Å; E377-H396 IonicContact OE2-NE2 2.92Å; E377-H396 PolarHBondContact OE2-NE2 3.48Å; L392-H396 PolarHBondContact O-CD2 3.5Å; L392-H396 PolarHBondContact O-N 3.25Å; F393-H396 PolarHBondContact O-N 3.17Å; H396-K398 VanDerWaalsContact C-N 3.35Å; H396-Q399 PolarHBondContact O-N 3.35Å; H396-N400 WeakPolarHBondContact O-CB 2.98Å; H396-N400 PolarHBondContact O-N 3.3Å; H396-N400 PolarHBondContact O-ND2 2.93Å; H396-N400 VanDerWaalsContact O-ND2 3.1Å
397I93.7Very high91.1Very high14 Ų1480.8 Ų80.87%0.07235%0.352CS..Hα-helixtrans-59.9-45.6170.8-68.6164.7000110.8F393 Q399 E405 M408 R409 L412F393-I397 WeakPolarHBondContact O-CB 3.18Å; F393-I397 VanDerWaalsContact O-CG1 3.24Å; F393-I397 WeakPolarHBondContact O-CG1 3.32Å; F393-I397 PolarHBondContact O-N 3.16Å; I397-Q399 PolarHBondContact O-N 3.29Å; I397-E405 HydrophobicContact CG2-CG 3.87Å; I397-M408 HydrophobicContact CB-CE 4.36Å; I397-M408 HydrophobicContact CG1-CE 4.21Å; I397-R409 HydrophobicContact CD1-CG 3.72Å; I397-L412 HydrophobicContact CD1-CD1 3.94Å; I397-L412 HydrophobicContact CG1-CD1 3.91Å
398K91.4Very high91.3Very high142 Ų14273.1 Ų73.162%0.61732%0.323SS*.Hα-helixtrans-70.6-30.4179.8-72.8171.7-174.6178.20113.8E394 R395 H396 K401E394-K398 WeakPolarHBondContact O-CB 3.5Å; E394-K398 WeakPolarHBondContact O-CD 3.34Å; E394-K398 WeakPolarHBondContact O-CG 3.32Å; E394-K398 PolarHBondContact O-N 2.85Å; R395-K398 PolarHBondContact O-N 3.03Å; H396-K398 VanDerWaalsContact C-N 3.35Å; K398-K401 WeakPolarHBondContact O-CE 3.37Å; K398-K401 WeakPolarHBondContact O-CG 3.27Å
399Q89.8Confident91.5Very high98 Ų9875.5 Ų75.546%0.45833%0.33SS..Hα-helixtrans-74.4-38.3177.6-75.5167.8-37.300111.3R395 H396 I397 K401R395-Q399 WeakPolarHBondContact O-CG 3.37Å; R395-Q399 PolarHBondContact O-N 3.25Å; R395-Q399 PolarHBondContact O-OE1 3.19Å; H396-Q399 PolarHBondContact O-N 3.35Å; I397-Q399 PolarHBondContact O-N 3.29Å; Q399-K401 PolarHBondContact O-N 3.05Å
400N86.9Confident91.6Very high26 Ų2681.4 Ų81.414%0.13936%0.358CS..  trans-98.462.8-175.3-69.4-69.3000112.7F370 H396 H402 L403 M408F370-N400 HydrophobicContact CD2-CB 4.12Å; F370-N400 WeakPolarHBondContact CD2-ND2 3.44Å; F370-N400 HydrophobicContact CE2-CB 4.34Å; H396-N400 WeakPolarHBondContact O-CB 2.98Å; H396-N400 PolarHBondContact O-N 3.3Å; H396-N400 PolarHBondContact O-ND2 2.93Å; H396-N400 VanDerWaalsContact O-ND2 3.1Å; N400-H402 PolarHBondContact O-N 3.15Å; N400-H402 VanDerWaalsContact O-N 3.17Å; N400-H402 PolarHBondContact OD1-CE1 2.79Å; N400-H402 VanDerWaalsContact OD1-CE1 3.25Å; N400-L403 HydrophobicContact CB-CD1 4.35Å; N400-L403 PolarHBondContact O-N 3.44Å; N400-M408 HydrophobicContact CB-CE 3.56Å
401K85.8Confident91.8Very high187 Ų18780 Ų8081%0.81335%0.352SS*.THydrogen-bonded Turntrans-68.1-10.1179.5-59.2-178.1-177.8175.90115.1K398 Q399K398-K401 WeakPolarHBondContact O-CE 3.37Å; K398-K401 WeakPolarHBondContact O-CG 3.27Å; Q399-K401 PolarHBondContact O-N 3.05Å
402H83.4Confident91.9Very high124 Ų12472.8 Ų72.857%0.57433%0.326SS*.THydrogen-bonded Turntrans-88-9.7-178.363.6-85.5000112.5N400N400-H402 PolarHBondContact O-N 3.15Å; N400-H402 VanDerWaalsContact O-N 3.17Å; N400-H402 PolarHBondContact OD1-CE1 2.79Å; N400-H402 VanDerWaalsContact OD1-CE1 3.25Å
403L90.1Very high91.8Very high17 Ų1778 Ų789%0.08935%0.35CS..SBendtrans-103.2157.1177.3-67173.3000110.9L366 Y367 F370 N400 E405 M408L366-L403 HydrophobicContact CB-CD1 4.48Å; L366-L403 HydrophobicContact CB-CD2 3.44Å; L366-L403 VanDerWaalsContact CB-CD2 3.44Å; L366-L403 HydrophobicContact CB-CG 4.47Å; L366-L403 HydrophobicContact CD1-CD2 4.16Å; L366-L403 HydrophobicContact CG-CD2 4.43Å; Y367-L403 HydrophobicContact CD1-CB 4.36Å; Y367-L403 HydrophobicContact CD1-CD1 4.21Å; Y367-L403 HydrophobicContact CD1-CD2 4.2Å; Y367-L403 HydrophobicContact CD1-CG 4.48Å; Y367-L403 HydrophobicContact CE1-CB 3.78Å; Y367-L403 HydrophobicContact CE1-CD1 4.44Å; Y367-L403 HydrophobicContact CE1-CD2 3.96Å; Y367-L403 HydrophobicContact CE1-CG 4.25Å; Y367-L403 HydrophobicContact CE2-CD2 4.36Å; Y367-L403 HydrophobicContact CG-CD2 4.46Å; F370-L403 HydrophobicContact CB-CD1 3.76Å; F370-L403 HydrophobicContact CD2-CD1 4.49Å; F370-L403 HydrophobicContact CG-CD1 4.18Å; N400-L403 HydrophobicContact CB-CD1 4.35Å; N400-L403 PolarHBondContact O-N 3.44Å; L403-E405 PolarHBondContact O-N 3.5Å; L403-M408 HydrophobicContact CB-CG 3.94Å; L403-M408 HydrophobicContact CB-SD 3.5Å; L403-M408 WeakPolarHBondContact CB-SD 3.36Å
404E90.7Very high91.8Very high85 Ų8580.2 Ų80.240%0.39736%0.364SS..  trans-71.9116.6178.1-171.7170-158.900110.3Y367 E406 K407 M408Y367-E404 WeakPolarHBondContact OH-CB 3.46Å; Y367-E404 PolarHBondContact OH-N 2.93Å; E404-E406 VanDerWaalsContact C-N 3.27Å; E404-E406 HydrophobicContact CG-CB 4.48Å; E404-E406 PolarHBondContact O-N 3.11Å; E404-K407 HydrophobicContact CB-CB 4.32Å; E404-K407 HydrophobicContact CB-CD 4.18Å; E404-K407 HydrophobicContact CB-CG 4.34Å; E404-K407 HydrophobicContact CG-CG 4.4Å; E404-K407 PolarHBondContact O-N 3.07Å; E404-K407 VanDerWaalsContact O-N 3.16Å; E404-K407 WeakPolarHBondContact OE2-CD 3.39Å; E404-K407 WeakPolarHBondContact OE2-CE 3.31Å; E404-K407 IonicContact OE2-NZ 3.32Å; E404-K407 PolarHBondContact OE2-NZ 3.42Å; E404-M408 WeakPolarHBondContact O-CG 3.22Å; E404-M408 PolarHBondContact O-N 3.42Å
405E92.6Very high91.7Very high100 Ų10078.1 Ų78.147%0.46736%0.355SS..Hα-helixtrans-57.1-39.1-175.7-179.4175.9166.600112.5I397 L403 M408 R409I397-E405 HydrophobicContact CG2-CG 3.87Å; L403-E405 PolarHBondContact O-N 3.5Å; E405-M408 PolarHBondContact O-N 3.1Å; E405-R409 HydrophobicContact CG-CG 4.3Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.47Å; E405-R409 PolarHBondContact O-N 3.39Å; E405-R409 IonicContact OE1-CZ 3.52Å; E405-R409 IonicContact OE1-NE 3.35Å; E405-R409 PolarHBondContact OE1-NE 3.09Å; E405-R409 IonicContact OE1-NH2 3.15Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å
406E90.9Very high91.6Very high124 Ų12472.2 Ų72.258%0.57933%0.333SS*.Hα-helixtrans-62.7-44.5179.5-172.5173-177.100111.7E404 R409 H410E404-E406 VanDerWaalsContact C-N 3.27Å; E404-E406 HydrophobicContact CG-CB 4.48Å; E404-E406 PolarHBondContact O-N 3.11Å; E406-R409 PolarHBondContact O-N 3.33Å; E406-H410 WeakPolarHBondContact O-CB 3.43Å; E406-H410 PolarHBondContact O-N 3.31Å
407K92.1Very high91.5Very high88 Ų8875.7 Ų75.738%0.38336%0.355SS..Hα-helixtrans-66.5-41.3176.1-72.9179.2179.1142.30111.9E363 Y367 E404 H410 L411E363-K407 IonicContact OE1-NZ 2.7Å; E363-K407 PolarHBondContact OE1-NZ 3.47Å; E363-K407 IonicContact OE2-NZ 2.8Å; Y367-K407 HydrophobicContact CD1-CB 4.26Å; Y367-K407 HydrophobicContact CE1-CB 3.65Å; Y367-K407 HydrophobicContact CE1-CD 4.16Å; Y367-K407 HydrophobicContact CE2-CD 3.77Å; Y367-K407 WeakPolarHBondContact OH-CD 3.32Å; E404-K407 HydrophobicContact CB-CB 4.32Å; E404-K407 HydrophobicContact CB-CD 4.18Å; E404-K407 HydrophobicContact CB-CG 4.34Å; E404-K407 HydrophobicContact CG-CG 4.4Å; E404-K407 PolarHBondContact O-N 3.07Å; E404-K407 VanDerWaalsContact O-N 3.16Å; E404-K407 WeakPolarHBondContact OE2-CD 3.39Å; E404-K407 WeakPolarHBondContact OE2-CE 3.31Å; E404-K407 IonicContact OE2-NZ 3.32Å; E404-K407 PolarHBondContact OE2-NZ 3.42Å; K407-H410 PolarHBondContact O-N 3.03Å; K407-L411 WeakPolarHBondContact O-CB 3.25Å; K407-L411 PolarHBondContact O-N 3.4Å
408M94.3Very high91.3Very high1 Ų181 Ų811%0.00538%0.383CS..Hα-helixtrans-61.3-46.5175.4-64.916573.400111.1Y367 F370 I397 N400 L403 E404 E405 H410 L411 L412Y367-M408 HydrophobicContact CD1-CG 4.17Å; Y367-M408 HydrophobicContact CE1-CG 4.02Å; F370-M408 HydrophobicContact CD1-CG 4.34Å; F370-M408 HydrophobicContact CD2-CE 3.81Å; F370-M408 HydrophobicContact CE1-CB 3.84Å; F370-M408 HydrophobicContact CE1-CE 4.16Å; F370-M408 HydrophobicContact CE1-CG 4.01Å; F370-M408 HydrophobicContact CE2-CE 3.19Å; F370-M408 HydrophobicContact CG-CE 4.47Å; F370-M408 HydrophobicContact CZ-CB 3.94Å; F370-M408 HydrophobicContact CZ-CE 3.4Å; F370-M408 HydrophobicContact CZ-CG 4.14Å; I397-M408 HydrophobicContact CB-CE 4.36Å; I397-M408 HydrophobicContact CG1-CE 4.21Å; N400-M408 HydrophobicContact CB-CE 3.56Å; L403-M408 HydrophobicContact CB-CG 3.94Å; L403-M408 HydrophobicContact CB-SD 3.5Å; L403-M408 WeakPolarHBondContact CB-SD 3.36Å; E404-M408 WeakPolarHBondContact O-CG 3.22Å; E404-M408 PolarHBondContact O-N 3.42Å; E405-M408 PolarHBondContact O-N 3.1Å; M408-H410 VanDerWaalsContact C-N 3.33Å; M408-H410 PolarHBondContact O-N 3.43Å; M408-L411 PolarHBondContact O-N 3.05Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 3.48Å
409R94.8Very high91.1Very high100 Ų10077.3 Ų77.338%0.37737%0.37SS..Hα-helixtrans-61.7-41.6177.1-75.2-179.2-177.4-70.7-1111.6E394 I397 E405 E406 H413E394-R409 IonicContact OE1-CZ 3.21Å; E394-R409 VanDerWaalsContact OE1-CZ 3.32Å; E394-R409 IonicContact OE1-NH1 2.83Å; E394-R409 PolarHBondContact OE1-NH1 3.44Å; E394-R409 IonicContact OE1-NH2 3.4Å; E394-R409 PolarHBondContact OE1-NH2 3Å; E394-R409 IonicContact OE2-NH1 2.77Å; E394-R409 PolarHBondContact OE2-NH1 3.4Å; I397-R409 HydrophobicContact CD1-CG 3.72Å; E405-R409 HydrophobicContact CG-CG 4.3Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.27Å; E405-R409 WeakPolarHBondContact O-CG 3.47Å; E405-R409 PolarHBondContact O-N 3.39Å; E405-R409 IonicContact OE1-CZ 3.52Å; E405-R409 IonicContact OE1-NE 3.35Å; E405-R409 PolarHBondContact OE1-NE 3.09Å; E405-R409 IonicContact OE1-NH2 3.15Å; E405-R409 PolarHBondContact OE1-NH2 3.25Å; E406-R409 PolarHBondContact O-N 3.33Å; R409-H413 VanDerWaalsContact O-CB 3.28Å; R409-H413 WeakPolarHBondContact O-CB 3.36Å; R409-H413 PolarHBondContact O-N 3.11Å
410H94.1Very high90.8Very high125 Ų12575.3 Ų75.358%0.57938%0.376SS*.Hα-helixtrans-59.8-49.8175177.373.7000111.6E406 K407 M408 L412 H413 V414E406-H410 WeakPolarHBondContact O-CB 3.43Å; E406-H410 PolarHBondContact O-N 3.31Å; K407-H410 PolarHBondContact O-N 3.03Å; M408-H410 VanDerWaalsContact C-N 3.33Å; M408-H410 PolarHBondContact O-N 3.43Å; H410-L412 PolarHBondContact O-N 3.35Å; H410-H413 WeakPolarHBondContact O-CB 3.41Å; H410-H413 PolarHBondContact O-N 3.38Å; H410-H413 VanDerWaalsContact O-N 3.13Å; H410-V414 WeakPolarHBondContact O-CG2 3.43Å; H410-V414 PolarHBondContact O-N 3.2Å
411L94.7Very high90.2Very high52 Ų5274.6 Ų74.627%0.27237%0.373SS..Hα-helixtrans-67-38-177-169.355.9000112.2I371 K407 M408 H413 V414 L415I371-L411 HydrophobicContact CB-CD2 4.41Å; I371-L411 HydrophobicContact CD1-CB 4.26Å; I371-L411 HydrophobicContact CD1-CD2 3.77Å; I371-L411 HydrophobicContact CD1-CG 3.58Å; I371-L411 HydrophobicContact CG1-CB 4.47Å; I371-L411 HydrophobicContact CG1-CD1 4.28Å; I371-L411 HydrophobicContact CG1-CD2 3.13Å; I371-L411 HydrophobicContact CG1-CG 3.37Å; K407-L411 WeakPolarHBondContact O-CB 3.25Å; K407-L411 PolarHBondContact O-N 3.4Å; M408-L411 PolarHBondContact O-N 3.05Å; L411-H413 VanDerWaalsContact C-N 3.35Å; L411-V414 PolarHBondContact O-N 3.14Å; L411-L415 PolarHBondContact O-N 3.44Å
412L94.5Very high89.1Confident4 Ų470.1 Ų70.12%0.02136%0.361CS..Hα-helixtrans-68.2-32.9172.2-69.1178000112.9F370 I371 V374 F393 I397 M408 H410 L415 K416F370-L412 HydrophobicContact CE1-CD1 4.11Å; F370-L412 HydrophobicContact CE1-CD2 4.01Å; F370-L412 HydrophobicContact CE1-CG 3.86Å; F370-L412 HydrophobicContact CZ-CD1 3.7Å; F370-L412 HydrophobicContact CZ-CD2 4.14Å; F370-L412 HydrophobicContact CZ-CG 3.97Å; I371-L412 HydrophobicContact CD1-CD2 3.72Å; I371-L412 HydrophobicContact CD1-CG 4.39Å; V374-L412 HydrophobicContact CB-CD2 4.31Å; V374-L412 HydrophobicContact CG1-CD2 3.77Å; V374-L412 HydrophobicContact CG2-CD2 4.06Å; F393-L412 HydrophobicContact CB-CD1 3.75Å; F393-L412 HydrophobicContact CD1-CB 4.45Å; F393-L412 HydrophobicContact CD1-CD1 4.08Å; F393-L412 HydrophobicContact CD1-CD2 3.63Å; F393-L412 HydrophobicContact CD1-CG 4.27Å; F393-L412 HydrophobicContact CD2-CB 4.24Å; F393-L412 HydrophobicContact CE1-CD2 3.79Å; F393-L412 HydrophobicContact CE2-CB 4.49Å; F393-L412 HydrophobicContact CG-CB 4.22Å; F393-L412 HydrophobicContact CG-CD1 3.91Å; F393-L412 HydrophobicContact CG-CD2 4.19Å; F393-L412 HydrophobicContact CG-CG 4.34Å; F393-L412 HydrophobicContact CZ-CD2 4.47Å; I397-L412 HydrophobicContact CD1-CD1 3.94Å; I397-L412 HydrophobicContact CG1-CD1 3.91Å; M408-L412 WeakPolarHBondContact O-CB 3.37Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 3.48Å; H410-L412 PolarHBondContact O-N 3.35Å; L412-L415 HydrophobicContact CD2-CD2 4.34Å; L412-L415 PolarHBondContact O-N 3.12Å; L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 3.38Å
413H93.1Very high87.9Confident117 Ų11770.8 Ų70.854%0.54237%0.368SS..Hα-helixtrans-65.6-44.6173178.1-88.3000111.1R409 H410 L411 L415 K416 V417R409-H413 VanDerWaalsContact O-CB 3.28Å; R409-H413 WeakPolarHBondContact O-CB 3.36Å; R409-H413 PolarHBondContact O-N 3.11Å; H410-H413 WeakPolarHBondContact O-CB 3.41Å; H410-H413 PolarHBondContact O-N 3.38Å; H410-H413 VanDerWaalsContact O-N 3.13Å; L411-H413 VanDerWaalsContact C-N 3.35Å; H413-L415 VanDerWaalsContact C-N 3.34Å; H413-L415 PolarHBondContact O-N 3.06Å; H413-K416 WeakPolarHBondContact O-CB 3.42Å; H413-K416 PolarHBondContact O-N 3.26Å; H413-V417 WeakPolarHBondContact O-CG2 3.13Å; H413-V417 PolarHBondContact O-N 3.1Å
414V94Very high86.2Confident59 Ų5978 Ų7836%0.35840%0.401SS..Hα-helixtrans-57.9-48.5173.2175.30000110.4H410 L411 K416 V417 D418H410-V414 WeakPolarHBondContact O-CG2 3.43Å; H410-V414 PolarHBondContact O-N 3.2Å; L411-V414 PolarHBondContact O-N 3.14Å; V414-K416 VanDerWaalsContact C-N 3.3Å; V414-K416 PolarHBondContact O-N 3.49Å; V414-V417 WeakPolarHBondContact O-CB 3.46Å; V414-V417 PolarHBondContact O-N 3.35Å; V414-V417 VanDerWaalsContact O-N 3.09Å; V414-D418 PolarHBondContact O-N 2.96Å
415L93.2Very high84.1Confident25 Ų2582.2 Ų82.213%0.13142%0.421CS..Hα-helixtrans-59.3-40.1176.4-177.964.5000112.4V374 T375 I378 F393 L411 L412 H413 V417 D418 L419V374-L415 HydrophobicContact CG1-CD2 4.02Å; T375-L415 HydrophobicContact CG2-CD1 3.83Å; T375-L415 HydrophobicContact CG2-CD2 3.75Å; T375-L415 HydrophobicContact CG2-CG 4.46Å; I378-L415 HydrophobicContact CD1-CD2 4.14Å; F393-L415 HydrophobicContact CE1-CD2 4.27Å; F393-L415 HydrophobicContact CZ-CD2 4.43Å; L411-L415 PolarHBondContact O-N 3.44Å; L412-L415 HydrophobicContact CD2-CD2 4.34Å; L412-L415 PolarHBondContact O-N 3.12Å; H413-L415 VanDerWaalsContact C-N 3.34Å; H413-L415 PolarHBondContact O-N 3.06Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.48Å; L415-D418 PolarHBondContact O-N 3.07Å; L415-L419 HydrophobicContact CG-CD1 4.26Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.14Å
416K91.1Very high81.3Confident24 Ų2485.4 Ų85.410%0.10444%0.441CS..Hα-helixtrans-60.9-41.4176-166.5-179.2-178.6175.90111.3E390 F393 L412 H413 V414 L419 C421E390-K416 IonicContact OE1-NZ 2.76Å; E390-K416 PolarHBondContact OE1-NZ 2.85Å; F393-K416 HydrophobicContact CE2-CB 3.98Å; F393-K416 HydrophobicContact CE2-CD 4.4Å; F393-K416 HydrophobicContact CE2-CG 4.22Å; L412-K416 VanDerWaalsContact O-CB 3.31Å; L412-K416 WeakPolarHBondContact O-CB 3.37Å; L412-K416 PolarHBondContact O-N 3.38Å; H413-K416 WeakPolarHBondContact O-CB 3.42Å; H413-K416 PolarHBondContact O-N 3.26Å; V414-K416 VanDerWaalsContact C-N 3.3Å; V414-K416 PolarHBondContact O-N 3.49Å; K416-L419 PolarHBondContact O-N 3.39Å; K416-C421 WeakPolarHBondContact CE-O 3.42Å; K416-C421 HydrophobicContact CG-CB 3.67Å; K416-C421 WeakPolarHBondContact CG-O 3.44Å; K416-C421 WeakPolarHBondContact O-CB 3.43Å; K416-C421 PolarHBondContact O-N 3.42Å
417V90.5Very high79Confident78 Ų7885.2 Ų85.247%0.47345%0.454SS..Hα-helixtrans-65.1-44.4175.5173.50000110.9H413 V414 L415 L419 G420H413-V417 WeakPolarHBondContact O-CG2 3.13Å; H413-V417 PolarHBondContact O-N 3.1Å; V414-V417 WeakPolarHBondContact O-CB 3.46Å; V414-V417 PolarHBondContact O-N 3.35Å; V414-V417 VanDerWaalsContact O-N 3.09Å; L415-V417 VanDerWaalsContact C-N 3.31Å; L415-V417 PolarHBondContact O-N 3.48Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 2.98Å; V417-G420 PolarHBondContact O-N 2.95Å
418D89.7Confident76.3Confident125 Ų12587.7 Ų87.767%0.66848%0.476SS*.Hα-helixtrans-63.2-30.9179.4-70.3-22.5000113V414 L415 G420V414-D418 PolarHBondContact O-N 2.96Å; L415-D418 PolarHBondContact O-N 3.07Å; D418-G420 PolarHBondContact O-N 3.43Å
419L87.8Confident74Confident65 Ų6597.3 Ų97.334%0.3452%0.517SS..THydrogen-bonded Turntrans-77.3-3.4174.1-67.4172.7000113.5I378 F384 L389 L415 K416 V417 C421I378-L419 HydrophobicContact CD1-CD1 4.04Å; F384-L419 HydrophobicContact CD1-CD2 4.3Å; F384-L419 HydrophobicContact CE1-CD2 4.48Å; L389-L419 HydrophobicContact CD1-CD1 3.91Å; L389-L419 HydrophobicContact CD2-CD1 4.23Å; L415-L419 HydrophobicContact CG-CD1 4.26Å; L415-L419 VanDerWaalsContact O-CG 3.31Å; L415-L419 WeakPolarHBondContact O-CG 3.4Å; L415-L419 PolarHBondContact O-N 3.14Å; K416-L419 PolarHBondContact O-N 3.39Å; V417-L419 VanDerWaalsContact C-N 3.25Å; V417-L419 PolarHBondContact O-N 2.98Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 PolarHBondContact O-N 2.74Å
420G81.8Confident71.1Confident56 Ų56100.9 Ų100.958%0.57754%0.539SS*.THydrogen-bonded Turntrans74.617.4-177.400000113.7V417 D418 T422V417-G420 PolarHBondContact O-N 2.95Å; D418-G420 PolarHBondContact O-N 3.43Å; G420-T422 VanDerWaalsContact C-N 3.34Å; G420-T422 PolarHBondContact O-N 2.79Å; G420-T422 VanDerWaalsContact O-N 3.16Å
421C75.4Confident67.9Low11 Ų11101.6 Ų101.67%0.07455%0.546CS..  trans-88.367-179.2-720000110.7N386 L389 K416 L419N386-C421 WeakPolarHBondContact OD1-CA 3.45Å; N386-C421 WeakPolarHBondContact OD1-CB 3.47Å; N386-C421 PolarHBondContact OD1-SG 3.29Å; L389-C421 HydrophobicContact CD1-CB 4.14Å; L389-C421 WeakPolarHBondContact CD1-SG 3.46Å; K416-C421 WeakPolarHBondContact CE-O 3.42Å; K416-C421 HydrophobicContact CG-CB 3.67Å; K416-C421 WeakPolarHBondContact CG-O 3.44Å; K416-C421 WeakPolarHBondContact O-CB 3.43Å; K416-C421 PolarHBondContact O-N 3.42Å; L419-C421 VanDerWaalsContact C-N 3.28Å; L419-C421 PolarHBondContact O-N 2.74Å
422T62.8Low65.1Low92 Ų92107.4 Ų107.456%0.56458%0.578SS**  trans-68140.6176.951.30000111.1N386 G420 E424N386-T422 PolarHBondContact ND2-O 3.11Å; G420-T422 VanDerWaalsContact C-N 3.34Å; G420-T422 PolarHBondContact O-N 2.79Å; G420-T422 VanDerWaalsContact O-N 3.16Å; T422-E424 PolarHBondContact O-N 3.02Å
423L58Low62.6Low139 Ų139112.6 Ų112.673%0.72861%0.609SS**  trans-69.578175.9-173.683.9000109.9
424E53.5Low60.1Low168 Ų168114.2 Ų114.279%0.78562%0.622SS**  trans-97.199.5156.6-74.3-160.1163.200107.9T422T422-E424 PolarHBondContact O-N 3.02Å
425E47.1Very low57.4Low173 Ų173120 Ų12081%0.80865%0.648SS**  trans162.387.5141.6-89.6175.1-178.300109.5
426N33.8Very low54.9Low167 Ų167126.8 Ų126.889%0.89368%0.683SS**  trans-165.593134.7-86.4-32.3000108.1V428N426-V428 PolarHBondContact O-N 3.34Å; N426-V428 VanDerWaalsContact O-N 3.15Å
427S42.9Very low52.3Low121 Ų121133 Ų13385%0.84672%0.717SS**  trans-71.699.8171.164.40000110.4
428V34.7Very low49.9Very low139 Ų139136.3 Ų136.384%0.84273%0.732SS**  trans-134.2114.8142.31790000106.2N426 Q430N426-V428 PolarHBondContact O-N 3.34Å; N426-V428 VanDerWaalsContact O-N 3.15Å; V428-Q430 PolarHBondContact O-N 3.22Å
429K46.1Very low47.6Very low203 Ų203136.4 Ų136.488%0.88373%0.726SS**  trans-41.5117.7179.4-62.9168.5177.4178.30111.1
430Q34.3Very low45Very low176 Ų176141.4 Ų141.482%0.82275%0.753SS**  trans-162.4104.9146.5-107.1165.328.300110.5V428V428-Q430 PolarHBondContact O-N 3.22Å
431N27.9Very low42.7Very low139 Ų139147.3 Ų147.374%0.74376%0.764SS**  trans63.6106.1145.6-53.3-26.6000119.9V433N431-V433 PolarHBondContact O-N 3.46Å
432D35.4Very low40.7Very low175 Ų175156 Ų15694%0.93680%0.8SS**SBendtrans-63.858.9158.9-74.5-44.2000112.7
433V41.6Very low39.4Very low112 Ų112160.9 Ų160.968%0.67981%0.813SS**  trans-158.696.9163.1-169.70000105.6N431N431-V433 PolarHBondContact O-N 3.46Å
434D39.8Very low38Very low152 Ų152159.1 Ų159.181%0.81382%0.819SS**  trans164.444.1156.6-81.5-19.4000112.8
435M37.1Very low36.8Very low181 Ų181154.5 Ų154.589%0.89282%0.817SS**SBendtrans-117.330176.9-154.2-170-7400113.4
436L40.9Very low36.3Very low167 Ų167154.2 Ų154.287%0.87482%0.82SS**SBendtrans-142.97.4175.6-76.7179.3000115.8
437N38.2Very low36.2Very low154 Ų154152.3 Ų152.382%0.82482%0.821SS**  trans-127.651.6-174.6-82-26.6000114.1
438L39.6Very low35.9Very low148 Ų148155.6 Ų155.678%0.77582%0.823SS**SBendtrans-139.997.7172.5-158.152000111.9
439F40.8Very low36.3Very low127 Ų127154.9 Ų154.956%0.55782%0.821SS**  trans97.173.1164.9-63.7-77.2000120F441F439-F441 HydrophobicContact CD1-CB 4.42Å; F439-F441 AromaticContact CD1-CD2 3.23Å; F439-F441 HydrophobicContact CD1-CD2 3.23Å; F439-F441 AromaticContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CG 4.12Å; F439-F441 AromaticContact CE1-CD2 3.46Å; F439-F441 HydrophobicContact CE1-CD2 3.46Å; F439-F441 VanDerWaalsContact CE1-CD2 3.46Å; F439-F441 AromaticContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CE2 3.41Å; F439-F441 VanDerWaalsContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CG 4.38Å; F439-F441 HydrophobicContact CE1-CZ 4.38Å; F439-F441 HydrophobicContact CG-CD2 4.42Å
440D32.8Very low35.9Very low169 Ų169150.8 Ų150.890%0.90481%0.808SS**  -88.4112.2129.7-104-30.5000107.9
441F34.7Very low36.3Very low181 Ų181151.5 Ų151.579%0.79481%0.812SS**  trans-121.899.5165.8-103.9-98.7000111.2F439F439-F441 HydrophobicContact CD1-CB 4.42Å; F439-F441 AromaticContact CD1-CD2 3.23Å; F439-F441 HydrophobicContact CD1-CD2 3.23Å; F439-F441 AromaticContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CE2 3.69Å; F439-F441 HydrophobicContact CD1-CG 4.12Å; F439-F441 AromaticContact CE1-CD2 3.46Å; F439-F441 HydrophobicContact CE1-CD2 3.46Å; F439-F441 VanDerWaalsContact CE1-CD2 3.46Å; F439-F441 AromaticContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CE2 3.41Å; F439-F441 VanDerWaalsContact CE1-CE2 3.41Å; F439-F441 HydrophobicContact CE1-CG 4.38Å; F439-F441 HydrophobicContact CE1-CZ 4.38Å; F439-F441 HydrophobicContact CG-CD2 4.42Å
442K31.8Very low37.2Very low194 Ų194151.5 Ų151.584%0.84381%0.811SS**  trans-138.4106.8156.9-168.9174-177.9176.50110.2
443K36.8Very low37.6Very low193 Ų193149.9 Ų149.984%0.83980%0.796SS**  trans72.899.7143.9-167.5-177.7-177.6-176.70118.9
444A28.9Very low37.9Very low103 Ų103151.2 Ų151.285%0.85179%0.794SS**  trans-179.4129.6136.600000106.4
445G27.4Very low38.2Very low71 Ų71151.1 Ų151.173%0.73279%0.789SS**  93.383.366.600000110.5
446N36.5Very low39Very low166 Ų166145.6 Ų145.689%0.88877%0.768SS**  trans18119.5160.5-47.9-21.4000120.6
447S32Very low39.9Very low128 Ų128143.3 Ų143.390%0.89575%0.753SS**  trans-174.7154132.856.50000112.1
448E36.1Very low41.2Very low190 Ų190139.3 Ų139.389%0.88873%0.734SS**PPolyproline II helixtrans-53.4165.2-161.4-73.5-174.8162.800121
449P43.7Very low42.3Very low124 Ų124136.3 Ų136.381%0.80572%0.722SS**PPolyproline II helixtrans-95.3154-162.637.1-32.1000116.4
450N37.3Very low43.6Very low116 Ų116134.4 Ų134.462%0.6272%0.717SS**PPolyproline II helixtrans-58.3130.1178.9-77.7-35.1000116.2L452 K453N450-L452 PolarHBondContact O-N 3.44Å; N450-K453 HydrophobicContact CB-CG 4.48Å
451E42.2Very low45.3Very low191 Ų191131.9 Ų131.989%0.89370%0.699SS**THydrogen-bonded Turntrans-66.3-12.8164.1-73.6178.4150.400113.7
452L47.1Very low47.2Very low139 Ų139129.1 Ų129.173%0.72869%0.689SS**THydrogen-bonded Turntrans-80.7-11.4-177.6-86.2153.2000115.4N450N450-L452 PolarHBondContact O-N 3.44Å
453K45Very low49.2Very low142 Ų142125.9 Ų125.962%0.61768%0.677SS**Hα-helixtrans-81.5-22.6179.4-69-170.5175.2-171.40113.4N450 S456 E457N450-K453 HydrophobicContact CB-CG 4.48Å; K453-S456 PolarHBondContact O-OG 3.05Å; K453-S456 VanDerWaalsContact O-OG 3.05Å; K453-E457 PolarHBondContact O-N 2.8Å
454H46.5Very low51Low140 Ų140125.6 Ų125.665%0.64867%0.67SS**Hα-helixtrans-74.7-33.2-171-160.6-88000112.4V458H454-V458 WeakPolarHBondContact O-CB 3.34Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 2.7Å
455E47.3Very low53.4Low150 Ų150127.3 Ų127.370%0.70166%0.661SS**Hα-helixtrans-68.2-44.5178.9-79.7-174.5154.100112.6E457 V458 T459E455-E457 VanDerWaalsContact C-N 3.31Å; E455-E457 PolarHBondContact O-N 3.3Å; E455-V458 PolarHBondContact O-N 3.35Å; E455-T459 PolarHBondContact O-N 2.8Å; E455-T459 VanDerWaalsContact O-N 3.07Å; E455-T459 PolarHBondContact O-OG1 3.02Å; E455-T459 VanDerWaalsContact O-OG1 3.11Å
456S54Low56Low65 Ų65130.6 Ų130.646%0.45566%0.657SS.*Hα-helixtrans-64.4-37.417851.90000112.2K453 T459 I460K453-S456 PolarHBondContact O-OG 3.05Å; K453-S456 VanDerWaalsContact O-OG 3.05Å; S456-T459 WeakPolarHBondContact CA-OG1 3.43Å; S456-T459 PolarHBondContact O-N 3.02Å; S456-T459 PolarHBondContact O-OG1 3.04Å; S456-I460 WeakPolarHBondContact O-CD1 3.33Å; S456-I460 WeakPolarHBondContact O-CG1 3.33Å; S456-I460 PolarHBondContact O-N 3.4Å; S456-I460 VanDerWaalsContact O-N 3.15Å
457E60.2Low58Low118 Ų118130.7 Ų130.755%0.55165%0.646SS**Hα-helixtrans-74.6-35.5-178.7-166.7147.1-166.700112K453 E455 I460 Q461K453-E457 PolarHBondContact O-N 2.8Å; E455-E457 VanDerWaalsContact C-N 3.31Å; E455-E457 PolarHBondContact O-N 3.3Å; E457-I460 PolarHBondContact O-N 3.31Å; E457-Q461 WeakPolarHBondContact O-CG 3.31Å; E457-Q461 PolarHBondContact O-N 3.43Å
458V64.9Low60.4Low70 Ų70129.6 Ų129.642%0.42463%0.627SS.*Hα-helixtrans-64.9-40.9172.5171.60000111.3H454 E455 Q461 Q462H454-V458 WeakPolarHBondContact O-CB 3.34Å; H454-V458 WeakPolarHBondContact O-CG2 3.29Å; H454-V458 PolarHBondContact O-N 2.7Å; E455-V458 PolarHBondContact O-N 3.35Å; V458-Q461 PolarHBondContact O-N 3.07Å; V458-Q462 WeakPolarHBondContact O-CB 3.13Å; V458-Q462 PolarHBondContact O-N 3.07Å
459T61.6Low62.7Low86 Ų86127.3 Ų127.353%0.52861%0.614SS.*Hα-helixtrans-64.7-40.6176.443.80000113E455 S456 Q462 E463E455-T459 PolarHBondContact O-N 2.8Å; E455-T459 VanDerWaalsContact O-N 3.07Å; E455-T459 PolarHBondContact O-OG1 3.02Å; E455-T459 VanDerWaalsContact O-OG1 3.11Å; S456-T459 WeakPolarHBondContact CA-OG1 3.43Å; S456-T459 PolarHBondContact O-N 3.02Å; S456-T459 PolarHBondContact O-OG1 3.04Å; T459-Q462 PolarHBondContact O-N 2.99Å; T459-E463 PolarHBondContact O-N 3.27Å; T459-E463 VanDerWaalsContact O-N 3.1Å
460I68.4Low64.4Low87 Ų87123.7 Ų123.745%0.44660%0.595SS.*Hα-helixtrans-68.7-36.4179.7-67.3164.7000111.1S456 E457 R464S456-I460 WeakPolarHBondContact O-CD1 3.33Å; S456-I460 WeakPolarHBondContact O-CG1 3.33Å; S456-I460 PolarHBondContact O-N 3.4Å; S456-I460 VanDerWaalsContact O-N 3.15Å; E457-I460 PolarHBondContact O-N 3.31Å; I460-R464 WeakPolarHBondContact O-CG 3.07Å; I460-R464 PolarHBondContact O-N 3.37Å
461Q69.3Low66.2Low115 Ų115122.1 Ų122.154%0.53759%0.586SS.*Hα-helixtrans-71.6-35.8176.4-72.1-156.617.100112.8E457 V458 R464 Q465E457-Q461 WeakPolarHBondContact O-CG 3.31Å; E457-Q461 PolarHBondContact O-N 3.43Å; V458-Q461 PolarHBondContact O-N 3.07Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q461-Q465 WeakPolarHBondContact O-CG 3.43Å; Q461-Q465 PolarHBondContact O-N 2.88Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å
462Q74.8Confident67.9Low124 Ų124117.7 Ų117.758%0.57957%0.568SS**Hα-helixtrans-65.2-43.2176-172.5171.1-4.700111.8V458 T459 R464 Q465 E466V458-Q462 WeakPolarHBondContact O-CB 3.13Å; V458-Q462 PolarHBondContact O-N 3.07Å; T459-Q462 PolarHBondContact O-N 2.99Å; Q462-R464 VanDerWaalsContact C-N 3.33Å; Q462-R464 PolarHBondContact O-N 2.91Å; Q462-Q465 PolarHBondContact O-N 2.93Å; Q462-E466 PolarHBondContact O-N 3.34Å; Q462-E466 VanDerWaalsContact O-N 3.09Å
463E73.7Confident69.1Low125 Ų125117.4 Ų117.458%0.58457%0.565SS**Hα-helixtrans-62.4-39.6176-170.6179.9-174.200111.9T459 E466 Y467T459-E463 PolarHBondContact O-N 3.27Å; T459-E463 VanDerWaalsContact O-N 3.1Å; E463-E466 PolarHBondContact O-N 3.34Å; E463-Y467 PolarHBondContact O-N 3.47Å
464R75.2Confident70.2Confident187 Ų187117.3 Ų117.371%0.70657%0.57SS**Hα-helixtrans-65-38.2175.4-78-178.2172.1-171.4-0.3113.2I460 Q461 Q462 E466 Y467 Q468I460-R464 WeakPolarHBondContact O-CG 3.07Å; I460-R464 PolarHBondContact O-N 3.37Å; Q461-R464 PolarHBondContact O-N 3.11Å; Q462-R464 VanDerWaalsContact C-N 3.33Å; Q462-R464 PolarHBondContact O-N 2.91Å; R464-E466 VanDerWaalsContact C-N 3.34Å; R464-Y467 PolarHBondContact O-N 2.79Å; R464-Q468 PolarHBondContact O-N 2.73Å
465Q79.2Confident71Confident140 Ų140115.3 Ų115.365%0.65457%0.572SS**Hα-helixtrans-67-37.6175.9-74.9-176.1-2.400111.9Q461 Q462 Q468 K469Q461-Q465 WeakPolarHBondContact O-CG 3.43Å; Q461-Q465 PolarHBondContact O-N 2.88Å; Q461-Q465 VanDerWaalsContact O-N 3.07Å; Q462-Q465 PolarHBondContact O-N 2.93Å; Q465-Q468 PolarHBondContact O-N 2.86Å; Q465-K469 WeakPolarHBondContact O-CB 3.34Å; Q465-K469 PolarHBondContact O-N 2.88Å
466E80.5Confident71.7Confident140 Ų140112.4 Ų112.465%0.65457%0.568SS**Hα-helixtrans-67.9-39177.3-160.8164.1-154.600111.7Q462 E463 R464 K469 A470Q462-E466 PolarHBondContact O-N 3.34Å; Q462-E466 VanDerWaalsContact O-N 3.09Å; E463-E466 PolarHBondContact O-N 3.34Å; R464-E466 VanDerWaalsContact C-N 3.34Å; E466-K469 PolarHBondContact O-N 2.84Å; E466-A470 PolarHBondContact O-N 3.04Å
467Y78.8Confident71.7Confident167 Ų167112.8 Ų112.866%0.65558%0.575SS**Hα-helixtrans-62.7-43173-125.7-83.5000112.6E463 R464 K469 A470 L471E463-Y467 PolarHBondContact O-N 3.47Å; R464-Y467 PolarHBondContact O-N 2.79Å; Y467-K469 VanDerWaalsContact C-N 3.35Å; Y467-A470 PolarHBondContact O-N 2.82Å; Y467-L471 WeakPolarHBondContact O-CG 3.24Å; Y467-L471 PolarHBondContact O-N 2.65Å; Y467-L471 VanDerWaalsContact O-N 3.14Å
468Q82.4Confident71.3Confident106 Ų106113.1 Ų113.150%0.49559%0.588SS.*Hα-helixtrans-65.8-39.6177.7-170.760.638.400111.6R464 Q465 A470 L471 D472R464-Q468 PolarHBondContact O-N 2.73Å; Q465-Q468 PolarHBondContact O-N 2.86Å; Q468-A470 VanDerWaalsContact C-N 3.32Å; Q468-A470 PolarHBondContact O-N 3.06Å; Q468-L471 PolarHBondContact O-N 2.85Å; Q468-D472 PolarHBondContact O-N 3.03Å
469K85.3Confident70.7Confident142 Ų142119 Ų11962%0.61761%0.608SS**Hα-helixtrans-62.3-37.8175.4-172.9-177.7178.4-1730112.2Q465 E466 Y467 D472 M473Q465-K469 WeakPolarHBondContact O-CB 3.34Å; Q465-K469 PolarHBondContact O-N 2.88Å; E466-K469 PolarHBondContact O-N 2.84Å; Y467-K469 VanDerWaalsContact C-N 3.35Å; K469-D472 PolarHBondContact O-N 3.31Å; K469-M473 WeakPolarHBondContact O-CG 3.43Å; K469-M473 PolarHBondContact O-N 2.64Å
470A78.5Confident69.5Low48 Ų48122.1 Ų122.140%0.39762%0.621SS.*Hα-helixtrans-65.4-39.4174.800000112.2E466 Y467 Q468 M473 L474E466-A470 PolarHBondContact O-N 3.04Å; Y467-A470 PolarHBondContact O-N 2.82Å; Q468-A470 VanDerWaalsContact C-N 3.32Å; Q468-A470 PolarHBondContact O-N 3.06Å; A470-M473 PolarHBondContact O-N 2.84Å; A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.29Å; A470-L474 PolarHBondContact O-N 3.39Å; A470-L474 VanDerWaalsContact O-N 3.12Å
471L76.4Confident68.9Low83 Ų83125.7 Ų125.744%0.43564%0.636SS.*Hα-helixtrans-67-38.1176.6-69.7173.5000112.7Y467 Q468 L474 S475Y467-L471 WeakPolarHBondContact O-CG 3.24Å; Y467-L471 PolarHBondContact O-N 2.65Å; Y467-L471 VanDerWaalsContact O-N 3.14Å; Q468-L471 PolarHBondContact O-N 2.85Å; L471-L474 PolarHBondContact O-N 3.2Å; L471-S475 WeakPolarHBondContact O-CB 3.45Å; L471-S475 PolarHBondContact O-N 2.88Å; L471-S475 VanDerWaalsContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 2.88Å
472D77.5Confident67.6Low98 Ų98127.3 Ų127.352%0.52465%0.648SS.*Hα-helixtrans-67.9-40.3175.5-84.2-4.2000111.8Q468 K469 L474 S475 S476Q468-D472 PolarHBondContact O-N 3.03Å; K469-D472 PolarHBondContact O-N 3.31Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 2.72Å; D472-S475 PolarHBondContact O-N 3.48Å; D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 PolarHBondContact O-OG 2.68Å
473M72Confident65.8Low132 Ų132130.3 Ų130.365%0.6566%0.662SS**Hα-helixtrans-62.8-33.5174.7-75.9-176.762.400113K469 A470 S475K469-M473 WeakPolarHBondContact O-CG 3.43Å; K469-M473 PolarHBondContact O-N 2.64Å; A470-M473 PolarHBondContact O-N 2.84Å; M473-S475 VanDerWaalsContact C-N 3.31Å
474L67.2Low64.1Low141 Ų141131.7 Ų131.774%0.73867%0.672SS**Hα-helixtrans-74.3-24.5174.6-70.3170.6000112.5A470 L471 D472A470-L474 VanDerWaalsContact O-CG 3.31Å; A470-L474 WeakPolarHBondContact O-CG 3.29Å; A470-L474 PolarHBondContact O-N 3.39Å; A470-L474 VanDerWaalsContact O-N 3.12Å; L471-L474 PolarHBondContact O-N 3.2Å; D472-L474 VanDerWaalsContact C-N 3.28Å; D472-L474 PolarHBondContact O-N 2.72Å
475S64.1Low62.2Low98 Ų98132.1 Ų132.169%0.68568%0.68SS**Hα-helixtrans-89.7-17.5-178.3-570000113.2L471 D472 M473L471-S475 WeakPolarHBondContact O-CB 3.45Å; L471-S475 PolarHBondContact O-N 2.88Å; L471-S475 VanDerWaalsContact O-N 3.11Å; L471-S475 PolarHBondContact O-OG 2.88Å; D472-S475 PolarHBondContact O-N 3.48Å; M473-S475 VanDerWaalsContact C-N 3.31Å
476S61.4Low59.9Low89 Ų89131.5 Ų131.562%0.62269%0.69SS**  trans-10021-176.273.80000115.1D472D472-S476 PolarHBondContact O-N 3.22Å; D472-S476 PolarHBondContact O-OG 2.68Å
477A53.6Low58.2Low72 Ų72130 Ų13060%0.59570%0.696SS**  trans-67130.7173.800000110.5K479A477-K479 PolarHBondContact O-N 2.77Å
478P53Low56.7Low126 Ų126127.5 Ų127.582%0.81870%0.7SS**  trans-67.6126-178.426.5-31.5000109.9D480P478-D480 PolarHBondContact O-N 3.39Å
479K51.1Low54.2Low193 Ų193128 Ų12884%0.83971%0.71SS**  trans-77.9100.6166.2-66.1-178.8-179.1178.70106.7A477A477-K479 PolarHBondContact O-N 2.77Å
480D38.3Very low51.8Low151 Ų151128.1 Ų128.181%0.80771%0.713SS**  trans-77131.7163.9-161.79.5000108.2P478P478-D480 PolarHBondContact O-N 3.39Å
481E54.8Low49.5Very low162 Ų162135.5 Ų135.576%0.75774%0.736SS**  trans-11592.9-158.133.4-163.2141.100108.7
482N41.1Very low47.6Very low150 Ų150138.9 Ų138.980%0.80275%0.748SS**  trans-157127164.7-74.9-56.1000112.6
483E38.5Very low45.6Very low187 Ų187141.8 Ų141.887%0.87476%0.76SS**  trans73.884.5159.5-69.9-173.5152.400122.6
484I36.3Very low43.8Very low154 Ų154141.2 Ų141.279%0.7977%0.766SS**  38.1103.7119.4-51.9173.9000120
485F35.4Very low42.1Very low196 Ų196142.1 Ų142.186%0.8677%0.771SS**  trans24.5114.8141.2-65.4-80.3000121.8
486S31.6Very low40.5Very low126 Ų126148.2 Ų148.288%0.88178%0.781SS**  trans-133.1117.9143.4-68.10000109.5
487S44.8Very low39.1Very low110 Ų110153.1 Ų153.177%0.76979%0.791SS**  trans-74.2174.3154.455.90000109.7
488P48.1Very low38Very low113 Ų113154.1 Ų154.173%0.73479%0.793SS**  cis-136.5-176.56.238.3-17.9000113.5
489T29.4Very low37.1Very low116 Ų116157.7 Ų157.771%0.71280%0.796SS**  trans177.9103132.6-69.10000110.5F491T489-F491 HydrophobicContact CG2-CD2 4.25Å; T489-F491 HydrophobicContact CG2-CE2 4.09Å
490E34.6Very low36.2Very low145 Ų145156.7 Ų156.768%0.67879%0.794SS**  trans-68.6138.5161.9-71160.9126.800110.7F492E490-F492 HydrophobicContact CB-CD2 3.82Å; E490-F492 HydrophobicContact CB-CE2 3.88Å; E490-F492 HydrophobicContact CG-CD2 4.44Å; E490-F492 HydrophobicContact CG-CE2 4.01Å; E490-F492 WeakPolarHBondContact OE1-CE2 3.45Å; E490-F492 VanDerWaalsContact OE1-CZ 3.29Å; E490-F492 WeakPolarHBondContact OE1-CZ 3.45Å; E490-F492 WeakPolarHBondContact OE2-CE2 3.21Å
491F30.9Very low35.8Very low204 Ų204155.3 Ų155.390%0.89580%0.796SS**  trans-107.399.4154.5-89.8-82.1000108.8T489T489-F491 HydrophobicContact CG2-CD2 4.25Å; T489-F491 HydrophobicContact CG2-CE2 4.09Å
492F35.1Very low34.6Very low154 Ų154157.2 Ų157.268%0.67581%0.805SS**PPolyproline II helixtrans-73.9143.5170.3-84.3-84.8000111.8E490E490-F492 HydrophobicContact CB-CD2 3.82Å; E490-F492 HydrophobicContact CB-CE2 3.88Å; E490-F492 HydrophobicContact CG-CD2 4.44Å; E490-F492 HydrophobicContact CG-CE2 4.01Å; E490-F492 WeakPolarHBondContact OE1-CE2 3.45Å; E490-F492 VanDerWaalsContact OE1-CZ 3.29Å; E490-F492 WeakPolarHBondContact OE1-CZ 3.45Å; E490-F492 WeakPolarHBondContact OE2-CE2 3.21Å
493M37.2Very low34.1Very low159 Ų159153.2 Ų153.278%0.78380%0.799SS**PPolyproline II helixtrans-74.3142.1157.7-74.5-92.180.800109.9L495M493-L495 PolarHBondContact O-N 3.07Å
494P33.6Very low33.7Very low120 Ų120150.8 Ų150.878%0.77980%0.797SS**PPolyproline II helixtrans-70121.8-177.8-13.427.1000112.2
495L32.1Very low33.7Very low159 Ų159151 Ų15183%0.83280%0.798SS**PPolyproline II helixtrans-69.9124.5165.3-110.391.8000110.5M493M493-L495 PolarHBondContact O-N 3.07Å
496Y28.9Very low33.6Very low227 Ų227149 Ų14989%0.8980%0.795SS**PPolyproline II helixtrans-76121.6168.7-162.2-97.6000109.5
497K31.8Very low33.5Very low192 Ų192150.6 Ų150.684%0.83579%0.788SS**  trans-83.8114.2179.3-65.6-169.2178.2-1730110.8
498S30.5Very low32.7Very low92 Ų92153.8 Ų153.864%0.64379%0.791SS**  trans-84.1117.3157.654.60000109H500S498-H500 PolarHBondContact O-N 3.17Å
499K35.9Very low31.8Very low202 Ų202154.6 Ų154.688%0.87879%0.794SS**  trans-77.2107.7168.1-69.9-167177.6-173.90108.7
500H30.8Very low31.8Very low172 Ų172155 Ų15580%0.79679%0.791SS**  trans-120.3132156.9-68.9-62.5000109.2S498S498-H500 PolarHBondContact O-N 3.17Å
501S29.9Very low31.7Very low122 Ų122154.8 Ų154.885%0.85380%0.795SS**  trans-69.6142.8-172.4480000112.5
502E29.8Very low31.7Very low201 Ų201153.4 Ų153.494%0.93979%0.791SS**  trans-63.4139.9170.9-175.7161.2-175.200112.9
503G30.4Very low31.5Very low67 Ų67151.1 Ų151.169%0.69179%0.79SS**  trans14899.7164.700000113.5
504V29.7Very low31.1Very low135 Ų135150.1 Ų150.182%0.81879%0.788SS**  trans150.3111.5135169.30000109.5I506V504-I506 HydrophobicContact CG1-CG1 4.16Å
505I37.5Very low30.9Very low160 Ų160152.5 Ų152.582%0.82179%0.793SS**  trans-84.5127.5169.2-61166000107
506I32.8Very low30.7Very low154 Ų154153.3 Ų153.379%0.7979%0.793SS**  trans-136.1123.9152.3-59.9-173.2000110.4V504V504-I506 HydrophobicContact CG1-CG1 4.16Å
507Q29.9Very low31.2Very low159 Ų159147.5 Ų147.574%0.74378%0.783SS**  trans-43.3130.9172.4-163.6102.910.500114.5V509Q507-V509 HydrophobicContact CG-CG2 4.34Å
508Q28.8Very low31Very low176 Ų176143.3 Ų143.382%0.82278%0.777SS**  trans-65.7130.9158-95.8172.9-30.200110.3
509V29.2Very low31Very low131 Ų131144.9 Ų144.979%0.79478%0.784SS**  trans-134.1125.4156-170.40000107Q507Q507-V509 HydrophobicContact CG-CG2 4.34Å
510N28.4Very low30.7Very low124 Ų124142.8 Ų142.866%0.66378%0.781SS**  trans-85.5148.4178.6-82.4-6.9000111.8
511D31.7Very low30.6Very low140 Ų140141.2 Ų141.275%0.74978%0.778SS**  trans64.9141140.5-58.2-30.3000123.5
512E31.6Very low30.8Very low176 Ų176142.8 Ų142.882%0.82277%0.773SS**  trans102.4101.3147.6-84176.3-16500120.8
513T31.5Very low30.9Very low106 Ų106140.7 Ų140.765%0.6577%0.768SS**  75.3121.7129.632.90000122.7
514N27.5Very low31.1Very low137 Ų137144.9 Ų144.973%0.73377%0.774SS**  87.1127128.2-71-27.1000121
515L30.6Very low31.6Very low170 Ų170144.6 Ų144.689%0.8978%0.775SS**  trans91.1107.6150.7-57.8160.6000119.1
516E27.8Very low31.2Very low176 Ų176142 Ų14282%0.82277%0.771SS**  trans-79.6175.3139.6-122.4-157165.900109
517P40.3Very low31.1Very low106 Ų106142.2 Ų142.269%0.68877%0.772SS**  cis-136.4166.9-1233.2-13.6000113.9
518S26.6Very low31.2Very low103 Ų103139.3 Ų139.372%0.7277%0.77SS**  trans-156.9114.2157.181.70000114.7
519T29.8Very low31.2Very low126 Ų126137.8 Ų137.877%0.77377%0.767SS**  76.5101.1111.863.20000118.3
520L29.7Very low31.5Very low158 Ų158136 Ų13683%0.82776%0.76SS**  31.6119115.2-154.4145.1000118.8E522L520-E522 HydrophobicContact CD2-CB 4.48Å
521D29.4Very low31.7Very low138 Ų138137.4 Ų137.474%0.73877%0.767SS**  trans-15591.3153.5-169.229.2000106.7
522E33.8Very low31.7Very low156 Ų156136 Ų13673%0.72976%0.764SS**  62.783.488.7-152.4174.5-151.600113.3L520L520-E522 HydrophobicContact CD2-CB 4.48Å
523N32.4Very low32Very low156 Ų156134.9 Ų134.983%0.83476%0.764SS**  trans-155.899.9153.3-85.1-58000109.7
524N35.3Very low32.1Very low156 Ų156139.1 Ų139.183%0.83478%0.776SS**  trans-111.1158.4156.5-76.8-44.8000107.9
525P39.8Very low32.5Very low129 Ų129141.3 Ų141.384%0.83878%0.782SS**  -134.4152.9101.430.2-14.7000114.2
526S29.5Very low32.5Very low105 Ų105139.7 Ų139.773%0.73478%0.779SS**  trans-67162.1-174.539.40000116.7
527I30.7Very low32.8Very low158 Ų158135.9 Ų135.981%0.8177%0.772SS**  trans174.2101132.5-78.7147.1000105.8
528S31.3Very low32.5Very low99 Ų99136.4 Ų136.469%0.69277%0.773SS**  44.2138.598.8-74.60000114.6
529D29.3Very low32.7Very low143 Ų143138.8 Ų138.877%0.76578%0.777SS**  cis-167.7165.93.5-113.6-45.5000108.4
530S35.6Very low33.1Very low94 Ų94138.6 Ų138.666%0.65778%0.776SS**  trans-21.5153.8171640000121.1
531L32.4Very low33.5Very low153 Ų153138.6 Ų138.680%0.80178%0.775SS**  -177.4119.4120.2-95.8158.2000113.5
532T31.9Very low34.1Very low112 Ų112140.8 Ų140.869%0.68778%0.781SS**  trans24.5129.4138.652.30000122.7
533D36.2Very low33.9Very low152 Ų152136.8 Ų136.881%0.81378%0.782SS**  trans19126.6136-55.9-34.9000119.9
534Q34.5Very low34Very low194 Ų194136 Ų13691%0.90778%0.778SS**  trans-144.5131.2134.4-80.4-146.90.900112.3
535E35.6Very low33.8Very low184 Ų184134.2 Ų134.286%0.8678%0.777SS**  trans-60.8149172-56.6172.813600112.4
536T31.4Very low33.5Very low136 Ų136135.3 Ų135.383%0.83478%0.776SS**  trans-152.292.9151.6-23.90000112.2
537S32.8Very low34Very low95 Ų95135.7 Ų135.766%0.66478%0.776SS**  trans22.3122.2140.163.30000123.1
538V35.1Very low34.1Very low117 Ų117137.7 Ų137.771%0.70978%0.782SS**  53.3124.9118.2-173.70000120.3
539N30.9Very low34.5Very low153 Ų153141 Ų14182%0.81878%0.784SS**  -158.6111.7118-87.2-33.9000111.6
540V37.2Very low34.7Very low123 Ų123140 Ų14075%0.74578%0.783SS**  trans-69.3127.2160.8172.60000107.1
541I37.9Very low34.3Very low158 Ų158142.7 Ų142.781%0.8179%0.785SS**  trans-114.3101.2159.2-61.5177000106
542E41.4Very low34.2Very low183 Ų183142.1 Ų142.186%0.85578%0.781SS**  trans-68.8122.1161.6-170.8168.6-16500107.4
543G29.6Very low34.2Very low73 Ų73142.2 Ų142.275%0.75379%0.787SS**  trans-133.7101.8-178.700000109
544D34.5Very low33.9Very low139 Ų139142.2 Ų142.274%0.74379%0.787SS**  trans-63.1137.1-171.8-1689.9000115.3
545S32.6Very low33.6Very low118 Ų118136.7 Ų136.783%0.82578%0.782SS**  trans177.992145.1-76.10000111.7
546D32.3Very low33.4Very low153 Ų153132.6 Ų132.682%0.81877%0.774SS**  trans28.3154.1141.3-90.2-14.8000125.2
547P41.4Very low33.1Very low113 Ų113132.7 Ų132.773%0.73478%0.778SS**  trans-107.3139.5-143.938.5-30.2000114.5
548E32.6Very low32.9Very low199 Ų199132.7 Ų132.793%0.9378%0.779SS**  trans-86.2125.2162.2-84.6-165.915600111.6V550E548-V550 PolarHBondContact O-N 2.9Å
549K38.2Very low32.7Very low168 Ų168135 Ų13573%0.7379%0.786SS**  trans-54.9117.4174.5-171.4-174.1-170.3-1300112.1E551K549-E551 WeakPolarHBondContact CE-OE1 3.48Å; K549-E551 IonicContact NZ-OE1 3.48Å; K549-E551 PolarHBondContact NZ-OE1 3.26Å
550V33.7Very low32.6Very low124 Ų124135.5 Ų135.575%0.75279%0.789SS**  trans-130.8105.1156.4178.30000109E548 I552E548-V550 PolarHBondContact O-N 2.9Å; V550-I552 HydrophobicContact CG1-CG1 4.49Å; V550-I552 PolarHBondContact O-N 3.1Å
551E28.8Very low32.2Very low149 Ų149136.5 Ų136.570%0.69680%0.795SS**  trans-64.2112.3167.9-76.7163-175.500109.4K549K549-E551 WeakPolarHBondContact CE-OE1 3.48Å; K549-E551 IonicContact NZ-OE1 3.48Å; K549-E551 PolarHBondContact NZ-OE1 3.26Å
552I29.7Very low31.9Very low141 Ų141134.8 Ų134.872%0.72380%0.797SS**  trans-101.7101.2158.6-60173.1000106V550 N554V550-I552 HydrophobicContact CG1-CG1 4.49Å; V550-I552 PolarHBondContact O-N 3.1Å; I552-N554 PolarHBondContact O-N 3.37Å; I552-N554 VanDerWaalsContact O-N 3.16Å
553S31.6Very low31.3Very low115 Ų115134 Ų13480%0.80480%0.798SS**  trans-73.9101.6172.157.60000109.8G555S553-G555 PolarHBondContact O-N 3.22Å
554N30.3Very low31.3Very low151 Ų151136 Ų13681%0.80780%0.8SS**  trans-70.2102.3160.6-73.1-32.2000108.9I552I552-N554 PolarHBondContact O-N 3.37Å; I552-N554 VanDerWaalsContact O-N 3.16Å
555G28.3Very low31Very low79 Ų79137.9 Ų137.981%0.81481%0.805SS**  trans-94.185.9170.200000110.7S553S553-G555 PolarHBondContact O-N 3.22Å
556S30.2Very low30.9Very low97 Ų97137.2 Ų137.268%0.67880%0.8SS**  trans-70.5123168.445.40000110.7S558S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact O-N 3.07Å
557C26.8Very low30.7Very low138 Ų138135.7 Ų135.793%0.93280%0.796SS**  trans-66101.2161.4-93.90000108.7
558S28.1Very low30.1Very low96 Ų96138.3 Ų138.367%0.67180%0.799SS**  trans-90.4117.3170.6-55.60000108.8S556S556-S558 PolarHBondContact O-N 3.46Å; S556-S558 VanDerWaalsContact O-N 3.07Å
559L30.9Very low29.8Very low165 Ų165137.2 Ų137.286%0.86479%0.791SS**  trans-62.8129.1169.9-74.6159.4000109.6T561L559-T561 PolarHBondContact O-N 3.44Å
560N29Very low29.2Very low163 Ų163134.2 Ų134.287%0.87279%0.791SS**  trans-60.9114174.6-68.1-40.5000110.7
561T29.1Very low28.8Very low145 Ų145133.1 Ų133.189%0.8979%0.789SS**  trans-119.1102.1155.211.20000107.6L559L559-T561 PolarHBondContact O-N 3.44Å
562S30.4Very low28.7Very low122 Ų122132.3 Ų132.385%0.85379%0.794SS**  trans-94.3117.5171.139.30000109.3
563L29.8Very low28.7Very low167 Ų167135.1 Ų135.187%0.87480%0.801SS**  trans-107126.7166.5-172.575.3000108.8
564S28.9Very low28.5Very low114 Ų114132.8 Ų132.880%0.79780%0.795SS**  trans-159.6102.5160-64.10000105.7
565Q28.8Very low28.5Very low179 Ų179132.2 Ų132.284%0.83679%0.792SS**  101.9136.871.1-165.5178.118.700112
566S29.3Very low28.8Very low103 Ų103136.1 Ų136.172%0.7279%0.794SS**  trans94.8106.5160.884.20000117
567V29.1Very low28.9Very low121 Ų121137.5 Ų137.573%0.73379%0.794SS**  88.2109.687.8168.80000110.9
568Q27.7Very low29.4Very low169 Ų169138.7 Ų138.779%0.7979%0.785SS**  170118.6101.2-146.6165.3-11.200112.1
569F27.6Very low29.5Very low176 Ų176140.7 Ų140.777%0.77279%0.788SS**  trans14.8127.2144.9-61-75000118.9
570S25.6Very low29.7Very low105 Ų105139.6 Ų139.673%0.73478%0.781SS**  116.2135.354.169.90000107.8
571S24.4Very low29.9Very low101 Ų101139.5 Ų139.571%0.70678%0.775SS**  trans154.1111.2135173.70000113.8
572V27.6Very low30Very low132 Ų132140.6 Ų140.680%0.877%0.774SS**  trans72.1142.4134.2176.20000118
573K30.2Very low30.2Very low200 Ų200140.4 Ų140.487%0.8777%0.773SS**  cis175.5146.5-19.4-175.9177.5-178.4-1750104.7
574G27.4Very low30.2Very low65 Ų65139.2 Ų139.267%0.6777%0.773SS**  trans112.696.3157.200000114.3
575D29.4Very low30.5Very low140 Ų140141.6 Ų141.675%0.74978%0.776SS**  76.7112.688.7-100.6-14.5000114
576N35Very low30.7Very low160 Ų160142.7 Ų142.786%0.85678%0.778SS**  -175.1133.4121.6-86.2-35.2000111.4
577N32.3Very low31Very low126 Ų126145.8 Ų145.867%0.67478%0.784SS**  trans-73.8152.3-173.6-62.9-61.4000114.2
578H36.6Very low31.3Very low164 Ų164148.1 Ų148.176%0.75979%0.79SS**  172.3125.4111.3-92.6-70000112
579D31.7Very low31.6Very low137 Ų137148.9 Ų148.973%0.73379%0.793SS**  trans42.1136.4141-59-39.8000120.3
580M34.6Very low32.1Very low143 Ų143149 Ų14970%0.70480%0.798SS**  cis-167.7149.826.1-124.5-124.1147.300110.6
581E32Very low32.4Very low160 Ų160148.7 Ų148.775%0.74880%0.796SS**  trans59.4112.1150.7-78176173.300123.1
582L32.2Very low32.9Very low169 Ų169151.4 Ų151.489%0.88580%0.801SS**  trans-95.1144.2158.7-71.7164.7000109.8
583S33.5Very low33.5Very low118 Ų118152.9 Ų152.983%0.82580%0.799SS**  trans-144.598.2161.9-76.70000112
584T31.1Very low33.7Very low142 Ų142150.9 Ų150.987%0.87180%0.798SS**  trans4136.9147.4-24.20000121.3
585L35.4Very low34Very low163 Ų163153.8 Ų153.885%0.85381%0.807SS**  trans-67.2144.6165.4-66.1159.9000112.9
586K31.5Very low35.1Very low203 Ų203153.2 Ų153.288%0.88381%0.811SS**  trans-149.9112.3153.9-161171.3-178.5-178.30110.8
587I35.7Very low35.4Very low167 Ų167153.8 Ų153.886%0.85681%0.813SS**PPolyproline II helixtrans-87.3131.5169.2-67.1169.6000106.6
588M35.7Very low35.7Very low171 Ų171155.4 Ų155.484%0.84282%0.821SS**PPolyproline II helixtrans-100127.9-175.1-166.7166.477.900110.4
589E33.9Very low35.9Very low184 Ų184157.1 Ų157.186%0.8684%0.843SS**PPolyproline II helixtrans-76.7140173.6-175.9177.4-177.800110.1
590M38.1Very low36.2Very low178 Ų178158.1 Ų158.188%0.87785%0.848SS**  trans-108.9110.6175.8-71172.362.400108.9
591S32.1Very low36.2Very low99 Ų99158.9 Ų158.969%0.69286%0.856SS**  trans-82.6149.7166.1-179.50000110E593S591-E593 PolarHBondContact OG-OE2 3.48Å
592I35Very low36.5Very low158 Ų158158.8 Ų158.881%0.8186%0.862SS**  trans-102.8119-177.4-38.8168.7000105.6
593E39.3Very low36.7Very low163 Ų163158.2 Ų158.276%0.76286%0.861SS**  trans-105.8130.7178.5-122.977.6-171.200110.3S591S591-E593 PolarHBondContact OG-OE2 3.48Å
594D36.2Very low36.9Very low158 Ų158160.8 Ų160.885%0.84586%0.863SS**PPolyproline II helixtrans-68148.1-177.3-75-49.6000114.2
595C33.4Very low37.3Very low127 Ų127162 Ų16286%0.85886%0.862SS**PPolyproline II helixtrans-77.3138.8170.1-62.70000111.6
596P52.5Low37.5Very low128 Ų128161.9 Ų161.983%0.83186%0.863SS**PPolyproline II helixtrans-96.6138.1162.133.1-25.5000112.2
597L41.2Very low37.9Very low171 Ų171158.8 Ų158.890%0.89586%0.861SS**PPolyproline II helixtrans-82135.8162.1-102144.7000109.4
598D38.3Very low38.1Very low160 Ų160158.1 Ų158.186%0.85686%0.862SS**  trans175.8132.2158.3-103.7-7.4000105.9
599V41.5Very low38.3Very low200 Ų200156.9 Ų156.9100%1.21286%0.863SS**  cis-151.709.51550000106.8

Retrieved 599 of 599 residues in 80.2 ms (Link to these results)