A0A087YIH2_POEFO Loading...

Carnitine O-acetyltransferase

Catalyzes the reversible transfer of acyl groups from carnitine to coenzyme A (CoA) and regulates the acyl-CoA/CoA ratio. Also plays a crucial role in the transport of fatty acids for beta-oxidation. Responsible for the synthesis of short- and branched-chain acylcarnitines. Active towards some branched-chain amino acid oxidation pathway (BCAAO) intermediates. Trans-2-enoyl-CoAs and 2-methylacyl-CoAs are poor substrates.

AlphaFold DB , UniProt , Accession A0A087YIH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 628 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
1M32Very low27Very low243 Ų243155.8 Ų155.8100%1.19785%0.852SS**  0139.80-90.9-160.7-91.800108.5
2L24.2Very low27Very low160 Ų160153.7 Ų153.784%0.83885%0.852SS**  trans-64.8150.2-163.9-71.183.6000113.8V4L2-V4 HydrophobicContact CB-CG2 4.43Å; L2-V4 HydrophobicContact CD2-CG2 3.93Å
3G28.8Very low27.2Very low79 Ų79147.9 Ų147.981%0.81485%0.849SS**  trans-149.477.9158.900000109
4V27.1Very low27.2Very low108 Ų108148.4 Ų148.466%0.65585%0.845SS**  trans-79130.7-169.4168.30000111.8L2 V6L2-V4 HydrophobicContact CB-CG2 4.43Å; L2-V4 HydrophobicContact CD2-CG2 3.93Å; V4-V6 HydrophobicContact CG1-CG2 4.04Å
5I27.8Very low27Very low151 Ų151144.6 Ų144.677%0.77484%0.839SS**  trans-66.1127.9163.3-67163.5000109.1
6V26.5Very low26.9Very low124 Ų124144.9 Ų144.975%0.75284%0.836SS**  trans-130.8106157.3-178.20000109.5V4V4-V6 HydrophobicContact CG1-CG2 4.04Å
7R26Very low26.9Very low239 Ų239142.1 Ų142.190%0.90282%0.824SS**  trans-68.2124.2157.3-82.5175165.7173.5-5107.9
8A27.1Very low26.9Very low98 Ų98139.8 Ų139.881%0.8182%0.816SS**  trans-104.6132.516600000109.6
9A25.7Very low27.4Very low99 Ų99142.5 Ų142.582%0.81881%0.811SS**  trans-73.2145.4-165.200000114.1R11A9-R11 PolarHBondContact O-N 3.15Å
10L26.5Very low27.9Very low175 Ų175139 Ų13992%0.91679%0.79SS**  trans-57.6126.5160.6-76.7145000110.1
11R25.5Very low28.3Very low238 Ų238136 Ų13690%0.89877%0.771SS**  trans-108.7133.5155.7-81.8-170.2178-172.50.7109.1A9A9-R11 PolarHBondContact O-N 3.15Å
12P27.1Very low28.9Very low130 Ų130132.5 Ų132.584%0.84474%0.744SS**  trans-87.7152.9-177.934.4-32.3000112.2
13G29.4Very low30.5Very low79 Ų79128.9 Ų128.981%0.81474%0.738SS**  trans92.565.315100000116.9A15G13-A15 PolarHBondContact O-N 3.42Å
14I26.5Very low32Very low155 Ų155128.3 Ų128.380%0.79572%0.718SS**  trans-80.7106.1152.5-63.3175.3000106.3N16I14-N16 PolarHBondContact O-N 3Å
15A25.2Very low33.9Very low91 Ų91126.9 Ų126.975%0.75271%0.71SS**PPolyproline II helixtrans-56.8119.4164.500000108.1G13 P17G13-A15 PolarHBondContact O-N 3.42Å; A15-P17 WeakPolarHBondContact O-CD 3.47Å
16N24.8Very low35.7Very low149 Ų149124.3 Ų124.380%0.79770%0.695SS**PPolyproline II helixtrans-60.9123.7176-80.9-37.5000109.2I14 C18I14-N16 PolarHBondContact O-N 3Å; N16-C18 PolarHBondContact O-N 3.15Å; N16-C18 VanDerWaalsContact O-N 3.13Å
17P26.5Very low37.4Very low98 Ų98121.9 Ų121.964%0.63668%0.677SS**PPolyproline II helixtrans-63.4118.8169.20.28.4000108.3A15 R19A15-P17 WeakPolarHBondContact O-CD 3.47Å; P17-R19 PolarHBondContact O-N 3.47Å
18C28.1Very low38.9Very low101 Ų101116 Ų11668%0.68267%0.672SS**  trans-71.776.4-177.3-149.10000110.4N16 L20N16-C18 PolarHBondContact O-N 3.15Å; N16-C18 VanDerWaalsContact O-N 3.13Å; C18-L20 PolarHBondContact O-N 2.89Å; C18-L20 VanDerWaalsContact SG-CD1 3.53Å
19R35.9Very low40.4Very low190 Ų190115.7 Ų115.772%0.71765%0.654SS**  trans-8387.9172.9-73.4-175.5177.5-171.7-0.4109.4P17P17-R19 PolarHBondContact O-N 3.47Å
20L37.1Very low42.1Very low73 Ų73120.4 Ų120.438%0.38265%0.651SS.*  trans-94.55.7-174.3-86.4164.5000115.9C18 N166C18-L20 PolarHBondContact O-N 2.89Å; C18-L20 VanDerWaalsContact SG-CD1 3.53Å; L20-N166 PolarHBondContact O-ND2 2.75Å; L20-N166 PolarHBondContact O-OD1 3.5Å
21L35.5Very low43.9Very low77 Ų77112.4 Ų112.440%0.40361%0.609SS.*  trans-136.187163.9-75.3168000109L165 T509 I513L21-L165 HydrophobicContact CD2-CD1 4.36Å; L21-T509 HydrophobicContact CD1-CG2 4.03Å; L21-I513 HydrophobicContact CD2-CD1 4.26Å
22R46Very low45.6Very low168 Ų168106.8 Ų106.863%0.63459%0.592SS**PPolyproline II helixtrans-77.7147.5165.7-70.8-174.2-179-171.40109N166R22-N166 PolarHBondContact N-OD1 3.33Å; R22-N166 VanDerWaalsContact N-OD1 3.1Å
23A56.6Low47.4Very low84 Ų84105.8 Ų105.869%0.69458%0.583SS**PPolyproline II helixtrans-53.3147.1171.700000110.5T25A23-T25 PolarHBondContact O-N 3.32Å
24V61.6Low49.5Very low68 Ų68103.1 Ų103.141%0.41255%0.549SS..PPolyproline II helixtrans-58.5122.1177.3175.90000109.6Q163 Y164 L165 L170V24-Q163 HydrophobicContact CG1-CB 3.61Å; V24-Q163 HydrophobicContact CG1-CG 3.82Å; V24-Y164 VanDerWaalsContact CA-O 3.27Å; V24-Y164 WeakPolarHBondContact CA-O 3.43Å; V24-L165 HydrophobicContact CG2-CD1 4.39Å; V24-L170 HydrophobicContact CG1-CD1 4.37Å; V24-L170 HydrophobicContact CG2-CD1 4.44Å
25T66.4Low52.1Low77 Ų7796.9 Ų96.947%0.47252%0.517SS..EExtended strand (participates in β ladder)trans-100.2155.4178.654.50000111.1A23 Q163 Y164A23-T25 PolarHBondContact O-N 3.32Å; T25-Q163 CarbonylContact O-C 3.53Å; T25-Q163 WeakPolarHBondContact O-CA 3.42Å; T25-Y164 PolarHBondContact N-O 3.26Å; T25-Y164 PolarHBondContact O-N 3.42Å; T25-Y164 WeakPolarHBondContact OG1-CB 3.33Å
26Q65.1Low54.7Low97 Ų9799.1 Ų99.145%0.45351%0.512SS..EExtended strand (participates in β ladder)trans-119.2135.5-176.7-65.317023.200110.7P161 V162 F355Q26-P161 HydrophobicContact CB-CB 3.96Å; Q26-P161 HydrophobicContact CG-CB 4.45Å; Q26-V162 WeakPolarHBondContact CA-O 3.1Å; Q26-F355 HydrophobicContact CG-CE2 4.17Å
27I62.2Low57.6Low73 Ų7395.2 Ų95.237%0.37451%0.506SS..EExtended strand (participates in β ladder)trans-128.1137.2175-52.7-175.6000109.1E29 P161 V162 Y164I27-E29 HydrophobicContact CG2-CG 4Å; I27-E29 PolarHBondContact O-N 3.28Å; I27-P161 CarbonylContact O-C 3.56Å; I27-P161 WeakPolarHBondContact O-CA 3.27Å; I27-V162 PolarHBondContact N-O 3Å; I27-V162 PolarHBondContact O-N 3.46Å; I27-Y164 HydrophobicContact CB-CD2 4.43Å; I27-Y164 HydrophobicContact CB-CE2 3.9Å; I27-Y164 HydrophobicContact CD1-CD2 3.94Å; I27-Y164 HydrophobicContact CD1-CE1 4.41Å; I27-Y164 HydrophobicContact CD1-CE2 3.6Å; I27-Y164 HydrophobicContact CG1-CD2 3.94Å; I27-Y164 HydrophobicContact CG1-CE2 3.77Å
28S58.1Low60.9Low116 Ų11691.1 Ų91.181%0.81148%0.479SS*.  trans-7981.8-179.8-179.30000110.9
29E59.7Low64.1Low91 Ų9189.7 Ų89.743%0.42547%0.468SS..  trans-128.6158.6176.4-72.8171.2173.100110.3I27 V162 Y164I27-E29 HydrophobicContact CG2-CG 4Å; I27-E29 PolarHBondContact O-N 3.28Å; E29-V162 HydrophobicContact CB-CG2 4.2Å; E29-Y164 PolarHBondContact OE2-OH 3.17Å
30R60Low67.1Low199 Ų19985.2 Ų85.275%0.75145%0.454SS*.  trans-74.3128.1177.3-70.5-170.6-179.8-172.80.7110.8F32R30-F32 PolarHBondContact O-N 3.22Å
31S65.3Low70Confident7 Ų782.1 Ų82.15%0.04944%0.438CS..Hα-helixtrans-71.5-29-169.765.50000115.8H34 Q35 E158 Y176S31-H34 WeakPolarHBondContact O-CB 3.31Å; S31-H34 PolarHBondContact O-N 2.83Å; S31-Q35 PolarHBondContact O-N 2.95Å; S31-E158 PolarHBondContact N-O 3.24Å; S31-Y176 WeakPolarHBondContact CB-OH 3.49Å; S31-Y176 PolarHBondContact OG-OH 2.92Å
32F61Low73Confident119 Ų11980.2 Ų80.252%0.52243%0.43SS..Hα-helixtrans-67.1-48.6-177.1-174.9-90.9000113R30 H34 Q35 E158R30-F32 PolarHBondContact O-N 3.22Å; F32-H34 PolarHBondContact O-N 3.16Å; F32-H34 VanDerWaalsContact O-N 3.17Å; F32-Q35 PolarHBondContact O-N 3.4Å; F32-Q35 VanDerWaalsContact O-N 3.09Å; F32-E158 WeakPolarHBondContact CB-OE2 3.35Å
33V63.9Low75.5Confident109 Ų10973.6 Ų73.666%0.66141%0.409SS*.Hα-helixtrans-58.8-31.7176.8179.60000110.9
34H74.4Confident77.5Confident24 Ų2469.8 Ų69.811%0.11138%0.377CS..Hα-helixtrans-70.5-39.4178.5-178.846.2000112.8S31 F32 E36 G37 L38 V162 P169S31-H34 WeakPolarHBondContact O-CB 3.31Å; S31-H34 PolarHBondContact O-N 2.83Å; F32-H34 PolarHBondContact O-N 3.16Å; F32-H34 VanDerWaalsContact O-N 3.17Å; H34-E36 VanDerWaalsContact C-N 3.3Å; H34-E36 PolarHBondContact O-N 3.47Å; H34-G37 PolarHBondContact O-N 3.3Å; H34-G37 VanDerWaalsContact O-N 3.13Å; H34-L38 WeakPolarHBondContact NE2-CD2 3.42Å; H34-L38 PolarHBondContact O-N 2.88Å; H34-V162 HydrophobicContact CB-CG2 4.22Å; H34-P169 WeakPolarHBondContact CE1-CB 3.32Å; H34-P169 WeakPolarHBondContact CE1-CG 3.44Å; H34-P169 VanDerWaalsContact NE2-CB 3.32Å; H34-P169 WeakPolarHBondContact NE2-CB 3.39Å
35Q79.8Confident79.2Confident23 Ų2369.9 Ų69.911%0.10738%0.379CS..Hα-helixtrans-64.2-31.9-177.5-171.671.821.100112.9S31 F32 C171S31-Q35 PolarHBondContact O-N 2.95Å; F32-Q35 PolarHBondContact O-N 3.4Å; F32-Q35 VanDerWaalsContact O-N 3.09Å; Q35-C171 PolarHBondContact NE2-SG 3.2Å; Q35-C171 PolarHBondContact OE1-SG 3.04Å
36E80.4Confident80.8Confident139 Ų13967 Ų6765%0.6536%0.36SS*.Hα-helixtrans-70.7-29.8175.5-67.2-169.1158.400113.1H34H34-E36 VanDerWaalsContact C-N 3.3Å; H34-E36 PolarHBondContact O-N 3.47Å
37G86.9Confident82.3Confident66 Ų6668.7 Ų68.768%0.6837%0.366SS*.THydrogen-bonded Turntrans-82.5-6.7-179.800000115H34H34-G37 PolarHBondContact O-N 3.3Å; H34-G37 VanDerWaalsContact O-N 3.13Å
38L94.5Very high84Confident12 Ų1267.3 Ų67.36%0.06336%0.358CS..SBendtrans-74.1139.8-179.7-75.2170.9000111.8H34 P169 C171 K463H34-L38 WeakPolarHBondContact NE2-CD2 3.42Å; H34-L38 PolarHBondContact O-N 2.88Å; L38-P169 HydrophobicContact CD2-CG 4.2Å; L38-C171 VanDerWaalsContact CD1-CA 3.42Å; L38-C171 HydrophobicContact CD1-CB 3.7Å; L38-K463 HydrophobicContact CB-CB 4.2Å
39P96.6Very high86Confident71 Ų7161.8 Ų61.846%0.46132%0.32SS..PPolyproline II helixtrans-64.7148.3174.728.1-33.8000110.9M461 F462 K463P39-M461 WeakPolarHBondContact CD-O 3.36Å; P39-M461 WeakPolarHBondContact CG-O 3.31Å; P39-F462 HydrophobicContact CB-CD1 4.15Å; P39-F462 HydrophobicContact CG-CD1 3.79Å; P39-F462 HydrophobicContact CG-CE1 4.16Å; P39-F462 CarbonylContact O-C 3.56Å; P39-F462 VanDerWaalsContact O-CA 3.24Å; P39-F462 WeakPolarHBondContact O-CA 3.31Å; P39-K463 PolarHBondContact O-N 3.18Å
40K97.6Very high87.8Confident96 Ų9657.6 Ų57.642%0.41730%0.3SS..PPolyproline II helixtrans-67.3152.2167.8-61.6-168.9176.1-168.60110.1T96 D97 F462K40-T96 WeakPolarHBondContact CE-O 3.37Å; K40-T96 PolarHBondContact NZ-O 3.48Å; K40-D97 WeakPolarHBondContact CG-O 3.38Å; K40-F462 WeakPolarHBondContact O-CD1 3.44Å
41L98.4Very high89.6Confident8 Ų853.3 Ų53.34%0.04229%0.289CS..PPolyproline II helixtrans-61124.7174.2-173.471.3000109.7W99 L100 L459 F462L41-W99 HydrophobicContact CD2-CZ2 4.24Å; L41-L100 HydrophobicContact CD2-CB 3.73Å; L41-L100 HydrophobicContact CD2-CD2 3.85Å; L41-L100 HydrophobicContact CD2-CG 4.48Å; L41-L459 HydrophobicContact CD1-CB 4.41Å; L41-L459 HydrophobicContact CD1-CD1 3.76Å; L41-L459 HydrophobicContact CD1-CD2 3.96Å; L41-L459 HydrophobicContact CD1-CG 4.28Å; L41-L459 HydrophobicContact CD2-CD1 4.34Å; L41-F462 HydrophobicContact CB-CB 4.23Å; L41-F462 HydrophobicContact CB-CG 4.48Å; L41-F462 HydrophobicContact CD1-CB 4.15Å; L41-F462 HydrophobicContact CD1-CD2 3.56Å; L41-F462 HydrophobicContact CD1-CE2 4.13Å; L41-F462 HydrophobicContact CD1-CG 3.87Å
42P98.3Very high91.2Very high38 Ų3856.8 Ų56.825%0.24730%0.301CS..PPolyproline II helixtrans-69.9162.5178.930-36000111.5W99 F462P42-W99 PolarHBondContact O-NE1 3.2Å; P42-F462 VanDerWaalsContact CD-CE1 3.42Å; P42-F462 HydrophobicContact CG-CE1 4.17Å; P42-F462 HydrophobicContact CG-CZ 4.13Å
43V98.8Very high93Very high29 Ų2951.4 Ų51.418%0.17628%0.277CS..  trans-103.8115.8163.4-176.70000106.1L89 E90 A93 W99V43-L89 HydrophobicContact CG1-CB 4.04Å; V43-L89 HydrophobicContact CG1-CD1 4.42Å; V43-L89 HydrophobicContact CG2-CB 4.36Å; V43-E90 HydrophobicContact CB-CG 4.45Å; V43-E90 HydrophobicContact CG1-CG 4.42Å; V43-A93 HydrophobicContact CG2-CB 3.77Å; V43-W99 HydrophobicContact CG2-CG 4.34Å
44P98.5Very high94.6Very high4 Ų447.3 Ų47.33%0.02625%0.251CS..  trans-60.1156.7178.5-22.532.1000112.2L46 Q86 G515 H521P44-L46 PolarHBondContact O-N 3.13Å; P44-Q86 PolarHBondContact O-NE2 3.47Å; P44-Q86 VanDerWaalsContact O-NE2 3.14Å; P44-G515 WeakPolarHBondContact CG-O 3.4Å; P44-H521 HydrophobicContact CG-CB 4.12Å; P44-H521 PolarHBondContact O-CE1 3.37Å
45P98.4Very high95.7Very high70 Ų7048.7 Ų48.746%0.45527%0.267SS..  trans-59.7136169.4-22.333.6000111.3K47 Q48 T49P45-K47 PolarHBondContact O-N 2.91Å; P45-Q48 HydrophobicContact CB-CB 4.06Å; P45-Q48 HydrophobicContact CG-CB 4.45Å; P45-Q48 WeakPolarHBondContact O-CB 3.43Å; P45-Q48 PolarHBondContact O-N 3.49Å; P45-T49 PolarHBondContact O-N 3.28Å; P45-T49 VanDerWaalsContact O-N 3.11Å; P45-T49 PolarHBondContact O-OG1 3.13Å
46L98.4Very high96.6Very high16 Ų1648.3 Ų48.38%0.08427%0.267CS..Hα-helixtrans-57.2-47.6-179.2-17465.1000112.3P44 Q48 T49 C50 F76 L77 G82 Q86 L525P44-L46 PolarHBondContact O-N 3.13Å; L46-Q48 PolarHBondContact O-N 3.06Å; L46-T49 WeakPolarHBondContact O-CB 3.48Å; L46-T49 PolarHBondContact O-N 3.08Å; L46-T49 VanDerWaalsContact O-N 3.13Å; L46-C50 PolarHBondContact O-N 2.94Å; L46-C50 PolarHBondContact O-SG 2.98Å; L46-F76 HydrophobicContact CD1-CD1 4.49Å; L46-F76 HydrophobicContact CD1-CE1 3.8Å; L46-L77 HydrophobicContact CB-CD2 4.39Å; L46-L77 HydrophobicContact CD2-CD2 3.71Å; L46-L77 HydrophobicContact CG-CD2 3.65Å; L46-G82 WeakPolarHBondContact CD2-O 3.49Å; L46-Q86 HydrophobicContact CB-CB 4.44Å; L46-Q86 HydrophobicContact CB-CG 4.24Å; L46-Q86 HydrophobicContact CD2-CB 4.3Å; L46-L525 HydrophobicContact CD1-CD1 3.57Å; L46-L525 HydrophobicContact CD1-CD2 4.32Å
47K97.7Very high97.5Very high133 Ų13341.7 Ų41.758%0.57824%0.236SC*.Hα-helixtrans-59.7-46.2179.8-171.4-179.8178.3-167.30112.1P45 T49 C50 E51P45-K47 PolarHBondContact O-N 2.91Å; K47-T49 VanDerWaalsContact C-N 3.25Å; K47-T49 PolarHBondContact O-N 3.14Å; K47-C50 PolarHBondContact O-N 3.02Å; K47-E51 WeakPolarHBondContact CE-OE1 3.32Å; K47-E51 HydrophobicContact CG-CG 4.47Å; K47-E51 IonicContact NZ-OE1 3.96Å; K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.29Å
48Q98.1Very high98Very high44 Ų4443.5 Ų43.521%0.20623%0.227CC..Hα-helixtrans-56.3-42.6175.2172.9-173.2-58.300111.4P45 L46 R52 Q516P45-Q48 HydrophobicContact CB-CB 4.06Å; P45-Q48 HydrophobicContact CG-CB 4.45Å; P45-Q48 WeakPolarHBondContact O-CB 3.43Å; P45-Q48 PolarHBondContact O-N 3.49Å; L46-Q48 PolarHBondContact O-N 3.06Å; Q48-R52 WeakPolarHBondContact O-CB 3.35Å; Q48-R52 VanDerWaalsContact O-CG 3.3Å; Q48-R52 WeakPolarHBondContact O-CG 3.46Å; Q48-R52 PolarHBondContact O-N 3.04Å; Q48-Q516 PolarHBondContact NE2-O 2.91Å
49T98.5Very high98.1Very high0 Ų043.6 Ų43.60%023%0.228CC..Hα-helixtrans-66-44.4-179-56.50000110.9P45 L46 K47 R52 Y53 I518 H521 L522P45-T49 PolarHBondContact O-N 3.28Å; P45-T49 VanDerWaalsContact O-N 3.11Å; P45-T49 PolarHBondContact O-OG1 3.13Å; L46-T49 WeakPolarHBondContact O-CB 3.48Å; L46-T49 PolarHBondContact O-N 3.08Å; L46-T49 VanDerWaalsContact O-N 3.13Å; K47-T49 VanDerWaalsContact C-N 3.25Å; K47-T49 PolarHBondContact O-N 3.14Å; T49-R52 PolarHBondContact O-N 3.44Å; T49-Y53 VanDerWaalsContact O-CB 3.26Å; T49-Y53 WeakPolarHBondContact O-CB 3.21Å; T49-Y53 PolarHBondContact O-N 3.29Å; T49-I518 HydrophobicContact CG2-CB 3.9Å; T49-I518 HydrophobicContact CG2-CG2 3.95Å; T49-H521 HydrophobicContact CG2-CB 4.24Å; T49-H521 PolarHBondContact OG1-ND1 3.04Å; T49-L522 HydrophobicContact CG2-CD2 4.02Å; T49-L522 HydrophobicContact CG2-CG 3.98Å
50C98.4Very high98.1Very high3 Ų341.5 Ų41.52%0.0221%0.213CC..Hα-helixtrans-66.2-42.6178.8-61.70000112.5L46 K47 Y53 L54 I73 L77L46-C50 PolarHBondContact O-N 2.94Å; L46-C50 PolarHBondContact O-SG 2.98Å; K47-C50 PolarHBondContact O-N 3.02Å; C50-Y53 PolarHBondContact O-N 2.93Å; C50-L54 PolarHBondContact O-N 3.09Å; C50-L54 VanDerWaalsContact O-N 3.07Å; C50-I73 HydrophobicContact CB-CD1 4.47Å; C50-I73 HydrophobicContact CB-CG2 3.66Å; C50-L77 HydrophobicContact CB-CD1 4.13Å
51E98Very high98.2Very high108 Ų10838 Ų3851%0.50520%0.2SC..Hα-helixtrans-62.1-44.4176.7-73.2171.5166.500111.8K47 Y53 L54 A55K47-E51 WeakPolarHBondContact CE-OE1 3.32Å; K47-E51 HydrophobicContact CG-CG 4.47Å; K47-E51 IonicContact NZ-OE1 3.96Å; K47-E51 WeakPolarHBondContact O-CG 3.48Å; K47-E51 PolarHBondContact O-N 3.29Å; E51-Y53 VanDerWaalsContact C-N 3.35Å; E51-L54 PolarHBondContact O-N 2.97Å; E51-A55 PolarHBondContact O-N 3.44Å; E51-A55 VanDerWaalsContact O-N 3.14Å
52R98.3Very high98.1Very high81 Ų8140.2 Ų40.231%0.30622%0.216SC..Hα-helixtrans-69.8-32.4177.3-72.9177.1-177.5-165.5-4.9112.7Q48 T49 A55 A56 Q516 I518Q48-R52 WeakPolarHBondContact O-CB 3.35Å; Q48-R52 VanDerWaalsContact O-CG 3.3Å; Q48-R52 WeakPolarHBondContact O-CG 3.46Å; Q48-R52 PolarHBondContact O-N 3.04Å; T49-R52 PolarHBondContact O-N 3.44Å; R52-A55 PolarHBondContact O-N 2.82Å; R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 2.92Å; R52-Q516 PolarHBondContact NH1-O 2.79Å; R52-I518 HydrophobicContact CB-CG2 3.57Å
53Y98.6Very high98.1Very high5 Ų544.9 Ų44.92%0.0224%0.235CC..Hα-helixtrans-64.1-47.1174.7177.4-129000111.3T49 C50 E51 A55 A56 L57 T69 I73 I518 L522 S544 Y545 A548T49-Y53 VanDerWaalsContact O-CB 3.26Å; T49-Y53 WeakPolarHBondContact O-CB 3.21Å; T49-Y53 PolarHBondContact O-N 3.29Å; C50-Y53 PolarHBondContact O-N 2.93Å; E51-Y53 VanDerWaalsContact C-N 3.35Å; Y53-A55 VanDerWaalsContact C-N 3.34Å; Y53-A55 PolarHBondContact O-N 3.36Å; Y53-A56 PolarHBondContact O-N 3.3Å; Y53-A56 VanDerWaalsContact O-N 3.12Å; Y53-L57 HydrophobicContact CD1-CD1 4.35Å; Y53-L57 HydrophobicContact CD2-CD1 4.41Å; Y53-L57 HydrophobicContact CD2-CG 4.27Å; Y53-L57 HydrophobicContact CE1-CD1 3.87Å; Y53-L57 HydrophobicContact CE2-CD1 3.93Å; Y53-L57 HydrophobicContact CE2-CD2 3.89Å; Y53-L57 HydrophobicContact CE2-CG 3.86Å; Y53-L57 WeakPolarHBondContact O-CG 3.22Å; Y53-L57 PolarHBondContact O-N 2.91Å; Y53-L57 VanDerWaalsContact O-N 3.09Å; Y53-T69 HydrophobicContact CE1-CG2 4.01Å; Y53-I73 HydrophobicContact CD1-CD1 3.83Å; Y53-I73 HydrophobicContact CE1-CD1 4.35Å; Y53-I518 HydrophobicContact CD2-CD1 4.23Å; Y53-L522 HydrophobicContact CD2-CD1 3.94Å; Y53-L522 HydrophobicContact CE2-CD1 4.45Å; Y53-L522 HydrophobicContact CG-CD1 4.05Å; Y53-S544 VanDerWaalsContact OH-C 3.32Å; Y53-S544 PolarHBondContact OH-O 3.28Å; Y53-Y545 WeakPolarHBondContact OH-CA 3.45Å; Y53-Y545 WeakPolarHBondContact OH-CB 3.32Å; Y53-Y545 PolarHBondContact OH-N 3.25Å; Y53-Y545 VanDerWaalsContact OH-N 3.14Å; Y53-A548 HydrophobicContact CE2-CB 3.88Å
54L98.5Very high98.1Very high24 Ų2451.4 Ų51.413%0.12626%0.263CS..Hα-helixtrans-57.8-45173.3-73.2169.9000112.4C50 E51 A56 L57 E58 L66 T69 R70 I73C50-L54 PolarHBondContact O-N 3.09Å; C50-L54 VanDerWaalsContact O-N 3.07Å; E51-L54 PolarHBondContact O-N 2.97Å; L54-A56 VanDerWaalsContact C-N 3.25Å; L54-A56 PolarHBondContact O-N 3.38Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 2.69Å; L54-L57 VanDerWaalsContact O-N 3.1Å; L54-E58 PolarHBondContact O-N 2.91Å; L54-L66 HydrophobicContact CD2-CD1 3.93Å; L54-T69 HydrophobicContact CD2-CG2 3.98Å; L54-R70 HydrophobicContact CD1-CG 4.4Å; L54-R70 HydrophobicContact CD2-CB 4.4Å; L54-I73 HydrophobicContact CD1-CD1 3.93Å; L54-I73 HydrophobicContact CD1-CG2 4.41Å; L54-I73 HydrophobicContact CD2-CD1 3.68Å; L54-I73 HydrophobicContact CG-CD1 3.5Å; L54-I73 VanDerWaalsContact CG-CD1 3.5Å
55A97.9Very high98Very high53 Ų5354.1 Ų54.144%0.43828%0.275SS..Hα-helixtrans-63.8-30.8177.700000113.2E51 R52 Y53 L57E51-A55 PolarHBondContact O-N 3.44Å; E51-A55 VanDerWaalsContact O-N 3.14Å; R52-A55 PolarHBondContact O-N 2.82Å; Y53-A55 VanDerWaalsContact C-N 3.34Å; Y53-A55 PolarHBondContact O-N 3.36Å; A55-L57 VanDerWaalsContact C-N 3.34Å
56A97.9Very high98Very high14 Ų1451.2 Ų51.212%0.11626%0.256CS..Hα-helixtrans-77.2-20.1175.700000113.3R52 Y53 L54 I518R52-A56 WeakPolarHBondContact O-CB 3.49Å; R52-A56 PolarHBondContact O-N 2.92Å; Y53-A56 PolarHBondContact O-N 3.3Å; Y53-A56 VanDerWaalsContact O-N 3.12Å; L54-A56 VanDerWaalsContact C-N 3.25Å; L54-A56 PolarHBondContact O-N 3.38Å; A56-I518 HydrophobicContact CB-CD1 4.28Å
57L98.5Very high98Very high0 Ų054.5 Ų54.50%027%0.271CS..Hα-helixtrans-82.9-35176.9-72.5175.2000112.8Y53 L54 A55 P59 I60 V61 L66 T69 S544 A548Y53-L57 HydrophobicContact CD1-CD1 4.35Å; Y53-L57 HydrophobicContact CD2-CD1 4.41Å; Y53-L57 HydrophobicContact CD2-CG 4.27Å; Y53-L57 HydrophobicContact CE1-CD1 3.87Å; Y53-L57 HydrophobicContact CE2-CD1 3.93Å; Y53-L57 HydrophobicContact CE2-CD2 3.89Å; Y53-L57 HydrophobicContact CE2-CG 3.86Å; Y53-L57 WeakPolarHBondContact O-CG 3.22Å; Y53-L57 PolarHBondContact O-N 2.91Å; Y53-L57 VanDerWaalsContact O-N 3.09Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 2.69Å; L54-L57 VanDerWaalsContact O-N 3.1Å; A55-L57 VanDerWaalsContact C-N 3.34Å; L57-P59 VanDerWaalsContact C-N 3.3Å; L57-I60 HydrophobicContact CD2-CD1 4.29Å; L57-I60 VanDerWaalsContact O-CG1 3.23Å; L57-I60 WeakPolarHBondContact O-CG1 3.39Å; L57-I60 PolarHBondContact O-N 3.3Å; L57-V61 HydrophobicContact CB-CG2 4Å; L57-V61 HydrophobicContact CD2-CG1 4.06Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 3.32Å; L57-V61 VanDerWaalsContact O-N 3.11Å; L57-L66 HydrophobicContact CB-CD1 3.82Å; L57-L66 HydrophobicContact CD1-CD1 4.42Å; L57-T69 HydrophobicContact CD1-CG2 3.69Å; L57-S544 WeakPolarHBondContact CD2-O 3.19Å; L57-A548 HydrophobicContact CD2-CB 3.77Å
58E97.5Very high98.1Very high104 Ų10452.8 Ų52.849%0.48627%0.265SS..THydrogen-bonded Turntrans-43.9-42.8-176.2-170.3-179.9154.400115.1L54 L66 V475L54-E58 PolarHBondContact O-N 2.91Å; E58-L66 HydrophobicContact CB-CD2 4.33Å; E58-L66 HydrophobicContact CG-CD2 4.38Å; E58-V475 HydrophobicContact CB-CG2 3.94Å; E58-V475 HydrophobicContact CG-CG2 3.87Å; E58-V475 WeakPolarHBondContact OE2-CG2 3.47Å
59P97.4Very high98.1Very high14 Ų1450.8 Ų50.89%0.09126%0.255CS..THydrogen-bonded Turntrans-84.7-1.7179.434.1-37.2000115.5L57 T473 L478L57-P59 VanDerWaalsContact C-N 3.3Å; P59-T473 HydrophobicContact CB-CG2 4.18Å; P59-T473 HydrophobicContact CG-CG2 3.98Å; P59-L478 HydrophobicContact CB-CB 4.26Å; P59-L478 HydrophobicContact CB-CD2 3.99Å
60I97.5Very high98.1Very high27 Ų2755.3 Ų55.314%0.13827%0.272CS..THydrogen-bonded Turntrans-131.7-2.5-16957.8166.8000115.1L57 P452 T473 A548L57-I60 HydrophobicContact CD2-CD1 4.29Å; L57-I60 VanDerWaalsContact O-CG1 3.23Å; L57-I60 WeakPolarHBondContact O-CG1 3.39Å; L57-I60 PolarHBondContact O-N 3.3Å; I60-P452 HydrophobicContact CD1-CB 4.3Å; I60-P452 HydrophobicContact CD1-CG 4Å; I60-T473 HydrophobicContact CG2-CG2 3.7Å; I60-A548 HydrophobicContact CD1-CB 4.47Å
61V97.8Very high98.1Very high23 Ų2358.2 Ų58.214%0.13929%0.29CS..SBendtrans-131.2164.1174.1-56.40000110.7L57 E65 L66 V547L57-V61 HydrophobicContact CB-CG2 4Å; L57-V61 HydrophobicContact CD2-CG1 4.06Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 3.32Å; L57-V61 VanDerWaalsContact O-N 3.11Å; V61-E65 HydrophobicContact CB-CB 4.15Å; V61-E65 HydrophobicContact CG2-CB 4.36Å; V61-L66 HydrophobicContact CG2-CB 3.98Å; V61-L66 HydrophobicContact CG2-CD1 4.41Å; V61-V547 HydrophobicContact CG1-CB 4.26Å; V61-V547 HydrophobicContact CG1-CG1 4.03Å
62S97.8Very high98.1Very high54 Ų5453.6 Ų53.638%0.37827%0.269SS..  trans-70.2159.9173.865.80000112.2E64 E65 L66S62-E64 PolarHBondContact O-N 3.2Å; S62-E65 WeakPolarHBondContact CB-OE2 3.47Å; S62-E65 PolarHBondContact N-OE2 3.31Å; S62-E65 PolarHBondContact O-N 3.06Å; S62-E65 WeakPolarHBondContact OG-CB 3.39Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.11Å; S62-E65 PolarHBondContact OG-OE2 3.16Å; S62-L66 WeakPolarHBondContact O-CB 3.5Å; S62-L66 PolarHBondContact O-N 3.4Å
63E97.4Very high98.1Very high137 Ų13750.2 Ų50.264%0.6426%0.257SS*.Hα-helixtrans-60-35.6176.2-171.265.1-153.100112.1L66 E67E63-L66 PolarHBondContact O-N 3.33Å; E63-E67 PolarHBondContact O-N 3.02Å
64E98.2Very high97.9Very high166 Ų16653.9 Ų53.978%0.77627%0.274SS*.Hα-helixtrans-64.8-47.6177.4-177177-179.100111.6S62 L66 E67 H68S62-E64 PolarHBondContact O-N 3.2Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.19Å; E64-E67 PolarHBondContact O-N 2.64Å; E64-H68 PolarHBondContact O-N 3.24Å
65E98.3Very high97.8Very high61 Ų6158.4 Ų58.429%0.28530%0.295SS..Hα-helixtrans-64.5-38.8176.1-70166.3132.400111.8V61 S62 H68 T69 T543V61-E65 HydrophobicContact CB-CB 4.15Å; V61-E65 HydrophobicContact CG2-CB 4.36Å; S62-E65 WeakPolarHBondContact CB-OE2 3.47Å; S62-E65 PolarHBondContact N-OE2 3.31Å; S62-E65 PolarHBondContact O-N 3.06Å; S62-E65 WeakPolarHBondContact OG-CB 3.39Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.11Å; S62-E65 PolarHBondContact OG-OE2 3.16Å; E65-H68 PolarHBondContact O-N 3.2Å; E65-T69 PolarHBondContact O-N 3.04Å; E65-T69 PolarHBondContact O-OG1 3.14Å; E65-T543 WeakPolarHBondContact OE1-CG2 3.24Å
66L98.4Very high97.8Very high9 Ų956.3 Ų56.35%0.04728%0.276CS..Hα-helixtrans-63.7-42.5177.2-174.861.7000111.7L54 L57 E58 V61 S62 E63 E64 T69 R70L54-L66 HydrophobicContact CD2-CD1 3.93Å; L57-L66 HydrophobicContact CB-CD1 3.82Å; L57-L66 HydrophobicContact CD1-CD1 4.42Å; E58-L66 HydrophobicContact CB-CD2 4.33Å; E58-L66 HydrophobicContact CG-CD2 4.38Å; V61-L66 HydrophobicContact CG2-CB 3.98Å; V61-L66 HydrophobicContact CG2-CD1 4.41Å; S62-L66 WeakPolarHBondContact O-CB 3.5Å; S62-L66 PolarHBondContact O-N 3.4Å; E63-L66 PolarHBondContact O-N 3.33Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 3.19Å; L66-T69 WeakPolarHBondContact O-CB 3.48Å; L66-T69 PolarHBondContact O-N 3.35Å; L66-R70 PolarHBondContact O-N 3.32Å
67E98.4Very high97.6Very high84 Ų8457.6 Ų57.639%0.39328%0.28SS..Hα-helixtrans-70.1-38.4178.2-170.854.8-153.700111.8E63 E64 T69 R70 V71E63-E67 PolarHBondContact O-N 3.02Å; E64-E67 PolarHBondContact O-N 2.64Å; E67-T69 VanDerWaalsContact C-N 3.35Å; E67-T69 PolarHBondContact O-N 3Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 3.37Å; E67-R70 VanDerWaalsContact O-N 3.15Å; E67-R70 VanDerWaalsContact OE2-CD 3.31Å; E67-R70 WeakPolarHBondContact OE2-CD 3.3Å; E67-R70 IonicContact OE2-CZ 2.99Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 2.85Å; E67-V71 PolarHBondContact O-N 3.33Å; E67-V71 VanDerWaalsContact O-N 3.09Å
68H98.5Very high96.8Very high98 Ų9865 Ų6545%0.45431%0.313SS..Hα-helixtrans-56.4-49.3169.6179-106.5000111.5E64 E65 R70 V71 L72 D542E64-H68 PolarHBondContact O-N 3.24Å; E65-H68 PolarHBondContact O-N 3.2Å; H68-R70 VanDerWaalsContact C-N 3.25Å; H68-R70 PolarHBondContact O-N 2.93Å; H68-V71 WeakPolarHBondContact O-CB 3.44Å; H68-V71 PolarHBondContact O-N 3.1Å; H68-V71 VanDerWaalsContact O-N 3.13Å; H68-L72 PolarHBondContact O-N 2.9Å; H68-L72 VanDerWaalsContact O-N 3.14Å; H68-D542 IonicContact CE1-OD1 3.55Å; H68-D542 IonicContact ND1-OD1 3.15Å; H68-D542 PolarHBondContact ND1-OD1 3.07Å; H68-D542 VanDerWaalsContact ND1-OD1 3.15Å
69T98.6Very high95.9Very high1 Ų163 Ų631%0.00632%0.319CS..Hα-helixtrans-58.2-39.5176.4-51.50000111.6Y53 L54 L57 E65 L66 E67 V71 L72 I73 D542 S544Y53-T69 HydrophobicContact CE1-CG2 4.01Å; L54-T69 HydrophobicContact CD2-CG2 3.98Å; L57-T69 HydrophobicContact CD1-CG2 3.69Å; E65-T69 PolarHBondContact O-N 3.04Å; E65-T69 PolarHBondContact O-OG1 3.14Å; L66-T69 WeakPolarHBondContact O-CB 3.48Å; L66-T69 PolarHBondContact O-N 3.35Å; E67-T69 VanDerWaalsContact C-N 3.35Å; E67-T69 PolarHBondContact O-N 3Å; T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 PolarHBondContact O-N 3.2Å; T69-L72 PolarHBondContact O-N 2.85Å; T69-I73 HydrophobicContact CG2-CD1 3.89Å; T69-I73 HydrophobicContact CG2-CG1 4.38Å; T69-I73 WeakPolarHBondContact O-CB 3.31Å; T69-I73 WeakPolarHBondContact O-CG1 3.09Å; T69-I73 PolarHBondContact O-N 3.11Å; T69-D542 PolarHBondContact OG1-OD2 3.33Å; T69-S544 WeakPolarHBondContact OG1-CB 3.22Å; T69-S544 PolarHBondContact OG1-OG 3.26Å
70R98.4Very high95.4Very high95 Ų9563.3 Ų63.336%0.35833%0.325SS..Hα-helixtrans-61-41.4178.8-168-169.3-61.9-82.3-3.3111.2L54 L66 E67 H68 I73 Q74L54-R70 HydrophobicContact CD1-CG 4.4Å; L54-R70 HydrophobicContact CD2-CB 4.4Å; L66-R70 PolarHBondContact O-N 3.32Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 3.37Å; E67-R70 VanDerWaalsContact O-N 3.15Å; E67-R70 VanDerWaalsContact OE2-CD 3.31Å; E67-R70 WeakPolarHBondContact OE2-CD 3.3Å; E67-R70 IonicContact OE2-CZ 2.99Å; E67-R70 IonicContact OE2-NE 3.8Å; E67-R70 PolarHBondContact OE2-NE 2.85Å; H68-R70 VanDerWaalsContact C-N 3.25Å; H68-R70 PolarHBondContact O-N 2.93Å; R70-I73 PolarHBondContact O-N 3.4Å; R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 2.91Å; R70-Q74 VanDerWaalsContact O-N 3.08Å
71V97.8Very high95.3Very high65 Ų6564.5 Ų64.539%0.39433%0.334SS..Hα-helixtrans-61.5-50.9174.8175.60000110.4E67 H68 T69 I73 Q74 E75E67-V71 PolarHBondContact O-N 3.33Å; E67-V71 VanDerWaalsContact O-N 3.09Å; H68-V71 WeakPolarHBondContact O-CB 3.44Å; H68-V71 PolarHBondContact O-N 3.1Å; H68-V71 VanDerWaalsContact O-N 3.13Å; T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 PolarHBondContact O-N 3.2Å; V71-I73 VanDerWaalsContact C-N 3.3Å; V71-I73 PolarHBondContact O-N 3.45Å; V71-Q74 WeakPolarHBondContact O-CB 3.17Å; V71-Q74 PolarHBondContact O-N 2.81Å; V71-E75 PolarHBondContact O-N 3.32Å; V71-E75 VanDerWaalsContact O-N 3.13Å
72L98Very high95.3Very high11 Ų1163.4 Ų63.46%0.05833%0.327CS..Hα-helixtrans-58.8-39.7179.4-62.3-178.6000112.6H68 T69 E75 F76 E538 I539 D542H68-L72 PolarHBondContact O-N 2.9Å; H68-L72 VanDerWaalsContact O-N 3.14Å; T69-L72 PolarHBondContact O-N 2.85Å; L72-E75 PolarHBondContact O-N 3.41Å; L72-F76 WeakPolarHBondContact O-CB 3.49Å; L72-F76 PolarHBondContact O-N 3.29Å; L72-E538 HydrophobicContact CD1-CB 4.46Å; L72-E538 HydrophobicContact CD2-CB 4Å; L72-I539 HydrophobicContact CB-CG2 3.76Å; L72-D542 HydrophobicContact CD1-CB 3.79Å
73I97.8Very high95.2Very high9 Ų964.7 Ų64.75%0.04633%0.327CS..Hα-helixtrans-66.5-38176.8-78173.4000112C50 Y53 L54 T69 R70 V71 E75 F76 L77 I539C50-I73 HydrophobicContact CB-CD1 4.47Å; C50-I73 HydrophobicContact CB-CG2 3.66Å; Y53-I73 HydrophobicContact CD1-CD1 3.83Å; Y53-I73 HydrophobicContact CE1-CD1 4.35Å; L54-I73 HydrophobicContact CD1-CD1 3.93Å; L54-I73 HydrophobicContact CD1-CG2 4.41Å; L54-I73 HydrophobicContact CD2-CD1 3.68Å; L54-I73 HydrophobicContact CG-CD1 3.5Å; L54-I73 VanDerWaalsContact CG-CD1 3.5Å; T69-I73 HydrophobicContact CG2-CD1 3.89Å; T69-I73 HydrophobicContact CG2-CG1 4.38Å; T69-I73 WeakPolarHBondContact O-CB 3.31Å; T69-I73 WeakPolarHBondContact O-CG1 3.09Å; T69-I73 PolarHBondContact O-N 3.11Å; R70-I73 PolarHBondContact O-N 3.4Å; V71-I73 VanDerWaalsContact C-N 3.3Å; V71-I73 PolarHBondContact O-N 3.45Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 2.98Å; I73-F76 PolarHBondContact O-N 2.93Å; I73-L77 HydrophobicContact CG2-CD1 3.9Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CB 3.09Å; I73-L77 WeakPolarHBondContact O-CG 3.39Å; I73-L77 PolarHBondContact O-N 3.41Å; I73-I539 HydrophobicContact CG1-CG2 4.42Å
74Q96.4Very high95.2Very high83 Ų8363.2 Ų63.239%0.38832%0.316SS..Hα-helixtrans-62.4-41.9175.9-73.5-176.341.400111.5R70 V71 L77 K78R70-Q74 WeakPolarHBondContact O-CG 3.41Å; R70-Q74 PolarHBondContact O-N 2.91Å; R70-Q74 VanDerWaalsContact O-N 3.08Å; V71-Q74 WeakPolarHBondContact O-CB 3.17Å; V71-Q74 PolarHBondContact O-N 2.81Å; Q74-L77 PolarHBondContact O-N 3.36Å; Q74-K78 WeakPolarHBondContact O-CG 3.39Å; Q74-K78 PolarHBondContact O-N 3.08Å; Q74-K78 VanDerWaalsContact O-N 3.16Å
75E95.8Very high95.2Very high119 Ų11955.3 Ų55.356%0.55628%0.279SS*.Hα-helixtrans-67.5-37.9175.5-65.9-178.2172.300112V71 L72 I73 L77 G80V71-E75 PolarHBondContact O-N 3.32Å; V71-E75 VanDerWaalsContact O-N 3.13Å; L72-E75 PolarHBondContact O-N 3.41Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 2.98Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.04Å; E75-G80 WeakPolarHBondContact O-CA 3.48Å
76F97.2Very high95.2Very high9 Ų953.1 Ų53.14%0.03927%0.268CS..Hα-helixtrans-64.2-34.1177.3-170-115000112.9L46 L72 I73 G82 L85 L525 P537 I539L46-F76 HydrophobicContact CD1-CD1 4.49Å; L46-F76 HydrophobicContact CD1-CE1 3.8Å; L72-F76 WeakPolarHBondContact O-CB 3.49Å; L72-F76 PolarHBondContact O-N 3.29Å; I73-F76 PolarHBondContact O-N 2.93Å; F76-G82 VanDerWaalsContact O-CA 3.3Å; F76-G82 WeakPolarHBondContact O-CA 3.45Å; F76-G82 PolarHBondContact O-N 3.05Å; F76-L85 HydrophobicContact CE2-CD1 4Å; F76-L85 HydrophobicContact CZ-CD1 4.13Å; F76-L525 HydrophobicContact CE1-CD1 4.27Å; F76-L525 HydrophobicContact CZ-CD1 4.34Å; F76-P537 HydrophobicContact CD2-CB 4.37Å; F76-P537 HydrophobicContact CE2-CB 4Å; F76-P537 HydrophobicContact CE2-CG 4.28Å; F76-I539 HydrophobicContact CB-CG2 4.06Å; F76-I539 HydrophobicContact CD1-CD1 3.73Å; F76-I539 HydrophobicContact CD2-CD1 3.83Å; F76-I539 HydrophobicContact CD2-CG1 4.05Å; F76-I539 HydrophobicContact CE1-CD1 3.5Å; F76-I539 HydrophobicContact CE2-CD1 3.65Å; F76-I539 HydrophobicContact CE2-CG1 4.08Å; F76-I539 HydrophobicContact CG-CD1 3.88Å; F76-I539 HydrophobicContact CG-CG1 4.37Å; F76-I539 HydrophobicContact CG-CG2 4.27Å; F76-I539 HydrophobicContact CZ-CD1 3.47Å; F76-I539 VanDerWaalsContact CZ-CD1 3.47Å; F76-I539 HydrophobicContact CZ-CG1 4.39Å
77L94.1Very high95.2Very high40 Ų4058 Ų5821%0.20929%0.289CS..Hα-helixtrans-86.6-48.3-176.2-73.4173.6000114.9L46 C50 I73 Q74 E75 G79L46-L77 HydrophobicContact CB-CD2 4.39Å; L46-L77 HydrophobicContact CD2-CD2 3.71Å; L46-L77 HydrophobicContact CG-CD2 3.65Å; C50-L77 HydrophobicContact CB-CD1 4.13Å; I73-L77 HydrophobicContact CG2-CD1 3.9Å; I73-L77 HydrophobicContact CG2-CG 4.43Å; I73-L77 WeakPolarHBondContact O-CB 3.09Å; I73-L77 WeakPolarHBondContact O-CG 3.39Å; I73-L77 PolarHBondContact O-N 3.41Å; Q74-L77 PolarHBondContact O-N 3.36Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.04Å; L77-G79 VanDerWaalsContact C-N 3.35Å; L77-G79 PolarHBondContact O-N 2.95Å
78K81.9Confident95.1Very high157 Ų15754.1 Ų54.168%0.68327%0.272SS*.SBendtrans-73.474.2-165.2-70.7175.1-177.6165.50113.3Q74 G80Q74-K78 WeakPolarHBondContact O-CG 3.39Å; Q74-K78 PolarHBondContact O-N 3.08Å; Q74-K78 VanDerWaalsContact O-N 3.16Å; K78-G80 PolarHBondContact O-N 3.06Å
79G78.4Confident95.1Very high61 Ų6149.4 Ų49.463%0.62925%0.25SC*.SBendtrans65.514.5-171.200000113.1L77 E83L77-G79 VanDerWaalsContact C-N 3.35Å; L77-G79 PolarHBondContact O-N 2.95Å; G79-E83 PolarHBondContact N-OE1 3.43Å
80G86.9Confident95.1Very high21 Ų2152.8 Ų52.822%0.21627%0.265CS..SBendtrans-80.5-172.3-175.100000113.6E75 K78 G82 E83E75-G80 WeakPolarHBondContact O-CA 3.48Å; K78-G80 PolarHBondContact O-N 3.06Å; G80-G82 PolarHBondContact O-N 3.35Å; G80-G82 VanDerWaalsContact O-N 3.17Å; G80-E83 PolarHBondContact O-N 3.29Å
81V95.9Very high95.1Very high51 Ų5153.3 Ų53.331%0.30927%0.268SS..Hα-helixtrans-58-31.9-179.1173.40000112E83 R84 L85 P537V81-E83 PolarHBondContact O-N 3.19Å; V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.83Å; V81-R84 VanDerWaalsContact O-N 3.16Å; V81-L85 HydrophobicContact CG1-CD1 3.82Å; V81-L85 HydrophobicContact CG1-CG 4.01Å; V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 3.44Å; V81-L85 VanDerWaalsContact O-N 3.11Å; V81-P537 HydrophobicContact CG1-CG 3.97Å
82G97.4Very high95.1Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-60.3-39.8-17900000113.8L46 F76 G80 R84 L85 Q86L46-G82 WeakPolarHBondContact CD2-O 3.49Å; F76-G82 VanDerWaalsContact O-CA 3.3Å; F76-G82 WeakPolarHBondContact O-CA 3.45Å; F76-G82 PolarHBondContact O-N 3.05Å; G80-G82 PolarHBondContact O-N 3.35Å; G80-G82 VanDerWaalsContact O-N 3.17Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3Å; G82-L85 PolarHBondContact O-N 2.89Å; G82-Q86 VanDerWaalsContact O-CB 3.31Å; G82-Q86 WeakPolarHBondContact O-CB 3.23Å; G82-Q86 PolarHBondContact O-N 3.49Å
83E96.3Very high95.1Very high82 Ų8252.4 Ų52.438%0.38326%0.26SS..Hα-helixtrans-64.7-36.5177.4-68.6-169.6-17900112.4G79 G80 V81 K87G79-E83 PolarHBondContact N-OE1 3.43Å; G80-E83 PolarHBondContact O-N 3.29Å; V81-E83 PolarHBondContact O-N 3.19Å; E83-K87 VanDerWaalsContact O-CG 3.31Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 3.47Å; E83-K87 VanDerWaalsContact O-N 3.08Å
84R96.4Very high95.1Very high106 Ų10659.7 Ų59.740%0.429%0.288SS..Hα-helixtrans-64.8-47176.3-177-17969.3-1322.2110.6V81 G82 K87 G88V81-R84 WeakPolarHBondContact O-CB 3.45Å; V81-R84 PolarHBondContact O-N 2.83Å; V81-R84 VanDerWaalsContact O-N 3.16Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3Å; R84-K87 PolarHBondContact O-N 3.15Å; R84-G88 PolarHBondContact O-N 3Å
85L98.3Very high95.2Very high0 Ų064.3 Ų64.30%031%0.306CS..Hα-helixtrans-64.4-43.7179.1-62.2177.7000111.5F76 V81 G82 K87 G88 L89 L525 Q528 P537F76-L85 HydrophobicContact CE2-CD1 4Å; F76-L85 HydrophobicContact CZ-CD1 4.13Å; V81-L85 HydrophobicContact CG1-CD1 3.82Å; V81-L85 HydrophobicContact CG1-CG 4.01Å; V81-L85 WeakPolarHBondContact O-CG 3.32Å; V81-L85 PolarHBondContact O-N 3.44Å; V81-L85 VanDerWaalsContact O-N 3.11Å; G82-L85 PolarHBondContact O-N 2.89Å; L85-K87 PolarHBondContact O-N 2.96Å; L85-G88 CarbonylContact O-C 3.54Å; L85-G88 VanDerWaalsContact O-CA 3.32Å; L85-G88 WeakPolarHBondContact O-CA 3.32Å; L85-G88 PolarHBondContact O-N 3.13Å; L85-L89 PolarHBondContact O-N 3.26Å; L85-L525 HydrophobicContact CB-CD2 3.63Å; L85-Q528 HydrophobicContact CB-CG 4.47Å; L85-Q528 HydrophobicContact CD2-CB 4.19Å; L85-Q528 HydrophobicContact CD2-CG 3.95Å; L85-P537 HydrophobicContact CD1-CG 3.81Å
86Q98.4Very high95.2Very high14 Ų1460.4 Ų60.47%0.06529%0.29CS..Hα-helixtrans-54.2-50.1173.8178.469.624.400111.4P44 L46 G82 G88 L89 E90 H521P44-Q86 PolarHBondContact O-NE2 3.47Å; P44-Q86 VanDerWaalsContact O-NE2 3.14Å; L46-Q86 HydrophobicContact CB-CB 4.44Å; L46-Q86 HydrophobicContact CB-CG 4.24Å; L46-Q86 HydrophobicContact CD2-CB 4.3Å; G82-Q86 VanDerWaalsContact O-CB 3.31Å; G82-Q86 WeakPolarHBondContact O-CB 3.23Å; G82-Q86 PolarHBondContact O-N 3.49Å; Q86-G88 PolarHBondContact O-N 3.46Å; Q86-L89 PolarHBondContact O-N 3.32Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.48Å; Q86-E90 PolarHBondContact NE2-OE1 3.23Å; Q86-E90 WeakPolarHBondContact O-CG 3.31Å; Q86-E90 PolarHBondContact O-N 3.31Å; Q86-H521 PolarHBondContact OE1-CE1 3.31Å; Q86-H521 PolarHBondContact OE1-NE2 2.93Å
87K97.5Very high95.2Very high112 Ų11263 Ų6349%0.48731%0.305SS..Hα-helixtrans-61.2-33.1176.4-72.3169.8-176165.50111.9E83 R84 L85 R91E83-K87 VanDerWaalsContact O-CG 3.31Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 3.47Å; E83-K87 VanDerWaalsContact O-N 3.08Å; R84-K87 PolarHBondContact O-N 3.15Å; L85-K87 PolarHBondContact O-N 2.96Å; K87-R91 WeakPolarHBondContact O-CB 3.39Å; K87-R91 VanDerWaalsContact O-CG 3.29Å; K87-R91 WeakPolarHBondContact O-CG 3.38Å; K87-R91 PolarHBondContact O-N 3.4Å; K87-R91 PolarHBondContact O-NH1 3.06Å
88G98Very high95.4Very high2 Ų261.5 Ų61.52%0.02130%0.297CS..Hα-helixtrans-60.6-52.1171.800000112.5R84 L85 Q86 E90 R91 R92R84-G88 PolarHBondContact O-N 3Å; L85-G88 CarbonylContact O-C 3.54Å; L85-G88 VanDerWaalsContact O-CA 3.32Å; L85-G88 WeakPolarHBondContact O-CA 3.32Å; L85-G88 PolarHBondContact O-N 3.13Å; Q86-G88 PolarHBondContact O-N 3.46Å; G88-E90 PolarHBondContact O-N 2.94Å; G88-R91 WeakPolarHBondContact O-CB 3.41Å; G88-R91 PolarHBondContact O-N 2.88Å; G88-R91 VanDerWaalsContact O-N 3.16Å; G88-R92 PolarHBondContact O-N 3.07Å
89L98.1Very high96.2Very high0 Ų054.2 Ų54.20%027%0.265CS..Hα-helixtrans-61.1-43.2177.2-66.9-172000113V43 L85 Q86 R91 R92 A93 W99 W103 L525 Q528V43-L89 HydrophobicContact CG1-CB 4.04Å; V43-L89 HydrophobicContact CG1-CD1 4.42Å; V43-L89 HydrophobicContact CG2-CB 4.36Å; L85-L89 PolarHBondContact O-N 3.26Å; Q86-L89 PolarHBondContact O-N 3.32Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.32Å; L89-R92 WeakPolarHBondContact O-CB 3.06Å; L89-R92 PolarHBondContact O-N 2.83Å; L89-R92 VanDerWaalsContact O-N 3.1Å; L89-A93 WeakPolarHBondContact O-CB 3.48Å; L89-A93 PolarHBondContact O-N 3.11Å; L89-W99 HydrophobicContact CD2-CE3 4.29Å; L89-W99 HydrophobicContact CD2-CZ3 4.35Å; L89-W103 HydrophobicContact CD2-CH2 3.59Å; L89-W103 HydrophobicContact CD2-CZ3 3.38Å; L89-L525 HydrophobicContact CD1-CD2 3.56Å; L89-L525 HydrophobicContact CD1-CG 3.74Å; L89-L525 HydrophobicContact CG-CD2 4.22Å; L89-Q528 HydrophobicContact CD2-CB 3.97Å; L89-Q528 HydrophobicContact CD2-CG 4.44Å; L89-Q528 HydrophobicContact CG-CB 4.42Å
90E98.6Very high97.1Very high71 Ų7151.7 Ų51.733%0.33224%0.237SC..Hα-helixtrans-63.2-37.8176.3-70.6171-17800111.9V43 Q86 G88 R94V43-E90 HydrophobicContact CB-CG 4.45Å; V43-E90 HydrophobicContact CG1-CG 4.42Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.48Å; Q86-E90 PolarHBondContact NE2-OE1 3.23Å; Q86-E90 WeakPolarHBondContact O-CG 3.31Å; Q86-E90 PolarHBondContact O-N 3.31Å; G88-E90 PolarHBondContact O-N 2.94Å; E90-R94 WeakPolarHBondContact O-CG 3.39Å; E90-R94 PolarHBondContact O-N 3.05Å; E90-R94 VanDerWaalsContact O-N 3.16Å; E90-R94 PolarHBondContact O-NH1 2.85Å
91R98.4Very high97.5Very high107 Ų10752.8 Ų52.840%0.40424%0.241SC..Hα-helixtrans-63.4-42.6171.5-77.1-174.5-53.5-96.87111.1K87 G88 L89 R94 K95K87-R91 WeakPolarHBondContact O-CB 3.39Å; K87-R91 VanDerWaalsContact O-CG 3.29Å; K87-R91 WeakPolarHBondContact O-CG 3.38Å; K87-R91 PolarHBondContact O-N 3.4Å; K87-R91 PolarHBondContact O-NH1 3.06Å; G88-R91 WeakPolarHBondContact O-CB 3.41Å; G88-R91 PolarHBondContact O-N 2.88Å; G88-R91 VanDerWaalsContact O-N 3.16Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.32Å; R91-R94 VanDerWaalsContact CG-NH2 3.33Å; R91-R94 PolarHBondContact O-N 3.48Å; R91-K95 WeakPolarHBondContact O-CG 3.3Å; R91-K95 PolarHBondContact O-N 2.81Å
92R98.3Very high97.6Very high36 Ų3655.9 Ų55.914%0.13625%0.253CS..Hα-helixtrans-60.7-49.5176.5-173.2174.6176.286.29.4110.8G88 L89 R94 K95 T96 W99 E102 W103 E531G88-R92 PolarHBondContact O-N 3.07Å; L89-R92 WeakPolarHBondContact O-CB 3.06Å; L89-R92 PolarHBondContact O-N 2.83Å; L89-R92 VanDerWaalsContact O-N 3.1Å; R92-R94 VanDerWaalsContact C-N 3.25Å; R92-R94 PolarHBondContact O-N 3.23Å; R92-K95 WeakPolarHBondContact O-CA 3.26Å; R92-K95 PolarHBondContact O-N 3.12Å; R92-T96 HydrophobicContact CG-CG2 4.19Å; R92-T96 PolarHBondContact O-N 2.98Å; R92-T96 PolarHBondContact O-OG1 3.48Å; R92-W99 HydrophobicContact CB-CB 4.44Å; R92-W99 HydrophobicContact CG-CB 4.04Å; R92-W99 PolarHBondContact NE-O 3.26Å; R92-E102 IonicContact NH2-OE2 2.89Å; R92-E102 PolarHBondContact NH2-OE2 3.09Å; R92-W103 VanDerWaalsContact CD-CH2 3.4Å; R92-W103 VanDerWaalsContact CD-CZ2 3.47Å; R92-W103 VanDerWaalsContact CZ-CE2 3.5Å; R92-E531 IonicContact NH1-OE1 2.91Å
93A98.1Very high97.6Very high20 Ų2056.4 Ų56.417%0.16526%0.255CS..Hα-helixtrans-57.5-33.217800000114.1V43 L89 W99V43-A93 HydrophobicContact CG2-CB 3.77Å; L89-A93 WeakPolarHBondContact O-CB 3.48Å; L89-A93 PolarHBondContact O-N 3.11Å; A93-W99 HydrophobicContact CB-CB 4.02Å; A93-W99 HydrophobicContact CB-CG 4.21Å
94R97.6Very high97.6Very high163 Ų16353.6 Ų53.662%0.61524%0.241SC*.Hα-helixtrans-69.2-35.8172.1-72.7-171.7-68-85.87112.9E90 R91 R92E90-R94 WeakPolarHBondContact O-CG 3.39Å; E90-R94 PolarHBondContact O-N 3.05Å; E90-R94 VanDerWaalsContact O-N 3.16Å; E90-R94 PolarHBondContact O-NH1 2.85Å; R91-R94 VanDerWaalsContact CG-NH2 3.33Å; R91-R94 PolarHBondContact O-N 3.48Å; R92-R94 VanDerWaalsContact C-N 3.25Å; R92-R94 PolarHBondContact O-N 3.23Å
95K97.2Very high97.6Very high179 Ų17950.5 Ų50.578%0.77823%0.231SC*.Hα-helixtrans-87.1-18.4-174.4-68.8179.3179-173.70114.5R91 R92R91-K95 WeakPolarHBondContact O-CG 3.3Å; R91-K95 PolarHBondContact O-N 2.81Å; R92-K95 WeakPolarHBondContact O-CA 3.26Å; R92-K95 PolarHBondContact O-N 3.12Å
96T96.9Very high97.5Very high37 Ų3753 Ų5323%0.22724%0.243CC..SBendtrans-116.3160.9-177.158.60000111.7K40 R92 N98 W99K40-T96 WeakPolarHBondContact CE-O 3.37Å; K40-T96 PolarHBondContact NZ-O 3.48Å; R92-T96 HydrophobicContact CG-CG2 4.19Å; R92-T96 PolarHBondContact O-N 2.98Å; R92-T96 PolarHBondContact O-OG1 3.48Å; T96-N98 PolarHBondContact OG1-O 3.09Å; T96-W99 VanDerWaalsContact OG1-CA 3.28Å; T96-W99 WeakPolarHBondContact OG1-CA 3.41Å; T96-W99 PolarHBondContact OG1-N 3.41Å
97D96.1Very high97.3Very high64 Ų6454.4 Ų54.434%0.34225%0.254SS..SBendtrans-71.8-32.2169.4-86-33.4000112.9K40 K463 Y464K40-D97 WeakPolarHBondContact CG-O 3.38Å; D97-K463 HydrophobicContact CB-CD 4.03Å; D97-K463 IonicContact OD1-NZ 3.01Å; D97-K463 PolarHBondContact OD1-NZ 2.83Å; D97-K463 WeakPolarHBondContact OD2-CE 3.43Å; D97-K463 IonicContact OD2-NZ 3.16Å; D97-K463 PolarHBondContact OD2-NZ 3.44Å; D97-Y464 HydrophobicContact CB-CD2 3.86Å; D97-Y464 HydrophobicContact CB-CE2 3.71Å
98N98.2Very high97.1Very high8 Ų851.1 Ų51.14%0.04324%0.244CC..  trans-146.8121.8172.6-174.8-47.1000107.2T96 L100 S101 K463 Y464T96-N98 PolarHBondContact OG1-O 3.09Å; N98-L100 PolarHBondContact O-N 2.97Å; N98-L100 WeakPolarHBondContact OD1-CB 3.48Å; N98-L100 PolarHBondContact OD1-N 3.13Å; N98-S101 PolarHBondContact O-OG 3.05Å; N98-S101 PolarHBondContact OD1-N 3.47Å; N98-S101 VanDerWaalsContact OD1-N 3.14Å; N98-K463 WeakPolarHBondContact CB-O 3.48Å; N98-K463 PolarHBondContact ND2-O 3.14Å; N98-Y464 HydrophobicContact CB-CD2 4.49Å; N98-Y464 PolarHBondContact ND2-O 2.89Å
99W98.4Very high97.1Very high5 Ų551.5 Ų51.52%0.01925%0.245CC..SBendtrans-69.7-21.6-174.764.9-96.4000112.9L41 P42 V43 L89 R92 A93 T96 W103 R520L41-W99 HydrophobicContact CD2-CZ2 4.24Å; P42-W99 PolarHBondContact O-NE1 3.2Å; V43-W99 HydrophobicContact CG2-CG 4.34Å; L89-W99 HydrophobicContact CD2-CE3 4.29Å; L89-W99 HydrophobicContact CD2-CZ3 4.35Å; R92-W99 HydrophobicContact CB-CB 4.44Å; R92-W99 HydrophobicContact CG-CB 4.04Å; R92-W99 PolarHBondContact NE-O 3.26Å; A93-W99 HydrophobicContact CB-CB 4.02Å; A93-W99 HydrophobicContact CB-CG 4.21Å; T96-W99 VanDerWaalsContact OG1-CA 3.28Å; T96-W99 WeakPolarHBondContact OG1-CA 3.41Å; T96-W99 PolarHBondContact OG1-N 3.41Å; W99-W103 HydrophobicContact CE3-CE3 4.17Å; W99-W103 HydrophobicContact CE3-CZ3 4.07Å; W99-W103 HydrophobicContact CZ3-CE3 4.23Å; W99-W103 HydrophobicContact CZ3-CZ3 4.18Å; W99-R520 WeakPolarHBondContact CH2-O 3.43Å
100L98.3Very high97Very high7 Ų752.6 Ų52.64%0.03725%0.25CS..SBendtrans-100-28.6-171.9178.566.9000113.2L41 N98 E102 W103 W104 R520L41-L100 HydrophobicContact CD2-CB 3.73Å; L41-L100 HydrophobicContact CD2-CD2 3.85Å; L41-L100 HydrophobicContact CD2-CG 4.48Å; N98-L100 PolarHBondContact O-N 2.97Å; N98-L100 WeakPolarHBondContact OD1-CB 3.48Å; N98-L100 PolarHBondContact OD1-N 3.13Å; L100-E102 PolarHBondContact O-N 3.01Å; L100-W103 PolarHBondContact O-N 2.83Å; L100-W103 VanDerWaalsContact O-N 3.12Å; L100-W104 HydrophobicContact CD1-CB 4.13Å; L100-W104 HydrophobicContact CG-CB 3.95Å; L100-W104 WeakPolarHBondContact O-CB 3.5Å; L100-W104 PolarHBondContact O-N 3.3Å; L100-R520 HydrophobicContact CD1-CB 4.19Å; L100-R520 HydrophobicContact CD2-CB 3.56Å; L100-R520 HydrophobicContact CD2-CG 3.56Å
101S96.2Very high97Very high44 Ų4452.1 Ų52.131%0.30825%0.25SS..Hα-helixtrans-52.8-50.3-165.456.70000114.1N98 M105N98-S101 PolarHBondContact O-OG 3.05Å; N98-S101 PolarHBondContact OD1-N 3.47Å; N98-S101 VanDerWaalsContact OD1-N 3.14Å; S101-M105 VanDerWaalsContact O-CB 3.25Å; S101-M105 WeakPolarHBondContact O-CB 3.4Å; S101-M105 PolarHBondContact O-N 2.73Å
102E96.4Very high96.8Very high117 Ų11748.9 Ų48.955%0.54724%0.243SC..Hα-helixtrans-63.9-48.9178.1-178.5-174-166.100111.8R92 L100 W104 M105 Q106R92-E102 IonicContact NH2-OE2 2.89Å; R92-E102 PolarHBondContact NH2-OE2 3.09Å; L100-E102 PolarHBondContact O-N 3.01Å; E102-W104 PolarHBondContact O-N 3.08Å; E102-M105 PolarHBondContact O-N 3.04Å; E102-Q106 VanDerWaalsContact O-CB 3.27Å; E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.2Å
103W97.8Very high96.8Very high10 Ų1048.8 Ų48.84%0.03824%0.243CC..Hα-helixtrans-62-45.9-179.5-76.1-15.2000111.8L89 R92 W99 L100 Q106 S107 I527 Q528 E531L89-W103 HydrophobicContact CD2-CH2 3.59Å; L89-W103 HydrophobicContact CD2-CZ3 3.38Å; R92-W103 VanDerWaalsContact CD-CH2 3.4Å; R92-W103 VanDerWaalsContact CD-CZ2 3.47Å; R92-W103 VanDerWaalsContact CZ-CE2 3.5Å; W99-W103 HydrophobicContact CE3-CE3 4.17Å; W99-W103 HydrophobicContact CE3-CZ3 4.07Å; W99-W103 HydrophobicContact CZ3-CE3 4.23Å; W99-W103 HydrophobicContact CZ3-CZ3 4.18Å; L100-W103 PolarHBondContact O-N 2.83Å; L100-W103 VanDerWaalsContact O-N 3.12Å; W103-Q106 PolarHBondContact O-N 3.03Å; W103-S107 WeakPolarHBondContact O-CB 3.43Å; W103-S107 PolarHBondContact O-N 2.91Å; W103-S107 PolarHBondContact O-OG 3.41Å; W103-I527 HydrophobicContact CB-CD1 3.85Å; W103-I527 HydrophobicContact CD2-CB 4.18Å; W103-I527 HydrophobicContact CD2-CD1 4.29Å; W103-I527 HydrophobicContact CD2-CG2 3.62Å; W103-I527 VanDerWaalsContact CE2-CG2 3.42Å; W103-I527 HydrophobicContact CE3-CB 4.2Å; W103-I527 HydrophobicContact CE3-CD1 4.43Å; W103-I527 HydrophobicContact CE3-CG2 4.13Å; W103-I527 HydrophobicContact CG-CD1 4.09Å; W103-I527 HydrophobicContact CG-CG2 3.95Å; W103-I527 HydrophobicContact CH2-CG2 4.26Å; W103-I527 HydrophobicContact CZ2-CG2 3.78Å; W103-I527 HydrophobicContact CZ3-CB 4.36Å; W103-I527 HydrophobicContact CZ3-CG2 4.42Å; W103-Q528 HydrophobicContact CH2-CB 4.21Å; W103-E531 VanDerWaalsContact CZ2-CD 3.48Å; W103-E531 HydrophobicContact CZ2-CG 4.39Å; W103-E531 WeakPolarHBondContact CZ2-OE1 3.46Å; W103-E531 WeakPolarHBondContact CZ2-OE2 3.26Å; W103-E531 PolarHBondContact NE1-OE1 2.97Å
104W97.2Very high96.8Very high24 Ų2451.7 Ų51.79%0.09125%0.254CS..Hα-helixtrans-62.7-47.3177.4178.3-109.4000112L100 E102 Q106 T108 Y109 R520 L523L100-W104 HydrophobicContact CD1-CB 4.13Å; L100-W104 HydrophobicContact CG-CB 3.95Å; L100-W104 WeakPolarHBondContact O-CB 3.5Å; L100-W104 PolarHBondContact O-N 3.3Å; E102-W104 PolarHBondContact O-N 3.08Å; W104-Q106 VanDerWaalsContact C-N 3.26Å; W104-Q106 PolarHBondContact O-N 2.65Å; W104-T108 HydrophobicContact CH2-CG2 3.71Å; W104-T108 VanDerWaalsContact CH2-OG1 3.27Å; W104-T108 WeakPolarHBondContact CH2-OG1 3.49Å; W104-T108 HydrophobicContact CZ2-CG2 3.66Å; W104-T108 HydrophobicContact CZ3-CG2 4.27Å; W104-T108 WeakPolarHBondContact CZ3-OG1 3.29Å; W104-T108 WeakPolarHBondContact O-CB 3.05Å; W104-T108 PolarHBondContact O-N 3.03Å; W104-T108 PolarHBondContact O-OG1 3.03Å; W104-Y109 AromaticContact NE1-CE2 3.66Å; W104-R520 VanDerWaalsContact CE3-NE 3.31Å; W104-R520 VanDerWaalsContact CZ2-NH2 3.3Å; W104-R520 VanDerWaalsContact CZ3-CZ 3.41Å; W104-L523 HydrophobicContact CE3-CD2 3.82Å; W104-L523 HydrophobicContact CZ3-CD2 4.07Å
105M96.4Very high96.8Very high41 Ų4144.2 Ų44.220%0.20223%0.227CC..Iπ-helixtrans-56.7-46177-179.361167.400110.9S101 E102 Y109 L110 V192 A346S101-M105 VanDerWaalsContact O-CB 3.25Å; S101-M105 WeakPolarHBondContact O-CB 3.4Å; S101-M105 PolarHBondContact O-N 2.73Å; E102-M105 PolarHBondContact O-N 3.04Å; M105-Y109 PolarHBondContact O-N 2.83Å; M105-Y109 HydrophobicContact SD-CD2 4.03Å; M105-L110 HydrophobicContact CE-CD1 4.47Å; M105-L110 HydrophobicContact CE-CD2 4.17Å; M105-L110 HydrophobicContact CE-CG 4.44Å; M105-L110 HydrophobicContact CG-CD1 4.03Å; M105-L110 HydrophobicContact CG-CG 4.27Å; M105-L110 PolarHBondContact O-N 3.24Å; M105-V192 HydrophobicContact CE-CB 3.94Å; M105-V192 HydrophobicContact CE-CG2 3.56Å; M105-A346 HydrophobicContact CE-CB 3.55Å; M105-A346 HydrophobicContact SD-CB 3.92Å
106Q95.5Very high96.9Very high51 Ų5135.7 Ų35.724%0.23819%0.19CC..Iπ-helixtrans-68.5-57.6-178.4178.2171.5-15.100112.1E102 W103 W104 T108 L110 D111E102-Q106 VanDerWaalsContact O-CB 3.27Å; E102-Q106 WeakPolarHBondContact O-CB 3.4Å; E102-Q106 PolarHBondContact O-N 3.2Å; W103-Q106 PolarHBondContact O-N 3.03Å; W104-Q106 VanDerWaalsContact C-N 3.26Å; W104-Q106 PolarHBondContact O-N 2.65Å; Q106-T108 PolarHBondContact O-N 3.29Å; Q106-L110 PolarHBondContact O-N 2.8Å; Q106-D111 WeakPolarHBondContact CG-OD2 3.41Å; Q106-D111 PolarHBondContact NE2-OD2 3.1Å; Q106-D111 WeakPolarHBondContact O-CB 3.46Å; Q106-D111 PolarHBondContact O-N 3.18Å
107S93.7Very high96.8Very high45 Ų4534 Ų3432%0.31518%0.179SC..Iπ-helixtrans-65.7-40.7-172.164.80000112.5W103W103-S107 WeakPolarHBondContact O-CB 3.43Å; W103-S107 PolarHBondContact O-N 2.91Å; W103-S107 PolarHBondContact O-OG 3.41Å
108T94.1Very high96.8Very high42 Ų4230.9 Ų30.926%0.25816%0.162SC..Iπ-helixtrans-84.2-37.2-171.3-56.10000111.8W104 Q106 C112W104-T108 HydrophobicContact CH2-CG2 3.71Å; W104-T108 VanDerWaalsContact CH2-OG1 3.27Å; W104-T108 WeakPolarHBondContact CH2-OG1 3.49Å; W104-T108 HydrophobicContact CZ2-CG2 3.66Å; W104-T108 HydrophobicContact CZ3-CG2 4.27Å; W104-T108 WeakPolarHBondContact CZ3-OG1 3.29Å; W104-T108 WeakPolarHBondContact O-CB 3.05Å; W104-T108 PolarHBondContact O-N 3.03Å; W104-T108 PolarHBondContact O-OG1 3.03Å; Q106-T108 PolarHBondContact O-N 3.29Å; T108-C112 WeakPolarHBondContact O-CB 3.23Å
109Y96.8Very high96.7Very high11 Ų1133.3 Ų33.34%0.04317%0.171CC..Iπ-helixtrans-114.9-55.5-172.5-50.3-75.1000112.9W104 M105 C112 T120 R183 H345 A346 E349 R466W104-Y109 AromaticContact NE1-CE2 3.66Å; M105-Y109 PolarHBondContact O-N 2.83Å; M105-Y109 HydrophobicContact SD-CD2 4.03Å; Y109-C112 PolarHBondContact O-N 2.9Å; Y109-T120 HydrophobicContact CD1-CG2 3.96Å; Y109-R183 PolarHBondContact O-NH1 3.16Å; Y109-R183 PolarHBondContact O-NH2 3.05Å; Y109-H345 HydrophobicContact CD1-CB 4.31Å; Y109-H345 HydrophobicContact CE1-CB 3.95Å; Y109-H345 AromaticContact CE1-CG 3.89Å; Y109-H345 AromaticContact CE1-ND1 3.93Å; Y109-A346 HydrophobicContact CD1-CB 4.46Å; Y109-A346 HydrophobicContact CD2-CB 4.38Å; Y109-A346 HydrophobicContact CG-CB 3.94Å; Y109-E349 PolarHBondContact OH-OE1 3.45Å; Y109-R466 PolarHBondContact OH-NH2 2.93Å
110L97.7Very high96.5Very high22 Ų2234 Ų3412%0.11518%0.176CC..Iπ-helixtrans-75-34.2-167.5-57.3-175.9000113.6M105 Q106 R113 R189 D190 V192M105-L110 HydrophobicContact CE-CD1 4.47Å; M105-L110 HydrophobicContact CE-CD2 4.17Å; M105-L110 HydrophobicContact CE-CG 4.44Å; M105-L110 HydrophobicContact CG-CD1 4.03Å; M105-L110 HydrophobicContact CG-CG 4.27Å; M105-L110 PolarHBondContact O-N 3.24Å; Q106-L110 PolarHBondContact O-N 2.8Å; L110-R113 PolarHBondContact O-NH1 2.83Å; L110-R189 HydrophobicContact CB-CG 3.94Å; L110-D190 HydrophobicContact CD2-CB 4.35Å; L110-D190 PolarHBondContact O-N 3.06Å; L110-V192 HydrophobicContact CD2-CG2 4.01Å
111D97Very high96.5Very high62 Ų6233.7 Ų33.733%0.33217%0.174SC..SBendtrans-87.6-15.6175.3-71.5-16.6000112.2Q106 R113 R189Q106-D111 WeakPolarHBondContact CG-OD2 3.41Å; Q106-D111 PolarHBondContact NE2-OD2 3.1Å; Q106-D111 WeakPolarHBondContact O-CB 3.46Å; Q106-D111 PolarHBondContact O-N 3.18Å; D111-R113 WeakPolarHBondContact O-CD 3.21Å; D111-R113 VanDerWaalsContact O-CG 3.3Å; D111-R113 WeakPolarHBondContact O-CG 3.44Å; D111-R113 PolarHBondContact O-N 3Å; D111-R189 VanDerWaalsContact OD1-CB 3.27Å; D111-R189 WeakPolarHBondContact OD1-CB 3.22Å; D111-R189 WeakPolarHBondContact OD1-CD 3.47Å; D111-R189 WeakPolarHBondContact OD1-CG 3.23Å
112C96Very high96.6Very high38 Ų3831.6 Ų31.626%0.25716%0.16SC..  trans-64.8124.7171.2-178.20000110.2T108 Y109T108-C112 WeakPolarHBondContact O-CB 3.23Å; Y109-C112 PolarHBondContact O-N 2.9Å
113R97.4Very high96.7Very high34 Ų3426 Ų2613%0.12813%0.134CC..  trans-103.4-7.8-174-49.1-47.8-63156.2-5.5113.8L110 D111 G186 K188 D190 H257 R258 N259L110-R113 PolarHBondContact O-NH1 2.83Å; D111-R113 WeakPolarHBondContact O-CD 3.21Å; D111-R113 VanDerWaalsContact O-CG 3.3Å; D111-R113 WeakPolarHBondContact O-CG 3.44Å; D111-R113 PolarHBondContact O-N 3Å; R113-G186 PolarHBondContact NH2-O 3.36Å; R113-K188 PolarHBondContact NE-O 3.22Å; R113-D190 IonicContact CZ-OD1 3.88Å; R113-D190 IonicContact NH1-OD1 3.01Å; R113-D190 PolarHBondContact NH1-OD1 3.31Å; R113-D190 IonicContact NH1-OD2 3.62Å; R113-D190 IonicContact NH2-OD1 3.81Å; R113-D190 PolarHBondContact NH2-OD1 3.44Å; R113-H257 WeakPolarHBondContact CB-NE2 3.49Å; R113-H257 PolarHBondContact O-CD2 2.9Å; R113-H257 PolarHBondContact O-NE2 2.91Å; R113-H257 VanDerWaalsContact O-NE2 3.11Å; R113-R258 PolarHBondContact NH2-O 2.98Å; R113-R258 WeakPolarHBondContact O-CG 3.48Å; R113-R258 PolarHBondContact O-N 3.25Å; R113-N259 VanDerWaalsContact CZ-OD1 3.29Å; R113-N259 PolarHBondContact NE-OD1 3.02Å; R113-N259 PolarHBondContact NH2-OD1 3.04Å
114M97.5Very high96.7Very high82 Ų8225.6 Ų25.640%0.40413%0.132SC..SBendtrans-58.8146.9172-65.7-57.2-73.800110.6V116 Y119 R258M114-V116 PolarHBondContact O-N 3.14Å; M114-Y119 HydrophobicContact CB-CD2 4.33Å; M114-Y119 HydrophobicContact CB-CG 4.22Å; M114-Y119 HydrophobicContact CE-CD1 4.03Å; M114-Y119 HydrophobicContact CE-CD2 4.14Å; M114-Y119 HydrophobicContact CE-CE1 3.76Å; M114-Y119 HydrophobicContact CE-CE2 3.86Å; M114-Y119 HydrophobicContact CE-CG 4.22Å; M114-R258 VanDerWaalsContact O-CG 3.25Å; M114-R258 WeakPolarHBondContact O-CG 3.33Å
115P98.3Very high96.7Very high6 Ų624.5 Ų24.54%0.03913%0.129CC..  trans-48.2137.5172.1-25.833.8000111.5A117 Y119 S255 H257 M405P115-A117 VanDerWaalsContact C-N 3.33Å; P115-Y119 HydrophobicContact CB-CD2 4.1Å; P115-Y119 HydrophobicContact CB-CE2 4.4Å; P115-Y119 HydrophobicContact CG-CD2 4.24Å; P115-Y119 HydrophobicContact CG-CE2 4.16Å; P115-Y119 WeakPolarHBondContact O-CB 3.49Å; P115-Y119 WeakPolarHBondContact O-CD2 3.29Å; P115-S255 WeakPolarHBondContact CB-O 3.32Å; P115-H257 HydrophobicContact CG-CB 4.39Å; P115-M405 HydrophobicContact CB-CE 4.19Å; P115-M405 HydrophobicContact CB-SD 3.66Å; P115-M405 HydrophobicContact CG-CE 4.46Å; P115-M405 HydrophobicContact CG-SD 3.54Å; P115-M405 VanDerWaalsContact CG-SD 3.54Å
116V98.3Very high96.7Very high0 Ų023.2 Ų23.20%012%0.122CC..Hα-helixtrans-69.7-34.6177.5-66.10000111.5M114 V118 T120 S121 F325M114-V116 PolarHBondContact O-N 3.14Å; V116-V118 PolarHBondContact O-N 3.42Å; V116-T120 PolarHBondContact O-N 3.05Å; V116-T120 VanDerWaalsContact O-N 3.09Å; V116-S121 WeakPolarHBondContact O-CB 3.42Å; V116-S121 PolarHBondContact O-N 2.98Å; V116-F325 HydrophobicContact CG2-CB 3.75Å
117A96.2Very high96.6Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-60.6135.617200000109.5P115 Y119 F325 M402P115-A117 VanDerWaalsContact C-N 3.33Å; A117-Y119 PolarHBondContact O-N 3.49Å; A117-F325 HydrophobicContact CB-CD1 3.96Å; A117-F325 HydrophobicContact CB-CD2 4.42Å; A117-F325 HydrophobicContact CB-CE1 3.92Å; A117-F325 HydrophobicContact CB-CE2 4.38Å; A117-F325 HydrophobicContact CB-CG 4.22Å; A117-F325 HydrophobicContact CB-CZ 4.13Å; A117-M402 HydrophobicContact CB-CE 4.23Å
118V94.8Very high96.6Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans70.3-56.3-174.1-177.60000114.4V116 H312 L409 G569 F594V116-V118 PolarHBondContact O-N 3.42Å; V118-H312 HydrophobicContact CG2-CB 3.98Å; V118-L409 HydrophobicContact CG1-CD1 3.78Å; V118-L409 HydrophobicContact CG1-CD2 3.84Å; V118-L409 HydrophobicContact CG1-CG 4.28Å; V118-L409 HydrophobicContact CG2-CD2 4.05Å; V118-G569 WeakPolarHBondContact O-CA 3.23Å; V118-G569 PolarHBondContact O-N 3.13Å; V118-F594 HydrophobicContact CG1-CE1 4.29Å
119Y96.1Very high96.5Very high59 Ų5927.5 Ų27.523%0.23114%0.135CC..Hα-helixtrans-86.7-15.8-167.3-55.3-82.8000115.4M114 P115 A117 M405 F594M114-Y119 HydrophobicContact CB-CD2 4.33Å; M114-Y119 HydrophobicContact CB-CG 4.22Å; M114-Y119 HydrophobicContact CE-CD1 4.03Å; M114-Y119 HydrophobicContact CE-CD2 4.14Å; M114-Y119 HydrophobicContact CE-CE1 3.76Å; M114-Y119 HydrophobicContact CE-CE2 3.86Å; M114-Y119 HydrophobicContact CE-CG 4.22Å; P115-Y119 HydrophobicContact CB-CD2 4.1Å; P115-Y119 HydrophobicContact CB-CE2 4.4Å; P115-Y119 HydrophobicContact CG-CD2 4.24Å; P115-Y119 HydrophobicContact CG-CE2 4.16Å; P115-Y119 WeakPolarHBondContact O-CB 3.49Å; P115-Y119 WeakPolarHBondContact O-CD2 3.29Å; A117-Y119 PolarHBondContact O-N 3.49Å; Y119-M405 HydrophobicContact CD2-SD 4.35Å; Y119-M405 HydrophobicContact CE2-CG 4.17Å; Y119-M405 HydrophobicContact CE2-SD 3.63Å; Y119-F594 AromaticContact CD1-CZ 3.94Å; Y119-F594 HydrophobicContact CD1-CZ 3.94Å; Y119-F594 AromaticContact CE1-CE1 3.91Å; Y119-F594 HydrophobicContact CE1-CE1 3.91Å; Y119-F594 HydrophobicContact CE1-CE2 4.32Å; Y119-F594 AromaticContact CE1-CZ 3.43Å; Y119-F594 HydrophobicContact CE1-CZ 3.43Å; Y119-F594 VanDerWaalsContact CE1-CZ 3.43Å
120T95.4Very high96.1Very high18 Ų1835 Ų3511%0.1117%0.17CC..THydrogen-bonded Turntrans-139.1-49.7-176.9-53.20000112.7Y109 V116 H345Y109-T120 HydrophobicContact CD1-CG2 3.96Å; V116-T120 PolarHBondContact O-N 3.05Å; V116-T120 VanDerWaalsContact O-N 3.09Å; T120-H345 HydrophobicContact CG2-CB 4.03Å; T120-H345 VanDerWaalsContact O-CB 3.29Å; T120-H345 WeakPolarHBondContact O-CB 3.39Å; T120-H345 PolarHBondContact O-CD2 2.84Å
121S98Very high95.8Very high1 Ų136 Ų361%0.00717%0.174CC..SBendtrans-66.9140.5174.7-68.70000110.3V116 L311 Y343V116-S121 WeakPolarHBondContact O-CB 3.42Å; V116-S121 PolarHBondContact O-N 2.98Å; S121-L311 VanDerWaalsContact O-CD1 3.25Å; S121-L311 WeakPolarHBondContact O-CD1 3.49Å; S121-Y343 VanDerWaalsContact CA-O 3.24Å; S121-Y343 WeakPolarHBondContact CA-O 3.43Å; S121-Y343 VanDerWaalsContact CB-O 3.32Å; S121-Y343 WeakPolarHBondContact CB-O 3.42Å
122T98.1Very high95.2Very high1 Ų142.7 Ų42.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-112.6130.1-173.1-61.50000109.5V342 Y343 H345 M566 C567 F568T122-V342 WeakPolarHBondContact O-CA 3.34Å; T122-Y343 HydrophobicContact CG2-CE1 3.65Å; T122-Y343 PolarHBondContact N-O 2.99Å; T122-Y343 VanDerWaalsContact N-O 3.11Å; T122-Y343 WeakPolarHBondContact O-CD1 3.49Å; T122-Y343 PolarHBondContact O-N 2.71Å; T122-H345 PolarHBondContact OG1-CD2 2.86Å; T122-M566 HydrophobicContact CG2-CE 4.46Å; T122-M566 HydrophobicContact CG2-CG 3.13Å; T122-M566 HydrophobicContact CG2-SD 3.38Å; T122-M566 WeakPolarHBondContact CG2-SD 3.32Å; T122-C567 WeakPolarHBondContact CG2-O 3.45Å; T122-F568 HydrophobicContact CG2-CB 4.42Å; T122-F568 HydrophobicContact CG2-CD1 4.07Å
123G98.3Very high94.8Very high0 Ų045 Ų450%021%0.213CC..EExtended strand (participates in β ladder)trans-87.9150176.700000111.6L341 M566 C567G123-L341 CarbonylContact C-O 3.54Å; G123-M566 CarbonylContact O-C 3.59Å; G123-M566 VanDerWaalsContact O-CA 3.27Å; G123-M566 WeakPolarHBondContact O-CA 3.43Å; G123-M566 WeakPolarHBondContact O-CG 3.45Å; G123-C567 PolarHBondContact N-O 3.45Å; G123-C567 PolarHBondContact O-N 3.43Å
124V98.4Very high94.5Very high0 Ų048.5 Ų48.50%023%0.226CC..EExtended strand (participates in β ladder)trans-132.3119.1171.3-173.70000109M310 G340 L341 I357 C564 V565 M566V124-M310 WeakPolarHBondContact O-CG 3.41Å; V124-G340 CarbonylContact O-C 3.55Å; V124-G340 WeakPolarHBondContact O-CA 3.22Å; V124-L341 HydrophobicContact CB-CD1 4Å; V124-L341 HydrophobicContact CB-CG 4.07Å; V124-L341 HydrophobicContact CG2-CD1 3.68Å; V124-L341 HydrophobicContact CG2-CG 4.26Å; V124-L341 PolarHBondContact N-O 3.34Å; V124-L341 PolarHBondContact O-N 3.11Å; V124-I357 HydrophobicContact CB-CD1 4.24Å; V124-I357 HydrophobicContact CG1-CD1 3.72Å; V124-I357 HydrophobicContact CG2-CD1 4.31Å; V124-C564 HydrophobicContact CG1-CB 4.2Å; V124-V565 CarbonylContact C-O 3.58Å; V124-V565 WeakPolarHBondContact CA-O 3.33Å; V124-M566 HydrophobicContact CG2-CB 4.21Å; V124-M566 HydrophobicContact CG2-CE 3.5Å; V124-M566 HydrophobicContact CG2-CG 4.02Å
125A97.6Very high94.3Very high2 Ų249.9 Ų49.92%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-90.3124.4172.600000109.9V306 C564 V565A125-V306 HydrophobicContact CB-CB 4.46Å; A125-V306 HydrophobicContact CB-CG1 3.67Å; A125-C564 WeakPolarHBondContact O-CA 3.39Å; A125-C564 VanDerWaalsContact O-CB 3.26Å; A125-C564 WeakPolarHBondContact O-CB 3.5Å; A125-V565 HydrophobicContact CB-CG1 3.92Å; A125-V565 PolarHBondContact N-O 2.96Å; A125-V565 PolarHBondContact O-N 3.18Å
126L96.2Very high94.1Very high13 Ų1350.6 Ų50.67%0.06824%0.24CC..PPolyproline II helixtrans-96.1165.1174.2-65.1174.4000110.4C339 I357 T562 C564L126-C339 HydrophobicContact CB-CB 4.44Å; L126-C339 WeakPolarHBondContact CB-O 3.48Å; L126-C339 PolarHBondContact N-O 3.45Å; L126-I357 HydrophobicContact CD2-CD1 4.5Å; L126-I357 HydrophobicContact CD2-CG2 3.55Å; L126-T562 HydrophobicContact CD2-CG2 4Å; L126-C564 HydrophobicContact CD2-CB 3.79Å
127P92.5Very high94Very high54 Ų5450.7 Ų50.735%0.35124%0.241SC..PPolyproline II helixtrans-51.4145.9170.9-27.635.2000112M129 D563P127-M129 PolarHBondContact O-N 3.47Å; P127-D563 VanDerWaalsContact CD-O 3.24Å; P127-D563 WeakPolarHBondContact CD-O 3.42Å; P127-D563 HydrophobicContact CG-CB 4.28Å; P127-D563 WeakPolarHBondContact CG-O 3.49Å
128R93Very high94Very high109 Ų10950.7 Ų50.741%0.41124%0.241SC..PPolyproline II helixtrans-59.5129.3174.2-174.5171.2-170.2-1790.8109.7Y302 D336R128-Y302 HydrophobicContact CB-CE1 3.86Å; R128-Y302 HydrophobicContact CG-CE1 4.3Å; R128-Y302 WeakPolarHBondContact CG-OH 3.46Å; R128-D336 PolarHBondContact NE-O 3.19Å; R128-D336 PolarHBondContact NH2-O 3.49Å; R128-D336 VanDerWaalsContact NH2-O 3.14Å
129M92.9Very high94Very high65 Ų6554.4 Ų54.432%0.3226%0.255SS..PPolyproline II helixtrans-86.9147172.3-58.7-54.8-51.900110.1P127 F131 F140 G337 C339P127-M129 PolarHBondContact O-N 3.47Å; M129-F131 HydrophobicContact CB-CD1 4.16Å; M129-F131 HydrophobicContact CB-CE1 4.19Å; M129-F140 HydrophobicContact CE-CD2 3.74Å; M129-F140 HydrophobicContact CE-CE2 3.4Å; M129-F140 VanDerWaalsContact CE-CE2 3.4Å; M129-F140 HydrophobicContact CE-CZ 4.3Å; M129-F140 HydrophobicContact CG-CD2 4.28Å; M129-F140 HydrophobicContact CG-CE1 4.22Å; M129-F140 HydrophobicContact CG-CE2 3.75Å; M129-F140 HydrophobicContact CG-CZ 3.71Å; M129-F140 HydrophobicContact SD-CD2 4.45Å; M129-F140 HydrophobicContact SD-CE2 3.65Å; M129-F140 HydrophobicContact SD-CZ 3.97Å; M129-G337 WeakPolarHBondContact CB-O 3.46Å; M129-G337 PolarHBondContact N-O 2.87Å; M129-G337 WeakPolarHBondContact O-CA 3.25Å; M129-C339 HydrophobicContact CG-CB 4.04Å
130H89.6Confident94Very high168 Ų16852.6 Ų52.678%0.77825%0.248SC*.  trans-113.8106.5174.4-62.2-68.7000108.8
131F91.1Very high94.2Very high44 Ų4451.7 Ų51.719%0.19324%0.243CC..  trans-127.9145.3167.947.2-103.7000108.8M129 D133 Q137 G334 E335M129-F131 HydrophobicContact CB-CD1 4.16Å; M129-F131 HydrophobicContact CB-CE1 4.19Å; F131-D133 WeakPolarHBondContact CD2-O 3.4Å; F131-Q137 HydrophobicContact CD2-CB 4Å; F131-Q137 HydrophobicContact CE1-CB 4.31Å; F131-Q137 HydrophobicContact CE1-CG 4.28Å; F131-Q137 HydrophobicContact CE2-CB 3.65Å; F131-Q137 HydrophobicContact CE2-CG 4.05Å; F131-Q137 HydrophobicContact CG-CB 4.47Å; F131-Q137 HydrophobicContact CZ-CB 3.82Å; F131-Q137 HydrophobicContact CZ-CG 3.75Å; F131-G334 VanDerWaalsContact CZ-O 3.29Å; F131-G334 WeakPolarHBondContact CZ-O 3.26Å; F131-E335 WeakPolarHBondContact CE2-O 3.46Å
132E82.7Confident94.2Very high202 Ų20251.7 Ų51.794%0.94424%0.242SC*.SBendtrans-82.7-24-170.6-62.1-178.4170.700112.7
133D89.4Confident94.1Very high86 Ų8654.2 Ų54.246%0.4625%0.253SS..SBendtrans-154.9-178.7-174.168.48.8000113F131 Q135 G136 Q137F131-D133 WeakPolarHBondContact CD2-O 3.4Å; D133-Q135 VanDerWaalsContact C-N 3.26Å; D133-Q135 PolarHBondContact O-N 3.39Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.37Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.48Å; D133-Q135 PolarHBondContact OD1-N 3.18Å; D133-G136 PolarHBondContact O-N 3.04Å; D133-G136 PolarHBondContact OD1-N 3.31Å; D133-Q137 PolarHBondContact O-N 2.92Å; D133-Q137 VanDerWaalsContact O-N 3.13Å
134R90.8Very high94.1Very high108 Ų10854.3 Ų54.341%0.40825%0.254SS..Hα-helixtrans-57.1-38.3174.8-177-167.665.5178.3-1.3112.2G136 Q137 M138 W239 N240R134-G136 VanDerWaalsContact C-N 3.3Å; R134-G136 PolarHBondContact O-N 3.45Å; R134-Q137 WeakPolarHBondContact O-CB 3.49Å; R134-Q137 PolarHBondContact O-N 2.86Å; R134-M138 HydrophobicContact CG-CG 4.46Å; R134-M138 WeakPolarHBondContact O-CG 3.39Å; R134-M138 PolarHBondContact O-N 3.31Å; R134-W239 HydrophobicContact CG-CD2 4.39Å; R134-W239 HydrophobicContact CG-CZ2 4.43Å; R134-N240 PolarHBondContact NH1-OD1 3.24Å
135Q92.6Very high94.1Very high111 Ų11154.3 Ų54.352%0.51925%0.254SS..Hα-helixtrans-64.6-40.5-179.2-174176.856.900110.4D133 M138 R139D133-Q135 VanDerWaalsContact C-N 3.26Å; D133-Q135 PolarHBondContact O-N 3.39Å; D133-Q135 WeakPolarHBondContact OD1-CA 3.37Å; D133-Q135 WeakPolarHBondContact OD1-CB 3.48Å; D133-Q135 PolarHBondContact OD1-N 3.18Å; Q135-M138 PolarHBondContact O-N 3.26Å; Q135-R139 WeakPolarHBondContact O-CB 3.1Å; Q135-R139 PolarHBondContact O-N 2.78Å
136G93.9Very high94.1Very high22 Ų2254.7 Ų54.723%0.22726%0.257CS..Hα-helixtrans-60.7-42.5172.400000112.9D133 R134 R139 F140D133-G136 PolarHBondContact O-N 3.04Å; D133-G136 PolarHBondContact OD1-N 3.31Å; R134-G136 VanDerWaalsContact C-N 3.3Å; R134-G136 PolarHBondContact O-N 3.45Å; G136-R139 PolarHBondContact O-N 2.94Å; G136-F140 WeakPolarHBondContact O-CB 3.36Å; G136-F140 PolarHBondContact O-N 3.35Å
137Q95.6Very high94.2Very high2 Ų254 Ų541%0.00925%0.254CS..Hα-helixtrans-59.9-47.8173.6-169.6-167.314.900111.7F131 D133 R134 F140 A141 I333F131-Q137 HydrophobicContact CD2-CB 4Å; F131-Q137 HydrophobicContact CE1-CB 4.31Å; F131-Q137 HydrophobicContact CE1-CG 4.28Å; F131-Q137 HydrophobicContact CE2-CB 3.65Å; F131-Q137 HydrophobicContact CE2-CG 4.05Å; F131-Q137 HydrophobicContact CG-CB 4.47Å; F131-Q137 HydrophobicContact CZ-CB 3.82Å; F131-Q137 HydrophobicContact CZ-CG 3.75Å; D133-Q137 PolarHBondContact O-N 2.92Å; D133-Q137 VanDerWaalsContact O-N 3.13Å; R134-Q137 WeakPolarHBondContact O-CB 3.49Å; R134-Q137 PolarHBondContact O-N 2.86Å; Q137-F140 PolarHBondContact O-N 2.78Å; Q137-A141 PolarHBondContact O-N 3.31Å; Q137-I333 HydrophobicContact CG-CG2 3.77Å; Q137-I333 PolarHBondContact NE2-O 3.31Å; Q137-I333 VanDerWaalsContact NE2-O 3.13Å
138M96.9Very high94.5Very high0 Ų051.5 Ų51.50%024%0.237CC..Hα-helixtrans-65.1-40.7179.8-64.2-55.297.500111.4R134 Q135 F140 A141 A142 T232 L235 E236 W239 L290R134-M138 HydrophobicContact CG-CG 4.46Å; R134-M138 WeakPolarHBondContact O-CG 3.39Å; R134-M138 PolarHBondContact O-N 3.31Å; Q135-M138 PolarHBondContact O-N 3.26Å; M138-F140 VanDerWaalsContact C-N 3.34Å; M138-F140 PolarHBondContact O-N 3Å; M138-A141 PolarHBondContact O-N 3.11Å; M138-A142 WeakPolarHBondContact O-CB 3.43Å; M138-A142 PolarHBondContact O-N 3.29Å; M138-T232 HydrophobicContact CB-CG2 4.07Å; M138-L235 HydrophobicContact CB-CB 4.38Å; M138-L235 HydrophobicContact CG-CB 4.42Å; M138-L235 WeakPolarHBondContact O-CD1 3.38Å; M138-L235 HydrophobicContact SD-CB 3.72Å; M138-E236 HydrophobicContact CG-CG 4.17Å; M138-W239 HydrophobicContact CE-CE3 3.85Å; M138-W239 HydrophobicContact CE-CZ3 4.12Å; M138-W239 HydrophobicContact SD-CE3 4.37Å; M138-L290 HydrophobicContact CE-CD1 4.01Å; M138-L290 HydrophobicContact CE-CD2 4.06Å; M138-L290 HydrophobicContact SD-CD1 4.1Å
139R95.5Very high94.7Very high78 Ų7846.6 Ų46.629%0.29422%0.219SC..Hα-helixtrans-63.9-40.7176-163.8-177.8-160.688.28.6111.3Q135 G136 A142 K143 V228 D229 E368Q135-R139 WeakPolarHBondContact O-CB 3.1Å; Q135-R139 PolarHBondContact O-N 2.78Å; G136-R139 PolarHBondContact O-N 2.94Å; R139-A142 PolarHBondContact O-N 3.43Å; R139-K143 WeakPolarHBondContact O-CG 3.38Å; R139-K143 PolarHBondContact O-N 3.25Å; R139-V228 HydrophobicContact CG-CG1 4.21Å; R139-D229 IonicContact CZ-OD1 2.63Å; R139-D229 IonicContact NH1-OD1 3.29Å; R139-D229 IonicContact NH2-OD1 3.65Å; R139-D229 PolarHBondContact NH2-OD1 2.8Å; R139-E368 IonicContact CZ-OE1 3.56Å; R139-E368 IonicContact CZ-OE2 3.63Å; R139-E368 IonicContact NE-OE1 3.02Å; R139-E368 PolarHBondContact NE-OE1 3.35Å; R139-E368 IonicContact NE-OE2 3.87Å; R139-E368 VanDerWaalsContact NH2-CD 3.35Å; R139-E368 IonicContact NH2-OE1 3.04Å; R139-E368 PolarHBondContact NH2-OE1 2.97Å; R139-E368 IonicContact NH2-OE2 3.02Å; R139-E368 PolarHBondContact NH2-OE2 2.67Å
140F96.4Very high94.9Very high20 Ų2044.7 Ų44.79%0.08821%0.21CC..Hα-helixtrans-62.1-48.7174.7176.4-94.9000111.5M129 G136 Q137 M138 A142 K143 L144 I333 C339 M364M129-F140 HydrophobicContact CE-CD2 3.74Å; M129-F140 HydrophobicContact CE-CE2 3.4Å; M129-F140 VanDerWaalsContact CE-CE2 3.4Å; M129-F140 HydrophobicContact CE-CZ 4.3Å; M129-F140 HydrophobicContact CG-CD2 4.28Å; M129-F140 HydrophobicContact CG-CE1 4.22Å; M129-F140 HydrophobicContact CG-CE2 3.75Å; M129-F140 HydrophobicContact CG-CZ 3.71Å; M129-F140 HydrophobicContact SD-CD2 4.45Å; M129-F140 HydrophobicContact SD-CE2 3.65Å; M129-F140 HydrophobicContact SD-CZ 3.97Å; G136-F140 WeakPolarHBondContact O-CB 3.36Å; G136-F140 PolarHBondContact O-N 3.35Å; Q137-F140 PolarHBondContact O-N 2.78Å; M138-F140 VanDerWaalsContact C-N 3.34Å; M138-F140 PolarHBondContact O-N 3Å; F140-A142 VanDerWaalsContact C-N 3.3Å; F140-A142 PolarHBondContact O-N 2.75Å; F140-K143 PolarHBondContact O-N 3.25Å; F140-L144 HydrophobicContact CE1-CD1 4.25Å; F140-L144 PolarHBondContact O-N 3.05Å; F140-I333 HydrophobicContact CD1-CG1 4.05Å; F140-I333 HydrophobicContact CD1-CG2 3.81Å; F140-I333 HydrophobicContact CE1-CG1 3.92Å; F140-I333 HydrophobicContact CE1-CG2 4.24Å; F140-C339 HydrophobicContact CE1-CB 4.35Å; F140-C339 WeakPolarHBondContact CE1-SG 3.31Å; F140-C339 HydrophobicContact CZ-CB 4.48Å; F140-M364 HydrophobicContact CD2-SD 4.26Å; F140-M364 HydrophobicContact CE2-CE 3.83Å; F140-M364 HydrophobicContact CE2-SD 3.69Å; F140-M364 HydrophobicContact CZ-CE 3.99Å; F140-M364 HydrophobicContact CZ-SD 4.04Å
141A98.1Very high95.2Very high0 Ų036.7 Ų36.70%017%0.173CC..Hα-helixtrans-59.8-40176.100000112.1Q137 M138 L144 I145 L235 L290 I333Q137-A141 PolarHBondContact O-N 3.31Å; M138-A141 PolarHBondContact O-N 3.11Å; A141-L144 PolarHBondContact O-N 3.32Å; A141-I145 VanDerWaalsContact O-CG1 3.27Å; A141-I145 WeakPolarHBondContact O-CG1 3.02Å; A141-I145 PolarHBondContact O-N 3.23Å; A141-L235 HydrophobicContact CB-CD1 3.81Å; A141-L290 HydrophobicContact CB-CD2 4.23Å; A141-I333 HydrophobicContact CB-CD1 4.15Å; A141-I333 HydrophobicContact CB-CG1 4.4Å
142A97.8Very high95.4Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-62.6-44.1174.600000112.7M138 R139 F140 L144 I145 A146 V228 L231 T232 L235M138-A142 WeakPolarHBondContact O-CB 3.43Å; M138-A142 PolarHBondContact O-N 3.29Å; R139-A142 PolarHBondContact O-N 3.43Å; F140-A142 VanDerWaalsContact C-N 3.3Å; F140-A142 PolarHBondContact O-N 2.75Å; A142-L144 VanDerWaalsContact C-N 3.34Å; A142-I145 PolarHBondContact O-N 2.89Å; A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 2.9Å; A142-V228 HydrophobicContact CB-CG1 4.02Å; A142-L231 HydrophobicContact CB-CB 3.65Å; A142-T232 WeakPolarHBondContact CB-OG1 3.36Å; A142-L235 HydrophobicContact CB-CD1 4.11Å
143K96.7Very high96Very high54 Ų5431 Ų3124%0.23514%0.142CC..Hα-helixtrans-62.4-41174.8-75.8-174.8175.4-1700112.2R139 F140 A146 G147 V228 M364 E368R139-K143 WeakPolarHBondContact O-CG 3.38Å; R139-K143 PolarHBondContact O-N 3.25Å; F140-K143 PolarHBondContact O-N 3.25Å; K143-A146 PolarHBondContact O-N 2.72Å; K143-G147 PolarHBondContact O-N 2.87Å; K143-V228 HydrophobicContact CG-CG1 3.85Å; K143-V228 HydrophobicContact CG-CG2 4.14Å; K143-M364 HydrophobicContact CB-CG 4Å; K143-M364 HydrophobicContact CB-SD 4.32Å; K143-E368 WeakPolarHBondContact CE-OE1 3.49Å; K143-E368 IonicContact NZ-OE1 3.36Å; K143-E368 PolarHBondContact NZ-OE1 3.07Å
144L98.3Very high96.2Very high3 Ų327.8 Ų27.82%0.01612%0.124CC..Hα-helixtrans-61.1-49.8175.3-176154.3000110.4F140 A141 A142 A146 G147 V148 F331 I333 V360 M364F140-L144 HydrophobicContact CE1-CD1 4.25Å; F140-L144 PolarHBondContact O-N 3.05Å; A141-L144 PolarHBondContact O-N 3.32Å; A142-L144 VanDerWaalsContact C-N 3.34Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.47Å; L144-G147 PolarHBondContact O-N 2.71Å; L144-G147 VanDerWaalsContact O-N 3.17Å; L144-V148 HydrophobicContact CD2-CG2 4.08Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.34Å; L144-F331 HydrophobicContact CD1-CB 4.27Å; L144-F331 HydrophobicContact CD1-CD1 3.93Å; L144-F331 HydrophobicContact CD1-CG 4.3Å; L144-F331 HydrophobicContact CD2-CB 3.83Å; L144-F331 HydrophobicContact CD2-CD1 3.85Å; L144-F331 HydrophobicContact CD2-CD2 3.95Å; L144-F331 HydrophobicContact CD2-CE1 4.36Å; L144-F331 HydrophobicContact CD2-CE2 4.46Å; L144-F331 HydrophobicContact CD2-CG 3.6Å; L144-F331 HydrophobicContact CG-CD1 4.32Å; L144-I333 HydrophobicContact CD1-CD1 4.46Å; L144-V360 HydrophobicContact CG-CG1 4.19Å; L144-M364 HydrophobicContact CB-SD 3.89Å
145I98.6Very high96.3Very high0 Ų023.1 Ų23.10%011%0.108CC..Hα-helixtrans-56.3-50177.6-69164.3000110.1A141 A142 G147 V148 L149 L216 V218 L231 L235 F286 V288A141-I145 VanDerWaalsContact O-CG1 3.27Å; A141-I145 WeakPolarHBondContact O-CG1 3.02Å; A141-I145 PolarHBondContact O-N 3.23Å; A142-I145 PolarHBondContact O-N 2.89Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 2.93Å; I145-V148 PolarHBondContact O-N 2.92Å; I145-L149 HydrophobicContact CG2-CD1 3.85Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.49Å; I145-L149 PolarHBondContact O-N 3.22Å; I145-L216 HydrophobicContact CD1-CD2 4.4Å; I145-V218 HydrophobicContact CG2-CG1 4.09Å; I145-L231 HydrophobicContact CB-CD1 4.14Å; I145-L231 HydrophobicContact CG2-CD1 3.81Å; I145-L231 HydrophobicContact CG2-CD2 3.96Å; I145-L235 HydrophobicContact CD1-CD1 4.2Å; I145-L235 HydrophobicContact CD1-CD2 4.32Å; I145-F286 HydrophobicContact CB-CZ 4.3Å; I145-F286 HydrophobicContact CG1-CE2 4.16Å; I145-F286 HydrophobicContact CG1-CZ 4.11Å; I145-F286 HydrophobicContact CG2-CZ 4.16Å; I145-V288 HydrophobicContact CD1-CG2 4.04Å; I145-V288 HydrophobicContact CG1-CG2 3.83Å
146A97.7Very high96.2Very high9 Ų921.7 Ų21.77%0.07410%0.103CC..Hα-helixtrans-58.4-41.4178.400000112.6A142 K143 L144 L149 D150 V228 L231 Y363A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 2.9Å; K143-A146 PolarHBondContact O-N 2.72Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 3.47Å; A146-L149 PolarHBondContact O-N 3.04Å; A146-D150 PolarHBondContact O-N 2.69Å; A146-V228 HydrophobicContact CB-CG2 4.11Å; A146-L231 HydrophobicContact CB-CD1 4.24Å; A146-Y363 HydrophobicContact CB-CE1 4.06Å
147G97.8Very high96Very high0 Ų024.2 Ų24.20%012%0.115CC..Hα-helixtrans-64.8-39.4176.900000113.4K143 L144 I145 L149 D150 F151K143-G147 PolarHBondContact O-N 2.87Å; L144-G147 PolarHBondContact O-N 2.71Å; L144-G147 VanDerWaalsContact O-N 3.17Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 2.93Å; G147-L149 VanDerWaalsContact C-N 3.33Å; G147-D150 PolarHBondContact O-N 3.21Å; G147-F151 PolarHBondContact O-N 2.81Å
148V98.5Very high95.7Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-67.7-35.2175.1179.90000110.9L144 I145 F151 K152 L179 F286 F331 V360L144-V148 HydrophobicContact CD2-CG2 4.08Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.34Å; I145-V148 PolarHBondContact O-N 2.92Å; V148-F151 WeakPolarHBondContact O-CB 3.46Å; V148-F151 PolarHBondContact O-N 3.4Å; V148-K152 WeakPolarHBondContact O-CB 3.38Å; V148-K152 PolarHBondContact O-N 3.03Å; V148-L179 HydrophobicContact CG1-CD2 3.96Å; V148-F286 HydrophobicContact CB-CD1 4.42Å; V148-F286 HydrophobicContact CB-CE1 3.73Å; V148-F286 HydrophobicContact CB-CZ 3.84Å; V148-F286 HydrophobicContact CG1-CD1 3.56Å; V148-F286 HydrophobicContact CG1-CE1 3.3Å; V148-F286 HydrophobicContact CG1-CG 4.36Å; V148-F286 HydrophobicContact CG1-CZ 3.89Å; V148-F286 HydrophobicContact CG2-CZ 4.3Å; V148-F331 HydrophobicContact CG1-CE2 4.35Å; V148-F331 HydrophobicContact CG2-CD2 4.41Å; V148-F331 HydrophobicContact CG2-CE1 4.4Å; V148-F331 HydrophobicContact CG2-CE2 3.62Å; V148-F331 HydrophobicContact CG2-CZ 3.61Å; V148-V360 HydrophobicContact CG2-CG1 4.36Å; V148-V360 HydrophobicContact CG2-CG2 3.75Å
149L97.4Very high95.4Very high6 Ų631.2 Ų31.23%0.03115%0.152CC..Hα-helixtrans-70.9-35.4176.2-63.6170.5000112.7I145 A146 G147 F151 K152 R153 V218 Y219 I285I145-L149 HydrophobicContact CG2-CD1 3.85Å; I145-L149 HydrophobicContact CG2-CG 4.38Å; I145-L149 VanDerWaalsContact O-CG 3.29Å; I145-L149 WeakPolarHBondContact O-CG 3.49Å; I145-L149 PolarHBondContact O-N 3.22Å; A146-L149 PolarHBondContact O-N 3.04Å; G147-L149 VanDerWaalsContact C-N 3.33Å; L149-F151 VanDerWaalsContact C-N 3.32Å; L149-K152 HydrophobicContact CD2-CD 4.45Å; L149-K152 WeakPolarHBondContact O-CB 3.12Å; L149-K152 PolarHBondContact O-N 3.27Å; L149-R153 PolarHBondContact O-N 3.49Å; L149-V218 HydrophobicContact CD1-CB 3.65Å; L149-V218 HydrophobicContact CD1-CG1 4.31Å; L149-V218 HydrophobicContact CD1-CG2 3.86Å; L149-V218 HydrophobicContact CD2-CB 4.42Å; L149-V218 HydrophobicContact CD2-CG2 3.7Å; L149-V218 HydrophobicContact CG-CG2 4.43Å; L149-Y219 HydrophobicContact CD2-CE2 4.31Å; L149-I285 HydrophobicContact CD2-CD1 3.91Å
150D96.6Very high95.2Very high25 Ų2527.5 Ų27.513%0.13414%0.138CC..Hα-helixtrans-66.4-36.4171.4-175.951.9000111.4A146 G147 R153 M154 Y359 Y363 R366A146-D150 PolarHBondContact O-N 2.69Å; G147-D150 PolarHBondContact O-N 3.21Å; D150-R153 WeakPolarHBondContact O-CB 3.44Å; D150-R153 PolarHBondContact O-N 3.03Å; D150-R153 IonicContact OD1-CZ 2.96Å; D150-R153 IonicContact OD1-NE 2.78Å; D150-R153 PolarHBondContact OD1-NE 3.2Å; D150-R153 IonicContact OD1-NH2 3.93Å; D150-R153 PolarHBondContact OD1-NH2 3.21Å; D150-M154 PolarHBondContact O-N 3.45Å; D150-Y359 HydrophobicContact CB-CE1 4.45Å; D150-Y359 WeakPolarHBondContact OD2-CE1 3.37Å; D150-Y359 PolarHBondContact OD2-OH 3.13Å; D150-Y363 HydrophobicContact CB-CD2 4.02Å; D150-Y363 HydrophobicContact CB-CE2 3.66Å; D150-Y363 WeakPolarHBondContact OD2-CD2 3.37Å; D150-R366 IonicContact OD2-NH1 3.72Å
151F97.3Very high95Very high0 Ų027.9 Ų27.90%014%0.142CC..Hα-helixtrans-63-48.3169.3-172.5-86.1000112G147 V148 L149 R153 M154 V155 L160 Y175 I178 L179 F355 L356 Y359G147-F151 PolarHBondContact O-N 2.81Å; V148-F151 WeakPolarHBondContact O-CB 3.46Å; V148-F151 PolarHBondContact O-N 3.4Å; L149-F151 VanDerWaalsContact C-N 3.32Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 3.39Å; F151-M154 HydrophobicContact CD2-CE 3.89Å; F151-M154 HydrophobicContact CE2-CE 4.48Å; F151-M154 HydrophobicContact CG-CE 4.39Å; F151-M154 WeakPolarHBondContact O-CB 3.43Å; F151-M154 PolarHBondContact O-N 2.95Å; F151-V155 HydrophobicContact CD1-CG2 3.86Å; F151-V155 HydrophobicContact CE1-CG2 3.58Å; F151-V155 HydrophobicContact CZ-CG2 4.48Å; F151-V155 PolarHBondContact O-N 3.29Å; F151-L160 HydrophobicContact CD2-CD1 4.46Å; F151-L160 HydrophobicContact CE2-CD1 3.84Å; F151-L160 HydrophobicContact CZ-CD1 3.85Å; F151-L160 HydrophobicContact CZ-CD2 4.22Å; F151-Y175 AromaticContact CZ-CD1 3.9Å; F151-Y175 HydrophobicContact CZ-CD1 3.9Å; F151-Y175 HydrophobicContact CZ-CE1 4.34Å; F151-I178 HydrophobicContact CE1-CD1 4.48Å; F151-L179 HydrophobicContact CD1-CD1 4.37Å; F151-F355 AromaticContact CE2-CD1 3.59Å; F151-F355 HydrophobicContact CE2-CD1 3.59Å; F151-F355 AromaticContact CE2-CE1 3.55Å; F151-F355 HydrophobicContact CE2-CE1 3.55Å; F151-F355 AromaticContact CZ-CD1 3.96Å; F151-F355 HydrophobicContact CZ-CD1 3.96Å; F151-F355 HydrophobicContact CZ-CE1 4.08Å; F151-L356 HydrophobicContact CB-CD1 3.85Å; F151-L356 HydrophobicContact CD1-CD1 3.61Å; F151-L356 HydrophobicContact CD2-CD1 3.8Å; F151-L356 HydrophobicContact CE1-CD1 4.05Å; F151-L356 HydrophobicContact CE2-CB 4.36Å; F151-L356 HydrophobicContact CE2-CD1 4.19Å; F151-L356 HydrophobicContact CG-CD1 3.47Å; F151-L356 VanDerWaalsContact CG-CD1 3.47Å; F151-L356 HydrophobicContact CZ-CB 4.3Å; F151-L356 HydrophobicContact CZ-CD1 4.33Å; F151-Y359 HydrophobicContact CB-CD1 3.95Å; F151-Y359 HydrophobicContact CB-CE1 4.18Å; F151-Y359 AromaticContact CD2-CD1 3.81Å; F151-Y359 HydrophobicContact CD2-CD1 3.81Å; F151-Y359 HydrophobicContact CD2-CD2 4.42Å; F151-Y359 HydrophobicContact CD2-CE1 4.49Å; F151-Y359 AromaticContact CD2-CG 3.78Å; F151-Y359 HydrophobicContact CD2-CG 3.78Å; F151-Y359 HydrophobicContact CG-CD1 4.41Å
152K95.9Very high94.6Very high4 Ų427.9 Ų27.92%0.01714%0.142CC..Hα-helixtrans-55.8-41.9177.5-172.4-168.3-174.8-57.90111.1V148 L149 M154 V155 D156 L179 I285V148-K152 WeakPolarHBondContact O-CB 3.38Å; V148-K152 PolarHBondContact O-N 3.03Å; L149-K152 HydrophobicContact CD2-CD 4.45Å; L149-K152 WeakPolarHBondContact O-CB 3.12Å; L149-K152 PolarHBondContact O-N 3.27Å; K152-M154 VanDerWaalsContact C-N 3.26Å; K152-M154 PolarHBondContact O-N 2.82Å; K152-V155 CarbonylContact O-C 3.54Å; K152-V155 WeakPolarHBondContact O-CA 3.41Å; K152-V155 WeakPolarHBondContact O-CB 3.49Å; K152-V155 PolarHBondContact O-N 2.95Å; K152-D156 IonicContact NZ-OD1 3.01Å; K152-D156 PolarHBondContact NZ-OD1 2.96Å; K152-D156 IonicContact NZ-OD2 3.31Å; K152-D156 PolarHBondContact NZ-OD2 3.2Å; K152-D156 PolarHBondContact O-N 3.11Å; K152-L179 HydrophobicContact CB-CD1 3.68Å; K152-L179 HydrophobicContact CG-CD1 3.77Å; K152-I285 HydrophobicContact CD-CD1 3.98Å; K152-I285 HydrophobicContact CD-CG1 4.36Å; K152-I285 HydrophobicContact CD-CG2 3.71Å
153R94.3Very high94.3Very high123 Ų12328.4 Ų28.446%0.46415%0.145SC..Hα-helixtrans-52.8-45.7175.4-178.8-175.262.380.72.7111.1L149 D150 F151 V155 D156 T157L149-R153 PolarHBondContact O-N 3.49Å; D150-R153 WeakPolarHBondContact O-CB 3.44Å; D150-R153 PolarHBondContact O-N 3.03Å; D150-R153 IonicContact OD1-CZ 2.96Å; D150-R153 IonicContact OD1-NE 2.78Å; D150-R153 PolarHBondContact OD1-NE 3.2Å; D150-R153 IonicContact OD1-NH2 3.93Å; D150-R153 PolarHBondContact OD1-NH2 3.21Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 3.39Å; R153-V155 VanDerWaalsContact C-N 3.31Å; R153-V155 PolarHBondContact O-N 3.34Å; R153-D156 PolarHBondContact O-N 3.08Å; R153-T157 WeakPolarHBondContact O-CB 3.32Å; R153-T157 WeakPolarHBondContact O-CG2 3.48Å; R153-T157 PolarHBondContact O-N 2.71Å; R153-T157 PolarHBondContact O-OG1 3Å
154M94.4Very high94Very high18 Ų1827.4 Ų27.49%0.08914%0.14CC..Hα-helixtrans-66.4-32.2177.6-62.2-172.7-68.500113.4D150 F151 K152 E158 T159 L160 Y359D150-M154 PolarHBondContact O-N 3.45Å; F151-M154 HydrophobicContact CD2-CE 3.89Å; F151-M154 HydrophobicContact CE2-CE 4.48Å; F151-M154 HydrophobicContact CG-CE 4.39Å; F151-M154 WeakPolarHBondContact O-CB 3.43Å; F151-M154 PolarHBondContact O-N 2.95Å; K152-M154 VanDerWaalsContact C-N 3.26Å; K152-M154 PolarHBondContact O-N 2.82Å; M154-E158 CarbonylContact O-C 3.58Å; M154-E158 PolarHBondContact O-N 3.05Å; M154-T159 WeakPolarHBondContact CA-OG1 3.43Å; M154-T159 PolarHBondContact O-N 3.28Å; M154-L160 HydrophobicContact CB-CD1 4.16Å; M154-L160 HydrophobicContact CE-CD1 3.93Å; M154-L160 PolarHBondContact O-N 3.01Å; M154-L160 HydrophobicContact SD-CD1 4.49Å; M154-Y359 HydrophobicContact CE-CD1 4.32Å; M154-Y359 HydrophobicContact CE-CD2 3.8Å; M154-Y359 HydrophobicContact CE-CE1 3.86Å; M154-Y359 HydrophobicContact CE-CE2 3.26Å; M154-Y359 HydrophobicContact CE-CG 4.3Å; M154-Y359 HydrophobicContact SD-CE2 4.1Å
155V92.6Very high93.6Very high10 Ų1027.9 Ų27.96%0.06114%0.142CC..Hα-helixtrans-67.9-53.1172.9177.80000109.5F151 K152 R153 T157 E158 Y176F151-V155 HydrophobicContact CD1-CG2 3.86Å; F151-V155 HydrophobicContact CE1-CG2 3.58Å; F151-V155 HydrophobicContact CZ-CG2 4.48Å; F151-V155 PolarHBondContact O-N 3.29Å; K152-V155 CarbonylContact O-C 3.54Å; K152-V155 WeakPolarHBondContact O-CA 3.41Å; K152-V155 WeakPolarHBondContact O-CB 3.49Å; K152-V155 PolarHBondContact O-N 2.95Å; R153-V155 VanDerWaalsContact C-N 3.31Å; R153-V155 PolarHBondContact O-N 3.34Å; V155-T157 VanDerWaalsContact C-N 3.28Å; V155-T157 PolarHBondContact O-N 3.24Å; V155-E158 PolarHBondContact O-N 3.02Å; V155-Y176 HydrophobicContact CG1-CD1 3.47Å; V155-Y176 VanDerWaalsContact CG1-CD1 3.47Å; V155-Y176 HydrophobicContact CG1-CE1 3.73Å; V155-Y176 HydrophobicContact CG1-CG 4.18Å; V155-Y176 VanDerWaalsContact O-CE1 3.23Å; V155-Y176 WeakPolarHBondContact O-CE1 3.33Å
156D90.2Very high92.9Very high81 Ų8130.2 Ų30.243%0.43316%0.155SC..Hα-helixtrans-60.9-35.3-178.5-62.7-24.3000112.7K152 R153 E158K152-D156 IonicContact NZ-OD1 3.01Å; K152-D156 PolarHBondContact NZ-OD1 2.96Å; K152-D156 IonicContact NZ-OD2 3.31Å; K152-D156 PolarHBondContact NZ-OD2 3.2Å; K152-D156 PolarHBondContact O-N 3.11Å; R153-D156 PolarHBondContact O-N 3.08Å; D156-E158 VanDerWaalsContact C-N 3.34Å
157T90.3Very high92.4Very high76 Ų7632.8 Ų32.847%0.46618%0.183SC..THydrogen-bonded Turntrans-91.24.7178.163.20000113.6R153 V155 T159R153-T157 WeakPolarHBondContact O-CB 3.32Å; R153-T157 WeakPolarHBondContact O-CG2 3.48Å; R153-T157 PolarHBondContact O-N 2.71Å; R153-T157 PolarHBondContact O-OG1 3Å; V155-T157 VanDerWaalsContact C-N 3.28Å; V155-T157 PolarHBondContact O-N 3.24Å; T157-T159 WeakPolarHBondContact O-CG2 3.08Å; T157-T159 PolarHBondContact O-N 3.44Å; T157-T159 VanDerWaalsContact O-N 3.12Å; T157-T159 PolarHBondContact OG1-OG1 3.43Å; T157-T159 VanDerWaalsContact OG1-OG1 3.04Å
158E89.3Confident92Very high83 Ų8337.7 Ų37.739%0.38820%0.204SC..THydrogen-bonded Turntrans54.328.3-178.8-57.1-177.4177.400114.8S31 F32 M154 V155 D156 Y176S31-E158 PolarHBondContact N-O 3.24Å; F32-E158 WeakPolarHBondContact CB-OE2 3.35Å; M154-E158 CarbonylContact O-C 3.58Å; M154-E158 PolarHBondContact O-N 3.05Å; V155-E158 PolarHBondContact O-N 3.02Å; D156-E158 VanDerWaalsContact C-N 3.34Å; E158-Y176 HydrophobicContact CG-CE1 4.28Å
159T90.5Very high91.7Very high65 Ų6539.3 Ų39.340%0.39921%0.214SC..  trans-99.512.6-179.561.70000112.8M154 T157M154-T159 WeakPolarHBondContact CA-OG1 3.43Å; M154-T159 PolarHBondContact O-N 3.28Å; T157-T159 WeakPolarHBondContact O-CG2 3.08Å; T157-T159 PolarHBondContact O-N 3.44Å; T157-T159 VanDerWaalsContact O-N 3.12Å; T157-T159 PolarHBondContact OG1-OG1 3.43Å; T157-T159 VanDerWaalsContact OG1-OG1 3.04Å
160L91.6Very high91.7Very high0 Ų039.1 Ų39.10%021%0.213CC..PPolyproline II helixtrans-62.8128175.3-162.868.1000109.7F151 M154 V162 M172 Y175 F355F151-L160 HydrophobicContact CD2-CD1 4.46Å; F151-L160 HydrophobicContact CE2-CD1 3.84Å; F151-L160 HydrophobicContact CZ-CD1 3.85Å; F151-L160 HydrophobicContact CZ-CD2 4.22Å; M154-L160 HydrophobicContact CB-CD1 4.16Å; M154-L160 HydrophobicContact CE-CD1 3.93Å; M154-L160 PolarHBondContact O-N 3.01Å; M154-L160 HydrophobicContact SD-CD1 4.49Å; L160-V162 PolarHBondContact O-N 3.28Å; L160-M172 HydrophobicContact CD2-CE 3.81Å; L160-M172 HydrophobicContact CG-CE 4.19Å; L160-Y175 HydrophobicContact CD2-CD1 3.73Å; L160-Y175 HydrophobicContact CD2-CD2 3.84Å; L160-Y175 HydrophobicContact CD2-CE1 4.36Å; L160-Y175 HydrophobicContact CD2-CE2 4.47Å; L160-Y175 HydrophobicContact CD2-CG 3.42Å; L160-Y175 VanDerWaalsContact CD2-CG 3.42Å; L160-F355 HydrophobicContact CD1-CE1 3.88Å; L160-F355 HydrophobicContact CD1-CZ 4.45Å; L160-F355 HydrophobicContact CG-CE1 4.36Å
161P90.4Very high91.7Very high28 Ų2838 Ų3818%0.18221%0.207CC..PPolyproline II helixtrans-59.4130.8-178.6-25.434.4000112.2Q26 I27 Q163 M172Q26-P161 HydrophobicContact CB-CB 3.96Å; Q26-P161 HydrophobicContact CG-CB 4.45Å; I27-P161 CarbonylContact O-C 3.56Å; I27-P161 WeakPolarHBondContact O-CA 3.27Å; P161-Q163 PolarHBondContact O-N 3.25Å; P161-M172 VanDerWaalsContact O-CE 3.26Å; P161-M172 WeakPolarHBondContact O-CE 3.44Å
162V90.6Very high91.6Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-66133.7176.7179.20000108.8Q26 I27 E29 H34 L160 Y164 P169Q26-V162 WeakPolarHBondContact CA-O 3.1Å; I27-V162 PolarHBondContact N-O 3Å; I27-V162 PolarHBondContact O-N 3.46Å; E29-V162 HydrophobicContact CB-CG2 4.2Å; H34-V162 HydrophobicContact CB-CG2 4.22Å; L160-V162 PolarHBondContact O-N 3.28Å; V162-Y164 HydrophobicContact CB-CE2 3.99Å; V162-Y164 HydrophobicContact CG1-CD2 4.16Å; V162-Y164 HydrophobicContact CG1-CE2 3.64Å; V162-P169 HydrophobicContact CG1-CB 4.13Å
163Q91.7Very high91.5Very high11 Ų1140.3 Ų40.35%0.05122%0.22CC..EExtended strand (participates in β ladder)trans-92144.3177.9-72.6-174.5-23.500111.2V24 T25 P161 P169 L170 M172 Y175 F355 R460V24-Q163 HydrophobicContact CG1-CB 3.61Å; V24-Q163 HydrophobicContact CG1-CG 3.82Å; T25-Q163 CarbonylContact O-C 3.53Å; T25-Q163 WeakPolarHBondContact O-CA 3.42Å; P161-Q163 PolarHBondContact O-N 3.25Å; Q163-P169 CarbonylContact O-C 3.55Å; Q163-P169 WeakPolarHBondContact O-CA 3.49Å; Q163-L170 HydrophobicContact CB-CB 4.2Å; Q163-L170 HydrophobicContact CB-CD1 4.05Å; Q163-L170 HydrophobicContact CB-CG 4.42Å; Q163-L170 WeakPolarHBondContact O-CB 3.37Å; Q163-L170 PolarHBondContact O-N 3.37Å; Q163-M172 HydrophobicContact CB-SD 4.12Å; Q163-M172 HydrophobicContact CG-CE 4.25Å; Q163-M172 HydrophobicContact CG-SD 4.27Å; Q163-Y175 VanDerWaalsContact CD-OH 3.24Å; Q163-Y175 PolarHBondContact NE2-OH 3.4Å; Q163-Y175 PolarHBondContact OE1-OH 3.5Å; Q163-Y175 VanDerWaalsContact OE1-OH 3.07Å; Q163-F355 HydrophobicContact CG-CE2 4.47Å; Q163-F355 VanDerWaalsContact NE2-CE2 3.29Å; Q163-R460 VanDerWaalsContact OE1-CZ 3.24Å
164Y91.1Very high91.6Very high33 Ų3334.6 Ų34.613%0.12920%0.198CC..EExtended strand (participates in β ladder)trans-128.3137.6179.4-73-107.3000110.7V24 T25 I27 E29 V162 K168 P169V24-Y164 VanDerWaalsContact CA-O 3.27Å; V24-Y164 WeakPolarHBondContact CA-O 3.43Å; T25-Y164 PolarHBondContact N-O 3.26Å; T25-Y164 PolarHBondContact O-N 3.42Å; T25-Y164 WeakPolarHBondContact OG1-CB 3.33Å; I27-Y164 HydrophobicContact CB-CD2 4.43Å; I27-Y164 HydrophobicContact CB-CE2 3.9Å; I27-Y164 HydrophobicContact CD1-CD2 3.94Å; I27-Y164 HydrophobicContact CD1-CE1 4.41Å; I27-Y164 HydrophobicContact CD1-CE2 3.6Å; I27-Y164 HydrophobicContact CG1-CD2 3.94Å; I27-Y164 HydrophobicContact CG1-CE2 3.77Å; E29-Y164 PolarHBondContact OE2-OH 3.17Å; V162-Y164 HydrophobicContact CB-CE2 3.99Å; V162-Y164 HydrophobicContact CG1-CD2 4.16Å; V162-Y164 HydrophobicContact CG1-CE2 3.64Å; Y164-K168 CarbonylContact C-O 3.54Å; Y164-K168 VanDerWaalsContact CA-O 3.24Å; Y164-K168 WeakPolarHBondContact CA-O 3.25Å; Y164-P169 HydrophobicContact CD1-CB 3.84Å; Y164-P169 HydrophobicContact CE1-CB 3.55Å; Y164-P169 HydrophobicContact CE1-CG 4.24Å; Y164-P169 HydrophobicContact CE2-CB 4.31Å; Y164-P169 HydrophobicContact CG-CB 4.34Å
165L88.6Confident91.7Very high13 Ų1333.7 Ų33.77%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-119.1120.7170.5-176.764.8000108.4L21 V24 G167 K168 L170 T458 M461 I513L21-L165 HydrophobicContact CD2-CD1 4.36Å; V24-L165 HydrophobicContact CG2-CD1 4.39Å; L165-G167 PolarHBondContact O-N 3.03Å; L165-K168 PolarHBondContact N-O 3.27Å; L165-K168 PolarHBondContact O-N 3.26Å; L165-L170 HydrophobicContact CB-CD1 4.2Å; L165-L170 HydrophobicContact CB-CD2 3.88Å; L165-L170 HydrophobicContact CB-CG 4.26Å; L165-T458 HydrophobicContact CD2-CG2 4.4Å; L165-M461 HydrophobicContact CD2-SD 4.13Å; L165-I513 HydrophobicContact CD2-CD1 4.13Å
166N84.4Confident91.8Very high49 Ų4935.4 Ų35.426%0.26220%0.2SC..THydrogen-bonded Turntrans51.140.5-177-60.1-30.7000114.1L20 R22 K168L20-N166 PolarHBondContact O-ND2 2.75Å; L20-N166 PolarHBondContact O-OD1 3.5Å; R22-N166 PolarHBondContact N-OD1 3.33Å; R22-N166 VanDerWaalsContact N-OD1 3.1Å; N166-K168 PolarHBondContact O-N 3.18Å
167G86.6Confident92Very high64 Ų6434.2 Ų34.266%0.6619%0.191SC*.THydrogen-bonded Turntrans74-0.9-17900000114.7L165L165-G167 PolarHBondContact O-N 3.03Å
168K89.4Confident92.3Very high102 Ų10230.6 Ų30.644%0.44317%0.169SC..EExtended strand (participates in β ladder)trans-96.7134.2170.8-70.8176.3176.5179.50109.7Y164 L165 N166 M461 H514Y164-K168 CarbonylContact C-O 3.54Å; Y164-K168 VanDerWaalsContact CA-O 3.24Å; Y164-K168 WeakPolarHBondContact CA-O 3.25Å; L165-K168 PolarHBondContact N-O 3.27Å; L165-K168 PolarHBondContact O-N 3.26Å; N166-K168 PolarHBondContact O-N 3.18Å; K168-M461 HydrophobicContact CB-CE 4.04Å; K168-M461 HydrophobicContact CD-CE 3.19Å; K168-M461 HydrophobicContact CG-CE 4.25Å; K168-H514 PolarHBondContact NZ-NE2 2.89Å
169P93.8Very high92.7Very high34 Ų3426.9 Ų26.922%0.22115%0.152CC..EExtended strand (participates in β ladder)trans-76.1159.2-178.736.5-41.1000111.5H34 L38 V162 Q163 Y164H34-P169 WeakPolarHBondContact CE1-CB 3.32Å; H34-P169 WeakPolarHBondContact CE1-CG 3.44Å; H34-P169 VanDerWaalsContact NE2-CB 3.32Å; H34-P169 WeakPolarHBondContact NE2-CB 3.39Å; L38-P169 HydrophobicContact CD2-CG 4.2Å; V162-P169 HydrophobicContact CG1-CB 4.13Å; Q163-P169 CarbonylContact O-C 3.55Å; Q163-P169 WeakPolarHBondContact O-CA 3.49Å; Y164-P169 HydrophobicContact CD1-CB 3.84Å; Y164-P169 HydrophobicContact CE1-CB 3.55Å; Y164-P169 HydrophobicContact CE1-CG 4.24Å; Y164-P169 HydrophobicContact CE2-CB 4.31Å; Y164-P169 HydrophobicContact CG-CB 4.34Å
170L95.7Very high93Very high3 Ų323.8 Ų23.82%0.01613%0.133CC..  trans-116.2142-175-60.1-176.5000111.2V24 Q163 L165 M172 R460 M461V24-L170 HydrophobicContact CG1-CD1 4.37Å; V24-L170 HydrophobicContact CG2-CD1 4.44Å; Q163-L170 HydrophobicContact CB-CB 4.2Å; Q163-L170 HydrophobicContact CB-CD1 4.05Å; Q163-L170 HydrophobicContact CB-CG 4.42Å; Q163-L170 WeakPolarHBondContact O-CB 3.37Å; Q163-L170 PolarHBondContact O-N 3.37Å; L165-L170 HydrophobicContact CB-CD1 4.2Å; L165-L170 HydrophobicContact CB-CD2 3.88Å; L165-L170 HydrophobicContact CB-CG 4.26Å; L170-M172 WeakPolarHBondContact O-CG 3.5Å; L170-M172 PolarHBondContact O-N 3.31Å; L170-R460 CarbonylContact C-O 3.53Å; L170-R460 WeakPolarHBondContact CA-O 3.37Å; L170-R460 HydrophobicContact CB-CB 4.11Å; L170-R460 HydrophobicContact CD2-CB 4.16Å; L170-M461 HydrophobicContact CD2-CB 4.42Å; L170-M461 HydrophobicContact CD2-CG 3.54Å
171C96.5Very high93.3Very high1 Ų123.8 Ų23.81%0.00713%0.133CC..  trans-52.2129.2169.9-176.40000111.1Q35 L38 R460 F462 Y464Q35-C171 PolarHBondContact NE2-SG 3.2Å; Q35-C171 PolarHBondContact OE1-SG 3.04Å; L38-C171 VanDerWaalsContact CD1-CA 3.42Å; L38-C171 HydrophobicContact CD1-CB 3.7Å; C171-R460 HydrophobicContact CB-CB 4.31Å; C171-R460 WeakPolarHBondContact CB-O 3.16Å; C171-R460 PolarHBondContact N-O 3.3Å; C171-R460 VanDerWaalsContact O-CZ 3.26Å; C171-R460 PolarHBondContact O-NE 3.01Å; C171-R460 PolarHBondContact O-NH2 3.39Å; C171-F462 WeakPolarHBondContact CB-O 3.27Å; C171-Y464 PolarHBondContact SG-N 3.06Å; C171-Y464 VanDerWaalsContact SG-N 3.43Å
172M95.3Very high93.7Very high3 Ų322.4 Ų22.42%0.01512%0.124CC..  trans-102.7-3.8-177.8-58.4-56.8-70.900112.8L160 P161 Q163 L170 Q174 Y175 Y176L160-M172 HydrophobicContact CD2-CE 3.81Å; L160-M172 HydrophobicContact CG-CE 4.19Å; P161-M172 VanDerWaalsContact O-CE 3.26Å; P161-M172 WeakPolarHBondContact O-CE 3.44Å; Q163-M172 HydrophobicContact CB-SD 4.12Å; Q163-M172 HydrophobicContact CG-CE 4.25Å; Q163-M172 HydrophobicContact CG-SD 4.27Å; L170-M172 WeakPolarHBondContact O-CG 3.5Å; L170-M172 PolarHBondContact O-N 3.31Å; M172-Q174 VanDerWaalsContact C-N 3.3Å; M172-Q174 PolarHBondContact O-N 3.2Å; M172-Q174 VanDerWaalsContact O-N 3.16Å; M172-Y175 HydrophobicContact CB-CD2 4.34Å; M172-Y175 HydrophobicContact CE-CD2 3.52Å; M172-Y175 HydrophobicContact CE-CE2 3.46Å; M172-Y175 VanDerWaalsContact CE-CE2 3.46Å; M172-Y175 HydrophobicContact CE-CG 4.47Å; M172-Y175 WeakPolarHBondContact O-CB 3.46Å; M172-Y175 WeakPolarHBondContact O-CD2 3.32Å; M172-Y175 PolarHBondContact O-N 3.12Å; M172-Y175 HydrophobicContact SD-CD2 4.2Å; M172-Y175 HydrophobicContact SD-CE2 4.01Å; M172-Y176 HydrophobicContact CB-CE2 4.16Å; M172-Y176 VanDerWaalsContact O-CD2 3.29Å; M172-Y176 WeakPolarHBondContact O-CD2 3.46Å
173D95Very high94.1Very high49 Ų4922.5 Ų22.526%0.26213%0.125SC..Hα-helixtrans-49.9-44.4-174.117970.9000113.7Y175 Y176 Q177 Y464D173-Y175 PolarHBondContact O-N 2.96Å; D173-Y175 VanDerWaalsContact O-N 3.08Å; D173-Y176 WeakPolarHBondContact O-CB 3.48Å; D173-Y176 PolarHBondContact O-N 2.8Å; D173-Q177 PolarHBondContact O-N 2.93Å; D173-Y464 HydrophobicContact CB-CD1 3.87Å; D173-Y464 HydrophobicContact CB-CE1 4.1Å
174Q96.5Very high94.5Very high3 Ų323 Ų231%0.01413%0.127CC..Hα-helixtrans-56.8-31.7-178.8-63.6-178.739.500113.1M172 Y176 Q177 I178 A348 P352 G465M172-Q174 VanDerWaalsContact C-N 3.3Å; M172-Q174 PolarHBondContact O-N 3.2Å; M172-Q174 VanDerWaalsContact O-N 3.16Å; Q174-Y176 PolarHBondContact O-N 3.16Å; Q174-Q177 PolarHBondContact O-N 3.31Å; Q174-Q177 VanDerWaalsContact O-N 3.15Å; Q174-I178 WeakPolarHBondContact O-CG2 3.36Å; Q174-A348 HydrophobicContact CB-CB 4.05Å; Q174-P352 HydrophobicContact CB-CB 4.4Å; Q174-P352 HydrophobicContact CB-CG 3.73Å; Q174-G465 PolarHBondContact NE2-O 2.87Å; Q174-G465 VanDerWaalsContact NE2-O 3.13Å
175Y96.1Very high94.8Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-66.1-28.1176.5-68.5-77000113.3F151 L160 Q163 M172 D173 Q177 I178 P352 F355F151-Y175 AromaticContact CZ-CD1 3.9Å; F151-Y175 HydrophobicContact CZ-CD1 3.9Å; F151-Y175 HydrophobicContact CZ-CE1 4.34Å; L160-Y175 HydrophobicContact CD2-CD1 3.73Å; L160-Y175 HydrophobicContact CD2-CD2 3.84Å; L160-Y175 HydrophobicContact CD2-CE1 4.36Å; L160-Y175 HydrophobicContact CD2-CE2 4.47Å; L160-Y175 HydrophobicContact CD2-CG 3.42Å; L160-Y175 VanDerWaalsContact CD2-CG 3.42Å; Q163-Y175 VanDerWaalsContact CD-OH 3.24Å; Q163-Y175 PolarHBondContact NE2-OH 3.4Å; Q163-Y175 PolarHBondContact OE1-OH 3.5Å; Q163-Y175 VanDerWaalsContact OE1-OH 3.07Å; M172-Y175 HydrophobicContact CB-CD2 4.34Å; M172-Y175 HydrophobicContact CE-CD2 3.52Å; M172-Y175 HydrophobicContact CE-CE2 3.46Å; M172-Y175 VanDerWaalsContact CE-CE2 3.46Å; M172-Y175 HydrophobicContact CE-CG 4.47Å; M172-Y175 WeakPolarHBondContact O-CB 3.46Å; M172-Y175 WeakPolarHBondContact O-CD2 3.32Å; M172-Y175 PolarHBondContact O-N 3.12Å; M172-Y175 HydrophobicContact SD-CD2 4.2Å; M172-Y175 HydrophobicContact SD-CE2 4.01Å; D173-Y175 PolarHBondContact O-N 2.96Å; D173-Y175 VanDerWaalsContact O-N 3.08Å; Y175-Q177 VanDerWaalsContact C-N 3.29Å; Y175-I178 WeakPolarHBondContact O-CG1 3.25Å; Y175-P352 HydrophobicContact CD1-CB 3.93Å; Y175-P352 HydrophobicContact CE1-CB 3.67Å; Y175-P352 HydrophobicContact CE1-CG 4.45Å; Y175-P352 WeakPolarHBondContact CE1-O 3.5Å; Y175-P352 HydrophobicContact CE2-CB 4.45Å; Y175-P352 HydrophobicContact CE2-CG 4.43Å; Y175-P352 HydrophobicContact CG-CB 4.43Å; Y175-F355 HydrophobicContact CD1-CD1 4.39Å; Y175-F355 HydrophobicContact CE1-CB 3.91Å; Y175-F355 AromaticContact CE1-CD1 3.54Å; Y175-F355 HydrophobicContact CE1-CD1 3.54Å; Y175-F355 HydrophobicContact CE1-CE1 4.28Å; Y175-F355 AromaticContact CE1-CG 3.91Å; Y175-F355 HydrophobicContact CE1-CG 3.91Å; Y175-F355 WeakPolarHBondContact OH-CB 3.42Å
176Y93.9Very high95.1Very high46 Ų4621.5 Ų21.518%0.1813%0.125CC..Hα-helixtrans-81.5-12.8177.5-63-88.8000112.1S31 V155 E158 M172 D173 Q174 H194S31-Y176 WeakPolarHBondContact CB-OH 3.49Å; S31-Y176 PolarHBondContact OG-OH 2.92Å; V155-Y176 HydrophobicContact CG1-CD1 3.47Å; V155-Y176 VanDerWaalsContact CG1-CD1 3.47Å; V155-Y176 HydrophobicContact CG1-CE1 3.73Å; V155-Y176 HydrophobicContact CG1-CG 4.18Å; V155-Y176 VanDerWaalsContact O-CE1 3.23Å; V155-Y176 WeakPolarHBondContact O-CE1 3.33Å; E158-Y176 HydrophobicContact CG-CE1 4.28Å; M172-Y176 HydrophobicContact CB-CE2 4.16Å; M172-Y176 VanDerWaalsContact O-CD2 3.29Å; M172-Y176 WeakPolarHBondContact O-CD2 3.46Å; D173-Y176 WeakPolarHBondContact O-CB 3.48Å; D173-Y176 PolarHBondContact O-N 2.8Å; Q174-Y176 PolarHBondContact O-N 3.16Å; Y176-H194 PolarHBondContact O-CE1 3.18Å; Y176-H194 PolarHBondContact O-NE2 3.13Å
177Q94.9Very high95.3Very high55 Ų5523.5 Ų23.526%0.25714%0.14SC..Hα-helixtrans-97.8-12.4-178.2-54.8-56.9-31.500113.9D173 Q174 Y175 T181 P347D173-Q177 PolarHBondContact O-N 2.93Å; Q174-Q177 PolarHBondContact O-N 3.31Å; Q174-Q177 VanDerWaalsContact O-N 3.15Å; Y175-Q177 VanDerWaalsContact C-N 3.29Å; Q177-T181 WeakPolarHBondContact O-CB 3.48Å; Q177-T181 WeakPolarHBondContact O-CG2 3.27Å; Q177-T181 PolarHBondContact O-OG1 2.78Å; Q177-P347 HydrophobicContact CB-CB 3.97Å
178I96.4Very high95.4Very high0 Ų029.2 Ų29.20%015%0.147CC..SBendtrans-84.6-28.3-171.455.3172000114.7F151 Q174 Y175 T328 L329 A348 I353 L356F151-I178 HydrophobicContact CE1-CD1 4.48Å; Q174-I178 WeakPolarHBondContact O-CG2 3.36Å; Y175-I178 WeakPolarHBondContact O-CG1 3.25Å; I178-T328 HydrophobicContact CB-CG2 4.44Å; I178-T328 WeakPolarHBondContact O-CG2 3.19Å; I178-L329 HydrophobicContact CB-CD1 4.04Å; I178-L329 HydrophobicContact CD1-CD1 4.43Å; I178-L329 HydrophobicContact CG1-CD1 4.38Å; I178-L329 WeakPolarHBondContact O-CD1 3.17Å; I178-A348 HydrophobicContact CG2-CB 3.38Å; I178-I353 HydrophobicContact CG2-CD1 3.87Å; I178-L356 HydrophobicContact CD1-CD2 4.09Å
179L97.6Very high95.7Very high5 Ų530.1 Ų30.13%0.02615%0.147CC..SBendtrans-99.6148.3179.2-63.4171.4000110.9V148 F151 K152 T181 H194 I285 F286 L329V148-L179 HydrophobicContact CG1-CD2 3.96Å; F151-L179 HydrophobicContact CD1-CD1 4.37Å; K152-L179 HydrophobicContact CB-CD1 3.68Å; K152-L179 HydrophobicContact CG-CD1 3.77Å; L179-T181 PolarHBondContact O-N 3.15Å; L179-T181 PolarHBondContact O-OG1 2.98Å; L179-H194 PolarHBondContact O-CE1 3.02Å; L179-H194 VanDerWaalsContact O-CE1 3.25Å; L179-H194 PolarHBondContact O-ND1 2.86Å; L179-I285 HydrophobicContact CB-CG2 4.18Å; L179-I285 HydrophobicContact CD2-CG2 4.03Å; L179-F286 HydrophobicContact CD2-CD1 4.28Å; L179-L329 HydrophobicContact CD2-CD1 3.68Å; L179-L329 HydrophobicContact CG-CD1 4.44Å
180S97.6Very high96Very high0 Ų028.5 Ų28.50%014%0.137CC..SBendtrans57.727.1-179.2-48.80000113.5Y195 S196 S284 I285S180-Y195 WeakPolarHBondContact O-CB 2.96Å; S180-Y195 WeakPolarHBondContact O-CD2 3.27Å; S180-Y195 PolarHBondContact O-N 3.46Å; S180-S196 WeakPolarHBondContact CB-OG 3.37Å; S180-S196 PolarHBondContact OG-OG 3.29Å; S180-S284 WeakPolarHBondContact CA-O 3.41Å; S180-I285 PolarHBondContact N-O 2.95Å
181T98.3Very high96.1Very high0 Ų031.8 Ų31.80%016%0.157CC..EExtended strand (participates in β ladder)trans-115.9146.8-176.9-57.70000110.5Q177 L179 V192 V193 H194 K327 T328 P347Q177-T181 WeakPolarHBondContact O-CB 3.48Å; Q177-T181 WeakPolarHBondContact O-CG2 3.27Å; Q177-T181 PolarHBondContact O-OG1 2.78Å; L179-T181 PolarHBondContact O-N 3.15Å; L179-T181 PolarHBondContact O-OG1 2.98Å; T181-V192 HydrophobicContact CG2-CG1 3.36Å; T181-V193 WeakPolarHBondContact CA-O 3.35Å; T181-H194 PolarHBondContact OG1-ND1 2.85Å; T181-K327 WeakPolarHBondContact O-CE 3.28Å; T181-K327 PolarHBondContact O-NZ 3.4Å; T181-T328 VanDerWaalsContact C-OG1 3.23Å; T181-T328 VanDerWaalsContact CB-OG1 3.31Å; T181-T328 WeakPolarHBondContact CB-OG1 3.48Å; T181-T328 WeakPolarHBondContact CG2-OG1 3.23Å; T181-T328 PolarHBondContact O-N 3.07Å; T181-T328 PolarHBondContact O-OG1 3.36Å; T181-T328 VanDerWaalsContact O-OG1 3.09Å; T181-P347 HydrophobicContact CG2-CB 4.34Å; T181-P347 HydrophobicContact CG2-CG 3.84Å
182C98.6Very high96.1Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-147.5139.3174.7-163.10000109.7V193 Q282 D326 K327C182-V193 PolarHBondContact N-O 3.35Å; C182-V193 PolarHBondContact O-N 2.82Å; C182-Q282 HydrophobicContact CB-CB 4.06Å; C182-Q282 HydrophobicContact CB-CG 4.28Å; C182-Q282 WeakPolarHBondContact CB-O 3.32Å; C182-D326 PolarHBondContact SG-O 2.93Å; C182-D326 VanDerWaalsContact SG-O 3.32Å; C182-K327 HydrophobicContact CB-CD 4.48Å
183R98.7Very high96.2Very high1 Ų135.8 Ų35.80%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-71.8146.6163.9-172.7166.1172.4159.70.7109.5Y109 D190 T191 V192 D326 E344Y109-R183 PolarHBondContact O-NH1 3.16Å; Y109-R183 PolarHBondContact O-NH2 3.05Å; R183-D190 HydrophobicContact CG-CB 4.19Å; R183-D190 IonicContact CZ-OD2 3.64Å; R183-D190 VanDerWaalsContact CZ-OD2 3.31Å; R183-D190 IonicContact NE-OD2 2.69Å; R183-D190 PolarHBondContact NE-OD2 2.8Å; R183-D190 IonicContact NH2-OD2 3.3Å; R183-D190 PolarHBondContact NH2-OD2 3.46Å; R183-T191 CarbonylContact C-O 3.58Å; R183-T191 WeakPolarHBondContact CA-O 3.42Å; R183-V192 HydrophobicContact CB-CG2 4.42Å; R183-D326 HydrophobicContact CB-CB 4.35Å; R183-D326 PolarHBondContact N-O 3.41Å; R183-D326 WeakPolarHBondContact O-CB 3.41Å; R183-E344 HydrophobicContact CB-CG 4.21Å; R183-E344 VanDerWaalsContact CD-CD 3.5Å; R183-E344 VanDerWaalsContact CD-OE1 3.29Å; R183-E344 WeakPolarHBondContact CD-OE1 3.14Å; R183-E344 IonicContact CZ-OE1 2.67Å; R183-E344 IonicContact NH1-OE1 3.35Å; R183-E344 PolarHBondContact NH1-OE1 3.48Å
184I98.6Very high96.1Very high22 Ų2236 Ų3611%0.11318%0.181CC..EExtended strand (participates in β ladder)trans-124.7121.6-179.9-45.5-65.9000106.9D190 T191 V193 Y265 Q282I184-D190 WeakPolarHBondContact O-CA 3.17Å; I184-D190 WeakPolarHBondContact O-CB 3.27Å; I184-T191 WeakPolarHBondContact CB-OG1 3.41Å; I184-T191 PolarHBondContact N-O 2.81Å; I184-T191 PolarHBondContact O-N 3.17Å; I184-V193 HydrophobicContact CD1-CG2 4.31Å; I184-V193 HydrophobicContact CG1-CB 4.31Å; I184-V193 HydrophobicContact CG1-CG2 3.65Å; I184-Y265 HydrophobicContact CG2-CE1 4.22Å; I184-Q282 VanDerWaalsContact CD1-CD 3.5Å; I184-Q282 HydrophobicContact CD1-CG 4.05Å; I184-Q282 VanDerWaalsContact CD1-NE2 3.26Å
185P98.4Very high95.9Very high5 Ų538.1 Ų38.13%0.03219%0.189CC..  trans-72.1135.6-178.334.2-39.3000110.3D190 W261 Y265P185-D190 WeakPolarHBondContact CA-OD1 3.38Å; P185-W261 VanDerWaalsContact CB-CD1 3.48Å; P185-W261 HydrophobicContact CB-CG 4.05Å; P185-W261 HydrophobicContact CG-CD2 4.28Å; P185-W261 HydrophobicContact CG-CG 4.26Å; P185-W261 HydrophobicContact CG-CZ2 4.27Å; P185-Y265 HydrophobicContact CG-CD1 3.76Å; P185-Y265 HydrophobicContact CG-CD2 3.72Å; P185-Y265 HydrophobicContact CG-CE1 4.41Å; P185-Y265 HydrophobicContact CG-CE2 4.37Å; P185-Y265 HydrophobicContact CG-CG 3.37Å
186G95.2Very high95.1Very high10 Ų1039.5 Ų39.510%0.10320%0.199CC..  trans-122.7162.3173.700000112.2R113 K188 R189 D190R113-G186 PolarHBondContact NH2-O 3.36Å; G186-K188 VanDerWaalsContact C-N 3.32Å; G186-K188 PolarHBondContact O-N 2.99Å; G186-R189 VanDerWaalsContact CA-O 3.23Å; G186-R189 WeakPolarHBondContact CA-O 3.39Å; G186-D190 PolarHBondContact N-OD1 3.46Å
187P87.2Confident93.6Very high91 Ų9141.7 Ų41.759%0.59123%0.226SC*.SBendtrans-69-27.4-17526.1-34.3000113.8N259P187-N259 PolarHBondContact O-OD1 3.34Å
188K90.4Very high92Very high184 Ų18441.3 Ų41.380%0.824%0.238SC*.SBendtrans-115.3-43.2176.8-67.7-173.3177.2-175.40112.2R113 G186R113-K188 PolarHBondContact NE-O 3.22Å; G186-K188 VanDerWaalsContact C-N 3.32Å; G186-K188 PolarHBondContact O-N 2.99Å
189R95.8Very high90.4Very high120 Ų12048.4 Ų48.445%0.45328%0.281SS..SBendtrans-144143.7-173.6166.517446.7178.7-4.9108.2L110 D111 G186L110-R189 HydrophobicContact CB-CG 3.94Å; D111-R189 VanDerWaalsContact OD1-CB 3.27Å; D111-R189 WeakPolarHBondContact OD1-CB 3.22Å; D111-R189 WeakPolarHBondContact OD1-CD 3.47Å; D111-R189 WeakPolarHBondContact OD1-CG 3.23Å; G186-R189 VanDerWaalsContact CA-O 3.23Å; G186-R189 WeakPolarHBondContact CA-O 3.39Å
190D98.6Very high89.5Confident0 Ų053.6 Ų53.60%031%0.313CS..  trans-84.9168.6175.1-69.14.3000111.2L110 R113 R183 I184 P185 G186 R258L110-D190 HydrophobicContact CD2-CB 4.35Å; L110-D190 PolarHBondContact O-N 3.06Å; R113-D190 IonicContact CZ-OD1 3.88Å; R113-D190 IonicContact NH1-OD1 3.01Å; R113-D190 PolarHBondContact NH1-OD1 3.31Å; R113-D190 IonicContact NH1-OD2 3.62Å; R113-D190 IonicContact NH2-OD1 3.81Å; R113-D190 PolarHBondContact NH2-OD1 3.44Å; R183-D190 HydrophobicContact CG-CB 4.19Å; R183-D190 IonicContact CZ-OD2 3.64Å; R183-D190 VanDerWaalsContact CZ-OD2 3.31Å; R183-D190 IonicContact NE-OD2 2.69Å; R183-D190 PolarHBondContact NE-OD2 2.8Å; R183-D190 IonicContact NH2-OD2 3.3Å; R183-D190 PolarHBondContact NH2-OD2 3.46Å; I184-D190 WeakPolarHBondContact O-CA 3.17Å; I184-D190 WeakPolarHBondContact O-CB 3.27Å; P185-D190 WeakPolarHBondContact CA-OD1 3.38Å; G186-D190 PolarHBondContact N-OD1 3.46Å; D190-R258 IonicContact OD2-CZ 3.78Å; D190-R258 VanDerWaalsContact OD2-CZ 3.28Å; D190-R258 IonicContact OD2-NE 3.35Å; D190-R258 PolarHBondContact OD2-NE 3.36Å; D190-R258 IonicContact OD2-NH2 2.97Å; D190-R258 PolarHBondContact OD2-NH2 3.12Å
191T98.1Very high88.7Confident73 Ų7357 Ų5745%0.44834%0.335SS..EExtended strand (participates in β ladder)trans-130.3158171.858.90000109.9R183 I184R183-T191 CarbonylContact C-O 3.58Å; R183-T191 WeakPolarHBondContact CA-O 3.42Å; I184-T191 WeakPolarHBondContact CB-OG1 3.41Å; I184-T191 PolarHBondContact N-O 2.81Å; I184-T191 PolarHBondContact O-N 3.17Å
192V97.7Very high88.3Confident40 Ų4057.7 Ų57.724%0.24234%0.34CS..EExtended strand (participates in β ladder)trans-111.1132.9169.6169.20000108.5M105 L110 T181 R183 A346 P347M105-V192 HydrophobicContact CE-CB 3.94Å; M105-V192 HydrophobicContact CE-CG2 3.56Å; L110-V192 HydrophobicContact CD2-CG2 4.01Å; T181-V192 HydrophobicContact CG2-CG1 3.36Å; R183-V192 HydrophobicContact CB-CG2 4.42Å; V192-A346 HydrophobicContact CG2-CB 3.94Å; V192-P347 HydrophobicContact CG1-CG 4.11Å
193V96.4Very high88.1Confident48 Ų4860.3 Ų60.329%0.29136%0.358SS..EExtended strand (participates in β ladder)trans-119.3123.1178.2-179.10000109.1T181 C182 I184 Y195T181-V193 WeakPolarHBondContact CA-O 3.35Å; C182-V193 PolarHBondContact N-O 3.35Å; C182-V193 PolarHBondContact O-N 2.82Å; I184-V193 HydrophobicContact CD1-CG2 4.31Å; I184-V193 HydrophobicContact CG1-CB 4.31Å; I184-V193 HydrophobicContact CG1-CG2 3.65Å; V193-Y195 HydrophobicContact CB-CE2 3.95Å; V193-Y195 HydrophobicContact CG1-CD1 4.11Å; V193-Y195 HydrophobicContact CG1-CD2 4.04Å; V193-Y195 HydrophobicContact CG1-CE1 3.72Å; V193-Y195 HydrophobicContact CG1-CE2 3.62Å; V193-Y195 HydrophobicContact CG1-CG 4.28Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.47Å
194H94.1Very high88.1Confident53 Ų5361.3 Ų61.325%0.24536%0.363CS..EExtended strand (participates in β ladder)trans-101.3116.5173.5179.463.3000110Y176 L179 T181 S196Y176-H194 PolarHBondContact O-CE1 3.18Å; Y176-H194 PolarHBondContact O-NE2 3.13Å; L179-H194 PolarHBondContact O-CE1 3.02Å; L179-H194 VanDerWaalsContact O-CE1 3.25Å; L179-H194 PolarHBondContact O-ND1 2.86Å; T181-H194 PolarHBondContact OG1-ND1 2.85Å; H194-S196 WeakPolarHBondContact NE2-CB 3.39Å
195Y90.9Very high88.1Confident47 Ų4760.3 Ų60.318%0.18436%0.357CS..SBendtrans-91.6-8.7-170.4-69.9-82.4000114.6S180 V193 A197 Q282 K283S180-Y195 WeakPolarHBondContact O-CB 2.96Å; S180-Y195 WeakPolarHBondContact O-CD2 3.27Å; S180-Y195 PolarHBondContact O-N 3.46Å; V193-Y195 HydrophobicContact CB-CE2 3.95Å; V193-Y195 HydrophobicContact CG1-CD1 4.11Å; V193-Y195 HydrophobicContact CG1-CD2 4.04Å; V193-Y195 HydrophobicContact CG1-CE1 3.72Å; V193-Y195 HydrophobicContact CG1-CE2 3.62Å; V193-Y195 HydrophobicContact CG1-CG 4.28Å; V193-Y195 VanDerWaalsContact CG1-CZ 3.47Å; Y195-A197 VanDerWaalsContact C-N 3.32Å; Y195-Q282 WeakPolarHBondContact CD2-O 3.44Å; Y195-Q282 HydrophobicContact CE2-CB 3.93Å; Y195-Q282 WeakPolarHBondContact CE2-O 3.47Å; Y195-K283 HydrophobicContact CD1-CD 4.37Å; Y195-K283 HydrophobicContact CD1-CG 3.55Å; Y195-K283 HydrophobicContact CD2-CG 4.23Å; Y195-K283 HydrophobicContact CE1-CG 3.67Å; Y195-K283 HydrophobicContact CE2-CG 4.35Å; Y195-K283 HydrophobicContact CG-CB 4.43Å; Y195-K283 HydrophobicContact CG-CG 3.82Å
196S79.8Confident88.1Confident30 Ų3060 Ų6021%0.2136%0.356CS..THydrogen-bonded Turntrans-77.1-16.2177.3-51.60000113.5S180 H194 G198S180-S196 WeakPolarHBondContact CB-OG 3.37Å; S180-S196 PolarHBondContact OG-OG 3.29Å; H194-S196 WeakPolarHBondContact NE2-CB 3.39Å; S196-G198 PolarHBondContact O-N 3.24Å
197A62.6Low88.3Confident91 Ų9159.6 Ų59.675%0.75235%0.351SS*.THydrogen-bonded Turntrans-78.65.5178.100000114.5Y195Y195-A197 VanDerWaalsContact C-N 3.32Å
198G61.9Low88.9Confident48 Ų4855.2 Ų55.250%0.49532%0.323SS..SBendtrans-93.4177.9-179.800000114.5S196 T200S196-G198 PolarHBondContact O-N 3.24Å; G198-T200 PolarHBondContact O-N 3.28Å
199T62.6Low89.3Confident148 Ų14846.5 Ų46.591%0.90829%0.285SS*.SBendtrans-65.4-19.5-179.349.80000114.7
200T77.1Confident89.4Confident115 Ų11541.9 Ų41.971%0.70627%0.269SS*.SBendtrans-141.5106.1177-44.80000108.5G198G198-T200 PolarHBondContact O-N 3.28Å
201P82.1Confident89.4Confident71 Ų7143.4 Ų43.446%0.46128%0.276SS..  trans-65.3147.3-179.225.9-32.6000110.5S203P201-S203 PolarHBondContact O-N 2.82Å
202P89.7Confident89.4Confident15 Ų1540.4 Ų40.410%0.09726%0.257CS..  trans-60.9135.5176.5-2333.9000112.4K283 I285P202-K283 WeakPolarHBondContact CB-O 3.29Å; P202-K283 HydrophobicContact CG-CB 4.47Å; P202-K283 WeakPolarHBondContact CG-O 3.41Å; P202-I285 HydrophobicContact CB-CG1 4.43Å
203S94.6Very high89.5Confident55 Ų5538.6 Ų38.639%0.38525%0.245SC..  trans-112.312.1-178.557.40000113.4P201 V218P201-S203 PolarHBondContact O-N 2.82Å; S203-V218 WeakPolarHBondContact O-CG2 3.49Å; S203-V218 PolarHBondContact O-N 3.13Å
204H98.3Very high89.6Confident22 Ų2236.3 Ų36.310%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-130.9153.6-174.575-79.6000112.9V215 L216 A280 S284 I285H204-V215 HydrophobicContact CB-CG1 3.83Å; H204-L216 CarbonylContact C-O 3.58Å; H204-L216 VanDerWaalsContact CA-O 3.27Å; H204-L216 WeakPolarHBondContact CA-O 3.44Å; H204-L216 WeakPolarHBondContact CB-O 3.38Å; H204-A280 PolarHBondContact NE2-O 3.21Å; H204-S284 CarbonylContact O-C 3.48Å; H204-S284 WeakPolarHBondContact O-CA 3.47Å; H204-I285 WeakPolarHBondContact O-CG1 3.45Å; H204-I285 PolarHBondContact O-N 3.32Å
205V98.9Very high89.8Confident0 Ų034.5 Ų34.50%022%0.224CC..EExtended strand (participates in β ladder)trans-104.4161.2164.7-57.70000109.6V207 L216 V218 I285 F286V205-V207 HydrophobicContact CG2-CG2 4.28Å; V205-L216 HydrophobicContact CG2-CB 3.86Å; V205-L216 HydrophobicContact CG2-CD2 4.04Å; V205-L216 HydrophobicContact CG2-CG 4.12Å; V205-L216 PolarHBondContact N-O 3.5Å; V205-L216 PolarHBondContact O-N 2.77Å; V205-V218 HydrophobicContact CB-CG1 4.38Å; V205-V218 HydrophobicContact CG1-CG1 3.91Å; V205-V218 HydrophobicContact CG1-CG2 4.35Å; V205-V218 HydrophobicContact CG2-CG1 3.76Å; V205-I285 HydrophobicContact CG1-CB 4.34Å; V205-F286 HydrophobicContact CG1-CD1 3.95Å; V205-F286 HydrophobicContact CG1-CD2 4.39Å; V205-F286 HydrophobicContact CG1-CE1 3.54Å; V205-F286 HydrophobicContact CG1-CE2 4.06Å; V205-F286 HydrophobicContact CG1-CG 4.35Å; V205-F286 HydrophobicContact CG1-CZ 3.61Å
206T98.9Very high90.2Very high0 Ų032.2 Ų32.20%022%0.215CC..EExtended strand (participates in β ladder)trans-101.3132.6166.532.40000110.7F214 I281 S284 F286 T287 V288 L383T206-F214 CarbonylContact C-O 3.59Å; T206-F214 VanDerWaalsContact CA-O 3.28Å; T206-F214 WeakPolarHBondContact CA-O 3.44Å; T206-I281 HydrophobicContact CG2-CB 4.4Å; T206-I281 HydrophobicContact CG2-CG1 4.01Å; T206-S284 WeakPolarHBondContact OG1-CB 3.47Å; T206-S284 PolarHBondContact OG1-OG 2.85Å; T206-F286 PolarHBondContact N-O 3.13Å; T206-F286 VanDerWaalsContact N-O 3.12Å; T206-T287 CarbonylContact O-C 3.59Å; T206-T287 WeakPolarHBondContact O-CA 3.35Å; T206-T287 PolarHBondContact OG1-OG1 3.39Å; T206-V288 PolarHBondContact O-N 2.91Å; T206-L383 HydrophobicContact CG2-CD1 4.21Å
207V98.9Very high91Very high0 Ų034.6 Ų34.60%023%0.226CC..EExtended strand (participates in β ladder)trans-111.4134173.3-174.70000108.3V205 F213 F214 L216 L235 I238 V288 L290V205-V207 HydrophobicContact CG2-CG2 4.28Å; V207-F213 CarbonylContact O-C 3.53Å; V207-F213 WeakPolarHBondContact O-CA 3.39Å; V207-F214 PolarHBondContact N-O 3.17Å; V207-F214 PolarHBondContact O-N 2.73Å; V207-L216 HydrophobicContact CG2-CB 4.12Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; V207-L235 HydrophobicContact CG1-CD2 4.14Å; V207-L235 HydrophobicContact CG2-CD2 4.03Å; V207-I238 HydrophobicContact CB-CD1 3.96Å; V207-I238 HydrophobicContact CB-CG2 4.39Å; V207-I238 HydrophobicContact CG1-CD1 4.32Å; V207-I238 HydrophobicContact CG1-CG2 3.97Å; V207-I238 HydrophobicContact CG2-CD1 3.88Å; V207-V288 CarbonylContact C-O 3.53Å; V207-V288 WeakPolarHBondContact CA-O 3.43Å; V207-V288 HydrophobicContact CG2-CB 4.4Å; V207-L290 HydrophobicContact CG1-CD1 3.9Å; V207-L290 HydrophobicContact CG1-CG 4.1Å
208V98.9Very high92.7Very high0 Ų030.2 Ų30.20%019%0.19CC..EExtended strand (participates in β ladder)trans-120.9128.1175.467.70000110.2Q212 F213 T287 V288 C289 L290 N322V208-Q212 WeakPolarHBondContact CA-O 3.48Å; V208-F213 HydrophobicContact CB-CD1 3.75Å; V208-F213 HydrophobicContact CB-CE1 3.73Å; V208-F213 HydrophobicContact CB-CG 4.3Å; V208-F213 HydrophobicContact CB-CZ 4.25Å; V208-F213 HydrophobicContact CG1-CE1 4.3Å; V208-F213 HydrophobicContact CG2-CD1 3.83Å; V208-F213 HydrophobicContact CG2-CD2 4.01Å; V208-F213 HydrophobicContact CG2-CE1 3.65Å; V208-F213 HydrophobicContact CG2-CE2 3.83Å; V208-F213 HydrophobicContact CG2-CG 4Å; V208-F213 HydrophobicContact CG2-CZ 3.65Å; V208-T287 HydrophobicContact CG1-CG2 4.18Å; V208-V288 PolarHBondContact N-O 2.72Å; V208-C289 HydrophobicContact CG1-CB 3.83Å; V208-L290 PolarHBondContact O-N 3.31Å; V208-N322 VanDerWaalsContact CG1-O 3.26Å; V208-N322 WeakPolarHBondContact CG1-O 3.5Å; V208-N322 WeakPolarHBondContact CG2-OD1 3.16Å
209H98.7Very high94.3Very high1 Ų130.5 Ų30.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-144.1131.1176.7178.5-128.2000108.8F211 Q212 W239 S242 L290 N322H209-F211 PolarHBondContact O-N 3.11Å; H209-Q212 PolarHBondContact N-O 2.97Å; H209-Q212 VanDerWaalsContact N-O 3.12Å; H209-Q212 WeakPolarHBondContact O-CB 3.39Å; H209-Q212 PolarHBondContact O-N 3.1Å; H209-W239 AromaticContact CD2-CZ3 3.85Å; H209-W239 AromaticContact CE1-CD2 3.56Å; H209-W239 AromaticContact CE1-CE2 3.84Å; H209-W239 AromaticContact CE1-CE3 3.51Å; H209-W239 AromaticContact CE1-CZ3 3.77Å; H209-W239 AromaticContact ND1-CE3 3.99Å; H209-W239 AromaticContact NE2-CD2 3.99Å; H209-W239 AromaticContact NE2-CE3 3.55Å; H209-W239 AromaticContact NE2-CH2 3.56Å; H209-W239 AromaticContact NE2-CZ2 3.99Å; H209-W239 AromaticContact NE2-CZ3 3.32Å; H209-W239 VanDerWaalsContact NE2-CZ3 3.32Å; H209-W239 WeakPolarHBondContact NE2-CZ3 3.36Å; H209-S242 PolarHBondContact ND1-OG 3.03Å; H209-L290 HydrophobicContact CB-CB 4.1Å; H209-L290 HydrophobicContact CB-CD1 4.35Å; H209-L290 PolarHBondContact CD2-O 3.21Å; H209-N322 WeakPolarHBondContact CA-OD1 3.35Å; H209-N322 PolarHBondContact N-OD1 3.45Å
210N98.3Very high95.6Very high23 Ų2325.4 Ų25.412%0.12314%0.143CC..THydrogen-bonded Turntrans47.944-173.8-68.4-36.5000113Q212 S242 T245 N322N210-Q212 WeakPolarHBondContact O-CG 3.46Å; N210-Q212 PolarHBondContact O-N 3.45Å; N210-S242 WeakPolarHBondContact CB-O 3.34Å; N210-S242 PolarHBondContact ND2-O 3.25Å; N210-T245 HydrophobicContact CB-CG2 4.48Å; N210-N322 PolarHBondContact N-OD1 3.02Å
211F98.6Very high96Very high32 Ų3226.6 Ų26.614%0.1416%0.156CC..THydrogen-bonded Turntrans68.76.9179.5-37.1-43.6000115.7H209 P249 W318 N322H209-F211 PolarHBondContact O-N 3.11Å; F211-P249 HydrophobicContact CB-CB 4.2Å; F211-P249 HydrophobicContact CD1-CB 4.24Å; F211-P249 HydrophobicContact CD2-CB 3.9Å; F211-P249 HydrophobicContact CE2-CB 4.32Å; F211-P249 HydrophobicContact CG-CB 3.84Å; F211-W318 WeakPolarHBondContact CE1-O 3.25Å; F211-N322 HydrophobicContact CD1-CB 3.96Å; F211-N322 HydrophobicContact CE1-CB 4.22Å; F211-N322 PolarHBondContact N-OD1 3.17Å
212Q98.8Very high96.3Very high10 Ų1028.7 Ų28.75%0.04716%0.164CC..EExtended strand (participates in β ladder)trans-103.8126.7-179.2-51.9-176.7156.100110.4V208 H209 N210 F214 S241 K247V208-Q212 WeakPolarHBondContact CA-O 3.48Å; H209-Q212 PolarHBondContact N-O 2.97Å; H209-Q212 VanDerWaalsContact N-O 3.12Å; H209-Q212 WeakPolarHBondContact O-CB 3.39Å; H209-Q212 PolarHBondContact O-N 3.1Å; N210-Q212 WeakPolarHBondContact O-CG 3.46Å; N210-Q212 PolarHBondContact O-N 3.45Å; Q212-F214 HydrophobicContact CB-CE2 3.86Å; Q212-F214 HydrophobicContact CB-CZ 4.49Å; Q212-F214 WeakPolarHBondContact O-CD2 3.43Å; Q212-S241 PolarHBondContact NE2-O 2.89Å; Q212-K247 HydrophobicContact CG-CB 4.24Å; Q212-K247 HydrophobicContact CG-CG 3.82Å
213F98.9Very high96.2Very high1 Ų130.3 Ų30.30%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-93.1146.3-179.3-64.5-96.9000111.8V207 V208 I250 I281 W324 L383 F385V207-F213 CarbonylContact O-C 3.53Å; V207-F213 WeakPolarHBondContact O-CA 3.39Å; V208-F213 HydrophobicContact CB-CD1 3.75Å; V208-F213 HydrophobicContact CB-CE1 3.73Å; V208-F213 HydrophobicContact CB-CG 4.3Å; V208-F213 HydrophobicContact CB-CZ 4.25Å; V208-F213 HydrophobicContact CG1-CE1 4.3Å; V208-F213 HydrophobicContact CG2-CD1 3.83Å; V208-F213 HydrophobicContact CG2-CD2 4.01Å; V208-F213 HydrophobicContact CG2-CE1 3.65Å; V208-F213 HydrophobicContact CG2-CE2 3.83Å; V208-F213 HydrophobicContact CG2-CG 4Å; V208-F213 HydrophobicContact CG2-CZ 3.65Å; F213-I250 HydrophobicContact CD2-CG2 4.27Å; F213-I250 HydrophobicContact CE2-CG2 3.94Å; F213-I281 HydrophobicContact CB-CD1 4.31Å; F213-I281 HydrophobicContact CD1-CD1 3.86Å; F213-I281 HydrophobicContact CD1-CG1 4.11Å; F213-I281 HydrophobicContact CD2-CD1 4.32Å; F213-I281 HydrophobicContact CE1-CD1 4.24Å; F213-I281 HydrophobicContact CG-CD1 3.9Å; F213-I281 HydrophobicContact CG-CG1 4.43Å; F213-W324 HydrophobicContact CE1-CB 4.05Å; F213-W324 HydrophobicContact CZ-CB 4.27Å; F213-W324 HydrophobicContact CZ-CE3 4.23Å; F213-L383 HydrophobicContact CB-CB 4.03Å; F213-L383 HydrophobicContact CB-CD1 3.98Å; F213-L383 HydrophobicContact CB-CG 4.41Å; F213-L383 WeakPolarHBondContact O-CB 3.32Å; F213-L383 PolarHBondContact O-N 3.04Å; F213-F385 HydrophobicContact CD2-CE2 4.23Å
214F98.9Very high96Very high1 Ų130.6 Ų30.60%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-135.3143.5177.7-64.3-100.8000110.2T206 V207 Q212 I238 Q381 K382T206-F214 CarbonylContact C-O 3.59Å; T206-F214 VanDerWaalsContact CA-O 3.28Å; T206-F214 WeakPolarHBondContact CA-O 3.44Å; V207-F214 PolarHBondContact N-O 3.17Å; V207-F214 PolarHBondContact O-N 2.73Å; Q212-F214 HydrophobicContact CB-CE2 3.86Å; Q212-F214 HydrophobicContact CB-CZ 4.49Å; Q212-F214 WeakPolarHBondContact O-CD2 3.43Å; F214-I238 HydrophobicContact CB-CD1 4.14Å; F214-I238 HydrophobicContact CB-CG1 4.05Å; F214-I238 HydrophobicContact CB-CG2 4.38Å; F214-I238 HydrophobicContact CD1-CG1 4.12Å; F214-I238 HydrophobicContact CD1-CG2 4.42Å; F214-I238 HydrophobicContact CD2-CG2 3.57Å; F214-I238 HydrophobicContact CE2-CG2 3.85Å; F214-I238 HydrophobicContact CG-CB 4.47Å; F214-I238 HydrophobicContact CG-CG1 4.01Å; F214-I238 HydrophobicContact CG-CG2 3.88Å; F214-I238 HydrophobicContact CZ-CG2 4.39Å; F214-Q381 CarbonylContact C-O 3.48Å; F214-Q381 VanDerWaalsContact CA-O 3.28Å; F214-Q381 WeakPolarHBondContact CA-O 3.24Å; F214-K382 HydrophobicContact CD1-CB 3.84Å; F214-K382 HydrophobicContact CD1-CG 4.2Å; F214-K382 HydrophobicContact CE1-CB 3.59Å; F214-K382 HydrophobicContact CE1-CD 4Å; F214-K382 HydrophobicContact CE1-CG 3.7Å; F214-K382 HydrophobicContact CZ-CB 4.34Å; F214-K382 HydrophobicContact CZ-CD 3.99Å; F214-K382 HydrophobicContact CZ-CG 3.92Å
215V98.8Very high95.7Very high14 Ų1433 Ų339%0.08520%0.2CC..EExtended strand (participates in β ladder)trans-85.8124.3164.4171.10000108.1H204 A280 P380 Q381 L383H204-V215 HydrophobicContact CB-CG1 3.83Å; V215-A280 HydrophobicContact CG2-CB 3.79Å; V215-P380 WeakPolarHBondContact O-CA 3.44Å; V215-P380 WeakPolarHBondContact O-CB 3.4Å; V215-Q381 HydrophobicContact CB-CB 4.24Å; V215-Q381 PolarHBondContact N-O 3.21Å; V215-Q381 PolarHBondContact O-N 3.19Å; V215-L383 HydrophobicContact CG2-CD1 4.04Å; V215-L383 HydrophobicContact CG2-CD2 3.68Å; V215-L383 HydrophobicContact CG2-CG 4.03Å
216L98.6Very high95.5Very high0 Ų033.5 Ų33.50%020%0.203CC..EExtended strand (participates in β ladder)trans-117.5106.4171.4172.857.7000108.1I145 H204 V205 V207 V218 L231 Q234 L235 I238 P380I145-L216 HydrophobicContact CD1-CD2 4.4Å; H204-L216 CarbonylContact C-O 3.58Å; H204-L216 VanDerWaalsContact CA-O 3.27Å; H204-L216 WeakPolarHBondContact CA-O 3.44Å; H204-L216 WeakPolarHBondContact CB-O 3.38Å; V205-L216 HydrophobicContact CG2-CB 3.86Å; V205-L216 HydrophobicContact CG2-CD2 4.04Å; V205-L216 HydrophobicContact CG2-CG 4.12Å; V205-L216 PolarHBondContact N-O 3.5Å; V205-L216 PolarHBondContact O-N 2.77Å; V207-L216 HydrophobicContact CG2-CB 4.12Å; V207-L216 HydrophobicContact CG2-CD2 4.02Å; L216-V218 HydrophobicContact CG-CG1 4.15Å; L216-L231 HydrophobicContact CD2-CD2 4.25Å; L216-Q234 HydrophobicContact CD1-CB 3.47Å; L216-Q234 VanDerWaalsContact CD1-CB 3.47Å; L216-Q234 HydrophobicContact CD1-CG 3.9Å; L216-L235 HydrophobicContact CD2-CD2 4.26Å; L216-I238 HydrophobicContact CB-CD1 4.28Å; L216-I238 HydrophobicContact CD2-CD1 4.4Å; L216-P380 HydrophobicContact CD1-CG 4.27Å
217D97.8Very high95.2Very high79 Ų7935.1 Ų35.142%0.42221%0.213SC..EExtended strand (participates in β ladder)trans-62.6134.8167.1-68-49.3000109.3L226D217-L226 WeakPolarHBondContact O-CD1 3.42Å
218V97.4Very high95Very high0 Ų036.1 Ų36.10%022%0.219CC..  trans-118.58.9-174.3-65.50000113.2I145 L149 S203 V205 L216 P225 L226 L231 I285I145-V218 HydrophobicContact CG2-CG1 4.09Å; L149-V218 HydrophobicContact CD1-CB 3.65Å; L149-V218 HydrophobicContact CD1-CG1 4.31Å; L149-V218 HydrophobicContact CD1-CG2 3.86Å; L149-V218 HydrophobicContact CD2-CB 4.42Å; L149-V218 HydrophobicContact CD2-CG2 3.7Å; L149-V218 HydrophobicContact CG-CG2 4.43Å; S203-V218 WeakPolarHBondContact O-CG2 3.49Å; S203-V218 PolarHBondContact O-N 3.13Å; V205-V218 HydrophobicContact CB-CG1 4.38Å; V205-V218 HydrophobicContact CG1-CG1 3.91Å; V205-V218 HydrophobicContact CG1-CG2 4.35Å; V205-V218 HydrophobicContact CG2-CG1 3.76Å; L216-V218 HydrophobicContact CG-CG1 4.15Å; V218-P225 WeakPolarHBondContact O-CA 3.37Å; V218-L226 PolarHBondContact O-N 2.92Å; V218-L231 HydrophobicContact CG1-CD2 4.07Å; V218-I285 HydrophobicContact CG2-CD1 3.83Å
219Y94.6Very high94.7Very high54 Ų5438 Ų3821%0.21223%0.229CC..BIsolated β-bridgetrans-126.2142.4171.8-63.8-86.5000109.6L149 G223 T224 P225 I285L149-Y219 HydrophobicContact CD2-CE2 4.31Å; Y219-G223 WeakPolarHBondContact CD1-O 3.4Å; Y219-T224 CarbonylContact C-O 3.49Å; Y219-T224 VanDerWaalsContact CA-O 3.26Å; Y219-T224 WeakPolarHBondContact CA-O 3.36Å; Y219-P225 HydrophobicContact CD1-CB 4.22Å; Y219-P225 HydrophobicContact CE1-CB 4.14Å; Y219-I285 HydrophobicContact CE2-CD1 4.07Å
220N90.8Very high94.5Very high41 Ų4138.7 Ų38.722%0.21923%0.232CC..  trans-68.9168.5168.1-65.2-62.9000110.2D222 G223 T224 L226 Q230N220-D222 VanDerWaalsContact CB-OD1 3.26Å; N220-D222 WeakPolarHBondContact CB-OD1 3.5Å; N220-D222 PolarHBondContact O-N 2.88Å; N220-G223 PolarHBondContact O-N 2.86Å; N220-T224 PolarHBondContact N-O 2.85Å; N220-T224 PolarHBondContact ND2-O 3.42Å; N220-T224 PolarHBondContact ND2-OG1 2.81Å; N220-L226 WeakPolarHBondContact OD1-CD2 3.33Å; N220-Q230 PolarHBondContact OD1-NE2 3Å
221S86.4Confident94.4Very high140 Ų14037.6 Ų37.698%0.97923%0.226SC*.THydrogen-bonded Turntrans-62.1-22.3178.353.20000114.2G223S221-G223 VanDerWaalsContact C-N 3.27Å
222D87.1Confident94.3Very high115 Ų11536.5 Ų36.562%0.61522%0.222SC*.THydrogen-bonded Turntrans-84.30.9174.766.90.6000113.3N220 T224N220-D222 VanDerWaalsContact CB-OD1 3.26Å; N220-D222 WeakPolarHBondContact CB-OD1 3.5Å; N220-D222 PolarHBondContact O-N 2.88Å; D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 WeakPolarHBondContact OD1-CB 3.38Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.39Å; D222-T224 PolarHBondContact OD1-N 3.44Å; D222-T224 PolarHBondContact OD1-OG1 3.49Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å
223G87.7Confident94.1Very high49 Ų4938.6 Ų38.651%0.50523%0.232SC..SBendtrans83.90-178.700000114.8Y219 N220 S221Y219-G223 WeakPolarHBondContact CD1-O 3.4Å; N220-G223 PolarHBondContact O-N 2.86Å; S221-G223 VanDerWaalsContact C-N 3.27Å
224T90.5Very high94.1Very high61 Ų6138.9 Ų38.937%0.37423%0.234SC..PPolyproline II helixtrans-74143.9174.561.60000111.1Y219 N220 D222Y219-T224 CarbonylContact C-O 3.49Å; Y219-T224 VanDerWaalsContact CA-O 3.26Å; Y219-T224 WeakPolarHBondContact CA-O 3.36Å; N220-T224 PolarHBondContact N-O 2.85Å; N220-T224 PolarHBondContact ND2-O 3.42Å; N220-T224 PolarHBondContact ND2-OG1 2.81Å; D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 WeakPolarHBondContact OD1-CB 3.38Å; D222-T224 WeakPolarHBondContact OD1-CG2 3.39Å; D222-T224 PolarHBondContact OD1-N 3.44Å; D222-T224 PolarHBondContact OD1-OG1 3.49Å; D222-T224 PolarHBondContact OD2-OG1 3.3Å
225P93.1Very high94Very high73 Ų7338.9 Ų38.947%0.47423%0.234SC..BIsolated β-bridgetrans-66.4146.2176.928-34.2000111.1V218 Y219V218-P225 WeakPolarHBondContact O-CA 3.37Å; Y219-P225 HydrophobicContact CD1-CB 4.22Å; Y219-P225 HydrophobicContact CE1-CB 4.14Å
226L94.1Very high94Very high10 Ų1040.5 Ų40.55%0.05224%0.24CC..PPolyproline II helixtrans-61.4141.1171-67.4-172.4000110.7D217 V218 N220 Q230 L231 L377D217-L226 WeakPolarHBondContact O-CD1 3.42Å; V218-L226 PolarHBondContact O-N 2.92Å; N220-L226 WeakPolarHBondContact OD1-CD2 3.33Å; L226-Q230 HydrophobicContact CB-CB 4.19Å; L226-Q230 HydrophobicContact CD2-CB 4.36Å; L226-L231 HydrophobicContact CB-CD2 3.95Å; L226-L231 HydrophobicContact CB-CG 3.86Å; L226-L231 HydrophobicContact CD1-CD2 4.05Å; L226-L377 HydrophobicContact CD1-CD1 4.35Å; L226-L377 HydrophobicContact CD2-CD1 4.27Å; L226-L377 HydrophobicContact CD2-CD2 4.16Å
227T93.1Very high93.9Very high33 Ų3343.1 Ų43.120%0.20225%0.252CS..PPolyproline II helixtrans-75.5165.7175.361.70000112.3D229 Q230 L231 S372T227-D229 VanDerWaalsContact C-N 3.29Å; T227-D229 PolarHBondContact O-N 3.24Å; T227-Q230 PolarHBondContact O-N 3.5Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.41Å; T227-Q230 PolarHBondContact OG1-OE1 3.46Å; T227-L231 WeakPolarHBondContact O-CB 3.47Å; T227-L231 WeakPolarHBondContact O-CG 3.45Å; T227-L231 PolarHBondContact O-N 3.38Å; T227-S372 WeakPolarHBondContact CG2-OG 3.41Å
228V94.3Very high94Very high21 Ų2139.4 Ų39.413%0.12723%0.232CC..Hα-helixtrans-57.6-41.3178.61750000111.7R139 A142 K143 A146 L231 T232R139-V228 HydrophobicContact CG-CG1 4.21Å; A142-V228 HydrophobicContact CB-CG1 4.02Å; K143-V228 HydrophobicContact CG-CG1 3.85Å; K143-V228 HydrophobicContact CG-CG2 4.14Å; A146-V228 HydrophobicContact CB-CG2 4.11Å; V228-L231 PolarHBondContact O-N 2.96Å; V228-T232 WeakPolarHBondContact O-CB 3.3Å; V228-T232 PolarHBondContact O-N 3Å; V228-T232 PolarHBondContact O-OG1 2.87Å
229D92.4Very high94Very high41 Ų4140.6 Ų40.622%0.21924%0.237CC..Hα-helixtrans-66.7-43.6178.9-66.8-30.6000111.2R139 T227 L231 T232 M233R139-D229 IonicContact CZ-OD1 2.63Å; R139-D229 IonicContact NH1-OD1 3.29Å; R139-D229 IonicContact NH2-OD1 3.65Å; R139-D229 PolarHBondContact NH2-OD1 2.8Å; T227-D229 VanDerWaalsContact C-N 3.29Å; T227-D229 PolarHBondContact O-N 3.24Å; D229-L231 PolarHBondContact O-N 3.3Å; D229-T232 PolarHBondContact O-N 3.46Å; D229-M233 WeakPolarHBondContact O-CG 3.3Å; D229-M233 PolarHBondContact O-N 2.75Å
230Q94.1Very high94.1Very high15 Ų1542.2 Ų42.27%0.0725%0.249CC..Hα-helixtrans-60-46.5174.6-76.5176.3-54.600112N220 L226 T227 M233 Q234 L377N220-Q230 PolarHBondContact OD1-NE2 3Å; L226-Q230 HydrophobicContact CB-CB 4.19Å; L226-Q230 HydrophobicContact CD2-CB 4.36Å; T227-Q230 PolarHBondContact O-N 3.5Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.41Å; T227-Q230 PolarHBondContact OG1-OE1 3.46Å; Q230-M233 PolarHBondContact O-N 3.33Å; Q230-Q234 VanDerWaalsContact O-CG 3.29Å; Q230-Q234 WeakPolarHBondContact O-CG 3.48Å; Q230-Q234 PolarHBondContact O-N 2.84Å; Q230-Q234 VanDerWaalsContact O-N 3.12Å; Q230-L377 HydrophobicContact CB-CD1 3.72Å; Q230-L377 HydrophobicContact CG-CD1 3.9Å
231L96.7Very high94.4Very high0 Ų042.3 Ų42.30%025%0.253CS..Hα-helixtrans-62.5-42.5176.8-72.3168.8000111.6A142 I145 A146 L216 V218 L226 T227 V228 D229 M233 Q234 L235A142-L231 HydrophobicContact CB-CB 3.65Å; I145-L231 HydrophobicContact CB-CD1 4.14Å; I145-L231 HydrophobicContact CG2-CD1 3.81Å; I145-L231 HydrophobicContact CG2-CD2 3.96Å; A146-L231 HydrophobicContact CB-CD1 4.24Å; L216-L231 HydrophobicContact CD2-CD2 4.25Å; V218-L231 HydrophobicContact CG1-CD2 4.07Å; L226-L231 HydrophobicContact CB-CD2 3.95Å; L226-L231 HydrophobicContact CB-CG 3.86Å; L226-L231 HydrophobicContact CD1-CD2 4.05Å; T227-L231 WeakPolarHBondContact O-CB 3.47Å; T227-L231 WeakPolarHBondContact O-CG 3.45Å; T227-L231 PolarHBondContact O-N 3.38Å; V228-L231 PolarHBondContact O-N 2.96Å; D229-L231 PolarHBondContact O-N 3.3Å; L231-M233 PolarHBondContact O-N 2.8Å; L231-Q234 PolarHBondContact O-N 3.47Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.45Å
232T95.9Very high95Very high9 Ų935.7 Ų35.76%0.05521%0.207CC..Hα-helixtrans-58.4-47.9177.9-57.40000110.7M138 A142 V228 D229 Q234 L235 E236M138-T232 HydrophobicContact CB-CG2 4.07Å; A142-T232 WeakPolarHBondContact CB-OG1 3.36Å; V228-T232 WeakPolarHBondContact O-CB 3.3Å; V228-T232 PolarHBondContact O-N 3Å; V228-T232 PolarHBondContact O-OG1 2.87Å; D229-T232 PolarHBondContact O-N 3.46Å; T232-Q234 VanDerWaalsContact C-N 3.33Å; T232-Q234 PolarHBondContact O-N 2.73Å; T232-L235 PolarHBondContact O-N 3.42Å; T232-E236 WeakPolarHBondContact O-CG 3.32Å; T232-E236 PolarHBondContact O-N 3.41Å
233M95.1Very high95.4Very high53 Ų5335.2 Ų35.226%0.26120%0.203SC..Hα-helixtrans-59.8-41.3176.5-69.6176.96300112.9D229 Q230 L231 E236 K237 M374D229-M233 WeakPolarHBondContact O-CG 3.3Å; D229-M233 PolarHBondContact O-N 2.75Å; Q230-M233 PolarHBondContact O-N 3.33Å; L231-M233 PolarHBondContact O-N 2.8Å; M233-E236 PolarHBondContact O-N 3.24Å; M233-K237 WeakPolarHBondContact O-CG 3.42Å; M233-K237 PolarHBondContact O-N 3.02Å; M233-K237 VanDerWaalsContact O-N 3.09Å; M233-M374 HydrophobicContact CE-CE 3.43Å; M233-M374 VanDerWaalsContact CE-CE 3.43Å; M233-M374 HydrophobicContact SD-CE 3.5Å; M233-M374 VanDerWaalsContact SD-CE 3.5Å; M233-M374 HydrophobicContact SD-CG 4.14Å; M233-M374 HydrophobicContact SD-SD 4.18Å
234Q97.9Very high95.7Very high8 Ų838.1 Ų38.14%0.03720%0.204CC..Hα-helixtrans-68.7-37.2179.5-65.5-68.6101.800111.7L216 Q230 L231 T232 K237 I238 L377 P378 P380L216-Q234 HydrophobicContact CD1-CB 3.47Å; L216-Q234 VanDerWaalsContact CD1-CB 3.47Å; L216-Q234 HydrophobicContact CD1-CG 3.9Å; Q230-Q234 VanDerWaalsContact O-CG 3.29Å; Q230-Q234 WeakPolarHBondContact O-CG 3.48Å; Q230-Q234 PolarHBondContact O-N 2.84Å; Q230-Q234 VanDerWaalsContact O-N 3.12Å; L231-Q234 PolarHBondContact O-N 3.47Å; T232-Q234 VanDerWaalsContact C-N 3.33Å; T232-Q234 PolarHBondContact O-N 2.73Å; Q234-K237 WeakPolarHBondContact O-CB 3.48Å; Q234-K237 PolarHBondContact O-N 2.95Å; Q234-I238 WeakPolarHBondContact O-CG1 3.49Å; Q234-I238 PolarHBondContact O-N 3.37Å; Q234-L377 HydrophobicContact CG-CB 4.5Å; Q234-L377 HydrophobicContact CG-CD1 3.86Å; Q234-L377 VanDerWaalsContact OE1-CB 3.31Å; Q234-P378 PolarHBondContact NE2-O 2.91Å; Q234-P378 PolarHBondContact OE1-O 3.16Å; Q234-P380 HydrophobicContact CB-CG 4.19Å
235L98.5Very high95.6Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-65.8-39.5174.1-69.8170000111.9M138 A141 A142 I145 V207 L216 L231 T232 K237 I238 W239M138-L235 HydrophobicContact CB-CB 4.38Å; M138-L235 HydrophobicContact CG-CB 4.42Å; M138-L235 WeakPolarHBondContact O-CD1 3.38Å; M138-L235 HydrophobicContact SD-CB 3.72Å; A141-L235 HydrophobicContact CB-CD1 3.81Å; A142-L235 HydrophobicContact CB-CD1 4.11Å; I145-L235 HydrophobicContact CD1-CD1 4.2Å; I145-L235 HydrophobicContact CD1-CD2 4.32Å; V207-L235 HydrophobicContact CG1-CD2 4.14Å; V207-L235 HydrophobicContact CG2-CD2 4.03Å; L216-L235 HydrophobicContact CD2-CD2 4.26Å; L231-L235 VanDerWaalsContact O-CG 3.3Å; L231-L235 WeakPolarHBondContact O-CG 3.44Å; L231-L235 PolarHBondContact O-N 3.45Å; T232-L235 PolarHBondContact O-N 3.42Å; L235-K237 VanDerWaalsContact C-N 3.35Å; L235-K237 PolarHBondContact O-N 2.88Å; L235-I238 HydrophobicContact CD2-CD1 4.5Å; L235-I238 WeakPolarHBondContact O-CB 3.47Å; L235-I238 PolarHBondContact O-N 3.31Å; L235-W239 WeakPolarHBondContact O-CB 3.2Å; L235-W239 PolarHBondContact O-N 3.01Å
236E97.1Very high95.5Very high48 Ų4842 Ų4222%0.22422%0.222CC..Hα-helixtrans-61.8-40.7173.1-72.5177.9174.400112.3M138 T232 M233 I238 W239 N240M138-E236 HydrophobicContact CG-CG 4.17Å; T232-E236 WeakPolarHBondContact O-CG 3.32Å; T232-E236 PolarHBondContact O-N 3.41Å; M233-E236 PolarHBondContact O-N 3.24Å; E236-I238 VanDerWaalsContact C-N 3.35Å; E236-I238 PolarHBondContact O-N 3.48Å; E236-W239 PolarHBondContact O-N 2.95Å; E236-N240 WeakPolarHBondContact O-CB 3.33Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.42Å; E236-N240 PolarHBondContact O-ND2 3.05Å; E236-N240 VanDerWaalsContact O-ND2 3.15Å
237K97.9Very high95.5Very high56 Ų5645.4 Ų45.424%0.24324%0.236CC..Hα-helixtrans-60.8-42.9173-72.8173.7-176.2172.60111.9M233 Q234 L235 S241 L377 M379M233-K237 WeakPolarHBondContact O-CG 3.42Å; M233-K237 PolarHBondContact O-N 3.02Å; M233-K237 VanDerWaalsContact O-N 3.09Å; Q234-K237 WeakPolarHBondContact O-CB 3.48Å; Q234-K237 PolarHBondContact O-N 2.95Å; L235-K237 VanDerWaalsContact C-N 3.35Å; L235-K237 PolarHBondContact O-N 2.88Å; K237-S241 WeakPolarHBondContact O-CB 3.17Å; K237-S241 PolarHBondContact O-N 3.49Å; K237-S241 VanDerWaalsContact O-N 3.11Å; K237-S241 PolarHBondContact O-OG 3.31Å; K237-L377 PolarHBondContact NZ-O 2.76Å; K237-M379 HydrophobicContact CB-CE 3.95Å; K237-M379 HydrophobicContact CB-SD 3.84Å; K237-M379 HydrophobicContact CD-SD 3.86Å; K237-M379 HydrophobicContact CG-SD 4.09Å
238I98.6Very high95.7Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-61.5-51176.7-73.1163000110V207 F214 L216 Q234 L235 E236 N240 S241 S242 P380V207-I238 HydrophobicContact CB-CD1 3.96Å; V207-I238 HydrophobicContact CB-CG2 4.39Å; V207-I238 HydrophobicContact CG1-CD1 4.32Å; V207-I238 HydrophobicContact CG1-CG2 3.97Å; V207-I238 HydrophobicContact CG2-CD1 3.88Å; F214-I238 HydrophobicContact CB-CD1 4.14Å; F214-I238 HydrophobicContact CB-CG1 4.05Å; F214-I238 HydrophobicContact CB-CG2 4.38Å; F214-I238 HydrophobicContact CD1-CG1 4.12Å; F214-I238 HydrophobicContact CD1-CG2 4.42Å; F214-I238 HydrophobicContact CD2-CG2 3.57Å; F214-I238 HydrophobicContact CE2-CG2 3.85Å; F214-I238 HydrophobicContact CG-CB 4.47Å; F214-I238 HydrophobicContact CG-CG1 4.01Å; F214-I238 HydrophobicContact CG-CG2 3.88Å; F214-I238 HydrophobicContact CZ-CG2 4.39Å; L216-I238 HydrophobicContact CB-CD1 4.28Å; L216-I238 HydrophobicContact CD2-CD1 4.4Å; Q234-I238 WeakPolarHBondContact O-CG1 3.49Å; Q234-I238 PolarHBondContact O-N 3.37Å; L235-I238 HydrophobicContact CD2-CD1 4.5Å; L235-I238 WeakPolarHBondContact O-CB 3.47Å; L235-I238 PolarHBondContact O-N 3.31Å; E236-I238 VanDerWaalsContact C-N 3.35Å; E236-I238 PolarHBondContact O-N 3.48Å; I238-N240 PolarHBondContact O-N 3.4Å; I238-S241 CarbonylContact O-C 3.6Å; I238-S241 WeakPolarHBondContact O-CB 3.49Å; I238-S241 PolarHBondContact O-N 3.01Å; I238-S242 WeakPolarHBondContact O-CB 3.41Å; I238-S242 PolarHBondContact O-N 2.91Å; I238-S242 PolarHBondContact O-OG 3.25Å; I238-P380 HydrophobicContact CD1-CB 3.79Å; I238-P380 HydrophobicContact CD1-CG 3.94Å; I238-P380 HydrophobicContact CG1-CB 3.57Å; I238-P380 HydrophobicContact CG1-CG 3.77Å
239W97.6Very high95.9Very high26 Ų2646.1 Ų46.110%0.09824%0.237CC..Hα-helixtrans-52.7-54177.7-177.9-79.8000111.9R134 M138 H209 L235 E236 S241 S242 L243 L290 E335R134-W239 HydrophobicContact CG-CD2 4.39Å; R134-W239 HydrophobicContact CG-CZ2 4.43Å; M138-W239 HydrophobicContact CE-CE3 3.85Å; M138-W239 HydrophobicContact CE-CZ3 4.12Å; M138-W239 HydrophobicContact SD-CE3 4.37Å; H209-W239 AromaticContact CD2-CZ3 3.85Å; H209-W239 AromaticContact CE1-CD2 3.56Å; H209-W239 AromaticContact CE1-CE2 3.84Å; H209-W239 AromaticContact CE1-CE3 3.51Å; H209-W239 AromaticContact CE1-CZ3 3.77Å; H209-W239 AromaticContact ND1-CE3 3.99Å; H209-W239 AromaticContact NE2-CD2 3.99Å; H209-W239 AromaticContact NE2-CE3 3.55Å; H209-W239 AromaticContact NE2-CH2 3.56Å; H209-W239 AromaticContact NE2-CZ2 3.99Å; H209-W239 AromaticContact NE2-CZ3 3.32Å; H209-W239 VanDerWaalsContact NE2-CZ3 3.32Å; H209-W239 WeakPolarHBondContact NE2-CZ3 3.36Å; L235-W239 WeakPolarHBondContact O-CB 3.2Å; L235-W239 PolarHBondContact O-N 3.01Å; E236-W239 PolarHBondContact O-N 2.95Å; W239-S241 PolarHBondContact O-N 3.44Å; W239-S242 CarbonylContact O-C 3.52Å; W239-S242 PolarHBondContact O-N 3.2Å; W239-S242 PolarHBondContact O-OG 3.35Å; W239-S242 VanDerWaalsContact O-OG 3.12Å; W239-L243 PolarHBondContact O-N 2.94Å; W239-L290 HydrophobicContact CE3-CD1 4.4Å; W239-E335 HydrophobicContact CH2-CG 3.87Å; W239-E335 WeakPolarHBondContact CH2-OE1 3.49Å; W239-E335 HydrophobicContact CZ3-CG 4.42Å
240N97.5Very high96.2Very high88 Ų8844.3 Ų44.347%0.47123%0.227SC..Hα-helixtrans-62.5-26.4-179.6-68.6-29.7000112.6R134 E236 I238 S242R134-N240 PolarHBondContact NH1-OD1 3.24Å; E236-N240 WeakPolarHBondContact O-CB 3.33Å; E236-N240 VanDerWaalsContact O-CG 3.27Å; E236-N240 PolarHBondContact O-N 3.42Å; E236-N240 PolarHBondContact O-ND2 3.05Å; E236-N240 VanDerWaalsContact O-ND2 3.15Å; I238-N240 PolarHBondContact O-N 3.4Å; N240-S242 VanDerWaalsContact C-N 3.27Å; N240-S242 PolarHBondContact O-N 3.38Å
241S97.8Very high96.4Very high43 Ų4343.6 Ų43.630%0.30122%0.224SC..THydrogen-bonded Turntrans-84.51.5177.1-57.30000114.2Q212 K237 I238 W239 M379 K382Q212-S241 PolarHBondContact NE2-O 2.89Å; K237-S241 WeakPolarHBondContact O-CB 3.17Å; K237-S241 PolarHBondContact O-N 3.49Å; K237-S241 VanDerWaalsContact O-N 3.11Å; K237-S241 PolarHBondContact O-OG 3.31Å; I238-S241 CarbonylContact O-C 3.6Å; I238-S241 WeakPolarHBondContact O-CB 3.49Å; I238-S241 PolarHBondContact O-N 3.01Å; W239-S241 PolarHBondContact O-N 3.44Å; S241-M379 WeakPolarHBondContact OG-CE 3.42Å; S241-K382 PolarHBondContact O-NZ 2.93Å
242S97.7Very high96.5Very high1 Ų143.7 Ų43.71%0.00722%0.224CC..THydrogen-bonded Turntrans-140.725.6-170.753.50000114.8H209 N210 I238 W239 N240 Q244H209-S242 PolarHBondContact ND1-OG 3.03Å; N210-S242 WeakPolarHBondContact CB-O 3.34Å; N210-S242 PolarHBondContact ND2-O 3.25Å; I238-S242 WeakPolarHBondContact O-CB 3.41Å; I238-S242 PolarHBondContact O-N 2.91Å; I238-S242 PolarHBondContact O-OG 3.25Å; W239-S242 CarbonylContact O-C 3.52Å; W239-S242 PolarHBondContact O-N 3.2Å; W239-S242 PolarHBondContact O-OG 3.35Å; W239-S242 VanDerWaalsContact O-OG 3.12Å; N240-S242 VanDerWaalsContact C-N 3.27Å; N240-S242 PolarHBondContact O-N 3.38Å; S242-Q244 PolarHBondContact O-N 3.07Å
243L96.3Very high96.6Very high105 Ų10543.4 Ų43.455%0.5522%0.222SC..  trans-66.5-20.8175.8-58.4178000113.8W239 T245W239-L243 PolarHBondContact O-N 2.94Å; L243-T245 PolarHBondContact O-N 3.39Å
244Q92.6Very high96.8Very high109 Ų10940.9 Ų40.951%0.50921%0.21SC..  trans-75.9122.2179.2-68.9-180-4.600111S242S242-Q244 PolarHBondContact O-N 3.07Å
245T90.3Very high96.9Very high97 Ų9740.5 Ų40.560%0.59521%0.208SC*.  trans-93.43.5178.255.10000113.7N210 L243N210-T245 HydrophobicContact CB-CG2 4.48Å; L243-T245 PolarHBondContact O-N 3.39Å
246N90.5Very high96.8Very high119 Ų11941.1 Ų41.164%0.63621%0.211SC*.  trans-94.114.3-175.272.3-16000114.3
247K94Very high96.9Very high82 Ų8241.5 Ų41.536%0.35721%0.212SC..SBendtrans-80.6149.8176.5-62.1-49.4178.7-163.30111.2Q212Q212-K247 HydrophobicContact CG-CB 4.24Å; Q212-K247 HydrophobicContact CG-CG 3.82Å
248E97.4Very high96.9Very high61 Ų6138.8 Ų38.829%0.28520%0.201SC..  trans-65.8130.5174.4-67.8-60.3161.900110.6I250 I387 K392 I395 K399E248-I250 PolarHBondContact O-N 2.88Å; E248-I387 HydrophobicContact CB-CD1 4.39Å; E248-I387 HydrophobicContact CB-CG1 4.27Å; E248-I387 HydrophobicContact CG-CG1 4.27Å; E248-I387 HydrophobicContact CG-CG2 4.4Å; E248-K392 HydrophobicContact CG-CD 4.44Å; E248-K392 WeakPolarHBondContact OE1-CE 3.41Å; E248-K392 IonicContact OE1-NZ 3.56Å; E248-K392 PolarHBondContact OE1-NZ 3.42Å; E248-K392 IonicContact OE2-NZ 3.79Å; E248-K392 PolarHBondContact OE2-NZ 3.45Å; E248-I395 HydrophobicContact CB-CD1 4.05Å; E248-K399 IonicContact OE2-NZ 2.78Å
249P98Very high96.9Very high8 Ų841.5 Ų41.55%0.05222%0.215CC..  trans-79.470.2-175.831.9-35.6000111.5F211 G251 I252 I395F211-P249 HydrophobicContact CB-CB 4.2Å; F211-P249 HydrophobicContact CD1-CB 4.24Å; F211-P249 HydrophobicContact CD2-CB 3.9Å; F211-P249 HydrophobicContact CE2-CB 4.32Å; F211-P249 HydrophobicContact CG-CB 3.84Å; P249-G251 PolarHBondContact O-N 2.73Å; P249-G251 VanDerWaalsContact O-N 3.09Å; P249-I252 HydrophobicContact CB-CB 4.48Å; P249-I252 HydrophobicContact CB-CG2 4.47Å; P249-I252 HydrophobicContact CG-CG2 4.26Å; P249-I252 WeakPolarHBondContact O-CB 3.36Å; P249-I252 WeakPolarHBondContact O-CG2 3.5Å; P249-I252 PolarHBondContact O-N 3.45Å; P249-I395 HydrophobicContact CG-CG2 4.08Å
250I98.3Very high96.9Very high3 Ų343 Ų432%0.01523%0.227CC..G310 helixtrans-55.7-32.9-174.6-165.467.2000113.1F213 E248 I252 L253 L268 F385 I387 I391 I395F213-I250 HydrophobicContact CD2-CG2 4.27Å; F213-I250 HydrophobicContact CE2-CG2 3.94Å; E248-I250 PolarHBondContact O-N 2.88Å; I250-I252 PolarHBondContact O-N 3.07Å; I250-L253 HydrophobicContact CD1-CD1 3.53Å; I250-L253 HydrophobicContact CD1-CG 4.49Å; I250-L253 HydrophobicContact CG1-CD1 4.27Å; I250-L253 WeakPolarHBondContact O-CB 3.26Å; I250-L253 WeakPolarHBondContact O-CG 3.42Å; I250-L253 PolarHBondContact O-N 2.99Å; I250-L268 HydrophobicContact CD1-CD1 3.83Å; I250-L268 HydrophobicContact CD1-CD2 4.41Å; I250-L268 HydrophobicContact CG1-CD1 4.35Å; I250-L268 HydrophobicContact CG1-CD2 4.37Å; I250-F385 HydrophobicContact CB-CD2 4.46Å; I250-F385 HydrophobicContact CB-CG 4.39Å; I250-F385 HydrophobicContact CG1-CB 4.48Å; I250-F385 HydrophobicContact CG1-CD1 3.87Å; I250-F385 HydrophobicContact CG1-CD2 4.48Å; I250-F385 HydrophobicContact CG1-CE1 4.14Å; I250-F385 HydrophobicContact CG1-CG 4.03Å; I250-F385 HydrophobicContact CG2-CD1 4.49Å; I250-F385 HydrophobicContact CG2-CD2 3.7Å; I250-F385 HydrophobicContact CG2-CE1 4.48Å; I250-F385 HydrophobicContact CG2-CE2 3.71Å; I250-F385 HydrophobicContact CG2-CG 4.09Å; I250-F385 HydrophobicContact CG2-CZ 4.1Å; I250-I387 HydrophobicContact CD1-CD1 4.09Å; I250-I391 HydrophobicContact CD1-CG2 3.77Å; I250-I395 HydrophobicContact CD1-CD1 3.85Å; I250-I395 HydrophobicContact CD1-CG1 4.36Å
251G98.7Very high97Very high0 Ų038.8 Ų38.80%021%0.205CC..G310 helixtrans-61-24.7177.700000114P249 L253 T254 R323P249-G251 PolarHBondContact O-N 2.73Å; P249-G251 VanDerWaalsContact O-N 3.09Å; G251-L253 PolarHBondContact O-N 3.39Å; G251-T254 PolarHBondContact O-N 2.9Å; G251-T254 VanDerWaalsContact O-N 3.16Å; G251-T254 PolarHBondContact O-OG1 3.4Å; G251-R323 CarbonylContact C-O 3.45Å; G251-R323 WeakPolarHBondContact CA-O 3.49Å
252I98.8Very high97Very high1 Ų136.8 Ų36.81%0.00519%0.191CC..G310 helixtrans-66.3-20.9179.1-151.5170.6000112.7P249 I250 T254 S255 T316 I395 A398 K399 M402P249-I252 HydrophobicContact CB-CB 4.48Å; P249-I252 HydrophobicContact CB-CG2 4.47Å; P249-I252 HydrophobicContact CG-CG2 4.26Å; P249-I252 WeakPolarHBondContact O-CB 3.36Å; P249-I252 WeakPolarHBondContact O-CG2 3.5Å; P249-I252 PolarHBondContact O-N 3.45Å; I250-I252 PolarHBondContact O-N 3.07Å; I252-T254 PolarHBondContact O-N 3.48Å; I252-S255 PolarHBondContact O-N 3.41Å; I252-S255 VanDerWaalsContact O-N 3.1Å; I252-S255 PolarHBondContact O-OG 3.5Å; I252-T316 HydrophobicContact CD1-CG2 3.6Å; I252-I395 HydrophobicContact CG2-CG2 4.16Å; I252-A398 HydrophobicContact CG2-CB 3.8Å; I252-K399 HydrophobicContact CD1-CB 4.5Å; I252-K399 HydrophobicContact CD1-CG 3.89Å; I252-K399 HydrophobicContact CG2-CG 4.38Å; I252-M402 HydrophobicContact CD1-CB 4.11Å; I252-M402 HydrophobicContact CD1-CG 4.3Å; I252-M402 HydrophobicContact CG1-CB 4.35Å
253L98.9Very high97Very high3 Ų344.2 Ų44.22%0.01622%0.223CC..G310 helixtrans-58.4-30.3175.2-67.8176.3000112.2I250 G251 S255 Q256 W261 L268 D394 I395 A398I250-L253 HydrophobicContact CD1-CD1 3.53Å; I250-L253 HydrophobicContact CD1-CG 4.49Å; I250-L253 HydrophobicContact CG1-CD1 4.27Å; I250-L253 WeakPolarHBondContact O-CB 3.26Å; I250-L253 WeakPolarHBondContact O-CG 3.42Å; I250-L253 PolarHBondContact O-N 2.99Å; G251-L253 PolarHBondContact O-N 3.39Å; L253-S255 PolarHBondContact O-N 2.95Å; L253-Q256 WeakPolarHBondContact O-CB 3.47Å; L253-Q256 PolarHBondContact O-N 3.41Å; L253-W261 HydrophobicContact CB-CE3 3.68Å; L253-W261 HydrophobicContact CB-CH2 4.15Å; L253-W261 HydrophobicContact CB-CZ3 3.47Å; L253-W261 VanDerWaalsContact CB-CZ3 3.47Å; L253-W261 HydrophobicContact CD1-CZ3 3.97Å; L253-W261 HydrophobicContact CG-CZ3 4.32Å; L253-L268 HydrophobicContact CD1-CD2 4.47Å; L253-D394 VanDerWaalsContact CD2-C 3.43Å; L253-D394 HydrophobicContact CD2-CB 3.75Å; L253-D394 WeakPolarHBondContact CD2-O 3.49Å; L253-I395 HydrophobicContact CD1-CG1 4.15Å; L253-I395 HydrophobicContact CD2-CB 4.47Å; L253-I395 HydrophobicContact CD2-CG1 3.87Å; L253-I395 HydrophobicContact CG-CG1 3.93Å; L253-A398 HydrophobicContact CD2-CB 4.04Å
254T98.9Very high97.1Very high0 Ų039.5 Ų39.50%020%0.199CC..G310 helixtrans-73.8-11.2-178.6700000113.2G251 I252 Q256 R258 W261 W324 F325G251-T254 PolarHBondContact O-N 2.9Å; G251-T254 VanDerWaalsContact O-N 3.16Å; G251-T254 PolarHBondContact O-OG1 3.4Å; I252-T254 PolarHBondContact O-N 3.48Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; T254-R258 PolarHBondContact O-NH1 3.15Å; T254-W261 HydrophobicContact CG2-CH2 4.41Å; T254-W261 HydrophobicContact CG2-CZ2 3.71Å; T254-W324 HydrophobicContact CG2-CD2 3.6Å; T254-W324 HydrophobicContact CG2-CE3 3.78Å; T254-W324 HydrophobicContact CG2-CG 4.08Å; T254-W324 HydrophobicContact CG2-CH2 4.11Å; T254-W324 HydrophobicContact CG2-CZ2 3.95Å; T254-W324 HydrophobicContact CG2-CZ3 4.03Å; T254-F325 WeakPolarHBondContact OG1-CB 3.4Å; T254-F325 WeakPolarHBondContact OG1-CD2 3.44Å; T254-F325 PolarHBondContact OG1-N 3.11Å
255S98.6Very high97.4Very high0 Ų035.3 Ų35.30%018%0.179CC..G310 helixtrans-90.35.1176.480.70000113.4P115 I252 L253 M402 M405P115-S255 WeakPolarHBondContact CB-O 3.32Å; I252-S255 PolarHBondContact O-N 3.41Å; I252-S255 VanDerWaalsContact O-N 3.1Å; I252-S255 PolarHBondContact O-OG 3.5Å; L253-S255 PolarHBondContact O-N 2.95Å; S255-M402 WeakPolarHBondContact OG-CE 3.47Å; S255-M405 WeakPolarHBondContact O-CE 3.38Å
256Q98.3Very high97.8Very high14 Ų1434.3 Ų34.37%0.06517%0.17CC..SBendtrans-78.3164.9178.3-92.1-74-8.700112.2L253 T254 R258 T260 W261 K397 A398L253-Q256 WeakPolarHBondContact O-CB 3.47Å; L253-Q256 PolarHBondContact O-N 3.41Å; T254-Q256 VanDerWaalsContact C-N 3.33Å; Q256-R258 PolarHBondContact O-N 3.41Å; Q256-T260 HydrophobicContact CB-CG2 4.48Å; Q256-T260 HydrophobicContact CG-CG2 4.35Å; Q256-W261 HydrophobicContact CB-CB 4.07Å; Q256-K397 PolarHBondContact NE2-O 3.29Å; Q256-A398 HydrophobicContact CG-CB 3.64Å
257H98.5Very high98.2Very high55 Ų5529.5 Ų29.526%0.25514%0.144SC..  trans-53.2137166.8177.6-88.6000109.3R113 P115 N259 T260 W261R113-H257 WeakPolarHBondContact CB-NE2 3.49Å; R113-H257 PolarHBondContact O-CD2 2.9Å; R113-H257 PolarHBondContact O-NE2 2.91Å; R113-H257 VanDerWaalsContact O-NE2 3.11Å; P115-H257 HydrophobicContact CG-CB 4.39Å; H257-N259 VanDerWaalsContact C-N 3.26Å; H257-N259 PolarHBondContact ND1-N 3.24Å; H257-N259 PolarHBondContact O-N 2.8Å; H257-N259 VanDerWaalsContact O-N 3.13Å; H257-T260 WeakPolarHBondContact O-CA 3.48Å; H257-T260 WeakPolarHBondContact O-CB 3.5Å; H257-T260 PolarHBondContact O-N 3.34Å; H257-W261 PolarHBondContact O-N 2.85Å
258R98.6Very high98.4Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-63-30.7-164.8-53.3-51.3-64.9176-3.2113.2R113 M114 D190 T254 Q256 G262 D326R113-R258 PolarHBondContact NH2-O 2.98Å; R113-R258 WeakPolarHBondContact O-CG 3.48Å; R113-R258 PolarHBondContact O-N 3.25Å; M114-R258 VanDerWaalsContact O-CG 3.25Å; M114-R258 WeakPolarHBondContact O-CG 3.33Å; D190-R258 IonicContact OD2-CZ 3.78Å; D190-R258 VanDerWaalsContact OD2-CZ 3.28Å; D190-R258 IonicContact OD2-NE 3.35Å; D190-R258 PolarHBondContact OD2-NE 3.36Å; D190-R258 IonicContact OD2-NH2 2.97Å; D190-R258 PolarHBondContact OD2-NH2 3.12Å; T254-R258 PolarHBondContact O-NH1 3.15Å; Q256-R258 PolarHBondContact O-N 3.41Å; R258-G262 PolarHBondContact O-N 3.01Å; R258-D326 IonicContact CZ-OD1 3.87Å; R258-D326 VanDerWaalsContact CZ-OD1 3.22Å; R258-D326 IonicContact NH1-OD1 3.47Å; R258-D326 PolarHBondContact NH1-OD1 2.86Å; R258-D326 IonicContact NH2-OD1 3.78Å; R258-D326 PolarHBondContact NH2-OD1 2.87Å
259N97.9Very high98.4Very high57 Ų5724.4 Ų24.431%0.30512%0.122SC..Hα-helixtrans-67.9-38.8172.7-68-15.5000112.6R113 P187 H257 K263R113-N259 VanDerWaalsContact CZ-OD1 3.29Å; R113-N259 PolarHBondContact NE-OD1 3.02Å; R113-N259 PolarHBondContact NH2-OD1 3.04Å; P187-N259 PolarHBondContact O-OD1 3.34Å; H257-N259 VanDerWaalsContact C-N 3.26Å; H257-N259 PolarHBondContact ND1-N 3.24Å; H257-N259 PolarHBondContact O-N 2.8Å; H257-N259 VanDerWaalsContact O-N 3.13Å; N259-K263 WeakPolarHBondContact O-CG 3.43Å; N259-K263 PolarHBondContact O-N 3.4Å
260T98.2Very high98.5Very high57 Ų5731.4 Ų31.435%0.3515%0.152SC..Hα-helixtrans-70.3-46.3178.3-55.10000109.5Q256 H257 K263 A264Q256-T260 HydrophobicContact CB-CG2 4.48Å; Q256-T260 HydrophobicContact CG-CG2 4.35Å; H257-T260 WeakPolarHBondContact O-CA 3.48Å; H257-T260 WeakPolarHBondContact O-CB 3.5Å; H257-T260 PolarHBondContact O-N 3.34Å; T260-K263 PolarHBondContact O-N 2.92Å; T260-A264 PolarHBondContact O-N 2.7Å
261W98.6Very high98.5Very high0 Ų033.8 Ų33.80%017%0.165CC..Hα-helixtrans-62.3-43.5175.6177.7-144.3000111.9P185 L253 T254 Q256 H257 K263 A264 Y265 L268 W324 D326P185-W261 VanDerWaalsContact CB-CD1 3.48Å; P185-W261 HydrophobicContact CB-CG 4.05Å; P185-W261 HydrophobicContact CG-CD2 4.28Å; P185-W261 HydrophobicContact CG-CG 4.26Å; P185-W261 HydrophobicContact CG-CZ2 4.27Å; L253-W261 HydrophobicContact CB-CE3 3.68Å; L253-W261 HydrophobicContact CB-CH2 4.15Å; L253-W261 HydrophobicContact CB-CZ3 3.47Å; L253-W261 VanDerWaalsContact CB-CZ3 3.47Å; L253-W261 HydrophobicContact CD1-CZ3 3.97Å; L253-W261 HydrophobicContact CG-CZ3 4.32Å; T254-W261 HydrophobicContact CG2-CH2 4.41Å; T254-W261 HydrophobicContact CG2-CZ2 3.71Å; Q256-W261 HydrophobicContact CB-CB 4.07Å; H257-W261 PolarHBondContact O-N 2.85Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 2.86Å; W261-A264 HydrophobicContact CE3-CB 3.97Å; W261-A264 HydrophobicContact CZ3-CB 4.24Å; W261-A264 PolarHBondContact O-N 2.72Å; W261-Y265 AromaticContact CH2-CD2 3.72Å; W261-Y265 HydrophobicContact CH2-CD2 3.72Å; W261-Y265 HydrophobicContact CH2-CG 4.28Å; W261-Y265 AromaticContact CZ2-CD2 3.58Å; W261-Y265 HydrophobicContact CZ2-CD2 3.58Å; W261-Y265 HydrophobicContact CZ2-CG 4.23Å; W261-Y265 WeakPolarHBondContact O-CB 3.49Å; W261-Y265 PolarHBondContact O-N 3.19Å; W261-L268 HydrophobicContact CH2-CD2 3.99Å; W261-L268 HydrophobicContact CZ3-CD2 4.42Å; W261-W324 HydrophobicContact CH2-CH2 4.02Å; W261-W324 HydrophobicContact CH2-CZ2 4.39Å; W261-W324 HydrophobicContact CZ2-CH2 4.03Å; W261-W324 AromaticContact CZ2-CZ2 3.95Å; W261-W324 HydrophobicContact CZ2-CZ2 3.95Å; W261-D326 PolarHBondContact NE1-OD2 3.42Å
262G98.3Very high98.5Very high0 Ų042.8 Ų42.80%020%0.199CC..Hα-helixtrans-57.5-37176.200000113.8R258 N266R258-G262 PolarHBondContact O-N 3.01Å; G262-N266 WeakPolarHBondContact O-CB 3.34Å; G262-N266 VanDerWaalsContact O-CG 3.28Å; G262-N266 PolarHBondContact O-N 3.14Å; G262-N266 PolarHBondContact O-ND2 2.84Å; G262-N266 VanDerWaalsContact O-ND2 3.15Å
263K98.2Very high98.4Very high158 Ų15844.9 Ų44.969%0.68721%0.212SC*.Hα-helixtrans-69.4-49.8173.9-69.4174-176.8179.40111.8N259 T260 W261 Y265 N266 N267N259-K263 WeakPolarHBondContact O-CG 3.43Å; N259-K263 PolarHBondContact O-N 3.4Å; T260-K263 PolarHBondContact O-N 2.92Å; W261-K263 VanDerWaalsContact C-N 3.27Å; W261-K263 PolarHBondContact O-N 2.86Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.21Å; K263-N266 PolarHBondContact O-N 2.97Å; K263-N267 PolarHBondContact O-N 2.93Å; K263-N267 VanDerWaalsContact O-N 3.13Å
264A98.4Very high98.4Very high6 Ų644.8 Ų44.85%0.0521%0.211CC..Hα-helixtrans-63.8-37.8179.500000112.2T260 W261 N267 L268 D394T260-A264 PolarHBondContact O-N 2.7Å; W261-A264 HydrophobicContact CE3-CB 3.97Å; W261-A264 HydrophobicContact CZ3-CB 4.24Å; W261-A264 PolarHBondContact O-N 2.72Å; A264-N267 PolarHBondContact O-N 3.25Å; A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 3.14Å; A264-D394 HydrophobicContact CB-CB 4.04Å
265Y98.7Very high98.4Very high21 Ų2150.6 Ų50.68%0.08224%0.236CC..Hα-helixtrans-59.1-51.8173.8175.3-99.2000111.4I184 P185 W261 K263 N267 L268 I269 V278 Q282I184-Y265 HydrophobicContact CG2-CE1 4.22Å; P185-Y265 HydrophobicContact CG-CD1 3.76Å; P185-Y265 HydrophobicContact CG-CD2 3.72Å; P185-Y265 HydrophobicContact CG-CE1 4.41Å; P185-Y265 HydrophobicContact CG-CE2 4.37Å; P185-Y265 HydrophobicContact CG-CG 3.37Å; W261-Y265 AromaticContact CH2-CD2 3.72Å; W261-Y265 HydrophobicContact CH2-CD2 3.72Å; W261-Y265 HydrophobicContact CH2-CG 4.28Å; W261-Y265 AromaticContact CZ2-CD2 3.58Å; W261-Y265 HydrophobicContact CZ2-CD2 3.58Å; W261-Y265 HydrophobicContact CZ2-CG 4.23Å; W261-Y265 WeakPolarHBondContact O-CB 3.49Å; W261-Y265 PolarHBondContact O-N 3.19Å; K263-Y265 VanDerWaalsContact C-N 3.33Å; K263-Y265 PolarHBondContact O-N 3.21Å; Y265-N267 PolarHBondContact O-N 3.41Å; Y265-L268 WeakPolarHBondContact O-CB 3.49Å; Y265-L268 PolarHBondContact O-N 2.83Å; Y265-L268 VanDerWaalsContact O-N 3.11Å; Y265-I269 HydrophobicContact CD1-CD1 4.26Å; Y265-I269 HydrophobicContact CD2-CG2 4.35Å; Y265-I269 HydrophobicContact CE1-CD1 3.68Å; Y265-I269 HydrophobicContact CE1-CG2 4.42Å; Y265-I269 HydrophobicContact CE2-CG2 3.96Å; Y265-I269 WeakPolarHBondContact O-CG1 3.25Å; Y265-I269 PolarHBondContact O-N 3.47Å; Y265-V278 HydrophobicContact CE2-CG1 3.64Å; Y265-Q282 PolarHBondContact OH-NE2 2.8Å
266N98.3Very high98.4Very high76 Ų7655.9 Ų55.941%0.40626%0.261SS..Hα-helixtrans-59.2-33.3178-77.7-27000112.1G262 K263 K270G262-N266 WeakPolarHBondContact O-CB 3.34Å; G262-N266 VanDerWaalsContact O-CG 3.28Å; G262-N266 PolarHBondContact O-N 3.14Å; G262-N266 PolarHBondContact O-ND2 2.84Å; G262-N266 VanDerWaalsContact O-ND2 3.15Å; K263-N266 PolarHBondContact O-N 2.97Å; N266-K270 WeakPolarHBondContact O-CG 3.4Å
267N98.1Very high98.5Very high17 Ų1755.4 Ų55.49%0.09126%0.259CS..Hα-helixtrans-73.5-45.2174-164.145.3000112.4K263 A264 Y265 I269 K270 E390K263-N267 PolarHBondContact O-N 2.93Å; K263-N267 VanDerWaalsContact O-N 3.13Å; A264-N267 PolarHBondContact O-N 3.25Å; Y265-N267 PolarHBondContact O-N 3.41Å; N267-I269 VanDerWaalsContact C-N 3.3Å; N267-I269 PolarHBondContact O-N 2.87Å; N267-K270 WeakPolarHBondContact O-CB 3.45Å; N267-K270 PolarHBondContact O-N 3.34Å; N267-K270 VanDerWaalsContact O-N 3.17Å; N267-K270 WeakPolarHBondContact OD1-CD 3.39Å; N267-K270 WeakPolarHBondContact OD1-CE 3.45Å; N267-K270 PolarHBondContact OD1-NZ 2.97Å; N267-E390 WeakPolarHBondContact ND2-CG 3.35Å; N267-E390 PolarHBondContact ND2-OE2 2.84Å; N267-E390 PolarHBondContact OD1-OE2 3.21Å
268L98.6Very high98.5Very high0 Ų052.9 Ų52.90%025%0.248CC..Hα-helixtrans-54.4-45.5-179.6179.762.5000111.6I250 L253 W261 A264 Y265 K270 N274 V278 W324 F385 I391I250-L268 HydrophobicContact CD1-CD1 3.83Å; I250-L268 HydrophobicContact CD1-CD2 4.41Å; I250-L268 HydrophobicContact CG1-CD1 4.35Å; I250-L268 HydrophobicContact CG1-CD2 4.37Å; L253-L268 HydrophobicContact CD1-CD2 4.47Å; W261-L268 HydrophobicContact CH2-CD2 3.99Å; W261-L268 HydrophobicContact CZ3-CD2 4.42Å; A264-L268 WeakPolarHBondContact O-CB 3.41Å; A264-L268 PolarHBondContact O-N 3.14Å; Y265-L268 WeakPolarHBondContact O-CB 3.49Å; Y265-L268 PolarHBondContact O-N 2.83Å; Y265-L268 VanDerWaalsContact O-N 3.11Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.2Å; L268-N274 HydrophobicContact CD1-CB 4.1Å; L268-N274 HydrophobicContact CG-CB 4.36Å; L268-N274 WeakPolarHBondContact O-CB 3.25Å; L268-N274 PolarHBondContact O-ND2 3.25Å; L268-V278 HydrophobicContact CD2-CG2 3.88Å; L268-V278 HydrophobicContact CG-CG2 4.37Å; L268-W324 HydrophobicContact CD2-CH2 4.38Å; L268-F385 HydrophobicContact CD1-CD1 4.12Å; L268-F385 HydrophobicContact CD2-CE1 4.43Å; L268-I391 HydrophobicContact CD1-CD1 3.91Å; L268-I391 HydrophobicContact CD1-CG1 4.48Å; L268-I391 HydrophobicContact CD1-CG2 4.4Å
269I98.4Very high98.5Very high37 Ų3759.8 Ų59.819%0.1927%0.274CS..THydrogen-bonded Turntrans-82.34.8-175.669.4169.7000114.7Y265 N267 D271 K275 V278Y265-I269 HydrophobicContact CD1-CD1 4.26Å; Y265-I269 HydrophobicContact CD2-CG2 4.35Å; Y265-I269 HydrophobicContact CE1-CD1 3.68Å; Y265-I269 HydrophobicContact CE1-CG2 4.42Å; Y265-I269 HydrophobicContact CE2-CG2 3.96Å; Y265-I269 WeakPolarHBondContact O-CG1 3.25Å; Y265-I269 PolarHBondContact O-N 3.47Å; N267-I269 VanDerWaalsContact C-N 3.3Å; N267-I269 PolarHBondContact O-N 2.87Å; I269-D271 VanDerWaalsContact C-N 3.34Å; I269-K275 HydrophobicContact CB-CB 4.17Å; I269-K275 HydrophobicContact CB-CG 4.23Å; I269-V278 HydrophobicContact CG2-CB 4.29Å; I269-V278 HydrophobicContact CG2-CG1 4.17Å; I269-V278 HydrophobicContact CG2-CG2 4.2Å
270K98.4Very high98.5Very high154 Ų15458 Ų5867%0.6727%0.266SS*.THydrogen-bonded Turntrans-68.6-36.2171.7-69176.2-173.8162.20111.5N266 N267 L268N266-K270 WeakPolarHBondContact O-CG 3.4Å; N267-K270 WeakPolarHBondContact O-CB 3.45Å; N267-K270 PolarHBondContact O-N 3.34Å; N267-K270 VanDerWaalsContact O-N 3.17Å; N267-K270 WeakPolarHBondContact OD1-CD 3.39Å; N267-K270 WeakPolarHBondContact OD1-CE 3.45Å; N267-K270 PolarHBondContact OD1-NZ 2.97Å; L268-K270 VanDerWaalsContact C-N 3.28Å; L268-K270 PolarHBondContact O-N 3.2Å
271D98.6Very high98.5Very high54 Ų5455.2 Ų55.229%0.28925%0.25SC..SBendtrans-75.2134173.3175.1-83.2000110.1I269 T273 N274 K275 N386I269-D271 VanDerWaalsContact C-N 3.34Å; D271-T273 PolarHBondContact O-N 3.28Å; D271-T273 WeakPolarHBondContact OD1-CA 3.43Å; D271-T273 VanDerWaalsContact OD1-CB 3.23Å; D271-T273 WeakPolarHBondContact OD1-CB 3.43Å; D271-T273 PolarHBondContact OD1-N 3.11Å; D271-N274 HydrophobicContact CB-CB 4.04Å; D271-N274 PolarHBondContact O-N 2.98Å; D271-N274 PolarHBondContact OD1-N 3.24Å; D271-K275 WeakPolarHBondContact O-CB 3.45Å; D271-K275 PolarHBondContact O-N 3.2Å; D271-N386 PolarHBondContact OD1-ND2 2.7Å; D271-N386 PolarHBondContact OD2-ND2 3.3Å
272R98.4Very high98.5Very high189 Ų18955.7 Ų55.771%0.71325%0.252SS*.Hα-helixtrans-61.8-44.5-176.1-174.7-179.969.1175.61112.3K275 E276R272-K275 PolarHBondContact O-N 3Å; R272-E276 WeakPolarHBondContact CG-OE1 3.17Å; R272-E276 WeakPolarHBondContact O-CG 3.32Å; R272-E276 PolarHBondContact O-N 2.92Å
273T98.6Very high98.5Very high45 Ų4559 Ų5928%0.27627%0.266SS..Hα-helixtrans-65.6-42.5-178.9-50.90000111D271 E276 S277 R384D271-T273 PolarHBondContact O-N 3.28Å; D271-T273 WeakPolarHBondContact OD1-CA 3.43Å; D271-T273 VanDerWaalsContact OD1-CB 3.23Å; D271-T273 WeakPolarHBondContact OD1-CB 3.43Å; D271-T273 PolarHBondContact OD1-N 3.11Å; T273-E276 PolarHBondContact O-N 2.72Å; T273-S277 WeakPolarHBondContact O-CB 3.29Å; T273-S277 PolarHBondContact O-N 2.83Å; T273-S277 PolarHBondContact O-OG 2.82Å; T273-S277 VanDerWaalsContact O-OG 3.13Å; T273-R384 HydrophobicContact CG2-CB 4.16Å
274N98.8Very high98.5Very high0 Ų051.5 Ų51.50%023%0.233CC..Hα-helixtrans-62.4-46.5175.1-68.2-7.8000111.1L268 D271 E276 S277 V278 F385 N386L268-N274 HydrophobicContact CD1-CB 4.1Å; L268-N274 HydrophobicContact CG-CB 4.36Å; L268-N274 WeakPolarHBondContact O-CB 3.25Å; L268-N274 PolarHBondContact O-ND2 3.25Å; D271-N274 HydrophobicContact CB-CB 4.04Å; D271-N274 PolarHBondContact O-N 2.98Å; D271-N274 PolarHBondContact OD1-N 3.24Å; N274-E276 VanDerWaalsContact C-N 3.34Å; N274-E276 PolarHBondContact O-N 2.72Å; N274-S277 PolarHBondContact O-N 2.96Å; N274-V278 WeakPolarHBondContact O-CB 3.27Å; N274-V278 VanDerWaalsContact O-CG2 3.32Å; N274-V278 WeakPolarHBondContact O-CG2 3.35Å; N274-V278 PolarHBondContact O-N 2.78Å; N274-F385 HydrophobicContact CB-CD1 4.3Å; N274-F385 WeakPolarHBondContact OD1-CA 3.32Å; N274-N386 PolarHBondContact ND2-O 3.3Å; N274-N386 PolarHBondContact OD1-N 3.4Å
275K98.8Very high98.6Very high122 Ų12251.2 Ų51.253%0.5323%0.231SC..Hα-helixtrans-59.5-43.6178.3-174.9175.9-178.11750112.1I269 D271 R272 R279I269-K275 HydrophobicContact CB-CB 4.17Å; I269-K275 HydrophobicContact CB-CG 4.23Å; D271-K275 WeakPolarHBondContact O-CB 3.45Å; D271-K275 PolarHBondContact O-N 3.2Å; R272-K275 PolarHBondContact O-N 3Å; K275-R279 VanDerWaalsContact O-CB 3.3Å; K275-R279 WeakPolarHBondContact O-CB 3.14Å; K275-R279 PolarHBondContact O-N 2.72Å
276E98.6Very high98.6Very high111 Ų11150.2 Ų50.252%0.51923%0.227SC..Hα-helixtrans-63-45.4176.2-74.3168.5-173.100111.6R272 T273 N274 R279 A280R272-E276 WeakPolarHBondContact CG-OE1 3.17Å; R272-E276 WeakPolarHBondContact O-CG 3.32Å; R272-E276 PolarHBondContact O-N 2.92Å; T273-E276 PolarHBondContact O-N 2.72Å; N274-E276 VanDerWaalsContact C-N 3.34Å; N274-E276 PolarHBondContact O-N 2.72Å; E276-R279 PolarHBondContact O-N 3.38Å; E276-A280 PolarHBondContact O-N 2.86Å
277S98.9Very high98.6Very high5 Ų546.6 Ų46.64%0.03521%0.208CC..Hα-helixtrans-60.7-47.4175.6-67.70000112.8T273 N274 R279 A280 I281 R384T273-S277 WeakPolarHBondContact O-CB 3.29Å; T273-S277 PolarHBondContact O-N 2.83Å; T273-S277 PolarHBondContact O-OG 2.82Å; T273-S277 VanDerWaalsContact O-OG 3.13Å; N274-S277 PolarHBondContact O-N 2.96Å; S277-R279 VanDerWaalsContact C-N 3.33Å; S277-R279 PolarHBondContact O-N 2.89Å; S277-A280 PolarHBondContact O-N 3.26Å; S277-I281 WeakPolarHBondContact O-CG1 3.44Å; S277-I281 PolarHBondContact O-N 3.24Å; S277-I281 VanDerWaalsContact O-N 3.12Å; S277-R384 PolarHBondContact OG-N 3.11Å; S277-R384 PolarHBondContact OG-O 3.41Å
278V98.9Very high98.6Very high1 Ų145.8 Ų45.81%0.00620%0.204CC..Hα-helixtrans-59.5-45.4175.4168.30000110.7Y265 L268 I269 N274 A280 I281 Q282 W324 F385Y265-V278 HydrophobicContact CE2-CG1 3.64Å; L268-V278 HydrophobicContact CD2-CG2 3.88Å; L268-V278 HydrophobicContact CG-CG2 4.37Å; I269-V278 HydrophobicContact CG2-CB 4.29Å; I269-V278 HydrophobicContact CG2-CG1 4.17Å; I269-V278 HydrophobicContact CG2-CG2 4.2Å; N274-V278 WeakPolarHBondContact O-CB 3.27Å; N274-V278 VanDerWaalsContact O-CG2 3.32Å; N274-V278 WeakPolarHBondContact O-CG2 3.35Å; N274-V278 PolarHBondContact O-N 2.78Å; V278-A280 VanDerWaalsContact C-N 3.29Å; V278-A280 PolarHBondContact O-N 3.02Å; V278-I281 PolarHBondContact O-N 3.02Å; V278-I281 VanDerWaalsContact O-N 3.15Å; V278-Q282 HydrophobicContact CG1-CG 4.16Å; V278-Q282 VanDerWaalsContact O-CG 3.29Å; V278-Q282 WeakPolarHBondContact O-CG 3.44Å; V278-Q282 PolarHBondContact O-N 3.38Å; V278-W324 HydrophobicContact CG1-CZ2 4.23Å; V278-W324 HydrophobicContact CG2-CH2 3.9Å; V278-W324 HydrophobicContact CG2-CZ2 4.4Å; V278-F385 HydrophobicContact CG2-CE1 3.93Å; V278-F385 HydrophobicContact CG2-CZ 4.49Å
279R98.4Very high98.6Very high146 Ų14645.8 Ų45.855%0.55120%0.204SC*.Hα-helixtrans-62.5-37.2179.9-168.6177.9-168.3-176.40.9111.9K275 E276 S277 Q282 K283K275-R279 VanDerWaalsContact O-CB 3.3Å; K275-R279 WeakPolarHBondContact O-CB 3.14Å; K275-R279 PolarHBondContact O-N 2.72Å; E276-R279 PolarHBondContact O-N 3.38Å; S277-R279 VanDerWaalsContact C-N 3.33Å; S277-R279 PolarHBondContact O-N 2.89Å; R279-Q282 PolarHBondContact O-N 3.17Å; R279-K283 HydrophobicContact CG-CD 4.22Å; R279-K283 VanDerWaalsContact O-CB 3.32Å; R279-K283 WeakPolarHBondContact O-CB 3.38Å; R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.29Å
280A98.6Very high98.7Very high18 Ų1844 Ų4415%0.14920%0.195CC..Hα-helixtrans-64.1-40.617500000111.9H204 V215 E276 S277 V278 S284 L383H204-A280 PolarHBondContact NE2-O 3.21Å; V215-A280 HydrophobicContact CG2-CB 3.79Å; E276-A280 PolarHBondContact O-N 2.86Å; S277-A280 PolarHBondContact O-N 3.26Å; V278-A280 VanDerWaalsContact C-N 3.29Å; V278-A280 PolarHBondContact O-N 3.02Å; A280-S284 PolarHBondContact O-N 3.41Å; A280-S284 VanDerWaalsContact O-N 3.15Å; A280-L383 HydrophobicContact CB-CD1 3.9Å; A280-L383 HydrophobicContact CB-CD2 3.92Å
281I98.9Very high98.6Very high0 Ų036.7 Ų36.70%016%0.163CC..Hα-helixtrans-65.6-47.3174.1-61.9163000111.3T206 F213 S277 V278 K283 S284 W324 L383 F385T206-I281 HydrophobicContact CG2-CB 4.4Å; T206-I281 HydrophobicContact CG2-CG1 4.01Å; F213-I281 HydrophobicContact CB-CD1 4.31Å; F213-I281 HydrophobicContact CD1-CD1 3.86Å; F213-I281 HydrophobicContact CD1-CG1 4.11Å; F213-I281 HydrophobicContact CD2-CD1 4.32Å; F213-I281 HydrophobicContact CE1-CD1 4.24Å; F213-I281 HydrophobicContact CG-CD1 3.9Å; F213-I281 HydrophobicContact CG-CG1 4.43Å; S277-I281 WeakPolarHBondContact O-CG1 3.44Å; S277-I281 PolarHBondContact O-N 3.24Å; S277-I281 VanDerWaalsContact O-N 3.12Å; V278-I281 PolarHBondContact O-N 3.02Å; V278-I281 VanDerWaalsContact O-N 3.15Å; I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 3.41Å; I281-S284 PolarHBondContact O-N 3.28Å; I281-S284 PolarHBondContact O-OG 3.19Å; I281-W324 HydrophobicContact CD1-CD2 4.24Å; I281-W324 HydrophobicContact CD1-CE3 3.92Å; I281-W324 HydrophobicContact CD1-CZ3 4.16Å; I281-W324 HydrophobicContact CG2-CB 4Å; I281-W324 HydrophobicContact CG2-CD2 3.78Å; I281-W324 HydrophobicContact CG2-CG 3.49Å; I281-W324 VanDerWaalsContact CG2-CG 3.49Å; I281-L383 HydrophobicContact CD1-CD1 4.36Å; I281-L383 HydrophobicContact CG1-CD1 3.8Å; I281-F385 HydrophobicContact CD1-CZ 3.99Å
282Q98.6Very high98.5Very high10 Ų1035.5 Ų35.55%0.04716%0.16CC..Hα-helixtrans-60-41.9-179.3-69.2174.5-19.600111.7C182 I184 Y195 Y265 V278 R279 K327C182-Q282 HydrophobicContact CB-CB 4.06Å; C182-Q282 HydrophobicContact CB-CG 4.28Å; C182-Q282 WeakPolarHBondContact CB-O 3.32Å; I184-Q282 VanDerWaalsContact CD1-CD 3.5Å; I184-Q282 HydrophobicContact CD1-CG 4.05Å; I184-Q282 VanDerWaalsContact CD1-NE2 3.26Å; Y195-Q282 WeakPolarHBondContact CD2-O 3.44Å; Y195-Q282 HydrophobicContact CE2-CB 3.93Å; Y195-Q282 WeakPolarHBondContact CE2-O 3.47Å; Y265-Q282 PolarHBondContact OH-NE2 2.8Å; V278-Q282 HydrophobicContact CG1-CG 4.16Å; V278-Q282 VanDerWaalsContact O-CG 3.29Å; V278-Q282 WeakPolarHBondContact O-CG 3.44Å; V278-Q282 PolarHBondContact O-N 3.38Å; R279-Q282 PolarHBondContact O-N 3.17Å; Q282-K327 PolarHBondContact O-NZ 2.86Å
283K97.8Very high98.2Very high69 Ų6929.5 Ų29.530%0.315%0.146SC..Hα-helixtrans-76.3-21-179.2-77.8-175.5169.5-164.40115.4Y195 P202 R279 I281Y195-K283 HydrophobicContact CD1-CD 4.37Å; Y195-K283 HydrophobicContact CD1-CG 3.55Å; Y195-K283 HydrophobicContact CD2-CG 4.23Å; Y195-K283 HydrophobicContact CE1-CG 3.67Å; Y195-K283 HydrophobicContact CE2-CG 4.35Å; Y195-K283 HydrophobicContact CG-CB 4.43Å; Y195-K283 HydrophobicContact CG-CG 3.82Å; P202-K283 WeakPolarHBondContact CB-O 3.29Å; P202-K283 HydrophobicContact CG-CB 4.47Å; P202-K283 WeakPolarHBondContact CG-O 3.41Å; R279-K283 HydrophobicContact CG-CD 4.22Å; R279-K283 VanDerWaalsContact O-CB 3.32Å; R279-K283 WeakPolarHBondContact O-CB 3.38Å; R279-K283 WeakPolarHBondContact O-CG 3.47Å; R279-K283 PolarHBondContact O-N 3.29Å; I281-K283 VanDerWaalsContact C-N 3.29Å; I281-K283 PolarHBondContact O-N 3.41Å
284S98.6Very high98Very high0 Ų028.5 Ų28.50%014%0.138CC..SBendtrans-57.1152.1-172.966.60000112.1S180 H204 T206 A280 I281 F286 K327S180-S284 WeakPolarHBondContact CA-O 3.41Å; H204-S284 CarbonylContact O-C 3.48Å; H204-S284 WeakPolarHBondContact O-CA 3.47Å; T206-S284 WeakPolarHBondContact OG1-CB 3.47Å; T206-S284 PolarHBondContact OG1-OG 2.85Å; A280-S284 PolarHBondContact O-N 3.41Å; A280-S284 VanDerWaalsContact O-N 3.15Å; I281-S284 PolarHBondContact O-N 3.28Å; I281-S284 PolarHBondContact O-OG 3.19Å; S284-F286 VanDerWaalsContact C-N 3.3Å; S284-F286 PolarHBondContact O-N 3.17Å; S284-F286 PolarHBondContact OG-O 3.49Å; S284-K327 WeakPolarHBondContact O-CE 3.3Å; S284-K327 PolarHBondContact O-NZ 3.03Å; S284-K327 VanDerWaalsContact OG-CE 3.31Å; S284-K327 WeakPolarHBondContact OG-CE 3.35Å
285I98.6Very high97.6Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..SBendtrans-61-45.6-179.8-57.6165.7000109.6L149 K152 L179 S180 P202 H204 V205 V218 Y219L149-I285 HydrophobicContact CD2-CD1 3.91Å; K152-I285 HydrophobicContact CD-CD1 3.98Å; K152-I285 HydrophobicContact CD-CG1 4.36Å; K152-I285 HydrophobicContact CD-CG2 3.71Å; L179-I285 HydrophobicContact CB-CG2 4.18Å; L179-I285 HydrophobicContact CD2-CG2 4.03Å; S180-I285 PolarHBondContact N-O 2.95Å; P202-I285 HydrophobicContact CB-CG1 4.43Å; H204-I285 WeakPolarHBondContact O-CG1 3.45Å; H204-I285 PolarHBondContact O-N 3.32Å; V205-I285 HydrophobicContact CG1-CB 4.34Å; V218-I285 HydrophobicContact CG2-CD1 3.83Å; Y219-I285 HydrophobicContact CE2-CD1 4.07Å
286F98.9Very high97.1Very high0 Ų039.8 Ų39.80%019%0.186CC..  trans-158.7175.4171.158.1-87000109I145 V148 L179 V205 T206 S284 V288 L329 F331I145-F286 HydrophobicContact CB-CZ 4.3Å; I145-F286 HydrophobicContact CG1-CE2 4.16Å; I145-F286 HydrophobicContact CG1-CZ 4.11Å; I145-F286 HydrophobicContact CG2-CZ 4.16Å; V148-F286 HydrophobicContact CB-CD1 4.42Å; V148-F286 HydrophobicContact CB-CE1 3.73Å; V148-F286 HydrophobicContact CB-CZ 3.84Å; V148-F286 HydrophobicContact CG1-CD1 3.56Å; V148-F286 HydrophobicContact CG1-CE1 3.3Å; V148-F286 HydrophobicContact CG1-CG 4.36Å; V148-F286 HydrophobicContact CG1-CZ 3.89Å; V148-F286 HydrophobicContact CG2-CZ 4.3Å; L179-F286 HydrophobicContact CD2-CD1 4.28Å; V205-F286 HydrophobicContact CG1-CD1 3.95Å; V205-F286 HydrophobicContact CG1-CD2 4.39Å; V205-F286 HydrophobicContact CG1-CE1 3.54Å; V205-F286 HydrophobicContact CG1-CE2 4.06Å; V205-F286 HydrophobicContact CG1-CG 4.35Å; V205-F286 HydrophobicContact CG1-CZ 3.61Å; T206-F286 PolarHBondContact N-O 3.13Å; T206-F286 VanDerWaalsContact N-O 3.12Å; S284-F286 VanDerWaalsContact C-N 3.3Å; S284-F286 PolarHBondContact O-N 3.17Å; S284-F286 PolarHBondContact OG-O 3.49Å; F286-V288 HydrophobicContact CD2-CG2 3.98Å; F286-V288 HydrophobicContact CE2-CG2 3.52Å; F286-L329 HydrophobicContact CB-CB 3.93Å; F286-F331 AromaticContact CD2-CD2 3.62Å; F286-F331 HydrophobicContact CD2-CD2 3.62Å; F286-F331 HydrophobicContact CD2-CE2 4.03Å; F286-F331 HydrophobicContact CE2-CD2 4Å; F286-F331 HydrophobicContact CE2-CE2 4.41Å; F286-F331 HydrophobicContact CG-CD2 4.28Å; F286-F331 HydrophobicContact CG-CE2 4.29Å
287T98.9Very high96.8Very high0 Ų037.4 Ų37.40%018%0.179CC..EExtended strand (participates in β ladder)trans-108.8144.2173.4-63.70000111.9T206 V208 L329 Q330 F331T206-T287 CarbonylContact O-C 3.59Å; T206-T287 WeakPolarHBondContact O-CA 3.35Å; T206-T287 PolarHBondContact OG1-OG1 3.39Å; V208-T287 HydrophobicContact CG1-CG2 4.18Å; T287-L329 PolarHBondContact N-O 3.15Å; T287-Q330 CarbonylContact O-C 3.56Å; T287-Q330 WeakPolarHBondContact O-CA 3.44Å; T287-F331 PolarHBondContact O-N 3.24Å
288V98.9Very high96.5Very high0 Ų040.4 Ų40.40%020%0.2CC..EExtended strand (participates in β ladder)trans-114124.7170.2179.70000108.9I145 T206 V207 V208 F286 L290 F331 I333I145-V288 HydrophobicContact CD1-CG2 4.04Å; I145-V288 HydrophobicContact CG1-CG2 3.83Å; T206-V288 PolarHBondContact O-N 2.91Å; V207-V288 CarbonylContact C-O 3.53Å; V207-V288 WeakPolarHBondContact CA-O 3.43Å; V207-V288 HydrophobicContact CG2-CB 4.4Å; V208-V288 PolarHBondContact N-O 2.72Å; F286-V288 HydrophobicContact CD2-CG2 3.98Å; F286-V288 HydrophobicContact CE2-CG2 3.52Å; V288-L290 HydrophobicContact CG1-CD2 4.1Å; V288-F331 CarbonylContact C-O 3.48Å; V288-F331 WeakPolarHBondContact CA-O 3.49Å; V288-I333 HydrophobicContact CG1-CD1 3.56Å
289C98.9Very high96Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-106.5114.2178.8-43.10000108.7V208 F331 I332 I333V208-C289 HydrophobicContact CG1-CB 3.83Å; C289-F331 PolarHBondContact N-O 3.23Å; C289-I332 HydrophobicContact CB-CB 4.45Å; C289-I332 HydrophobicContact CB-CG1 4.04Å; C289-I332 HydrophobicContact CB-CG2 4.49Å; C289-I333 PolarHBondContact O-N 3.3Å
290L98.6Very high95.4Very high0 Ų046.9 Ų46.90%024%0.241CC..EExtended strand (participates in β ladder)trans-91.4104.1172.8-56.6178.5000107.1M138 A141 V207 V208 H209 W239 V288 N322M138-L290 HydrophobicContact CE-CD1 4.01Å; M138-L290 HydrophobicContact CE-CD2 4.06Å; M138-L290 HydrophobicContact SD-CD1 4.1Å; A141-L290 HydrophobicContact CB-CD2 4.23Å; V207-L290 HydrophobicContact CG1-CD1 3.9Å; V207-L290 HydrophobicContact CG1-CG 4.1Å; V208-L290 PolarHBondContact O-N 3.31Å; H209-L290 HydrophobicContact CB-CB 4.1Å; H209-L290 HydrophobicContact CB-CD1 4.35Å; H209-L290 PolarHBondContact CD2-O 3.21Å; W239-L290 HydrophobicContact CE3-CD1 4.4Å; V288-L290 HydrophobicContact CG1-CD2 4.1Å; L290-N322 PolarHBondContact O-ND2 2.95Å
291D98Very high95.2Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-96140.1-167.9-93.818.7000112.5Q309 N319 N322 R323 I332 I333 G334 E335D291-Q309 PolarHBondContact OD2-NE2 2.91Å; D291-N319 VanDerWaalsContact OD2-CB 3.26Å; D291-N319 WeakPolarHBondContact OD2-CB 3.25Å; D291-N319 PolarHBondContact OD2-ND2 2.98Å; D291-N322 PolarHBondContact OD1-ND2 2.91Å; D291-R323 IonicContact OD1-CZ 2.72Å; D291-R323 IonicContact OD1-NH1 2.86Å; D291-R323 PolarHBondContact OD1-NH1 2.94Å; D291-R323 IonicContact OD1-NH2 3.28Å; D291-R323 IonicContact OD2-CZ 2.7Å; D291-R323 IonicContact OD2-NH1 2.72Å; D291-R323 PolarHBondContact OD2-NH1 3.48Å; D291-R323 IonicContact OD2-NH2 3.22Å; D291-R323 PolarHBondContact OD2-NH2 3.44Å; D291-I332 HydrophobicContact CB-CG2 4.24Å; D291-I332 VanDerWaalsContact OD2-CG2 3.27Å; D291-I332 WeakPolarHBondContact OD2-CG2 3.33Å; D291-I333 PolarHBondContact N-O 3.47Å; D291-G334 WeakPolarHBondContact O-CA 3.34Å; D291-E335 PolarHBondContact O-N 3.39Å
292A95.8Very high94.9Very high28 Ų2850.7 Ų50.723%0.23126%0.256CS..PPolyproline II helixtrans-68.8153.6169.300000110.4M294 N319A292-M294 PolarHBondContact O-N 3.06Å; A292-N319 PolarHBondContact N-OD1 2.95Å; A292-N319 VanDerWaalsContact N-OD1 3.1Å; A292-N319 PolarHBondContact O-ND2 2.92Å
293P93.1Very high94.7Very high63 Ų6352.4 Ų52.441%0.40927%0.265SS..PPolyproline II helixtrans-65.1135.6177.427.6-34000110.8D336P293-D336 HydrophobicContact CB-CB 4.35Å
294M93.1Very high94.7Very high25 Ų2549.3 Ų49.312%0.12325%0.251CS..PPolyproline II helixtrans-87.7171170.9-72.5-173.863.800111.7A292 R296 Q309 W318A292-M294 PolarHBondContact O-N 3.06Å; M294-R296 PolarHBondContact O-N 3.32Å; M294-Q309 HydrophobicContact SD-CB 3.63Å; M294-Q309 VanDerWaalsContact SD-CD 3.59Å; M294-Q309 HydrophobicContact SD-CG 3.56Å; M294-Q309 VanDerWaalsContact SD-CG 3.56Å; M294-W318 HydrophobicContact CB-CE3 4.25Å; M294-W318 HydrophobicContact CB-CZ3 4.47Å; M294-W318 HydrophobicContact CE-CD2 4.44Å; M294-W318 HydrophobicContact CE-CG 4.18Å; M294-W318 HydrophobicContact CG-CB 4.33Å; M294-W318 HydrophobicContact CG-CD2 4.2Å; M294-W318 HydrophobicContact CG-CE3 3.99Å; M294-W318 HydrophobicContact CG-CG 4.38Å
295L90.2Very high94.6Very high119 Ų11950.6 Ų50.662%0.62326%0.256SS*.PPolyproline II helixtrans-48.7134175.9-17069000111.2R305 W318L295-R305 WeakPolarHBondContact O-CD 3.38Å; L295-W318 HydrophobicContact CB-CH2 3.93Å; L295-W318 HydrophobicContact CB-CZ2 4.07Å
296R89.4Confident94.5Very high239 Ų23950.5 Ų50.590%0.90226%0.256SS*.PPolyproline II helixtrans-67.8134.6174-68.7-173.2179.2-176.4-0109.3M294M294-R296 PolarHBondContact O-N 3.32Å
297V91.9Very high94.5Very high62 Ų6250.5 Ų50.538%0.37626%0.256SS..  trans-124.5169.4177.6-64.20000108.9M301 R305V297-M301 HydrophobicContact CB-CB 4.09Å; V297-M301 HydrophobicContact CG2-CB 4.18Å; V297-R305 HydrophobicContact CG1-CB 4.48Å; V297-R305 HydrophobicContact CG1-CG 4.44Å; V297-R305 HydrophobicContact CG2-CB 4.02Å; V297-R305 HydrophobicContact CG2-CG 4.46Å
298S91.9Very high94.4Very high68 Ų6851.3 Ų51.348%0.47626%0.262SS..  trans-60.8156170.360.90000111.1E300 M301 Y302S298-E300 PolarHBondContact O-N 3.28Å; S298-M301 CarbonylContact O-C 3.49Å; S298-M301 PolarHBondContact O-N 3.41Å; S298-M301 PolarHBondContact OG-N 2.75Å; S298-Y302 PolarHBondContact O-N 2.86Å
299D87.7Confident94.4Very high140 Ų14051.3 Ų51.375%0.74926%0.262SS*.Hα-helixtrans-59.1-33.7178.3-68.9-30.5000112.1M301 Y302D299-M301 VanDerWaalsContact C-N 3.32Å; D299-M301 PolarHBondContact O-N 3.34Å; D299-Y302 VanDerWaalsContact O-CB 3.28Å; D299-Y302 WeakPolarHBondContact O-CB 3.32Å; D299-Y302 PolarHBondContact O-N 3.43Å
300E87.8Confident94.4Very high142 Ų14251.3 Ų51.366%0.66426%0.262SS*.Hα-helixtrans-62.4-37.7175-164.3-158.1141.200112.5S298 K412S298-E300 PolarHBondContact O-N 3.28Å; E300-K412 IonicContact OE1-NZ 3.16Å; E300-K412 PolarHBondContact OE1-NZ 3.23Å
301M92.6Very high94.4Very high73 Ų7351.3 Ų51.336%0.3626%0.262SS..Hα-helixtrans-89.2-5-179.6-68.3-58.7-68.400112.9V297 S298 D299 L303 S304 R305 K412V297-M301 HydrophobicContact CB-CB 4.09Å; V297-M301 HydrophobicContact CG2-CB 4.18Å; S298-M301 CarbonylContact O-C 3.49Å; S298-M301 PolarHBondContact O-N 3.41Å; S298-M301 PolarHBondContact OG-N 2.75Å; D299-M301 VanDerWaalsContact C-N 3.32Å; D299-M301 PolarHBondContact O-N 3.34Å; M301-L303 PolarHBondContact O-N 2.94Å; M301-S304 PolarHBondContact O-N 2.86Å; M301-R305 PolarHBondContact O-N 3.5Å; M301-K412 HydrophobicContact SD-CD 4.48Å
302Y93.6Very high94.4Very high26 Ų2651.6 Ų51.610%0.10226%0.264CS..Hα-helixtrans-55.5-54.8-176.1175.9-100.1000111.7R128 S298 D299 S304 R305 V306 T338R128-Y302 HydrophobicContact CB-CE1 3.86Å; R128-Y302 HydrophobicContact CG-CE1 4.3Å; R128-Y302 WeakPolarHBondContact CG-OH 3.46Å; S298-Y302 PolarHBondContact O-N 2.86Å; D299-Y302 VanDerWaalsContact O-CB 3.28Å; D299-Y302 WeakPolarHBondContact O-CB 3.32Å; D299-Y302 PolarHBondContact O-N 3.43Å; Y302-S304 VanDerWaalsContact C-N 3.31Å; Y302-S304 PolarHBondContact O-N 2.94Å; Y302-R305 PolarHBondContact O-N 3.01Å; Y302-V306 HydrophobicContact CD1-CG2 4.17Å; Y302-V306 HydrophobicContact CD2-CG2 4.29Å; Y302-V306 HydrophobicContact CE1-CG2 3.7Å; Y302-V306 HydrophobicContact CE2-CG2 3.84Å; Y302-V306 HydrophobicContact CG-CG2 4.44Å; Y302-V306 VanDerWaalsContact CZ-CG2 3.5Å; Y302-V306 VanDerWaalsContact O-CG2 3.32Å; Y302-V306 WeakPolarHBondContact O-CG2 3.36Å; Y302-V306 PolarHBondContact O-N 3.29Å; Y302-T338 PolarHBondContact OH-OG1 3.37Å; Y302-T338 VanDerWaalsContact OH-OG1 3.13Å
303L94.8Very high94.5Very high46 Ų4650.2 Ų50.224%0.24125%0.253CS..Hα-helixtrans-64.8-34.3-178.7-72.3177.8000112.7M301 V306 A307 V413 T415M301-L303 PolarHBondContact O-N 2.94Å; L303-V306 PolarHBondContact O-N 3.2Å; L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.88Å; L303-V413 HydrophobicContact CB-CB 3.94Å; L303-V413 HydrophobicContact CB-CG1 3.8Å; L303-V413 HydrophobicContact CB-CG2 4.44Å; L303-V413 HydrophobicContact CD1-CG1 4.19Å; L303-T415 WeakPolarHBondContact CD1-OG1 3.48Å
304S97.1Very high94.6Very high3 Ų347.9 Ų47.92%0.02124%0.24CC..Hα-helixtrans-62.6-47.1175-55.30000111.1M301 Y302 V306 A307 A308 V413M301-S304 PolarHBondContact O-N 2.86Å; Y302-S304 VanDerWaalsContact C-N 3.31Å; Y302-S304 PolarHBondContact O-N 2.94Å; S304-V306 PolarHBondContact O-N 3.46Å; S304-A307 PolarHBondContact O-N 3.23Å; S304-A308 PolarHBondContact O-N 2.93Å; S304-V413 PolarHBondContact OG-N 3.49Å
305R96.4Very high94.8Very high27 Ų2746.8 Ų46.810%0.10224%0.235CC..Hα-helixtrans-62-42.5174.4-177.2-151.864131.69111.7L295 V297 M301 Y302 A308 Q309 D336 T338L295-R305 WeakPolarHBondContact O-CD 3.38Å; V297-R305 HydrophobicContact CG1-CB 4.48Å; V297-R305 HydrophobicContact CG1-CG 4.44Å; V297-R305 HydrophobicContact CG2-CB 4.02Å; V297-R305 HydrophobicContact CG2-CG 4.46Å; M301-R305 PolarHBondContact O-N 3.5Å; Y302-R305 PolarHBondContact O-N 3.01Å; R305-A308 PolarHBondContact O-N 3.1Å; R305-Q309 WeakPolarHBondContact O-CB 3.45Å; R305-Q309 PolarHBondContact O-N 3.29Å; R305-D336 IonicContact CZ-OD2 3.17Å; R305-D336 IonicContact NH1-OD2 3.92Å; R305-D336 PolarHBondContact NH1-OD2 2.97Å; R305-D336 IonicContact NH2-OD2 2.88Å; R305-D336 PolarHBondContact NH2-OD2 3.39Å; R305-T338 PolarHBondContact NH2-OG1 3.46Å
306V97.3Very high95Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-64-45.8178172.90000110.8A125 Y302 L303 S304 A308 Q309 M310 T338A125-V306 HydrophobicContact CB-CB 4.46Å; A125-V306 HydrophobicContact CB-CG1 3.67Å; Y302-V306 HydrophobicContact CD1-CG2 4.17Å; Y302-V306 HydrophobicContact CD2-CG2 4.29Å; Y302-V306 HydrophobicContact CE1-CG2 3.7Å; Y302-V306 HydrophobicContact CE2-CG2 3.84Å; Y302-V306 HydrophobicContact CG-CG2 4.44Å; Y302-V306 VanDerWaalsContact CZ-CG2 3.5Å; Y302-V306 VanDerWaalsContact O-CG2 3.32Å; Y302-V306 WeakPolarHBondContact O-CG2 3.36Å; Y302-V306 PolarHBondContact O-N 3.29Å; L303-V306 PolarHBondContact O-N 3.2Å; S304-V306 PolarHBondContact O-N 3.46Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 3.44Å; V306-Q309 WeakPolarHBondContact O-CB 3.44Å; V306-Q309 PolarHBondContact O-N 2.87Å; V306-Q309 VanDerWaalsContact O-N 3.11Å; V306-M310 HydrophobicContact CG1-CE 4.09Å; V306-M310 HydrophobicContact CG1-CG 4.21Å; V306-M310 VanDerWaalsContact O-CG 3.31Å; V306-M310 WeakPolarHBondContact O-CG 3.3Å; V306-M310 PolarHBondContact O-N 2.89Å; V306-T338 HydrophobicContact CB-CG2 4.11Å; V306-T338 HydrophobicContact CG1-CG2 3.58Å; V306-T338 HydrophobicContact CG2-CG2 3.57Å
307A97.8Very high95.1Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-57.1-45.1176.700000111.5L303 S304 M310 L311 V411 V413 C567L303-A307 WeakPolarHBondContact O-CB 3.48Å; L303-A307 PolarHBondContact O-N 2.88Å; S304-A307 PolarHBondContact O-N 3.23Å; A307-M310 PolarHBondContact O-N 2.85Å; A307-L311 WeakPolarHBondContact O-CB 3.41Å; A307-L311 PolarHBondContact O-N 3.04Å; A307-V411 HydrophobicContact CB-CG1 4.04Å; A307-V413 HydrophobicContact CB-CG2 3.72Å; A307-C567 HydrophobicContact CB-CB 4.37Å; A307-C567 PolarHBondContact O-SG 3.3Å
308A97.9Very high95.3Very high16 Ų1643.5 Ų43.513%0.13221%0.211CC..Hα-helixtrans-61.3-43.917300000112.7S304 R305 V306 M310 L311 H312 G313 V411S304-A308 PolarHBondContact O-N 2.93Å; R305-A308 PolarHBondContact O-N 3.1Å; V306-A308 VanDerWaalsContact C-N 3.32Å; V306-A308 PolarHBondContact O-N 3.44Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 2.94Å; A308-L311 PolarHBondContact O-N 2.99Å; A308-H312 WeakPolarHBondContact CB-NE2 3.34Å; A308-H312 PolarHBondContact O-CD2 3.16Å; A308-H312 VanDerWaalsContact O-CD2 3.31Å; A308-H312 PolarHBondContact O-CE1 2.99Å; A308-H312 VanDerWaalsContact O-CE1 3.26Å; A308-H312 PolarHBondContact O-N 2.9Å; A308-H312 PolarHBondContact O-ND1 3.09Å; A308-H312 PolarHBondContact O-NE2 3Å; A308-G313 PolarHBondContact O-N 2.97Å; A308-V411 HydrophobicContact CB-CG2 4.32Å
309Q98.3Very high95.6Very high0 Ų040.5 Ų40.50%019%0.189CC..Hα-helixtrans-61.1-40.8176-177176.1-3.700112.4D291 M294 R305 V306 G313 N319 R323D291-Q309 PolarHBondContact OD2-NE2 2.91Å; M294-Q309 HydrophobicContact SD-CB 3.63Å; M294-Q309 VanDerWaalsContact SD-CD 3.59Å; M294-Q309 HydrophobicContact SD-CG 3.56Å; M294-Q309 VanDerWaalsContact SD-CG 3.56Å; R305-Q309 WeakPolarHBondContact O-CB 3.45Å; R305-Q309 PolarHBondContact O-N 3.29Å; V306-Q309 WeakPolarHBondContact O-CB 3.44Å; V306-Q309 PolarHBondContact O-N 2.87Å; V306-Q309 VanDerWaalsContact O-N 3.11Å; Q309-G313 WeakPolarHBondContact O-CA 3.45Å; Q309-G313 PolarHBondContact O-N 2.7Å; Q309-N319 PolarHBondContact NE2-ND2 3.48Å; Q309-R323 PolarHBondContact O-NH2 2.94Å
310M98.4Very high96.1Very high0 Ų033.9 Ų33.90%015%0.154CC..Hα-helixtrans-66.9-45.8176.8-63.8-52.3127.300110.7V124 V306 A307 A308 I332 T338 G340 V342V124-M310 WeakPolarHBondContact O-CG 3.41Å; V306-M310 HydrophobicContact CG1-CE 4.09Å; V306-M310 HydrophobicContact CG1-CG 4.21Å; V306-M310 VanDerWaalsContact O-CG 3.31Å; V306-M310 WeakPolarHBondContact O-CG 3.3Å; V306-M310 PolarHBondContact O-N 2.89Å; A307-M310 PolarHBondContact O-N 2.85Å; A308-M310 VanDerWaalsContact C-N 3.34Å; A308-M310 PolarHBondContact O-N 2.94Å; M310-I332 HydrophobicContact CE-CB 4.13Å; M310-I332 HydrophobicContact CE-CG2 3.74Å; M310-I332 HydrophobicContact SD-CB 3.65Å; M310-I332 HydrophobicContact SD-CD1 3.52Å; M310-I332 VanDerWaalsContact SD-CD1 3.52Å; M310-I332 HydrophobicContact SD-CG1 4.17Å; M310-I332 HydrophobicContact SD-CG2 3.91Å; M310-T338 HydrophobicContact CE-CG2 3.44Å; M310-T338 VanDerWaalsContact CE-CG2 3.44Å; M310-G340 WeakPolarHBondContact SD-CA 3.35Å; M310-V342 WeakPolarHBondContact O-CB 3.49Å
311L98.3Very high96.6Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-67.4-42-174.7-173.558.4000113.5S121 A307 A308 L409S121-L311 VanDerWaalsContact O-CD1 3.25Å; S121-L311 WeakPolarHBondContact O-CD1 3.49Å; A307-L311 WeakPolarHBondContact O-CB 3.41Å; A307-L311 PolarHBondContact O-N 3.04Å; A308-L311 PolarHBondContact O-N 2.99Å; L311-L409 HydrophobicContact CD2-CD2 3.63Å
312H98.3Very high96.9Very high6 Ų623.8 Ų23.83%0.02811%0.106CC..Hα-helixtrans-141.2-3.4-172.954.774.8000115.2V118 A308 G314 S320 M402 V406V118-H312 HydrophobicContact CG2-CB 3.98Å; A308-H312 WeakPolarHBondContact CB-NE2 3.34Å; A308-H312 PolarHBondContact O-CD2 3.16Å; A308-H312 VanDerWaalsContact O-CD2 3.31Å; A308-H312 PolarHBondContact O-CE1 2.99Å; A308-H312 VanDerWaalsContact O-CE1 3.26Å; A308-H312 PolarHBondContact O-N 2.9Å; A308-H312 PolarHBondContact O-ND1 3.09Å; A308-H312 PolarHBondContact O-NE2 3Å; H312-G314 PolarHBondContact ND1-N 2.77Å; H312-G314 VanDerWaalsContact ND1-N 3.16Å; H312-S320 WeakPolarHBondContact O-CB 3.37Å; H312-S320 PolarHBondContact O-OG 3.29Å; H312-M402 HydrophobicContact CB-SD 4.5Å; H312-V406 HydrophobicContact CB-CG2 4.11Å; H312-V406 VanDerWaalsContact ND1-CG2 3.3Å; H312-V406 WeakPolarHBondContact ND1-CG2 3.43Å
313G98Very high97.2Very high0 Ų022.5 Ų22.50%010%0.101CC..THydrogen-bonded Turntrans80.110.4177.100000115.3A308 Q309 G315 W318 N319 S320A308-G313 PolarHBondContact O-N 2.97Å; Q309-G313 WeakPolarHBondContact O-CA 3.45Å; Q309-G313 PolarHBondContact O-N 2.7Å; G313-G315 VanDerWaalsContact C-N 3.33Å; G313-G315 PolarHBondContact O-N 3.34Å; G313-W318 WeakPolarHBondContact O-CB 3.18Å; G313-N319 CarbonylContact O-C 3.6Å; G313-N319 WeakPolarHBondContact O-CA 3.13Å; G313-N319 PolarHBondContact O-N 3.39Å; G313-S320 PolarHBondContact O-N 3.47Å
314G96.4Very high97.4Very high13 Ų1320.3 Ų20.313%0.1349%0.089CC..THydrogen-bonded Turntrans80.8-4.3173.200000117.1H312H312-G314 PolarHBondContact ND1-N 2.77Å; H312-G314 VanDerWaalsContact ND1-N 3.16Å
315G96.3Very high97.5Very high2 Ų220.2 Ų20.22%0.0219%0.088CC..SBendtrans109.5179.517900000113.5G313 R317 W318 S320G313-G315 VanDerWaalsContact C-N 3.33Å; G313-G315 PolarHBondContact O-N 3.34Å; G315-R317 VanDerWaalsContact C-N 3.26Å; G315-R317 PolarHBondContact O-N 2.99Å; G315-W318 PolarHBondContact O-N 3.06Å; G315-S320 VanDerWaalsContact C-OG 3.28Å; G315-S320 WeakPolarHBondContact CA-OG 3.48Å; G315-S320 PolarHBondContact N-OG 2.65Å; G315-S320 WeakPolarHBondContact O-CB 3.34Å; G315-S320 PolarHBondContact O-OG 2.84Å
316T94.6Very high97.6Very high27 Ų2718.9 Ų18.917%0.1668%0.084CC..THydrogen-bonded Turntrans-63.6-26.1-169.654.30000115.5I252 W318 K399 M402 N403I252-T316 HydrophobicContact CD1-CG2 3.6Å; T316-W318 VanDerWaalsContact C-N 3.31Å; T316-K399 HydrophobicContact CG2-CB 3.42Å; T316-K399 VanDerWaalsContact CG2-CB 3.42Å; T316-K399 HydrophobicContact CG2-CG 3.62Å; T316-K399 WeakPolarHBondContact CG2-O 3.18Å; T316-M402 HydrophobicContact CG2-CB 4.43Å; T316-N403 WeakPolarHBondContact CB-OD1 3.33Å; T316-N403 WeakPolarHBondContact CG2-OD1 3.29Å; T316-N403 PolarHBondContact N-OD1 2.9Å; T316-N403 VanDerWaalsContact N-OD1 3.11Å; T316-N403 VanDerWaalsContact OG1-CG 3.27Å; T316-N403 PolarHBondContact OG1-ND2 3.45Å; T316-N403 PolarHBondContact OG1-OD1 3.03Å
317R92.1Very high97.7Very high231 Ų23119 Ų1987%0.8728%0.084SC*.THydrogen-bonded Turntrans-81.7-12.2178.4-64.8-175.7179-174.70.3113.1G315G315-R317 VanDerWaalsContact C-N 3.26Å; G315-R317 PolarHBondContact O-N 2.99Å
318W95.8Very high97.7Very high94 Ų9419 Ų1936%0.3568%0.084SC..THydrogen-bonded Turntrans-116.1-121.6-173.4-56.5105.4000109.8F211 M294 L295 G313 G315 T316F211-W318 WeakPolarHBondContact CE1-O 3.25Å; M294-W318 HydrophobicContact CB-CE3 4.25Å; M294-W318 HydrophobicContact CB-CZ3 4.47Å; M294-W318 HydrophobicContact CE-CD2 4.44Å; M294-W318 HydrophobicContact CE-CG 4.18Å; M294-W318 HydrophobicContact CG-CB 4.33Å; M294-W318 HydrophobicContact CG-CD2 4.2Å; M294-W318 HydrophobicContact CG-CE3 3.99Å; M294-W318 HydrophobicContact CG-CG 4.38Å; L295-W318 HydrophobicContact CB-CH2 3.93Å; L295-W318 HydrophobicContact CB-CZ2 4.07Å; G313-W318 WeakPolarHBondContact O-CB 3.18Å; G315-W318 PolarHBondContact O-N 3.06Å; T316-W318 VanDerWaalsContact C-N 3.31Å
319N98.4Very high97.7Very high5 Ų518.3 Ų18.33%0.0278%0.078CC..THydrogen-bonded Turntrans-107.43.5-167.2-65-54.3000113.7D291 A292 Q309 G313 G321 N322 R323D291-N319 VanDerWaalsContact OD2-CB 3.26Å; D291-N319 WeakPolarHBondContact OD2-CB 3.25Å; D291-N319 PolarHBondContact OD2-ND2 2.98Å; A292-N319 PolarHBondContact N-OD1 2.95Å; A292-N319 VanDerWaalsContact N-OD1 3.1Å; A292-N319 PolarHBondContact O-ND2 2.92Å; Q309-N319 PolarHBondContact NE2-ND2 3.48Å; G313-N319 CarbonylContact O-C 3.6Å; G313-N319 WeakPolarHBondContact O-CA 3.13Å; G313-N319 PolarHBondContact O-N 3.39Å; N319-G321 PolarHBondContact O-N 2.92Å; N319-N322 HydrophobicContact CB-CB 4.42Å; N319-N322 WeakPolarHBondContact O-CA 3.26Å; N319-N322 VanDerWaalsContact O-CB 3.27Å; N319-N322 WeakPolarHBondContact O-CB 3.43Å; N319-N322 PolarHBondContact O-N 2.9Å; N319-R323 PolarHBondContact O-NH1 2.95Å
320S98.6Very high97.8Very high0 Ų018.3 Ų18.30%08%0.078CC..THydrogen-bonded Turntrans-60.5-31.6-179.8-65.10000113.9H312 G313 G315 N322H312-S320 WeakPolarHBondContact O-CB 3.37Å; H312-S320 PolarHBondContact O-OG 3.29Å; G313-S320 PolarHBondContact O-N 3.47Å; G315-S320 VanDerWaalsContact C-OG 3.28Å; G315-S320 WeakPolarHBondContact CA-OG 3.48Å; G315-S320 PolarHBondContact N-OG 2.65Å; G315-S320 WeakPolarHBondContact O-CB 3.34Å; G315-S320 PolarHBondContact O-OG 2.84Å; S320-N322 VanDerWaalsContact C-N 3.27Å
321G98.4Very high97.8Very high1 Ų118.5 Ų18.51%0.018%0.079CC..THydrogen-bonded Turntrans-76.7-13.7173.800000114N319 R323N319-G321 PolarHBondContact O-N 2.92Å; G321-R323 PolarHBondContact O-N 2.85Å
322N98.8Very high97.8Very high2 Ų218.5 Ų18.51%0.0118%0.079CC..SBendtrans-91.539.4-176.9-154.253.4000110.3V208 H209 N210 F211 L290 D291 N319 S320V208-N322 VanDerWaalsContact CG1-O 3.26Å; V208-N322 WeakPolarHBondContact CG1-O 3.5Å; V208-N322 WeakPolarHBondContact CG2-OD1 3.16Å; H209-N322 WeakPolarHBondContact CA-OD1 3.35Å; H209-N322 PolarHBondContact N-OD1 3.45Å; N210-N322 PolarHBondContact N-OD1 3.02Å; F211-N322 HydrophobicContact CD1-CB 3.96Å; F211-N322 HydrophobicContact CE1-CB 4.22Å; F211-N322 PolarHBondContact N-OD1 3.17Å; L290-N322 PolarHBondContact O-ND2 2.95Å; D291-N322 PolarHBondContact OD1-ND2 2.91Å; N319-N322 HydrophobicContact CB-CB 4.42Å; N319-N322 WeakPolarHBondContact O-CA 3.26Å; N319-N322 VanDerWaalsContact O-CB 3.27Å; N319-N322 WeakPolarHBondContact O-CB 3.43Å; N319-N322 PolarHBondContact O-N 2.9Å; S320-N322 VanDerWaalsContact C-N 3.27Å
323R98.9Very high97.8Very high0 Ų018.2 Ų18.20%08%0.078CC..  trans-146.2158.5-171.3-62.1-66.4-176.3-80.2-5.3110.5G251 D291 Q309 N319 G321 F325G251-R323 CarbonylContact C-O 3.45Å; G251-R323 WeakPolarHBondContact CA-O 3.49Å; D291-R323 IonicContact OD1-CZ 2.72Å; D291-R323 IonicContact OD1-NH1 2.86Å; D291-R323 PolarHBondContact OD1-NH1 2.94Å; D291-R323 IonicContact OD1-NH2 3.28Å; D291-R323 IonicContact OD2-CZ 2.7Å; D291-R323 IonicContact OD2-NH1 2.72Å; D291-R323 PolarHBondContact OD2-NH1 3.48Å; D291-R323 IonicContact OD2-NH2 3.22Å; D291-R323 PolarHBondContact OD2-NH2 3.44Å; Q309-R323 PolarHBondContact O-NH2 2.94Å; N319-R323 PolarHBondContact O-NH1 2.95Å; G321-R323 PolarHBondContact O-N 2.85Å; R323-F325 HydrophobicContact CB-CD2 3.98Å; R323-F325 HydrophobicContact CB-CE1 4.4Å; R323-F325 HydrophobicContact CB-CE2 3.64Å; R323-F325 HydrophobicContact CB-CZ 3.88Å; R323-F325 HydrophobicContact CG-CE1 4.31Å; R323-F325 HydrophobicContact CG-CE2 4.03Å; R323-F325 HydrophobicContact CG-CZ 3.78Å
324W98.9Very high97.8Very high0 Ų018.2 Ų18.20%08%0.078CC..  trans-132.987.9162.7-170-87.4000108.1F213 T254 W261 L268 V278 I281 D326 K327 Q330F213-W324 HydrophobicContact CE1-CB 4.05Å; F213-W324 HydrophobicContact CZ-CB 4.27Å; F213-W324 HydrophobicContact CZ-CE3 4.23Å; T254-W324 HydrophobicContact CG2-CD2 3.6Å; T254-W324 HydrophobicContact CG2-CE3 3.78Å; T254-W324 HydrophobicContact CG2-CG 4.08Å; T254-W324 HydrophobicContact CG2-CH2 4.11Å; T254-W324 HydrophobicContact CG2-CZ2 3.95Å; T254-W324 HydrophobicContact CG2-CZ3 4.03Å; W261-W324 HydrophobicContact CH2-CH2 4.02Å; W261-W324 HydrophobicContact CH2-CZ2 4.39Å; W261-W324 HydrophobicContact CZ2-CH2 4.03Å; W261-W324 AromaticContact CZ2-CZ2 3.95Å; W261-W324 HydrophobicContact CZ2-CZ2 3.95Å; L268-W324 HydrophobicContact CD2-CH2 4.38Å; V278-W324 HydrophobicContact CG1-CZ2 4.23Å; V278-W324 HydrophobicContact CG2-CH2 3.9Å; V278-W324 HydrophobicContact CG2-CZ2 4.4Å; I281-W324 HydrophobicContact CD1-CD2 4.24Å; I281-W324 HydrophobicContact CD1-CE3 3.92Å; I281-W324 HydrophobicContact CD1-CZ3 4.16Å; I281-W324 HydrophobicContact CG2-CB 4Å; I281-W324 HydrophobicContact CG2-CD2 3.78Å; I281-W324 HydrophobicContact CG2-CG 3.49Å; I281-W324 VanDerWaalsContact CG2-CG 3.49Å; W324-D326 PolarHBondContact O-N 2.95Å; W324-D326 VanDerWaalsContact O-N 3.08Å; W324-K327 VanDerWaalsContact O-CB 3.22Å; W324-K327 WeakPolarHBondContact O-CB 3.36Å; W324-K327 PolarHBondContact O-N 2.81Å; W324-Q330 PolarHBondContact O-NE2 2.76Å; W324-Q330 VanDerWaalsContact O-NE2 3.12Å; W324-Q330 PolarHBondContact O-OE1 2.9Å
325F98.9Very high97.6Very high0 Ų021.1 Ų21.10%09%0.088CC..THydrogen-bonded Turntrans-62.4-17.7-169.5-68.8-80.7000115V116 A117 T254 R323 K327 M402V116-F325 HydrophobicContact CG2-CB 3.75Å; A117-F325 HydrophobicContact CB-CD1 3.96Å; A117-F325 HydrophobicContact CB-CD2 4.42Å; A117-F325 HydrophobicContact CB-CE1 3.92Å; A117-F325 HydrophobicContact CB-CE2 4.38Å; A117-F325 HydrophobicContact CB-CG 4.22Å; A117-F325 HydrophobicContact CB-CZ 4.13Å; T254-F325 WeakPolarHBondContact OG1-CB 3.4Å; T254-F325 WeakPolarHBondContact OG1-CD2 3.44Å; T254-F325 PolarHBondContact OG1-N 3.11Å; R323-F325 HydrophobicContact CB-CD2 3.98Å; R323-F325 HydrophobicContact CB-CE1 4.4Å; R323-F325 HydrophobicContact CB-CE2 3.64Å; R323-F325 HydrophobicContact CB-CZ 3.88Å; R323-F325 HydrophobicContact CG-CE1 4.31Å; R323-F325 HydrophobicContact CG-CE2 4.03Å; R323-F325 HydrophobicContact CG-CZ 3.78Å; F325-K327 PolarHBondContact O-N 2.93Å; F325-M402 HydrophobicContact CE2-CE 3.61Å; F325-M402 HydrophobicContact CZ-CE 3.78Å
326D98.9Very high97.4Very high0 Ų022.7 Ų22.70%010%0.096CC..THydrogen-bonded Turntrans-71.2-18.1170.8-74.3-17.1000113C182 R183 R258 W261 W324C182-D326 PolarHBondContact SG-O 2.93Å; C182-D326 VanDerWaalsContact SG-O 3.32Å; R183-D326 HydrophobicContact CB-CB 4.35Å; R183-D326 PolarHBondContact N-O 3.41Å; R183-D326 WeakPolarHBondContact O-CB 3.41Å; R258-D326 IonicContact CZ-OD1 3.87Å; R258-D326 VanDerWaalsContact CZ-OD1 3.22Å; R258-D326 IonicContact NH1-OD1 3.47Å; R258-D326 PolarHBondContact NH1-OD1 2.86Å; R258-D326 IonicContact NH2-OD1 3.78Å; R258-D326 PolarHBondContact NH2-OD1 2.87Å; W261-D326 PolarHBondContact NE1-OD2 3.42Å; W324-D326 PolarHBondContact O-N 2.95Å; W324-D326 VanDerWaalsContact O-N 3.08Å
327K98.9Very high97.4Very high1 Ų121.5 Ų21.50%0.0049%0.089CC..BIsolated β-bridgetrans-75129.9-178.8-169.170.6-169.4155.90109.8T181 C182 Q282 S284 W324 F325 L329 Q330T181-K327 WeakPolarHBondContact O-CE 3.28Å; T181-K327 PolarHBondContact O-NZ 3.4Å; C182-K327 HydrophobicContact CB-CD 4.48Å; Q282-K327 PolarHBondContact O-NZ 2.86Å; S284-K327 WeakPolarHBondContact O-CE 3.3Å; S284-K327 PolarHBondContact O-NZ 3.03Å; S284-K327 VanDerWaalsContact OG-CE 3.31Å; S284-K327 WeakPolarHBondContact OG-CE 3.35Å; W324-K327 VanDerWaalsContact O-CB 3.22Å; W324-K327 WeakPolarHBondContact O-CB 3.36Å; W324-K327 PolarHBondContact O-N 2.81Å; F325-K327 PolarHBondContact O-N 2.93Å; K327-L329 VanDerWaalsContact C-N 3.31Å; K327-L329 PolarHBondContact O-N 3.44Å; K327-Q330 HydrophobicContact CB-CG 4.01Å; K327-Q330 HydrophobicContact CG-CG 4.45Å
328T98.8Very high97.5Very high1 Ų110.5 Ų10.51%0.0065%0.047CC..SBendtrans-58.7-39.8-176.2-550000113.4I178 T181 Y343 E344 P347I178-T328 HydrophobicContact CB-CG2 4.44Å; I178-T328 WeakPolarHBondContact O-CG2 3.19Å; T181-T328 VanDerWaalsContact C-OG1 3.23Å; T181-T328 VanDerWaalsContact CB-OG1 3.31Å; T181-T328 WeakPolarHBondContact CB-OG1 3.48Å; T181-T328 WeakPolarHBondContact CG2-OG1 3.23Å; T181-T328 PolarHBondContact O-N 3.07Å; T181-T328 PolarHBondContact O-OG1 3.36Å; T181-T328 VanDerWaalsContact O-OG1 3.09Å; T328-Y343 CarbonylContact O-C 3.55Å; T328-Y343 WeakPolarHBondContact O-CA 3.25Å; T328-Y343 WeakPolarHBondContact O-CB 3.44Å; T328-E344 PolarHBondContact O-N 3.15Å; T328-P347 HydrophobicContact CG2-CB 3.99Å; T328-P347 HydrophobicContact CG2-CG 3.67Å
329L98.8Very high97.6Very high1 Ų16 Ų61%0.0053%0.031CC..EExtended strand (participates in β ladder)trans-128.5124.4178-73.7175.1000111.2I178 L179 F286 T287 K327 I353 L356I178-L329 HydrophobicContact CB-CD1 4.04Å; I178-L329 HydrophobicContact CD1-CD1 4.43Å; I178-L329 HydrophobicContact CG1-CD1 4.38Å; I178-L329 WeakPolarHBondContact O-CD1 3.17Å; L179-L329 HydrophobicContact CD2-CD1 3.68Å; L179-L329 HydrophobicContact CG-CD1 4.44Å; F286-L329 HydrophobicContact CB-CB 3.93Å; T287-L329 PolarHBondContact N-O 3.15Å; K327-L329 VanDerWaalsContact C-N 3.31Å; K327-L329 PolarHBondContact O-N 3.44Å; L329-I353 HydrophobicContact CD2-CD1 3.9Å; L329-L356 HydrophobicContact CD1-CD2 3.76Å
330Q98.9Very high97.5Very high1 Ų15.8 Ų5.81%0.0053%0.029CC..EExtended strand (participates in β ladder)trans-129.6107.3173-57.6-178.980.600109.4T287 W324 K327 L341 V342T287-Q330 CarbonylContact O-C 3.56Å; T287-Q330 WeakPolarHBondContact O-CA 3.44Å; W324-Q330 PolarHBondContact O-NE2 2.76Å; W324-Q330 VanDerWaalsContact O-NE2 3.12Å; W324-Q330 PolarHBondContact O-OE1 2.9Å; K327-Q330 HydrophobicContact CB-CG 4.01Å; K327-Q330 HydrophobicContact CG-CG 4.45Å; Q330-L341 CarbonylContact O-C 3.35Å; Q330-L341 WeakPolarHBondContact O-CA 3.36Å; Q330-L341 VanDerWaalsContact O-CB 3.22Å; Q330-L341 WeakPolarHBondContact O-CB 3.46Å; Q330-V342 HydrophobicContact CB-CG1 3.83Å; Q330-V342 HydrophobicContact CG-CG1 4.37Å; Q330-V342 PolarHBondContact N-O 3.16Å; Q330-V342 PolarHBondContact O-N 3.15Å
331F98.9Very high97.5Very high3 Ų35.8 Ų5.81%0.0133%0.029CC..EExtended strand (participates in β ladder)trans-82.8137.7171.7-68.5-85000109.6L144 V148 F286 T287 V288 C289 L341 L356L144-F331 HydrophobicContact CD1-CB 4.27Å; L144-F331 HydrophobicContact CD1-CD1 3.93Å; L144-F331 HydrophobicContact CD1-CG 4.3Å; L144-F331 HydrophobicContact CD2-CB 3.83Å; L144-F331 HydrophobicContact CD2-CD1 3.85Å; L144-F331 HydrophobicContact CD2-CD2 3.95Å; L144-F331 HydrophobicContact CD2-CE1 4.36Å; L144-F331 HydrophobicContact CD2-CE2 4.46Å; L144-F331 HydrophobicContact CD2-CG 3.6Å; L144-F331 HydrophobicContact CG-CD1 4.32Å; V148-F331 HydrophobicContact CG1-CE2 4.35Å; V148-F331 HydrophobicContact CG2-CD2 4.41Å; V148-F331 HydrophobicContact CG2-CE1 4.4Å; V148-F331 HydrophobicContact CG2-CE2 3.62Å; V148-F331 HydrophobicContact CG2-CZ 3.61Å; F286-F331 AromaticContact CD2-CD2 3.62Å; F286-F331 HydrophobicContact CD2-CD2 3.62Å; F286-F331 HydrophobicContact CD2-CE2 4.03Å; F286-F331 HydrophobicContact CE2-CD2 4Å; F286-F331 HydrophobicContact CE2-CE2 4.41Å; F286-F331 HydrophobicContact CG-CD2 4.28Å; F286-F331 HydrophobicContact CG-CE2 4.29Å; T287-F331 PolarHBondContact O-N 3.24Å; V288-F331 CarbonylContact C-O 3.48Å; V288-F331 WeakPolarHBondContact CA-O 3.49Å; C289-F331 PolarHBondContact N-O 3.23Å; F331-L341 HydrophobicContact CD1-CB 4.03Å; F331-L341 HydrophobicContact CD1-CD2 3.99Å; F331-L341 HydrophobicContact CE1-CB 4.44Å; F331-L341 HydrophobicContact CE1-CD2 3.55Å; F331-L341 HydrophobicContact CZ-CD2 4.17Å; F331-L356 HydrophobicContact CZ-CD2 4.07Å
332I98.9Very high97.5Very high0 Ų05.8 Ų5.80%03%0.029CC..EExtended strand (participates in β ladder)trans-122.6124.7-172.9-59.7159.1000108C289 D291 M310 C339 G340 V342C289-I332 HydrophobicContact CB-CB 4.45Å; C289-I332 HydrophobicContact CB-CG1 4.04Å; C289-I332 HydrophobicContact CB-CG2 4.49Å; D291-I332 HydrophobicContact CB-CG2 4.24Å; D291-I332 VanDerWaalsContact OD2-CG2 3.27Å; D291-I332 WeakPolarHBondContact OD2-CG2 3.33Å; M310-I332 HydrophobicContact CE-CB 4.13Å; M310-I332 HydrophobicContact CE-CG2 3.74Å; M310-I332 HydrophobicContact SD-CB 3.65Å; M310-I332 HydrophobicContact SD-CD1 3.52Å; M310-I332 VanDerWaalsContact SD-CD1 3.52Å; M310-I332 HydrophobicContact SD-CG1 4.17Å; M310-I332 HydrophobicContact SD-CG2 3.91Å; I332-C339 WeakPolarHBondContact O-CA 3.28Å; I332-G340 PolarHBondContact N-O 2.96Å; I332-G340 PolarHBondContact O-N 3.46Å; I332-V342 HydrophobicContact CD1-CB 4.5Å; I332-V342 HydrophobicContact CD1-CG1 4.1Å
333I98.5Very high97.5Very high1 Ų15.8 Ų5.81%0.0053%0.029CC..EExtended strand (participates in β ladder)trans-127.6102.5179-55.396.3000108.1Q137 F140 A141 L144 V288 C289 D291Q137-I333 HydrophobicContact CG-CG2 3.77Å; Q137-I333 PolarHBondContact NE2-O 3.31Å; Q137-I333 VanDerWaalsContact NE2-O 3.13Å; F140-I333 HydrophobicContact CD1-CG1 4.05Å; F140-I333 HydrophobicContact CD1-CG2 3.81Å; F140-I333 HydrophobicContact CE1-CG1 3.92Å; F140-I333 HydrophobicContact CE1-CG2 4.24Å; A141-I333 HydrophobicContact CB-CD1 4.15Å; A141-I333 HydrophobicContact CB-CG1 4.4Å; L144-I333 HydrophobicContact CD1-CD1 4.46Å; V288-I333 HydrophobicContact CG1-CD1 3.56Å; C289-I333 PolarHBondContact O-N 3.3Å; D291-I333 PolarHBondContact N-O 3.47Å
334G96.8Very high97.5Very high0 Ų05.9 Ų5.90%03%0.029CC..EExtended strand (participates in β ladder)trans-82.4148.9176.500000112.3F131 D291 D336 G337 T338F131-G334 VanDerWaalsContact CZ-O 3.29Å; F131-G334 WeakPolarHBondContact CZ-O 3.26Å; D291-G334 WeakPolarHBondContact O-CA 3.34Å; G334-D336 PolarHBondContact O-N 2.86Å; G334-G337 PolarHBondContact O-N 3.42Å; G334-T338 PolarHBondContact N-O 3.48Å
335E93.7Very high97.5Very high73 Ų736.6 Ų6.634%0.3413%0.033SC..THydrogen-bonded Turntrans-60.9-20.7177.5-70.8171.9-13800114.5F131 W239 D291 G337F131-E335 WeakPolarHBondContact CE2-O 3.46Å; W239-E335 HydrophobicContact CH2-CG 3.87Å; W239-E335 WeakPolarHBondContact CH2-OE1 3.49Å; W239-E335 HydrophobicContact CZ3-CG 4.42Å; D291-E335 PolarHBondContact O-N 3.39Å; E335-G337 VanDerWaalsContact C-N 3.29Å; E335-G337 PolarHBondContact O-N 3.27Å
336D91.8Very high97.4Very high35 Ų356.6 Ų6.619%0.1873%0.033CC..THydrogen-bonded Turntrans-89.69.4-177.567.7-12.4000113.9R128 P293 R305 G334 T338R128-D336 PolarHBondContact NE-O 3.19Å; R128-D336 PolarHBondContact NH2-O 3.49Å; R128-D336 VanDerWaalsContact NH2-O 3.14Å; P293-D336 HydrophobicContact CB-CB 4.35Å; R305-D336 IonicContact CZ-OD2 3.17Å; R305-D336 IonicContact NH1-OD2 3.92Å; R305-D336 PolarHBondContact NH1-OD2 2.97Å; R305-D336 IonicContact NH2-OD2 2.88Å; R305-D336 PolarHBondContact NH2-OD2 3.39Å; G334-D336 PolarHBondContact O-N 2.86Å; D336-T338 VanDerWaalsContact C-N 3.35Å; D336-T338 WeakPolarHBondContact OD1-CB 3.36Å; D336-T338 PolarHBondContact OD1-N 3.41Å; D336-T338 PolarHBondContact OD1-OG1 3.49Å; D336-T338 PolarHBondContact OD2-OG1 3.46Å
337G93.8Very high97.3Very high2 Ų27.1 Ų7.12%0.0214%0.036CC..SBendtrans90.4-4.5-174.600000114M129 G334 E335 C339M129-G337 WeakPolarHBondContact CB-O 3.46Å; M129-G337 PolarHBondContact N-O 2.87Å; M129-G337 WeakPolarHBondContact O-CA 3.25Å; G334-G337 PolarHBondContact O-N 3.42Å; E335-G337 VanDerWaalsContact C-N 3.29Å; E335-G337 PolarHBondContact O-N 3.27Å; G337-C339 PolarHBondContact O-N 2.94Å
338T95.1Very high97.2Very high0 Ų07.1 Ų7.10%04%0.036CC..  trans-65.2133.5177.8-600000110.7Y302 R305 V306 M310 G334 D336Y302-T338 PolarHBondContact OH-OG1 3.37Å; Y302-T338 VanDerWaalsContact OH-OG1 3.13Å; R305-T338 PolarHBondContact NH2-OG1 3.46Å; V306-T338 HydrophobicContact CB-CG2 4.11Å; V306-T338 HydrophobicContact CG1-CG2 3.58Å; V306-T338 HydrophobicContact CG2-CG2 3.57Å; M310-T338 HydrophobicContact CE-CG2 3.44Å; M310-T338 VanDerWaalsContact CE-CG2 3.44Å; G334-T338 PolarHBondContact N-O 3.48Å; D336-T338 VanDerWaalsContact C-N 3.35Å; D336-T338 WeakPolarHBondContact OD1-CB 3.36Å; D336-T338 PolarHBondContact OD1-N 3.41Å; D336-T338 PolarHBondContact OD1-OG1 3.49Å; D336-T338 PolarHBondContact OD2-OG1 3.46Å
339C96.2Very high97Very high1 Ų17.7 Ų7.71%0.0074%0.038CC..EExtended strand (participates in β ladder)trans-143.3150.3-179.1-1730000111.1L126 M129 F140 I332 G337L126-C339 HydrophobicContact CB-CB 4.44Å; L126-C339 WeakPolarHBondContact CB-O 3.48Å; L126-C339 PolarHBondContact N-O 3.45Å; M129-C339 HydrophobicContact CG-CB 4.04Å; F140-C339 HydrophobicContact CE1-CB 4.35Å; F140-C339 WeakPolarHBondContact CE1-SG 3.31Å; F140-C339 HydrophobicContact CZ-CB 4.48Å; I332-C339 WeakPolarHBondContact O-CA 3.28Å; G337-C339 PolarHBondContact O-N 2.94Å
340G98.1Very high96.8Very high0 Ų07.9 Ų7.90%04%0.041CC..EExtended strand (participates in β ladder)trans173.1-159.4176.800000112.3V124 M310 I332V124-G340 CarbonylContact O-C 3.55Å; V124-G340 WeakPolarHBondContact O-CA 3.22Å; M310-G340 WeakPolarHBondContact SD-CA 3.35Å; I332-G340 PolarHBondContact N-O 2.96Å; I332-G340 PolarHBondContact O-N 3.46Å
341L98.5Very high96.5Very high0 Ų010.5 Ų10.50%06%0.058CC..EExtended strand (participates in β ladder)trans-148.8165.6171.563.278.5000111.4G123 V124 Q330 F331 Y343 I353 I357G123-L341 CarbonylContact C-O 3.54Å; V124-L341 HydrophobicContact CB-CD1 4Å; V124-L341 HydrophobicContact CB-CG 4.07Å; V124-L341 HydrophobicContact CG2-CD1 3.68Å; V124-L341 HydrophobicContact CG2-CG 4.26Å; V124-L341 PolarHBondContact N-O 3.34Å; V124-L341 PolarHBondContact O-N 3.11Å; Q330-L341 CarbonylContact O-C 3.35Å; Q330-L341 WeakPolarHBondContact O-CA 3.36Å; Q330-L341 VanDerWaalsContact O-CB 3.22Å; Q330-L341 WeakPolarHBondContact O-CB 3.46Å; F331-L341 HydrophobicContact CD1-CB 4.03Å; F331-L341 HydrophobicContact CD1-CD2 3.99Å; F331-L341 HydrophobicContact CE1-CB 4.44Å; F331-L341 HydrophobicContact CE1-CD2 3.55Å; F331-L341 HydrophobicContact CZ-CD2 4.17Å; L341-Y343 HydrophobicContact CD1-CD1 4.01Å; L341-I353 HydrophobicContact CD1-CG2 3.9Å; L341-I353 HydrophobicContact CD2-CG2 4.15Å; L341-I357 HydrophobicContact CD2-CD1 3.78Å; L341-I357 HydrophobicContact CD2-CG1 3.78Å; L341-I357 HydrophobicContact CG-CD1 4.3Å
342V98.8Very high96.4Very high0 Ų010.3 Ų10.30%06%0.057CC..EExtended strand (participates in β ladder)trans-127138.8160.660.90000108.3T122 M310 Q330 I332T122-V342 WeakPolarHBondContact O-CA 3.34Å; M310-V342 WeakPolarHBondContact O-CB 3.49Å; Q330-V342 HydrophobicContact CB-CG1 3.83Å; Q330-V342 HydrophobicContact CG-CG1 4.37Å; Q330-V342 PolarHBondContact N-O 3.16Å; Q330-V342 PolarHBondContact O-N 3.15Å; I332-V342 HydrophobicContact CD1-CB 4.5Å; I332-V342 HydrophobicContact CD1-CG1 4.1Å
343Y98.8Very high96.3Very high3 Ų310.3 Ų10.31%0.0126%0.057CC..EExtended strand (participates in β ladder)trans-123.9144.1177.776.4-85.5000112.1S121 T122 T328 L341 H345 G350 I353 M566S121-Y343 VanDerWaalsContact CA-O 3.24Å; S121-Y343 WeakPolarHBondContact CA-O 3.43Å; S121-Y343 VanDerWaalsContact CB-O 3.32Å; S121-Y343 WeakPolarHBondContact CB-O 3.42Å; T122-Y343 HydrophobicContact CG2-CE1 3.65Å; T122-Y343 PolarHBondContact N-O 2.99Å; T122-Y343 VanDerWaalsContact N-O 3.11Å; T122-Y343 WeakPolarHBondContact O-CD1 3.49Å; T122-Y343 PolarHBondContact O-N 2.71Å; T328-Y343 CarbonylContact O-C 3.55Å; T328-Y343 WeakPolarHBondContact O-CA 3.25Å; T328-Y343 WeakPolarHBondContact O-CB 3.44Å; L341-Y343 HydrophobicContact CD1-CD1 4.01Å; Y343-H345 HydrophobicContact CE2-CB 4.46Å; Y343-G350 PolarHBondContact OH-N 2.96Å; Y343-I353 HydrophobicContact CD1-CB 4.49Å; Y343-I353 HydrophobicContact CD1-CG1 4Å; Y343-I353 HydrophobicContact CD1-CG2 4.02Å; Y343-I353 HydrophobicContact CD2-CD1 4.14Å; Y343-I353 HydrophobicContact CD2-CG1 3.89Å; Y343-I353 HydrophobicContact CE1-CB 4.43Å; Y343-I353 HydrophobicContact CE1-CG1 4.03Å; Y343-I353 HydrophobicContact CE1-CG2 4.29Å; Y343-I353 HydrophobicContact CE2-CG1 3.95Å; Y343-I353 HydrophobicContact CG-CD1 4.15Å; Y343-I353 HydrophobicContact CG-CG1 3.92Å; Y343-M566 HydrophobicContact CE1-CE 3.77Å; Y343-M566 HydrophobicContact CE1-SD 4.08Å
344E98.6Very high96.1Very high1 Ų110.7 Ų10.71%0.0056%0.059CC..  trans-78.3129.9170.5-157.6-81.4133.500108.6R183 T328 A346 P347R183-E344 HydrophobicContact CB-CG 4.21Å; R183-E344 VanDerWaalsContact CD-CD 3.5Å; R183-E344 VanDerWaalsContact CD-OE1 3.29Å; R183-E344 WeakPolarHBondContact CD-OE1 3.14Å; R183-E344 IonicContact CZ-OE1 2.67Å; R183-E344 IonicContact NH1-OE1 3.35Å; R183-E344 PolarHBondContact NH1-OE1 3.48Å; T328-E344 PolarHBondContact O-N 3.15Å; E344-A346 WeakPolarHBondContact OE1-CB 3.33Å; E344-A346 PolarHBondContact OE1-N 3.23Å; E344-A346 WeakPolarHBondContact OE2-CB 3.45Å; E344-P347 VanDerWaalsContact O-CD 3.26Å; E344-P347 WeakPolarHBondContact O-CD 3.43Å; E344-P347 VanDerWaalsContact OE2-CD 3.26Å; E344-P347 WeakPolarHBondContact OE2-CD 3.46Å
345H97.7Very high96.1Very high16 Ų1611.6 Ų11.67%0.0746%0.063CC..SBendtrans-84.4-18.8-161.5-154.4-32.3000113.8Y109 T120 T122 Y343 A348 E349 R466Y109-H345 HydrophobicContact CD1-CB 4.31Å; Y109-H345 HydrophobicContact CE1-CB 3.95Å; Y109-H345 AromaticContact CE1-CG 3.89Å; Y109-H345 AromaticContact CE1-ND1 3.93Å; T120-H345 HydrophobicContact CG2-CB 4.03Å; T120-H345 VanDerWaalsContact O-CB 3.29Å; T120-H345 WeakPolarHBondContact O-CB 3.39Å; T120-H345 PolarHBondContact O-CD2 2.84Å; T122-H345 PolarHBondContact OG1-CD2 2.86Å; Y343-H345 HydrophobicContact CE2-CB 4.46Å; H345-A348 PolarHBondContact ND1-O 3.42Å; H345-A348 VanDerWaalsContact ND1-O 3.12Å; H345-A348 PolarHBondContact O-N 2.91Å; H345-E349 IonicContact CE1-OE2 3.84Å; H345-E349 PolarHBondContact CE1-OE2 3.08Å; H345-E349 VanDerWaalsContact CE1-OE2 3.25Å; H345-R466 PolarHBondContact O-NH2 2.83Å; H345-R466 VanDerWaalsContact O-NH2 3.07Å
346A97.3Very high96.3Very high0 Ų08.1 Ų8.10%05%0.047CC..SBendtrans-59-40.4-175.900000113.1M105 Y109 V192 E344 R466M105-A346 HydrophobicContact CE-CB 3.55Å; M105-A346 HydrophobicContact SD-CB 3.92Å; Y109-A346 HydrophobicContact CD1-CB 4.46Å; Y109-A346 HydrophobicContact CD2-CB 4.38Å; Y109-A346 HydrophobicContact CG-CB 3.94Å; V192-A346 HydrophobicContact CG2-CB 3.94Å; E344-A346 WeakPolarHBondContact OE1-CB 3.33Å; E344-A346 PolarHBondContact OE1-N 3.23Å; E344-A346 WeakPolarHBondContact OE2-CB 3.45Å; A346-R466 PolarHBondContact O-NH1 3.11Å
347P96.9Very high96.6Very high10 Ų106.6 Ų6.67%0.0654%0.039CC..SBendtrans-76.5-28.6-178.1-21.737.8000114.9Q177 T181 V192 T328 E344Q177-P347 HydrophobicContact CB-CB 3.97Å; T181-P347 HydrophobicContact CG2-CB 4.34Å; T181-P347 HydrophobicContact CG2-CG 3.84Å; V192-P347 HydrophobicContact CG1-CG 4.11Å; T328-P347 HydrophobicContact CG2-CB 3.99Å; T328-P347 HydrophobicContact CG2-CG 3.67Å; E344-P347 VanDerWaalsContact O-CD 3.26Å; E344-P347 WeakPolarHBondContact O-CD 3.43Å; E344-P347 VanDerWaalsContact OE2-CD 3.26Å; E344-P347 WeakPolarHBondContact OE2-CD 3.46Å
348A96.3Very high96.7Very high1 Ų17.9 Ų7.91%0.0085%0.046CC..  trans-156.6161.5-17300000114.1Q174 I178 H345 P352Q174-A348 HydrophobicContact CB-CB 4.05Å; I178-A348 HydrophobicContact CG2-CB 3.38Å; H345-A348 PolarHBondContact ND1-O 3.42Å; H345-A348 VanDerWaalsContact ND1-O 3.12Å; H345-A348 PolarHBondContact O-N 2.91Å; A348-P352 HydrophobicContact CB-CB 4.46Å
349E95.7Very high96.8Very high13 Ų1310.1 Ų10.16%0.0615%0.054CC..  trans-89.2176.4171.4-56.5-5914400112.3Y109 H345 P352 I353 R466 T467Y109-E349 PolarHBondContact OH-OE1 3.45Å; H345-E349 IonicContact CE1-OE2 3.84Å; H345-E349 PolarHBondContact CE1-OE2 3.08Å; H345-E349 VanDerWaalsContact CE1-OE2 3.25Å; E349-P352 VanDerWaalsContact O-CD 3.31Å; E349-P352 WeakPolarHBondContact O-CD 3.36Å; E349-I353 WeakPolarHBondContact O-CG1 3.45Å; E349-R466 IonicContact OE1-CZ 3.58Å; E349-R466 IonicContact OE1-NE 2.77Å; E349-R466 PolarHBondContact OE1-NE 2.89Å; E349-R466 IonicContact OE1-NH2 3.5Å; E349-R466 PolarHBondContact OE1-NH2 3.33Å; E349-T467 HydrophobicContact CG-CG2 3.66Å; E349-T467 VanDerWaalsContact OE2-CG2 3.27Å; E349-T467 WeakPolarHBondContact OE2-CG2 3.46Å
350G93.8Very high96.9Very high6 Ų610.3 Ų10.36%0.0626%0.055CC..Hα-helixtrans-56.2-43.4176.400000116.1Y343 I353 V354Y343-G350 PolarHBondContact OH-N 2.96Å; G350-I353 WeakPolarHBondContact O-CA 3.24Å; G350-I353 WeakPolarHBondContact O-CB 3.43Å; G350-I353 PolarHBondContact O-N 3Å; G350-V354 PolarHBondContact O-N 3.38Å
351P92.9Very high96.8Very high55 Ų5511.9 Ų11.936%0.3577%0.065SC..Hα-helixtrans-59.6-42.9-174.4-24.733.3000115.3I353 V354 F355P351-I353 VanDerWaalsContact C-N 3.3Å; P351-I353 PolarHBondContact O-N 2.73Å; P351-V354 WeakPolarHBondContact O-CG2 3.45Å; P351-F355 WeakPolarHBondContact O-CB 3.46Å; P351-F355 PolarHBondContact O-N 3.43Å; P351-F355 VanDerWaalsContact O-N 3.09Å
352P95.6Very high96.6Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-57.4-39.1169.3-28.935.4000114.8Q174 Y175 A348 E349 L356Q174-P352 HydrophobicContact CB-CB 4.4Å; Q174-P352 HydrophobicContact CB-CG 3.73Å; Y175-P352 HydrophobicContact CD1-CB 3.93Å; Y175-P352 HydrophobicContact CE1-CB 3.67Å; Y175-P352 HydrophobicContact CE1-CG 4.45Å; Y175-P352 WeakPolarHBondContact CE1-O 3.5Å; Y175-P352 HydrophobicContact CE2-CB 4.45Å; Y175-P352 HydrophobicContact CE2-CG 4.43Å; Y175-P352 HydrophobicContact CG-CB 4.43Å; A348-P352 HydrophobicContact CB-CB 4.46Å; E349-P352 VanDerWaalsContact O-CD 3.31Å; E349-P352 WeakPolarHBondContact O-CD 3.36Å; P352-L356 PolarHBondContact O-N 3.12Å; P352-L356 VanDerWaalsContact O-N 3.11Å
353I97.9Very high96.5Very high0 Ų021.4 Ų21.40%011%0.105CC..Hα-helixtrans-67.9-47.8-179.2-56.5-55.4000111.2I178 L329 L341 Y343 E349 G350 P351 F355 L356 I357I178-I353 HydrophobicContact CG2-CD1 3.87Å; L329-I353 HydrophobicContact CD2-CD1 3.9Å; L341-I353 HydrophobicContact CD1-CG2 3.9Å; L341-I353 HydrophobicContact CD2-CG2 4.15Å; Y343-I353 HydrophobicContact CD1-CB 4.49Å; Y343-I353 HydrophobicContact CD1-CG1 4Å; Y343-I353 HydrophobicContact CD1-CG2 4.02Å; Y343-I353 HydrophobicContact CD2-CD1 4.14Å; Y343-I353 HydrophobicContact CD2-CG1 3.89Å; Y343-I353 HydrophobicContact CE1-CB 4.43Å; Y343-I353 HydrophobicContact CE1-CG1 4.03Å; Y343-I353 HydrophobicContact CE1-CG2 4.29Å; Y343-I353 HydrophobicContact CE2-CG1 3.95Å; Y343-I353 HydrophobicContact CG-CD1 4.15Å; Y343-I353 HydrophobicContact CG-CG1 3.92Å; E349-I353 WeakPolarHBondContact O-CG1 3.45Å; G350-I353 WeakPolarHBondContact O-CA 3.24Å; G350-I353 WeakPolarHBondContact O-CB 3.43Å; G350-I353 PolarHBondContact O-N 3Å; P351-I353 VanDerWaalsContact C-N 3.3Å; P351-I353 PolarHBondContact O-N 2.73Å; I353-F355 VanDerWaalsContact C-N 3.29Å; I353-F355 PolarHBondContact O-N 2.76Å; I353-L356 WeakPolarHBondContact O-CB 3.49Å; I353-L356 PolarHBondContact O-N 2.88Å; I353-I357 HydrophobicContact CG2-CD1 4.17Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.91Å
354V94.9Very high96.2Very high8 Ų822.6 Ų22.65%0.04811%0.111CC..Hα-helixtrans-69.5-28178.8-65.30000113.2G350 P351 I357 D358 V558 M566G350-V354 PolarHBondContact O-N 3.38Å; P351-V354 WeakPolarHBondContact O-CG2 3.45Å; V354-I357 HydrophobicContact CG1-CD1 4.49Å; V354-I357 PolarHBondContact O-N 3.35Å; V354-D358 WeakPolarHBondContact O-CB 3.4Å; V354-D358 PolarHBondContact O-N 3.29Å; V354-V558 HydrophobicContact CB-CG1 4.24Å; V354-V558 HydrophobicContact CG1-CG1 3.29Å; V354-V558 HydrophobicContact CG2-CG1 3.98Å; V354-M566 HydrophobicContact CG1-CE 4.09Å
355F95.8Very high95.8Very high19 Ų1929.8 Ų29.88%0.08315%0.145CC..Hα-helixtrans-64.9-42.4170.7179.8-86.3000111.9Q26 F151 L160 Q163 Y175 P351 I353 Y359Q26-F355 HydrophobicContact CG-CE2 4.17Å; F151-F355 AromaticContact CE2-CD1 3.59Å; F151-F355 HydrophobicContact CE2-CD1 3.59Å; F151-F355 AromaticContact CE2-CE1 3.55Å; F151-F355 HydrophobicContact CE2-CE1 3.55Å; F151-F355 AromaticContact CZ-CD1 3.96Å; F151-F355 HydrophobicContact CZ-CD1 3.96Å; F151-F355 HydrophobicContact CZ-CE1 4.08Å; L160-F355 HydrophobicContact CD1-CE1 3.88Å; L160-F355 HydrophobicContact CD1-CZ 4.45Å; L160-F355 HydrophobicContact CG-CE1 4.36Å; Q163-F355 HydrophobicContact CG-CE2 4.47Å; Q163-F355 VanDerWaalsContact NE2-CE2 3.29Å; Y175-F355 HydrophobicContact CD1-CD1 4.39Å; Y175-F355 HydrophobicContact CE1-CB 3.91Å; Y175-F355 AromaticContact CE1-CD1 3.54Å; Y175-F355 HydrophobicContact CE1-CD1 3.54Å; Y175-F355 HydrophobicContact CE1-CE1 4.28Å; Y175-F355 AromaticContact CE1-CG 3.91Å; Y175-F355 HydrophobicContact CE1-CG 3.91Å; Y175-F355 WeakPolarHBondContact OH-CB 3.42Å; P351-F355 WeakPolarHBondContact O-CB 3.46Å; P351-F355 PolarHBondContact O-N 3.43Å; P351-F355 VanDerWaalsContact O-N 3.09Å; I353-F355 VanDerWaalsContact C-N 3.29Å; I353-F355 PolarHBondContact O-N 2.76Å; F355-Y359 WeakPolarHBondContact O-CB 3.26Å; F355-Y359 PolarHBondContact O-N 2.93Å
356L97.9Very high95.4Very high0 Ų034.7 Ų34.70%016%0.163CC..Hα-helixtrans-60.1-46.1172168.564000110.7F151 I178 L329 F331 P352 I353 Y359 V360F151-L356 HydrophobicContact CB-CD1 3.85Å; F151-L356 HydrophobicContact CD1-CD1 3.61Å; F151-L356 HydrophobicContact CD2-CD1 3.8Å; F151-L356 HydrophobicContact CE1-CD1 4.05Å; F151-L356 HydrophobicContact CE2-CB 4.36Å; F151-L356 HydrophobicContact CE2-CD1 4.19Å; F151-L356 HydrophobicContact CG-CD1 3.47Å; F151-L356 VanDerWaalsContact CG-CD1 3.47Å; F151-L356 HydrophobicContact CZ-CB 4.3Å; F151-L356 HydrophobicContact CZ-CD1 4.33Å; I178-L356 HydrophobicContact CD1-CD2 4.09Å; L329-L356 HydrophobicContact CD1-CD2 3.76Å; F331-L356 HydrophobicContact CZ-CD2 4.07Å; P352-L356 PolarHBondContact O-N 3.12Å; P352-L356 VanDerWaalsContact O-N 3.11Å; I353-L356 WeakPolarHBondContact O-CB 3.49Å; I353-L356 PolarHBondContact O-N 2.88Å; L356-Y359 WeakPolarHBondContact O-CB 3.03Å; L356-Y359 PolarHBondContact O-N 2.88Å; L356-V360 HydrophobicContact CD1-CG2 3.73Å; L356-V360 HydrophobicContact CG-CG2 4.38Å; L356-V360 VanDerWaalsContact O-CG2 3.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.33Å; L356-V360 PolarHBondContact O-N 2.96Å
357I97.3Very high94.7Very high3 Ų339.9 Ų39.92%0.01520%0.196CC..Hα-helixtrans-58.1-53.3177.5-70169.8000111V124 L126 L341 I353 V354 Y359 V360 V361 T562V124-I357 HydrophobicContact CB-CD1 4.24Å; V124-I357 HydrophobicContact CG1-CD1 3.72Å; V124-I357 HydrophobicContact CG2-CD1 4.31Å; L126-I357 HydrophobicContact CD2-CD1 4.5Å; L126-I357 HydrophobicContact CD2-CG2 3.55Å; L341-I357 HydrophobicContact CD2-CD1 3.78Å; L341-I357 HydrophobicContact CD2-CG1 3.78Å; L341-I357 HydrophobicContact CG-CD1 4.3Å; I353-I357 HydrophobicContact CG2-CD1 4.17Å; I353-I357 WeakPolarHBondContact O-CG1 3.43Å; I353-I357 PolarHBondContact O-N 2.91Å; V354-I357 HydrophobicContact CG1-CD1 4.49Å; V354-I357 PolarHBondContact O-N 3.35Å; I357-Y359 PolarHBondContact O-N 2.73Å; I357-V360 PolarHBondContact O-N 3.22Å; I357-V360 VanDerWaalsContact O-N 3.14Å; I357-V361 HydrophobicContact CG2-CG2 4.11Å; I357-V361 WeakPolarHBondContact O-CB 3.38Å; I357-V361 WeakPolarHBondContact O-CG2 3.37Å; I357-V361 PolarHBondContact O-N 3.17Å; I357-T562 HydrophobicContact CG2-CG2 4.18Å
358D97.1Very high93.6Very high30 Ų3043 Ų4316%0.1621%0.21CC..Hα-helixtrans-57.2-38.9-179.9-78.1-12.4000111.4V354 K362 S560 K561 T562V354-D358 WeakPolarHBondContact O-CB 3.4Å; V354-D358 PolarHBondContact O-N 3.29Å; D358-K362 VanDerWaalsContact O-CB 3.27Å; D358-K362 WeakPolarHBondContact O-CB 3.39Å; D358-K362 PolarHBondContact O-N 3.06Å; D358-K362 VanDerWaalsContact O-N 3.13Å; D358-S560 PolarHBondContact OD1-OG 2.94Å; D358-K561 PolarHBondContact OD1-N 3.12Å; D358-K561 VanDerWaalsContact OD1-N 3.13Å; D358-K561 WeakPolarHBondContact OD2-CB 3.26Å; D358-K561 PolarHBondContact OD2-N 2.88Å; D358-T562 VanDerWaalsContact OD1-CB 3.29Å; D358-T562 WeakPolarHBondContact OD1-CB 3.26Å; D358-T562 PolarHBondContact OD1-N 3.32Å; D358-T562 PolarHBondContact OD1-OG1 3.02Å
359Y97.3Very high92.1Very high47 Ų4751.3 Ų51.318%0.18425%0.251CS..Hα-helixtrans-65-50.5175.9-171.6-87.9000111.9D150 F151 M154 F355 L356 I357 K362 Y363D150-Y359 HydrophobicContact CB-CE1 4.45Å; D150-Y359 WeakPolarHBondContact OD2-CE1 3.37Å; D150-Y359 PolarHBondContact OD2-OH 3.13Å; F151-Y359 HydrophobicContact CB-CD1 3.95Å; F151-Y359 HydrophobicContact CB-CE1 4.18Å; F151-Y359 AromaticContact CD2-CD1 3.81Å; F151-Y359 HydrophobicContact CD2-CD1 3.81Å; F151-Y359 HydrophobicContact CD2-CD2 4.42Å; F151-Y359 HydrophobicContact CD2-CE1 4.49Å; F151-Y359 AromaticContact CD2-CG 3.78Å; F151-Y359 HydrophobicContact CD2-CG 3.78Å; F151-Y359 HydrophobicContact CG-CD1 4.41Å; M154-Y359 HydrophobicContact CE-CD1 4.32Å; M154-Y359 HydrophobicContact CE-CD2 3.8Å; M154-Y359 HydrophobicContact CE-CE1 3.86Å; M154-Y359 HydrophobicContact CE-CE2 3.26Å; M154-Y359 HydrophobicContact CE-CG 4.3Å; M154-Y359 HydrophobicContact SD-CE2 4.1Å; F355-Y359 WeakPolarHBondContact O-CB 3.26Å; F355-Y359 PolarHBondContact O-N 2.93Å; L356-Y359 WeakPolarHBondContact O-CB 3.03Å; L356-Y359 PolarHBondContact O-N 2.88Å; I357-Y359 PolarHBondContact O-N 2.73Å; Y359-K362 PolarHBondContact O-N 2.95Å; Y359-Y363 WeakPolarHBondContact O-CB 3.39Å; Y359-Y363 PolarHBondContact O-N 3.42Å
360V97.4Very high90.6Very high4 Ų455.4 Ų55.42%0.02428%0.276CS..Hα-helixtrans-66.3-43.8-176.9173.70000110.8L144 V148 L356 I357 K362 Y363 M364L144-V360 HydrophobicContact CG-CG1 4.19Å; V148-V360 HydrophobicContact CG2-CG1 4.36Å; V148-V360 HydrophobicContact CG2-CG2 3.75Å; L356-V360 HydrophobicContact CD1-CG2 3.73Å; L356-V360 HydrophobicContact CG-CG2 4.38Å; L356-V360 VanDerWaalsContact O-CG2 3.26Å; L356-V360 WeakPolarHBondContact O-CG2 3.33Å; L356-V360 PolarHBondContact O-N 2.96Å; I357-V360 PolarHBondContact O-N 3.22Å; I357-V360 VanDerWaalsContact O-N 3.14Å; V360-K362 VanDerWaalsContact C-N 3.33Å; V360-K362 PolarHBondContact O-N 2.91Å; V360-Y363 WeakPolarHBondContact O-CB 3.49Å; V360-Y363 PolarHBondContact O-N 3.05Å; V360-Y363 VanDerWaalsContact O-N 3.09Å; V360-M364 HydrophobicContact CG1-CE 4.31Å; V360-M364 HydrophobicContact CG1-CG 4.43Å; V360-M364 HydrophobicContact CG1-SD 4.45Å; V360-M364 WeakPolarHBondContact O-CG 3.43Å; V360-M364 PolarHBondContact O-N 2.93Å
361V95.9Very high89.3Confident33 Ų3365.9 Ų65.920%0.231%0.314CS..Hα-helixtrans-59.1-45.6175.81710000110.8I357 Y363 M364 Q365 T562I357-V361 HydrophobicContact CG2-CG2 4.11Å; I357-V361 WeakPolarHBondContact O-CB 3.38Å; I357-V361 WeakPolarHBondContact O-CG2 3.37Å; I357-V361 PolarHBondContact O-N 3.17Å; V361-Y363 VanDerWaalsContact C-N 3.32Å; V361-Y363 PolarHBondContact O-N 3.23Å; V361-M364 HydrophobicContact CG2-CE 4.2Å; V361-M364 PolarHBondContact O-N 3.18Å; V361-Q365 PolarHBondContact O-N 3.2Å; V361-T562 HydrophobicContact CG1-CG2 4.37Å; V361-T562 HydrophobicContact CG2-CG2 4Å
362K95.7Very high87.9Confident142 Ų14265 Ų6562%0.61731%0.309SS*.Hα-helixtrans-63.5-37.6174.6-175.9178.4179.9-1780112.3D358 Y359 V360 Q365D358-K362 VanDerWaalsContact O-CB 3.27Å; D358-K362 WeakPolarHBondContact O-CB 3.39Å; D358-K362 PolarHBondContact O-N 3.06Å; D358-K362 VanDerWaalsContact O-N 3.13Å; Y359-K362 PolarHBondContact O-N 2.95Å; V360-K362 VanDerWaalsContact C-N 3.33Å; V360-K362 PolarHBondContact O-N 2.91Å; K362-Q365 PolarHBondContact O-N 2.83Å
363Y94.9Very high86.5Confident58 Ų5870.3 Ų70.323%0.22734%0.343CS..Hα-helixtrans-62.8-44.5176.9-178.5-82.3000111.4A146 D150 Y359 V360 V361 Q365 R366A146-Y363 HydrophobicContact CB-CE1 4.06Å; D150-Y363 HydrophobicContact CB-CD2 4.02Å; D150-Y363 HydrophobicContact CB-CE2 3.66Å; D150-Y363 WeakPolarHBondContact OD2-CD2 3.37Å; Y359-Y363 WeakPolarHBondContact O-CB 3.39Å; Y359-Y363 PolarHBondContact O-N 3.42Å; V360-Y363 WeakPolarHBondContact O-CB 3.49Å; V360-Y363 PolarHBondContact O-N 3.05Å; V360-Y363 VanDerWaalsContact O-N 3.09Å; V361-Y363 VanDerWaalsContact C-N 3.32Å; V361-Y363 PolarHBondContact O-N 3.23Å; Y363-Q365 PolarHBondContact O-N 2.85Å; Y363-Q365 VanDerWaalsContact O-N 3.15Å; Y363-R366 VanDerWaalsContact O-CB 3.31Å; Y363-R366 WeakPolarHBondContact O-CB 3.41Å; Y363-R366 WeakPolarHBondContact O-CG 3.39Å; Y363-R366 PolarHBondContact O-N 3.32Å
364M93.2Very high85Confident29 Ų2977.2 Ų77.214%0.14338%0.378CS..Hα-helixtrans-64.1-19.9-177.9-68.1-169.8-65.400113.9F140 K143 L144 V360 V361 R366F140-M364 HydrophobicContact CD2-SD 4.26Å; F140-M364 HydrophobicContact CE2-CE 3.83Å; F140-M364 HydrophobicContact CE2-SD 3.69Å; F140-M364 HydrophobicContact CZ-CE 3.99Å; F140-M364 HydrophobicContact CZ-SD 4.04Å; K143-M364 HydrophobicContact CB-CG 4Å; K143-M364 HydrophobicContact CB-SD 4.32Å; L144-M364 HydrophobicContact CB-SD 3.89Å; V360-M364 HydrophobicContact CG1-CE 4.31Å; V360-M364 HydrophobicContact CG1-CG 4.43Å; V360-M364 HydrophobicContact CG1-SD 4.45Å; V360-M364 WeakPolarHBondContact O-CG 3.43Å; V360-M364 PolarHBondContact O-N 2.93Å; V361-M364 HydrophobicContact CG2-CE 4.2Å; V361-M364 PolarHBondContact O-N 3.18Å; M364-R366 VanDerWaalsContact C-N 3.32Å
365Q91.2Very high84.3Confident152 Ų15281.1 Ų81.171%0.7140%0.401SS*.THydrogen-bonded Turntrans-78.9-11.9174.9-66.4172.8-7.600113.4V361 K362 Y363V361-Q365 PolarHBondContact O-N 3.2Å; K362-Q365 PolarHBondContact O-N 2.83Å; Y363-Q365 PolarHBondContact O-N 2.85Å; Y363-Q365 VanDerWaalsContact O-N 3.15Å
366R89.1Confident83.7Confident119 Ų11986.2 Ų86.245%0.44944%0.436SS..SBendtrans-68.8140.1179.9-64.2178.7-175.6173.75.9110.4D150 Y363 M364D150-R366 IonicContact OD2-NH1 3.72Å; Y363-R366 VanDerWaalsContact O-CB 3.31Å; Y363-R366 WeakPolarHBondContact O-CB 3.41Å; Y363-R366 WeakPolarHBondContact O-CG 3.39Å; Y363-R366 PolarHBondContact O-N 3.32Å; M364-R366 VanDerWaalsContact C-N 3.32Å
367P81.6Confident83.3Confident108 Ų10887.6 Ų87.670%0.70144%0.443SS*.  trans-64.1141.4171.327.7-33000109.7M369P367-M369 PolarHBondContact O-N 2.66Å
368E75.1Confident83.1Confident77 Ų7791.9 Ų91.936%0.3647%0.472SS..  trans-74113178.2-65.6174.9-162.700109.3R139 K143R139-E368 IonicContact CZ-OE1 3.56Å; R139-E368 IonicContact CZ-OE2 3.63Å; R139-E368 IonicContact NE-OE1 3.02Å; R139-E368 PolarHBondContact NE-OE1 3.35Å; R139-E368 IonicContact NE-OE2 3.87Å; R139-E368 VanDerWaalsContact NH2-CD 3.35Å; R139-E368 IonicContact NH2-OE1 3.04Å; R139-E368 PolarHBondContact NH2-OE1 2.97Å; R139-E368 IonicContact NH2-OE2 3.02Å; R139-E368 PolarHBondContact NH2-OE2 2.67Å; K143-E368 WeakPolarHBondContact CE-OE1 3.49Å; K143-E368 IonicContact NZ-OE1 3.36Å; K143-E368 PolarHBondContact NZ-OE1 3.07Å
369M63.6Low83.1Confident174 Ų17495.5 Ų95.586%0.85749%0.489SS*.  trans-92.2-17.1-173.5-66.3-175.668.200113.9P367P367-M369 PolarHBondContact O-N 2.66Å
370V65.1Low83.1Confident99 Ų9993.7 Ų93.760%0.648%0.483SS*.  trans-130.9108.1-170.9-174.70000110.1
371R65.6Low83.2Confident227 Ų22799.5 Ų99.586%0.85751%0.51SS*.PPolyproline II helixtrans-84.1117159.3-73.4-172.5177.8-178.50107.6
372S64.1Low83.3Confident36 Ų36101.3 Ų101.325%0.25252%0.515SS..PPolyproline II helixtrans-88.9147.7179-71.10000111.3T227 M374T227-S372 WeakPolarHBondContact CG2-OG 3.41Å; S372-M374 PolarHBondContact O-N 2.7Å
373P66.2Low83.4Confident111 Ų11195 Ų9572%0.72149%0.488SS*.PPolyproline II helixtrans-57.7132.3169.41.73.5000109.5V375P373-V375 PolarHBondContact O-N 3.12Å
374M66.6Low83.6Confident146 Ų146100.7 Ų100.772%0.71951%0.509SS*.  trans-70.693.7178.4-78.3175.558.700110.1M233 S372M233-M374 HydrophobicContact CE-CE 3.43Å; M233-M374 VanDerWaalsContact CE-CE 3.43Å; M233-M374 HydrophobicContact SD-CE 3.5Å; M233-M374 VanDerWaalsContact SD-CE 3.5Å; M233-M374 HydrophobicContact SD-CG 4.14Å; M233-M374 HydrophobicContact SD-SD 4.18Å; S372-M374 PolarHBondContact O-N 2.7Å
375V79.2Confident83.8Confident90 Ų90101.1 Ų101.155%0.54551%0.51SS..PPolyproline II helixtrans-81.7139168-174.70000108.8P373 L377P373-V375 PolarHBondContact O-N 3.12Å; V375-L377 PolarHBondContact O-N 3.41Å; V375-L377 VanDerWaalsContact O-N 3.1Å
376P83.6Confident84.2Confident126 Ų12697.3 Ų97.382%0.81850%0.495SS*.PPolyproline II helixtrans-57.1116.3174.7-24.734.2000111.7
377L89.8Confident84.6Confident29 Ų2994.8 Ų94.815%0.15249%0.489CS..PPolyproline II helixtrans-96.6142.9175.4-67.8177.1000111.5L226 Q230 Q234 K237 V375L226-L377 HydrophobicContact CD1-CD1 4.35Å; L226-L377 HydrophobicContact CD2-CD1 4.27Å; L226-L377 HydrophobicContact CD2-CD2 4.16Å; Q230-L377 HydrophobicContact CB-CD1 3.72Å; Q230-L377 HydrophobicContact CG-CD1 3.9Å; Q234-L377 HydrophobicContact CG-CB 4.5Å; Q234-L377 HydrophobicContact CG-CD1 3.86Å; Q234-L377 VanDerWaalsContact OE1-CB 3.31Å; K237-L377 PolarHBondContact NZ-O 2.76Å; V375-L377 PolarHBondContact O-N 3.41Å; V375-L377 VanDerWaalsContact O-N 3.1Å
378P92.9Very high85.4Confident93 Ų9392.5 Ų92.560%0.60447%0.473SS*.PPolyproline II helixtrans-61.9155.3178.527.4-34.8000111.7Q234Q234-P378 PolarHBondContact NE2-O 2.91Å; Q234-P378 PolarHBondContact OE1-O 3.16Å
379M96.9Very high86.5Confident106 Ų10693.6 Ų93.652%0.52249%0.487SS..PPolyproline II helixtrans-66.8128.7176.2-171.565.3-179.500110.2K237 S241 Q381K237-M379 HydrophobicContact CB-CE 3.95Å; K237-M379 HydrophobicContact CB-SD 3.84Å; K237-M379 HydrophobicContact CD-SD 3.86Å; K237-M379 HydrophobicContact CG-SD 4.09Å; S241-M379 WeakPolarHBondContact OG-CE 3.42Å; M379-Q381 PolarHBondContact O-N 3.19Å
380P98.1Very high88.1Confident9 Ų989.3 Ų89.36%0.05847%0.465CS..PPolyproline II helixtrans-53.8129.1173.3-30.639.6000111.8V215 L216 Q234 I238 K382V215-P380 WeakPolarHBondContact O-CA 3.44Å; V215-P380 WeakPolarHBondContact O-CB 3.4Å; L216-P380 HydrophobicContact CD1-CG 4.27Å; Q234-P380 HydrophobicContact CB-CG 4.19Å; I238-P380 HydrophobicContact CD1-CB 3.79Å; I238-P380 HydrophobicContact CD1-CG 3.94Å; I238-P380 HydrophobicContact CG1-CB 3.57Å; I238-P380 HydrophobicContact CG1-CG 3.77Å; P380-K382 PolarHBondContact O-N 2.84Å
381Q98.3Very high89.7Confident126 Ų12684.9 Ų84.959%0.58944%0.438SS*.EExtended strand (participates in β ladder)trans-72.9117.2-174.7177.1-171.8-4.200110F214 V215 M379 L383F214-Q381 CarbonylContact C-O 3.48Å; F214-Q381 VanDerWaalsContact CA-O 3.28Å; F214-Q381 WeakPolarHBondContact CA-O 3.24Å; V215-Q381 HydrophobicContact CB-CB 4.24Å; V215-Q381 PolarHBondContact N-O 3.21Å; V215-Q381 PolarHBondContact O-N 3.19Å; M379-Q381 PolarHBondContact O-N 3.19Å; Q381-L383 PolarHBondContact O-N 3.08Å
382K98.6Very high91.3Very high71 Ų7177 Ų7731%0.30941%0.41SS..EExtended strand (participates in β ladder)trans-69.8123.6171.4-170.5171-175.11680110.3F214 S241 P380 R384F214-K382 HydrophobicContact CD1-CB 3.84Å; F214-K382 HydrophobicContact CD1-CG 4.2Å; F214-K382 HydrophobicContact CE1-CB 3.59Å; F214-K382 HydrophobicContact CE1-CD 4Å; F214-K382 HydrophobicContact CE1-CG 3.7Å; F214-K382 HydrophobicContact CZ-CB 4.34Å; F214-K382 HydrophobicContact CZ-CD 3.99Å; F214-K382 HydrophobicContact CZ-CG 3.92Å; S241-K382 PolarHBondContact O-NZ 2.93Å; P380-K382 PolarHBondContact O-N 2.84Å; K382-R384 PolarHBondContact O-N 3.25Å
383L98.7Very high93Very high9 Ų981.9 Ų81.95%0.04742%0.423CS..PPolyproline II helixtrans-81.4116174.7-62.2-176.7000109.1T206 F213 V215 A280 I281 Q381T206-L383 HydrophobicContact CG2-CD1 4.21Å; F213-L383 HydrophobicContact CB-CB 4.03Å; F213-L383 HydrophobicContact CB-CD1 3.98Å; F213-L383 HydrophobicContact CB-CG 4.41Å; F213-L383 WeakPolarHBondContact O-CB 3.32Å; F213-L383 PolarHBondContact O-N 3.04Å; V215-L383 HydrophobicContact CG2-CD1 4.04Å; V215-L383 HydrophobicContact CG2-CD2 3.68Å; V215-L383 HydrophobicContact CG2-CG 4.03Å; A280-L383 HydrophobicContact CB-CD1 3.9Å; A280-L383 HydrophobicContact CB-CD2 3.92Å; I281-L383 HydrophobicContact CD1-CD1 4.36Å; I281-L383 HydrophobicContact CG1-CD1 3.8Å; Q381-L383 PolarHBondContact O-N 3.08Å
384R97.6Very high94.5Very high178 Ų17877.9 Ų77.967%0.67240%0.395SS*.PPolyproline II helixtrans-98.4142.5-175.2-66.7-177-179166.20.4110.1T273 S277 K382T273-R384 HydrophobicContact CG2-CB 4.16Å; S277-R384 PolarHBondContact OG-N 3.11Å; S277-R384 PolarHBondContact OG-O 3.41Å; K382-R384 PolarHBondContact O-N 3.25Å
385F98.4Very high96.1Very high37 Ų3771 Ų7116%0.16236%0.361CS..  trans-120.8121.7173.7-68.9-87.3000110.4F213 I250 L268 N274 V278 I281 I387F213-F385 HydrophobicContact CD2-CE2 4.23Å; I250-F385 HydrophobicContact CB-CD2 4.46Å; I250-F385 HydrophobicContact CB-CG 4.39Å; I250-F385 HydrophobicContact CG1-CB 4.48Å; I250-F385 HydrophobicContact CG1-CD1 3.87Å; I250-F385 HydrophobicContact CG1-CD2 4.48Å; I250-F385 HydrophobicContact CG1-CE1 4.14Å; I250-F385 HydrophobicContact CG1-CG 4.03Å; I250-F385 HydrophobicContact CG2-CD1 4.49Å; I250-F385 HydrophobicContact CG2-CD2 3.7Å; I250-F385 HydrophobicContact CG2-CE1 4.48Å; I250-F385 HydrophobicContact CG2-CE2 3.71Å; I250-F385 HydrophobicContact CG2-CG 4.09Å; I250-F385 HydrophobicContact CG2-CZ 4.1Å; L268-F385 HydrophobicContact CD1-CD1 4.12Å; L268-F385 HydrophobicContact CD2-CE1 4.43Å; N274-F385 HydrophobicContact CB-CD1 4.3Å; N274-F385 WeakPolarHBondContact OD1-CA 3.32Å; V278-F385 HydrophobicContact CG2-CE1 3.93Å; V278-F385 HydrophobicContact CG2-CZ 4.49Å; I281-F385 HydrophobicContact CD1-CZ 3.99Å; F385-I387 HydrophobicContact CB-CD1 3.96Å; F385-I387 PolarHBondContact O-N 3.09Å
386N98.3Very high97Very high73 Ų7369.8 Ų69.839%0.3935%0.35SS..  trans-77.9110.1170.2-70.9-18.8000108.5D271 N274 I391D271-N386 PolarHBondContact OD1-ND2 2.7Å; D271-N386 PolarHBondContact OD2-ND2 3.3Å; N274-N386 PolarHBondContact ND2-O 3.3Å; N274-N386 PolarHBondContact OD1-N 3.4Å; N386-I391 WeakPolarHBondContact O-CD1 3.38Å
387I98.1Very high97.7Very high66 Ų6669.1 Ų69.134%0.33833%0.334SS..  trans-93.5110.9-176.8-51.5-56.1000109.5E248 I250 F385 I391 K392 I395E248-I387 HydrophobicContact CB-CD1 4.39Å; E248-I387 HydrophobicContact CB-CG1 4.27Å; E248-I387 HydrophobicContact CG-CG1 4.27Å; E248-I387 HydrophobicContact CG-CG2 4.4Å; I250-I387 HydrophobicContact CD1-CD1 4.09Å; F385-I387 HydrophobicContact CB-CD1 3.96Å; F385-I387 PolarHBondContact O-N 3.09Å; I387-I391 HydrophobicContact CD1-CG2 4.08Å; I387-I391 HydrophobicContact CG2-CG2 4.33Å; I387-K392 HydrophobicContact CG2-CB 3.97Å; I387-I395 HydrophobicContact CD1-CD1 4.38Å
388T98.3Very high98.1Very high60 Ų6067.8 Ų67.837%0.36833%0.327SS..  trans-87.1164.5170.669.20000110.5E390 I391 K392T388-E390 PolarHBondContact O-N 3.18Å; T388-E390 PolarHBondContact OG1-N 2.62Å; T388-I391 HydrophobicContact CG2-CD1 4.28Å; T388-I391 PolarHBondContact O-N 2.96Å; T388-I391 WeakPolarHBondContact OG1-CG1 3.38Å; T388-I391 PolarHBondContact OG1-N 2.87Å; T388-K392 WeakPolarHBondContact O-CB 3.08Å; T388-K392 PolarHBondContact O-N 3.18Å
389P98.5Very high98.4Very high100 Ų10065.2 Ų65.265%0.64931%0.306SS*.Hα-helixtrans-56.2-30.6173.4-27.335.9000113.6R393P389-R393 WeakPolarHBondContact O-CG 3.25Å; P389-R393 PolarHBondContact O-N 2.89Å; P389-R393 VanDerWaalsContact O-N 3.13Å
390E98.3Very high98.5Very high84 Ų8466 Ų6639%0.39331%0.309SS..Hα-helixtrans-71.9-49.4176.7-168-178.6-175.900111.9N267 T388 K392 R393 D394N267-E390 WeakPolarHBondContact ND2-CG 3.35Å; N267-E390 PolarHBondContact ND2-OE2 2.84Å; N267-E390 PolarHBondContact OD1-OE2 3.21Å; T388-E390 PolarHBondContact O-N 3.18Å; T388-E390 PolarHBondContact OG1-N 2.62Å; E390-K392 PolarHBondContact O-N 3Å; E390-R393 WeakPolarHBondContact O-CB 3.38Å; E390-R393 PolarHBondContact O-N 2.63Å; E390-D394 PolarHBondContact O-N 2.59Å
391I98.6Very high98.5Very high5 Ų567.6 Ų67.63%0.02632%0.316CS..Hα-helixtrans-58.6-40.3175.5-67.1167.8000110.2I250 L268 N386 I387 T388 R393 D394 I395I250-I391 HydrophobicContact CD1-CG2 3.77Å; L268-I391 HydrophobicContact CD1-CD1 3.91Å; L268-I391 HydrophobicContact CD1-CG1 4.48Å; L268-I391 HydrophobicContact CD1-CG2 4.4Å; N386-I391 WeakPolarHBondContact O-CD1 3.38Å; I387-I391 HydrophobicContact CD1-CG2 4.08Å; I387-I391 HydrophobicContact CG2-CG2 4.33Å; T388-I391 HydrophobicContact CG2-CD1 4.28Å; T388-I391 PolarHBondContact O-N 2.96Å; T388-I391 WeakPolarHBondContact OG1-CG1 3.38Å; T388-I391 PolarHBondContact OG1-N 2.87Å; I391-R393 PolarHBondContact O-N 3.48Å; I391-D394 PolarHBondContact O-N 2.9Å; I391-I395 HydrophobicContact CG2-CD1 3.94Å; I391-I395 HydrophobicContact CG2-CG1 4.43Å; I391-I395 VanDerWaalsContact O-CG1 3.32Å; I391-I395 WeakPolarHBondContact O-CG1 3.39Å; I391-I395 PolarHBondContact O-N 3.31Å
392K98.6Very high98.5Very high62 Ų6261.6 Ų61.627%0.2729%0.288SS..Hα-helixtrans-60.4-43.7175.9-179.759.9-177.4172.40112E248 I387 T388 E390 D394 I395 E396E248-K392 HydrophobicContact CG-CD 4.44Å; E248-K392 WeakPolarHBondContact OE1-CE 3.41Å; E248-K392 IonicContact OE1-NZ 3.56Å; E248-K392 PolarHBondContact OE1-NZ 3.42Å; E248-K392 IonicContact OE2-NZ 3.79Å; E248-K392 PolarHBondContact OE2-NZ 3.45Å; I387-K392 HydrophobicContact CG2-CB 3.97Å; T388-K392 WeakPolarHBondContact O-CB 3.08Å; T388-K392 PolarHBondContact O-N 3.18Å; E390-K392 PolarHBondContact O-N 3Å; K392-D394 VanDerWaalsContact C-N 3.34Å; K392-D394 PolarHBondContact O-N 3.3Å; K392-I395 PolarHBondContact O-N 3.32Å; K392-E396 WeakPolarHBondContact CE-OE1 3.33Å; K392-E396 IonicContact NZ-OE1 2.72Å; K392-E396 PolarHBondContact NZ-OE1 2.81Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.94Å
393R98.8Very high98.5Very high139 Ų13960.7 Ų60.753%0.52529%0.287SS..Hα-helixtrans-62.3-40.7174.5-74.7-174.7-59.3-98.15.6112.1P389 E390 I391 I395 E396 K397P389-R393 WeakPolarHBondContact O-CG 3.25Å; P389-R393 PolarHBondContact O-N 2.89Å; P389-R393 VanDerWaalsContact O-N 3.13Å; E390-R393 WeakPolarHBondContact O-CB 3.38Å; E390-R393 PolarHBondContact O-N 2.63Å; I391-R393 PolarHBondContact O-N 3.48Å; R393-I395 VanDerWaalsContact C-N 3.32Å; R393-E396 PolarHBondContact O-N 3.25Å; R393-K397 WeakPolarHBondContact O-CG 3.36Å; R393-K397 PolarHBondContact O-N 3.26Å
394D98.8Very high98.5Very high27 Ų2765.3 Ų65.314%0.14431%0.311CS..Hα-helixtrans-63.9-39.5176.9-67.2-25.9000111.3L253 A264 E390 I391 K392 K397 A398L253-D394 VanDerWaalsContact CD2-C 3.43Å; L253-D394 HydrophobicContact CD2-CB 3.75Å; L253-D394 WeakPolarHBondContact CD2-O 3.49Å; A264-D394 HydrophobicContact CB-CB 4.04Å; E390-D394 PolarHBondContact O-N 2.59Å; I391-D394 PolarHBondContact O-N 2.9Å; K392-D394 VanDerWaalsContact C-N 3.34Å; K392-D394 PolarHBondContact O-N 3.3Å; D394-K397 PolarHBondContact O-N 3.39Å; D394-A398 WeakPolarHBondContact O-CB 3.14Å; D394-A398 PolarHBondContact O-N 3.08Å
395I98.8Very high98.5Very high0 Ų057.1 Ų57.10%028%0.28CS..Hα-helixtrans-62.9-45.4174.8-69.6166.8000110.7E248 P249 I250 I252 L253 I387 I391 K392 R393 K397 A398 K399E248-I395 HydrophobicContact CB-CD1 4.05Å; P249-I395 HydrophobicContact CG-CG2 4.08Å; I250-I395 HydrophobicContact CD1-CD1 3.85Å; I250-I395 HydrophobicContact CD1-CG1 4.36Å; I252-I395 HydrophobicContact CG2-CG2 4.16Å; L253-I395 HydrophobicContact CD1-CG1 4.15Å; L253-I395 HydrophobicContact CD2-CB 4.47Å; L253-I395 HydrophobicContact CD2-CG1 3.87Å; L253-I395 HydrophobicContact CG-CG1 3.93Å; I387-I395 HydrophobicContact CD1-CD1 4.38Å; I391-I395 HydrophobicContact CG2-CD1 3.94Å; I391-I395 HydrophobicContact CG2-CG1 4.43Å; I391-I395 VanDerWaalsContact O-CG1 3.32Å; I391-I395 WeakPolarHBondContact O-CG1 3.39Å; I391-I395 PolarHBondContact O-N 3.31Å; K392-I395 PolarHBondContact O-N 3.32Å; R393-I395 VanDerWaalsContact C-N 3.32Å; I395-K397 VanDerWaalsContact C-N 3.34Å; I395-K397 PolarHBondContact O-N 2.81Å; I395-A398 WeakPolarHBondContact O-CB 3.41Å; I395-A398 PolarHBondContact O-N 3.28Å; I395-K399 HydrophobicContact CG2-CD 4.29Å; I395-K399 HydrophobicContact CG2-CG 4.48Å; I395-K399 WeakPolarHBondContact O-CG 3.42Å; I395-K399 PolarHBondContact O-N 3.47Å
396E98.7Very high98.5Very high66 Ų6656.7 Ų56.731%0.30828%0.281SS..Hα-helixtrans-64.7-37.4178.6-66.7-52138.700112.3K392 R393 K399 Q400K392-E396 WeakPolarHBondContact CE-OE1 3.33Å; K392-E396 IonicContact NZ-OE1 2.72Å; K392-E396 PolarHBondContact NZ-OE1 2.81Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.94Å; R393-E396 PolarHBondContact O-N 3.25Å; E396-K399 WeakPolarHBondContact O-CB 3.2Å; E396-K399 PolarHBondContact O-N 3.2Å; E396-K399 IonicContact OE1-NZ 2.66Å; E396-K399 PolarHBondContact OE1-NZ 3.16Å; E396-K399 WeakPolarHBondContact OE2-CD 3.31Å; E396-K399 IonicContact OE2-NZ 3.08Å; E396-Q400 WeakPolarHBondContact O-CG 3.36Å; E396-Q400 PolarHBondContact O-N 3.34Å
397K98.6Very high98.4Very high112 Ų11260.1 Ų60.149%0.48729%0.294SS..Hα-helixtrans-64-43.1171.2-70.9174.9-178.1177.60111.9Q256 R393 D394 I395 K399 Q400 N401Q256-K397 PolarHBondContact NE2-O 3.29Å; R393-K397 WeakPolarHBondContact O-CG 3.36Å; R393-K397 PolarHBondContact O-N 3.26Å; D394-K397 PolarHBondContact O-N 3.39Å; I395-K397 VanDerWaalsContact C-N 3.34Å; I395-K397 PolarHBondContact O-N 2.81Å; K397-K399 VanDerWaalsContact C-N 3.31Å; K397-K399 PolarHBondContact O-N 3.07Å; K397-Q400 PolarHBondContact O-N 2.87Å; K397-N401 PolarHBondContact O-N 3.21Å
398A98.8Very high98.5Very high0 Ų058.6 Ų58.60%029%0.287CS..Hα-helixtrans-59.2-40.2174.100000112.7I252 L253 Q256 D394 I395 M402I252-A398 HydrophobicContact CG2-CB 3.8Å; L253-A398 HydrophobicContact CD2-CB 4.04Å; Q256-A398 HydrophobicContact CG-CB 3.64Å; D394-A398 WeakPolarHBondContact O-CB 3.14Å; D394-A398 PolarHBondContact O-N 3.08Å; I395-A398 WeakPolarHBondContact O-CB 3.41Å; I395-A398 PolarHBondContact O-N 3.28Å; A398-M402 VanDerWaalsContact O-CB 3.29Å; A398-M402 WeakPolarHBondContact O-CB 3.41Å; A398-M402 PolarHBondContact O-N 3.39Å
399K98.8Very high98.5Very high39 Ų3956.3 Ų56.317%0.1727%0.272CS..Hα-helixtrans-60.7-49173.3-74173.3-179.8172.80112.4E248 I252 T316 I395 E396 K397 M402 N403E248-K399 IonicContact OE2-NZ 2.78Å; I252-K399 HydrophobicContact CD1-CB 4.5Å; I252-K399 HydrophobicContact CD1-CG 3.89Å; I252-K399 HydrophobicContact CG2-CG 4.38Å; T316-K399 HydrophobicContact CG2-CB 3.42Å; T316-K399 VanDerWaalsContact CG2-CB 3.42Å; T316-K399 HydrophobicContact CG2-CG 3.62Å; T316-K399 WeakPolarHBondContact CG2-O 3.18Å; I395-K399 HydrophobicContact CG2-CD 4.29Å; I395-K399 HydrophobicContact CG2-CG 4.48Å; I395-K399 WeakPolarHBondContact O-CG 3.42Å; I395-K399 PolarHBondContact O-N 3.47Å; E396-K399 WeakPolarHBondContact O-CB 3.2Å; E396-K399 PolarHBondContact O-N 3.2Å; E396-K399 IonicContact OE1-NZ 2.66Å; E396-K399 PolarHBondContact OE1-NZ 3.16Å; E396-K399 WeakPolarHBondContact OE2-CD 3.31Å; E396-K399 IonicContact OE2-NZ 3.08Å; K397-K399 VanDerWaalsContact C-N 3.31Å; K397-K399 PolarHBondContact O-N 3.07Å; K399-M402 PolarHBondContact O-N 3.49Å; K399-N403 PolarHBondContact O-N 3.16Å; K399-N403 PolarHBondContact O-ND2 3.04Å
400Q98.6Very high98.5Very high123 Ų12353 Ų5358%0.57525%0.249SC*.Hα-helixtrans-59.1-51.3178.5-69.8169.3-0.600111.4E396 K397 M402 N403 I404E396-Q400 WeakPolarHBondContact O-CG 3.36Å; E396-Q400 PolarHBondContact O-N 3.34Å; K397-Q400 PolarHBondContact O-N 2.87Å; Q400-M402 PolarHBondContact O-N 3.35Å; Q400-N403 PolarHBondContact O-N 3.16Å; Q400-I404 WeakPolarHBondContact O-CG1 3.46Å; Q400-I404 PolarHBondContact O-N 3.07Å
401N98.6Very high98.5Very high42 Ų4249.8 Ų49.823%0.22524%0.235CC..Hα-helixtrans-60.6-43178.9-172.779.6000112.4K397 N403 I404 M405K397-N401 PolarHBondContact O-N 3.21Å; N401-N403 PolarHBondContact O-N 3.39Å; N401-I404 PolarHBondContact O-N 3.42Å; N401-M405 WeakPolarHBondContact O-CG 3.49Å; N401-M405 PolarHBondContact O-N 2.89Å
402M98.4Very high98.5Very high0 Ų050.9 Ų50.90%024%0.24CC..Hα-helixtrans-61.4-44177.2-176.259.1109.200111.8A117 I252 S255 H312 T316 F325 A398 K399 Q400 I404 M405 V406A117-M402 HydrophobicContact CB-CE 4.23Å; I252-M402 HydrophobicContact CD1-CB 4.11Å; I252-M402 HydrophobicContact CD1-CG 4.3Å; I252-M402 HydrophobicContact CG1-CB 4.35Å; S255-M402 WeakPolarHBondContact OG-CE 3.47Å; H312-M402 HydrophobicContact CB-SD 4.5Å; T316-M402 HydrophobicContact CG2-CB 4.43Å; F325-M402 HydrophobicContact CE2-CE 3.61Å; F325-M402 HydrophobicContact CZ-CE 3.78Å; A398-M402 VanDerWaalsContact O-CB 3.29Å; A398-M402 WeakPolarHBondContact O-CB 3.41Å; A398-M402 PolarHBondContact O-N 3.39Å; K399-M402 PolarHBondContact O-N 3.49Å; Q400-M402 PolarHBondContact O-N 3.35Å; M402-I404 VanDerWaalsContact C-N 3.34Å; M402-I404 PolarHBondContact O-N 2.77Å; M402-M405 PolarHBondContact O-N 2.88Å; M402-M405 HydrophobicContact SD-CE 3.65Å; M402-V406 HydrophobicContact CG-CG2 4.28Å; M402-V406 WeakPolarHBondContact O-CB 3.32Å; M402-V406 VanDerWaalsContact O-CG2 3.25Å; M402-V406 WeakPolarHBondContact O-CG2 3.42Å; M402-V406 PolarHBondContact O-N 2.87Å; M402-V406 HydrophobicContact SD-CG2 3.96Å
403N98.5Very high98.4Very high52 Ų5248.3 Ų48.328%0.27823%0.229SC..Hα-helixtrans-63.9-39.5177.8-70.9-22.2000112T316 K399 Q400 N401 V406 Q407T316-N403 WeakPolarHBondContact CB-OD1 3.33Å; T316-N403 WeakPolarHBondContact CG2-OD1 3.29Å; T316-N403 PolarHBondContact N-OD1 2.9Å; T316-N403 VanDerWaalsContact N-OD1 3.11Å; T316-N403 VanDerWaalsContact OG1-CG 3.27Å; T316-N403 PolarHBondContact OG1-ND2 3.45Å; T316-N403 PolarHBondContact OG1-OD1 3.03Å; K399-N403 PolarHBondContact O-N 3.16Å; K399-N403 PolarHBondContact O-ND2 3.04Å; Q400-N403 PolarHBondContact O-N 3.16Å; N401-N403 PolarHBondContact O-N 3.39Å; N403-V406 PolarHBondContact O-N 2.86Å; N403-Q407 WeakPolarHBondContact O-CB 3.37Å; N403-Q407 WeakPolarHBondContact O-CG 3.47Å; N403-Q407 PolarHBondContact O-N 3.21Å
404I98.4Very high98.4Very high107 Ų10742.7 Ų42.755%0.54921%0.21SC..Hα-helixtrans-59.3-52.1175.1-66.2164.3000110Q400 N401 M402 V406 Q407 D408Q400-I404 WeakPolarHBondContact O-CG1 3.46Å; Q400-I404 PolarHBondContact O-N 3.07Å; N401-I404 PolarHBondContact O-N 3.42Å; M402-I404 VanDerWaalsContact C-N 3.34Å; M402-I404 PolarHBondContact O-N 2.77Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 3.22Å; I404-Q407 PolarHBondContact O-N 3.45Å; I404-D408 WeakPolarHBondContact O-CB 3.35Å; I404-D408 PolarHBondContact O-N 3.1Å
405M98.2Very high98.3Very high6 Ų644.4 Ų44.43%0.0322%0.221CC..Hα-helixtrans-60.3-40.7179.6-66.3-174.8-53.700112.9P115 Y119 S255 N401 M402 D408 L409P115-M405 HydrophobicContact CB-CE 4.19Å; P115-M405 HydrophobicContact CB-SD 3.66Å; P115-M405 HydrophobicContact CG-CE 4.46Å; P115-M405 HydrophobicContact CG-SD 3.54Å; P115-M405 VanDerWaalsContact CG-SD 3.54Å; Y119-M405 HydrophobicContact CD2-SD 4.35Å; Y119-M405 HydrophobicContact CE2-CG 4.17Å; Y119-M405 HydrophobicContact CE2-SD 3.63Å; S255-M405 WeakPolarHBondContact O-CE 3.38Å; N401-M405 WeakPolarHBondContact O-CG 3.49Å; N401-M405 PolarHBondContact O-N 2.89Å; M402-M405 PolarHBondContact O-N 2.88Å; M402-M405 HydrophobicContact SD-CE 3.65Å; M405-D408 PolarHBondContact O-N 3.14Å; M405-L409 WeakPolarHBondContact O-CB 3.49Å; M405-L409 PolarHBondContact O-N 3.27Å; M405-L409 VanDerWaalsContact O-N 3.07Å
406V97.5Very high98.2Very high28 Ų2844.4 Ų44.417%0.1722%0.221CC..Hα-helixtrans-71-34.1-179.7170.60000112.1H312 M402 N403 I404H312-V406 HydrophobicContact CB-CG2 4.11Å; H312-V406 VanDerWaalsContact ND1-CG2 3.3Å; H312-V406 WeakPolarHBondContact ND1-CG2 3.43Å; M402-V406 HydrophobicContact CG-CG2 4.28Å; M402-V406 WeakPolarHBondContact O-CB 3.32Å; M402-V406 VanDerWaalsContact O-CG2 3.25Å; M402-V406 WeakPolarHBondContact O-CG2 3.42Å; M402-V406 PolarHBondContact O-N 2.87Å; M402-V406 HydrophobicContact SD-CG2 3.96Å; N403-V406 PolarHBondContact O-N 2.86Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 3.22Å
407Q97.8Very high98.2Very high144 Ų14445.5 Ų45.567%0.67324%0.236SC*.Hα-helixtrans-73.2-32.7175.6-74.5171.5-19.600112N403 I404 N595N403-Q407 WeakPolarHBondContact O-CB 3.37Å; N403-Q407 WeakPolarHBondContact O-CG 3.47Å; N403-Q407 PolarHBondContact O-N 3.21Å; I404-Q407 PolarHBondContact O-N 3.45Å; Q407-N595 PolarHBondContact O-ND2 2.93Å
408D98.5Very high98.1Very high34 Ų3443.8 Ų43.818%0.18223%0.229CC..Hα-helixtrans-78.2-26.4179.3-16836.7000112.7I404 M405 D410 F594 N595 S596I404-D408 WeakPolarHBondContact O-CB 3.35Å; I404-D408 PolarHBondContact O-N 3.1Å; M405-D408 PolarHBondContact O-N 3.14Å; D408-D410 PolarHBondContact O-N 3.04Å; D408-F594 CarbonylContact O-C 3.59Å; D408-F594 VanDerWaalsContact O-CA 3.3Å; D408-F594 WeakPolarHBondContact O-CA 3.39Å; D408-N595 PolarHBondContact O-N 2.88Å; D408-N595 PolarHBondContact O-ND2 2.99Å; D408-N595 PolarHBondContact OD1-N 3.36Å; D408-S596 WeakPolarHBondContact OD1-CB 3.32Å; D408-S596 PolarHBondContact OD1-N 3.45Å; D408-S596 PolarHBondContact OD1-OG 3.5Å; D408-S596 PolarHBondContact OD2-OG 3.34Å
409L98.6Very high98.1Very high12 Ų1244.3 Ų44.36%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-81.1119.4-179.9-171.271.9000112.5V118 L311 M405 V411 F594V118-L409 HydrophobicContact CG1-CD1 3.78Å; V118-L409 HydrophobicContact CG1-CD2 3.84Å; V118-L409 HydrophobicContact CG1-CG 4.28Å; V118-L409 HydrophobicContact CG2-CD2 4.05Å; L311-L409 HydrophobicContact CD2-CD2 3.63Å; M405-L409 WeakPolarHBondContact O-CB 3.49Å; M405-L409 PolarHBondContact O-N 3.27Å; M405-L409 VanDerWaalsContact O-N 3.07Å; L409-V411 HydrophobicContact CD2-CG2 3.61Å; L409-V411 HydrophobicContact CG-CG2 3.73Å; L409-F594 HydrophobicContact CD1-CD1 4.29Å; L409-F594 HydrophobicContact CD1-CE1 3.96Å
410D98.3Very high98Very high32 Ų3242.5 Ų42.517%0.17122%0.224CC..EExtended strand (participates in β ladder)trans-89.4135165-173.210.4000109.9D408 T592 A593 A602D408-D410 PolarHBondContact O-N 3.04Å; D410-T592 WeakPolarHBondContact O-CA 3.42Å; D410-A593 HydrophobicContact CB-CB 4.32Å; D410-A593 PolarHBondContact N-O 3.35Å; D410-A593 PolarHBondContact O-N 2.86Å; D410-A593 VanDerWaalsContact O-N 3.07Å; D410-A602 HydrophobicContact CB-CB 4.16Å; D410-A602 WeakPolarHBondContact OD2-CA 3.41Å; D410-A602 WeakPolarHBondContact OD2-CB 3.34Å; D410-A602 PolarHBondContact OD2-N 3.25Å
411V98.3Very high97.9Very high16 Ų1640.8 Ų40.810%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-136.9116-177.8-174.30000109.7A307 A308 L409 T592A307-V411 HydrophobicContact CB-CG1 4.04Å; A308-V411 HydrophobicContact CB-CG2 4.32Å; L409-V411 HydrophobicContact CD2-CG2 3.61Å; L409-V411 HydrophobicContact CG-CG2 3.73Å; V411-T592 HydrophobicContact CG1-CG2 4.32Å; V411-T592 HydrophobicContact CG2-CG2 4.14Å
412K98.4Very high97.8Very high28 Ų2840.9 Ų40.912%0.12221%0.213CC..EExtended strand (participates in β ladder)trans-121.6127.5170.7-176.866.9174.5-177.90110.3E300 M301 I591 A602 A606E300-K412 IonicContact OE1-NZ 3.16Å; E300-K412 PolarHBondContact OE1-NZ 3.23Å; M301-K412 HydrophobicContact SD-CD 4.48Å; K412-I591 PolarHBondContact N-O 3.35Å; K412-I591 PolarHBondContact O-N 3.47Å; K412-A602 HydrophobicContact CB-CB 4.06Å; K412-A606 HydrophobicContact CB-CB 4.44Å; K412-A606 HydrophobicContact CG-CB 3.72Å
413V98.3Very high97.7Very high7 Ų742 Ų424%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-103124.9166.3178.70000109L303 S304 A307 V565 I589 A590L303-V413 HydrophobicContact CB-CB 3.94Å; L303-V413 HydrophobicContact CB-CG1 3.8Å; L303-V413 HydrophobicContact CB-CG2 4.44Å; L303-V413 HydrophobicContact CD1-CG1 4.19Å; S304-V413 PolarHBondContact OG-N 3.49Å; A307-V413 HydrophobicContact CB-CG2 3.72Å; V413-V565 HydrophobicContact CG1-CG1 4.07Å; V413-V565 HydrophobicContact CG2-CG1 4.32Å; V413-I589 CarbonylContact C-O 3.52Å; V413-I589 WeakPolarHBondContact CA-O 3.46Å; V413-A590 HydrophobicContact CG2-CB 4.15Å
414L97.6Very high97.6Very high22 Ų2239.6 Ų39.612%0.11521%0.206CC..EExtended strand (participates in β ladder)trans-104.4115.7172.2170.264.3000109.1F416 I589 A606 K610L414-F416 HydrophobicContact CD2-CB 4.48Å; L414-F416 HydrophobicContact CG-CB 4.29Å; L414-F416 PolarHBondContact O-N 3.48Å; L414-I589 HydrophobicContact CB-CB 4.36Å; L414-I589 HydrophobicContact CD2-CD1 4.27Å; L414-I589 PolarHBondContact N-O 3.5Å; L414-I589 PolarHBondContact O-N 3.04Å; L414-A606 HydrophobicContact CB-CB 4.45Å; L414-K610 HydrophobicContact CD1-CD 4.4Å; L414-K610 HydrophobicContact CD2-CB 3.97Å
415T96.3Very high97.4Very high62 Ų6239.4 Ų39.438%0.3820%0.201SC..EExtended strand (participates in β ladder)trans-89.594.9164.5-59.10000108.2L303 S417L303-T415 WeakPolarHBondContact CD1-OG1 3.48Å; T415-S417 PolarHBondContact O-N 3.33Å; T415-S417 VanDerWaalsContact O-N 3.16Å
416F97.9Very high97.3Very high1 Ų146 Ų460%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-79.396.2-179.6-177.6-95000110.1L414 H418 F419 H586 I587 K610 L613 L614L414-F416 HydrophobicContact CD2-CB 4.48Å; L414-F416 HydrophobicContact CG-CB 4.29Å; L414-F416 PolarHBondContact O-N 3.48Å; F416-H418 AromaticContact CD2-CD2 3.85Å; F416-H418 HydrophobicContact CE1-CB 3.84Å; F416-H418 HydrophobicContact CE2-CB 4.2Å; F416-H418 AromaticContact CE2-CD2 3.53Å; F416-H418 HydrophobicContact CZ-CB 3.66Å; F416-H418 AromaticContact CZ-CD2 3.92Å; F416-F419 WeakPolarHBondContact CD1-O 3.34Å; F416-F419 AromaticContact CE1-CD1 3.47Å; F416-F419 HydrophobicContact CE1-CD1 3.47Å; F416-F419 VanDerWaalsContact CE1-CD1 3.47Å; F416-F419 AromaticContact CE1-CD2 3.98Å; F416-F419 HydrophobicContact CE1-CD2 3.98Å; F416-F419 AromaticContact CE1-CE1 3.34Å; F416-F419 HydrophobicContact CE1-CE1 3.34Å; F416-F419 AromaticContact CE1-CE2 3.85Å; F416-F419 HydrophobicContact CE1-CE2 3.85Å; F416-F419 AromaticContact CE1-CG 3.8Å; F416-F419 HydrophobicContact CE1-CG 3.8Å; F416-F419 AromaticContact CE1-CZ 3.53Å; F416-F419 HydrophobicContact CE1-CZ 3.53Å; F416-F419 AromaticContact CZ-CD1 3.79Å; F416-F419 HydrophobicContact CZ-CD1 3.79Å; F416-F419 AromaticContact CZ-CE1 3.34Å; F416-F419 HydrophobicContact CZ-CE1 3.34Å; F416-F419 AromaticContact CZ-CZ 3.76Å; F416-F419 HydrophobicContact CZ-CZ 3.76Å; F416-H586 CarbonylContact O-C 3.03Å; F416-H586 VanDerWaalsContact O-CA 3.23Å; F416-H586 WeakPolarHBondContact O-CA 3.4Å; F416-H586 VanDerWaalsContact O-CB 3.28Å; F416-H586 WeakPolarHBondContact O-CB 3.44Å; F416-I587 HydrophobicContact CB-CB 4.26Å; F416-I587 WeakPolarHBondContact CB-O 3.46Å; F416-I587 HydrophobicContact CD1-CD1 4.24Å; F416-I587 HydrophobicContact CD1-CG1 4.31Å; F416-I587 PolarHBondContact N-O 3.44Å; F416-I587 PolarHBondContact O-N 3.18Å; F416-K610 HydrophobicContact CD2-CG 4.12Å; F416-K610 HydrophobicContact CE2-CG 4.15Å; F416-L613 HydrophobicContact CD1-CD1 4.21Å; F416-L613 HydrophobicContact CD2-CB 4.43Å; F416-L613 HydrophobicContact CD2-CD1 3.88Å; F416-L613 HydrophobicContact CE1-CB 4.26Å; F416-L613 HydrophobicContact CE1-CD1 4.29Å; F416-L613 HydrophobicContact CE2-CB 3.66Å; F416-L613 HydrophobicContact CE2-CD1 3.96Å; F416-L613 HydrophobicContact CE2-CG 4.48Å; F416-L613 HydrophobicContact CG-CD1 4.01Å; F416-L613 HydrophobicContact CZ-CB 3.57Å; F416-L613 HydrophobicContact CZ-CD1 4.17Å; F416-L613 HydrophobicContact CZ-CG 4.45Å; F416-L614 HydrophobicContact CE2-CD2 4.36Å; F416-L614 HydrophobicContact CE2-CG 4.13Å; F416-L614 HydrophobicContact CZ-CD2 4.22Å; F416-L614 HydrophobicContact CZ-CG 4.36Å
417S97.2Very high97.1Very high89 Ų8946.8 Ų46.862%0.62223%0.234SC*.  trans-92.69.3-172.364.30000115T415T415-S417 PolarHBondContact O-N 3.33Å; T415-S417 VanDerWaalsContact O-N 3.16Å
418H98.1Very high96.9Very high76 Ų7648.8 Ų48.835%0.35224%0.243SC..SBendtrans-84.9-27.1-174.1-62.2-80.1000113.7F416 K610 L614 R617F416-H418 AromaticContact CD2-CD2 3.85Å; F416-H418 HydrophobicContact CE1-CB 3.84Å; F416-H418 HydrophobicContact CE2-CB 4.2Å; F416-H418 AromaticContact CE2-CD2 3.53Å; F416-H418 HydrophobicContact CZ-CB 3.66Å; F416-H418 AromaticContact CZ-CD2 3.92Å; H418-K610 WeakPolarHBondContact NE2-CE 3.45Å; H418-L614 HydrophobicContact CB-CD2 3.91Å; H418-R617 PolarHBondContact O-NH1 3.49Å
419F98.1Very high96.7Very high11 Ų1147.9 Ų47.95%0.04824%0.238CC..  trans-170.5164.8171.259.9-96.1000109.3F416 L423 F434 E585 H586 I587 L613 R617F416-F419 WeakPolarHBondContact CD1-O 3.34Å; F416-F419 AromaticContact CE1-CD1 3.47Å; F416-F419 HydrophobicContact CE1-CD1 3.47Å; F416-F419 VanDerWaalsContact CE1-CD1 3.47Å; F416-F419 AromaticContact CE1-CD2 3.98Å; F416-F419 HydrophobicContact CE1-CD2 3.98Å; F416-F419 AromaticContact CE1-CE1 3.34Å; F416-F419 HydrophobicContact CE1-CE1 3.34Å; F416-F419 AromaticContact CE1-CE2 3.85Å; F416-F419 HydrophobicContact CE1-CE2 3.85Å; F416-F419 AromaticContact CE1-CG 3.8Å; F416-F419 HydrophobicContact CE1-CG 3.8Å; F416-F419 AromaticContact CE1-CZ 3.53Å; F416-F419 HydrophobicContact CE1-CZ 3.53Å; F416-F419 AromaticContact CZ-CD1 3.79Å; F416-F419 HydrophobicContact CZ-CD1 3.79Å; F416-F419 AromaticContact CZ-CE1 3.34Å; F416-F419 HydrophobicContact CZ-CE1 3.34Å; F416-F419 AromaticContact CZ-CZ 3.76Å; F416-F419 HydrophobicContact CZ-CZ 3.76Å; F419-L423 HydrophobicContact CB-CB 3.94Å; F419-L423 HydrophobicContact CB-CD2 4.13Å; F419-L423 HydrophobicContact CD1-CD2 3.58Å; F419-L423 HydrophobicContact CD2-CB 3.95Å; F419-L423 HydrophobicContact CD2-CD2 3.69Å; F419-L423 HydrophobicContact CD2-CG 4.47Å; F419-L423 HydrophobicContact CE1-CD2 3.79Å; F419-L423 HydrophobicContact CE2-CD2 3.92Å; F419-L423 HydrophobicContact CG-CB 4.02Å; F419-L423 HydrophobicContact CG-CD2 3.52Å; F419-L423 HydrophobicContact CG-CG 4.4Å; F419-L423 HydrophobicContact CZ-CD2 3.97Å; F419-F434 AromaticContact CE2-CE1 3.95Å; F419-F434 HydrophobicContact CE2-CE1 3.95Å; F419-F434 AromaticContact CZ-CE1 3.84Å; F419-F434 HydrophobicContact CZ-CE1 3.84Å; F419-E585 CarbonylContact C-O 3.56Å; F419-E585 VanDerWaalsContact CA-O 3.29Å; F419-E585 WeakPolarHBondContact CA-O 3.37Å; F419-H586 WeakPolarHBondContact O-CA 3.36Å; F419-I587 HydrophobicContact CE2-CD1 4.34Å; F419-L613 WeakPolarHBondContact CE1-O 3.41Å; F419-L613 HydrophobicContact CE2-CD2 4.41Å; F419-L613 HydrophobicContact CZ-CB 4.04Å; F419-L613 HydrophobicContact CZ-CD2 4.07Å; F419-R617 HydrophobicContact CD1-CB 4.22Å; F419-R617 HydrophobicContact CD1-CG 4.29Å; F419-R617 HydrophobicContact CE1-CB 3.66Å; F419-R617 HydrophobicContact CE1-CG 4.23Å; F419-R617 HydrophobicContact CZ-CB 4.39Å
420G97.3Very high96.6Very high1 Ų148.2 Ų48.21%0.0124%0.242CC..  trans-121.6-151.6169.900000111.7N422 L423 P424 M583 D584 E585G420-N422 PolarHBondContact O-N 3.46Å; G420-L423 PolarHBondContact O-N 3.34Å; G420-P424 WeakPolarHBondContact O-CD 3.47Å; G420-M583 CarbonylContact C-O 3.52Å; G420-M583 WeakPolarHBondContact CA-O 3.3Å; G420-D584 CarbonylContact C-O 3.58Å; G420-D584 VanDerWaalsContact CA-O 3.25Å; G420-D584 WeakPolarHBondContact CA-O 3.29Å; G420-E585 PolarHBondContact N-O 3.13Å
421R96.3Very high96.6Very high87 Ų8747.9 Ų47.933%0.32824%0.241SC..THydrogen-bonded Turntrans-63.5-12.6-177.673.2-166.8-177.6-167.3-11.4114.4K425 P431 P582 M583 D584R421-K425 WeakPolarHBondContact O-CD 3.35Å; R421-K425 WeakPolarHBondContact O-CG 3.42Å; R421-P431 HydrophobicContact CB-CB 3.7Å; R421-P431 HydrophobicContact CB-CG 3.76Å; R421-P582 HydrophobicContact CB-CB 4.28Å; R421-M583 WeakPolarHBondContact CG-O 3.36Å; R421-M583 PolarHBondContact N-O 3.17Å; R421-D584 IonicContact CZ-OD1 3.51Å; R421-D584 PolarHBondContact N-O 3.19Å; R421-D584 IonicContact NE-OD1 3.38Å; R421-D584 PolarHBondContact NE-OD1 2.77Å; R421-D584 VanDerWaalsContact NH2-CG 3.28Å; R421-D584 IonicContact NH2-OD1 3.92Å; R421-D584 PolarHBondContact NH2-OD1 3.07Å; R421-D584 IonicContact NH2-OD2 2.83Å; R421-D584 PolarHBondContact NH2-OD2 2.89Å; R421-D584 VanDerWaalsContact NH2-OD2 3.16Å
422N96.8Very high96.6Very high44 Ų4447.6 Ų47.624%0.23524%0.239CC..Hα-helixtrans-69.2-40.5-179.8-74.3-12.6000112.9G420 K425 Q426 D584 E585G420-N422 PolarHBondContact O-N 3.46Å; N422-K425 PolarHBondContact O-N 3.44Å; N422-Q426 WeakPolarHBondContact O-CG 3.41Å; N422-Q426 PolarHBondContact O-N 3.29Å; N422-Q426 VanDerWaalsContact O-N 3.07Å; N422-D584 WeakPolarHBondContact CB-O 3.38Å; N422-D584 PolarHBondContact N-O 2.88Å; N422-D584 PolarHBondContact ND2-O 2.85Å; N422-E585 PolarHBondContact ND2-OE1 2.96Å
423L96.3Very high96.6Very high22 Ų2246.2 Ų46.212%0.11523%0.233CC..Hα-helixtrans-59.1-58.917917978.8000112.7F419 G420 K425 Q426 H427 R617 L620F419-L423 HydrophobicContact CB-CB 3.94Å; F419-L423 HydrophobicContact CB-CD2 4.13Å; F419-L423 HydrophobicContact CD1-CD2 3.58Å; F419-L423 HydrophobicContact CD2-CB 3.95Å; F419-L423 HydrophobicContact CD2-CD2 3.69Å; F419-L423 HydrophobicContact CD2-CG 4.47Å; F419-L423 HydrophobicContact CE1-CD2 3.79Å; F419-L423 HydrophobicContact CE2-CD2 3.92Å; F419-L423 HydrophobicContact CG-CB 4.02Å; F419-L423 HydrophobicContact CG-CD2 3.52Å; F419-L423 HydrophobicContact CG-CG 4.4Å; F419-L423 HydrophobicContact CZ-CD2 3.97Å; G420-L423 PolarHBondContact O-N 3.34Å; L423-K425 PolarHBondContact O-N 2.92Å; L423-Q426 WeakPolarHBondContact O-CB 3.47Å; L423-Q426 PolarHBondContact O-N 2.86Å; L423-H427 PolarHBondContact O-CD2 3.41Å; L423-H427 PolarHBondContact O-N 3.03Å; L423-R617 HydrophobicContact CD2-CB 3.79Å; L423-R617 HydrophobicContact CD2-CG 3.61Å; L423-L620 HydrophobicContact CD2-CD1 4.41Å; L423-L620 HydrophobicContact CG-CD1 4.36Å
424P95.9Very high96.6Very high3 Ų346 Ų462%0.01923%0.231CC..Hα-helixtrans-59.6-33.8-179.920.7-31.5000112.3G420 Q426 H427 E428 L429 P431 F434G420-P424 WeakPolarHBondContact O-CD 3.47Å; P424-Q426 PolarHBondContact O-N 2.93Å; P424-H427 CarbonylContact O-C 3.5Å; P424-H427 PolarHBondContact O-N 3.44Å; P424-H427 VanDerWaalsContact O-N 3.16Å; P424-E428 PolarHBondContact O-N 2.64Å; P424-L429 CarbonylContact C-O 3.47Å; P424-L429 HydrophobicContact CB-CB 4.13Å; P424-L429 PolarHBondContact O-N 3.19Å; P424-P431 HydrophobicContact CG-CB 3.85Å; P424-P431 HydrophobicContact CG-CG 4.04Å; P424-F434 HydrophobicContact CB-CB 4Å; P424-F434 HydrophobicContact CB-CD1 4.46Å; P424-F434 HydrophobicContact CB-CD2 4.22Å; P424-F434 HydrophobicContact CB-CG 3.98Å
425K94.9Very high96.6Very high103 Ų10345 Ų4545%0.44823%0.227SC..Hα-helixtrans-63.2-37.1175.2-75.1173.5-173174.60113.3R421 N422 L423 H427 E428 P431R421-K425 WeakPolarHBondContact O-CD 3.35Å; R421-K425 WeakPolarHBondContact O-CG 3.42Å; N422-K425 PolarHBondContact O-N 3.44Å; L423-K425 PolarHBondContact O-N 2.92Å; K425-H427 PolarHBondContact O-N 3.44Å; K425-E428 PolarHBondContact O-N 2.9Å; K425-E428 VanDerWaalsContact O-N 3.08Å; K425-P431 HydrophobicContact CD-CG 4.43Å; K425-P431 HydrophobicContact CG-CG 3.88Å
426Q94.8Very high96.8Very high143 Ų14342.1 Ų42.167%0.66821%0.209SC*.Hα-helixtrans-62.8-27.4176.6-71.7167.87.900112N422 L423 P424N422-Q426 WeakPolarHBondContact O-CG 3.41Å; N422-Q426 PolarHBondContact O-N 3.29Å; N422-Q426 VanDerWaalsContact O-N 3.07Å; L423-Q426 WeakPolarHBondContact O-CB 3.47Å; L423-Q426 PolarHBondContact O-N 2.86Å; P424-Q426 PolarHBondContact O-N 2.93Å
427H93.4Very high96.8Very high46 Ų4642 Ų4221%0.21321%0.208CC..THydrogen-bonded Turntrans-98.516.1176-66.3-90.8000113.2L423 P424 K425 L429 L620L423-H427 PolarHBondContact O-CD2 3.41Å; L423-H427 PolarHBondContact O-N 3.03Å; P424-H427 CarbonylContact O-C 3.5Å; P424-H427 PolarHBondContact O-N 3.44Å; P424-H427 VanDerWaalsContact O-N 3.16Å; K425-H427 PolarHBondContact O-N 3.44Å; H427-L429 HydrophobicContact CB-CD1 4.49Å; H427-L429 HydrophobicContact CB-CG 4.38Å; H427-L429 PolarHBondContact O-N 3.15Å; H427-L620 HydrophobicContact CB-CD1 4.3Å; H427-L620 HydrophobicContact CB-CD2 4.24Å
428E93.8Very high96.9Very high186 Ų18637.8 Ų37.887%0.86918%0.179SC*.THydrogen-bonded Turntrans60.123.7179.9-53-174.4158.700114.7P424 K425P424-E428 PolarHBondContact O-N 2.64Å; K425-E428 PolarHBondContact O-N 2.9Å; K425-E428 VanDerWaalsContact O-N 3.08Å
429L95.1Very high96.9Very high14 Ų1434.2 Ų34.27%0.07316%0.162CC..  trans-96.9146.3176.4-57.2179.5000110.9P424 H427 P431 F434 Q499 V502 L620P424-L429 CarbonylContact C-O 3.47Å; P424-L429 HydrophobicContact CB-CB 4.13Å; P424-L429 PolarHBondContact O-N 3.19Å; H427-L429 HydrophobicContact CB-CD1 4.49Å; H427-L429 HydrophobicContact CB-CG 4.38Å; H427-L429 PolarHBondContact O-N 3.15Å; L429-P431 WeakPolarHBondContact O-CD 3.35Å; L429-F434 HydrophobicContact CD1-CD2 3.9Å; L429-F434 HydrophobicContact CD1-CE2 4.26Å; L429-Q499 HydrophobicContact CD2-CG 4.33Å; L429-V502 HydrophobicContact CB-CG1 4.3Å; L429-V502 HydrophobicContact CD2-CB 4.37Å; L429-V502 HydrophobicContact CD2-CG1 3.93Å; L429-L620 HydrophobicContact CD1-CD2 3.89Å
430S96.4Very high97Very high20 Ų2033.8 Ų33.814%0.1416%0.16CC..  trans-67.6124.9170.2179.10000108.9D432 A433 F434S430-D432 PolarHBondContact O-N 3.36Å; S430-A433 PolarHBondContact O-N 2.7Å; S430-F434 WeakPolarHBondContact O-CB 3.12Å; S430-F434 PolarHBondContact O-N 2.86Å
431P97.4Very high97.1Very high24 Ų2433.8 Ų33.816%0.15616%0.16CC..Hα-helixtrans-57.9-36.9178.1-25.333.8000113.4R421 P424 K425 L429 F434 V435R421-P431 HydrophobicContact CB-CB 3.7Å; R421-P431 HydrophobicContact CB-CG 3.76Å; P424-P431 HydrophobicContact CG-CB 3.85Å; P424-P431 HydrophobicContact CG-CG 4.04Å; K425-P431 HydrophobicContact CD-CG 4.43Å; K425-P431 HydrophobicContact CG-CG 3.88Å; L429-P431 WeakPolarHBondContact O-CD 3.35Å; P431-F434 PolarHBondContact O-N 2.83Å; P431-V435 WeakPolarHBondContact O-CG2 3.31Å; P431-V435 PolarHBondContact O-N 3.46Å; P431-V435 VanDerWaalsContact O-N 3.07Å
432D97.9Very high97.2Very high10 Ų1029.6 Ų29.65%0.05314%0.144CC..Hα-helixtrans-67.9-54.4-179.3-178.555.4000111.5S430 F434 V435 Q436 Q557 Y580S430-D432 PolarHBondContact O-N 3.36Å; D432-F434 PolarHBondContact O-N 2.89Å; D432-V435 PolarHBondContact O-N 3.08Å; D432-Q436 PolarHBondContact O-N 2.76Å; D432-Q557 WeakPolarHBondContact OD1-CB 3.28Å; D432-Q557 VanDerWaalsContact OD1-CD 3.26Å; D432-Q557 PolarHBondContact OD1-OE1 3.31Å; D432-Y580 WeakPolarHBondContact OD1-CE2 3.46Å; D432-Y580 PolarHBondContact OD1-OH 3.16Å
433A98.4Very high97.3Very high0 Ų028.3 Ų28.30%014%0.136CC..Hα-helixtrans-56.9-35173.900000112.7S430 Q436 M437 V502 H505S430-A433 PolarHBondContact O-N 2.7Å; A433-Q436 PolarHBondContact O-N 2.79Å; A433-M437 VanDerWaalsContact O-CG 3.3Å; A433-M437 WeakPolarHBondContact O-CG 3.46Å; A433-M437 PolarHBondContact O-N 3.39Å; A433-V502 HydrophobicContact CB-CB 4.4Å; A433-V502 HydrophobicContact CB-CG1 3.88Å; A433-V502 HydrophobicContact CB-CG2 4.43Å; A433-H505 HydrophobicContact CB-CB 4.17Å; A433-H505 VanDerWaalsContact CB-CD2 3.45Å; A433-H505 WeakPolarHBondContact CB-CD2 3.38Å
434F98.6Very high97.4Very high1 Ų128.1 Ų28.10%0.00413%0.134CC..Hα-helixtrans-65.1-44.3176.1-173.3-88.3000111.7F419 P424 L429 S430 P431 D432 M437 A438 L498 L613 M616 L620F419-F434 AromaticContact CE2-CE1 3.95Å; F419-F434 HydrophobicContact CE2-CE1 3.95Å; F419-F434 AromaticContact CZ-CE1 3.84Å; F419-F434 HydrophobicContact CZ-CE1 3.84Å; P424-F434 HydrophobicContact CB-CB 4Å; P424-F434 HydrophobicContact CB-CD1 4.46Å; P424-F434 HydrophobicContact CB-CD2 4.22Å; P424-F434 HydrophobicContact CB-CG 3.98Å; L429-F434 HydrophobicContact CD1-CD2 3.9Å; L429-F434 HydrophobicContact CD1-CE2 4.26Å; S430-F434 WeakPolarHBondContact O-CB 3.12Å; S430-F434 PolarHBondContact O-N 2.86Å; P431-F434 PolarHBondContact O-N 2.83Å; D432-F434 PolarHBondContact O-N 2.89Å; F434-M437 PolarHBondContact O-N 2.72Å; F434-A438 PolarHBondContact O-N 3.13Å; F434-L498 HydrophobicContact CE2-CD2 4.31Å; F434-L613 HydrophobicContact CD1-CD2 4.29Å; F434-L613 HydrophobicContact CE1-CD2 4.07Å; F434-M616 HydrophobicContact CD1-CE 3.99Å; F434-M616 HydrophobicContact CD2-CE 3.63Å; F434-M616 HydrophobicContact CE1-CB 4.23Å; F434-M616 HydrophobicContact CE1-CE 3.88Å; F434-M616 HydrophobicContact CE2-CB 4.01Å; F434-M616 HydrophobicContact CE2-CE 3.51Å; F434-M616 HydrophobicContact CG-CE 3.88Å; F434-M616 HydrophobicContact CZ-CB 3.5Å; F434-M616 HydrophobicContact CZ-CE 3.66Å; F434-M616 VanDerWaalsContact O-CE 3.28Å; F434-M616 WeakPolarHBondContact O-CE 3.4Å; F434-L620 HydrophobicContact CE2-CD1 3.72Å; F434-L620 HydrophobicContact CE2-CG 4.28Å; F434-L620 HydrophobicContact CZ-CD1 4.05Å
435V98.8Very high97.5Very high3 Ų331.5 Ų31.52%0.01815%0.147CC..Hα-helixtrans-63.7-44.8174172.90000110.5P431 D432 M437 A438 L439 Y580 I587P431-V435 WeakPolarHBondContact O-CG2 3.31Å; P431-V435 PolarHBondContact O-N 3.46Å; P431-V435 VanDerWaalsContact O-N 3.07Å; D432-V435 PolarHBondContact O-N 3.08Å; V435-M437 VanDerWaalsContact C-N 3.32Å; V435-M437 PolarHBondContact O-N 2.88Å; V435-A438 WeakPolarHBondContact O-CA 3.42Å; V435-A438 WeakPolarHBondContact O-CB 3.17Å; V435-A438 PolarHBondContact O-N 2.85Å; V435-L439 HydrophobicContact CG1-CG 4.5Å; V435-L439 WeakPolarHBondContact O-CG 3.32Å; V435-L439 PolarHBondContact O-N 2.87Å; V435-Y580 HydrophobicContact CB-CD2 4.45Å; V435-Y580 HydrophobicContact CB-CE2 4.12Å; V435-Y580 HydrophobicContact CG1-CD1 4.01Å; V435-Y580 HydrophobicContact CG1-CD2 3.89Å; V435-Y580 HydrophobicContact CG1-CE1 3.97Å; V435-Y580 HydrophobicContact CG1-CE2 3.86Å; V435-Y580 HydrophobicContact CG1-CG 3.97Å; V435-I587 HydrophobicContact CG2-CD1 3.89Å
436Q98.8Very high97.7Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-58.2-42177.4-72.8-72.5-18.400112.4D432 A433 A438 L439 Q440 E455 S472 T555 Y580D432-Q436 PolarHBondContact O-N 2.76Å; A433-Q436 PolarHBondContact O-N 2.79Å; Q436-A438 VanDerWaalsContact C-N 3.34Å; Q436-A438 PolarHBondContact O-N 2.95Å; Q436-L439 WeakPolarHBondContact O-CB 3.33Å; Q436-L439 PolarHBondContact O-N 3.2Å; Q436-Q440 WeakPolarHBondContact O-CG 3.4Å; Q436-Q440 PolarHBondContact O-N 3.27Å; Q436-E455 PolarHBondContact NE2-OE1 3.42Å; Q436-S472 PolarHBondContact OE1-OG 2.95Å; Q436-T555 PolarHBondContact NE2-OG1 3.21Å; Q436-Y580 WeakPolarHBondContact CG-OH 3.39Å; Q436-Y580 PolarHBondContact NE2-OH 3.41Å
437M98.9Very high97.8Very high0 Ų025.4 Ų25.40%012%0.119CC..Hα-helixtrans-67.6-32.5174.7-68.4-55.496.100112.9A433 F434 V435 Q440 L441 F480 L498 A501 V502 H505 M616A433-M437 VanDerWaalsContact O-CG 3.3Å; A433-M437 WeakPolarHBondContact O-CG 3.46Å; A433-M437 PolarHBondContact O-N 3.39Å; F434-M437 PolarHBondContact O-N 2.72Å; V435-M437 VanDerWaalsContact C-N 3.32Å; V435-M437 PolarHBondContact O-N 2.88Å; M437-Q440 HydrophobicContact CE-CG 4Å; M437-Q440 PolarHBondContact O-N 2.85Å; M437-L441 WeakPolarHBondContact O-CB 3.33Å; M437-L441 PolarHBondContact O-N 3.22Å; M437-F480 HydrophobicContact CB-CD1 4.37Å; M437-F480 HydrophobicContact CB-CE1 4.02Å; M437-F480 HydrophobicContact SD-CD1 4.44Å; M437-L498 HydrophobicContact CB-CD1 4.14Å; M437-L498 HydrophobicContact CG-CD1 4.38Å; M437-A501 HydrophobicContact CG-CB 4.27Å; M437-A501 HydrophobicContact SD-CB 3.52Å; M437-A501 VanDerWaalsContact SD-CB 3.52Å; M437-V502 HydrophobicContact CG-CG2 4.02Å; M437-H505 HydrophobicContact CE-CB 4.38Å; M437-M616 HydrophobicContact CB-CE 4.06Å
438A98.9Very high98Very high0 Ų029.5 Ų29.50%014%0.142CC..Hα-helixtrans-66.1-38.3171.900000111.9F434 V435 Q436 L441 A442 A612 L613 M616F434-A438 PolarHBondContact O-N 3.13Å; V435-A438 WeakPolarHBondContact O-CA 3.42Å; V435-A438 WeakPolarHBondContact O-CB 3.17Å; V435-A438 PolarHBondContact O-N 2.85Å; Q436-A438 VanDerWaalsContact C-N 3.34Å; Q436-A438 PolarHBondContact O-N 2.95Å; A438-L441 PolarHBondContact O-N 3.44Å; A438-A442 WeakPolarHBondContact O-CB 3.48Å; A438-A442 PolarHBondContact O-N 3.15Å; A438-A612 HydrophobicContact CB-CB 4.27Å; A438-A612 WeakPolarHBondContact O-CB 3.23Å; A438-L613 HydrophobicContact CB-CD2 3.56Å; A438-L613 HydrophobicContact CB-CG 3.78Å; A438-M616 WeakPolarHBondContact CA-SD 3.24Å; A438-M616 HydrophobicContact CB-CE 4.28Å; A438-M616 HydrophobicContact CB-SD 3.62Å
439L98.9Very high98.1Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-63.4-43.8173.5-61.8179.2000111.5V435 Q436 L441 A442 Y443 T555 V578 Y580 V609V435-L439 HydrophobicContact CG1-CG 4.5Å; V435-L439 WeakPolarHBondContact O-CG 3.32Å; V435-L439 PolarHBondContact O-N 2.87Å; Q436-L439 WeakPolarHBondContact O-CB 3.33Å; Q436-L439 PolarHBondContact O-N 3.2Å; L439-L441 PolarHBondContact O-N 3.09Å; L439-A442 PolarHBondContact O-N 3.45Å; L439-Y443 WeakPolarHBondContact O-CB 3.22Å; L439-Y443 PolarHBondContact O-N 3.44Å; L439-T555 HydrophobicContact CD1-CG2 3.99Å; L439-V578 HydrophobicContact CD1-CG1 4.08Å; L439-V578 HydrophobicContact CD2-CG1 4.05Å; L439-Y580 HydrophobicContact CD1-CE1 4.3Å; L439-V609 HydrophobicContact CD2-CB 4.48Å; L439-V609 HydrophobicContact CD2-CG1 3.96Å; L439-V609 HydrophobicContact CD2-CG2 3.61Å
440Q98.9Very high98.2Very high3 Ų324.9 Ų24.91%0.01412%0.124CC..Hα-helixtrans-61.8-42.9175.6-65.3-58-72.700111.8Q436 M437 Y443 F444 T453 T473 V481Q436-Q440 WeakPolarHBondContact O-CG 3.4Å; Q436-Q440 PolarHBondContact O-N 3.27Å; M437-Q440 HydrophobicContact CE-CG 4Å; M437-Q440 PolarHBondContact O-N 2.85Å; Q440-Y443 PolarHBondContact O-N 2.83Å; Q440-F444 WeakPolarHBondContact O-CB 3.48Å; Q440-F444 PolarHBondContact O-N 2.68Å; Q440-T453 PolarHBondContact NE2-OG1 3.41Å; Q440-T473 PolarHBondContact OE1-OG1 3.27Å; Q440-V481 HydrophobicContact CB-CG1 4.09Å
441L98.9Very high98.2Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-64.6-44.2177.7177.960.4000112M437 A438 L439 Y443 F444 R445 F480 V481 M484 A612 M616M437-L441 WeakPolarHBondContact O-CB 3.33Å; M437-L441 PolarHBondContact O-N 3.22Å; A438-L441 PolarHBondContact O-N 3.44Å; L439-L441 PolarHBondContact O-N 3.09Å; L441-Y443 VanDerWaalsContact C-N 3.34Å; L441-F444 PolarHBondContact O-N 3.36Å; L441-R445 HydrophobicContact CD1-CG 4.4Å; L441-R445 WeakPolarHBondContact O-CB 3.39Å; L441-R445 WeakPolarHBondContact O-CG 3.31Å; L441-R445 PolarHBondContact O-N 3.12Å; L441-F480 HydrophobicContact CB-CE1 4.32Å; L441-F480 HydrophobicContact CD2-CZ 4.29Å; L441-V481 HydrophobicContact CB-CG1 4Å; L441-V481 HydrophobicContact CD1-CB 4.19Å; L441-V481 HydrophobicContact CD1-CG1 4.28Å; L441-M484 HydrophobicContact CD1-CB 3.79Å; L441-M484 HydrophobicContact CD1-CG 3.83Å; L441-M484 HydrophobicContact CD2-CG 3.83Å; L441-A612 HydrophobicContact CB-CB 4.15Å; L441-A612 HydrophobicContact CD2-CB 3.91Å; L441-A612 HydrophobicContact CG-CB 4.02Å; L441-M616 HydrophobicContact CD2-CG 4.13Å; L441-M616 HydrophobicContact CD2-SD 4.27Å
442A98.9Very high98.3Very high0 Ų023.2 Ų23.20%011%0.113CC..Hα-helixtrans-61.3-43.8177.300000111.6A438 L439 R445 M446 F605 A608 V609 A612A438-A442 WeakPolarHBondContact O-CB 3.48Å; A438-A442 PolarHBondContact O-N 3.15Å; L439-A442 PolarHBondContact O-N 3.45Å; A442-R445 PolarHBondContact O-N 3.28Å; A442-M446 PolarHBondContact O-N 3.06Å; A442-F605 HydrophobicContact CB-CE2 4Å; A442-A608 HydrophobicContact CB-CB 3.94Å; A442-V609 HydrophobicContact CB-CB 4.34Å; A442-V609 HydrophobicContact CB-CG2 3.65Å; A442-A612 HydrophobicContact CB-CB 4.13Å
443Y98.8Very high98.3Very high17 Ų1722.8 Ų22.87%0.06711%0.11CC..Hα-helixtrans-65.4-48178.2-167.1-84.5000111.2L439 Q440 L441 R445 M446 Y447 L449 C451 L553 Y576 F605L439-Y443 WeakPolarHBondContact O-CB 3.22Å; L439-Y443 PolarHBondContact O-N 3.44Å; Q440-Y443 PolarHBondContact O-N 2.83Å; L441-Y443 VanDerWaalsContact C-N 3.34Å; Y443-R445 VanDerWaalsContact C-N 3.28Å; Y443-R445 PolarHBondContact O-N 3.06Å; Y443-M446 PolarHBondContact O-N 3.43Å; Y443-Y447 AromaticContact CD1-CD2 3.72Å; Y443-Y447 HydrophobicContact CD1-CD2 3.72Å; Y443-Y447 HydrophobicContact CD1-CG 4.49Å; Y443-Y447 AromaticContact CD2-CD2 3.61Å; Y443-Y447 HydrophobicContact CD2-CD2 3.61Å; Y443-Y447 AromaticContact CD2-CE2 3.6Å; Y443-Y447 HydrophobicContact CD2-CE2 3.6Å; Y443-Y447 AromaticContact CE1-CD2 3.56Å; Y443-Y447 HydrophobicContact CE1-CD2 3.56Å; Y443-Y447 HydrophobicContact CE1-CE2 4.38Å; Y443-Y447 HydrophobicContact CE1-CG 4.06Å; Y443-Y447 AromaticContact CE2-CD2 3.48Å; Y443-Y447 HydrophobicContact CE2-CD2 3.48Å; Y443-Y447 VanDerWaalsContact CE2-CD2 3.48Å; Y443-Y447 AromaticContact CE2-CE2 3.44Å; Y443-Y447 HydrophobicContact CE2-CE2 3.44Å; Y443-Y447 VanDerWaalsContact CE2-CE2 3.44Å; Y443-Y447 HydrophobicContact CE2-CG 4.47Å; Y443-Y447 AromaticContact CG-CD2 3.73Å; Y443-Y447 HydrophobicContact CG-CD2 3.73Å; Y443-Y447 HydrophobicContact CG-CE2 4.17Å; Y443-Y447 AromaticContact CZ-CD2 3.44Å; Y443-Y447 VanDerWaalsContact CZ-CD2 3.44Å; Y443-Y447 AromaticContact CZ-CE2 3.86Å; Y443-Y447 VanDerWaalsContact O-CD2 3.25Å; Y443-Y447 WeakPolarHBondContact O-CD2 3.33Å; Y443-Y447 PolarHBondContact O-N 2.96Å; Y443-L449 WeakPolarHBondContact CD1-O 3.09Å; Y443-L449 HydrophobicContact CE1-CD1 3.88Å; Y443-C451 HydrophobicContact CD1-CB 4.21Å; Y443-C451 HydrophobicContact CE1-CB 3.44Å; Y443-C451 VanDerWaalsContact CE1-CB 3.44Å; Y443-C451 WeakPolarHBondContact CE1-SG 3.41Å; Y443-C451 HydrophobicContact CE2-CB 4.37Å; Y443-C451 WeakPolarHBondContact OH-CB 3.39Å; Y443-L553 HydrophobicContact CD2-CD1 3.79Å; Y443-L553 HydrophobicContact CD2-CD2 3.84Å; Y443-L553 HydrophobicContact CD2-CG 3.79Å; Y443-L553 HydrophobicContact CE2-CD2 4.25Å; Y443-L553 HydrophobicContact CE2-CG 4.16Å; Y443-L553 HydrophobicContact CG-CD1 4Å; Y443-L553 HydrophobicContact CG-CG 4.45Å; Y443-Y576 HydrophobicContact CE2-CE2 4.48Å; Y443-F605 HydrophobicContact CD2-CE2 4.1Å; Y443-F605 HydrophobicContact CD2-CZ 4.35Å
444F98.8Very high98.3Very high18 Ų1823.2 Ų23.28%0.07911%0.112CC..Hα-helixtrans-58.3-39.2177.9-172-95.9000112.4Q440 L441 M446 D448 L478 V481 Q482 Q485Q440-F444 WeakPolarHBondContact O-CB 3.48Å; Q440-F444 PolarHBondContact O-N 2.68Å; L441-F444 PolarHBondContact O-N 3.36Å; F444-M446 VanDerWaalsContact C-N 3.32Å; F444-M446 PolarHBondContact O-N 3Å; F444-D448 VanDerWaalsContact O-CA 3.23Å; F444-D448 WeakPolarHBondContact O-CA 3.17Å; F444-D448 PolarHBondContact O-N 3.3Å; F444-L478 HydrophobicContact CE2-CD1 4.29Å; F444-V481 HydrophobicContact CB-CB 3.92Å; F444-V481 HydrophobicContact CB-CG1 4.47Å; F444-V481 HydrophobicContact CB-CG2 3.77Å; F444-V481 HydrophobicContact CD1-CB 4.09Å; F444-V481 HydrophobicContact CD1-CG2 3.95Å; F444-V481 HydrophobicContact CD2-CG2 3.69Å; F444-V481 HydrophobicContact CE2-CG2 4.3Å; F444-V481 HydrophobicContact CG-CB 3.94Å; F444-V481 HydrophobicContact CG-CG2 3.5Å; F444-V481 VanDerWaalsContact CG-CG2 3.5Å; F444-Q482 HydrophobicContact CE1-CG 4.4Å; F444-Q482 HydrophobicContact CE2-CG 4.27Å; F444-Q482 HydrophobicContact CZ-CG 3.84Å; F444-Q485 HydrophobicContact CD1-CG 3.91Å; F444-Q485 HydrophobicContact CE1-CB 4.47Å; F444-Q485 HydrophobicContact CE1-CG 3.88Å
445R98.3Very high98.3Very high73 Ų7323.3 Ų23.328%0.27511%0.113SC..Hα-helixtrans-64.7-32.9175.8-79.1174.4171.1178.5-4.8114.1L441 A442 Y443 Q485 D615L441-R445 HydrophobicContact CD1-CG 4.4Å; L441-R445 WeakPolarHBondContact O-CB 3.39Å; L441-R445 WeakPolarHBondContact O-CG 3.31Å; L441-R445 PolarHBondContact O-N 3.12Å; A442-R445 PolarHBondContact O-N 3.28Å; Y443-R445 VanDerWaalsContact C-N 3.28Å; Y443-R445 PolarHBondContact O-N 3.06Å; R445-Q485 HydrophobicContact CG-CG 4.47Å; R445-D615 IonicContact CZ-OD2 3.44Å; R445-D615 IonicContact NH1-OD2 2.7Å; R445-D615 PolarHBondContact NH1-OD2 3.4Å; R445-D615 IonicContact NH2-OD2 3.59Å; R445-D615 PolarHBondContact NH2-OD2 2.85Å
446M98.1Very high98.3Very high66 Ų6624.5 Ų24.533%0.32512%0.121SC..Hα-helixtrans-81.7-35.1-179.2-75.2-171.660.400112.7A442 Y443 F444 N604 F605 A608A442-M446 PolarHBondContact O-N 3.06Å; Y443-M446 PolarHBondContact O-N 3.43Å; F444-M446 VanDerWaalsContact C-N 3.32Å; F444-M446 PolarHBondContact O-N 3Å; M446-N604 HydrophobicContact CE-CB 4.03Å; M446-F605 HydrophobicContact SD-CB 4.13Å; M446-F605 HydrophobicContact SD-CD2 3.66Å; M446-F605 HydrophobicContact SD-CG 4.4Å; M446-A608 HydrophobicContact CG-CB 4Å; M446-A608 HydrophobicContact SD-CB 3.77Å
447Y98.1Very high98.2Very high52 Ų5224.7 Ų24.720%0.20412%0.122CC..Hα-helixtrans-119.3-5.5-167.3-57.7-70.7000114.5Y443 L449 Y576 D599Y443-Y447 AromaticContact CD1-CD2 3.72Å; Y443-Y447 HydrophobicContact CD1-CD2 3.72Å; Y443-Y447 HydrophobicContact CD1-CG 4.49Å; Y443-Y447 AromaticContact CD2-CD2 3.61Å; Y443-Y447 HydrophobicContact CD2-CD2 3.61Å; Y443-Y447 AromaticContact CD2-CE2 3.6Å; Y443-Y447 HydrophobicContact CD2-CE2 3.6Å; Y443-Y447 AromaticContact CE1-CD2 3.56Å; Y443-Y447 HydrophobicContact CE1-CD2 3.56Å; Y443-Y447 HydrophobicContact CE1-CE2 4.38Å; Y443-Y447 HydrophobicContact CE1-CG 4.06Å; Y443-Y447 AromaticContact CE2-CD2 3.48Å; Y443-Y447 HydrophobicContact CE2-CD2 3.48Å; Y443-Y447 VanDerWaalsContact CE2-CD2 3.48Å; Y443-Y447 AromaticContact CE2-CE2 3.44Å; Y443-Y447 HydrophobicContact CE2-CE2 3.44Å; Y443-Y447 VanDerWaalsContact CE2-CE2 3.44Å; Y443-Y447 HydrophobicContact CE2-CG 4.47Å; Y443-Y447 AromaticContact CG-CD2 3.73Å; Y443-Y447 HydrophobicContact CG-CD2 3.73Å; Y443-Y447 HydrophobicContact CG-CE2 4.17Å; Y443-Y447 AromaticContact CZ-CD2 3.44Å; Y443-Y447 VanDerWaalsContact CZ-CD2 3.44Å; Y443-Y447 AromaticContact CZ-CE2 3.86Å; Y443-Y447 VanDerWaalsContact O-CD2 3.25Å; Y443-Y447 WeakPolarHBondContact O-CD2 3.33Å; Y443-Y447 PolarHBondContact O-N 2.96Å; Y447-L449 WeakPolarHBondContact O-CG 3.48Å; Y447-L449 PolarHBondContact O-N 2.8Å; Y447-L449 VanDerWaalsContact O-N 3.09Å; Y447-Y576 HydrophobicContact CE2-CE2 4.19Å; Y447-Y576 WeakPolarHBondContact OH-CE2 3.46Å; Y447-Y576 PolarHBondContact OH-OH 3.1Å; Y447-D599 WeakPolarHBondContact CE1-O 3.4Å; Y447-D599 PolarHBondContact OH-O 2.94Å
448D96.9Very high98.1Very high133 Ų13326.5 Ų26.571%0.71113%0.134SC*.SBendtrans55.223.3-175.7-157.435.4000114F444F444-D448 VanDerWaalsContact O-CA 3.23Å; F444-D448 WeakPolarHBondContact O-CA 3.17Å; F444-D448 PolarHBondContact O-N 3.3Å
449L96.1Very high98.1Very high88 Ų8826.5 Ų26.546%0.46113%0.134SC..SBendtrans-150.1161.9179.36488.7000111.6Y443 Y447Y443-L449 WeakPolarHBondContact CD1-O 3.09Å; Y443-L449 HydrophobicContact CE1-CD1 3.88Å; Y447-L449 WeakPolarHBondContact O-CG 3.48Å; Y447-L449 PolarHBondContact O-N 2.8Å; Y447-L449 VanDerWaalsContact O-N 3.09Å
450C96.4Very high98Very high14 Ų1426.7 Ų26.710%0.09514%0.135CC..  trans-94.2152.1168.8-75.60000110.5T473C450-T473 HydrophobicContact CB-CG2 3.65Å
451C97.9Very high97.9Very high2 Ų227 Ų271%0.01414%0.136CC..  trans-126.9158.7-180660000111.9Y443 T453 T473 N552Y443-C451 HydrophobicContact CD1-CB 4.21Å; Y443-C451 HydrophobicContact CE1-CB 3.44Å; Y443-C451 VanDerWaalsContact CE1-CB 3.44Å; Y443-C451 WeakPolarHBondContact CE1-SG 3.41Å; Y443-C451 HydrophobicContact CE2-CB 4.37Å; Y443-C451 WeakPolarHBondContact OH-CB 3.39Å; C451-T453 PolarHBondContact O-N 3.2Å; C451-T453 PolarHBondContact O-OG1 2.85Å; C451-T473 WeakPolarHBondContact O-CB 3.48Å; C451-T473 PolarHBondContact O-OG1 3.13Å; C451-N552 HydrophobicContact CB-CB 3.82Å
452P98.6Very high97.8Very high7 Ų727.9 Ų27.95%0.04514%0.14CC..  trans-56115.8170-18.627.9000110.5I60 V547 H550 F551 N552 L553I60-P452 HydrophobicContact CD1-CB 4.3Å; I60-P452 HydrophobicContact CD1-CG 4Å; P452-V547 HydrophobicContact CG-CG1 4.07Å; P452-V547 WeakPolarHBondContact CG-O 3.49Å; P452-H550 WeakPolarHBondContact CB-O 3.37Å; P452-H550 WeakPolarHBondContact CG-O 3.28Å; P452-F551 HydrophobicContact CB-CD1 4.23Å; P452-F551 CarbonylContact O-C 3.54Å; P452-F551 WeakPolarHBondContact O-CA 3.41Å; P452-N552 PolarHBondContact O-N 2.86Å; P452-L553 PolarHBondContact O-N 3.47Å
453T98.8Very high97.7Very high1 Ų129.4 Ų29.41%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-114.2127.4-180-57.30000111Q440 C451 R471 T473 L553 T555Q440-T453 PolarHBondContact NE2-OG1 3.41Å; C451-T453 PolarHBondContact O-N 3.2Å; C451-T453 PolarHBondContact O-OG1 2.85Å; T453-R471 WeakPolarHBondContact O-CA 3.43Å; T453-T473 VanDerWaalsContact CB-OG1 3.32Å; T453-T473 WeakPolarHBondContact CB-OG1 3.28Å; T453-T473 PolarHBondContact OG1-OG1 2.89Å; T453-L553 CarbonylContact C-O 3.47Å; T453-L553 WeakPolarHBondContact CA-O 3.11Å; T453-L553 HydrophobicContact CG2-CB 3.74Å; T453-L553 HydrophobicContact CG2-CD1 4.45Å; T453-T555 HydrophobicContact CG2-CG2 4.2Å
454Y98.7Very high97.6Very high10 Ų1032.1 Ų32.14%0.03916%0.157CC..EExtended strand (participates in β ladder)trans-99.8137.7171.7177.7-80.4000110.4A469 R520 F551 L553 Y554 T555Y454-A469 HydrophobicContact CD2-CB 3.53Å; Y454-A469 HydrophobicContact CE2-CB 3.44Å; Y454-A469 VanDerWaalsContact CE2-CB 3.44Å; Y454-R520 PolarHBondContact OH-NH2 3.48Å; Y454-R520 VanDerWaalsContact OH-NH2 3.1Å; Y454-F551 HydrophobicContact CD2-CD2 4.42Å; Y454-F551 HydrophobicContact CD2-CE1 4.4Å; Y454-F551 HydrophobicContact CD2-CE2 4.05Å; Y454-F551 HydrophobicContact CD2-CZ 4.04Å; Y454-L553 PolarHBondContact N-O 3.22Å; Y454-Y554 AromaticContact CD1-CD2 3.33Å; Y454-Y554 HydrophobicContact CD1-CD2 3.33Å; Y454-Y554 AromaticContact CD1-CE2 3.19Å; Y454-Y554 HydrophobicContact CD1-CE2 3.19Å; Y454-Y554 HydrophobicContact CD1-CG 4.47Å; Y454-Y554 HydrophobicContact CD2-CE2 4.41Å; Y454-Y554 AromaticContact CE1-CD2 3.99Å; Y454-Y554 HydrophobicContact CE1-CD2 3.99Å; Y454-Y554 AromaticContact CE1-CE2 3.32Å; Y454-Y554 HydrophobicContact CE1-CE2 3.32Å; Y454-Y554 HydrophobicContact CE2-CE2 4.5Å; Y454-Y554 AromaticContact CG-CD2 3.7Å; Y454-Y554 HydrophobicContact CG-CD2 3.7Å; Y454-Y554 AromaticContact CG-CE2 3.81Å; Y454-Y554 HydrophobicContact CG-CE2 3.81Å; Y454-T555 WeakPolarHBondContact O-CA 3.26Å; Y454-T555 WeakPolarHBondContact O-CB 3.36Å; Y454-T555 PolarHBondContact O-N 2.97Å; Y454-T555 PolarHBondContact O-OG1 2.79Å
455E98.8Very high97.5Very high2 Ų231.3 Ų31.31%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-129.5139.1160.7171.3176.6-13600110.4Q436 A457 I470 H505 T555 Y580Q436-E455 PolarHBondContact NE2-OE1 3.42Å; E455-A457 PolarHBondContact O-N 3.23Å; E455-I470 HydrophobicContact CB-CB 4.04Å; E455-I470 HydrophobicContact CG-CB 4.42Å; E455-I470 HydrophobicContact CG-CD1 4.21Å; E455-I470 PolarHBondContact N-O 2.82Å; E455-I470 PolarHBondContact O-N 3.15Å; E455-H505 IonicContact OE2-CE1 2.69Å; E455-H505 PolarHBondContact OE2-CE1 2.94Å; E455-H505 IonicContact OE2-NE2 3.99Å; E455-H505 PolarHBondContact OE2-NE2 3.18Å; E455-T555 WeakPolarHBondContact CA-O 3.44Å; E455-T555 WeakPolarHBondContact CA-OG1 3.43Å; E455-T555 WeakPolarHBondContact CB-OG1 3.36Å; E455-Y580 PolarHBondContact OE1-OH 3.26Å
456S97.7Very high97.5Very high29 Ų2929.2 Ų29.220%0.20315%0.146CC..EExtended strand (participates in β ladder)trans-74.6120-179.6-164.60000112.6T467 T555S456-T467 VanDerWaalsContact OG-CG2 3.32Å; S456-T467 WeakPolarHBondContact OG-CG2 3.44Å; S456-T555 PolarHBondContact N-O 3.32Å
457A97.4Very high97.5Very high3 Ų326.3 Ų26.33%0.02513%0.132CC..EExtended strand (participates in β ladder)trans-104.5131.9168.700000111.8E455 T467 E468 I470 A512 I513E455-A457 PolarHBondContact O-N 3.23Å; A457-T467 CarbonylContact O-C 3.52Å; A457-T467 WeakPolarHBondContact O-CA 3.48Å; A457-E468 HydrophobicContact CB-CB 4.4Å; A457-E468 PolarHBondContact N-O 3.45Å; A457-E468 PolarHBondContact O-N 2.88Å; A457-I470 HydrophobicContact CB-CD1 3.75Å; A457-I470 HydrophobicContact CB-CG1 3.81Å; A457-A512 HydrophobicContact CB-CB 3.51Å; A457-I513 HydrophobicContact CB-CG2 4.3Å
458T96.8Very high97.5Very high38 Ų3824.2 Ų24.223%0.23312%0.124CC..EExtended strand (participates in β ladder)trans-70.3130.2173.6-178.80000112L165 R460 I513L165-T458 HydrophobicContact CD2-CG2 4.4Å; T458-R460 WeakPolarHBondContact OG1-CB 3.49Å; T458-R460 WeakPolarHBondContact OG1-CG 3.42Å; T458-R460 PolarHBondContact OG1-N 3.45Å; T458-I513 HydrophobicContact CG2-CG2 4.39Å
459L98Very high97.5Very high1 Ų118 Ų181%0.0059%0.091CC..  trans-99.112.5169.3-73.6176.7000112.5L41 M461 F462 G465 R466 T467 E468 A512L41-L459 HydrophobicContact CD1-CB 4.41Å; L41-L459 HydrophobicContact CD1-CD1 3.76Å; L41-L459 HydrophobicContact CD1-CD2 3.96Å; L41-L459 HydrophobicContact CD1-CG 4.28Å; L41-L459 HydrophobicContact CD2-CD1 4.34Å; L459-M461 PolarHBondContact O-N 2.7Å; L459-F462 HydrophobicContact CB-CD2 4.38Å; L459-F462 HydrophobicContact CD2-CD2 4.11Å; L459-F462 HydrophobicContact CD2-CE2 4.09Å; L459-F462 WeakPolarHBondContact O-CD2 3.45Å; L459-F462 PolarHBondContact O-N 3.38Å; L459-G465 WeakPolarHBondContact O-CA 3.2Å; L459-R466 PolarHBondContact N-O 2.85Å; L459-T467 WeakPolarHBondContact CD1-O 3.27Å; L459-E468 HydrophobicContact CD1-CB 3.93Å; L459-E468 HydrophobicContact CD2-CB 4.05Å; L459-E468 HydrophobicContact CG-CB 3.88Å; L459-A512 VanDerWaalsContact CD2-O 3.25Å; L459-A512 WeakPolarHBondContact CD2-O 3.26Å
460R97.3Very high97.7Very high4 Ų414 Ų142%0.0157%0.07CC..THydrogen-bonded Turntrans-62.4-8.5-175.4-70.5176.358.1-146.9-11.2114.1Q163 L170 C171 T458 F462 G465Q163-R460 VanDerWaalsContact OE1-CZ 3.24Å; L170-R460 CarbonylContact C-O 3.53Å; L170-R460 WeakPolarHBondContact CA-O 3.37Å; L170-R460 HydrophobicContact CB-CB 4.11Å; L170-R460 HydrophobicContact CD2-CB 4.16Å; C171-R460 HydrophobicContact CB-CB 4.31Å; C171-R460 WeakPolarHBondContact CB-O 3.16Å; C171-R460 PolarHBondContact N-O 3.3Å; C171-R460 VanDerWaalsContact O-CZ 3.26Å; C171-R460 PolarHBondContact O-NE 3.01Å; C171-R460 PolarHBondContact O-NH2 3.39Å; T458-R460 WeakPolarHBondContact OG1-CB 3.49Å; T458-R460 WeakPolarHBondContact OG1-CG 3.42Å; T458-R460 PolarHBondContact OG1-N 3.45Å; R460-F462 PolarHBondContact O-N 2.69Å; R460-G465 WeakPolarHBondContact CG-O 3.48Å
461M96.6Very high97.8Very high9 Ų914.2 Ų14.24%0.0447%0.069CC..THydrogen-bonded Turntrans-65.3-10.5168-65.5173.557.700113P39 L165 K168 L170 L459 I513P39-M461 WeakPolarHBondContact CD-O 3.36Å; P39-M461 WeakPolarHBondContact CG-O 3.31Å; L165-M461 HydrophobicContact CD2-SD 4.13Å; K168-M461 HydrophobicContact CB-CE 4.04Å; K168-M461 HydrophobicContact CD-CE 3.19Å; K168-M461 HydrophobicContact CG-CE 4.25Å; L170-M461 HydrophobicContact CD2-CB 4.42Å; L170-M461 HydrophobicContact CD2-CG 3.54Å; L459-M461 PolarHBondContact O-N 2.7Å; M461-I513 HydrophobicContact SD-CB 4.31Å; M461-I513 HydrophobicContact SD-CD1 4.37Å; M461-I513 HydrophobicContact SD-CG1 4.34Å
462F97.6Very high97.8Very high18 Ų1814.1 Ų14.18%0.0797%0.068CC..SBendtrans-115152.9177.2-53.8-75.2000111.5P39 K40 L41 P42 C171 L459 R460 Y464 G465 H514P39-F462 HydrophobicContact CB-CD1 4.15Å; P39-F462 HydrophobicContact CG-CD1 3.79Å; P39-F462 HydrophobicContact CG-CE1 4.16Å; P39-F462 CarbonylContact O-C 3.56Å; P39-F462 VanDerWaalsContact O-CA 3.24Å; P39-F462 WeakPolarHBondContact O-CA 3.31Å; K40-F462 WeakPolarHBondContact O-CD1 3.44Å; L41-F462 HydrophobicContact CB-CB 4.23Å; L41-F462 HydrophobicContact CB-CG 4.48Å; L41-F462 HydrophobicContact CD1-CB 4.15Å; L41-F462 HydrophobicContact CD1-CD2 3.56Å; L41-F462 HydrophobicContact CD1-CE2 4.13Å; L41-F462 HydrophobicContact CD1-CG 3.87Å; P42-F462 VanDerWaalsContact CD-CE1 3.42Å; P42-F462 HydrophobicContact CG-CE1 4.17Å; P42-F462 HydrophobicContact CG-CZ 4.13Å; C171-F462 WeakPolarHBondContact CB-O 3.27Å; L459-F462 HydrophobicContact CB-CD2 4.38Å; L459-F462 HydrophobicContact CD2-CD2 4.11Å; L459-F462 HydrophobicContact CD2-CE2 4.09Å; L459-F462 WeakPolarHBondContact O-CD2 3.45Å; L459-F462 PolarHBondContact O-N 3.38Å; R460-F462 PolarHBondContact O-N 2.69Å; F462-Y464 PolarHBondContact O-N 2.95Å; F462-G465 PolarHBondContact O-N 3.19Å; F462-H514 WeakPolarHBondContact CZ-O 3.33Å
463K96.4Very high97.8Very high32 Ų3214 Ų1414%0.1397%0.067CC..THydrogen-bonded Turntrans-55.9126.4176.4-164.3178.3179.5-175.60110.1L38 P39 D97 N98 G465L38-K463 HydrophobicContact CB-CB 4.2Å; P39-K463 PolarHBondContact O-N 3.18Å; D97-K463 HydrophobicContact CB-CD 4.03Å; D97-K463 IonicContact OD1-NZ 3.01Å; D97-K463 PolarHBondContact OD1-NZ 2.83Å; D97-K463 WeakPolarHBondContact OD2-CE 3.43Å; D97-K463 IonicContact OD2-NZ 3.16Å; D97-K463 PolarHBondContact OD2-NZ 3.44Å; N98-K463 WeakPolarHBondContact CB-O 3.48Å; N98-K463 PolarHBondContact ND2-O 3.14Å; K463-G465 PolarHBondContact O-N 2.85Å; K463-G465 VanDerWaalsContact O-N 3.12Å
464Y96.7Very high97.8Very high74 Ų7414.7 Ų14.729%0.297%0.072SC..THydrogen-bonded Turntrans55.523.1-175.3-51.1-58.4000115D97 N98 C171 D173 F462 R466D97-Y464 HydrophobicContact CB-CD2 3.86Å; D97-Y464 HydrophobicContact CB-CE2 3.71Å; N98-Y464 HydrophobicContact CB-CD2 4.49Å; N98-Y464 PolarHBondContact ND2-O 2.89Å; C171-Y464 PolarHBondContact SG-N 3.06Å; C171-Y464 VanDerWaalsContact SG-N 3.43Å; D173-Y464 HydrophobicContact CB-CD1 3.87Å; D173-Y464 HydrophobicContact CB-CE1 4.1Å; F462-Y464 PolarHBondContact O-N 2.95Å; Y464-R466 PolarHBondContact O-N 3.32Å
465G97.3Very high97.8Very high1 Ų115.5 Ų15.51%0.018%0.078CC..  trans-63.3130.4178.100000112.4Q174 L459 R460 F462 K463Q174-G465 PolarHBondContact NE2-O 2.87Å; Q174-G465 VanDerWaalsContact NE2-O 3.13Å; L459-G465 WeakPolarHBondContact O-CA 3.2Å; R460-G465 WeakPolarHBondContact CG-O 3.48Å; F462-G465 PolarHBondContact O-N 3.19Å; K463-G465 PolarHBondContact O-N 2.85Å; K463-G465 VanDerWaalsContact O-N 3.12Å
466R97.3Very high97.8Very high30 Ų3017 Ų1711%0.1139%0.086CC..  trans-104.3-102.4173-69.6-67.2-63.5-96.60.2109.7Y109 H345 A346 E349 L459 Y464Y109-R466 PolarHBondContact OH-NH2 2.93Å; H345-R466 PolarHBondContact O-NH2 2.83Å; H345-R466 VanDerWaalsContact O-NH2 3.07Å; A346-R466 PolarHBondContact O-NH1 3.11Å; E349-R466 IonicContact OE1-CZ 3.58Å; E349-R466 IonicContact OE1-NE 2.77Å; E349-R466 PolarHBondContact OE1-NE 2.89Å; E349-R466 IonicContact OE1-NH2 3.5Å; E349-R466 PolarHBondContact OE1-NH2 3.33Å; L459-R466 PolarHBondContact N-O 2.85Å; Y464-R466 PolarHBondContact O-N 3.32Å
467T97.8Very high97.8Very high5 Ų515.6 Ų15.63%0.0318%0.076CC..EExtended strand (participates in β ladder)trans-134.5155.9-175.254.60000113.2E349 S456 A457 L459 R520E349-T467 HydrophobicContact CG-CG2 3.66Å; E349-T467 VanDerWaalsContact OE2-CG2 3.27Å; E349-T467 WeakPolarHBondContact OE2-CG2 3.46Å; S456-T467 VanDerWaalsContact OG-CG2 3.32Å; S456-T467 WeakPolarHBondContact OG-CG2 3.44Å; A457-T467 CarbonylContact O-C 3.52Å; A457-T467 WeakPolarHBondContact O-CA 3.48Å; L459-T467 WeakPolarHBondContact CD1-O 3.27Å; T467-R520 WeakPolarHBondContact O-CG 3.4Å; T467-R520 PolarHBondContact O-NE 3.34Å; T467-R520 PolarHBondContact O-NH2 2.61Å; T467-R520 PolarHBondContact OG1-NH2 3.16Å; T467-R520 VanDerWaalsContact OG1-NH2 3.11Å
468E98.1Very high97.9Very high7 Ų717.2 Ų17.23%0.0338%0.084CC..EExtended strand (participates in β ladder)trans-126165.4165.6-177.453.1-79.800108.5A457 L459 A512 A517 D519 R520A457-E468 HydrophobicContact CB-CB 4.4Å; A457-E468 PolarHBondContact N-O 3.45Å; A457-E468 PolarHBondContact O-N 2.88Å; L459-E468 HydrophobicContact CD1-CB 3.93Å; L459-E468 HydrophobicContact CD2-CB 4.05Å; L459-E468 HydrophobicContact CG-CB 3.88Å; E468-A512 HydrophobicContact CG-CB 4.23Å; E468-A517 HydrophobicContact CG-CB 3.5Å; E468-D519 WeakPolarHBondContact OE1-CB 3.46Å; E468-R520 WeakPolarHBondContact OE1-CG 3.45Å; E468-R520 PolarHBondContact OE1-N 3.1Å; E468-R520 IonicContact OE1-NH1 2.73Å; E468-R520 VanDerWaalsContact OE2-CB 3.23Å; E468-R520 WeakPolarHBondContact OE2-CB 3.48Å; E468-R520 WeakPolarHBondContact OE2-CG 3.35Å; E468-R520 PolarHBondContact OE2-N 2.92Å
469A97.9Very high98Very high2 Ų219.9 Ų19.92%0.0179%0.092CC..EExtended strand (participates in β ladder)trans-92.7134.3174.200000111.9Y454 D519Y454-A469 HydrophobicContact CD2-CB 3.53Å; Y454-A469 HydrophobicContact CE2-CB 3.44Å; Y454-A469 VanDerWaalsContact CE2-CB 3.44Å; A469-D519 HydrophobicContact CB-CB 3.71Å
470I98.8Very high98Very high6 Ų619.8 Ų19.83%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-94.9127.9157.5-62.8156.9000106.6E455 A457 N508 T509 A512E455-I470 HydrophobicContact CB-CB 4.04Å; E455-I470 HydrophobicContact CG-CB 4.42Å; E455-I470 HydrophobicContact CG-CD1 4.21Å; E455-I470 PolarHBondContact N-O 2.82Å; E455-I470 PolarHBondContact O-N 3.15Å; A457-I470 HydrophobicContact CB-CD1 3.75Å; A457-I470 HydrophobicContact CB-CG1 3.81Å; I470-N508 HydrophobicContact CG2-CB 4.25Å; I470-T509 HydrophobicContact CD1-CG2 3.94Å; I470-A512 HydrophobicContact CG1-CB 3.66Å
471R98.4Very high98.1Very high18 Ų1819.6 Ų19.67%0.0689%0.091CC..EExtended strand (participates in β ladder)trans-92.1104.3172.6-68.7179.9172.9-93.7-1.5108.7T453 T473 D519 A548T453-R471 WeakPolarHBondContact O-CA 3.43Å; R471-T473 VanDerWaalsContact C-N 3.3Å; R471-D519 IonicContact CZ-OD1 2.76Å; R471-D519 IonicContact CZ-OD2 2.83Å; R471-D519 IonicContact NE-OD1 2.7Å; R471-D519 PolarHBondContact NE-OD1 2.72Å; R471-D519 IonicContact NE-OD2 2.66Å; R471-D519 PolarHBondContact NE-OD2 3.16Å; R471-D519 IonicContact NH2-OD1 3.25Å; R471-D519 PolarHBondContact NH2-OD1 2.66Å; R471-D519 IonicContact NH2-OD2 3.1Å; R471-A548 VanDerWaalsContact CZ-O 3.3Å; R471-A548 PolarHBondContact NH1-O 2.76Å; R471-A548 PolarHBondContact NH2-O 3.29Å
472S98.5Very high98.2Very high0 Ų023.6 Ų23.60%011%0.11CC..  trans-72.2-28.3-177.4-53.10000112.4Q436 T474 S477 H505Q436-S472 PolarHBondContact OE1-OG 2.95Å; S472-T474 PolarHBondContact O-N 3.34Å; S472-S477 PolarHBondContact O-OG 3.2Å; S472-H505 PolarHBondContact OG-CE1 2.89Å
473T98.7Very high98.2Very high4 Ų423 Ų233%0.02511%0.108CC..  trans-80.1117175.8-49.10000109.8P59 I60 Q440 C450 C451 T453 R471P59-T473 HydrophobicContact CB-CG2 4.18Å; P59-T473 HydrophobicContact CG-CG2 3.98Å; I60-T473 HydrophobicContact CG2-CG2 3.7Å; Q440-T473 PolarHBondContact OE1-OG1 3.27Å; C450-T473 HydrophobicContact CB-CG2 3.65Å; C451-T473 WeakPolarHBondContact O-CB 3.48Å; C451-T473 PolarHBondContact O-OG1 3.13Å; T453-T473 VanDerWaalsContact CB-OG1 3.32Å; T453-T473 WeakPolarHBondContact CB-OG1 3.28Å; T453-T473 PolarHBondContact OG1-OG1 2.89Å; R471-T473 VanDerWaalsContact C-N 3.3Å
474T98.6Very high98.3Very high16 Ų1622.6 Ų22.610%0.09811%0.107CC..  trans-142.2165.2-175.259.60000109S472 D476 S477 L478S472-T474 PolarHBondContact O-N 3.34Å; T474-D476 PolarHBondContact O-N 3.02Å; T474-S477 PolarHBondContact N-OG 2.83Å; T474-S477 PolarHBondContact O-N 3.05Å; T474-S477 PolarHBondContact O-OG 3.36Å; T474-S477 PolarHBondContact OG1-N 3.07Å; T474-S477 PolarHBondContact OG1-OG 3.46Å; T474-L478 WeakPolarHBondContact O-CB 3.42Å; T474-L478 PolarHBondContact O-N 3.24Å
475V98.4Very high98.3Very high27 Ų2722.9 Ų22.916%0.16411%0.111CC..Hα-helixtrans-56.5-36.9171.91770000111.7E58 K479E58-V475 HydrophobicContact CB-CG2 3.94Å; E58-V475 HydrophobicContact CG-CG2 3.87Å; E58-V475 WeakPolarHBondContact OE2-CG2 3.47Å; V475-K479 HydrophobicContact CG1-CD 4.1Å; V475-K479 VanDerWaalsContact O-CG 3.29Å; V475-K479 WeakPolarHBondContact O-CG 3.34Å; V475-K479 PolarHBondContact O-N 3.43Å
476D98.8Very high98.3Very high33 Ų3325.4 Ų25.418%0.17612%0.124CC..Hα-helixtrans-73.3-37.7179.3-69.1-47.3000112.4T474 F480 K500 A501 A504T474-D476 PolarHBondContact O-N 3.02Å; D476-F480 WeakPolarHBondContact O-CB 3.25Å; D476-F480 PolarHBondContact O-N 3.28Å; D476-K500 VanDerWaalsContact OD1-CD 3.27Å; D476-K500 WeakPolarHBondContact OD1-CD 3.44Å; D476-K500 WeakPolarHBondContact OD1-CE 3.32Å; D476-K500 IonicContact OD1-NZ 2.63Å; D476-K500 PolarHBondContact OD1-NZ 3.5Å; D476-K500 IonicContact OD2-NZ 3.75Å; D476-A501 HydrophobicContact CB-CB 4.33Å; D476-A504 HydrophobicContact CB-CB 4.15Å
477S98.8Very high98.2Very high0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-65.6-41.6172.769.70000111.5S472 T474 F480 V481S472-S477 PolarHBondContact O-OG 3.2Å; T474-S477 PolarHBondContact N-OG 2.83Å; T474-S477 PolarHBondContact O-N 3.05Å; T474-S477 PolarHBondContact O-OG 3.36Å; T474-S477 PolarHBondContact OG1-N 3.07Å; T474-S477 PolarHBondContact OG1-OG 3.46Å; S477-F480 WeakPolarHBondContact O-CB 3.28Å; S477-F480 PolarHBondContact O-N 3.23Å; S477-V481 WeakPolarHBondContact O-CG1 3.42Å; S477-V481 WeakPolarHBondContact O-CG2 3.4Å; S477-V481 PolarHBondContact O-N 3.16Å
478L98.6Very high98.2Very high36 Ų3633.7 Ų33.719%0.18818%0.184CC..Hα-helixtrans-58.1-49.8175.617560.6000111.3P59 F444 T474 F480 V481 Q482P59-L478 HydrophobicContact CB-CB 4.26Å; P59-L478 HydrophobicContact CB-CD2 3.99Å; F444-L478 HydrophobicContact CE2-CD1 4.29Å; T474-L478 WeakPolarHBondContact O-CB 3.42Å; T474-L478 PolarHBondContact O-N 3.24Å; L478-F480 VanDerWaalsContact C-N 3.28Å; L478-F480 PolarHBondContact O-N 3.45Å; L478-V481 HydrophobicContact CD1-CG2 4.49Å; L478-V481 VanDerWaalsContact O-CG2 3.25Å; L478-V481 WeakPolarHBondContact O-CG2 3.29Å; L478-V481 PolarHBondContact O-N 3.44Å; L478-Q482 HydrophobicContact CD1-CG 4.01Å; L478-Q482 WeakPolarHBondContact O-CB 3.35Å; L478-Q482 VanDerWaalsContact O-CG 3.32Å; L478-Q482 WeakPolarHBondContact O-CG 3.34Å; L478-Q482 PolarHBondContact O-N 2.94Å
479K98.7Very high98.1Very high94 Ų9436.2 Ų36.241%0.40920%0.195SC..Hα-helixtrans-59.8-39.4177.5-74.6171.1-178.71690112.3V475 A483 L497V475-K479 HydrophobicContact CG1-CD 4.1Å; V475-K479 VanDerWaalsContact O-CG 3.29Å; V475-K479 WeakPolarHBondContact O-CG 3.34Å; V475-K479 PolarHBondContact O-N 3.43Å; K479-A483 WeakPolarHBondContact O-CB 3.35Å; K479-A483 PolarHBondContact O-N 3.37Å; K479-A483 VanDerWaalsContact O-N 3.11Å; K479-L497 HydrophobicContact CB-CD2 4.33Å
480F98.8Very high97.9Very high0 Ų043.1 Ų43.10%023%0.227CC..Hα-helixtrans-63.5-52175.8160-113.3000112M437 L441 D476 S477 L478 Q482 A483 M484 L497 L498 A501 M616M437-F480 HydrophobicContact CB-CD1 4.37Å; M437-F480 HydrophobicContact CB-CE1 4.02Å; M437-F480 HydrophobicContact SD-CD1 4.44Å; L441-F480 HydrophobicContact CB-CE1 4.32Å; L441-F480 HydrophobicContact CD2-CZ 4.29Å; D476-F480 WeakPolarHBondContact O-CB 3.25Å; D476-F480 PolarHBondContact O-N 3.28Å; S477-F480 WeakPolarHBondContact O-CB 3.28Å; S477-F480 PolarHBondContact O-N 3.23Å; L478-F480 VanDerWaalsContact C-N 3.28Å; L478-F480 PolarHBondContact O-N 3.45Å; F480-Q482 VanDerWaalsContact C-N 3.33Å; F480-Q482 PolarHBondContact O-N 3.03Å; F480-A483 PolarHBondContact O-N 3.42Å; F480-M484 HydrophobicContact CE2-CB 4.45Å; F480-M484 HydrophobicContact CE2-SD 4.46Å; F480-M484 PolarHBondContact O-N 3.28Å; F480-L497 HydrophobicContact CB-CB 4.28Å; F480-L498 HydrophobicContact CD1-CD1 4.45Å; F480-L498 HydrophobicContact CD2-CB 3.71Å; F480-L498 HydrophobicContact CD2-CD1 4.29Å; F480-L498 HydrophobicContact CE1-CD1 4.05Å; F480-L498 HydrophobicContact CE2-CB 3.66Å; F480-L498 HydrophobicContact CE2-CD1 3.88Å; F480-L498 HydrophobicContact CE2-CG 4.21Å; F480-L498 HydrophobicContact CZ-CB 4.41Å; F480-L498 HydrophobicContact CZ-CD1 3.75Å; F480-A501 HydrophobicContact CB-CB 3.95Å; F480-A501 HydrophobicContact CG-CB 4.46Å; F480-M616 HydrophobicContact CE1-SD 4.39Å; F480-M616 HydrophobicContact CZ-CG 4.11Å; F480-M616 HydrophobicContact CZ-SD 4.08Å
481V98.7Very high97.8Very high0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-65.5-38.2-175.7-59.50000111.7Q440 L441 F444 S477 L478 M484 Q485Q440-V481 HydrophobicContact CB-CG1 4.09Å; L441-V481 HydrophobicContact CB-CG1 4Å; L441-V481 HydrophobicContact CD1-CB 4.19Å; L441-V481 HydrophobicContact CD1-CG1 4.28Å; F444-V481 HydrophobicContact CB-CB 3.92Å; F444-V481 HydrophobicContact CB-CG1 4.47Å; F444-V481 HydrophobicContact CB-CG2 3.77Å; F444-V481 HydrophobicContact CD1-CB 4.09Å; F444-V481 HydrophobicContact CD1-CG2 3.95Å; F444-V481 HydrophobicContact CD2-CG2 3.69Å; F444-V481 HydrophobicContact CE2-CG2 4.3Å; F444-V481 HydrophobicContact CG-CB 3.94Å; F444-V481 HydrophobicContact CG-CG2 3.5Å; F444-V481 VanDerWaalsContact CG-CG2 3.5Å; S477-V481 WeakPolarHBondContact O-CG1 3.42Å; S477-V481 WeakPolarHBondContact O-CG2 3.4Å; S477-V481 PolarHBondContact O-N 3.16Å; L478-V481 HydrophobicContact CD1-CG2 4.49Å; L478-V481 VanDerWaalsContact O-CG2 3.25Å; L478-V481 WeakPolarHBondContact O-CG2 3.29Å; L478-V481 PolarHBondContact O-N 3.44Å; V481-M484 WeakPolarHBondContact O-CB 3.23Å; V481-M484 PolarHBondContact O-N 3.28Å; V481-Q485 PolarHBondContact O-N 3.22Å
482Q98.6Very high97.6Very high93 Ų9352.1 Ų52.144%0.43527%0.268SS..Hα-helixtrans-60.8-48.1173.4-73.5176-30.500111.8F444 L478 F480 M484 Q485 D486F444-Q482 HydrophobicContact CE1-CG 4.4Å; F444-Q482 HydrophobicContact CE2-CG 4.27Å; F444-Q482 HydrophobicContact CZ-CG 3.84Å; L478-Q482 HydrophobicContact CD1-CG 4.01Å; L478-Q482 WeakPolarHBondContact O-CB 3.35Å; L478-Q482 VanDerWaalsContact O-CG 3.32Å; L478-Q482 WeakPolarHBondContact O-CG 3.34Å; L478-Q482 PolarHBondContact O-N 2.94Å; F480-Q482 VanDerWaalsContact C-N 3.33Å; F480-Q482 PolarHBondContact O-N 3.03Å; Q482-M484 PolarHBondContact O-N 3.25Å; Q482-Q485 PolarHBondContact O-N 3.01Å; Q482-D486 PolarHBondContact O-N 3.47Å
483A98.5Very high97.5Very high5 Ų556 Ų564%0.04129%0.287CS..Hα-helixtrans-65.7-28.1179.200000113.3K479 F480 Q485 K489 R494 L497K479-A483 WeakPolarHBondContact O-CB 3.35Å; K479-A483 PolarHBondContact O-N 3.37Å; K479-A483 VanDerWaalsContact O-N 3.11Å; F480-A483 PolarHBondContact O-N 3.42Å; A483-Q485 VanDerWaalsContact C-N 3.27Å; A483-K489 HydrophobicContact CB-CG 4.16Å; A483-R494 HydrophobicContact CB-CG 4.5Å; A483-R494 WeakPolarHBondContact O-CG 3.4Å; A483-R494 PolarHBondContact O-NE 3.24Å; A483-L497 HydrophobicContact CB-CD1 3.27Å
484M98.2Very high97.5Very high23 Ų2357.8 Ų57.811%0.11329%0.293CS..Hα-helixtrans-70.8-24.4174.3-161.166.9-179.300112.3L441 F480 V481 Q482 D615 L619L441-M484 HydrophobicContact CD1-CB 3.79Å; L441-M484 HydrophobicContact CD1-CG 3.83Å; L441-M484 HydrophobicContact CD2-CG 3.83Å; F480-M484 HydrophobicContact CE2-CB 4.45Å; F480-M484 HydrophobicContact CE2-SD 4.46Å; F480-M484 PolarHBondContact O-N 3.28Å; V481-M484 WeakPolarHBondContact O-CB 3.23Å; V481-M484 PolarHBondContact O-N 3.28Å; Q482-M484 PolarHBondContact O-N 3.25Å; M484-D615 HydrophobicContact CE-CB 3.73Å; M484-L619 HydrophobicContact CE-CD2 4.49Å; M484-L619 HydrophobicContact SD-CD2 4.13Å
485Q97Very high97.5Very high81 Ų8157.4 Ų57.438%0.37929%0.29SS..Hα-helixtrans-92.4-17.9175.5-62-40.4-75.800113.4F444 R445 V481 Q482 A483 P487F444-Q485 HydrophobicContact CD1-CG 3.91Å; F444-Q485 HydrophobicContact CE1-CB 4.47Å; F444-Q485 HydrophobicContact CE1-CG 3.88Å; R445-Q485 HydrophobicContact CG-CG 4.47Å; V481-Q485 PolarHBondContact O-N 3.22Å; Q482-Q485 PolarHBondContact O-N 3.01Å; A483-Q485 VanDerWaalsContact C-N 3.27Å; Q485-P487 WeakPolarHBondContact O-CD 3.41Å
486D97.2Very high97.4Very high53 Ų5358.6 Ų58.628%0.28330%0.302SS..  trans-82.7113.2-179.1-178.9-9000111.6Q482 S488 K489 R494Q482-D486 PolarHBondContact O-N 3.47Å; D486-S488 PolarHBondContact O-N 2.85Å; D486-S488 WeakPolarHBondContact OD1-CA 3.12Å; D486-S488 VanDerWaalsContact OD1-CB 3.23Å; D486-S488 WeakPolarHBondContact OD1-CB 3.38Å; D486-S488 PolarHBondContact OD1-N 3Å; D486-S488 PolarHBondContact OD1-OG 3.33Å; D486-S488 PolarHBondContact OD2-OG 3.09Å; D486-K489 HydrophobicContact CB-CB 4.45Å; D486-K489 HydrophobicContact CB-CG 3.66Å; D486-K489 WeakPolarHBondContact O-CB 3.43Å; D486-K489 PolarHBondContact O-N 3.17Å; D486-K489 WeakPolarHBondContact OD2-CE 3.08Å; D486-K489 WeakPolarHBondContact OD2-CG 3.23Å; D486-R494 PolarHBondContact O-NH2 3.31Å
487P95.1Very high97.4Very high121 Ų12158.8 Ų58.879%0.78630%0.303SS*.THydrogen-bonded Turntrans-67.6-17.4-179.429.2-35.5000113.5Q485 K489Q485-P487 WeakPolarHBondContact O-CD 3.41Å; P487-K489 VanDerWaalsContact C-N 3.27Å
488S96.9Very high97.4Very high88 Ų8858.8 Ų58.862%0.61530%0.303SS*.THydrogen-bonded Turntrans-75.3-18.1176.2780000112.9D486D486-S488 PolarHBondContact O-N 2.85Å; D486-S488 WeakPolarHBondContact OD1-CA 3.12Å; D486-S488 VanDerWaalsContact OD1-CB 3.23Å; D486-S488 WeakPolarHBondContact OD1-CB 3.38Å; D486-S488 PolarHBondContact OD1-N 3Å; D486-S488 PolarHBondContact OD1-OG 3.33Å; D486-S488 PolarHBondContact OD2-OG 3.09Å
489K96.1Very high97.4Very high61 Ų6160.7 Ų60.727%0.26531%0.311SS..SBendtrans-81.2126.8-177.3-62.2-68.8176.7-176.60111.5A483 D486 P487 E493 R494A483-K489 HydrophobicContact CB-CG 4.16Å; D486-K489 HydrophobicContact CB-CB 4.45Å; D486-K489 HydrophobicContact CB-CG 3.66Å; D486-K489 WeakPolarHBondContact O-CB 3.43Å; D486-K489 PolarHBondContact O-N 3.17Å; D486-K489 WeakPolarHBondContact OD2-CE 3.08Å; D486-K489 WeakPolarHBondContact OD2-CG 3.23Å; P487-K489 VanDerWaalsContact C-N 3.27Å; K489-E493 HydrophobicContact CD-CG 4.38Å; K489-E493 VanDerWaalsContact CD-OE1 3.32Å; K489-E493 WeakPolarHBondContact CD-OE1 3.01Å; K489-E493 WeakPolarHBondContact CD-OE2 3.32Å; K489-E493 WeakPolarHBondContact CE-OE1 3.37Å; K489-E493 IonicContact NZ-OE1 3.86Å; K489-E493 PolarHBondContact NZ-OE1 3.46Å; K489-E493 IonicContact NZ-OE2 3.86Å; K489-R494 HydrophobicContact CB-CG 4.05Å; K489-R494 PolarHBondContact O-NE 3.46Å; K489-R494 PolarHBondContact O-NH2 3.15Å
490Q95.4Very high97.4Very high146 Ų14661.2 Ų61.268%0.68231%0.313SS*.  trans-73.2150.8175.4-62.2-178.18.800111K492 E493 R494Q490-K492 PolarHBondContact O-N 3.26Å; Q490-K492 VanDerWaalsContact O-N 3.14Å; Q490-E493 WeakPolarHBondContact O-CB 3.04Å; Q490-E493 PolarHBondContact O-N 3Å; Q490-R494 PolarHBondContact O-N 3.26Å
491N95.3Very high97.4Very high51 Ų5161.2 Ų61.227%0.27331%0.313SS..Hα-helixtrans-55.3-34.5177.4-75.6-5.7000113.2E493 R494 F495 L619 E622N491-E493 VanDerWaalsContact C-N 3.32Å; N491-E493 PolarHBondContact O-N 2.96Å; N491-R494 PolarHBondContact O-N 3.37Å; N491-R494 PolarHBondContact OD1-NH1 3Å; N491-F495 VanDerWaalsContact O-CB 3.26Å; N491-F495 WeakPolarHBondContact O-CB 3.32Å; N491-F495 PolarHBondContact O-N 3.33Å; N491-L619 HydrophobicContact CB-CD1 3.83Å; N491-L619 WeakPolarHBondContact O-CD1 3.04Å; N491-E622 PolarHBondContact ND2-OE2 3.2Å
492K95.3Very high97.3Very high162 Ų16261.4 Ų61.470%0.70432%0.315SS*.Hα-helixtrans-60.8-40175-173.3179178.8-178.90112.4Q490 A496Q490-K492 PolarHBondContact O-N 3.26Å; Q490-K492 VanDerWaalsContact O-N 3.14Å; K492-A496 WeakPolarHBondContact O-CB 3.33Å; K492-A496 PolarHBondContact O-N 2.84Å; K492-A496 VanDerWaalsContact O-N 3.12Å
493E96.8Very high97.3Very high83 Ų8360.4 Ų60.439%0.38831%0.31SS..Hα-helixtrans-73.1-46.3178-171.4179.3170.800110.9K489 Q490 N491 F495 A496 L497K489-E493 HydrophobicContact CD-CG 4.38Å; K489-E493 VanDerWaalsContact CD-OE1 3.32Å; K489-E493 WeakPolarHBondContact CD-OE1 3.01Å; K489-E493 WeakPolarHBondContact CD-OE2 3.32Å; K489-E493 WeakPolarHBondContact CE-OE1 3.37Å; K489-E493 IonicContact NZ-OE1 3.86Å; K489-E493 PolarHBondContact NZ-OE1 3.46Å; K489-E493 IonicContact NZ-OE2 3.86Å; Q490-E493 WeakPolarHBondContact O-CB 3.04Å; Q490-E493 PolarHBondContact O-N 3Å; N491-E493 VanDerWaalsContact C-N 3.32Å; N491-E493 PolarHBondContact O-N 2.96Å; E493-F495 VanDerWaalsContact C-N 3.28Å; E493-F495 PolarHBondContact O-N 3.18Å; E493-A496 PolarHBondContact O-N 3.25Å; E493-A496 VanDerWaalsContact O-N 3.15Å; E493-L497 HydrophobicContact CG-CD1 4.37Å; E493-L497 WeakPolarHBondContact O-CG 3.29Å; E493-L497 PolarHBondContact O-N 2.99Å
494R98.2Very high97.3Very high41 Ų4160.8 Ų60.816%0.15531%0.313CS..Hα-helixtrans-55.4-44.4174.5-66.9176.9178.9156.5-1.6111.8A483 D486 K489 Q490 N491 L497 L498 L619A483-R494 HydrophobicContact CB-CG 4.5Å; A483-R494 WeakPolarHBondContact O-CG 3.4Å; A483-R494 PolarHBondContact O-NE 3.24Å; D486-R494 PolarHBondContact O-NH2 3.31Å; K489-R494 HydrophobicContact CB-CG 4.05Å; K489-R494 PolarHBondContact O-NE 3.46Å; K489-R494 PolarHBondContact O-NH2 3.15Å; Q490-R494 PolarHBondContact O-N 3.26Å; N491-R494 PolarHBondContact O-N 3.37Å; N491-R494 PolarHBondContact OD1-NH1 3Å; R494-L497 PolarHBondContact O-N 3.27Å; R494-L498 PolarHBondContact O-N 3.45Å; R494-L619 HydrophobicContact CB-CD1 3.95Å; R494-L619 HydrophobicContact CB-CD2 4.08Å
495F97.3Very high97.3Very high8 Ų859.8 Ų59.84%0.03531%0.308CS..Hα-helixtrans-66-41.9177.9-178.9-116.5000112.1N491 E493 L497 L498 Q499 L619 L620 T623N491-F495 VanDerWaalsContact O-CB 3.26Å; N491-F495 WeakPolarHBondContact O-CB 3.32Å; N491-F495 PolarHBondContact O-N 3.33Å; E493-F495 VanDerWaalsContact C-N 3.28Å; E493-F495 PolarHBondContact O-N 3.18Å; F495-L497 VanDerWaalsContact C-N 3.3Å; F495-L497 PolarHBondContact O-N 3.01Å; F495-L498 HydrophobicContact CD2-CD2 4.4Å; F495-L498 WeakPolarHBondContact O-CB 3.4Å; F495-L498 PolarHBondContact O-N 2.91Å; F495-Q499 HydrophobicContact CD1-CG 4.37Å; F495-Q499 HydrophobicContact CD2-CG 4.37Å; F495-Q499 HydrophobicContact CE1-CG 3.94Å; F495-Q499 VanDerWaalsContact CE1-OE1 3.31Å; F495-Q499 HydrophobicContact CE2-CG 3.87Å; F495-Q499 VanDerWaalsContact CZ-CD 3.49Å; F495-Q499 HydrophobicContact CZ-CG 3.67Å; F495-Q499 WeakPolarHBondContact O-CG 3.45Å; F495-Q499 PolarHBondContact O-N 3.48Å; F495-L619 HydrophobicContact CB-CD1 4.21Å; F495-L619 HydrophobicContact CB-CD2 4.42Å; F495-L619 HydrophobicContact CB-CG 4.22Å; F495-L620 HydrophobicContact CD2-CD2 3.83Å; F495-L620 HydrophobicContact CE2-CD2 3.27Å; F495-L620 HydrophobicContact CZ-CD2 4.23Å; F495-T623 HydrophobicContact CB-CG2 4.11Å; F495-T623 HydrophobicContact CD1-CG2 3.65Å; F495-T623 HydrophobicContact CE1-CG2 4.35Å; F495-T623 HydrophobicContact CG-CG2 3.99Å
496A97.6Very high97.3Very high51 Ų5158.6 Ų58.642%0.42130%0.302SS..Hα-helixtrans-61.2-39.9175.800000112.1K492 E493 Q499 K500K492-A496 WeakPolarHBondContact O-CB 3.33Å; K492-A496 PolarHBondContact O-N 2.84Å; K492-A496 VanDerWaalsContact O-N 3.12Å; E493-A496 PolarHBondContact O-N 3.25Å; E493-A496 VanDerWaalsContact O-N 3.15Å; A496-Q499 PolarHBondContact O-N 3.29Å; A496-K500 PolarHBondContact O-N 2.96Å
497L98.6Very high97.4Very high37 Ų3760.9 Ų60.919%0.19431%0.311CS..Hα-helixtrans-67.9-40.2175.3-68.9169.8000112.1K479 F480 A483 E493 R494 F495 Q499 K500 A501K479-L497 HydrophobicContact CB-CD2 4.33Å; F480-L497 HydrophobicContact CB-CB 4.28Å; A483-L497 HydrophobicContact CB-CD1 3.27Å; E493-L497 HydrophobicContact CG-CD1 4.37Å; E493-L497 WeakPolarHBondContact O-CG 3.29Å; E493-L497 PolarHBondContact O-N 2.99Å; R494-L497 PolarHBondContact O-N 3.27Å; F495-L497 VanDerWaalsContact C-N 3.3Å; F495-L497 PolarHBondContact O-N 3.01Å; L497-Q499 PolarHBondContact O-N 3.12Å; L497-K500 PolarHBondContact O-N 2.78Å; L497-A501 WeakPolarHBondContact O-CB 3.4Å; L497-A501 PolarHBondContact O-N 2.64Å
498L98.6Very high97.5Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-58-47.3171.5174.559.7000111.4F434 M437 F480 R494 F495 K500 A501 V502 M616 L619 L620F434-L498 HydrophobicContact CE2-CD2 4.31Å; M437-L498 HydrophobicContact CB-CD1 4.14Å; M437-L498 HydrophobicContact CG-CD1 4.38Å; F480-L498 HydrophobicContact CD1-CD1 4.45Å; F480-L498 HydrophobicContact CD2-CB 3.71Å; F480-L498 HydrophobicContact CD2-CD1 4.29Å; F480-L498 HydrophobicContact CE1-CD1 4.05Å; F480-L498 HydrophobicContact CE2-CB 3.66Å; F480-L498 HydrophobicContact CE2-CD1 3.88Å; F480-L498 HydrophobicContact CE2-CG 4.21Å; F480-L498 HydrophobicContact CZ-CB 4.41Å; F480-L498 HydrophobicContact CZ-CD1 3.75Å; R494-L498 PolarHBondContact O-N 3.45Å; F495-L498 HydrophobicContact CD2-CD2 4.4Å; F495-L498 WeakPolarHBondContact O-CB 3.4Å; F495-L498 PolarHBondContact O-N 2.91Å; L498-K500 VanDerWaalsContact C-N 3.28Å; L498-K500 PolarHBondContact O-N 3.35Å; L498-A501 PolarHBondContact O-N 3.12Å; L498-V502 HydrophobicContact CD1-CG2 3.9Å; L498-V502 HydrophobicContact CG-CG2 4.43Å; L498-V502 WeakPolarHBondContact O-CB 3.26Å; L498-V502 WeakPolarHBondContact O-CG2 3.43Å; L498-V502 PolarHBondContact O-N 3.07Å; L498-M616 HydrophobicContact CD1-CE 3.72Å; L498-M616 HydrophobicContact CD2-CE 4.37Å; L498-L619 HydrophobicContact CD2-CD2 4.13Å; L498-L620 HydrophobicContact CD2-CD2 4.39Å
499Q98Very high97.5Very high76 Ų7654 Ų5436%0.35526%0.261SS..Hα-helixtrans-59.7-41.5178.2-70.8-172.6-71.100111.4L429 F495 A496 L497 Q503L429-Q499 HydrophobicContact CD2-CG 4.33Å; F495-Q499 HydrophobicContact CD1-CG 4.37Å; F495-Q499 HydrophobicContact CD2-CG 4.37Å; F495-Q499 HydrophobicContact CE1-CG 3.94Å; F495-Q499 VanDerWaalsContact CE1-OE1 3.31Å; F495-Q499 HydrophobicContact CE2-CG 3.87Å; F495-Q499 VanDerWaalsContact CZ-CD 3.49Å; F495-Q499 HydrophobicContact CZ-CG 3.67Å; F495-Q499 WeakPolarHBondContact O-CG 3.45Å; F495-Q499 PolarHBondContact O-N 3.48Å; A496-Q499 PolarHBondContact O-N 3.29Å; L497-Q499 PolarHBondContact O-N 3.12Å; Q499-Q503 VanDerWaalsContact O-CB 3.3Å; Q499-Q503 WeakPolarHBondContact O-CB 3.46Å; Q499-Q503 PolarHBondContact O-N 2.87Å
500K98.6Very high97.6Very high105 Ų10554.2 Ų54.246%0.45726%0.263SS..Hα-helixtrans-64.6-47177.6-164.9-177.2-176.3-1480111.9D476 A496 L497 L498 Q503 A504D476-K500 VanDerWaalsContact OD1-CD 3.27Å; D476-K500 WeakPolarHBondContact OD1-CD 3.44Å; D476-K500 WeakPolarHBondContact OD1-CE 3.32Å; D476-K500 IonicContact OD1-NZ 2.63Å; D476-K500 PolarHBondContact OD1-NZ 3.5Å; D476-K500 IonicContact OD2-NZ 3.75Å; A496-K500 PolarHBondContact O-N 2.96Å; L497-K500 PolarHBondContact O-N 2.78Å; L498-K500 VanDerWaalsContact C-N 3.28Å; L498-K500 PolarHBondContact O-N 3.35Å; K500-Q503 PolarHBondContact O-N 2.78Å; K500-A504 WeakPolarHBondContact O-CB 3.45Å; K500-A504 PolarHBondContact O-N 3Å
501A98.8Very high97.7Very high0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-63.8-42.5178.900000112.1M437 D476 F480 L497 L498 Q503 A504 H505M437-A501 HydrophobicContact CG-CB 4.27Å; M437-A501 HydrophobicContact SD-CB 3.52Å; M437-A501 VanDerWaalsContact SD-CB 3.52Å; D476-A501 HydrophobicContact CB-CB 4.33Å; F480-A501 HydrophobicContact CB-CB 3.95Å; F480-A501 HydrophobicContact CG-CB 4.46Å; L497-A501 WeakPolarHBondContact O-CB 3.4Å; L497-A501 PolarHBondContact O-N 2.64Å; L498-A501 PolarHBondContact O-N 3.12Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3.41Å; A501-A504 PolarHBondContact O-N 2.83Å; A501-H505 WeakPolarHBondContact O-CB 3.31Å; A501-H505 PolarHBondContact O-N 2.94Å
502V98.4Very high97.8Very high4 Ų446.6 Ų46.62%0.02423%0.226CC..Hα-helixtrans-60.7-41.7173.1164.20000111.4L429 A433 M437 L498 K506L429-V502 HydrophobicContact CB-CG1 4.3Å; L429-V502 HydrophobicContact CD2-CB 4.37Å; L429-V502 HydrophobicContact CD2-CG1 3.93Å; A433-V502 HydrophobicContact CB-CB 4.4Å; A433-V502 HydrophobicContact CB-CG1 3.88Å; A433-V502 HydrophobicContact CB-CG2 4.43Å; M437-V502 HydrophobicContact CG-CG2 4.02Å; L498-V502 HydrophobicContact CD1-CG2 3.9Å; L498-V502 HydrophobicContact CG-CG2 4.43Å; L498-V502 WeakPolarHBondContact O-CB 3.26Å; L498-V502 WeakPolarHBondContact O-CG2 3.43Å; L498-V502 PolarHBondContact O-N 3.07Å; V502-K506 WeakPolarHBondContact O-CB 3.41Å; V502-K506 PolarHBondContact O-N 3.4Å
503Q98.1Very high97.9Very high73 Ų7339.2 Ų39.234%0.34120%0.195SC..Hα-helixtrans-68.2-44179.2-178.754.932.500111.8Q499 K500 A501 H505 K506 E507Q499-Q503 VanDerWaalsContact O-CB 3.3Å; Q499-Q503 WeakPolarHBondContact O-CB 3.46Å; Q499-Q503 PolarHBondContact O-N 2.87Å; K500-Q503 PolarHBondContact O-N 2.78Å; A501-Q503 VanDerWaalsContact C-N 3.32Å; A501-Q503 PolarHBondContact O-N 3.41Å; Q503-H505 VanDerWaalsContact C-N 3.33Å; Q503-H505 PolarHBondContact O-N 2.87Å; Q503-K506 WeakPolarHBondContact O-CB 3.11Å; Q503-K506 PolarHBondContact O-N 3.11Å; Q503-K506 VanDerWaalsContact O-N 3.16Å; Q503-E507 PolarHBondContact NE2-OE1 3.46Å; Q503-E507 WeakPolarHBondContact O-CG 3.43Å; Q503-E507 PolarHBondContact O-N 3.09Å
504A98.4Very high97.9Very high13 Ų1337.1 Ų37.111%0.10719%0.185CC..Hα-helixtrans-58.9-44.7174.600000111.5D476 K500 A501 K506 E507 N508D476-A504 HydrophobicContact CB-CB 4.15Å; K500-A504 WeakPolarHBondContact O-CB 3.45Å; K500-A504 PolarHBondContact O-N 3Å; A501-A504 PolarHBondContact O-N 2.83Å; A504-K506 VanDerWaalsContact C-N 3.33Å; A504-K506 PolarHBondContact O-N 3.19Å; A504-E507 PolarHBondContact O-N 2.99Å; A504-N508 PolarHBondContact O-N 3.25Å
505H98.7Very high97.9Very high1 Ų135.4 Ų35.41%0.00518%0.179CC..Hα-helixtrans-62-40.5175.6-174.390.7000112.2A433 M437 E455 S472 A501 Q503 E507 N508 T509A433-H505 HydrophobicContact CB-CB 4.17Å; A433-H505 VanDerWaalsContact CB-CD2 3.45Å; A433-H505 WeakPolarHBondContact CB-CD2 3.38Å; M437-H505 HydrophobicContact CE-CB 4.38Å; E455-H505 IonicContact OE2-CE1 2.69Å; E455-H505 PolarHBondContact OE2-CE1 2.94Å; E455-H505 IonicContact OE2-NE2 3.99Å; E455-H505 PolarHBondContact OE2-NE2 3.18Å; S472-H505 PolarHBondContact OG-CE1 2.89Å; A501-H505 WeakPolarHBondContact O-CB 3.31Å; A501-H505 PolarHBondContact O-N 2.94Å; Q503-H505 VanDerWaalsContact C-N 3.33Å; Q503-H505 PolarHBondContact O-N 2.87Å; H505-E507 VanDerWaalsContact C-N 3.33Å; H505-E507 PolarHBondContact O-N 3.19Å; H505-N508 PolarHBondContact O-N 3.12Å; H505-T509 WeakPolarHBondContact O-CB 3.27Å; H505-T509 PolarHBondContact O-N 2.74Å; H505-T509 PolarHBondContact O-OG1 2.86Å
506K96.9Very high98Very high56 Ų5637.2 Ų37.224%0.24319%0.188CC..Hα-helixtrans-64.6-36.9176.3-150.8-177.883.9-152.90112.3V502 Q503 A504 H510V502-K506 WeakPolarHBondContact O-CB 3.41Å; V502-K506 PolarHBondContact O-N 3.4Å; Q503-K506 WeakPolarHBondContact O-CB 3.11Å; Q503-K506 PolarHBondContact O-N 3.11Å; Q503-K506 VanDerWaalsContact O-N 3.16Å; A504-K506 VanDerWaalsContact C-N 3.33Å; A504-K506 PolarHBondContact O-N 3.19Å; K506-H510 WeakPolarHBondContact O-CB 3.46Å; K506-H510 PolarHBondContact O-N 2.98Å
507E97.4Very high98Very high102 Ų10235.4 Ų35.448%0.47717%0.173SC..Hα-helixtrans-68-42.5174.3-73.9170.2-162.600111.7Q503 A504 H505 T509 H510 N511Q503-E507 PolarHBondContact NE2-OE1 3.46Å; Q503-E507 WeakPolarHBondContact O-CG 3.43Å; Q503-E507 PolarHBondContact O-N 3.09Å; A504-E507 PolarHBondContact O-N 2.99Å; H505-E507 VanDerWaalsContact C-N 3.33Å; H505-E507 PolarHBondContact O-N 3.19Å; E507-T509 VanDerWaalsContact C-N 3.35Å; E507-T509 PolarHBondContact O-N 3.22Å; E507-H510 WeakPolarHBondContact O-CB 3.39Å; E507-H510 PolarHBondContact O-N 3.05Å; E507-N511 WeakPolarHBondContact O-CB 3.36Å; E507-N511 PolarHBondContact O-N 2.84Å; E507-N511 PolarHBondContact O-ND2 3.09Å; E507-N511 VanDerWaalsContact O-ND2 3.17Å
508N97.9Very high98Very high55 Ų5534 Ų3429%0.29417%0.166SC..Hα-helixtrans-62-43173.9-73.7-13.3000111.7I470 A504 H505 H510 N511 A512I470-N508 HydrophobicContact CG2-CB 4.25Å; A504-N508 PolarHBondContact O-N 3.25Å; H505-N508 PolarHBondContact O-N 3.12Å; N508-H510 PolarHBondContact O-N 2.88Å; N508-N511 PolarHBondContact O-N 2.9Å; N508-A512 WeakPolarHBondContact O-CB 3.49Å; N508-A512 PolarHBondContact O-N 3.47Å
509T98.1Very high98Very high9 Ų934.4 Ų34.46%0.05517%0.168CC..Hα-helixtrans-57.4-49.7172.3-590000111.2L21 I470 H505 E507 N511 A512 I513L21-T509 HydrophobicContact CD1-CG2 4.03Å; I470-T509 HydrophobicContact CD1-CG2 3.94Å; H505-T509 WeakPolarHBondContact O-CB 3.27Å; H505-T509 PolarHBondContact O-N 2.74Å; H505-T509 PolarHBondContact O-OG1 2.86Å; E507-T509 VanDerWaalsContact C-N 3.35Å; E507-T509 PolarHBondContact O-N 3.22Å; T509-N511 VanDerWaalsContact C-N 3.32Å; T509-N511 PolarHBondContact O-N 3.13Å; T509-A512 PolarHBondContact O-N 2.91Å; T509-I513 WeakPolarHBondContact O-CG1 3.21Å; T509-I513 PolarHBondContact O-N 2.86Å
510H97.1Very high98Very high66 Ų6631.2 Ų31.231%0.30615%0.153SC..Hα-helixtrans-58.7-44.5177.8174.5-85.2000111.7K506 E507 N508 I513 H514K506-H510 WeakPolarHBondContact O-CB 3.46Å; K506-H510 PolarHBondContact O-N 2.98Å; E507-H510 WeakPolarHBondContact O-CB 3.39Å; E507-H510 PolarHBondContact O-N 3.05Å; N508-H510 PolarHBondContact O-N 2.88Å; H510-I513 WeakPolarHBondContact O-CG1 3.35Å; H510-H514 AromaticContact CD2-CE1 3.53Å; H510-H514 AromaticContact CD2-ND1 3.63Å; H510-H514 AromaticContact CE1-CE1 3.8Å; H510-H514 AromaticContact CE1-ND1 3.57Å; H510-H514 AromaticContact CG-ND1 3.91Å; H510-H514 AromaticContact ND1-ND1 3.88Å; H510-H514 AromaticContact NE2-CE1 3.19Å; H510-H514 PolarHBondContact NE2-CE1 2.75Å; H510-H514 AromaticContact NE2-ND1 3.41Å; H510-H514 PolarHBondContact NE2-ND1 2.85Å; H510-H514 WeakPolarHBondContact O-CB 3.35Å; H510-H514 PolarHBondContact O-N 3.42Å; H510-H514 PolarHBondContact O-ND1 3.46Å
511N97.6Very high98Very high36 Ų3626.3 Ų26.319%0.19313%0.131CC..Hα-helixtrans-63-44.3177.2-71.7-33.5000111.3E507 N508 T509 H514 G515 Q516E507-N511 WeakPolarHBondContact O-CB 3.36Å; E507-N511 PolarHBondContact O-N 2.84Å; E507-N511 PolarHBondContact O-ND2 3.09Å; E507-N511 VanDerWaalsContact O-ND2 3.17Å; N508-N511 PolarHBondContact O-N 2.9Å; T509-N511 VanDerWaalsContact C-N 3.32Å; T509-N511 PolarHBondContact O-N 3.13Å; N511-H514 CarbonylContact O-C 3.49Å; N511-H514 PolarHBondContact O-N 2.87Å; N511-G515 PolarHBondContact O-N 3.04Å; N511-Q516 HydrophobicContact CB-CB 4.19Å; N511-Q516 WeakPolarHBondContact O-CA 3.4Å; N511-Q516 WeakPolarHBondContact O-CB 3.39Å; N511-Q516 PolarHBondContact O-N 3.35Å
512A98.1Very high98Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-62.3-50.3-179.600000112.1A457 L459 E468 I470 N508 T509 H514 G515 A517A457-A512 HydrophobicContact CB-CB 3.51Å; L459-A512 VanDerWaalsContact CD2-O 3.25Å; L459-A512 WeakPolarHBondContact CD2-O 3.26Å; E468-A512 HydrophobicContact CG-CB 4.23Å; I470-A512 HydrophobicContact CG1-CB 3.66Å; N508-A512 WeakPolarHBondContact O-CB 3.49Å; N508-A512 PolarHBondContact O-N 3.47Å; T509-A512 PolarHBondContact O-N 2.91Å; A512-H514 PolarHBondContact O-N 2.94Å; A512-H514 VanDerWaalsContact O-N 3.17Å; A512-G515 PolarHBondContact O-N 3Å; A512-A517 HydrophobicContact CB-CB 3.85Å
513I96.9Very high98Very high7 Ų727.9 Ų27.94%0.03614%0.139CC..Hα-helixtrans-66-20.4179.668.4176000113.2L21 L165 A457 T458 M461 T509 H510 G515L21-I513 HydrophobicContact CD2-CD1 4.26Å; L165-I513 HydrophobicContact CD2-CD1 4.13Å; A457-I513 HydrophobicContact CB-CG2 4.3Å; T458-I513 HydrophobicContact CG2-CG2 4.39Å; M461-I513 HydrophobicContact SD-CB 4.31Å; M461-I513 HydrophobicContact SD-CD1 4.37Å; M461-I513 HydrophobicContact SD-CG1 4.34Å; T509-I513 WeakPolarHBondContact O-CG1 3.21Å; T509-I513 PolarHBondContact O-N 2.86Å; H510-I513 WeakPolarHBondContact O-CG1 3.35Å; I513-G515 VanDerWaalsContact C-N 3.35Å
514H97.5Very high98.1Very high40 Ų4024.4 Ų24.419%0.18512%0.123CC..THydrogen-bonded Turntrans-92.911.6173.1-71.792.1000113.4K168 F462 H510 N511 A512 Q516K168-H514 PolarHBondContact NZ-NE2 2.89Å; F462-H514 WeakPolarHBondContact CZ-O 3.33Å; H510-H514 AromaticContact CD2-CE1 3.53Å; H510-H514 AromaticContact CD2-ND1 3.63Å; H510-H514 AromaticContact CE1-CE1 3.8Å; H510-H514 AromaticContact CE1-ND1 3.57Å; H510-H514 AromaticContact CG-ND1 3.91Å; H510-H514 AromaticContact ND1-ND1 3.88Å; H510-H514 AromaticContact NE2-CE1 3.19Å; H510-H514 PolarHBondContact NE2-CE1 2.75Å; H510-H514 AromaticContact NE2-ND1 3.41Å; H510-H514 PolarHBondContact NE2-ND1 2.85Å; H510-H514 WeakPolarHBondContact O-CB 3.35Å; H510-H514 PolarHBondContact O-N 3.42Å; H510-H514 PolarHBondContact O-ND1 3.46Å; N511-H514 CarbonylContact O-C 3.49Å; N511-H514 PolarHBondContact O-N 2.87Å; A512-H514 PolarHBondContact O-N 2.94Å; A512-H514 VanDerWaalsContact O-N 3.17Å; H514-Q516 VanDerWaalsContact C-N 3.33Å; H514-Q516 HydrophobicContact CB-CG 4.47Å; H514-Q516 PolarHBondContact O-N 3.5Å
515G97.8Very high98.1Very high4 Ų423.8 Ų23.84%0.04112%0.118CC..THydrogen-bonded Turntrans65.834.717700000113P44 N511 A512 I513P44-G515 WeakPolarHBondContact CG-O 3.4Å; N511-G515 PolarHBondContact O-N 3.04Å; A512-G515 PolarHBondContact O-N 3Å; I513-G515 VanDerWaalsContact C-N 3.35Å
516Q98.4Very high98Very high47 Ų4726.7 Ų26.722%0.2213%0.13CC..  trans-117.43.2-179-60.6-57.2-4700113.6Q48 R52 N511 H514Q48-Q516 PolarHBondContact NE2-O 2.91Å; R52-Q516 PolarHBondContact NH1-O 2.79Å; N511-Q516 HydrophobicContact CB-CB 4.19Å; N511-Q516 WeakPolarHBondContact O-CA 3.4Å; N511-Q516 WeakPolarHBondContact O-CB 3.39Å; N511-Q516 PolarHBondContact O-N 3.35Å; H514-Q516 VanDerWaalsContact C-N 3.33Å; H514-Q516 HydrophobicContact CB-CG 4.47Å; H514-Q516 PolarHBondContact O-N 3.5Å
517A98.3Very high98.1Very high12 Ų1225.3 Ų25.310%0.09913%0.125CC..  trans-78178.517000000111E468 A512E468-A517 HydrophobicContact CG-CB 3.5Å; A512-A517 HydrophobicContact CB-CB 3.85Å
518I98.4Very high98.1Very high9 Ų921 Ų215%0.04611%0.106CC..SBendtrans-105.7-30.6-159.362.5177000114T49 R52 Y53 A56 H521 L522T49-I518 HydrophobicContact CG2-CB 3.9Å; T49-I518 HydrophobicContact CG2-CG2 3.95Å; R52-I518 HydrophobicContact CB-CG2 3.57Å; Y53-I518 HydrophobicContact CD2-CD1 4.23Å; A56-I518 HydrophobicContact CB-CD1 4.28Å; I518-H521 PolarHBondContact O-N 2.86Å; I518-L522 HydrophobicContact CB-CD1 4.39Å; I518-L522 WeakPolarHBondContact O-CG 3.42Å; I518-L522 PolarHBondContact O-N 3.47Å
519D98.6Very high98.1Very high7 Ų718.4 Ų18.44%0.0379%0.092CC..Hα-helixtrans-67-48.5-164.6-72.8-106.1000112.9E468 A469 R471 H521 L522 L523E468-D519 WeakPolarHBondContact OE1-CB 3.46Å; A469-D519 HydrophobicContact CB-CB 3.71Å; R471-D519 IonicContact CZ-OD1 2.76Å; R471-D519 IonicContact CZ-OD2 2.83Å; R471-D519 IonicContact NE-OD1 2.7Å; R471-D519 PolarHBondContact NE-OD1 2.72Å; R471-D519 IonicContact NE-OD2 2.66Å; R471-D519 PolarHBondContact NE-OD2 3.16Å; R471-D519 IonicContact NH2-OD1 3.25Å; R471-D519 PolarHBondContact NH2-OD1 2.66Å; R471-D519 IonicContact NH2-OD2 3.1Å; D519-H521 VanDerWaalsContact C-N 3.26Å; D519-H521 PolarHBondContact O-N 3.13Å; D519-L522 PolarHBondContact O-N 2.72Å; D519-L523 WeakPolarHBondContact O-CB 3.22Å; D519-L523 PolarHBondContact O-N 3.44Å
520R98.6Very high98Very high10 Ų1022.5 Ų22.54%0.03811%0.112CC..Hα-helixtrans-67-31.4175.3-59.3-57.7176-84.9-0.5112.2W99 L100 W104 Y454 T467 E468 L523 G524W99-R520 WeakPolarHBondContact CH2-O 3.43Å; L100-R520 HydrophobicContact CD1-CB 4.19Å; L100-R520 HydrophobicContact CD2-CB 3.56Å; L100-R520 HydrophobicContact CD2-CG 3.56Å; W104-R520 VanDerWaalsContact CE3-NE 3.31Å; W104-R520 VanDerWaalsContact CZ2-NH2 3.3Å; W104-R520 VanDerWaalsContact CZ3-CZ 3.41Å; Y454-R520 PolarHBondContact OH-NH2 3.48Å; Y454-R520 VanDerWaalsContact OH-NH2 3.1Å; T467-R520 WeakPolarHBondContact O-CG 3.4Å; T467-R520 PolarHBondContact O-NE 3.34Å; T467-R520 PolarHBondContact O-NH2 2.61Å; T467-R520 PolarHBondContact OG1-NH2 3.16Å; T467-R520 VanDerWaalsContact OG1-NH2 3.11Å; E468-R520 WeakPolarHBondContact OE1-CG 3.45Å; E468-R520 PolarHBondContact OE1-N 3.1Å; E468-R520 IonicContact OE1-NH1 2.73Å; E468-R520 VanDerWaalsContact OE2-CB 3.23Å; E468-R520 WeakPolarHBondContact OE2-CB 3.48Å; E468-R520 WeakPolarHBondContact OE2-CG 3.35Å; E468-R520 PolarHBondContact OE2-N 2.92Å; R520-L523 PolarHBondContact O-N 2.7Å; R520-G524 PolarHBondContact O-N 2.99Å
521H98.8Very high97.9Very high1 Ų124.1 Ų24.11%0.00512%0.12CC..Hα-helixtrans-66.9-47177.2-171.2-159.7000111.8P44 T49 Q86 I518 D519 L523 G524 L525P44-H521 HydrophobicContact CG-CB 4.12Å; P44-H521 PolarHBondContact O-CE1 3.37Å; T49-H521 HydrophobicContact CG2-CB 4.24Å; T49-H521 PolarHBondContact OG1-ND1 3.04Å; Q86-H521 PolarHBondContact OE1-CE1 3.31Å; Q86-H521 PolarHBondContact OE1-NE2 2.93Å; I518-H521 PolarHBondContact O-N 2.86Å; D519-H521 VanDerWaalsContact C-N 3.26Å; D519-H521 PolarHBondContact O-N 3.13Å; H521-L523 VanDerWaalsContact C-N 3.33Å; H521-L523 PolarHBondContact O-N 3.36Å; H521-G524 PolarHBondContact O-N 2.82Å; H521-G524 VanDerWaalsContact O-N 3.13Å; H521-L525 WeakPolarHBondContact O-CG 3.14Å; H521-L525 PolarHBondContact O-N 3.27Å
522L98.8Very high97.8Very high2 Ų225 Ų251%0.0112%0.124CC..Hα-helixtrans-59.4-43173.7-70.4171.7000111.5T49 Y53 I518 D519 G524 L525 K526 F540 Y545T49-L522 HydrophobicContact CG2-CD2 4.02Å; T49-L522 HydrophobicContact CG2-CG 3.98Å; Y53-L522 HydrophobicContact CD2-CD1 3.94Å; Y53-L522 HydrophobicContact CE2-CD1 4.45Å; Y53-L522 HydrophobicContact CG-CD1 4.05Å; I518-L522 HydrophobicContact CB-CD1 4.39Å; I518-L522 WeakPolarHBondContact O-CG 3.42Å; I518-L522 PolarHBondContact O-N 3.47Å; D519-L522 PolarHBondContact O-N 2.72Å; L522-G524 VanDerWaalsContact C-N 3.34Å; L522-G524 PolarHBondContact O-N 3.47Å; L522-L525 PolarHBondContact O-N 2.78Å; L522-K526 WeakPolarHBondContact O-CB 3.42Å; L522-K526 PolarHBondContact O-N 2.62Å; L522-F540 HydrophobicContact CB-CE1 4.36Å; L522-F540 HydrophobicContact CD2-CE1 4.25Å; L522-Y545 HydrophobicContact CB-CE2 4.36Å; L522-Y545 HydrophobicContact CD1-CE2 4.48Å
523L98.5Very high97.6Very high35 Ų3532.6 Ų32.618%0.18316%0.164CC..Hα-helixtrans-58.6-45.8172.817763.7000111.7W104 D519 R520 H521 L525 K526 I527W104-L523 HydrophobicContact CE3-CD2 3.82Å; W104-L523 HydrophobicContact CZ3-CD2 4.07Å; D519-L523 WeakPolarHBondContact O-CB 3.22Å; D519-L523 PolarHBondContact O-N 3.44Å; R520-L523 PolarHBondContact O-N 2.7Å; H521-L523 VanDerWaalsContact C-N 3.33Å; H521-L523 PolarHBondContact O-N 3.36Å; L523-L525 PolarHBondContact O-N 3.03Å; L523-K526 WeakPolarHBondContact O-CB 3.41Å; L523-K526 PolarHBondContact O-N 3.47Å; L523-I527 HydrophobicContact CD1-CD1 3.83Å; L523-I527 HydrophobicContact CD1-CG1 4.12Å; L523-I527 HydrophobicContact CG-CD1 3.89Å; L523-I527 HydrophobicContact CG-CG1 4.48Å; L523-I527 WeakPolarHBondContact O-CG1 3.44Å; L523-I527 PolarHBondContact O-N 3.17Å
524G98.5Very high97.4Very high0 Ų034.6 Ų34.60%018%0.177CC..Hα-helixtrans-57-48.1176.400000112.1R520 H521 L522 K526 I527 Q528R520-G524 PolarHBondContact O-N 2.99Å; H521-G524 PolarHBondContact O-N 2.82Å; H521-G524 VanDerWaalsContact O-N 3.13Å; L522-G524 VanDerWaalsContact C-N 3.34Å; L522-G524 PolarHBondContact O-N 3.47Å; G524-K526 VanDerWaalsContact C-N 3.32Å; G524-K526 PolarHBondContact O-N 3.23Å; G524-I527 PolarHBondContact O-N 3.47Å; G524-Q528 VanDerWaalsContact O-CB 3.32Å; G524-Q528 WeakPolarHBondContact O-CB 3.27Å; G524-Q528 PolarHBondContact O-N 2.97Å
525L98.6Very high97.2Very high0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-62.3-41.7179-68.2168.6000110.9L46 F76 L85 L89 H521 L522 L523 Q528 S529 F540L46-L525 HydrophobicContact CD1-CD1 3.57Å; L46-L525 HydrophobicContact CD1-CD2 4.32Å; F76-L525 HydrophobicContact CE1-CD1 4.27Å; F76-L525 HydrophobicContact CZ-CD1 4.34Å; L85-L525 HydrophobicContact CB-CD2 3.63Å; L89-L525 HydrophobicContact CD1-CD2 3.56Å; L89-L525 HydrophobicContact CD1-CG 3.74Å; L89-L525 HydrophobicContact CG-CD2 4.22Å; H521-L525 WeakPolarHBondContact O-CG 3.14Å; H521-L525 PolarHBondContact O-N 3.27Å; L522-L525 PolarHBondContact O-N 2.78Å; L523-L525 PolarHBondContact O-N 3.03Å; L525-Q528 PolarHBondContact O-N 2.82Å; L525-S529 PolarHBondContact O-N 3.39Å; L525-F540 HydrophobicContact CB-CE2 4.33Å; L525-F540 HydrophobicContact CB-CZ 3.76Å
526K98.4Very high97.2Very high62 Ų6240.1 Ų40.127%0.2721%0.214SC..Hα-helixtrans-60.2-50.2174.7-178.1173-178.9168.50111.8L522 L523 G524 Q528 S529 I530 M536 F540 Y545L522-K526 WeakPolarHBondContact O-CB 3.42Å; L522-K526 PolarHBondContact O-N 2.62Å; L523-K526 WeakPolarHBondContact O-CB 3.41Å; L523-K526 PolarHBondContact O-N 3.47Å; G524-K526 VanDerWaalsContact C-N 3.32Å; G524-K526 PolarHBondContact O-N 3.23Å; K526-Q528 PolarHBondContact O-N 2.77Å; K526-S529 WeakPolarHBondContact O-CB 3.34Å; K526-S529 PolarHBondContact O-N 2.98Å; K526-S529 PolarHBondContact O-OG 3.18Å; K526-I530 PolarHBondContact O-N 3.29Å; K526-M536 HydrophobicContact CG-CE 4.1Å; K526-M536 HydrophobicContact CG-SD 3.9Å; K526-F540 HydrophobicContact CB-CD1 4.24Å; K526-F540 HydrophobicContact CB-CD2 3.93Å; K526-F540 HydrophobicContact CB-CE1 4.16Å; K526-F540 HydrophobicContact CB-CE2 3.85Å; K526-F540 HydrophobicContact CB-CG 4.13Å; K526-F540 HydrophobicContact CB-CZ 3.98Å; K526-F540 HydrophobicContact CD-CB 4.32Å; K526-F540 HydrophobicContact CD-CG 4.29Å; K526-F540 HydrophobicContact CG-CD2 4.15Å; K526-F540 HydrophobicContact CG-CG 4.21Å; K526-Y545 HydrophobicContact CD-CE1 4.45Å
527I97.9Very high97.1Very high27 Ų2738.4 Ų38.414%0.13821%0.207CC..Hα-helixtrans-65.3-39.9179-63.7172.5000111.2W103 L523 G524 S529 I530 E531W103-I527 HydrophobicContact CB-CD1 3.85Å; W103-I527 HydrophobicContact CD2-CB 4.18Å; W103-I527 HydrophobicContact CD2-CD1 4.29Å; W103-I527 HydrophobicContact CD2-CG2 3.62Å; W103-I527 VanDerWaalsContact CE2-CG2 3.42Å; W103-I527 HydrophobicContact CE3-CB 4.2Å; W103-I527 HydrophobicContact CE3-CD1 4.43Å; W103-I527 HydrophobicContact CE3-CG2 4.13Å; W103-I527 HydrophobicContact CG-CD1 4.09Å; W103-I527 HydrophobicContact CG-CG2 3.95Å; W103-I527 HydrophobicContact CH2-CG2 4.26Å; W103-I527 HydrophobicContact CZ2-CG2 3.78Å; W103-I527 HydrophobicContact CZ3-CB 4.36Å; W103-I527 HydrophobicContact CZ3-CG2 4.42Å; L523-I527 HydrophobicContact CD1-CD1 3.83Å; L523-I527 HydrophobicContact CD1-CG1 4.12Å; L523-I527 HydrophobicContact CG-CD1 3.89Å; L523-I527 HydrophobicContact CG-CG1 4.48Å; L523-I527 WeakPolarHBondContact O-CG1 3.44Å; L523-I527 PolarHBondContact O-N 3.17Å; G524-I527 PolarHBondContact O-N 3.47Å; I527-S529 PolarHBondContact O-N 3.48Å; I527-I530 WeakPolarHBondContact O-CB 3.07Å; I527-I530 PolarHBondContact O-N 3.3Å; I527-E531 PolarHBondContact O-N 3.33Å
528Q98Very high97.1Very high13 Ų1343.4 Ų43.46%0.06123%0.228CC..Hα-helixtrans-57.7-38.2174.8-174.365.36200111.6L85 L89 W103 G524 L525 K526 I530 E531 D532L85-Q528 HydrophobicContact CB-CG 4.47Å; L85-Q528 HydrophobicContact CD2-CB 4.19Å; L85-Q528 HydrophobicContact CD2-CG 3.95Å; L89-Q528 HydrophobicContact CD2-CB 3.97Å; L89-Q528 HydrophobicContact CD2-CG 4.44Å; L89-Q528 HydrophobicContact CG-CB 4.42Å; W103-Q528 HydrophobicContact CH2-CB 4.21Å; G524-Q528 VanDerWaalsContact O-CB 3.32Å; G524-Q528 WeakPolarHBondContact O-CB 3.27Å; G524-Q528 PolarHBondContact O-N 2.97Å; L525-Q528 PolarHBondContact O-N 2.82Å; K526-Q528 PolarHBondContact O-N 2.77Å; Q528-I530 VanDerWaalsContact C-N 3.28Å; Q528-I530 PolarHBondContact O-N 2.6Å; Q528-E531 PolarHBondContact O-N 2.79Å; Q528-D532 PolarHBondContact NE2-OD1 3.41Å; Q528-D532 WeakPolarHBondContact O-CB 3.32Å; Q528-D532 VanDerWaalsContact O-CG 3.29Å; Q528-D532 PolarHBondContact O-N 3Å
529S97.2Very high97Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-65.7-32.6177.877.40000113.2L525 K526 I527 T534 P537L525-S529 PolarHBondContact O-N 3.39Å; K526-S529 WeakPolarHBondContact O-CB 3.34Å; K526-S529 PolarHBondContact O-N 2.98Å; K526-S529 PolarHBondContact O-OG 3.18Å; I527-S529 PolarHBondContact O-N 3.48Å; S529-T534 PolarHBondContact O-N 2.88Å; S529-T534 PolarHBondContact O-OG1 3.45Å; S529-P537 WeakPolarHBondContact OG-CD 3.47Å
530I96.5Very high97Very high94 Ų9443.5 Ų43.548%0.48223%0.228SC..Hα-helixtrans-71.1-45.8174.9-60.8169.5000109.9K526 I527 Q528 D532 L533 M536K526-I530 PolarHBondContact O-N 3.29Å; I527-I530 WeakPolarHBondContact O-CB 3.07Å; I527-I530 PolarHBondContact O-N 3.3Å; Q528-I530 VanDerWaalsContact C-N 3.28Å; Q528-I530 PolarHBondContact O-N 2.6Å; I530-D532 VanDerWaalsContact C-N 3.31Å; I530-D532 PolarHBondContact O-N 3.05Å; I530-L533 PolarHBondContact O-N 2.85Å; I530-M536 HydrophobicContact CD1-CE 4.08Å; I530-M536 HydrophobicContact CG1-CE 3.85Å
531E95.4Very high96.9Very high100 Ų10048.8 Ų48.847%0.46726%0.255SS..Hα-helixtrans-64.1-35.1177-74.4-166.2176.600112.7R92 W103 I527 Q528 L533R92-E531 IonicContact NH1-OE1 2.91Å; W103-E531 VanDerWaalsContact CZ2-CD 3.48Å; W103-E531 HydrophobicContact CZ2-CG 4.39Å; W103-E531 WeakPolarHBondContact CZ2-OE1 3.46Å; W103-E531 WeakPolarHBondContact CZ2-OE2 3.26Å; W103-E531 PolarHBondContact NE1-OE1 2.97Å; I527-E531 PolarHBondContact O-N 3.33Å; Q528-E531 PolarHBondContact O-N 2.79Å; E531-L533 PolarHBondContact O-N 2.98Å
532D94.6Very high96.9Very high55 Ų5549.2 Ų49.229%0.29426%0.257SS..THydrogen-bonded Turntrans-69.9-5.8175-74.62.5000112.6Q528 I530 T534Q528-D532 PolarHBondContact NE2-OD1 3.41Å; Q528-D532 WeakPolarHBondContact O-CB 3.32Å; Q528-D532 VanDerWaalsContact O-CG 3.29Å; Q528-D532 PolarHBondContact O-N 3Å; I530-D532 VanDerWaalsContact C-N 3.31Å; I530-D532 PolarHBondContact O-N 3.05Å; D532-T534 HydrophobicContact CB-CG2 4.03Å; D532-T534 PolarHBondContact O-N 2.85Å
533L94.3Very high96.9Very high160 Ų16053 Ų5384%0.83828%0.281SS*.THydrogen-bonded Turntrans55.336.3-175.6-56.4176.5000112.8I530 E531I530-L533 PolarHBondContact O-N 2.85Å; E531-L533 PolarHBondContact O-N 2.98Å
534T91.9Very high96.9Very high49 Ų4951.4 Ų51.430%0.30127%0.272SS..PPolyproline II helixtrans-101164.2179.456.60000111.6S529 D532S529-T534 PolarHBondContact O-N 2.88Å; S529-T534 PolarHBondContact O-OG1 3.45Å; D532-T534 HydrophobicContact CB-CG2 4.03Å; D532-T534 PolarHBondContact O-N 2.85Å
535S94Very high96.9Very high105 Ų10552.1 Ų52.173%0.73428%0.275SS*.PPolyproline II helixtrans-58.5141.2170.7550000110.1P537S535-P537 WeakPolarHBondContact O-CD 3.33Å
536M97.4Very high96.9Very high54 Ų5455.1 Ų55.127%0.26630%0.3SS..PPolyproline II helixtrans-57124.7175.6-175.959.760.400109.2K526 I530 F540 M541K526-M536 HydrophobicContact CG-CE 4.1Å; K526-M536 HydrophobicContact CG-SD 3.9Å; I530-M536 HydrophobicContact CD1-CE 4.08Å; I530-M536 HydrophobicContact CG1-CE 3.85Å; M536-F540 HydrophobicContact CG-CB 4.14Å; M536-F540 HydrophobicContact SD-CB 3.74Å; M536-F540 HydrophobicContact SD-CD2 3.84Å; M536-F540 HydrophobicContact SD-CG 4.22Å; M536-M541 HydrophobicContact CB-CG 4.25Å; M536-M541 HydrophobicContact CB-SD 3.96Å; M536-M541 HydrophobicContact CG-CG 3.69Å; M536-M541 HydrophobicContact CG-SD 4.09Å; M536-M541 VanDerWaalsContact O-CE 3.31Å; M536-M541 WeakPolarHBondContact O-CE 3.32Å
537P97.1Very high96.9Very high11 Ų1154.2 Ų54.27%0.07130%0.299CS..PPolyproline II helixtrans-56.3138.9174.3-26.432.6000111.9F76 V81 L85 S529 S535 I539 F540F76-P537 HydrophobicContact CD2-CB 4.37Å; F76-P537 HydrophobicContact CE2-CB 4Å; F76-P537 HydrophobicContact CE2-CG 4.28Å; V81-P537 HydrophobicContact CG1-CG 3.97Å; L85-P537 HydrophobicContact CD1-CG 3.81Å; S529-P537 WeakPolarHBondContact OG-CD 3.47Å; S535-P537 WeakPolarHBondContact O-CD 3.33Å; P537-I539 HydrophobicContact CB-CG1 4.01Å; P537-I539 PolarHBondContact O-N 2.84Å; P537-F540 HydrophobicContact CB-CD2 3.8Å; P537-F540 HydrophobicContact CB-CE2 4.08Å; P537-F540 HydrophobicContact CG-CD2 3.83Å; P537-F540 HydrophobicContact CG-CE2 3.9Å; P537-F540 PolarHBondContact O-N 3.25Å
538E96.9Very high96.9Very high117 Ų11752.9 Ų52.955%0.54729%0.292SS..G310 helixtrans-58.9-33.3-175.7-65.9-174-163.200113L72 F540 M541 D542L72-E538 HydrophobicContact CD1-CB 4.46Å; L72-E538 HydrophobicContact CD2-CB 4Å; E538-F540 PolarHBondContact O-N 2.94Å; E538-M541 HydrophobicContact CB-CE 4.43Å; E538-M541 HydrophobicContact CG-CE 3.97Å; E538-M541 CarbonylContact O-C 3.52Å; E538-M541 PolarHBondContact O-N 2.8Å; E538-D542 PolarHBondContact O-N 2.82Å
539I97.3Very high96.9Very high8 Ų854.9 Ų54.94%0.04130%0.302CS..G310 helixtrans-55.6-2417463.1154.8000114L72 I73 F76 P537 Y545L72-I539 HydrophobicContact CB-CG2 3.76Å; I73-I539 HydrophobicContact CG1-CG2 4.42Å; F76-I539 HydrophobicContact CB-CG2 4.06Å; F76-I539 HydrophobicContact CD1-CD1 3.73Å; F76-I539 HydrophobicContact CD2-CD1 3.83Å; F76-I539 HydrophobicContact CD2-CG1 4.05Å; F76-I539 HydrophobicContact CE1-CD1 3.5Å; F76-I539 HydrophobicContact CE2-CD1 3.65Å; F76-I539 HydrophobicContact CE2-CG1 4.08Å; F76-I539 HydrophobicContact CG-CD1 3.88Å; F76-I539 HydrophobicContact CG-CG1 4.37Å; F76-I539 HydrophobicContact CG-CG2 4.27Å; F76-I539 HydrophobicContact CZ-CD1 3.47Å; F76-I539 VanDerWaalsContact CZ-CD1 3.47Å; F76-I539 HydrophobicContact CZ-CG1 4.39Å; P537-I539 HydrophobicContact CB-CG1 4.01Å; P537-I539 PolarHBondContact O-N 2.84Å; I539-Y545 WeakPolarHBondContact O-CB 3.04Å
540F98.1Very high96.9Very high11 Ų1158.4 Ų58.45%0.04832%0.318CS..G310 helixtrans-97.2-5.1179.3-59.4-49000113.1L522 L525 K526 M536 P537 E538 Y545L522-F540 HydrophobicContact CB-CE1 4.36Å; L522-F540 HydrophobicContact CD2-CE1 4.25Å; L525-F540 HydrophobicContact CB-CE2 4.33Å; L525-F540 HydrophobicContact CB-CZ 3.76Å; K526-F540 HydrophobicContact CB-CD1 4.24Å; K526-F540 HydrophobicContact CB-CD2 3.93Å; K526-F540 HydrophobicContact CB-CE1 4.16Å; K526-F540 HydrophobicContact CB-CE2 3.85Å; K526-F540 HydrophobicContact CB-CG 4.13Å; K526-F540 HydrophobicContact CB-CZ 3.98Å; K526-F540 HydrophobicContact CD-CB 4.32Å; K526-F540 HydrophobicContact CD-CG 4.29Å; K526-F540 HydrophobicContact CG-CD2 4.15Å; K526-F540 HydrophobicContact CG-CG 4.21Å; M536-F540 HydrophobicContact CG-CB 4.14Å; M536-F540 HydrophobicContact SD-CB 3.74Å; M536-F540 HydrophobicContact SD-CD2 3.84Å; M536-F540 HydrophobicContact SD-CG 4.22Å; P537-F540 HydrophobicContact CB-CD2 3.8Å; P537-F540 HydrophobicContact CB-CE2 4.08Å; P537-F540 HydrophobicContact CG-CD2 3.83Å; P537-F540 HydrophobicContact CG-CE2 3.9Å; P537-F540 PolarHBondContact O-N 3.25Å; E538-F540 PolarHBondContact O-N 2.94Å; F540-Y545 HydrophobicContact CB-CE1 4.47Å; F540-Y545 AromaticContact CD1-CD2 3.92Å; F540-Y545 HydrophobicContact CD1-CD2 3.92Å; F540-Y545 HydrophobicContact CD1-CE1 4.18Å; F540-Y545 AromaticContact CD1-CE2 3.47Å; F540-Y545 HydrophobicContact CD1-CE2 3.47Å; F540-Y545 VanDerWaalsContact CD1-CE2 3.47Å; F540-Y545 HydrophobicContact CD1-CG 4.44Å; F540-Y545 AromaticContact CD1-CZ 3.63Å; F540-Y545 AromaticContact CE1-CE2 3.9Å; F540-Y545 HydrophobicContact CE1-CE2 3.9Å
541M97.9Very high97Very high120 Ų12054.9 Ų54.959%0.59130%0.299SS*.THydrogen-bonded Turntrans-106.6-10.3173.5-58.5-172.9-65.800111.9M536 E538M536-M541 HydrophobicContact CB-CG 4.25Å; M536-M541 HydrophobicContact CB-SD 3.96Å; M536-M541 HydrophobicContact CG-CG 3.69Å; M536-M541 HydrophobicContact CG-SD 4.09Å; M536-M541 VanDerWaalsContact O-CE 3.31Å; M536-M541 WeakPolarHBondContact O-CE 3.32Å; E538-M541 HydrophobicContact CB-CE 4.43Å; E538-M541 HydrophobicContact CG-CE 3.97Å; E538-M541 CarbonylContact O-C 3.52Å; E538-M541 PolarHBondContact O-N 2.8Å
542D98.4Very high97.2Very high11 Ų1151 Ų516%0.05928%0.282CS..SBendtrans-61.8144.8177.9-172.822.9000112.7H68 T69 L72 E538 S544 Y545 A546H68-D542 IonicContact CE1-OD1 3.55Å; H68-D542 IonicContact ND1-OD1 3.15Å; H68-D542 PolarHBondContact ND1-OD1 3.07Å; H68-D542 VanDerWaalsContact ND1-OD1 3.15Å; T69-D542 PolarHBondContact OG1-OD2 3.33Å; L72-D542 HydrophobicContact CD1-CB 3.79Å; E538-D542 PolarHBondContact O-N 2.82Å; D542-S544 VanDerWaalsContact C-N 3.26Å; D542-S544 PolarHBondContact O-N 2.92Å; D542-Y545 WeakPolarHBondContact O-CB 3.28Å; D542-Y545 PolarHBondContact O-N 3.14Å; D542-A546 PolarHBondContact O-N 3.37Å
543T98.4Very high97.4Very high82 Ų8248.4 Ų48.450%0.50327%0.268SS..Hα-helixtrans-58-42.3178.2-58.90000110.6E65 Y545 A546 V547E65-T543 WeakPolarHBondContact OE1-CG2 3.24Å; T543-Y545 PolarHBondContact O-N 3.5Å; T543-A546 WeakPolarHBondContact O-CB 3.41Å; T543-A546 PolarHBondContact O-N 3.2Å; T543-V547 HydrophobicContact CG2-CG2 4.35Å; T543-V547 WeakPolarHBondContact O-CG2 3.45Å; T543-V547 PolarHBondContact O-N 3.12Å
544S98.6Very high97.6Very high0 Ų042.6 Ų42.60%024%0.235CC..Hα-helixtrans-63.7-28.3178.3-60.70000112.9Y53 L57 T69 D542 A548Y53-S544 VanDerWaalsContact OH-C 3.32Å; Y53-S544 PolarHBondContact OH-O 3.28Å; L57-S544 WeakPolarHBondContact CD2-O 3.19Å; T69-S544 WeakPolarHBondContact OG1-CB 3.22Å; T69-S544 PolarHBondContact OG1-OG 3.26Å; D542-S544 VanDerWaalsContact C-N 3.26Å; D542-S544 PolarHBondContact O-N 2.92Å; S544-A548 WeakPolarHBondContact O-CB 3.48Å; S544-A548 PolarHBondContact O-N 3.04Å
545Y98.6Very high97.9Very high16 Ų1640.2 Ų40.26%0.06322%0.22CC..Hα-helixtrans-72.1-39.7172.7-171.3-93.1000112Y53 L522 K526 I539 F540 D542 T543 H549Y53-Y545 WeakPolarHBondContact OH-CA 3.45Å; Y53-Y545 WeakPolarHBondContact OH-CB 3.32Å; Y53-Y545 PolarHBondContact OH-N 3.25Å; Y53-Y545 VanDerWaalsContact OH-N 3.14Å; L522-Y545 HydrophobicContact CB-CE2 4.36Å; L522-Y545 HydrophobicContact CD1-CE2 4.48Å; K526-Y545 HydrophobicContact CD-CE1 4.45Å; I539-Y545 WeakPolarHBondContact O-CB 3.04Å; F540-Y545 HydrophobicContact CB-CE1 4.47Å; F540-Y545 AromaticContact CD1-CD2 3.92Å; F540-Y545 HydrophobicContact CD1-CD2 3.92Å; F540-Y545 HydrophobicContact CD1-CE1 4.18Å; F540-Y545 AromaticContact CD1-CE2 3.47Å; F540-Y545 HydrophobicContact CD1-CE2 3.47Å; F540-Y545 VanDerWaalsContact CD1-CE2 3.47Å; F540-Y545 HydrophobicContact CD1-CG 4.44Å; F540-Y545 AromaticContact CD1-CZ 3.63Å; F540-Y545 AromaticContact CE1-CE2 3.9Å; F540-Y545 HydrophobicContact CE1-CE2 3.9Å; D542-Y545 WeakPolarHBondContact O-CB 3.28Å; D542-Y545 PolarHBondContact O-N 3.14Å; T543-Y545 PolarHBondContact O-N 3.5Å; Y545-H549 AromaticContact CD1-ND1 3.91Å; Y545-H549 AromaticContact CD2-CE1 3.53Å; Y545-H549 AromaticContact CD2-ND1 3.83Å; Y545-H549 AromaticContact CE1-CE1 3.87Å; Y545-H549 AromaticContact CE1-ND1 3.76Å; Y545-H549 AromaticContact CE2-CE1 3.06Å; Y545-H549 WeakPolarHBondContact CE2-CE1 3.49Å; Y545-H549 AromaticContact CE2-ND1 3.68Å; Y545-H549 AromaticContact CE2-NE2 3.78Å; Y545-H549 AromaticContact CG-ND1 3.94Å; Y545-H549 AromaticContact CZ-CE1 3.25Å; Y545-H549 AromaticContact CZ-ND1 3.64Å; Y545-H549 AromaticContact CZ-NE2 3.66Å; Y545-H549 PolarHBondContact O-N 2.98Å; Y545-H549 PolarHBondContact O-ND1 2.83Å
546A98.3Very high98.1Very high63 Ų6336.2 Ų36.252%0.52119%0.192SC..Hα-helixtrans-61.7-50.4173.400000111.1D542 T543 A548 H549 H550D542-A546 PolarHBondContact O-N 3.37Å; T543-A546 WeakPolarHBondContact O-CB 3.41Å; T543-A546 PolarHBondContact O-N 3.2Å; A546-A548 PolarHBondContact O-N 2.62Å; A546-H549 PolarHBondContact O-N 3.45Å; A546-H550 WeakPolarHBondContact O-CB 3.43Å; A546-H550 PolarHBondContact O-N 2.7Å; A546-H550 VanDerWaalsContact O-N 3.13Å
547V98.1Very high98.1Very high42 Ų4237.2 Ų37.226%0.25520%0.196SC..Hα-helixtrans-57.4-50.6176.3174.60000110.5V61 P452 T543 H549 H550V61-V547 HydrophobicContact CG1-CB 4.26Å; V61-V547 HydrophobicContact CG1-CG1 4.03Å; P452-V547 HydrophobicContact CG-CG1 4.07Å; P452-V547 WeakPolarHBondContact CG-O 3.49Å; T543-V547 HydrophobicContact CG2-CG2 4.35Å; T543-V547 WeakPolarHBondContact O-CG2 3.45Å; T543-V547 PolarHBondContact O-N 3.12Å; V547-H549 PolarHBondContact O-N 2.83Å; V547-H550 WeakPolarHBondContact O-CB 3.41Å; V547-H550 PolarHBondContact O-N 2.82Å
548A97.9Very high97.8Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-60.4-23.1-177.900000114.9Y53 L57 I60 R471 S544 A546 F551Y53-A548 HydrophobicContact CE2-CB 3.88Å; L57-A548 HydrophobicContact CD2-CB 3.77Å; I60-A548 HydrophobicContact CD1-CB 4.47Å; R471-A548 VanDerWaalsContact CZ-O 3.3Å; R471-A548 PolarHBondContact NH1-O 2.76Å; R471-A548 PolarHBondContact NH2-O 3.29Å; S544-A548 WeakPolarHBondContact O-CB 3.48Å; S544-A548 PolarHBondContact O-N 3.04Å; A546-A548 PolarHBondContact O-N 2.62Å; A548-F551 WeakPolarHBondContact O-CE1 3.37Å
549H97.4Very high97.4Very high55 Ų5533.8 Ų33.826%0.25519%0.193SC..Hα-helixtrans-1031.6178.3-65.977.6000112.9Y545 A546 V547 F551Y545-H549 AromaticContact CD1-ND1 3.91Å; Y545-H549 AromaticContact CD2-CE1 3.53Å; Y545-H549 AromaticContact CD2-ND1 3.83Å; Y545-H549 AromaticContact CE1-CE1 3.87Å; Y545-H549 AromaticContact CE1-ND1 3.76Å; Y545-H549 AromaticContact CE2-CE1 3.06Å; Y545-H549 WeakPolarHBondContact CE2-CE1 3.49Å; Y545-H549 AromaticContact CE2-ND1 3.68Å; Y545-H549 AromaticContact CE2-NE2 3.78Å; Y545-H549 AromaticContact CG-ND1 3.94Å; Y545-H549 AromaticContact CZ-CE1 3.25Å; Y545-H549 AromaticContact CZ-ND1 3.64Å; Y545-H549 AromaticContact CZ-NE2 3.66Å; Y545-H549 PolarHBondContact O-N 2.98Å; Y545-H549 PolarHBondContact O-ND1 2.83Å; A546-H549 PolarHBondContact O-N 3.45Å; V547-H549 PolarHBondContact O-N 2.83Å; H549-F551 PolarHBondContact O-N 3.43Å
550H98.3Very high97.2Very high74 Ų7433.9 Ų33.934%0.34320%0.195SC..  trans-88.374.2174-160.2-28.3000110P452 A546 V547 N552 V572 D574P452-H550 WeakPolarHBondContact CB-O 3.37Å; P452-H550 WeakPolarHBondContact CG-O 3.28Å; A546-H550 WeakPolarHBondContact O-CB 3.43Å; A546-H550 PolarHBondContact O-N 2.7Å; A546-H550 VanDerWaalsContact O-N 3.13Å; V547-H550 WeakPolarHBondContact O-CB 3.41Å; V547-H550 PolarHBondContact O-N 2.82Å; H550-N552 PolarHBondContact O-N 3.13Å; H550-N552 PolarHBondContact O-OD1 3.27Å; H550-V572 VanDerWaalsContact CE1-CB 3.43Å; H550-V572 WeakPolarHBondContact CE1-CB 3.27Å; H550-V572 WeakPolarHBondContact ND1-CG1 3.42Å; H550-D574 IonicContact CE1-OD1 2.88Å; H550-D574 PolarHBondContact CE1-OD1 2.98Å; H550-D574 IonicContact CE1-OD2 2.7Å; H550-D574 IonicContact ND1-OD1 2.89Å; H550-D574 IonicContact NE2-OD1 2.77Å
551F98.4Very high97Very high19 Ų1941.3 Ų41.38%0.08323%0.227CC..  trans-72.688.1-172.8-59-66.4000113.1P452 Y454 A548 H549 L553 V572P452-F551 HydrophobicContact CB-CD1 4.23Å; P452-F551 CarbonylContact O-C 3.54Å; P452-F551 WeakPolarHBondContact O-CA 3.41Å; Y454-F551 HydrophobicContact CD2-CD2 4.42Å; Y454-F551 HydrophobicContact CD2-CE1 4.4Å; Y454-F551 HydrophobicContact CD2-CE2 4.05Å; Y454-F551 HydrophobicContact CD2-CZ 4.04Å; A548-F551 WeakPolarHBondContact O-CE1 3.37Å; H549-F551 PolarHBondContact O-N 3.43Å; F551-L553 PolarHBondContact O-N 3Å; F551-V572 WeakPolarHBondContact O-CG2 3.43Å
552N98.7Very high96.9Very high19 Ų1936.2 Ų36.210%0.10220%0.203CC..SBendtrans-61.9-26.4173.5-58.794.3000112.1C451 P452 H550 D574 G575 Y576C451-N552 HydrophobicContact CB-CB 3.82Å; P452-N552 PolarHBondContact O-N 2.86Å; H550-N552 PolarHBondContact O-N 3.13Å; H550-N552 PolarHBondContact O-OD1 3.27Å; N552-D574 PolarHBondContact ND2-O 2.79Å; N552-D574 VanDerWaalsContact ND2-O 3.08Å; N552-D574 PolarHBondContact ND2-OD2 2.81Å; N552-G575 CarbonylContact O-C 3.43Å; N552-G575 WeakPolarHBondContact O-CA 3.4Å; N552-Y576 PolarHBondContact O-N 3.13Å
553L98.8Very high96.8Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-116.4107.3167.5-71-176.6000110Y443 P452 T453 Y454 F551 T555 Y576 F605Y443-L553 HydrophobicContact CD2-CD1 3.79Å; Y443-L553 HydrophobicContact CD2-CD2 3.84Å; Y443-L553 HydrophobicContact CD2-CG 3.79Å; Y443-L553 HydrophobicContact CE2-CD2 4.25Å; Y443-L553 HydrophobicContact CE2-CG 4.16Å; Y443-L553 HydrophobicContact CG-CD1 4Å; Y443-L553 HydrophobicContact CG-CG 4.45Å; P452-L553 PolarHBondContact O-N 3.47Å; T453-L553 CarbonylContact C-O 3.47Å; T453-L553 WeakPolarHBondContact CA-O 3.11Å; T453-L553 HydrophobicContact CG2-CB 3.74Å; T453-L553 HydrophobicContact CG2-CD1 4.45Å; Y454-L553 PolarHBondContact N-O 3.22Å; F551-L553 PolarHBondContact O-N 3Å; L553-T555 HydrophobicContact CB-CG2 4.31Å; L553-Y576 HydrophobicContact CD2-CD2 3.9Å; L553-Y576 HydrophobicContact CD2-CG 4.19Å; L553-F605 HydrophobicContact CD1-CZ 4.31Å; L553-F605 HydrophobicContact CD2-CE1 3.84Å; L553-F605 HydrophobicContact CD2-CZ 3.74Å
554Y98.6Very high96.7Very high38 Ų3835.4 Ų35.415%0.14920%0.195CC..EExtended strand (participates in β ladder)trans-102.9111.3173.1-178.2-114.4000109.7Y454 F568 M571 Y576 G577 V578Y454-Y554 AromaticContact CD1-CD2 3.33Å; Y454-Y554 HydrophobicContact CD1-CD2 3.33Å; Y454-Y554 AromaticContact CD1-CE2 3.19Å; Y454-Y554 HydrophobicContact CD1-CE2 3.19Å; Y454-Y554 HydrophobicContact CD1-CG 4.47Å; Y454-Y554 HydrophobicContact CD2-CE2 4.41Å; Y454-Y554 AromaticContact CE1-CD2 3.99Å; Y454-Y554 HydrophobicContact CE1-CD2 3.99Å; Y454-Y554 AromaticContact CE1-CE2 3.32Å; Y454-Y554 HydrophobicContact CE1-CE2 3.32Å; Y454-Y554 HydrophobicContact CE2-CE2 4.5Å; Y454-Y554 AromaticContact CG-CD2 3.7Å; Y454-Y554 HydrophobicContact CG-CD2 3.7Å; Y454-Y554 AromaticContact CG-CE2 3.81Å; Y454-Y554 HydrophobicContact CG-CE2 3.81Å; Y554-F568 AromaticContact CD1-CD2 3.67Å; Y554-F568 HydrophobicContact CD1-CD2 3.67Å; Y554-F568 AromaticContact CD1-CE2 3.33Å; Y554-F568 HydrophobicContact CD1-CE2 3.33Å; Y554-F568 HydrophobicContact CD1-CZ 4.15Å; Y554-F568 AromaticContact CE1-CD2 3.8Å; Y554-F568 HydrophobicContact CE1-CD2 3.8Å; Y554-F568 AromaticContact CE1-CE2 3.64Å; Y554-F568 HydrophobicContact CE1-CE2 3.64Å; Y554-F568 HydrophobicContact CE1-CG 4.45Å; Y554-F568 HydrophobicContact CE1-CZ 4.14Å; Y554-F568 HydrophobicContact CG-CE2 4.38Å; Y554-F568 WeakPolarHBondContact O-CE2 3.18Å; Y554-M571 HydrophobicContact CD1-CG 3.62Å; Y554-M571 HydrophobicContact CD2-CG 3.47Å; Y554-M571 VanDerWaalsContact CD2-CG 3.47Å; Y554-M571 HydrophobicContact CE1-CG 4.03Å; Y554-M571 HydrophobicContact CE1-SD 4.47Å; Y554-M571 HydrophobicContact CE2-CG 3.88Å; Y554-M571 HydrophobicContact CE2-SD 4.44Å; Y554-M571 HydrophobicContact CG-CB 4.24Å; Y554-M571 HydrophobicContact CG-CG 3.34Å; Y554-Y576 PolarHBondContact N-O 3.04Å; Y554-G577 WeakPolarHBondContact O-CA 3.47Å; Y554-V578 PolarHBondContact O-N 3.19Å
555T98.8Very high96.6Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-123.7153.1-168.6800000113.9Q436 L439 T453 Y454 E455 S456 L553 V578Q436-T555 PolarHBondContact NE2-OG1 3.21Å; L439-T555 HydrophobicContact CD1-CG2 3.99Å; T453-T555 HydrophobicContact CG2-CG2 4.2Å; Y454-T555 WeakPolarHBondContact O-CA 3.26Å; Y454-T555 WeakPolarHBondContact O-CB 3.36Å; Y454-T555 PolarHBondContact O-N 2.97Å; Y454-T555 PolarHBondContact O-OG1 2.79Å; E455-T555 WeakPolarHBondContact CA-O 3.44Å; E455-T555 WeakPolarHBondContact CA-OG1 3.43Å; E455-T555 WeakPolarHBondContact CB-OG1 3.36Å; S456-T555 PolarHBondContact N-O 3.32Å; L553-T555 HydrophobicContact CB-CG2 4.31Å; T555-V578 CarbonylContact C-O 3.48Å; T555-V578 WeakPolarHBondContact CA-O 3.42Å; T555-V578 HydrophobicContact CG2-CB 4.11Å
556S98.1Very high96.6Very high20 Ų2035.1 Ų35.114%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-150.8131.2170.1-171.10000111.3V578 C579 Y580S556-V578 PolarHBondContact N-O 2.82Å; S556-C579 WeakPolarHBondContact O-CA 3.16Å; S556-C579 PolarHBondContact O-SG 3.17Å; S556-C579 VanDerWaalsContact O-SG 3.39Å; S556-Y580 PolarHBondContact O-N 2.93Å; S556-Y580 VanDerWaalsContact O-N 3.16Å
557Q96.9Very high96.5Very high76 Ų7632.2 Ų32.236%0.35517%0.171SC..EExtended strand (participates in β ladder)trans-77.6133.2161.1-171.2-174.328.300110D432 Y580 P582D432-Q557 WeakPolarHBondContact OD1-CB 3.28Å; D432-Q557 VanDerWaalsContact OD1-CD 3.26Å; D432-Q557 PolarHBondContact OD1-OE1 3.31Å; Q557-Y580 HydrophobicContact CB-CD2 4.31Å; Q557-Y580 HydrophobicContact CB-CE2 3.6Å; Q557-Y580 HydrophobicContact CG-CD2 4.07Å; Q557-Y580 HydrophobicContact CG-CE2 3.58Å; Q557-P582 HydrophobicContact CG-CG 4.46Å
558V91.1Very high96.5Very high5 Ų531 Ų313%0.0316%0.162CC..  trans-132.386.9171.4-173.50000109.1V354 S560 M566 C579 Y580 N581V354-V558 HydrophobicContact CB-CG1 4.24Å; V354-V558 HydrophobicContact CG1-CG1 3.29Å; V354-V558 HydrophobicContact CG2-CG1 3.98Å; V558-S560 PolarHBondContact O-N 3.29Å; V558-M566 HydrophobicContact CG1-CE 3.97Å; V558-M566 HydrophobicContact CG1-SD 4.28Å; V558-M566 HydrophobicContact CG2-CB 4.41Å; V558-M566 HydrophobicContact CG2-SD 3.76Å; V558-C579 VanDerWaalsContact CG2-SG 3.55Å; V558-Y580 PolarHBondContact N-O 3.14Å; V558-N581 WeakPolarHBondContact O-CB 3.32Å; V558-N581 PolarHBondContact O-OD1 2.88Å
559G89.4Confident96.4Very high51 Ų5131.2 Ų31.253%0.52616%0.164SC..  trans-73.6118.7177.500000112.1
560S92.8Very high96.5Very high10 Ų1028.8 Ų28.87%0.0715%0.154CC..  trans-125153.3176.8-161.30000110D358 V558 T562 C564 N581D358-S560 PolarHBondContact OD1-OG 2.94Å; V558-S560 PolarHBondContact O-N 3.29Å; S560-T562 WeakPolarHBondContact CB-O 3.38Å; S560-C564 VanDerWaalsContact CB-SG 3.59Å; S560-N581 PolarHBondContact N-OD1 3.04Å; S560-N581 VanDerWaalsContact N-OD1 3.09Å
561K94.4Very high96.4Very high167 Ų16730.3 Ų30.373%0.72616%0.162SC*.SBendtrans-77.4-30.6167.1-63.9178.2-178.2176.60111.6D358D358-K561 PolarHBondContact OD1-N 3.12Å; D358-K561 VanDerWaalsContact OD1-N 3.13Å; D358-K561 WeakPolarHBondContact OD2-CB 3.26Å; D358-K561 PolarHBondContact OD2-N 2.88Å
562T95.8Very high96.3Very high13 Ų1330.3 Ų30.38%0.0816%0.164CC..SBendtrans-71.3134.8172.2-53.80000109.5L126 I357 D358 V361 S560 C564 N581L126-T562 HydrophobicContact CD2-CG2 4Å; I357-T562 HydrophobicContact CG2-CG2 4.18Å; D358-T562 VanDerWaalsContact OD1-CB 3.29Å; D358-T562 WeakPolarHBondContact OD1-CB 3.26Å; D358-T562 PolarHBondContact OD1-N 3.32Å; D358-T562 PolarHBondContact OD1-OG1 3.02Å; V361-T562 HydrophobicContact CG1-CG2 4.37Å; V361-T562 HydrophobicContact CG2-CG2 4Å; S560-T562 WeakPolarHBondContact CB-O 3.38Å; T562-C564 HydrophobicContact CG2-CB 4.29Å; T562-C564 PolarHBondContact O-N 3.49Å; T562-C564 PolarHBondContact O-SG 3.3Å; T562-N581 PolarHBondContact O-ND2 3.36Å
563D96.1Very high96.3Very high70 Ų7033.6 Ų33.637%0.37419%0.186SC..SBendtrans-72.472176.6-169.920.3000111.2P127 M583 H586 N588P127-D563 VanDerWaalsContact CD-O 3.24Å; P127-D563 WeakPolarHBondContact CD-O 3.42Å; P127-D563 HydrophobicContact CG-CB 4.28Å; P127-D563 WeakPolarHBondContact CG-O 3.49Å; D563-M583 HydrophobicContact CB-CE 4.19Å; D563-H586 IonicContact OD1-CD2 3.48Å; D563-H586 IonicContact OD1-CE1 2.6Å; D563-H586 IonicContact OD1-NE2 2.77Å; D563-H586 PolarHBondContact OD1-NE2 3.46Å; D563-H586 IonicContact OD2-CE1 2.82Å; D563-H586 IonicContact OD2-NE2 2.99Å; D563-H586 PolarHBondContact OD2-NE2 3.02Å; D563-N588 PolarHBondContact OD1-ND2 3.4Å
564C96Very high96.3Very high5 Ų536.5 Ų36.53%0.03420%0.201CC..  trans-120.2168.5-176.268.40000111.2V124 A125 L126 S560 T562 N581 N588V124-C564 HydrophobicContact CG1-CB 4.2Å; A125-C564 WeakPolarHBondContact O-CA 3.39Å; A125-C564 VanDerWaalsContact O-CB 3.26Å; A125-C564 WeakPolarHBondContact O-CB 3.5Å; L126-C564 HydrophobicContact CD2-CB 3.79Å; S560-C564 VanDerWaalsContact CB-SG 3.59Å; T562-C564 HydrophobicContact CG2-CB 4.29Å; T562-C564 PolarHBondContact O-N 3.49Å; T562-C564 PolarHBondContact O-SG 3.3Å; C564-N581 WeakPolarHBondContact O-CB 3.27Å; C564-N581 PolarHBondContact O-ND2 3.31Å; C564-N588 PolarHBondContact O-ND2 2.88Å
565V96.2Very high96.3Very high3 Ų334.7 Ų34.72%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-136.9134.1171.6690000110V124 A125 V413 N588 A590V124-V565 CarbonylContact C-O 3.58Å; V124-V565 WeakPolarHBondContact CA-O 3.33Å; A125-V565 HydrophobicContact CB-CG1 3.92Å; A125-V565 PolarHBondContact N-O 2.96Å; A125-V565 PolarHBondContact O-N 3.18Å; V413-V565 HydrophobicContact CG1-CG1 4.07Å; V413-V565 HydrophobicContact CG2-CG1 4.32Å; V565-N588 HydrophobicContact CB-CB 3.88Å; V565-N588 HydrophobicContact CG2-CB 3.99Å; V565-A590 HydrophobicContact CG2-CB 3.72Å
566M97.6Very high96.3Very high7 Ų734.8 Ų34.83%0.03420%0.195CC..EExtended strand (participates in β ladder)trans-96.1149.6175.4-177.8174-68.700109T122 G123 V124 Y343 V354 V558 C579 A590T122-M566 HydrophobicContact CG2-CE 4.46Å; T122-M566 HydrophobicContact CG2-CG 3.13Å; T122-M566 HydrophobicContact CG2-SD 3.38Å; T122-M566 WeakPolarHBondContact CG2-SD 3.32Å; G123-M566 CarbonylContact O-C 3.59Å; G123-M566 VanDerWaalsContact O-CA 3.27Å; G123-M566 WeakPolarHBondContact O-CA 3.43Å; G123-M566 WeakPolarHBondContact O-CG 3.45Å; V124-M566 HydrophobicContact CG2-CB 4.21Å; V124-M566 HydrophobicContact CG2-CE 3.5Å; V124-M566 HydrophobicContact CG2-CG 4.02Å; Y343-M566 HydrophobicContact CE1-CE 3.77Å; Y343-M566 HydrophobicContact CE1-SD 4.08Å; V354-M566 HydrophobicContact CG1-CE 4.09Å; V558-M566 HydrophobicContact CG1-CE 3.97Å; V558-M566 HydrophobicContact CG1-SD 4.28Å; V558-M566 HydrophobicContact CG2-CB 4.41Å; V558-M566 HydrophobicContact CG2-SD 3.76Å; M566-C579 WeakPolarHBondContact O-CB 3.29Å; M566-A590 VanDerWaalsContact O-CB 3.31Å; M566-A590 WeakPolarHBondContact O-CB 3.27Å
567C96.4Very high96.3Very high2 Ų233.9 Ų33.91%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-145.2145.2-18064.90000111.7T122 G123 A307 A590T122-C567 WeakPolarHBondContact CG2-O 3.45Å; G123-C567 PolarHBondContact N-O 3.45Å; G123-C567 PolarHBondContact O-N 3.43Å; A307-C567 HydrophobicContact CB-CB 4.37Å; A307-C567 PolarHBondContact O-SG 3.3Å; C567-A590 HydrophobicContact CB-CB 3.8Å
568F97.8Very high96.4Very high16 Ų1630.3 Ų30.37%0.0717%0.172CC..  trans-147.6157.6176.943.8-104.4000108.8T122 Y554 C579 T592T122-F568 HydrophobicContact CG2-CB 4.42Å; T122-F568 HydrophobicContact CG2-CD1 4.07Å; Y554-F568 AromaticContact CD1-CD2 3.67Å; Y554-F568 HydrophobicContact CD1-CD2 3.67Å; Y554-F568 AromaticContact CD1-CE2 3.33Å; Y554-F568 HydrophobicContact CD1-CE2 3.33Å; Y554-F568 HydrophobicContact CD1-CZ 4.15Å; Y554-F568 AromaticContact CE1-CD2 3.8Å; Y554-F568 HydrophobicContact CE1-CD2 3.8Å; Y554-F568 AromaticContact CE1-CE2 3.64Å; Y554-F568 HydrophobicContact CE1-CE2 3.64Å; Y554-F568 HydrophobicContact CE1-CG 4.45Å; Y554-F568 HydrophobicContact CE1-CZ 4.14Å; Y554-F568 HydrophobicContact CG-CE2 4.38Å; Y554-F568 WeakPolarHBondContact O-CE2 3.18Å; F568-C579 HydrophobicContact CD1-CB 4.29Å; F568-C579 HydrophobicContact CE1-CB 3.54Å; F568-C579 HydrophobicContact CZ-CB 3.82Å; F568-T592 WeakPolarHBondContact O-CB 3.49Å; F568-T592 VanDerWaalsContact O-CG2 3.26Å; F568-T592 WeakPolarHBondContact O-CG2 3.34Å; F568-T592 PolarHBondContact O-OG1 3.37Å
569G97.6Very high96.8Very high5 Ų530.1 Ų30.15%0.05217%0.171CC..  trans-70.3163.2175.500000112.8V118V118-G569 WeakPolarHBondContact O-CA 3.23Å; V118-G569 PolarHBondContact O-N 3.13Å
570P98.3Very high97.2Very high4 Ų427.8 Ų27.83%0.02615%0.146CC..  trans-59.4151.1170.6-19.631.1000112.3V572 G575 T592 F594P570-V572 VanDerWaalsContact C-N 3.31Å; P570-V572 WeakPolarHBondContact CB-O 3.48Å; P570-G575 WeakPolarHBondContact CB-O 3.36Å; P570-G575 WeakPolarHBondContact CG-O 3.17Å; P570-T592 WeakPolarHBondContact CD-OG1 3.29Å; P570-F594 HydrophobicContact CB-CD2 4.05Å; P570-F594 HydrophobicContact CB-CE2 3.71Å; P570-F594 HydrophobicContact CG-CD2 3.83Å; P570-F594 HydrophobicContact CG-CE2 3.72Å; P570-F594 HydrophobicContact CG-CG 4.5Å; P570-F594 HydrophobicContact CG-CZ 4.28Å
571M95.7Very high97.5Very high107 Ų10727.4 Ų27.453%0.52714%0.144SC..SBendtrans-75.2-22.8174.9-82-68-60.700113.1Y554Y554-M571 HydrophobicContact CD1-CG 3.62Å; Y554-M571 HydrophobicContact CD2-CG 3.47Å; Y554-M571 VanDerWaalsContact CD2-CG 3.47Å; Y554-M571 HydrophobicContact CE1-CG 4.03Å; Y554-M571 HydrophobicContact CE1-SD 4.47Å; Y554-M571 HydrophobicContact CE2-CG 3.88Å; Y554-M571 HydrophobicContact CE2-SD 4.44Å; Y554-M571 HydrophobicContact CG-CB 4.24Å; Y554-M571 HydrophobicContact CG-CG 3.34Å
572V98Very high97.6Very high19 Ų1919.7 Ų19.712%0.11511%0.111CC..SBendtrans-137.2153-174.4-58.90000110.4H550 F551 P570 D574 G575H550-V572 VanDerWaalsContact CE1-CB 3.43Å; H550-V572 WeakPolarHBondContact CE1-CB 3.27Å; H550-V572 WeakPolarHBondContact ND1-CG1 3.42Å; F551-V572 WeakPolarHBondContact O-CG2 3.43Å; P570-V572 VanDerWaalsContact C-N 3.31Å; P570-V572 WeakPolarHBondContact CB-O 3.48Å; V572-D574 VanDerWaalsContact C-N 3.31Å; V572-D574 WeakPolarHBondContact CG2-OD1 3.48Å; V572-D574 PolarHBondContact O-N 3.28Å; V572-G575 PolarHBondContact O-N 3.34Å
573P98.1Very high97.6Very high87 Ų8720.4 Ų20.457%0.56511%0.114SC*.THydrogen-bonded Turntrans-60.4-34.8-173.4-25.936.2000115C597P573-C597 WeakPolarHBondContact O-CB 3.38Å
574D98.4Very high97.7Very high61 Ų6120.5 Ų20.533%0.32611%0.114SC..THydrogen-bonded Turntrans-101.533.4-17865.9-29.9000112.1H550 N552 V572H550-D574 IonicContact CE1-OD1 2.88Å; H550-D574 PolarHBondContact CE1-OD1 2.98Å; H550-D574 IonicContact CE1-OD2 2.7Å; H550-D574 IonicContact ND1-OD1 2.89Å; H550-D574 IonicContact NE2-OD1 2.77Å; N552-D574 PolarHBondContact ND2-O 2.79Å; N552-D574 VanDerWaalsContact ND2-O 3.08Å; N552-D574 PolarHBondContact ND2-OD2 2.81Å; V572-D574 VanDerWaalsContact C-N 3.31Å; V572-D574 WeakPolarHBondContact CG2-OD1 3.48Å; V572-D574 PolarHBondContact O-N 3.28Å
575G98.6Very high97.7Very high0 Ų026 Ų260%014%0.139CC..  trans-132.6-178.5-175.800000114.1N552 P570 V572N552-G575 CarbonylContact O-C 3.43Å; N552-G575 WeakPolarHBondContact O-CA 3.4Å; P570-G575 WeakPolarHBondContact CB-O 3.36Å; P570-G575 WeakPolarHBondContact CG-O 3.17Å; V572-G575 PolarHBondContact O-N 3.34Å
576Y98.9Very high97.8Very high2 Ų227.7 Ų27.71%0.00815%0.147CC..EExtended strand (participates in β ladder)trans-121.2142.2177-63-91.2000111.8Y443 Y447 N552 L553 Y554 I591 T592 A593 T600 N601 F605Y443-Y576 HydrophobicContact CE2-CE2 4.48Å; Y447-Y576 HydrophobicContact CE2-CE2 4.19Å; Y447-Y576 WeakPolarHBondContact OH-CE2 3.46Å; Y447-Y576 PolarHBondContact OH-OH 3.1Å; N552-Y576 PolarHBondContact O-N 3.13Å; L553-Y576 HydrophobicContact CD2-CD2 3.9Å; L553-Y576 HydrophobicContact CD2-CG 4.19Å; Y554-Y576 PolarHBondContact N-O 3.04Å; Y576-I591 HydrophobicContact CD1-CG2 3.81Å; Y576-I591 HydrophobicContact CE1-CG2 4.41Å; Y576-T592 WeakPolarHBondContact CA-O 3.46Å; Y576-T592 WeakPolarHBondContact CD1-O 3.46Å; Y576-A593 HydrophobicContact CD1-CB 3.87Å; Y576-A593 HydrophobicContact CE1-CB 3.84Å; Y576-T600 HydrophobicContact CD2-CG2 4.48Å; Y576-T600 HydrophobicContact CE2-CG2 3.88Å; Y576-N601 WeakPolarHBondContact CE1-O 3.33Å; Y576-N601 PolarHBondContact OH-N 3.13Å; Y576-N601 PolarHBondContact OH-O 2.95Å; Y576-F605 HydrophobicContact CD1-CB 4.18Å; Y576-F605 AromaticContact CD1-CD1 3.85Å; Y576-F605 HydrophobicContact CD1-CD1 3.85Å; Y576-F605 HydrophobicContact CD1-CG 4.19Å; Y576-F605 HydrophobicContact CD2-CD1 4.4Å; Y576-F605 HydrophobicContact CE1-CB 3.51Å; Y576-F605 HydrophobicContact CE1-CD1 4.03Å; Y576-F605 AromaticContact CE1-CG 3.88Å; Y576-F605 HydrophobicContact CE1-CG 3.88Å; Y576-F605 HydrophobicContact CE2-CG 4.33Å; Y576-F605 HydrophobicContact CG-CD1 4.02Å; Y576-F605 HydrophobicContact CG-CE1 4.36Å; Y576-F605 AromaticContact CZ-CG 3.93Å
577G98.8Very high97.8Very high2 Ų227.6 Ų27.62%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-97.2121160.900000109.7Y554 I591 T592Y554-G577 WeakPolarHBondContact O-CA 3.47Å; G577-I591 CarbonylContact O-C 3.42Å; G577-I591 WeakPolarHBondContact O-CA 3.43Å; G577-T592 WeakPolarHBondContact CA-OG1 3.3Å; G577-T592 PolarHBondContact N-O 2.53Å; G577-T592 PolarHBondContact N-OG1 3.35Å; G577-T592 PolarHBondContact O-N 2.92Å; G577-T592 PolarHBondContact O-OG1 3.38Å
578V98.9Very high97.9Very high0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-125.4119.9-179.1-173.10000111L439 Y554 T555 S556 I589 A590 I591 F605L439-V578 HydrophobicContact CD1-CG1 4.08Å; L439-V578 HydrophobicContact CD2-CG1 4.05Å; Y554-V578 PolarHBondContact O-N 3.19Å; T555-V578 CarbonylContact C-O 3.48Å; T555-V578 WeakPolarHBondContact CA-O 3.42Å; T555-V578 HydrophobicContact CG2-CB 4.11Å; S556-V578 PolarHBondContact N-O 2.82Å; V578-I589 HydrophobicContact CG1-CG2 3.94Å; V578-A590 WeakPolarHBondContact CA-O 3.42Å; V578-I591 HydrophobicContact CG1-CG1 4.27Å; V578-I591 HydrophobicContact CG2-CG1 4.41Å; V578-I591 HydrophobicContact CG2-CG2 4.49Å; V578-F605 HydrophobicContact CG2-CE1 3.98Å
579C98.6Very high98Very high1 Ų127 Ų271%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-126.7137.1175.4-170.50000110.3S556 V558 M566 F568 I589 A590S556-C579 WeakPolarHBondContact O-CA 3.16Å; S556-C579 PolarHBondContact O-SG 3.17Å; S556-C579 VanDerWaalsContact O-SG 3.39Å; V558-C579 VanDerWaalsContact CG2-SG 3.55Å; M566-C579 WeakPolarHBondContact O-CB 3.29Å; F568-C579 HydrophobicContact CD1-CB 4.29Å; F568-C579 HydrophobicContact CE1-CB 3.54Å; F568-C579 HydrophobicContact CZ-CB 3.82Å; C579-I589 CarbonylContact O-C 3.58Å; C579-I589 WeakPolarHBondContact O-CA 3.29Å; C579-A590 PolarHBondContact N-O 2.97Å; C579-A590 PolarHBondContact O-N 3.35Å
580Y98.6Very high98Very high2 Ų226.8 Ų26.81%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-138.6146.7-176.357.2-89.9000113.8D432 V435 Q436 L439 E455 S556 Q557 V558 P582 N588D432-Y580 WeakPolarHBondContact OD1-CE2 3.46Å; D432-Y580 PolarHBondContact OD1-OH 3.16Å; V435-Y580 HydrophobicContact CB-CD2 4.45Å; V435-Y580 HydrophobicContact CB-CE2 4.12Å; V435-Y580 HydrophobicContact CG1-CD1 4.01Å; V435-Y580 HydrophobicContact CG1-CD2 3.89Å; V435-Y580 HydrophobicContact CG1-CE1 3.97Å; V435-Y580 HydrophobicContact CG1-CE2 3.86Å; V435-Y580 HydrophobicContact CG1-CG 3.97Å; Q436-Y580 WeakPolarHBondContact CG-OH 3.39Å; Q436-Y580 PolarHBondContact NE2-OH 3.41Å; L439-Y580 HydrophobicContact CD1-CE1 4.3Å; E455-Y580 PolarHBondContact OE1-OH 3.26Å; S556-Y580 PolarHBondContact O-N 2.93Å; S556-Y580 VanDerWaalsContact O-N 3.16Å; Q557-Y580 HydrophobicContact CB-CD2 4.31Å; Q557-Y580 HydrophobicContact CB-CE2 3.6Å; Q557-Y580 HydrophobicContact CG-CD2 4.07Å; Q557-Y580 HydrophobicContact CG-CE2 3.58Å; V558-Y580 PolarHBondContact N-O 3.14Å; Y580-P582 HydrophobicContact CD2-CG 3.75Å; Y580-P582 HydrophobicContact CE2-CG 4.15Å; Y580-N588 CarbonylContact C-O 3.5Å; Y580-N588 WeakPolarHBondContact CA-O 2.87Å
581N98Very high98Very high3 Ų326.6 Ų26.62%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-122.199.4176-179.617.4000109.5V558 S560 T562 C564 M583 N588V558-N581 WeakPolarHBondContact O-CB 3.32Å; V558-N581 PolarHBondContact O-OD1 2.88Å; S560-N581 PolarHBondContact N-OD1 3.04Å; S560-N581 VanDerWaalsContact N-OD1 3.09Å; T562-N581 PolarHBondContact O-ND2 3.36Å; C564-N581 WeakPolarHBondContact O-CB 3.27Å; C564-N581 PolarHBondContact O-ND2 3.31Å; N581-M583 PolarHBondContact O-N 2.94Å; N581-N588 PolarHBondContact N-O 3.43Å; N581-N588 PolarHBondContact O-N 2.87Å; N581-N588 VanDerWaalsContact O-N 3.15Å
582P96.7Very high98.2Very high5 Ų521.5 Ų21.53%0.03212%0.115CC..EExtended strand (participates in β ladder)trans-75.3108.4177.1-17.933.8000111.8R421 Q557 Y580R421-P582 HydrophobicContact CB-CB 4.28Å; Q557-P582 HydrophobicContact CG-CG 4.46Å; Y580-P582 HydrophobicContact CD2-CG 3.75Å; Y580-P582 HydrophobicContact CE2-CG 4.15Å
583M97.1Very high98.2Very high28 Ų2820.6 Ų20.614%0.13811%0.11CC..  trans-84.1179170.7-55.5-60.9-76.300110G420 R421 D563 N581 H586G420-M583 CarbonylContact C-O 3.52Å; G420-M583 WeakPolarHBondContact CA-O 3.3Å; R421-M583 WeakPolarHBondContact CG-O 3.36Å; R421-M583 PolarHBondContact N-O 3.17Å; D563-M583 HydrophobicContact CB-CE 4.19Å; N581-M583 PolarHBondContact O-N 2.94Å; M583-H586 CarbonylContact C-O 3.51Å; M583-H586 WeakPolarHBondContact CA-O 3.43Å; M583-H586 VanDerWaalsContact CB-O 3.28Å; M583-H586 WeakPolarHBondContact CB-O 3.49Å; M583-H586 VanDerWaalsContact CG-CE1 3.48Å; M583-H586 WeakPolarHBondContact CG-CE1 3.37Å; M583-H586 PolarHBondContact N-O 3.11Å
584D96.9Very high98.3Very high72 Ų7216.9 Ų16.939%0.3859%0.085SC..SBendtrans-63.4-46.1-179.9-76.4-41000112.2G420 R421 N422G420-D584 CarbonylContact C-O 3.58Å; G420-D584 VanDerWaalsContact CA-O 3.25Å; G420-D584 WeakPolarHBondContact CA-O 3.29Å; R421-D584 IonicContact CZ-OD1 3.51Å; R421-D584 PolarHBondContact N-O 3.19Å; R421-D584 IonicContact NE-OD1 3.38Å; R421-D584 PolarHBondContact NE-OD1 2.77Å; R421-D584 VanDerWaalsContact NH2-CG 3.28Å; R421-D584 IonicContact NH2-OD1 3.92Å; R421-D584 PolarHBondContact NH2-OD1 3.07Å; R421-D584 IonicContact NH2-OD2 2.83Å; R421-D584 PolarHBondContact NH2-OD2 2.89Å; R421-D584 VanDerWaalsContact NH2-OD2 3.16Å; N422-D584 WeakPolarHBondContact CB-O 3.38Å; N422-D584 PolarHBondContact N-O 2.88Å; N422-D584 PolarHBondContact ND2-O 2.85Å
585E97.1Very high98.3Very high121 Ų12118 Ų1857%0.5659%0.091SC*.SBendtrans-118-4.7-172.4-59.8-54.9144.600114.8F419 G420 N422F419-E585 CarbonylContact C-O 3.56Å; F419-E585 VanDerWaalsContact CA-O 3.29Å; F419-E585 WeakPolarHBondContact CA-O 3.37Å; G420-E585 PolarHBondContact N-O 3.13Å; N422-E585 PolarHBondContact ND2-OE1 2.96Å
586H97.9Very high98.2Very high38 Ų3821.8 Ų21.818%0.17612%0.117CC..  trans-145.8172.2175.469.7-77.3000111.8F416 F419 D563 M583 N588F416-H586 CarbonylContact O-C 3.03Å; F416-H586 VanDerWaalsContact O-CA 3.23Å; F416-H586 WeakPolarHBondContact O-CA 3.4Å; F416-H586 VanDerWaalsContact O-CB 3.28Å; F416-H586 WeakPolarHBondContact O-CB 3.44Å; F419-H586 WeakPolarHBondContact O-CA 3.36Å; D563-H586 IonicContact OD1-CD2 3.48Å; D563-H586 IonicContact OD1-CE1 2.6Å; D563-H586 IonicContact OD1-NE2 2.77Å; D563-H586 PolarHBondContact OD1-NE2 3.46Å; D563-H586 IonicContact OD2-CE1 2.82Å; D563-H586 IonicContact OD2-NE2 2.99Å; D563-H586 PolarHBondContact OD2-NE2 3.02Å; M583-H586 CarbonylContact C-O 3.51Å; M583-H586 WeakPolarHBondContact CA-O 3.43Å; M583-H586 VanDerWaalsContact CB-O 3.28Å; M583-H586 WeakPolarHBondContact CB-O 3.49Å; M583-H586 VanDerWaalsContact CG-CE1 3.48Å; M583-H586 WeakPolarHBondContact CG-CE1 3.37Å; M583-H586 PolarHBondContact N-O 3.11Å; H586-N588 PolarHBondContact CD2-OD1 3.2Å
587I98.5Very high98.2Very high4 Ų422.6 Ų22.62%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-132.7125.3174.7-47.8174.5000108.3F416 F419 V435 I589F416-I587 HydrophobicContact CB-CB 4.26Å; F416-I587 WeakPolarHBondContact CB-O 3.46Å; F416-I587 HydrophobicContact CD1-CD1 4.24Å; F416-I587 HydrophobicContact CD1-CG1 4.31Å; F416-I587 PolarHBondContact N-O 3.44Å; F416-I587 PolarHBondContact O-N 3.18Å; F419-I587 HydrophobicContact CE2-CD1 4.34Å; V435-I587 HydrophobicContact CG2-CD1 3.89Å; I587-I589 HydrophobicContact CB-CG1 4.39Å; I587-I589 HydrophobicContact CG2-CD1 4.1Å; I587-I589 HydrophobicContact CG2-CG1 3.69Å
588N98.1Very high98.1Very high6 Ų631.7 Ų31.73%0.03217%0.165CC..EExtended strand (participates in β ladder)trans-89128167.8-60.4-37.1000109D563 C564 V565 Y580 N581 H586D563-N588 PolarHBondContact OD1-ND2 3.4Å; C564-N588 PolarHBondContact O-ND2 2.88Å; V565-N588 HydrophobicContact CB-CB 3.88Å; V565-N588 HydrophobicContact CG2-CB 3.99Å; Y580-N588 CarbonylContact C-O 3.5Å; Y580-N588 WeakPolarHBondContact CA-O 2.87Å; N581-N588 PolarHBondContact N-O 3.43Å; N581-N588 PolarHBondContact O-N 2.87Å; N581-N588 VanDerWaalsContact O-N 3.15Å; H586-N588 PolarHBondContact CD2-OD1 3.2Å
589I98.7Very high98Very high0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-129.8118.3-178.2-50.7178000108.1V413 L414 V578 C579 I587 I591 V609 L613V413-I589 CarbonylContact C-O 3.52Å; V413-I589 WeakPolarHBondContact CA-O 3.46Å; L414-I589 HydrophobicContact CB-CB 4.36Å; L414-I589 HydrophobicContact CD2-CD1 4.27Å; L414-I589 PolarHBondContact N-O 3.5Å; L414-I589 PolarHBondContact O-N 3.04Å; V578-I589 HydrophobicContact CG1-CG2 3.94Å; C579-I589 CarbonylContact O-C 3.58Å; C579-I589 WeakPolarHBondContact O-CA 3.29Å; I587-I589 HydrophobicContact CB-CG1 4.39Å; I587-I589 HydrophobicContact CG2-CD1 4.1Å; I587-I589 HydrophobicContact CG2-CG1 3.69Å; I589-I591 HydrophobicContact CG2-CD1 4.19Å; I589-I591 HydrophobicContact CG2-CG1 3.88Å; I589-V609 HydrophobicContact CD1-CG1 4.01Å; I589-L613 HydrophobicContact CD1-CD1 4.02Å
590A98.6Very high98Very high1 Ų138.1 Ų38.11%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-98130.5168.100000109.2V413 V565 M566 C567 V578 C579V413-A590 HydrophobicContact CG2-CB 4.15Å; V565-A590 HydrophobicContact CG2-CB 3.72Å; M566-A590 VanDerWaalsContact O-CB 3.31Å; M566-A590 WeakPolarHBondContact O-CB 3.27Å; C567-A590 HydrophobicContact CB-CB 3.8Å; V578-A590 WeakPolarHBondContact CA-O 3.42Å; C579-A590 PolarHBondContact N-O 2.97Å; C579-A590 PolarHBondContact O-N 3.35Å
591I98.9Very high98Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-124.7129.7178.4-57-176.1000107.6K412 Y576 G577 V578 I589 A602 F605 A606 V609K412-I591 PolarHBondContact N-O 3.35Å; K412-I591 PolarHBondContact O-N 3.47Å; Y576-I591 HydrophobicContact CD1-CG2 3.81Å; Y576-I591 HydrophobicContact CE1-CG2 4.41Å; G577-I591 CarbonylContact O-C 3.42Å; G577-I591 WeakPolarHBondContact O-CA 3.43Å; V578-I591 HydrophobicContact CG1-CG1 4.27Å; V578-I591 HydrophobicContact CG2-CG1 4.41Å; V578-I591 HydrophobicContact CG2-CG2 4.49Å; I589-I591 HydrophobicContact CG2-CD1 4.19Å; I589-I591 HydrophobicContact CG2-CG1 3.88Å; I591-A602 HydrophobicContact CB-CB 4.45Å; I591-A602 HydrophobicContact CG2-CB 3.94Å; I591-F605 HydrophobicContact CD1-CD1 3.97Å; I591-F605 HydrophobicContact CG2-CB 4.47Å; I591-F605 HydrophobicContact CG2-CD1 3.85Å; I591-A606 HydrophobicContact CD1-CB 3.82Å; I591-V609 HydrophobicContact CD1-CG2 4.33Å
592T98.9Very high98.1Very high0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-123149.9174.361.20000110.5D410 V411 F568 P570 Y576 G577D410-T592 WeakPolarHBondContact O-CA 3.42Å; V411-T592 HydrophobicContact CG1-CG2 4.32Å; V411-T592 HydrophobicContact CG2-CG2 4.14Å; F568-T592 WeakPolarHBondContact O-CB 3.49Å; F568-T592 VanDerWaalsContact O-CG2 3.26Å; F568-T592 WeakPolarHBondContact O-CG2 3.34Å; F568-T592 PolarHBondContact O-OG1 3.37Å; P570-T592 WeakPolarHBondContact CD-OG1 3.29Å; Y576-T592 WeakPolarHBondContact CA-O 3.46Å; Y576-T592 WeakPolarHBondContact CD1-O 3.46Å; G577-T592 WeakPolarHBondContact CA-OG1 3.3Å; G577-T592 PolarHBondContact N-O 2.53Å; G577-T592 PolarHBondContact N-OG1 3.35Å; G577-T592 PolarHBondContact O-N 2.92Å; G577-T592 PolarHBondContact O-OG1 3.38Å
593A98.8Very high98.1Very high0 Ų042.3 Ų42.30%023%0.228CC..EExtended strand (participates in β ladder)trans-146.8172.8175.200000109.2D410 Y576 A602D410-A593 HydrophobicContact CB-CB 4.32Å; D410-A593 PolarHBondContact N-O 3.35Å; D410-A593 PolarHBondContact O-N 2.86Å; D410-A593 VanDerWaalsContact O-N 3.07Å; Y576-A593 HydrophobicContact CD1-CB 3.87Å; Y576-A593 HydrophobicContact CE1-CB 3.84Å; A593-A602 HydrophobicContact CB-CB 4.22Å
594F98.7Very high98.2Very high8 Ų845.7 Ų45.74%0.03525%0.247CC..EExtended strand (participates in β ladder)trans-108.3125.5171.6-66.6-64.2000110.7V118 Y119 D408 L409 P570 S596 C597 T600V118-F594 HydrophobicContact CG1-CE1 4.29Å; Y119-F594 AromaticContact CD1-CZ 3.94Å; Y119-F594 HydrophobicContact CD1-CZ 3.94Å; Y119-F594 AromaticContact CE1-CE1 3.91Å; Y119-F594 HydrophobicContact CE1-CE1 3.91Å; Y119-F594 HydrophobicContact CE1-CE2 4.32Å; Y119-F594 AromaticContact CE1-CZ 3.43Å; Y119-F594 HydrophobicContact CE1-CZ 3.43Å; Y119-F594 VanDerWaalsContact CE1-CZ 3.43Å; D408-F594 CarbonylContact O-C 3.59Å; D408-F594 VanDerWaalsContact O-CA 3.3Å; D408-F594 WeakPolarHBondContact O-CA 3.39Å; L409-F594 HydrophobicContact CD1-CD1 4.29Å; L409-F594 HydrophobicContact CD1-CE1 3.96Å; P570-F594 HydrophobicContact CB-CD2 4.05Å; P570-F594 HydrophobicContact CB-CE2 3.71Å; P570-F594 HydrophobicContact CG-CD2 3.83Å; P570-F594 HydrophobicContact CG-CE2 3.72Å; P570-F594 HydrophobicContact CG-CG 4.5Å; P570-F594 HydrophobicContact CG-CZ 4.28Å; F594-S596 PolarHBondContact O-N 3.09Å; F594-C597 PolarHBondContact O-N 2.92Å; F594-T600 PolarHBondContact O-OG1 3.2Å
595N98.5Very high98.3Very high84 Ų8442.2 Ų42.245%0.44923%0.228SC..THydrogen-bonded Turntrans-62-22177.7-69.3-45.7000112.6Q407 D408 C597Q407-N595 PolarHBondContact O-ND2 2.93Å; D408-N595 PolarHBondContact O-N 2.88Å; D408-N595 PolarHBondContact O-ND2 2.99Å; D408-N595 PolarHBondContact OD1-N 3.36Å; N595-C597 PolarHBondContact O-N 3.42Å
596S97.9Very high98.4Very high81 Ų8136.6 Ų36.657%0.56620%0.203SC*.THydrogen-bonded Turntrans-67.7-15.9172.950.20000114.2D408 F594D408-S596 WeakPolarHBondContact OD1-CB 3.32Å; D408-S596 PolarHBondContact OD1-N 3.45Å; D408-S596 PolarHBondContact OD1-OG 3.5Å; D408-S596 PolarHBondContact OD2-OG 3.34Å; F594-S596 PolarHBondContact O-N 3.09Å
597C98.1Very high98.4Very high18 Ų1838.9 Ų38.912%0.12221%0.213CC..  trans-102.4107.5170.7-176.10000110.2P573 F594 N595 D599 T600P573-C597 WeakPolarHBondContact O-CB 3.38Å; F594-C597 PolarHBondContact O-N 2.92Å; N595-C597 PolarHBondContact O-N 3.42Å; C597-D599 PolarHBondContact O-N 2.96Å; C597-T600 HydrophobicContact CB-CG2 4.4Å; C597-T600 PolarHBondContact O-N 3.32Å; C597-T600 VanDerWaalsContact O-N 3.08Å; C597-T600 PolarHBondContact O-OG1 3.31Å
598E97.4Very high98.4Very high193 Ų19339.2 Ų39.290%0.90222%0.216SC*.THydrogen-bonded Turntrans-61.3-25.9-179.2-62.3-174.8171.900113.1T600E598-T600 VanDerWaalsContact C-N 3.31Å
599D97.2Very high98.5Very high127 Ų12739 Ų3968%0.67922%0.215SC*.THydrogen-bonded Turntrans-74.7-21.8179.2-62.1-38.6000112.4Y447 C597Y447-D599 WeakPolarHBondContact CE1-O 3.4Å; Y447-D599 PolarHBondContact OH-O 2.94Å; C597-D599 PolarHBondContact O-N 2.96Å
600T98.4Very high98.5Very high10 Ų1042 Ų426%0.06123%0.228CC..  trans-104.8136.7-177.565.80000112.7Y576 F594 C597 E598Y576-T600 HydrophobicContact CD2-CG2 4.48Å; Y576-T600 HydrophobicContact CE2-CG2 3.88Å; F594-T600 PolarHBondContact O-OG1 3.2Å; C597-T600 HydrophobicContact CB-CG2 4.4Å; C597-T600 PolarHBondContact O-N 3.32Å; C597-T600 VanDerWaalsContact O-N 3.08Å; C597-T600 PolarHBondContact O-OG1 3.31Å; E598-T600 VanDerWaalsContact C-N 3.31Å
601N98.6Very high98.5Very high53 Ų5345.9 Ų45.928%0.28325%0.246SC..  trans-149.1122.3173.7-175.8-79000110.4Y576 A603 N604 F605Y576-N601 WeakPolarHBondContact CE1-O 3.33Å; Y576-N601 PolarHBondContact OH-N 3.13Å; Y576-N601 PolarHBondContact OH-O 2.95Å; N601-A603 WeakPolarHBondContact OD1-CB 3.26Å; N601-A603 PolarHBondContact OD1-N 3.17Å; N601-A603 VanDerWaalsContact OD1-N 3.15Å; N601-N604 HydrophobicContact CB-CB 4.03Å; N601-N604 PolarHBondContact OD1-N 3.43Å; N601-F605 WeakPolarHBondContact O-CB 3.46Å; N601-F605 PolarHBondContact O-N 2.77Å
602A98.6Very high98.5Very high0 Ų045.9 Ų45.90%025%0.246CC..Hα-helixtrans-70.4-34.2-173.300000112.1D410 K412 I591 A593 A606D410-A602 HydrophobicContact CB-CB 4.16Å; D410-A602 WeakPolarHBondContact OD2-CA 3.41Å; D410-A602 WeakPolarHBondContact OD2-CB 3.34Å; D410-A602 PolarHBondContact OD2-N 3.25Å; K412-A602 HydrophobicContact CB-CB 4.06Å; I591-A602 HydrophobicContact CB-CB 4.45Å; I591-A602 HydrophobicContact CG2-CB 3.94Å; A593-A602 HydrophobicContact CB-CB 4.22Å; A602-A606 VanDerWaalsContact O-CB 3.26Å; A602-A606 WeakPolarHBondContact O-CB 3.35Å; A602-A606 PolarHBondContact O-N 3.42Å
603A98.2Very high98.5Very high44 Ų4445.9 Ų45.936%0.36425%0.246SC..Hα-helixtrans-69.3-44.9177.100000112.3N601 A606 Q607N601-A603 WeakPolarHBondContact OD1-CB 3.26Å; N601-A603 PolarHBondContact OD1-N 3.17Å; N601-A603 VanDerWaalsContact OD1-N 3.15Å; A603-A606 WeakPolarHBondContact O-CB 3.48Å; A603-A606 PolarHBondContact O-N 3.12Å; A603-Q607 PolarHBondContact O-N 3.41Å
604N98.6Very high98.5Very high99 Ų9948.1 Ų48.153%0.52926%0.258SS..Hα-helixtrans-63.6-43.8176.3-66.8-11.4000110.7M446 N601 A606 Q607 A608M446-N604 HydrophobicContact CE-CB 4.03Å; N601-N604 HydrophobicContact CB-CB 4.03Å; N601-N604 PolarHBondContact OD1-N 3.43Å; N604-A606 PolarHBondContact O-N 3.5Å; N604-Q607 PolarHBondContact O-N 2.83Å; N604-A608 PolarHBondContact O-N 2.89Å
605F98.8Very high98.5Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-65.5-38.7176.4-165.9-121.8000112A442 Y443 M446 L553 Y576 V578 I591 N601 Q607 A608 V609A442-F605 HydrophobicContact CB-CE2 4Å; Y443-F605 HydrophobicContact CD2-CE2 4.1Å; Y443-F605 HydrophobicContact CD2-CZ 4.35Å; M446-F605 HydrophobicContact SD-CB 4.13Å; M446-F605 HydrophobicContact SD-CD2 3.66Å; M446-F605 HydrophobicContact SD-CG 4.4Å; L553-F605 HydrophobicContact CD1-CZ 4.31Å; L553-F605 HydrophobicContact CD2-CE1 3.84Å; L553-F605 HydrophobicContact CD2-CZ 3.74Å; Y576-F605 HydrophobicContact CD1-CB 4.18Å; Y576-F605 AromaticContact CD1-CD1 3.85Å; Y576-F605 HydrophobicContact CD1-CD1 3.85Å; Y576-F605 HydrophobicContact CD1-CG 4.19Å; Y576-F605 HydrophobicContact CD2-CD1 4.4Å; Y576-F605 HydrophobicContact CE1-CB 3.51Å; Y576-F605 HydrophobicContact CE1-CD1 4.03Å; Y576-F605 AromaticContact CE1-CG 3.88Å; Y576-F605 HydrophobicContact CE1-CG 3.88Å; Y576-F605 HydrophobicContact CE2-CG 4.33Å; Y576-F605 HydrophobicContact CG-CD1 4.02Å; Y576-F605 HydrophobicContact CG-CE1 4.36Å; Y576-F605 AromaticContact CZ-CG 3.93Å; V578-F605 HydrophobicContact CG2-CE1 3.98Å; I591-F605 HydrophobicContact CD1-CD1 3.97Å; I591-F605 HydrophobicContact CG2-CB 4.47Å; I591-F605 HydrophobicContact CG2-CD1 3.85Å; N601-F605 WeakPolarHBondContact O-CB 3.46Å; N601-F605 PolarHBondContact O-N 2.77Å; F605-Q607 VanDerWaalsContact C-N 3.3Å; F605-Q607 PolarHBondContact O-N 2.88Å; F605-A608 PolarHBondContact O-N 3.38Å; F605-V609 HydrophobicContact CD1-CG2 4.28Å; F605-V609 HydrophobicContact CE1-CG2 4.05Å; F605-V609 HydrophobicContact CE2-CG2 4.4Å; F605-V609 HydrophobicContact CZ-CG2 4.11Å; F605-V609 WeakPolarHBondContact O-CB 3.14Å; F605-V609 VanDerWaalsContact O-CG2 3.25Å; F605-V609 WeakPolarHBondContact O-CG2 3.46Å; F605-V609 PolarHBondContact O-N 3.19Å
606A98.8Very high98.5Very high3 Ų346.6 Ų46.63%0.02525%0.25CS..Hα-helixtrans-59.4-40.8172.700000112.6K412 L414 I591 A602 A603 N604 V609 K610K412-A606 HydrophobicContact CB-CB 4.44Å; K412-A606 HydrophobicContact CG-CB 3.72Å; L414-A606 HydrophobicContact CB-CB 4.45Å; I591-A606 HydrophobicContact CD1-CB 3.82Å; A602-A606 VanDerWaalsContact O-CB 3.26Å; A602-A606 WeakPolarHBondContact O-CB 3.35Å; A602-A606 PolarHBondContact O-N 3.42Å; A603-A606 WeakPolarHBondContact O-CB 3.48Å; A603-A606 PolarHBondContact O-N 3.12Å; N604-A606 PolarHBondContact O-N 3.5Å; A606-V609 PolarHBondContact O-N 3.44Å; A606-K610 WeakPolarHBondContact O-CB 3.46Å; A606-K610 PolarHBondContact O-N 2.88Å
607Q98.6Very high98.5Very high86 Ų8647.1 Ų47.140%0.40224%0.24SC..Hα-helixtrans-66.1-45.4176.3-176.857.433.700111.2A603 N604 F605 V609 K610 E611A603-Q607 PolarHBondContact O-N 3.41Å; N604-Q607 PolarHBondContact O-N 2.83Å; F605-Q607 VanDerWaalsContact C-N 3.3Å; F605-Q607 PolarHBondContact O-N 2.88Å; Q607-V609 VanDerWaalsContact C-N 3.32Å; Q607-V609 PolarHBondContact O-N 3.09Å; Q607-K610 WeakPolarHBondContact O-CB 3.29Å; Q607-K610 PolarHBondContact O-N 2.96Å; Q607-E611 PolarHBondContact NE2-OE1 2.71Å; Q607-E611 WeakPolarHBondContact O-CG 3.44Å; Q607-E611 PolarHBondContact O-N 2.91Å
608A98.8Very high98.4Very high10 Ų1047.8 Ų47.88%0.08325%0.246CC..Hα-helixtrans-60.4-39.7175.500000112.3A442 M446 N604 F605 E611 A612A442-A608 HydrophobicContact CB-CB 3.94Å; M446-A608 HydrophobicContact CG-CB 4Å; M446-A608 HydrophobicContact SD-CB 3.77Å; N604-A608 PolarHBondContact O-N 2.89Å; F605-A608 PolarHBondContact O-N 3.38Å; A608-E611 PolarHBondContact O-N 3.33Å; A608-A612 VanDerWaalsContact O-CB 3.31Å; A608-A612 WeakPolarHBondContact O-CB 3.34Å; A608-A612 PolarHBondContact O-N 3.22Å
609V98.9Very high98.4Very high1 Ų138.8 Ų38.81%0.00621%0.205CC..Hα-helixtrans-65.1-42.9175.1170.10000111.4L439 A442 I589 I591 F605 A606 Q607 E611 A612 L613L439-V609 HydrophobicContact CD2-CB 4.48Å; L439-V609 HydrophobicContact CD2-CG1 3.96Å; L439-V609 HydrophobicContact CD2-CG2 3.61Å; A442-V609 HydrophobicContact CB-CB 4.34Å; A442-V609 HydrophobicContact CB-CG2 3.65Å; I589-V609 HydrophobicContact CD1-CG1 4.01Å; I591-V609 HydrophobicContact CD1-CG2 4.33Å; F605-V609 HydrophobicContact CD1-CG2 4.28Å; F605-V609 HydrophobicContact CE1-CG2 4.05Å; F605-V609 HydrophobicContact CE2-CG2 4.4Å; F605-V609 HydrophobicContact CZ-CG2 4.11Å; F605-V609 WeakPolarHBondContact O-CB 3.14Å; F605-V609 VanDerWaalsContact O-CG2 3.25Å; F605-V609 WeakPolarHBondContact O-CG2 3.46Å; F605-V609 PolarHBondContact O-N 3.19Å; A606-V609 PolarHBondContact O-N 3.44Å; Q607-V609 VanDerWaalsContact C-N 3.32Å; Q607-V609 PolarHBondContact O-N 3.09Å; V609-E611 VanDerWaalsContact C-N 3.35Å; V609-E611 PolarHBondContact O-N 3.15Å; V609-A612 PolarHBondContact O-N 2.97Å; V609-L613 HydrophobicContact CG1-CD1 4.05Å; V609-L613 WeakPolarHBondContact O-CB 3.47Å; V609-L613 WeakPolarHBondContact O-CG 3.46Å; V609-L613 PolarHBondContact O-N 3.43Å
610K98.8Very high98.3Very high63 Ų6332.8 Ų32.827%0.27417%0.172SC..Hα-helixtrans-59.1-46.7175.3179.6-178176.7-177.20111.3L414 F416 H418 A606 Q607 L613 L614L414-K610 HydrophobicContact CD1-CD 4.4Å; L414-K610 HydrophobicContact CD2-CB 3.97Å; F416-K610 HydrophobicContact CD2-CG 4.12Å; F416-K610 HydrophobicContact CE2-CG 4.15Å; H418-K610 WeakPolarHBondContact NE2-CE 3.45Å; A606-K610 WeakPolarHBondContact O-CB 3.46Å; A606-K610 PolarHBondContact O-N 2.88Å; Q607-K610 WeakPolarHBondContact O-CB 3.29Å; Q607-K610 PolarHBondContact O-N 2.96Å; K610-L613 PolarHBondContact O-N 3.5Å; K610-L614 HydrophobicContact CG-CD1 4.21Å; K610-L614 WeakPolarHBondContact O-CG 3.43Å; K610-L614 PolarHBondContact O-N 3.24Å; K610-L614 VanDerWaalsContact O-N 3.08Å
611E98.8Very high97.9Very high84 Ų8435.6 Ų35.639%0.39319%0.189SC..Hα-helixtrans-64.2-46.1178.1-71.9169.3-170.200111.6Q607 A608 V609 L613 L614 D615Q607-E611 PolarHBondContact NE2-OE1 2.71Å; Q607-E611 WeakPolarHBondContact O-CG 3.44Å; Q607-E611 PolarHBondContact O-N 2.91Å; A608-E611 PolarHBondContact O-N 3.33Å; V609-E611 VanDerWaalsContact C-N 3.35Å; V609-E611 PolarHBondContact O-N 3.15Å; E611-L613 VanDerWaalsContact C-N 3.34Å; E611-L613 PolarHBondContact O-N 3.35Å; E611-L614 PolarHBondContact O-N 3.45Å; E611-L614 VanDerWaalsContact O-N 3.15Å; E611-D615 WeakPolarHBondContact O-CB 3.35Å; E611-D615 VanDerWaalsContact O-CG 3.28Å; E611-D615 PolarHBondContact O-N 3.06Å
612A98.8Very high97.6Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-57.1-44.9176.100000112.3A438 L441 A442 A608 V609 L614 D615 M616A438-A612 HydrophobicContact CB-CB 4.27Å; A438-A612 WeakPolarHBondContact O-CB 3.23Å; L441-A612 HydrophobicContact CB-CB 4.15Å; L441-A612 HydrophobicContact CD2-CB 3.91Å; L441-A612 HydrophobicContact CG-CB 4.02Å; A442-A612 HydrophobicContact CB-CB 4.13Å; A608-A612 VanDerWaalsContact O-CB 3.31Å; A608-A612 WeakPolarHBondContact O-CB 3.34Å; A608-A612 PolarHBondContact O-N 3.22Å; V609-A612 PolarHBondContact O-N 2.97Å; A612-L614 PolarHBondContact O-N 3.3Å; A612-D615 PolarHBondContact O-N 2.87Å; A612-M616 WeakPolarHBondContact O-CB 3.38Å; A612-M616 WeakPolarHBondContact O-CG 3.34Å; A612-M616 PolarHBondContact O-N 2.94Å
613L98.8Very high97Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-62.8-40.8176.2-75.9167.7000112.4F416 F419 F434 A438 I589 V609 K610 E611 R617F416-L613 HydrophobicContact CD1-CD1 4.21Å; F416-L613 HydrophobicContact CD2-CB 4.43Å; F416-L613 HydrophobicContact CD2-CD1 3.88Å; F416-L613 HydrophobicContact CE1-CB 4.26Å; F416-L613 HydrophobicContact CE1-CD1 4.29Å; F416-L613 HydrophobicContact CE2-CB 3.66Å; F416-L613 HydrophobicContact CE2-CD1 3.96Å; F416-L613 HydrophobicContact CE2-CG 4.48Å; F416-L613 HydrophobicContact CG-CD1 4.01Å; F416-L613 HydrophobicContact CZ-CB 3.57Å; F416-L613 HydrophobicContact CZ-CD1 4.17Å; F416-L613 HydrophobicContact CZ-CG 4.45Å; F419-L613 WeakPolarHBondContact CE1-O 3.41Å; F419-L613 HydrophobicContact CE2-CD2 4.41Å; F419-L613 HydrophobicContact CZ-CB 4.04Å; F419-L613 HydrophobicContact CZ-CD2 4.07Å; F434-L613 HydrophobicContact CD1-CD2 4.29Å; F434-L613 HydrophobicContact CE1-CD2 4.07Å; A438-L613 HydrophobicContact CB-CD2 3.56Å; A438-L613 HydrophobicContact CB-CG 3.78Å; I589-L613 HydrophobicContact CD1-CD1 4.02Å; V609-L613 HydrophobicContact CG1-CD1 4.05Å; V609-L613 WeakPolarHBondContact O-CB 3.47Å; V609-L613 WeakPolarHBondContact O-CG 3.46Å; V609-L613 PolarHBondContact O-N 3.43Å; K610-L613 PolarHBondContact O-N 3.5Å; E611-L613 VanDerWaalsContact C-N 3.34Å; E611-L613 PolarHBondContact O-N 3.35Å; L613-R617 WeakPolarHBondContact O-CB 2.81Å; L613-R617 PolarHBondContact O-N 3Å
614L98.8Very high96.2Very high47 Ų4737.8 Ų37.825%0.24620%0.197CC..Hα-helixtrans-67.8-42.7177.9-74172.2000112.1F416 H418 K610 E611 A612 R617 A618F416-L614 HydrophobicContact CE2-CD2 4.36Å; F416-L614 HydrophobicContact CE2-CG 4.13Å; F416-L614 HydrophobicContact CZ-CD2 4.22Å; F416-L614 HydrophobicContact CZ-CG 4.36Å; H418-L614 HydrophobicContact CB-CD2 3.91Å; K610-L614 HydrophobicContact CG-CD1 4.21Å; K610-L614 WeakPolarHBondContact O-CG 3.43Å; K610-L614 PolarHBondContact O-N 3.24Å; K610-L614 VanDerWaalsContact O-N 3.08Å; E611-L614 PolarHBondContact O-N 3.45Å; E611-L614 VanDerWaalsContact O-N 3.15Å; A612-L614 PolarHBondContact O-N 3.3Å; L614-R617 WeakPolarHBondContact O-CB 3.39Å; L614-R617 PolarHBondContact O-N 2.9Å; L614-A618 PolarHBondContact O-N 2.78Å
615D98.5Very high95.1Very high60 Ų6035.9 Ų35.932%0.32120%0.195SC..Hα-helixtrans-68.3-40.1179-68.9-17.2000111.6R445 M484 E611 A612 R617 A618 L619R445-D615 IonicContact CZ-OD2 3.44Å; R445-D615 IonicContact NH1-OD2 2.7Å; R445-D615 PolarHBondContact NH1-OD2 3.4Å; R445-D615 IonicContact NH2-OD2 3.59Å; R445-D615 PolarHBondContact NH2-OD2 2.85Å; M484-D615 HydrophobicContact CE-CB 3.73Å; E611-D615 WeakPolarHBondContact O-CB 3.35Å; E611-D615 VanDerWaalsContact O-CG 3.28Å; E611-D615 PolarHBondContact O-N 3.06Å; A612-D615 PolarHBondContact O-N 2.87Å; D615-R617 VanDerWaalsContact C-N 3.3Å; D615-R617 PolarHBondContact O-N 3.41Å; D615-A618 PolarHBondContact O-N 3.15Å; D615-L619 WeakPolarHBondContact O-CB 3.4Å; D615-L619 PolarHBondContact O-N 3.45Å
616M98.6Very high93.8Very high0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-62.9-38.5172.8-72.5172.354.300111.1F434 M437 A438 L441 F480 L498 A612 L619 L620F434-M616 HydrophobicContact CD1-CE 3.99Å; F434-M616 HydrophobicContact CD2-CE 3.63Å; F434-M616 HydrophobicContact CE1-CB 4.23Å; F434-M616 HydrophobicContact CE1-CE 3.88Å; F434-M616 HydrophobicContact CE2-CB 4.01Å; F434-M616 HydrophobicContact CE2-CE 3.51Å; F434-M616 HydrophobicContact CG-CE 3.88Å; F434-M616 HydrophobicContact CZ-CB 3.5Å; F434-M616 HydrophobicContact CZ-CE 3.66Å; F434-M616 VanDerWaalsContact O-CE 3.28Å; F434-M616 WeakPolarHBondContact O-CE 3.4Å; M437-M616 HydrophobicContact CB-CE 4.06Å; A438-M616 WeakPolarHBondContact CA-SD 3.24Å; A438-M616 HydrophobicContact CB-CE 4.28Å; A438-M616 HydrophobicContact CB-SD 3.62Å; L441-M616 HydrophobicContact CD2-CG 4.13Å; L441-M616 HydrophobicContact CD2-SD 4.27Å; F480-M616 HydrophobicContact CE1-SD 4.39Å; F480-M616 HydrophobicContact CZ-CG 4.11Å; F480-M616 HydrophobicContact CZ-SD 4.08Å; L498-M616 HydrophobicContact CD1-CE 3.72Å; L498-M616 HydrophobicContact CD2-CE 4.37Å; A612-M616 WeakPolarHBondContact O-CB 3.38Å; A612-M616 WeakPolarHBondContact O-CG 3.34Å; A612-M616 PolarHBondContact O-N 2.94Å; M616-L619 WeakPolarHBondContact O-CB 3.31Å; M616-L619 PolarHBondContact O-N 3.47Å; M616-L620 WeakPolarHBondContact O-CG 3.35Å; M616-L620 PolarHBondContact O-N 3.24Å; M616-L620 VanDerWaalsContact O-N 3.11Å
617R97.7Very high92.1Very high92 Ų9248 Ų4835%0.34726%0.258SS..Hα-helixtrans-61.6-46.8171.4171.9-175.7117.9170.20.5111.8H418 F419 L423 L613 L614 D615 L619 L620 T621H418-R617 PolarHBondContact O-NH1 3.49Å; F419-R617 HydrophobicContact CD1-CB 4.22Å; F419-R617 HydrophobicContact CD1-CG 4.29Å; F419-R617 HydrophobicContact CE1-CB 3.66Å; F419-R617 HydrophobicContact CE1-CG 4.23Å; F419-R617 HydrophobicContact CZ-CB 4.39Å; L423-R617 HydrophobicContact CD2-CB 3.79Å; L423-R617 HydrophobicContact CD2-CG 3.61Å; L613-R617 WeakPolarHBondContact O-CB 2.81Å; L613-R617 PolarHBondContact O-N 3Å; L614-R617 WeakPolarHBondContact O-CB 3.39Å; L614-R617 PolarHBondContact O-N 2.9Å; D615-R617 VanDerWaalsContact C-N 3.3Å; D615-R617 PolarHBondContact O-N 3.41Å; R617-L619 VanDerWaalsContact C-N 3.3Å; R617-L619 PolarHBondContact O-N 3Å; R617-L620 WeakPolarHBondContact O-CB 3.26Å; R617-L620 PolarHBondContact O-N 3.45Å; R617-L620 VanDerWaalsContact O-N 3.15Å; R617-T621 PolarHBondContact O-N 2.9Å; R617-T621 PolarHBondContact O-OG1 3.1Å
618A97.4Very high89.7Confident31 Ų3154.5 Ų54.526%0.25629%0.289SS..Hα-helixtrans-57.5-45.3178.300000111L614 D615 L620 T621 E622L614-A618 PolarHBondContact O-N 2.78Å; D615-A618 PolarHBondContact O-N 3.15Å; A618-L620 VanDerWaalsContact C-N 3.32Å; A618-L620 PolarHBondContact O-N 2.63Å; A618-T621 WeakPolarHBondContact CA-OG1 3.41Å; A618-T621 PolarHBondContact O-N 2.92Å; A618-T621 VanDerWaalsContact O-N 3.14Å; A618-T621 PolarHBondContact O-OG1 3.03Å; A618-E622 WeakPolarHBondContact O-CB 3.33Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 3.22Å
619L97.1Very high89.3Confident5 Ų556.8 Ų56.83%0.02630%0.299CS..Hα-helixtrans-56.1-43.1175.1-179.864.1000112.5M484 N491 R494 F495 L498 D615 M616 R617 T623M484-L619 HydrophobicContact CE-CD2 4.49Å; M484-L619 HydrophobicContact SD-CD2 4.13Å; N491-L619 HydrophobicContact CB-CD1 3.83Å; N491-L619 WeakPolarHBondContact O-CD1 3.04Å; R494-L619 HydrophobicContact CB-CD1 3.95Å; R494-L619 HydrophobicContact CB-CD2 4.08Å; F495-L619 HydrophobicContact CB-CD1 4.21Å; F495-L619 HydrophobicContact CB-CD2 4.42Å; F495-L619 HydrophobicContact CB-CG 4.22Å; L498-L619 HydrophobicContact CD2-CD2 4.13Å; D615-L619 WeakPolarHBondContact O-CB 3.4Å; D615-L619 PolarHBondContact O-N 3.45Å; M616-L619 WeakPolarHBondContact O-CB 3.31Å; M616-L619 PolarHBondContact O-N 3.47Å; R617-L619 VanDerWaalsContact C-N 3.3Å; R617-L619 PolarHBondContact O-N 3Å; L619-T623 VanDerWaalsContact O-CB 3.25Å; L619-T623 WeakPolarHBondContact O-CB 3.46Å; L619-T623 PolarHBondContact O-N 3.35Å; L619-T623 VanDerWaalsContact O-N 3.16Å; L619-T623 PolarHBondContact O-OG1 3.18Å
620L94.4Very high88.8Confident1 Ų159.7 Ų59.71%0.00532%0.315CS..Hα-helixtrans-62.5-47.1175.7-66-176.3000111.9L423 H427 L429 F434 F495 L498 M616 R617 A618 A624L423-L620 HydrophobicContact CD2-CD1 4.41Å; L423-L620 HydrophobicContact CG-CD1 4.36Å; H427-L620 HydrophobicContact CB-CD1 4.3Å; H427-L620 HydrophobicContact CB-CD2 4.24Å; L429-L620 HydrophobicContact CD1-CD2 3.89Å; F434-L620 HydrophobicContact CE2-CD1 3.72Å; F434-L620 HydrophobicContact CE2-CG 4.28Å; F434-L620 HydrophobicContact CZ-CD1 4.05Å; F495-L620 HydrophobicContact CD2-CD2 3.83Å; F495-L620 HydrophobicContact CE2-CD2 3.27Å; F495-L620 HydrophobicContact CZ-CD2 4.23Å; L498-L620 HydrophobicContact CD2-CD2 4.39Å; M616-L620 WeakPolarHBondContact O-CG 3.35Å; M616-L620 PolarHBondContact O-N 3.24Å; M616-L620 VanDerWaalsContact O-N 3.11Å; R617-L620 WeakPolarHBondContact O-CB 3.26Å; R617-L620 PolarHBondContact O-N 3.45Å; R617-L620 VanDerWaalsContact O-N 3.15Å; A618-L620 VanDerWaalsContact C-N 3.32Å; A618-L620 PolarHBondContact O-N 2.63Å; L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 2.94Å; L620-A624 VanDerWaalsContact O-N 3.1Å
621T91.1Very high88.2Confident68 Ų6859.5 Ų59.542%0.41732%0.317SS..Hα-helixtrans-69.8-43.4-175.948.70000112.8R617 A618 A624 A625R617-T621 PolarHBondContact O-N 2.9Å; R617-T621 PolarHBondContact O-OG1 3.1Å; A618-T621 WeakPolarHBondContact CA-OG1 3.41Å; A618-T621 PolarHBondContact O-N 2.92Å; A618-T621 VanDerWaalsContact O-N 3.14Å; A618-T621 PolarHBondContact O-OG1 3.03Å; T621-A624 PolarHBondContact O-N 2.63Å; T621-A625 PolarHBondContact O-N 3.29Å
622E91.2Very high87.6Confident101 Ų10158.1 Ų58.147%0.47231%0.312SS..Hα-helixtrans-69.2-38.8-179.1-69.9171.9-17000111.4N491 A618 A624 A625 A626N491-E622 PolarHBondContact ND2-OE2 3.2Å; A618-E622 WeakPolarHBondContact O-CB 3.33Å; A618-E622 WeakPolarHBondContact O-CG 3.46Å; A618-E622 PolarHBondContact O-N 3.22Å; E622-A624 VanDerWaalsContact C-N 3.33Å; E622-A625 PolarHBondContact O-N 3.39Å; E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.01Å
623T86.4Confident86.9Confident9 Ų961.7 Ų61.76%0.05533%0.332CS..Hα-helixtrans-69.9-32.8176.9-52.70000111.9F495 L619 R627F495-T623 HydrophobicContact CB-CG2 4.11Å; F495-T623 HydrophobicContact CD1-CG2 3.65Å; F495-T623 HydrophobicContact CE1-CG2 4.35Å; F495-T623 HydrophobicContact CG-CG2 3.99Å; L619-T623 VanDerWaalsContact O-CB 3.25Å; L619-T623 WeakPolarHBondContact O-CB 3.46Å; L619-T623 PolarHBondContact O-N 3.35Å; L619-T623 VanDerWaalsContact O-N 3.16Å; L619-T623 PolarHBondContact O-OG1 3.18Å; T623-R627 WeakPolarHBondContact O-CG 3.42Å; T623-R627 PolarHBondContact O-N 3.02Å
624A81.1Confident86.1Confident34 Ų3465.8 Ų65.828%0.28135%0.354SS..Hα-helixtrans-68.6-42173.400000111.8L620 T621 E622 A626 R627L620-A624 WeakPolarHBondContact O-CB 3.38Å; L620-A624 PolarHBondContact O-N 2.94Å; L620-A624 VanDerWaalsContact O-N 3.1Å; T621-A624 PolarHBondContact O-N 2.63Å; E622-A624 VanDerWaalsContact C-N 3.33Å; A624-A626 VanDerWaalsContact C-N 3.34Å; A624-A626 PolarHBondContact O-N 3.36Å; A624-R627 PolarHBondContact O-N 2.93Å
625A75.5Confident85.2Confident59 Ų5967.1 Ų67.149%0.48836%0.362SS..Hα-helixtrans-63.2-39176.300000112.1T621 E622 R627 Q628T621-A625 PolarHBondContact O-N 3.29Å; E622-A625 PolarHBondContact O-N 3.39Å; A625-R627 PolarHBondContact O-N 3.35Å; A625-Q628 PolarHBondContact O-N 3.24Å
626A71.3Confident84.2Confident85 Ų8567.7 Ų67.770%0.70237%0.365SS*.THydrogen-bonded Turntrans-71.7-8.2177.800000114.8E622 A624E622-A626 WeakPolarHBondContact O-CB 3.19Å; E622-A626 PolarHBondContact O-N 3.01Å; A624-A626 VanDerWaalsContact C-N 3.34Å; A624-A626 PolarHBondContact O-N 3.36Å
627R62.8Low83Confident171 Ų17173.3 Ų73.365%0.64540%0.395SS*.THydrogen-bonded Turntrans-95.8-15.4174.5-72.6175.3-177.4-168.8-0.6113T623 A624 A625T623-R627 WeakPolarHBondContact O-CG 3.42Å; T623-R627 PolarHBondContact O-N 3.02Å; A624-R627 PolarHBondContact O-N 2.93Å; A625-R627 PolarHBondContact O-N 3.35Å
628Q50Low81.7Confident224 Ų22471.6 Ų71.6100%1.04740%0.4SS*.  trans-86.50171.4-64.4179.46.400108.9A625A625-Q628 PolarHBondContact O-N 3.24Å

Retrieved 628 of 628 residues in 313.4 ms (Link to these results)

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