A0A060W7A5_ONCMY Loading...

Core histone macro-H2A

Variant histone H2A which replaces conventional H2A in a subset of nucleosomes.

AlphaFold DB , UniProt , Accession A0A060W7A5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 371 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low56.6Low250 Ų250155.9 Ų155.9100%1.23286%0.863SS**  0130.50-63.4178-179.100108.4
2S47.6Very low58.7Low113 Ų113160.2 Ų160.279%0.7987%0.866SS**  trans-114.7110.1178.6-174.60000110.3R4S2-R4 PolarHBondContact O-N 2.99Å; S2-R4 VanDerWaalsContact O-N 3.07Å
3A49.1Very low60.9Low106 Ų106156.5 Ų156.588%0.87685%0.845SS**  trans-78.189.4-177.500000111.2G5A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 2.86Å
4R51Low63.1Low240 Ų240150.2 Ų150.291%0.90682%0.819SS**  trans-73.184.1167.8-79.2-176172.7173.3-1.3110.4S2 G6S2-R4 PolarHBondContact O-N 2.99Å; S2-R4 VanDerWaalsContact O-N 3.07Å; R4-G6 PolarHBondContact O-N 3.34Å; R4-G6 VanDerWaalsContact O-N 3.08Å
5G50Low64.9Low71 Ų71148.4 Ų148.473%0.73280%0.795SS**  trans-61.1106.6170.600000111.4A3 K7A3-G5 VanDerWaalsContact C-N 3.3Å; A3-G5 PolarHBondContact O-N 2.86Å; G5-K7 PolarHBondContact O-N 2.66Å; G5-K7 VanDerWaalsContact O-N 3.16Å
6G55.4Low66.8Low73 Ų73140.2 Ų140.275%0.75375%0.753SS**  trans-66.7109.8177.600000111.6R4 K8R4-G6 PolarHBondContact O-N 3.34Å; R4-G6 VanDerWaalsContact O-N 3.08Å; G6-K8 PolarHBondContact O-N 3.29Å; G6-K8 VanDerWaalsContact O-N 3.14Å
7K61.6Low68.4Low201 Ų201135.5 Ų135.587%0.87474%0.738SS**  trans-58.6117.5171.4-74.6-177.8177.2177.20109.3G5 K9G5-K7 PolarHBondContact O-N 2.66Å; G5-K7 VanDerWaalsContact O-N 3.16Å; K7-K9 PolarHBondContact O-N 3.15Å; K7-K9 VanDerWaalsContact O-N 3.17Å
8K62.8Low69.7Low198 Ų198138.8 Ų138.886%0.86174%0.738SS**  trans-50.3122170.5-85.1-177.8173.6177.10109G6 T10G6-K8 PolarHBondContact O-N 3.29Å; G6-K8 VanDerWaalsContact O-N 3.14Å; K8-T10 PolarHBondContact O-N 2.98Å
9K62.3Low70.9Confident206 Ų206133.5 Ų133.590%0.89672%0.716SS**  trans-6599.7171.7-80.3-177.9176.6175.40108.6K7 T11K7-K9 PolarHBondContact O-N 3.15Å; K7-K9 VanDerWaalsContact O-N 3.17Å; K9-T11 PolarHBondContact O-N 3.39Å
10T64.9Low72.1Confident126 Ų126130.4 Ų130.477%0.77372%0.716SS**  trans-68.5117.8169.542.50000109K8 K12K8-T10 PolarHBondContact O-N 2.98Å; T10-K12 PolarHBondContact O-N 3.14Å
11T73.1Confident73.2Confident131 Ų131125.2 Ų125.280%0.80469%0.689SS**  trans-64.8117.1176.740.60000109.1K9 L13K9-T11 PolarHBondContact O-N 3.39Å; T11-L13 PolarHBondContact O-N 3.01Å
12K81.6Confident75.6Confident207 Ų207120.5 Ų120.590%0.967%0.667SS**  trans-68103.7177.6-71.5-177178.4178.40109T10T10-K12 PolarHBondContact O-N 3.14Å
13L88Confident77.9Confident113 Ų113118.1 Ų118.159%0.59264%0.643SS**  trans-52.7138172.8-73.1164.4000110.9T11 A17 R18T11-L13 PolarHBondContact O-N 3.01Å; L13-A17 HydrophobicContact CD2-CB 4.43Å; L13-R18 HydrophobicContact CB-CG 3.78Å; L13-R18 HydrophobicContact CD1-CG 4.39Å
14S91.3Very high80.1Confident68 Ų68115 Ų11548%0.47661%0.613SS.*  trans-67.8159.7177.282.20000111.1S16 A17 R18S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.29Å; S14-A17 PolarHBondContact O-N 3.04Å; S14-A17 WeakPolarHBondContact OG-CB 3.38Å; S14-A17 PolarHBondContact OG-N 3.34Å; S14-R18 WeakPolarHBondContact O-CG 3.42Å; S14-R18 PolarHBondContact O-N 3.37Å
15R90.6Very high82.3Confident123 Ų123103.5 Ų103.546%0.46457%0.57SS.*Hα-helixtrans-63.6-34.6177.4-78.3-179.4-85.8170-6.1112.6A19 V25 M29R15-A19 VanDerWaalsContact O-CB 3.32Å; R15-A19 WeakPolarHBondContact O-CB 3.37Å; R15-A19 PolarHBondContact O-N 3.26Å; R15-V25 HydrophobicContact CB-CB 4.22Å; R15-V25 HydrophobicContact CB-CG1 4.1Å; R15-M29 PolarHBondContact NH1-SD 2.9Å
16S95.1Very high84.4Confident17 Ų17101.6 Ų101.612%0.11955%0.55CS..Hα-helixtrans-67.3-48.5173-63.90000111.6S14 R18 A19 G20 V21 F23 P24 V25S14-S16 VanDerWaalsContact C-N 3.29Å; S14-S16 PolarHBondContact O-N 3.29Å; S16-R18 VanDerWaalsContact C-N 3.29Å; S16-R18 PolarHBondContact O-N 3.44Å; S16-A19 CarbonylContact O-C 3.58Å; S16-A19 WeakPolarHBondContact O-CA 3.34Å; S16-A19 PolarHBondContact O-N 2.69Å; S16-G20 PolarHBondContact O-N 3.04Å; S16-V21 WeakPolarHBondContact CB-O 3.31Å; S16-V21 PolarHBondContact O-N 3.1Å; S16-F23 WeakPolarHBondContact CB-O 3.39Å; S16-F23 PolarHBondContact OG-O 2.97Å; S16-P24 WeakPolarHBondContact OG-CA 3.47Å; S16-V25 PolarHBondContact OG-N 3.19Å; S16-V25 VanDerWaalsContact OG-N 3.08Å
17A93.6Very high86.3Confident61 Ų61104.5 Ų104.550%0.50454%0.538SS..Hα-helixtrans-61.9-34.9178.500000112.9L13 S14 A19L13-A17 HydrophobicContact CD2-CB 4.43Å; S14-A17 PolarHBondContact O-N 3.04Å; S14-A17 WeakPolarHBondContact OG-CB 3.38Å; S14-A17 PolarHBondContact OG-N 3.34Å; A17-A19 VanDerWaalsContact C-N 3.31Å
18R92.1Very high88Confident194 Ų19496 Ų9673%0.73250%0.502SS*.Hα-helixtrans-70.6-24.5172.4-77.3-177.4163.3-164.3-6.2114.1L13 S14 S16L13-R18 HydrophobicContact CB-CG 3.78Å; L13-R18 HydrophobicContact CD1-CG 4.39Å; S14-R18 WeakPolarHBondContact O-CG 3.42Å; S14-R18 PolarHBondContact O-N 3.37Å; S16-R18 VanDerWaalsContact C-N 3.29Å; S16-R18 PolarHBondContact O-N 3.44Å
19A92.8Very high89.5Confident38 Ų3887.3 Ų87.331%0.31446%0.464SS..Hα-helixtrans-96.8-3.4-17900000113.2R15 S16 A17 V21 V25 V47R15-A19 VanDerWaalsContact O-CB 3.32Å; R15-A19 WeakPolarHBondContact O-CB 3.37Å; R15-A19 PolarHBondContact O-N 3.26Å; S16-A19 CarbonylContact O-C 3.58Å; S16-A19 WeakPolarHBondContact O-CA 3.34Å; S16-A19 PolarHBondContact O-N 2.69Å; A17-A19 VanDerWaalsContact C-N 3.31Å; A19-V21 VanDerWaalsContact C-N 3.3Å; A19-V21 HydrophobicContact CB-CG2 4.04Å; A19-V21 PolarHBondContact O-N 3.01Å; A19-V25 HydrophobicContact CB-CG2 4.37Å; A19-V47 HydrophobicContact CB-CG1 3.81Å; A19-V47 HydrophobicContact CB-CG2 4.12Å
20G94.6Very high91Very high71 Ų7184.5 Ų84.573%0.73245%0.448SS*.THydrogen-bonded Turntrans72.616.9179.700000115.1S16S16-G20 PolarHBondContact O-N 3.04Å
21V95.1Very high92.4Very high22 Ų2284.8 Ų84.813%0.13344%0.436CS..  trans-112.8144.9-177.3-650000111.5S16 A19 V25 A50 A51 E54S16-V21 WeakPolarHBondContact CB-O 3.31Å; S16-V21 PolarHBondContact O-N 3.1Å; A19-V21 VanDerWaalsContact C-N 3.3Å; A19-V21 HydrophobicContact CB-CG2 4.04Å; A19-V21 PolarHBondContact O-N 3.01Å; V21-V25 HydrophobicContact CG2-CG2 3.54Å; V21-A50 HydrophobicContact CG2-CB 4.23Å; V21-A51 HydrophobicContact CG1-CB 4.13Å; V21-E54 WeakPolarHBondContact CB-OE2 3.46Å
22I95.1Very high93.4Very high151 Ų15180.2 Ų80.277%0.77441%0.406SS*.SBendtrans-72.9-37.5172.8-61.5174.8000110.5E54I22-E54 WeakPolarHBondContact CA-OE2 3.28Å; I22-E54 VanDerWaalsContact N-CD 3.29Å; I22-E54 PolarHBondContact N-OE1 3.03Å; I22-E54 PolarHBondContact N-OE2 3.28Å
23F95.4Very high93.9Very high64 Ų6477.7 Ų77.728%0.28139%0.391SS..SBendtrans-69.5146.9-173.5-89.259.3000112.1S16 V25 M28 A50 I53 E54 A57S16-F23 WeakPolarHBondContact CB-O 3.39Å; S16-F23 PolarHBondContact OG-O 2.97Å; F23-V25 PolarHBondContact O-N 2.59Å; F23-M28 HydrophobicContact CD2-CE 3.94Å; F23-A50 HydrophobicContact CB-CB 4.17Å; F23-I53 HydrophobicContact CD2-CB 4.43Å; F23-I53 HydrophobicContact CD2-CG2 3.89Å; F23-I53 HydrophobicContact CE2-CG2 3.6Å; F23-E54 HydrophobicContact CB-CB 4.22Å; F23-E54 WeakPolarHBondContact CB-OE2 3.46Å; F23-E54 HydrophobicContact CD1-CB 3.58Å; F23-E54 HydrophobicContact CD1-CG 3.65Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.28Å; F23-E54 HydrophobicContact CE1-CB 4.1Å; F23-E54 HydrophobicContact CE1-CG 4.11Å; F23-E54 HydrophobicContact CG-CB 3.93Å; F23-E54 HydrophobicContact CG-CG 4.44Å; F23-E54 PolarHBondContact N-OE2 3.41Å; F23-A57 HydrophobicContact CE1-CB 4.23Å; F23-A57 HydrophobicContact CZ-CB 3.69Å
24P96.4Very high94.1Very high39 Ų3977.4 Ų77.425%0.25339%0.394SS..  trans-79.688.2-168.630.4-35.6000112.8S16 G26 R27 M28S16-P24 WeakPolarHBondContact OG-CA 3.47Å; P24-G26 PolarHBondContact O-N 2.81Å; P24-G26 VanDerWaalsContact O-N 3.11Å; P24-R27 HydrophobicContact CB-CB 3.84Å; P24-R27 HydrophobicContact CG-CB 3.85Å; P24-R27 WeakPolarHBondContact O-CA 3.37Å; P24-R27 VanDerWaalsContact O-CB 3.31Å; P24-R27 WeakPolarHBondContact O-CB 3.42Å; P24-R27 PolarHBondContact O-N 3.32Å; P24-M28 PolarHBondContact O-N 2.7Å
25V96.8Very high94Very high0 Ų077 Ų770%040%0.401CS..Hα-helixtrans-47.6-41.4175.3175.80000112.3R15 S16 A19 V21 F23 R27 M28 M29 P46 V47 A50R15-V25 HydrophobicContact CB-CB 4.22Å; R15-V25 HydrophobicContact CB-CG1 4.1Å; S16-V25 PolarHBondContact OG-N 3.19Å; S16-V25 VanDerWaalsContact OG-N 3.08Å; A19-V25 HydrophobicContact CB-CG2 4.37Å; V21-V25 HydrophobicContact CG2-CG2 3.54Å; F23-V25 PolarHBondContact O-N 2.59Å; V25-R27 VanDerWaalsContact C-N 3.29Å; V25-R27 PolarHBondContact O-N 2.73Å; V25-M28 PolarHBondContact O-N 3.39Å; V25-M29 PolarHBondContact O-N 3.13Å; V25-P46 HydrophobicContact CG1-CB 4.13Å; V25-P46 HydrophobicContact CG1-CG 4.34Å; V25-V47 HydrophobicContact CG1-CG2 3.72Å; V25-V47 HydrophobicContact CG2-CG2 4.33Å; V25-A50 HydrophobicContact CG2-CB 3.8Å
26G94.8Very high93.9Very high30 Ų3073.4 Ų73.431%0.30939%0.393SS..Hα-helixtrans-63.7-32.1177.500000113.8P24 R30P24-G26 PolarHBondContact O-N 2.81Å; P24-G26 VanDerWaalsContact O-N 3.11Å; G26-R30 PolarHBondContact O-N 2.89Å
27R95.6Very high93.4Very high135 Ų13579.4 Ų79.451%0.50942%0.419SS..Hα-helixtrans-76.5-42.1176.1-166.2-171.6-65163.40.2110.6P24 V25 M29 R30 Y31P24-R27 HydrophobicContact CB-CB 3.84Å; P24-R27 HydrophobicContact CG-CB 3.85Å; P24-R27 WeakPolarHBondContact O-CA 3.37Å; P24-R27 VanDerWaalsContact O-CB 3.31Å; P24-R27 WeakPolarHBondContact O-CB 3.42Å; P24-R27 PolarHBondContact O-N 3.32Å; V25-R27 VanDerWaalsContact C-N 3.29Å; V25-R27 PolarHBondContact O-N 2.73Å; R27-M29 VanDerWaalsContact C-N 3.31Å; R27-M29 PolarHBondContact O-N 2.96Å; R27-R30 WeakPolarHBondContact O-CB 3.35Å; R27-R30 PolarHBondContact O-N 3.28Å; R27-R30 VanDerWaalsContact O-N 3.1Å; R27-Y31 HydrophobicContact CG-CD2 4.14Å; R27-Y31 HydrophobicContact CG-CE2 3.53Å; R27-Y31 PolarHBondContact O-N 3.17Å
28M95.5Very high93.3Very high22 Ų2284.9 Ų84.911%0.10843%0.431CS..Hα-helixtrans-58.3-42.5173.5-59.7-47.6-17300111.5F23 P24 V25 R30 Y31 L32 P46 M49 A50 I53F23-M28 HydrophobicContact CD2-CE 3.94Å; P24-M28 PolarHBondContact O-N 2.7Å; V25-M28 PolarHBondContact O-N 3.39Å; M28-R30 VanDerWaalsContact C-N 3.28Å; M28-R30 PolarHBondContact O-N 3.36Å; M28-Y31 PolarHBondContact O-N 2.92Å; M28-Y31 HydrophobicContact SD-CD2 4.49Å; M28-L32 WeakPolarHBondContact O-CB 3.49Å; M28-L32 WeakPolarHBondContact O-CG 3.42Å; M28-L32 PolarHBondContact O-N 3.18Å; M28-P46 HydrophobicContact CB-CB 4.14Å; M28-M49 HydrophobicContact CB-CB 4.48Å; M28-A50 HydrophobicContact CG-CB 4.02Å; M28-I53 HydrophobicContact CE-CB 4.24Å; M28-I53 HydrophobicContact CE-CD1 3.66Å; M28-I53 HydrophobicContact CE-CG2 4.26Å; M28-I53 HydrophobicContact SD-CD1 4.16Å
29M94.9Very high93.2Very high15 Ų1583.9 Ų83.97%0.07443%0.428CS..Hα-helixtrans-61.2-36.2176.1-163.7-175.7-158.700113R15 V25 R27 R33 M43 P46R15-M29 PolarHBondContact NH1-SD 2.9Å; V25-M29 PolarHBondContact O-N 3.13Å; R27-M29 VanDerWaalsContact C-N 3.31Å; R27-M29 PolarHBondContact O-N 2.96Å; M29-R33 WeakPolarHBondContact O-CG 3.26Å; M29-R33 PolarHBondContact O-N 3.47Å; M29-R33 VanDerWaalsContact O-N 3.14Å; M29-M43 HydrophobicContact CE-SD 3.44Å; M29-M43 WeakPolarHBondContact CE-SD 3.34Å; M29-M43 HydrophobicContact SD-CE 4.49Å; M29-M43 HydrophobicContact SD-SD 3.96Å; M29-P46 HydrophobicContact CB-CB 3.63Å; M29-P46 HydrophobicContact CB-CG 3.9Å; M29-P46 HydrophobicContact CG-CB 4.22Å; M29-P46 HydrophobicContact CG-CG 3.98Å
30R94.7Very high93.2Very high148 Ų14894.1 Ų94.156%0.55846%0.459SS*.Hα-helixtrans-66.9-48.5175.6-173.5179.966.2178.52.7110.7G26 R27 M28 R33 T34G26-R30 PolarHBondContact O-N 2.89Å; R27-R30 WeakPolarHBondContact O-CB 3.35Å; R27-R30 PolarHBondContact O-N 3.28Å; R27-R30 VanDerWaalsContact O-N 3.1Å; M28-R30 VanDerWaalsContact C-N 3.28Å; M28-R30 PolarHBondContact O-N 3.36Å; R30-R33 PolarHBondContact O-N 3.28Å; R30-T34 PolarHBondContact O-N 3.49Å; R30-T34 PolarHBondContact O-OG1 3.43Å
31Y94.6Very high93.1Very high131 Ų13192.5 Ų92.551%0.51443%0.433SS..Hα-helixtrans-63.5-41.5179.6-65.1-38.5000112.9R27 M28 T34 G35R27-Y31 HydrophobicContact CG-CD2 4.14Å; R27-Y31 HydrophobicContact CG-CE2 3.53Å; R27-Y31 PolarHBondContact O-N 3.17Å; M28-Y31 PolarHBondContact O-N 2.92Å; M28-Y31 HydrophobicContact SD-CD2 4.49Å; Y31-T34 PolarHBondContact O-N 3Å; Y31-G35 PolarHBondContact O-N 3.28Å
32L93.5Very high93.1Very high36 Ų3693.6 Ų93.619%0.18845%0.449CS..Hα-helixtrans-56.6-51.8172-73.3171.6000110.8M28 T34 G35 T36 I41 A45 P46 M49M28-L32 WeakPolarHBondContact O-CB 3.49Å; M28-L32 WeakPolarHBondContact O-CG 3.42Å; M28-L32 PolarHBondContact O-N 3.18Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.32Å; L32-G35 PolarHBondContact O-N 3.26Å; L32-T36 PolarHBondContact O-N 3.03Å; L32-T36 PolarHBondContact O-OG1 2.85Å; L32-I41 HydrophobicContact CB-CG2 4.26Å; L32-I41 HydrophobicContact CD1-CG2 4.11Å; L32-A45 HydrophobicContact CD1-CB 4.08Å; L32-P46 HydrophobicContact CD1-CB 4.11Å; L32-M49 HydrophobicContact CD1-CG 4.1Å; L32-M49 HydrophobicContact CD2-CG 4.22Å
33R91.9Very high92.8Very high154 Ų15491.1 Ų91.158%0.58144%0.435SS*.Hα-helixtrans-57.9-35.9178.3-75.2176.4175.3-162.2-2.9113.7M29 R30M29-R33 WeakPolarHBondContact O-CG 3.26Å; M29-R33 PolarHBondContact O-N 3.47Å; M29-R33 VanDerWaalsContact O-N 3.14Å; R30-R33 PolarHBondContact O-N 3.28Å
34T92.8Very high92.7Very high106 Ų10690.6 Ų90.665%0.6545%0.448SS*.Hα-helixtrans-70.6-47.5175.7-570000111.9R30 Y31 L32R30-T34 PolarHBondContact O-N 3.49Å; R30-T34 PolarHBondContact O-OG1 3.43Å; Y31-T34 PolarHBondContact O-N 3Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.32Å
35G88.1Confident92.7Very high60 Ų6090.6 Ų90.662%0.61945%0.451SS*.Hα-helixtrans-74.9-31.4-176.800000114.5Y31 L32Y31-G35 PolarHBondContact O-N 3.28Å; L32-G35 PolarHBondContact O-N 3.26Å
36T89.4Confident92.7Very high47 Ų4790.6 Ų90.629%0.28845%0.451SS..THydrogen-bonded Turntrans-123.645.5-17169.20000111.9L32 K38 Y39 I41L32-T36 PolarHBondContact O-N 3.03Å; L32-T36 PolarHBondContact O-OG1 2.85Å; T36-K38 PolarHBondContact O-N 3.47Å; T36-Y39 PolarHBondContact O-N 2.92Å; T36-I41 VanDerWaalsContact OG1-CD1 3.3Å; T36-I41 WeakPolarHBondContact OG1-CD1 3.48Å
37H83.9Confident92.8Very high144 Ų14491.4 Ų91.467%0.66745%0.45SS*.THydrogen-bonded Turntrans-52.4-24.5-176.858.8-89.2000115Y39H37-Y39 VanDerWaalsContact C-N 3.32Å; H37-Y39 PolarHBondContact O-N 2.85Å
38K91Very high92.8Very high175 Ų17592.6 Ų92.676%0.76146%0.456SS*.THydrogen-bonded Turntrans-75.5-13.5177.6-55.4-173.3-179.3-179.70114.3T36T36-K38 PolarHBondContact O-N 3.47Å
39Y90.5Very high92.8Very high173 Ų17394.9 Ų94.968%0.67847%0.467SS*.SBendtrans-115.6142.4-171.7-63.5-81.2000112.8T36 H37 I41T36-Y39 PolarHBondContact O-N 2.92Å; H37-Y39 VanDerWaalsContact C-N 3.32Å; H37-Y39 PolarHBondContact O-N 2.85Å; Y39-I41 PolarHBondContact O-N 3.25Å
40R92.9Very high92.9Very high254 Ų25494.2 Ų94.296%0.95846%0.463SS*.  trans-78.9105.7173.5-173.9174.7-178.7159.9-0.3110.4G42R40-G42 PolarHBondContact O-N 3.24Å
41I93.1Very high93Very high36 Ų3689.1 Ų89.119%0.18545%0.453CS..  trans-83109.7-176-51-52.9000111.7L32 T36 Y39 A45L32-I41 HydrophobicContact CB-CG2 4.26Å; L32-I41 HydrophobicContact CD1-CG2 4.11Å; T36-I41 VanDerWaalsContact OG1-CD1 3.3Å; T36-I41 WeakPolarHBondContact OG1-CD1 3.48Å; Y39-I41 PolarHBondContact O-N 3.25Å; I41-A45 HydrophobicContact CG2-CB 3.97Å
42G93.9Very high93Very high46 Ų4685.2 Ų85.247%0.47444%0.443SS..  trans-69.6161.8171.600000113.1R40 G44 A45 P46R40-G42 PolarHBondContact O-N 3.24Å; G42-G44 VanDerWaalsContact C-N 3.29Å; G42-G44 PolarHBondContact O-N 3.27Å; G42-A45 PolarHBondContact O-N 2.89Å; G42-P46 WeakPolarHBondContact O-CD 3.28Å
43M89.2Confident93.1Very high99 Ų9986.4 Ų86.449%0.48845%0.449SS..SBendtrans-68.4-21.4-175.1-76.2-57.6-49.300114.7M29 P46M29-M43 HydrophobicContact CE-SD 3.44Å; M29-M43 WeakPolarHBondContact CE-SD 3.34Å; M29-M43 HydrophobicContact SD-CE 4.49Å; M29-M43 HydrophobicContact SD-SD 3.96Å; M43-P46 WeakPolarHBondContact O-CD 3.4Å; M43-P46 WeakPolarHBondContact O-CG 3.29Å
44G94.4Very high93.3Very high52 Ų5280.9 Ų80.954%0.53643%0.429SS..Hα-helixtrans-70.9-37.5176.200000113.6G42 V47 Y48G42-G44 VanDerWaalsContact C-N 3.29Å; G42-G44 PolarHBondContact O-N 3.27Å; G44-V47 WeakPolarHBondContact O-CB 3.04Å; G44-V47 PolarHBondContact O-N 3.23Å; G44-Y48 PolarHBondContact O-N 2.86Å
45A95.4Very high93.3Very high40 Ų4082.6 Ų82.633%0.33143%0.425SS..Hα-helixtrans-54.9-49.3-178.300000114.5L32 I41 G42 V47 Y48 M49L32-A45 HydrophobicContact CD1-CB 4.08Å; I41-A45 HydrophobicContact CG2-CB 3.97Å; G42-A45 PolarHBondContact O-N 2.89Å; A45-V47 VanDerWaalsContact C-N 3.27Å; A45-V47 PolarHBondContact O-N 3.07Å; A45-Y48 PolarHBondContact O-N 3.41Å; A45-M49 WeakPolarHBondContact O-CB 3.4Å; A45-M49 WeakPolarHBondContact O-CG 3.3Å; A45-M49 PolarHBondContact O-N 3.4Å
46P96.4Very high93.7Very high0 Ų082.4 Ų82.40%041%0.41CS..Hα-helixtrans-71.5-18.3176.829.8-38000114.4V25 M28 M29 L32 G42 M43 A50V25-P46 HydrophobicContact CG1-CB 4.13Å; V25-P46 HydrophobicContact CG1-CG 4.34Å; M28-P46 HydrophobicContact CB-CB 4.14Å; M29-P46 HydrophobicContact CB-CB 3.63Å; M29-P46 HydrophobicContact CB-CG 3.9Å; M29-P46 HydrophobicContact CG-CB 4.22Å; M29-P46 HydrophobicContact CG-CG 3.98Å; L32-P46 HydrophobicContact CD1-CB 4.11Å; G42-P46 WeakPolarHBondContact O-CD 3.28Å; M43-P46 WeakPolarHBondContact O-CD 3.4Å; M43-P46 WeakPolarHBondContact O-CG 3.29Å; P46-A50 WeakPolarHBondContact O-CB 3.34Å; P46-A50 PolarHBondContact O-N 3.33Å
47V96.6Very high94Very high46 Ų4681.5 Ų81.528%0.27941%0.407SS..Hα-helixtrans-76.2-49.6172.21730000109.3A19 V25 G44 A45 M49 A50 A51A19-V47 HydrophobicContact CB-CG1 3.81Å; A19-V47 HydrophobicContact CB-CG2 4.12Å; V25-V47 HydrophobicContact CG1-CG2 3.72Å; V25-V47 HydrophobicContact CG2-CG2 4.33Å; G44-V47 WeakPolarHBondContact O-CB 3.04Å; G44-V47 PolarHBondContact O-N 3.23Å; A45-V47 VanDerWaalsContact C-N 3.27Å; A45-V47 PolarHBondContact O-N 3.07Å; V47-M49 PolarHBondContact O-N 3.45Å; V47-A50 WeakPolarHBondContact O-CB 3.33Å; V47-A50 PolarHBondContact O-N 2.77Å; V47-A50 VanDerWaalsContact O-N 3.13Å; V47-A51 PolarHBondContact O-N 2.85Å
48Y96.8Very high94.5Very high161 Ų16177.2 Ų77.263%0.63140%0.396SS*.Hα-helixtrans-56.3-49.7175.2-179.3-99.7000111.8G44 A45 A50 A51 V52G44-Y48 PolarHBondContact O-N 2.86Å; A45-Y48 PolarHBondContact O-N 3.41Å; Y48-A50 VanDerWaalsContact C-N 3.29Å; Y48-A50 PolarHBondContact O-N 3.41Å; Y48-A51 PolarHBondContact O-N 2.94Å; Y48-V52 HydrophobicContact CD1-CG2 4.22Å; Y48-V52 HydrophobicContact CD2-CG2 4.34Å; Y48-V52 HydrophobicContact CE1-CG2 3.82Å; Y48-V52 HydrophobicContact CE2-CG2 3.95Å; Y48-V52 HydrophobicContact CG-CG2 4.47Å; Y48-V52 WeakPolarHBondContact O-CG2 3.45Å; Y48-V52 PolarHBondContact O-N 3.02Å
49M95.7Very high94.6Very high70 Ų7070.8 Ų70.835%0.34537%0.369SS..Hα-helixtrans-62.4-33.1176.7-69.2-56.4-57.700113.3M28 L32 A45 V47 I53M28-M49 HydrophobicContact CB-CB 4.48Å; L32-M49 HydrophobicContact CD1-CG 4.1Å; L32-M49 HydrophobicContact CD2-CG 4.22Å; A45-M49 WeakPolarHBondContact O-CB 3.4Å; A45-M49 WeakPolarHBondContact O-CG 3.3Å; A45-M49 PolarHBondContact O-N 3.4Å; V47-M49 PolarHBondContact O-N 3.45Å; M49-I53 HydrophobicContact CE-CD1 4.21Å; M49-I53 WeakPolarHBondContact O-CB 3.03Å; M49-I53 WeakPolarHBondContact O-CD1 3.07Å; M49-I53 VanDerWaalsContact O-CG1 3.22Å; M49-I53 WeakPolarHBondContact O-CG1 3.45Å; M49-I53 PolarHBondContact O-N 3.27Å
50A96.8Very high94.8Very high0 Ų064.2 Ų64.20%035%0.345CS..Hα-helixtrans-68.6-46.1174.400000111V21 F23 V25 M28 P46 V47 Y48 I53 E54V21-A50 HydrophobicContact CG2-CB 4.23Å; F23-A50 HydrophobicContact CB-CB 4.17Å; V25-A50 HydrophobicContact CG2-CB 3.8Å; M28-A50 HydrophobicContact CG-CB 4.02Å; P46-A50 WeakPolarHBondContact O-CB 3.34Å; P46-A50 PolarHBondContact O-N 3.33Å; V47-A50 WeakPolarHBondContact O-CB 3.33Å; V47-A50 PolarHBondContact O-N 2.77Å; V47-A50 VanDerWaalsContact O-N 3.13Å; Y48-A50 VanDerWaalsContact C-N 3.29Å; Y48-A50 PolarHBondContact O-N 3.41Å; A50-I53 PolarHBondContact O-N 2.89Å; A50-E54 WeakPolarHBondContact O-CB 3.49Å; A50-E54 PolarHBondContact O-N 2.86Å
51A95.6Very high95Very high41 Ų4156.7 Ų56.734%0.33932%0.324SS..Hα-helixtrans-62.9-44.8179.300000112.8V21 V47 Y48 E54 Y55V21-A51 HydrophobicContact CG1-CB 4.13Å; V47-A51 PolarHBondContact O-N 2.85Å; Y48-A51 PolarHBondContact O-N 2.94Å; A51-E54 PolarHBondContact O-N 3.42Å; A51-Y55 WeakPolarHBondContact O-CB 3.38Å; A51-Y55 PolarHBondContact O-N 2.84Å
52V96Very high95.1Very high49 Ų4960 Ų6030%0.29734%0.338SS..Hα-helixtrans-64.4-43178.5172.40000111.7Y48 E54 Y55 L56Y48-V52 HydrophobicContact CD1-CG2 4.22Å; Y48-V52 HydrophobicContact CD2-CG2 4.34Å; Y48-V52 HydrophobicContact CE1-CG2 3.82Å; Y48-V52 HydrophobicContact CE2-CG2 3.95Å; Y48-V52 HydrophobicContact CG-CG2 4.47Å; Y48-V52 WeakPolarHBondContact O-CG2 3.45Å; Y48-V52 PolarHBondContact O-N 3.02Å; V52-E54 VanDerWaalsContact C-N 3.35Å; V52-Y55 PolarHBondContact O-N 2.83Å; V52-L56 HydrophobicContact CG1-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.42Å; V52-L56 PolarHBondContact O-N 2.83Å
53I95.1Very high95.1Very high61 Ų6160 Ų6031%0.31333%0.327SS..Hα-helixtrans-71-33.8178.7-64.5170.6000110.9F23 M28 M49 A50 A57F23-I53 HydrophobicContact CD2-CB 4.43Å; F23-I53 HydrophobicContact CD2-CG2 3.89Å; F23-I53 HydrophobicContact CE2-CG2 3.6Å; M28-I53 HydrophobicContact CE-CB 4.24Å; M28-I53 HydrophobicContact CE-CD1 3.66Å; M28-I53 HydrophobicContact CE-CG2 4.26Å; M28-I53 HydrophobicContact SD-CD1 4.16Å; M49-I53 HydrophobicContact CE-CD1 4.21Å; M49-I53 WeakPolarHBondContact O-CB 3.03Å; M49-I53 WeakPolarHBondContact O-CD1 3.07Å; M49-I53 VanDerWaalsContact O-CG1 3.22Å; M49-I53 WeakPolarHBondContact O-CG1 3.45Å; M49-I53 PolarHBondContact O-N 3.27Å; A50-I53 PolarHBondContact O-N 2.89Å; I53-A57 WeakPolarHBondContact O-CB 3.46Å; I53-A57 PolarHBondContact O-N 3.27Å
54E95.6Very high95.4Very high38 Ų3855.3 Ų55.318%0.17830%0.304CS..Hα-helixtrans-65-44.7173.8-175.8161.6149.300112V21 I22 F23 A50 A51 V52 A57 A58V21-E54 WeakPolarHBondContact CB-OE2 3.46Å; I22-E54 WeakPolarHBondContact CA-OE2 3.28Å; I22-E54 VanDerWaalsContact N-CD 3.29Å; I22-E54 PolarHBondContact N-OE1 3.03Å; I22-E54 PolarHBondContact N-OE2 3.28Å; F23-E54 HydrophobicContact CB-CB 4.22Å; F23-E54 WeakPolarHBondContact CB-OE2 3.46Å; F23-E54 HydrophobicContact CD1-CB 3.58Å; F23-E54 HydrophobicContact CD1-CG 3.65Å; F23-E54 WeakPolarHBondContact CD1-OE2 3.28Å; F23-E54 HydrophobicContact CE1-CB 4.1Å; F23-E54 HydrophobicContact CE1-CG 4.11Å; F23-E54 HydrophobicContact CG-CB 3.93Å; F23-E54 HydrophobicContact CG-CG 4.44Å; F23-E54 PolarHBondContact N-OE2 3.41Å; A50-E54 WeakPolarHBondContact O-CB 3.49Å; A50-E54 PolarHBondContact O-N 2.86Å; A51-E54 PolarHBondContact O-N 3.42Å; V52-E54 VanDerWaalsContact C-N 3.35Å; E54-A57 PolarHBondContact O-N 2.87Å; E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3Å
55Y93.9Very high95.5Very high143 Ų14353.9 Ų53.956%0.56129%0.289SS*.Hα-helixtrans-57.3-54.9173.5178.7-93.5000111.5A51 V52 A57 A58 E59A51-Y55 WeakPolarHBondContact O-CB 3.38Å; A51-Y55 PolarHBondContact O-N 2.84Å; V52-Y55 PolarHBondContact O-N 2.83Å; Y55-A57 VanDerWaalsContact C-N 3.26Å; Y55-A57 PolarHBondContact O-N 2.84Å; Y55-A58 WeakPolarHBondContact O-CB 3.29Å; Y55-A58 PolarHBondContact O-N 3.44Å; Y55-A58 VanDerWaalsContact O-N 3.12Å; Y55-E59 PolarHBondContact O-N 3.34Å
56L94.5Very high95.2Very high56 Ų5654.9 Ų54.929%0.29329%0.289SS..Hα-helixtrans-60.4-35.1178.8-69.3171.4000112.8V52 I60 L94V52-L56 HydrophobicContact CG1-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.42Å; V52-L56 PolarHBondContact O-N 2.83Å; L56-I60 WeakPolarHBondContact O-CB 3.32Å; L56-I60 WeakPolarHBondContact O-CD1 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.07Å; L56-L94 HydrophobicContact CD1-CD2 4.44Å; L56-L94 HydrophobicContact CD2-CD2 3.91Å
57A96.1Very high94.9Very high28 Ų2855.5 Ų55.523%0.23129%0.294CS..Hα-helixtrans-72.4-37.3176.600000112.4F23 I53 E54 Y55 L61F23-A57 HydrophobicContact CE1-CB 4.23Å; F23-A57 HydrophobicContact CZ-CB 3.69Å; I53-A57 WeakPolarHBondContact O-CB 3.46Å; I53-A57 PolarHBondContact O-N 3.27Å; E54-A57 PolarHBondContact O-N 2.87Å; Y55-A57 VanDerWaalsContact C-N 3.26Å; Y55-A57 PolarHBondContact O-N 2.84Å; A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 WeakPolarHBondContact O-CD1 3.36Å; A57-L61 WeakPolarHBondContact O-CG 3.4Å; A57-L61 PolarHBondContact O-N 3.19Å; A57-L61 VanDerWaalsContact O-N 3.14Å
58A94.8Very high94.9Very high54 Ų5453.5 Ų53.545%0.44628%0.283SS..Hα-helixtrans-63-50.2174.500000110.6E54 Y55 I60 L61 E62E54-A58 WeakPolarHBondContact O-CB 3.48Å; E54-A58 PolarHBondContact O-N 3Å; Y55-A58 WeakPolarHBondContact O-CB 3.29Å; Y55-A58 PolarHBondContact O-N 3.44Å; Y55-A58 VanDerWaalsContact O-N 3.12Å; A58-I60 PolarHBondContact O-N 3.49Å; A58-L61 CarbonylContact O-C 3.49Å; A58-L61 PolarHBondContact O-N 2.95Å; A58-L61 VanDerWaalsContact O-N 3.08Å; A58-E62 PolarHBondContact O-N 3.39Å
59E92.8Very high94.7Very high40 Ų4054.6 Ų54.619%0.18729%0.285CS..Hα-helixtrans-55.4-53.1179.8-166.255.7-116.500112.2Y55 L61 E62 L63 L91Y55-E59 PolarHBondContact O-N 3.34Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.45Å; E59-E62 PolarHBondContact O-N 2.91Å; E59-L63 HydrophobicContact CG-CD1 4.33Å; E59-L63 WeakPolarHBondContact O-CG 3.21Å; E59-L63 PolarHBondContact O-N 2.81Å; E59-L91 HydrophobicContact CG-CD1 4.36Å
60I96.1Very high94.3Very high35 Ų3557.1 Ų57.118%0.17930%0.301CS..Hα-helixtrans-60.3-36.6178-68.2168.1000111.4L56 A58 A64 I81 V85 L91 L95L56-I60 WeakPolarHBondContact O-CB 3.32Å; L56-I60 WeakPolarHBondContact O-CD1 3.27Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.38Å; L56-I60 PolarHBondContact O-N 3.07Å; A58-I60 PolarHBondContact O-N 3.49Å; I60-A64 WeakPolarHBondContact O-CB 3.1Å; I60-A64 PolarHBondContact O-N 3.07Å; I60-I81 HydrophobicContact CG2-CG2 3.84Å; I60-V85 HydrophobicContact CG1-CG2 4.49Å; I60-V85 HydrophobicContact CG2-CG2 4.41Å; I60-L91 HydrophobicContact CD1-CD2 4.19Å; I60-L91 HydrophobicContact CG1-CD1 3.89Å; I60-L91 HydrophobicContact CG1-CD2 3.85Å; I60-L95 HydrophobicContact CD1-CD1 4.14Å
61L96.8Very high93.9Very high96 Ų9660.8 Ų60.850%0.50332%0.32SS..Hα-helixtrans-76.1-33.1179.6-74.8173000113A57 A58 E59 G65 I76A57-L61 VanDerWaalsContact O-CB 3.3Å; A57-L61 WeakPolarHBondContact O-CB 3.48Å; A57-L61 WeakPolarHBondContact O-CD1 3.36Å; A57-L61 WeakPolarHBondContact O-CG 3.4Å; A57-L61 PolarHBondContact O-N 3.19Å; A57-L61 VanDerWaalsContact O-N 3.14Å; A58-L61 CarbonylContact O-C 3.49Å; A58-L61 PolarHBondContact O-N 2.95Å; A58-L61 VanDerWaalsContact O-N 3.08Å; E59-L61 VanDerWaalsContact C-N 3.26Å; E59-L61 PolarHBondContact O-N 3.45Å; L61-G65 PolarHBondContact O-N 3.43Å; L61-I76 HydrophobicContact CD2-CD1 4.22Å
62E93.5Very high93.8Very high104 Ų10468.1 Ų68.149%0.48634%0.344SS..Hα-helixtrans-67.8-54.3176179.2159.9173.300110.8A58 E59 A64 G65 N66A58-E62 PolarHBondContact O-N 3.39Å; E59-E62 PolarHBondContact O-N 2.91Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.36Å; E62-G65 CarbonylContact O-C 3.29Å; E62-G65 WeakPolarHBondContact O-CA 3.38Å; E62-G65 PolarHBondContact O-N 3.34Å; E62-N66 PolarHBondContact O-N 3.23Å; E62-N66 PolarHBondContact O-ND2 2.87Å
63L94.1Very high93.7Very high47 Ų4771.8 Ų71.825%0.24636%0.356CS..Hα-helixtrans-59.8-39.6176.3-63.6175.2000111.8E59 G65 N66 A67 A84 D88 L91E59-L63 HydrophobicContact CG-CD1 4.33Å; E59-L63 WeakPolarHBondContact O-CG 3.21Å; E59-L63 PolarHBondContact O-N 2.81Å; L63-G65 VanDerWaalsContact C-N 3.33Å; L63-N66 PolarHBondContact O-N 3.1Å; L63-A67 WeakPolarHBondContact O-CB 3.23Å; L63-A67 PolarHBondContact O-N 3.37Å; L63-A84 HydrophobicContact CB-CB 3.63Å; L63-D88 HydrophobicContact CD1-CB 4.12Å; L63-L91 HydrophobicContact CD1-CD1 3.66Å
64A96.5Very high93.5Very high0 Ų073.6 Ų73.60%039%0.39CS..Hα-helixtrans-71.6-26.2174.400000113.1I60 E62 A68 I76 H80 I81 A84I60-A64 WeakPolarHBondContact O-CB 3.1Å; I60-A64 PolarHBondContact O-N 3.07Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 3.36Å; A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.44Å; A64-I76 HydrophobicContact CB-CG2 3.84Å; A64-H80 HydrophobicContact CB-CB 4.34Å; A64-H80 WeakPolarHBondContact O-CB 3.45Å; A64-I81 HydrophobicContact CB-CG1 3.97Å; A64-A84 HydrophobicContact CB-CB 4.09Å
65G96.4Very high93.6Very high22 Ų2281.3 Ų81.323%0.22742%0.417CS..Hα-helixtrans-68.3-43.4171.400000111.9L61 E62 L63 A68 R69L61-G65 PolarHBondContact O-N 3.43Å; E62-G65 CarbonylContact O-C 3.29Å; E62-G65 WeakPolarHBondContact O-CA 3.38Å; E62-G65 PolarHBondContact O-N 3.34Å; L63-G65 VanDerWaalsContact C-N 3.33Å; G65-A68 WeakPolarHBondContact O-CB 3.34Å; G65-A68 PolarHBondContact O-N 2.9Å; G65-R69 PolarHBondContact O-N 2.97Å
66N89.9Confident93.7Very high62 Ų6277.6 Ų77.633%0.33241%0.407SS..Hα-helixtrans-61.8-51.4173.1-67.2-28.2000110.6E62 L63 A68 R69 D70E62-N66 PolarHBondContact O-N 3.23Å; E62-N66 PolarHBondContact O-ND2 2.87Å; L63-N66 PolarHBondContact O-N 3.1Å; N66-A68 PolarHBondContact O-N 3.41Å; N66-A68 VanDerWaalsContact O-N 3.16Å; N66-R69 WeakPolarHBondContact O-CA 3.43Å; N66-R69 WeakPolarHBondContact O-CB 3.45Å; N66-R69 PolarHBondContact O-N 3.16Å; N66-D70 PolarHBondContact O-N 2.97Å
67A90.3Very high93.8Very high13 Ų1377.4 Ų77.411%0.10741%0.408CS..Hα-helixtrans-59.4-29.4175.100000113.6L63 N71 H80 L83L63-A67 WeakPolarHBondContact O-CB 3.23Å; L63-A67 PolarHBondContact O-N 3.37Å; A67-N71 WeakPolarHBondContact O-CB 3.38Å; A67-N71 PolarHBondContact O-N 3.31Å; A67-N71 PolarHBondContact O-ND2 2.96Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A67-L83 HydrophobicContact CB-CB 4.35Å
68A95.6Very high93.9Very high4 Ų478.5 Ų78.53%0.03341%0.413CS..Hα-helixtrans-71.1-42.7172.600000112.1A64 G65 N66 N71 K72 K73 I76 H80A64-A68 WeakPolarHBondContact O-CB 3.39Å; A64-A68 PolarHBondContact O-N 3.44Å; G65-A68 WeakPolarHBondContact O-CB 3.34Å; G65-A68 PolarHBondContact O-N 2.9Å; N66-A68 PolarHBondContact O-N 3.41Å; N66-A68 VanDerWaalsContact O-N 3.16Å; A68-N71 CarbonylContact O-C 3.59Å; A68-N71 PolarHBondContact O-N 2.95Å; A68-K72 PolarHBondContact O-N 3.41Å; A68-K73 CarbonylContact C-O 3.56Å; A68-K73 PolarHBondContact O-N 3.46Å; A68-I76 HydrophobicContact CB-CG1 4.26Å; A68-H80 HydrophobicContact CB-CB 4.37Å; A68-H80 VanDerWaalsContact CB-ND1 3.26Å; A68-H80 WeakPolarHBondContact CB-ND1 3.44Å
69R92.8Very high93.9Very high183 Ų18379.3 Ų79.369%0.69140%0.404SS*.Hα-helixtrans-62.6-45.2178.6-170.5-177.8-64.2169.33.5111.5G65 N66 N71 K72G65-R69 PolarHBondContact O-N 2.97Å; N66-R69 WeakPolarHBondContact O-CA 3.43Å; N66-R69 WeakPolarHBondContact O-CB 3.45Å; N66-R69 PolarHBondContact O-N 3.16Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 2.99Å; R69-K72 WeakPolarHBondContact O-CA 3.36Å; R69-K72 PolarHBondContact O-N 3.5Å
70D87.3Confident94.1Very high124 Ų12477.8 Ų77.866%0.66340%0.397SS*.Hα-helixtrans-62.4-39.4178-62.8-25.1000112N66 K72N66-D70 PolarHBondContact O-N 2.97Å; D70-K72 PolarHBondContact O-N 3.37Å
71N88.6Confident94.1Very high77 Ų7778.5 Ų78.541%0.41240%0.401SS..THydrogen-bonded Turntrans-75.26.4172.6-72.6-52.8000113.8A67 A68 R69 K73A67-N71 WeakPolarHBondContact O-CB 3.38Å; A67-N71 PolarHBondContact O-N 3.31Å; A67-N71 PolarHBondContact O-ND2 2.96Å; A68-N71 CarbonylContact O-C 3.59Å; A68-N71 PolarHBondContact O-N 2.95Å; R69-N71 VanDerWaalsContact C-N 3.32Å; R69-N71 PolarHBondContact O-N 2.99Å; N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 HydrophobicContact CB-CG 4.31Å; N71-K73 PolarHBondContact O-N 3.22Å
72K93.7Very high93.9Very high194 Ų19476.3 Ų76.384%0.84339%0.387SS*.THydrogen-bonded Turntrans55.140.9-178.5-55.6-179.7-178.6-1790112.7A68 R69 D70A68-K72 PolarHBondContact O-N 3.41Å; R69-K72 WeakPolarHBondContact O-CA 3.36Å; R69-K72 PolarHBondContact O-N 3.5Å; D70-K72 PolarHBondContact O-N 3.37Å
73K93.6Very high93.9Very high127 Ų12772.2 Ų72.255%0.55237%0.369SS*.  trans-116.5124.9177.8-59.5-56.2-179.9-177.20111A68 N71 R75A68-K73 CarbonylContact C-O 3.56Å; A68-K73 PolarHBondContact O-N 3.46Å; N71-K73 VanDerWaalsContact C-N 3.3Å; N71-K73 HydrophobicContact CB-CG 4.31Å; N71-K73 PolarHBondContact O-N 3.22Å; K73-R75 PolarHBondContact O-N 3.23Å
74G91.4Very high93.9Very high99 Ų9970.3 Ų70.3100%1.02136%0.36SS*.SBendtrans-761017200000115.2
75R96.9Very high93.7Very high199 Ų19970.5 Ų70.575%0.75136%0.36SS*.SBendtrans-135.7128.4-179.7-174.6-179.6-69.1-172.80.1110.1K73 H80K73-R75 PolarHBondContact O-N 3.23Å; R75-H80 PolarHBondContact O-CE1 3.2Å; R75-H80 VanDerWaalsContact O-CE1 3.3Å; R75-H80 PolarHBondContact O-ND1 2.77Å
76I96.9Very high93.4Very high66 Ų6670.2 Ų70.234%0.33836%0.356SS..  trans-67.2133.2169.4-60.6177000108.5L61 A64 A68 H80 I81L61-I76 HydrophobicContact CD2-CD1 4.22Å; A64-I76 HydrophobicContact CB-CG2 3.84Å; A68-I76 HydrophobicContact CB-CG1 4.26Å; I76-H80 HydrophobicContact CG2-CB 4.41Å; I76-I81 HydrophobicContact CG2-CD1 4.41Å; I76-I81 HydrophobicContact CG2-CG1 3.97Å
77T96.4Very high93.1Very high51 Ų5173.5 Ų73.531%0.31337%0.374SS..  trans-126.6163.5178.765.70000109R79 H80 I81T77-R79 PolarHBondContact O-N 3.12Å; T77-R79 VanDerWaalsContact O-N 3.08Å; T77-H80 PolarHBondContact N-ND1 2.68Å; T77-H80 PolarHBondContact O-N 3.25Å; T77-H80 PolarHBondContact OG1-CE1 2.95Å; T77-H80 PolarHBondContact OG1-ND1 3.09Å; T77-I81 PolarHBondContact O-N 2.74Å
78P97Very high93.2Very high52 Ų5275.5 Ų75.534%0.33838%0.383SS..Hα-helixtrans-56.1-27.1176-26.235.8000113.4I81 K82 I100 S101 N102P78-I81 PolarHBondContact O-N 3.01Å; P78-K82 WeakPolarHBondContact O-CB 3.11Å; P78-K82 PolarHBondContact O-N 3.33Å; P78-I100 HydrophobicContact CB-CG2 4.17Å; P78-S101 WeakPolarHBondContact CB-O 3.43Å; P78-N102 HydrophobicContact CB-CB 4.17Å; P78-N102 HydrophobicContact CG-CB 4.26Å
79R94.9Very high92.8Very high71 Ų7183.3 Ų83.327%0.26842%0.419SS..Hα-helixtrans-58.3-48.2169.9178.356.2173.5-177.7-1.1112.3T77 I81 K82 L83 G103 V105T77-R79 PolarHBondContact O-N 3.12Å; T77-R79 VanDerWaalsContact O-N 3.08Å; R79-I81 VanDerWaalsContact C-N 3.35Å; R79-K82 PolarHBondContact O-N 3.37Å; R79-L83 HydrophobicContact CG-CD1 4.3Å; R79-L83 WeakPolarHBondContact O-CG 3.49Å; R79-L83 PolarHBondContact O-N 3.35Å; R79-G103 WeakPolarHBondContact CD-O 3.5Å; R79-G103 PolarHBondContact NH1-O 3.23Å; R79-V105 VanDerWaalsContact CZ-O 3.23Å; R79-V105 PolarHBondContact NH1-O 3.32Å; R79-V105 PolarHBondContact NH2-O 2.82Å
80H96.4Very high92.7Very high7 Ų782.3 Ų82.33%0.03242%0.422CS..Hα-helixtrans-67.5-37.7-178.6-51.7147.8000111.2A64 A67 A68 R75 I76 T77 L83 A84A64-H80 HydrophobicContact CB-CB 4.34Å; A64-H80 WeakPolarHBondContact O-CB 3.45Å; A67-H80 HydrophobicContact CB-CB 4.2Å; A68-H80 HydrophobicContact CB-CB 4.37Å; A68-H80 VanDerWaalsContact CB-ND1 3.26Å; A68-H80 WeakPolarHBondContact CB-ND1 3.44Å; R75-H80 PolarHBondContact O-CE1 3.2Å; R75-H80 VanDerWaalsContact O-CE1 3.3Å; R75-H80 PolarHBondContact O-ND1 2.77Å; I76-H80 HydrophobicContact CG2-CB 4.41Å; T77-H80 PolarHBondContact N-ND1 2.68Å; T77-H80 PolarHBondContact O-N 3.25Å; T77-H80 PolarHBondContact OG1-CE1 2.95Å; T77-H80 PolarHBondContact OG1-ND1 3.09Å; H80-L83 PolarHBondContact O-N 3.32Å; H80-A84 WeakPolarHBondContact O-CB 3.45Å; H80-A84 PolarHBondContact O-N 3.12Å
81I96.3Very high93Very high50 Ų5076.7 Ų76.726%0.25639%0.392SS..Hα-helixtrans-62.8-43.8172.6-55.6174.5000110.7I60 A64 I76 T77 P78 R79 L83 A84 V85 I100I60-I81 HydrophobicContact CG2-CG2 3.84Å; A64-I81 HydrophobicContact CB-CG1 3.97Å; I76-I81 HydrophobicContact CG2-CD1 4.41Å; I76-I81 HydrophobicContact CG2-CG1 3.97Å; T77-I81 PolarHBondContact O-N 2.74Å; P78-I81 PolarHBondContact O-N 3.01Å; R79-I81 VanDerWaalsContact C-N 3.35Å; I81-L83 VanDerWaalsContact C-N 3.35Å; I81-L83 PolarHBondContact O-N 2.78Å; I81-A84 PolarHBondContact O-N 2.79Å; I81-V85 HydrophobicContact CG2-CG2 4.27Å; I81-V85 WeakPolarHBondContact O-CB 3.04Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 2.84Å; I81-I100 HydrophobicContact CG2-CD1 4.09Å
82K94.1Very high93.1Very high51 Ų5176.1 Ų76.122%0.22239%0.388CS..Hα-helixtrans-66.9-33.5178.1-176.757-178.7172.30113.1P78 R79 A86 I100P78-K82 WeakPolarHBondContact O-CB 3.11Å; P78-K82 PolarHBondContact O-N 3.33Å; R79-K82 PolarHBondContact O-N 3.37Å; K82-A86 WeakPolarHBondContact O-CB 3.43Å; K82-A86 PolarHBondContact O-N 2.65Å; K82-I100 HydrophobicContact CB-CB 4.39Å; K82-I100 HydrophobicContact CB-CD1 4.23Å; K82-I100 HydrophobicContact CB-CG2 4.3Å; K82-I100 HydrophobicContact CD-CB 4.32Å; K82-I100 HydrophobicContact CD-CD1 3.93Å
83L92Very high93Very high18 Ų1872 Ų729%0.09437%0.372CS..Hα-helixtrans-70-47.1173.4-68.7174.7000111.2A67 R79 H80 I81 A86 N87 L106 P107A67-L83 HydrophobicContact CB-CB 4.35Å; R79-L83 HydrophobicContact CG-CD1 4.3Å; R79-L83 WeakPolarHBondContact O-CG 3.49Å; R79-L83 PolarHBondContact O-N 3.35Å; H80-L83 PolarHBondContact O-N 3.32Å; I81-L83 VanDerWaalsContact C-N 3.35Å; I81-L83 PolarHBondContact O-N 2.78Å; L83-A86 PolarHBondContact O-N 3.47Å; L83-N87 WeakPolarHBondContact O-CB 3.28Å; L83-N87 PolarHBondContact O-N 3.39Å; L83-N87 PolarHBondContact O-ND2 2.78Å; L83-L106 HydrophobicContact CD2-CD2 4.01Å; L83-P107 HydrophobicContact CD2-CG 4.38Å
84A93.9Very high92.9Very high7 Ų771.1 Ų71.16%0.05837%0.373CS..Hα-helixtrans-55.8-58.2176.700000112L63 A64 H80 I81 A86 N87 D88L63-A84 HydrophobicContact CB-CB 3.63Å; A64-A84 HydrophobicContact CB-CB 4.09Å; H80-A84 WeakPolarHBondContact O-CB 3.45Å; H80-A84 PolarHBondContact O-N 3.12Å; I81-A84 PolarHBondContact O-N 2.79Å; A84-A86 PolarHBondContact O-N 2.9Å; A84-A86 VanDerWaalsContact O-N 3.14Å; A84-N87 PolarHBondContact O-N 2.85Å; A84-D88 PolarHBondContact O-N 2.92Å
85V94.1Very high93Very high3 Ų368.5 Ų68.52%0.01834%0.335CS..Hα-helixtrans-59.7-27.8-179.3168.40000112.9I60 I81 L91 N92 L95 I100I60-V85 HydrophobicContact CG1-CG2 4.49Å; I60-V85 HydrophobicContact CG2-CG2 4.41Å; I81-V85 HydrophobicContact CG2-CG2 4.27Å; I81-V85 WeakPolarHBondContact O-CB 3.04Å; I81-V85 WeakPolarHBondContact O-CG2 3.44Å; I81-V85 PolarHBondContact O-N 2.84Å; V85-L91 HydrophobicContact CG1-CB 4.45Å; V85-N92 WeakPolarHBondContact O-CA 3.28Å; V85-N92 WeakPolarHBondContact O-CB 3.48Å; V85-N92 PolarHBondContact O-N 3.08Å; V85-L95 HydrophobicContact CB-CD1 4.37Å; V85-L95 HydrophobicContact CG1-CB 3.89Å; V85-L95 HydrophobicContact CG1-CD1 3.64Å; V85-L95 HydrophobicContact CG1-CG 4.33Å; V85-L95 HydrophobicContact CG2-CD1 3.72Å; V85-I100 HydrophobicContact CB-CD1 4.29Å; V85-I100 HydrophobicContact CG1-CD1 4.43Å; V85-I100 HydrophobicContact CG2-CD1 4.29Å
86A88.8Confident92.6Very high17 Ų1767.8 Ų67.814%0.1433%0.333CS..Hα-helixtrans-92.6-23.7-177.300000114.6K82 L83 A84 L106K82-A86 WeakPolarHBondContact O-CB 3.43Å; K82-A86 PolarHBondContact O-N 2.65Å; L83-A86 PolarHBondContact O-N 3.47Å; A84-A86 PolarHBondContact O-N 2.9Å; A84-A86 VanDerWaalsContact O-N 3.14Å; A86-L106 HydrophobicContact CB-CD1 3.61Å; A86-L106 HydrophobicContact CB-CD2 3.41Å; A86-L106 VanDerWaalsContact CB-CD2 3.41Å; A86-L106 HydrophobicContact CB-CG 3.98Å
87N84.8Confident92.2Very high131 Ų13168.5 Ų68.570%0.70136%0.356SS*.Hα-helixtrans-86.8-17.5177.2-70-14.2000112L83 A84L83-N87 WeakPolarHBondContact O-CB 3.28Å; L83-N87 PolarHBondContact O-N 3.39Å; L83-N87 PolarHBondContact O-ND2 2.78Å; A84-N87 PolarHBondContact O-N 2.85Å
88D91.3Very high92.1Very high54 Ų5469.5 Ų69.529%0.28936%0.362SS..SBendtrans-94.6131.5171.2179.3-103.2000111.2L63 A84 E90 L91 N92L63-D88 HydrophobicContact CD1-CB 4.12Å; A84-D88 PolarHBondContact O-N 2.92Å; D88-E90 PolarHBondContact OD1-N 2.94Å; D88-L91 HydrophobicContact CB-CB 4.21Å; D88-L91 HydrophobicContact CB-CD1 4.22Å; D88-L91 HydrophobicContact CB-CG 4.45Å; D88-L91 VanDerWaalsContact OD1-CB 3.25Å; D88-L91 WeakPolarHBondContact OD1-CB 3.46Å; D88-L91 VanDerWaalsContact OD1-CG 3.24Å; D88-L91 WeakPolarHBondContact OD1-CG 3.42Å; D88-L91 PolarHBondContact OD1-N 3.23Å; D88-N92 WeakPolarHBondContact O-CB 3.42Å; D88-N92 PolarHBondContact O-N 2.86Å
89E87.3Confident91.9Very high169 Ų16973 Ų7379%0.7938%0.382SS*.Hα-helixtrans-74.1-39.3-173.2-174166.7-169.700112.4Q93E89-Q93 VanDerWaalsContact O-CB 3.25Å; E89-Q93 WeakPolarHBondContact O-CB 3.27Å; E89-Q93 PolarHBondContact O-N 3.43Å
90E90.8Very high91.8Very high162 Ų16271.3 Ų71.376%0.75738%0.379SS*.Hα-helixtrans-71.8-45.1-176.9-60-161.4159.200111.5D88 Q93 L94D88-E90 PolarHBondContact OD1-N 2.94Å; E90-Q93 PolarHBondContact O-N 3.09Å; E90-L94 WeakPolarHBondContact O-CB 3.45Å; E90-L94 PolarHBondContact O-N 3Å
91L93Very high91.7Very high6 Ų675.2 Ų75.23%0.03141%0.407CS..Hα-helixtrans-66.7-39.6174.1-67.5176.1000111.6E59 I60 L63 V85 D88 Q93 L94 L95E59-L91 HydrophobicContact CG-CD1 4.36Å; I60-L91 HydrophobicContact CD1-CD2 4.19Å; I60-L91 HydrophobicContact CG1-CD1 3.89Å; I60-L91 HydrophobicContact CG1-CD2 3.85Å; L63-L91 HydrophobicContact CD1-CD1 3.66Å; V85-L91 HydrophobicContact CG1-CB 4.45Å; D88-L91 HydrophobicContact CB-CB 4.21Å; D88-L91 HydrophobicContact CB-CD1 4.22Å; D88-L91 HydrophobicContact CB-CG 4.45Å; D88-L91 VanDerWaalsContact OD1-CB 3.25Å; D88-L91 WeakPolarHBondContact OD1-CB 3.46Å; D88-L91 VanDerWaalsContact OD1-CG 3.24Å; D88-L91 WeakPolarHBondContact OD1-CG 3.42Å; D88-L91 PolarHBondContact OD1-N 3.23Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.38Å; L91-L94 HydrophobicContact CD2-CD2 4.43Å; L91-L94 PolarHBondContact O-N 2.72Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.87Å
92N91.1Very high91.6Very high64 Ų6479.9 Ų79.934%0.34243%0.432SS..Hα-helixtrans-64.3-35.5175.7-172.243.1000111.4V85 D88 R96V85-N92 WeakPolarHBondContact O-CA 3.28Å; V85-N92 WeakPolarHBondContact O-CB 3.48Å; V85-N92 PolarHBondContact O-N 3.08Å; D88-N92 WeakPolarHBondContact O-CB 3.42Å; D88-N92 PolarHBondContact O-N 2.86Å; N92-R96 WeakPolarHBondContact O-CA 3.5Å; N92-R96 WeakPolarHBondContact O-CB 3.22Å; N92-R96 PolarHBondContact O-N 2.98Å
93Q92.1Very high91.4Very high107 Ų10777.5 Ų77.550%0.542%0.422SS..Hα-helixtrans-73.2-46.4175.6-178.658.519.900111.9E89 E90 L91 L95 R96E89-Q93 VanDerWaalsContact O-CB 3.25Å; E89-Q93 WeakPolarHBondContact O-CB 3.27Å; E89-Q93 PolarHBondContact O-N 3.43Å; E90-Q93 PolarHBondContact O-N 3.09Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.38Å; Q93-L95 VanDerWaalsContact C-N 3.28Å; Q93-L95 PolarHBondContact O-N 2.99Å; Q93-R96 WeakPolarHBondContact O-CB 3.35Å; Q93-R96 PolarHBondContact O-N 3.28Å
94L91.8Very high91.2Very high109 Ų10979.2 Ų79.257%0.57144%0.444SS*.Hα-helixtrans-60.5-36.9176.9179.863.6000112.2L56 E90 L91L56-L94 HydrophobicContact CD1-CD2 4.44Å; L56-L94 HydrophobicContact CD2-CD2 3.91Å; E90-L94 WeakPolarHBondContact O-CB 3.45Å; E90-L94 PolarHBondContact O-N 3Å; L91-L94 HydrophobicContact CD2-CD2 4.43Å; L91-L94 PolarHBondContact O-N 2.72Å
95L92.9Very high90.8Very high44 Ų4484.9 Ų84.923%0.2348%0.477CS..THydrogen-bonded Turntrans-108.218.7-176.2-56.1175.3000112.8I60 V85 L91 Q93 G97 V98I60-L95 HydrophobicContact CD1-CD1 4.14Å; V85-L95 HydrophobicContact CB-CD1 4.37Å; V85-L95 HydrophobicContact CG1-CB 3.89Å; V85-L95 HydrophobicContact CG1-CD1 3.64Å; V85-L95 HydrophobicContact CG1-CG 4.33Å; V85-L95 HydrophobicContact CG2-CD1 3.72Å; L91-L95 WeakPolarHBondContact O-CB 3.44Å; L91-L95 WeakPolarHBondContact O-CG 3.46Å; L91-L95 PolarHBondContact O-N 2.87Å; Q93-L95 VanDerWaalsContact C-N 3.28Å; Q93-L95 PolarHBondContact O-N 2.99Å; L95-G97 PolarHBondContact O-N 3.27Å; L95-V98 HydrophobicContact CB-CB 4.16Å; L95-V98 HydrophobicContact CB-CG2 4.16Å; L95-V98 HydrophobicContact CD2-CG2 3.94Å; L95-V98 WeakPolarHBondContact O-CB 3.36Å; L95-V98 PolarHBondContact O-N 2.91Å
96R89.4Confident90.1Very high185 Ų18588.3 Ų88.370%0.69850%0.495SS*.THydrogen-bonded Turntrans-53.2-32.3-175.1-174.9-178.3-85.7-154.6-2.3113.9N92 Q93N92-R96 WeakPolarHBondContact O-CA 3.5Å; N92-R96 WeakPolarHBondContact O-CB 3.22Å; N92-R96 PolarHBondContact O-N 2.98Å; Q93-R96 WeakPolarHBondContact O-CB 3.35Å; Q93-R96 PolarHBondContact O-N 3.28Å
97G88.9Confident89.4Confident80 Ų8092.1 Ų92.183%0.82552%0.519SS*.THydrogen-bonded Turntrans-95.14.2177.400000115.7L95L95-G97 PolarHBondContact O-N 3.27Å
98V93.5Very high88.9Confident73 Ų7395.7 Ų95.744%0.44252%0.522SS..  trans-98.5121-171-178.60000111.7L95L95-V98 HydrophobicContact CB-CB 4.16Å; L95-V98 HydrophobicContact CB-CG2 4.16Å; L95-V98 HydrophobicContact CD2-CG2 3.94Å; L95-V98 WeakPolarHBondContact O-CB 3.36Å; L95-V98 PolarHBondContact O-N 2.91Å
99T92.7Very high88Confident125 Ų12597.9 Ų97.977%0.76753%0.533SS*.  trans-84.4116173.2-61.80000110.8S101T99-S101 PolarHBondContact O-N 2.94Å
100I93.3Very high87.4Confident36 Ų3695.1 Ų95.119%0.18552%0.52CS..  trans-91.597.9172.9-59.9168.3000108.6P78 I81 K82 V85 G103P78-I100 HydrophobicContact CB-CG2 4.17Å; I81-I100 HydrophobicContact CG2-CD1 4.09Å; K82-I100 HydrophobicContact CB-CB 4.39Å; K82-I100 HydrophobicContact CB-CD1 4.23Å; K82-I100 HydrophobicContact CB-CG2 4.3Å; K82-I100 HydrophobicContact CD-CB 4.32Å; K82-I100 HydrophobicContact CD-CD1 3.93Å; V85-I100 HydrophobicContact CB-CD1 4.29Å; V85-I100 HydrophobicContact CG1-CD1 4.43Å; V85-I100 HydrophobicContact CG2-CD1 4.29Å; I100-G103 PolarHBondContact O-N 3.1Å
101S93.5Very high86.5Confident89 Ų8991.5 Ų91.562%0.62251%0.51SS*.THydrogen-bonded Turntrans-54.6138.3176.8-57.90000111.6P78 T99 G103P78-S101 WeakPolarHBondContact CB-O 3.43Å; T99-S101 PolarHBondContact O-N 2.94Å; S101-G103 PolarHBondContact O-N 3.1Å
102N93.8Very high86Confident148 Ų14898.4 Ų98.479%0.79154%0.543SS*.THydrogen-bonded Turntrans60.412.9-172.9-54.2-45.1000115.2P78P78-N102 HydrophobicContact CB-CB 4.17Å; P78-N102 HydrophobicContact CG-CB 4.26Å
103G90.3Very high85Confident1 Ų1101.7 Ų101.71%0.0156%0.559CS.*  trans-74.3-22.4175.500000114.8R79 I100 S101R79-G103 WeakPolarHBondContact CD-O 3.5Å; R79-G103 PolarHBondContact NH1-O 3.23Å; I100-G103 PolarHBondContact O-N 3.1Å; S101-G103 PolarHBondContact O-N 3.1Å
104G88.8Confident84.3Confident54 Ų5499.6 Ų99.656%0.55755%0.551SS**  trans64.7-171.7-174.200000113.8
105V84.3Confident83.2Confident125 Ų12599.1 Ų99.176%0.75856%0.557SS**  trans-95.7148179.4-62.40000112.2R79R79-V105 VanDerWaalsContact CZ-O 3.23Å; R79-V105 PolarHBondContact NH1-O 3.32Å; R79-V105 PolarHBondContact NH2-O 2.82Å
106L79.8Confident81.4Confident76 Ų76107 Ų10740%0.39859%0.589SS.*  trans-60.8140.3176.5-73.2157.3000110.7L83 A86 R108L83-L106 HydrophobicContact CD2-CD2 4.01Å; A86-L106 HydrophobicContact CB-CD1 3.61Å; A86-L106 HydrophobicContact CB-CD2 3.41Å; A86-L106 VanDerWaalsContact CB-CD2 3.41Å; A86-L106 HydrophobicContact CB-CG 3.98Å; L106-R108 PolarHBondContact O-N 2.84Å
107P73.6Confident79.3Confident97 Ų97105.2 Ų105.263%0.6359%0.587SS**  trans-62.9109.5174.6-17.230.9000110L83L83-P107 HydrophobicContact CD2-CG 4.38Å
108R74.1Confident77Confident206 Ų206113.5 Ų113.578%0.77759%0.593SS**  trans-122.596.4170.1-170.9174.9-173.1157.44108.2L106L106-R108 PolarHBondContact O-N 2.84Å
109I74.4Confident75Confident99 Ų99114.4 Ų114.451%0.50862%0.617SS.*  trans-86.4124174.8-54.8176.9000107L113 L114I109-L113 HydrophobicContact CG2-CB 4Å; I109-L114 HydrophobicContact CB-CD2 4.37Å; I109-L114 HydrophobicContact CD1-CD2 4.49Å; I109-L114 HydrophobicContact CG2-CD2 3.75Å; I109-L114 HydrophobicContact CG2-CG 4.15Å
110H73.3Confident72.4Confident111 Ų111111.1 Ų111.151%0.51460%0.599SS.*  trans-61.6134.4171.8-82.4-89.8000109.8E112 L113H110-E112 PolarHBondContact O-N 2.94Å; H110-L113 HydrophobicContact CB-CD1 4.05Å; H110-L113 HydrophobicContact CB-CG 4.08Å; H110-L113 WeakPolarHBondContact O-CB 3.19Å; H110-L113 PolarHBondContact O-N 2.99Å
111P72.1Confident69.8Low86 Ų86121.8 Ų121.856%0.55864%0.637SS**G310 helixtrans-52.9-29.8-178.7-28.836.2000114.2L113 L114P111-L113 VanDerWaalsContact C-N 3.28Å; P111-L113 PolarHBondContact O-N 3.26Å; P111-L114 WeakPolarHBondContact O-CB 3.22Å; P111-L114 PolarHBondContact O-N 2.95Å
112E82.3Confident67Low152 Ų152121.8 Ų121.871%0.7163%0.633SS**G310 helixtrans-66.6-26.5177-60.869.2-148.700113.1H110H110-E112 PolarHBondContact O-N 2.94Å
113L71.3Confident64.3Low133 Ų133124.4 Ų124.470%0.69664%0.637SS**G310 helixtrans-86.9-7.1178.6-58.8177.5000112.7I109 H110 P111 S115I109-L113 HydrophobicContact CG2-CB 4Å; H110-L113 HydrophobicContact CB-CD1 4.05Å; H110-L113 HydrophobicContact CB-CG 4.08Å; H110-L113 WeakPolarHBondContact O-CB 3.19Å; H110-L113 PolarHBondContact O-N 2.99Å; P111-L113 VanDerWaalsContact C-N 3.28Å; P111-L113 PolarHBondContact O-N 3.26Å; L113-S115 PolarHBondContact O-N 3.45Å
114L76.2Confident61.6Low63 Ų63128.2 Ų128.233%0.3366%0.66SS.*SBendtrans-77.3107.8173.8-62.9174.6000109.9I109 P111 K116 V124I109-L114 HydrophobicContact CB-CD2 4.37Å; I109-L114 HydrophobicContact CD1-CD2 4.49Å; I109-L114 HydrophobicContact CG2-CD2 3.75Å; I109-L114 HydrophobicContact CG2-CG 4.15Å; P111-L114 WeakPolarHBondContact O-CB 3.22Å; P111-L114 PolarHBondContact O-N 2.95Å; L114-K116 PolarHBondContact O-N 3.28Å; L114-K116 VanDerWaalsContact O-N 3.14Å; L114-V124 HydrophobicContact CD1-CG1 3.93Å
115S68.9Low59.2Low99 Ų99133.3 Ų133.369%0.69268%0.675SS**  trans-58.8117.2-178.2660000112.2L113 K117L113-S115 PolarHBondContact O-N 3.45Å; S115-K117 VanDerWaalsContact C-N 3.33Å; S115-K117 PolarHBondContact O-N 2.99Å
116K54.2Low56.8Low208 Ų208131.8 Ų131.890%0.90467%0.666SS**  trans-69.483.8171.3-73.9-178.4178.1173.10111.4L114 R118L114-K116 PolarHBondContact O-N 3.28Å; L114-K116 VanDerWaalsContact O-N 3.14Å; K116-R118 PolarHBondContact O-N 2.77Å
117K45.3Very low54.8Low149 Ų149136 Ų13665%0.64868%0.683SS**  trans-62.9123.1170-96-172.1175.1179.70110.5S115 S120 V122S115-K117 VanDerWaalsContact C-N 3.33Å; S115-K117 PolarHBondContact O-N 2.99Å; K117-S120 WeakPolarHBondContact CD-OG 3.41Å; K117-V122 HydrophobicContact CB-CG2 4.49Å
118R41.7Very low53Low254 Ų254137.2 Ų137.296%0.95869%0.689SS**THydrogen-bonded Turntrans-68.3128.7162.8-75.8-176175.7179.5-0.3109.1K116K116-R118 PolarHBondContact O-N 2.77Å
119G51.1Low50.9Low91 Ų91133.3 Ų133.394%0.93869%0.688SS**THydrogen-bonded Turntrans91.1-0.416200000118.3
120S38Very low48.9Very low57 Ų57134.8 Ų134.840%0.39970%0.701SS.*  trans-127.4127.7175.363.20000111.6K117 V122K117-S120 WeakPolarHBondContact CD-OG 3.41Å; S120-V122 PolarHBondContact O-N 1.94Å
121R38.8Very low47.2Very low260 Ų260135.1 Ų135.198%0.98171%0.714SS**  trans-64.2101.8168.4-79.4-178.1173.8170.3-3109.1
122V34.8Very low45.1Very low88 Ų88138.4 Ų138.453%0.53372%0.721SS.*  trans-81.1123.3170.7-176.30000107.5K117 S120 V124K117-V122 HydrophobicContact CB-CG2 4.49Å; S120-V122 PolarHBondContact O-N 1.94Å; V122-V124 HydrophobicContact CB-CG2 4.2Å; V122-V124 HydrophobicContact CG1-CG2 3.71Å; V122-V124 PolarHBondContact O-N 3.04Å
123K36.9Very low42.7Very low204 Ų204139.5 Ų139.589%0.88772%0.724SS**  trans-68.9118.1161-75.9-172.7173.6-171.90107.2
124V33.2Very low40.6Very low81 Ų81144.8 Ų144.849%0.49174%0.735SS.*  trans-116.5102.5176.1179.70000107.4L114 V122 T126L114-V124 HydrophobicContact CD1-CG1 3.93Å; V122-V124 HydrophobicContact CB-CG2 4.2Å; V122-V124 HydrophobicContact CG1-CG2 3.71Å; V122-V124 PolarHBondContact O-N 3.04Å; V124-T126 WeakPolarHBondContact CG1-OG1 3.34Å; V124-T126 PolarHBondContact O-N 3.5Å
125D39.1Very low38.1Very low161 Ų161145.9 Ų145.986%0.86175%0.752SS**  trans-76.1109.7162.9-72.7-49.7000108.2
126T33.2Very low36.1Very low92 Ų92148.6 Ų148.656%0.56475%0.754SS**  trans-154.2127.1164-44.90000110.6V124V124-T126 WeakPolarHBondContact CG1-OG1 3.34Å; V124-T126 PolarHBondContact O-N 3.5Å
127Q39.1Very low34.7Very low164 Ų164148.9 Ų148.977%0.76675%0.75SS**  trans-84.2130.7175.2-71.9177.7-13.400112.2
128V34.9Very low33.7Very low124 Ų124146.9 Ų146.975%0.75275%0.75SS**  trans48121.3133.8-1720000120.5
129T29.9Very low32.8Very low123 Ų123144 Ų14476%0.75574%0.744SS**  -164.6149.11266.70000111.2
130V33.7Very low31.5Very low130 Ų130143.7 Ų143.779%0.78873%0.727SS**  trans-138.6136.9-171.7-177.40000107.5
131P36.1Very low30.9Very low119 Ų119147.9 Ų147.977%0.77374%0.744SS**  -149.8-171.481.744.5-24.6000113.9
132E29.4Very low30.3Very low154 Ų154145.1 Ų145.172%0.7274%0.739SS**  cis-153.1-178.3-5.8-134.7-70.783.300109
133K30.8Very low29.8Very low176 Ų176150.3 Ų150.377%0.76575%0.754SS**  trans-67.4145.8178.2-68.5163.1-175.4170.90115.9
134R26.6Very low29.6Very low244 Ų244145.7 Ų145.792%0.92175%0.745SS**  -159.8127.1124.9-136.8178.3177.2177.6-0.9115.8
135A25.2Very low29.3Very low85 Ų85148.9 Ų148.970%0.70277%0.765SS**  trans35.8117.2143.200000124
136E25.8Very low28.6Very low157 Ų157147.3 Ų147.373%0.73476%0.762SS**  70.8144.7122.2-95.2-168.3-136.700125.8
137R24.8Very low28.3Very low214 Ų214153 Ų15381%0.80878%0.778SS**  trans77.3147.7153.6-74171.8-176.2-128.6-2.2119.8
138V24Very low27.6Very low107 Ų107155 Ų15565%0.64879%0.785SS**  cis-176.6154.2-30.5117.30000108
139K24.3Very low27.2Very low193 Ų193152.9 Ų152.984%0.83979%0.788SS**  trans65.7155.7169.2-79159.1-167.4-179.20115.9
140S23.8Very low27Very low84 Ų84157.2 Ų157.259%0.58780%0.796SS**  cis-178.1152.2-15.352.50000111.1
141I25.1Very low26.6Very low146 Ų146155 Ų15575%0.74980%0.799SS**  trans63130.2142.8-65163.2000116
142K24.9Very low26.2Very low202 Ų202159.1 Ų159.188%0.87881%0.805SS**  cis-159.7169.646.8-141.6148.1-162.1177.30111.6
143K24.1Very low26.5Very low197 Ų197157.8 Ų157.886%0.85781%0.809SS**  trans-99.7-170.1-176.5-135.4-173.5-176.8174.80111
144P34Very low26.2Very low107 Ų107152.8 Ų152.870%0.69581%0.808SS**  -105.8176.1-126.741.7-27.8000114.6
145T25.7Very low26.1Very low147 Ų147152.4 Ų152.490%0.90281%0.807SS**  trans-130.6151.6156.744.60000112.1
146T24.2Very low26.2Very low129 Ų129158.2 Ų158.279%0.79182%0.816SS**  trans-104.9158.4-170.149.10000111.5
147K28Very low26.2Very low210 Ų210159.3 Ų159.391%0.91382%0.821SS**  trans-162.3140.4130.2-109163.9-173.2-179.30112.3
148K25.1Very low26.2Very low207 Ų207161.3 Ų161.390%0.983%0.829SS**  trans-86147.3176.2-70.4171.1173.5171.50110
149G25.9Very low26.2Very low79 Ų79165 Ų16581%0.81484%0.836SS**  trans-141.5125.5159.800000109.1
150K25.4Very low26.2Very low215 Ų215161.7 Ų161.794%0.93583%0.828SS**  trans-92.5150-177.5-65.7174.9175.3177.70110.5
151G26.3Very low26.3Very low82 Ų82164.5 Ų164.585%0.84584%0.842SS**  trans168.191.9167.200000115.9
152K26.1Very low26.2Very low206 Ų206165.5 Ų165.590%0.89684%0.843SS**  trans-107.1175.5158.7-103.9-175.3179.5179.80107.2
153P37Very low26.1Very low126 Ų126162.4 Ų162.482%0.81884%0.836SS**  cis-140.1-171.312.437.3-15.5000116.2
154G24.6Very low26.2Very low72 Ų72159.8 Ų159.874%0.74283%0.832SS**  trans113.887.7154.300000116.3
155R24.4Very low25.8Very low236 Ų236164 Ų16489%0.89184%0.839SS**  71.5106.182.5-170.4-175.4-171.4-179.44.3115.6
156K26.9Very low25.8Very low207 Ų207166.3 Ų166.390%0.984%0.84SS**  -168.1138.2127.4-108.2166.3-176.1175.10112.6
157Q25.6Very low25.8Very low180 Ų180164.2 Ų164.284%0.84184%0.835SS**  trans-78.8156.4165.5-66.4156.9-58.400109.8
158R25.3Very low25.8Very low255 Ų255161.2 Ų161.296%0.96283%0.834SS**  trans-143.9148.6145.4-107.2178-179.2-179.6-1.7110.4
159K23.9Very low25.9Very low185 Ų185157 Ų15780%0.80483%0.825SS**  trans-91158.4-173.5-101.3-175.4170.3-176.50111.9
160N22.8Very low26.1Very low123 Ų123157 Ų15766%0.65882%0.818SS**  trans41.6127.7144.8-58.625.5000120.4
161T25.9Very low26.1Very low144 Ų144154 Ų15488%0.88381%0.812SS**  -139.4148.4115.234.80000109.1
162E23.4Very low26.4Very low166 Ų166155.4 Ų155.478%0.77681%0.809SS**  trans-85.7-166.7179.9-68.8164.3114.200111.7
163N24.3Very low26.5Very low138 Ų138151.5 Ų151.574%0.73880%0.802SS**  trans86.2130.9176.4-60.634.1000115
164D26.3Very low26.3Very low142 Ų142151.8 Ų151.876%0.75980%0.801SS**  cis-145.1164.2-3.5-106.9-44.5000112.7
165K24.4Very low26.9Very low196 Ų196157.9 Ų157.985%0.85281%0.811SS**  trans-79130.2-175.9-62160.6-179.4166.40111.3
166E25.3Very low28.5Very low195 Ų195152.5 Ų152.591%0.91180%0.8SS**  trans-138.794.2142-116.9176.9-170.200108.5V168E166-V168 PolarHBondContact O-N 2.86Å
167A24.8Very low30.4Very low85 Ų85144.4 Ų144.470%0.70278%0.775SS**  trans-72.1121.3176.700000108.9V169A167-V169 PolarHBondContact O-N 3.34Å
168V27.7Very low33.2Very low146 Ų146136.1 Ų136.189%0.88574%0.736SS**  trans-64.1106.2168.8-179.80000107.3E166 A170E166-V168 PolarHBondContact O-N 2.86Å; V168-A170 PolarHBondContact O-N 2.92Å
169V27.4Very low36.2Very low118 Ų118124.8 Ų124.872%0.71570%0.699SS**  trans-65.6106.8-177.2-178.40000108.8A167 N171A167-V169 PolarHBondContact O-N 3.34Å; V169-N171 PolarHBondContact O-N 2.94Å
170A29.8Very low39.3Very low79 Ų79122.8 Ų122.865%0.65370%0.698SS**  trans-67115.6167.700000108.5V168 S172V168-A170 PolarHBondContact O-N 2.92Å; A170-S172 PolarHBondContact O-N 3.45Å
171N25.9Very low42.5Very low154 Ų154118.7 Ų118.782%0.82468%0.684SS**  trans-73.382.8168.5-93.7-3000109.5V169 T173V169-N171 PolarHBondContact O-N 2.94Å; N171-T173 PolarHBondContact O-N 3.01Å
172S33.1Very low45.7Very low110 Ų110112.7 Ų112.777%0.76965%0.646SS**  trans-83.292.9173.156.80000111.1A170A170-S172 PolarHBondContact O-N 3.45Å
173T27.3Very low49.1Very low125 Ų125108.6 Ų108.677%0.76763%0.632SS**  trans-144.9120.116055.30000105N171N171-T173 PolarHBondContact O-N 3.01Å
174V32.3Very low52.5Low131 Ų131105.1 Ų105.179%0.79461%0.613SS**  cis-141.9174.323-171.60000108.1D176V174-D176 PolarHBondContact O-N 3.14Å
175E38.3Very low55.6Low201 Ų201101.7 Ų101.794%0.93959%0.594SS**SBendtrans-66.657.7173.9-65.6-163.9138.200114.4
176D56.7Low58.8Low123 Ų12394.3 Ų94.366%0.65857%0.568SS**  trans-135.433-172.3-142.79.8000111.6V174 Y349V174-D176 PolarHBondContact O-N 3.14Å; D176-Y349 PolarHBondContact O-OH 3.46Å
177G68.6Low61.9Low37 Ų3787.6 Ų87.638%0.38155%0.545SS..SBendtrans-89.7166.7177.600000113.5G179G177-G179 PolarHBondContact O-N 3Å
178P83.8Confident65Low5 Ų585 Ų853%0.03252%0.518CS..SBendtrans-63.31.9-175.223.4-34.1000116.4F182 I184 T199 I209 K210 Y349P178-F182 HydrophobicContact CB-CB 3.7Å; P178-F182 HydrophobicContact CB-CG 4.03Å; P178-F182 HydrophobicContact CG-CB 3.54Å; P178-F182 HydrophobicContact CG-CG 4.4Å; P178-F182 WeakPolarHBondContact O-CD2 3.49Å; P178-I184 HydrophobicContact CG-CD1 4.37Å; P178-I184 HydrophobicContact CG-CG1 4.02Å; P178-T199 HydrophobicContact CB-CG2 4.48Å; P178-T199 HydrophobicContact CG-CG2 4.04Å; P178-I209 HydrophobicContact CB-CD1 3.9Å; P178-I209 HydrophobicContact CB-CG1 3.69Å; P178-I209 WeakPolarHBondContact O-CA 3.42Å; P178-I209 VanDerWaalsContact O-CG1 3.27Å; P178-I209 WeakPolarHBondContact O-CG1 3.32Å; P178-K210 PolarHBondContact O-N 3.33Å; P178-Y349 HydrophobicContact CB-CD1 4.38Å; P178-Y349 HydrophobicContact CB-CE1 4.31Å; P178-Y349 HydrophobicContact CG-CD1 4.49Å; P178-Y349 HydrophobicContact CG-CE1 4.27Å
179G88.3Confident68Low18 Ų1880.7 Ų80.719%0.18649%0.494CS..  trans94.1-178.5179.800000113.8G177 F182G177-G179 PolarHBondContact O-N 3Å; G179-F182 PolarHBondContact O-N 3.23Å
180D88.6Confident70.7Confident143 Ų14375.5 Ų75.577%0.76546%0.463SS*.THydrogen-bonded Turntrans-68.7138.6-175-61.7-40.8000111.8F182D180-F182 WeakPolarHBondContact O-CD2 3.31Å
181G89.4Confident72.8Confident37 Ų3779.3 Ų79.338%0.38146%0.464SS..THydrogen-bonded Turntrans82.512.5-176.500000115S201G181-S201 WeakPolarHBondContact O-CB 3.22Å; G181-S201 PolarHBondContact O-OG 2.93Å
182F94.4Very high75.5Confident18 Ų1876.7 Ų76.78%0.07945%0.45CS..  trans-123.8121.1175.8-65.6-87.7000111.2P178 G179 D180 T199 S201 K205 I209 V351P178-F182 HydrophobicContact CB-CB 3.7Å; P178-F182 HydrophobicContact CB-CG 4.03Å; P178-F182 HydrophobicContact CG-CB 3.54Å; P178-F182 HydrophobicContact CG-CG 4.4Å; P178-F182 WeakPolarHBondContact O-CD2 3.49Å; G179-F182 PolarHBondContact O-N 3.23Å; D180-F182 WeakPolarHBondContact O-CD2 3.31Å; F182-T199 HydrophobicContact CB-CG2 3.71Å; F182-T199 HydrophobicContact CD1-CG2 3.83Å; F182-T199 HydrophobicContact CG-CG2 4.26Å; F182-S201 VanDerWaalsContact CD1-CB 3.43Å; F182-S201 WeakPolarHBondContact CD1-OG 3.32Å; F182-S201 WeakPolarHBondContact CE1-OG 3.28Å; F182-K205 HydrophobicContact CE2-CB 4.41Å; F182-K205 HydrophobicContact CZ-CB 4.11Å; F182-K205 VanDerWaalsContact CZ-O 3.26Å; F182-K205 WeakPolarHBondContact CZ-O 3.37Å; F182-I209 HydrophobicContact CD1-CB 4.44Å; F182-I209 HydrophobicContact CD1-CD1 3.78Å; F182-I209 HydrophobicContact CD1-CG1 3.84Å; F182-I209 HydrophobicContact CD2-CB 4.44Å; F182-I209 HydrophobicContact CD2-CG1 4.1Å; F182-I209 HydrophobicContact CE1-CB 3.76Å; F182-I209 HydrophobicContact CE1-CD1 3.67Å; F182-I209 HydrophobicContact CE1-CG1 3.64Å; F182-I209 HydrophobicContact CE2-CB 3.76Å; F182-I209 HydrophobicContact CE2-CG1 3.91Å; F182-I209 HydrophobicContact CG-CD1 4.42Å; F182-I209 HydrophobicContact CG-CG1 4.07Å; F182-I209 HydrophobicContact CZ-CB 3.37Å; F182-I209 HydrophobicContact CZ-CD1 4.22Å; F182-I209 HydrophobicContact CZ-CG1 3.68Å; F182-V351 HydrophobicContact CD1-CG1 4.2Å; F182-V351 HydrophobicContact CE1-CG1 3.93Å
183T94.5Very high78Confident80 Ų8073.5 Ų73.549%0.49144%0.435SS..EExtended strand (participates in β ladder)trans-108.1115.8-179.5-53.90000109.8L185 T199 E200T183-L185 HydrophobicContact CG2-CD2 4.02Å; T183-L185 PolarHBondContact O-N 3.06Å; T183-T199 CarbonylContact O-C 3.56Å; T183-T199 VanDerWaalsContact O-CA 3.32Å; T183-T199 WeakPolarHBondContact O-CA 3.46Å; T183-E200 PolarHBondContact N-O 3.28Å; T183-E200 PolarHBondContact O-N 3.08Å
184I94.5Very high80.9Confident65 Ų6568 Ų6833%0.33340%0.4SS..EExtended strand (participates in β ladder)trans-72.3115.8171.1-58.3177.9000108.6P178 S186 A187 L198 Y349P178-I184 HydrophobicContact CG-CD1 4.37Å; P178-I184 HydrophobicContact CG-CG1 4.02Å; I184-S186 WeakPolarHBondContact CG2-O 3.31Å; I184-A187 HydrophobicContact CG2-CB 4.48Å; I184-L198 CarbonylContact C-O 3.57Å; I184-L198 WeakPolarHBondContact CA-O 3.4Å; I184-Y349 HydrophobicContact CD1-CE1 4.35Å
185L91.9Very high83.9Confident69 Ų6965.4 Ų65.436%0.36138%0.378SS..EExtended strand (participates in β ladder)trans-90.5-31.4179.3-63.4-173.5000113T183 L198 E200 I358T183-L185 HydrophobicContact CG2-CD2 4.02Å; T183-L185 PolarHBondContact O-N 3.06Å; L185-L198 HydrophobicContact CB-CD2 4.49Å; L185-L198 PolarHBondContact N-O 2.8Å; L185-E200 HydrophobicContact CD1-CB 3.74Å; L185-E200 HydrophobicContact CD2-CB 4.25Å; L185-E200 HydrophobicContact CG-CB 3.9Å; L185-I358 HydrophobicContact CD1-CB 4.47Å; L185-I358 HydrophobicContact CD1-CD1 4.04Å; L185-I358 HydrophobicContact CD1-CG1 4.23Å; L185-I358 HydrophobicContact CD1-CG2 3.42Å; L185-I358 VanDerWaalsContact CD1-CG2 3.42Å
186S91.1Very high86.5Confident42 Ų4255.8 Ų55.829%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-155.2151.8179.2-178.60000109.2I184 S197 L198I184-S186 WeakPolarHBondContact CG2-O 3.31Å; S186-S197 CarbonylContact O-C 3.55Å; S186-L198 PolarHBondContact O-N 2.96Å
187A92.1Very high88.4Confident53 Ų5350 Ų5044%0.43830%0.302SS..EExtended strand (participates in β ladder)trans-140.8140.8169.800000110I184 K195 L196I184-A187 HydrophobicContact CG2-CB 4.48Å; A187-K195 HydrophobicContact CB-CG 4.41Å; A187-L196 CarbonylContact C-O 3.57Å; A187-L196 VanDerWaalsContact CA-O 3.27Å; A187-L196 WeakPolarHBondContact CA-O 3.37Å
188K89.6Confident89.6Confident32 Ų3248.2 Ų48.214%0.13928%0.284CS..EExtended strand (participates in β ladder)trans-133.9127179.9-163.4163.6-172.9166.30109.7L196 M365 A366 L368 A370K188-L196 PolarHBondContact N-O 3.31Å; K188-L196 PolarHBondContact O-N 2.84Å; K188-M365 HydrophobicContact CB-CE 4.05Å; K188-M365 WeakPolarHBondContact CD-O 3.39Å; K188-M365 WeakPolarHBondContact CE-O 3.49Å; K188-M365 PolarHBondContact NZ-O 2.83Å; K188-A366 PolarHBondContact NZ-O 3Å; K188-L368 HydrophobicContact CD-CB 4.38Å; K188-L368 WeakPolarHBondContact CE-O 3.44Å; K188-L368 PolarHBondContact NZ-O 3.07Å; K188-A370 HydrophobicContact CD-CB 4.24Å; K188-A370 HydrophobicContact CG-CB 3.91Å
189S89.8Confident90.2Very high54 Ų5448 Ų4838%0.37828%0.282SS..EExtended strand (participates in β ladder)trans-92.7121.6175.8-64.60000109.3Q194 A370 K371S189-Q194 WeakPolarHBondContact CA-O 3.36Å; S189-A370 WeakPolarHBondContact O-CA 3.3Å; S189-K371 PolarHBondContact O-N 2.95Å; S189-K371 VanDerWaalsContact O-N 3.12Å
190L84.4Confident90.5Very high10 Ų1050.8 Ų50.85%0.05229%0.291CS..  trans-69.5157.6169.8-57.1-177.9000109.8L192 G193 Q194 L196 F337 L368L190-L192 VanDerWaalsContact C-N 3.25Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-L192 VanDerWaalsContact O-N 3.14Å; L190-G193 PolarHBondContact O-N 2.86Å; L190-Q194 HydrophobicContact CD1-CB 4.34Å; L190-Q194 PolarHBondContact N-O 2.93Å; L190-L196 HydrophobicContact CD1-CD1 4.25Å; L190-L196 HydrophobicContact CD1-CD2 4.25Å; L190-L196 HydrophobicContact CD1-CG 4.21Å; L190-L196 HydrophobicContact CD2-CD1 3.91Å; L190-L196 HydrophobicContact CD2-CG 4.3Å; L190-L196 HydrophobicContact CG-CD1 4.23Å; L190-L196 HydrophobicContact CG-CG 4.11Å; L190-F337 HydrophobicContact CD1-CD2 3.67Å; L190-F337 HydrophobicContact CD1-CE2 4.38Å; L190-L368 HydrophobicContact CD2-CD1 4.46Å
191F74.5Confident90.7Very high158 Ų15844.6 Ų44.669%0.69326%0.259SS*.THydrogen-bonded Turntrans-50.7-41.8-176.2-174.4-99.2000114.1G193F191-G193 PolarHBondContact O-N 2.9Å
192L82Confident90.9Very high100 Ų10047.8 Ų47.852%0.52426%0.264SS..THydrogen-bonded Turntrans-80.24.4-179.8-63.6173.3000114.2L190 Q194 F337L190-L192 VanDerWaalsContact C-N 3.25Å; L190-L192 PolarHBondContact O-N 3.36Å; L190-L192 VanDerWaalsContact O-N 3.14Å; L192-Q194 VanDerWaalsContact C-OE1 3.25Å; L192-Q194 VanDerWaalsContact CB-OE1 3.29Å; L192-F337 WeakPolarHBondContact CD1-O 3.48Å
193G85.1Confident90.8Very high43 Ų4350 Ų5044%0.44328%0.276SS..SBendtrans95.31.7169.500000115.9L190 F191L190-G193 PolarHBondContact O-N 2.86Å; F191-G193 PolarHBondContact O-N 2.9Å
194Q89.9Confident90.8Very high10 Ų1049.3 Ų49.35%0.04727%0.274CS..PPolyproline II helixtrans-71.1136.3170-60.982.3-5.900110.3S189 L190 L192 F337 K346S189-Q194 WeakPolarHBondContact CA-O 3.36Å; L190-Q194 HydrophobicContact CD1-CB 4.34Å; L190-Q194 PolarHBondContact N-O 2.93Å; L192-Q194 VanDerWaalsContact C-OE1 3.25Å; L192-Q194 VanDerWaalsContact CB-OE1 3.29Å; Q194-F337 HydrophobicContact CB-CD2 4.25Å; Q194-F337 HydrophobicContact CB-CE2 4.12Å; Q194-F337 HydrophobicContact CB-CZ 4.45Å; Q194-F337 HydrophobicContact CG-CD1 3.87Å; Q194-F337 HydrophobicContact CG-CD2 4.02Å; Q194-F337 HydrophobicContact CG-CE1 3.85Å; Q194-F337 HydrophobicContact CG-CE2 3.95Å; Q194-F337 HydrophobicContact CG-CG 3.97Å; Q194-F337 HydrophobicContact CG-CZ 3.88Å; Q194-K346 CarbonylContact C-O 3.58Å; Q194-K346 WeakPolarHBondContact CA-O 3.1Å
195K93.4Very high90.8Very high75 Ų7549.3 Ų49.333%0.32627%0.272SS..EExtended strand (participates in β ladder)trans-103116.3178.8-174.7-175.6177-173.20110.1A187 S197 K346 N347 I348A187-K195 HydrophobicContact CB-CG 4.41Å; K195-S197 WeakPolarHBondContact CE-OG 3.43Å; K195-K346 PolarHBondContact N-O 3.27Å; K195-N347 WeakPolarHBondContact O-CA 3.43Å; K195-I348 PolarHBondContact O-N 3.17Å
196L94.8Very high90.9Very high0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-88.1118.2167.8-55-171.6000108.3A187 K188 L190 L330 I333 I348 F350 M365 L368A187-L196 CarbonylContact C-O 3.57Å; A187-L196 VanDerWaalsContact CA-O 3.27Å; A187-L196 WeakPolarHBondContact CA-O 3.37Å; K188-L196 PolarHBondContact N-O 3.31Å; K188-L196 PolarHBondContact O-N 2.84Å; L190-L196 HydrophobicContact CD1-CD1 4.25Å; L190-L196 HydrophobicContact CD1-CD2 4.25Å; L190-L196 HydrophobicContact CD1-CG 4.21Å; L190-L196 HydrophobicContact CD2-CD1 3.91Å; L190-L196 HydrophobicContact CD2-CG 4.3Å; L190-L196 HydrophobicContact CG-CD1 4.23Å; L190-L196 HydrophobicContact CG-CG 4.11Å; L196-L330 HydrophobicContact CD1-CD2 4.33Å; L196-I333 HydrophobicContact CD1-CG2 4.47Å; L196-I333 HydrophobicContact CD2-CG2 3.8Å; L196-I348 HydrophobicContact CD2-CB 3.75Å; L196-I348 HydrophobicContact CD2-CD1 3.97Å; L196-I348 HydrophobicContact CD2-CG1 4.23Å; L196-I348 HydrophobicContact CD2-CG2 4.2Å; L196-F350 HydrophobicContact CB-CE2 4.14Å; L196-F350 HydrophobicContact CD1-CE2 4.31Å; L196-F350 HydrophobicContact CD2-CE2 4.4Å; L196-M365 HydrophobicContact CB-CE 3.81Å; L196-M365 WeakPolarHBondContact O-CE 3.39Å; L196-L368 HydrophobicContact CD1-CD1 3.56Å
197S95.3Very high91.1Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-115.9123.1179.9-570000109.9S186 K195 I348 Y349 F350S186-S197 CarbonylContact O-C 3.55Å; K195-S197 WeakPolarHBondContact CE-OG 3.43Å; S197-I348 PolarHBondContact N-O 3.42Å; S197-Y349 CarbonylContact O-C 3.54Å; S197-Y349 WeakPolarHBondContact O-CA 3.35Å; S197-F350 PolarHBondContact O-N 3.38Å
198L95.3Very high91.3Very high0 Ų045 Ų450%024%0.241CC..EExtended strand (participates in β ladder)trans-83.2124.8171-167.565.7000109.1I184 L185 S186 F350 L352 I358 Y361 L362 M365I184-L198 CarbonylContact C-O 3.57Å; I184-L198 WeakPolarHBondContact CA-O 3.4Å; L185-L198 HydrophobicContact CB-CD2 4.49Å; L185-L198 PolarHBondContact N-O 2.8Å; S186-L198 PolarHBondContact O-N 2.96Å; L198-F350 HydrophobicContact CD1-CB 3.78Å; L198-L352 HydrophobicContact CD1-CD1 3.46Å; L198-L352 VanDerWaalsContact CD1-CD1 3.46Å; L198-L352 HydrophobicContact CD1-CG 4.07Å; L198-L352 HydrophobicContact CG-CD1 4.43Å; L198-I358 HydrophobicContact CD2-CG2 4.47Å; L198-Y361 HydrophobicContact CD1-CD1 4.34Å; L198-Y361 HydrophobicContact CD1-CG 4.17Å; L198-L362 HydrophobicContact CD2-CB 4.47Å; L198-L362 HydrophobicContact CD2-CD2 3.49Å; L198-L362 VanDerWaalsContact CD2-CD2 3.49Å; L198-L362 HydrophobicContact CD2-CG 3.49Å; L198-L362 VanDerWaalsContact CD2-CG 3.49Å; L198-M365 HydrophobicContact CB-SD 3.97Å; L198-M365 HydrophobicContact CD1-SD 4.26Å
199T95.1Very high91.6Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-128.9121.3-172.3-58.90000110.7P178 F182 T183 F350 V351 L352P178-T199 HydrophobicContact CB-CG2 4.48Å; P178-T199 HydrophobicContact CG-CG2 4.04Å; F182-T199 HydrophobicContact CB-CG2 3.71Å; F182-T199 HydrophobicContact CD1-CG2 3.83Å; F182-T199 HydrophobicContact CG-CG2 4.26Å; T183-T199 CarbonylContact O-C 3.56Å; T183-T199 VanDerWaalsContact O-CA 3.32Å; T183-T199 WeakPolarHBondContact O-CA 3.46Å; T199-F350 PolarHBondContact N-O 3.03Å; T199-F350 VanDerWaalsContact O-O 3.14Å; T199-V351 WeakPolarHBondContact O-CA 2.67Å; T199-L352 PolarHBondContact O-N 2.88Å
200E94.3Very high92Very high77 Ų7747 Ų4736%0.3624%0.243SC..EExtended strand (participates in β ladder)trans-86135.5170178.1171.7-136.400110.1T183 L185 L352 I358T183-E200 PolarHBondContact N-O 3.28Å; T183-E200 PolarHBondContact O-N 3.08Å; L185-E200 HydrophobicContact CD1-CB 3.74Å; L185-E200 HydrophobicContact CD2-CB 4.25Å; L185-E200 HydrophobicContact CG-CB 3.9Å; E200-L352 WeakPolarHBondContact CA-O 3.4Å; E200-I358 HydrophobicContact CB-CD1 4.02Å; E200-I358 HydrophobicContact CG-CD1 3.84Å
201S94.4Very high92.6Very high13 Ų1346.8 Ų46.89%0.09124%0.242CC..  trans-158.5-177.2173-164.60000110.8G181 F182 L352G181-S201 WeakPolarHBondContact O-CB 3.22Å; G181-S201 PolarHBondContact O-OG 2.93Å; F182-S201 VanDerWaalsContact CD1-CB 3.43Å; F182-S201 WeakPolarHBondContact CD1-OG 3.32Å; F182-S201 WeakPolarHBondContact CE1-OG 3.28Å; S201-L352 PolarHBondContact N-O 2.99Å; S201-L352 VanDerWaalsContact N-O 3.1Å
202E92.8Very high93.7Very high104 Ų10441 Ų4149%0.48622%0.217SC..  trans-94.5143.9166.9-67.3163.3-124.300109.8S204 K205E202-S204 WeakPolarHBondContact CB-OG 3.48Å; E202-S204 PolarHBondContact O-N 2.78Å; E202-S204 VanDerWaalsContact O-N 3.15Å; E202-S204 PolarHBondContact OE2-OG 3.45Å; E202-K205 HydrophobicContact CB-CD 4.24Å; E202-K205 HydrophobicContact CB-CG 4.35Å; E202-K205 PolarHBondContact O-N 2.91Å; E202-K205 WeakPolarHBondContact OE1-CE 3.47Å; E202-K205 IonicContact OE1-NZ 2.72Å; E202-K205 PolarHBondContact OE1-NZ 3.31Å
203I92.6Very high94.5Very high66 Ų6636.2 Ų36.234%0.33819%0.192SC..G310 helixtrans-57.7-32.9178.3-164.3163.7000112.6K205 I206 G227 V228 A231 F353I203-K205 PolarHBondContact O-N 3.39Å; I203-I206 VanDerWaalsContact O-CG2 3.28Å; I203-I206 WeakPolarHBondContact O-CG2 3.47Å; I203-I206 PolarHBondContact O-N 3.07Å; I203-G227 VanDerWaalsContact CD1-C 3.47Å; I203-V228 HydrophobicContact CD1-CG2 4.35Å; I203-A231 WeakPolarHBondContact O-CB 3.47Å; I203-F353 HydrophobicContact CB-CD1 4Å; I203-F353 HydrophobicContact CB-CD2 3.98Å; I203-F353 HydrophobicContact CB-CE1 4.08Å; I203-F353 HydrophobicContact CB-CE2 4.06Å; I203-F353 HydrophobicContact CB-CG 3.95Å; I203-F353 HydrophobicContact CB-CZ 4.11Å; I203-F353 HydrophobicContact CD1-CD2 3.99Å; I203-F353 HydrophobicContact CD1-CE2 3.81Å; I203-F353 HydrophobicContact CD1-CZ 4.44Å; I203-F353 HydrophobicContact CG1-CD2 4.08Å; I203-F353 HydrophobicContact CG1-CE1 4.33Å; I203-F353 HydrophobicContact CG1-CE2 3.73Å; I203-F353 HydrophobicContact CG1-CZ 3.87Å; I203-F353 VanDerWaalsContact N-CD1 3.34Å
204S93.5Very high95.1Very high64 Ų6434.2 Ų34.245%0.44817%0.171SC..G310 helixtrans-59.2-22.2175.556.70000114.3E202E202-S204 WeakPolarHBondContact CB-OG 3.48Å; E202-S204 PolarHBondContact O-N 2.78Å; E202-S204 VanDerWaalsContact O-N 3.15Å; E202-S204 PolarHBondContact OE2-OG 3.45Å
205K94.7Very high95.4Very high66 Ų6633.7 Ų33.729%0.28717%0.169SC..G310 helixtrans-98.1-10.3-176-66.1174.6178.7164.20113.2F182 E202 I203 G207 T208F182-K205 HydrophobicContact CE2-CB 4.41Å; F182-K205 HydrophobicContact CZ-CB 4.11Å; F182-K205 VanDerWaalsContact CZ-O 3.26Å; F182-K205 WeakPolarHBondContact CZ-O 3.37Å; E202-K205 HydrophobicContact CB-CD 4.24Å; E202-K205 HydrophobicContact CB-CG 4.35Å; E202-K205 PolarHBondContact O-N 2.91Å; E202-K205 WeakPolarHBondContact OE1-CE 3.47Å; E202-K205 IonicContact OE1-NZ 2.72Å; E202-K205 PolarHBondContact OE1-NZ 3.31Å; I203-K205 PolarHBondContact O-N 3.39Å; K205-G207 PolarHBondContact O-N 2.81Å; K205-T208 PolarHBondContact O-N 2.78Å; K205-T208 PolarHBondContact O-OG1 2.88Å
206I95Very high95.5Very high0 Ų030.1 Ų30.10%015%0.153CC..G310 helixtrans-51.6-36.4-172.4-168.564.9000113.8I203 T208 I209 I214 V228 A231 L232 V351 F353I203-I206 VanDerWaalsContact O-CG2 3.28Å; I203-I206 WeakPolarHBondContact O-CG2 3.47Å; I203-I206 PolarHBondContact O-N 3.07Å; I206-T208 VanDerWaalsContact C-N 3.26Å; I206-T208 PolarHBondContact O-N 2.81Å; I206-I209 WeakPolarHBondContact O-CG2 3.34Å; I206-I209 PolarHBondContact O-N 2.72Å; I206-I214 HydrophobicContact CG1-CG2 4.15Å; I206-V228 HydrophobicContact CG1-CG1 4.48Å; I206-V228 HydrophobicContact CG2-CG1 4.33Å; I206-A231 HydrophobicContact CG2-CB 3.62Å; I206-L232 HydrophobicContact CG2-CD2 4.19Å; I206-L232 HydrophobicContact CG2-CG 4.35Å; I206-V351 HydrophobicContact CD1-CB 3.75Å; I206-V351 HydrophobicContact CD1-CG1 3.73Å; I206-V351 HydrophobicContact CD1-CG2 3.81Å; I206-F353 HydrophobicContact CD1-CZ 4.48Å
207G95.2Very high95.4Very high1 Ų131.7 Ų31.71%0.0116%0.164CC..G310 helixtrans-72.5-8.4177.400000115.6K205 M267 P268K205-G207 PolarHBondContact O-N 2.81Å; G207-M267 WeakPolarHBondContact O-CB 3.43Å; G207-M267 VanDerWaalsContact O-CG 3.3Å; G207-M267 WeakPolarHBondContact O-CG 3.32Å; G207-P268 WeakPolarHBondContact O-CD 3.45Å
208T96.1Very high95.3Very high71 Ų7132 Ų3244%0.43617%0.165SC..G310 helixtrans-102.67.717570.70000113.2K205 I206K205-T208 PolarHBondContact O-N 2.78Å; K205-T208 PolarHBondContact O-OG1 2.88Å; I206-T208 VanDerWaalsContact C-N 3.26Å; I206-T208 PolarHBondContact O-N 2.81Å
209I96.4Very high95.1Very high0 Ų034.8 Ų34.80%018%0.18CC..  trans-70.5134.8179.3-157.2179.1000111.5P178 F182 I206 V211 I214 A309 V351P178-I209 HydrophobicContact CB-CD1 3.9Å; P178-I209 HydrophobicContact CB-CG1 3.69Å; P178-I209 WeakPolarHBondContact O-CA 3.42Å; P178-I209 VanDerWaalsContact O-CG1 3.27Å; P178-I209 WeakPolarHBondContact O-CG1 3.32Å; F182-I209 HydrophobicContact CD1-CB 4.44Å; F182-I209 HydrophobicContact CD1-CD1 3.78Å; F182-I209 HydrophobicContact CD1-CG1 3.84Å; F182-I209 HydrophobicContact CD2-CB 4.44Å; F182-I209 HydrophobicContact CD2-CG1 4.1Å; F182-I209 HydrophobicContact CE1-CB 3.76Å; F182-I209 HydrophobicContact CE1-CD1 3.67Å; F182-I209 HydrophobicContact CE1-CG1 3.64Å; F182-I209 HydrophobicContact CE2-CB 3.76Å; F182-I209 HydrophobicContact CE2-CG1 3.91Å; F182-I209 HydrophobicContact CG-CD1 4.42Å; F182-I209 HydrophobicContact CG-CG1 4.07Å; F182-I209 HydrophobicContact CZ-CB 3.37Å; F182-I209 HydrophobicContact CZ-CD1 4.22Å; F182-I209 HydrophobicContact CZ-CG1 3.68Å; I206-I209 WeakPolarHBondContact O-CG2 3.34Å; I206-I209 PolarHBondContact O-N 2.72Å; I209-V211 HydrophobicContact CD1-CG1 4.03Å; I209-V211 HydrophobicContact CG1-CG1 4.07Å; I209-V211 HydrophobicContact CG2-CG1 4.23Å; I209-V211 HydrophobicContact CG2-CG2 3.71Å; I209-V211 PolarHBondContact O-N 2.72Å; I209-I214 HydrophobicContact CG2-CD1 3.94Å; I209-I214 HydrophobicContact CG2-CG1 3.99Å; I209-A309 HydrophobicContact CD1-CB 4.07Å; I209-A309 HydrophobicContact CG2-CB 4.22Å; I209-V351 HydrophobicContact CD1-CG2 3.58Å
210K96.6Very high95Very high128 Ų12836.3 Ų36.356%0.55719%0.193SC*.  trans-82.377.2177.7-64.6-176.3-177.6176.60110.9P178P178-K210 PolarHBondContact O-N 3.33Å
211V97.2Very high95Very high7 Ų736.9 Ų36.94%0.04220%0.196CC..SBendtrans-134.9166.4172.9-55.10000110I209 G213 I214 A269 S307 A309 Y349I209-V211 HydrophobicContact CD1-CG1 4.03Å; I209-V211 HydrophobicContact CG1-CG1 4.07Å; I209-V211 HydrophobicContact CG2-CG1 4.23Å; I209-V211 HydrophobicContact CG2-CG2 3.71Å; I209-V211 PolarHBondContact O-N 2.72Å; V211-G213 WeakPolarHBondContact CG2-O 3.34Å; V211-I214 HydrophobicContact CG2-CG1 3.93Å; V211-A269 HydrophobicContact CG2-CB 4.49Å; V211-A269 WeakPolarHBondContact O-CA 3.26Å; V211-S307 WeakPolarHBondContact CA-OG 3.4Å; V211-A309 HydrophobicContact CG1-CB 4.22Å; V211-A309 HydrophobicContact CG2-CB 3.92Å; V211-Y349 HydrophobicContact CG1-CD2 3.48Å; V211-Y349 VanDerWaalsContact CG1-CD2 3.48Å; V211-Y349 HydrophobicContact CG1-CE2 3.8Å; V211-Y349 HydrophobicContact CG1-CG 4.3Å
212E98.3Very high94.9Very high36 Ų3636.3 Ų36.317%0.16819%0.191CC..SBendtrans-81.3-29177.9-66.9-169.8-143.700113.9R270 F271 L305 K306 S307E212-R270 WeakPolarHBondContact O-CB 3.49Å; E212-R270 PolarHBondContact O-N 3.07Å; E212-R270 IonicContact OE2-NH1 3.72Å; E212-R270 PolarHBondContact OE2-NH1 3.41Å; E212-F271 PolarHBondContact O-N 2.87Å; E212-L305 HydrophobicContact CB-CB 4.03Å; E212-L305 HydrophobicContact CB-CD2 4.04Å; E212-L305 HydrophobicContact CB-CG 4.39Å; E212-K306 VanDerWaalsContact OE1-CB 3.31Å; E212-K306 WeakPolarHBondContact OE1-CB 3.45Å; E212-K306 WeakPolarHBondContact OE1-CD 3.04Å; E212-K306 WeakPolarHBondContact OE1-CG 3.39Å; E212-S307 PolarHBondContact N-O 2.76Å; E212-S307 PolarHBondContact N-OG 3.08Å
213G98.1Very high94.8Very high0 Ų032.4 Ų32.40%017%0.174CC..EExtended strand (participates in β ladder)trans-140.5145.217600000114.6V211 F271 S307 V308 A309V211-G213 WeakPolarHBondContact CG2-O 3.34Å; G213-F271 VanDerWaalsContact CA-O 3.31Å; G213-F271 WeakPolarHBondContact CA-O 3.26Å; G213-S307 PolarHBondContact N-O 3.46Å; G213-S307 VanDerWaalsContact N-O 3.07Å; G213-V308 CarbonylContact O-C 3.5Å; G213-V308 VanDerWaalsContact O-CA 3.24Å; G213-V308 WeakPolarHBondContact O-CA 3.37Å; G213-A309 PolarHBondContact O-N 3.49Å
214I98.2Very high94.8Very high0 Ų029.9 Ų29.90%016%0.161CC..EExtended strand (participates in β ladder)trans-116.2130.9176-55.8168000109.3I206 I209 V211 L232 M267 A269 F271 V272 I273I206-I214 HydrophobicContact CG1-CG2 4.15Å; I209-I214 HydrophobicContact CG2-CD1 3.94Å; I209-I214 HydrophobicContact CG2-CG1 3.99Å; V211-I214 HydrophobicContact CG2-CG1 3.93Å; I214-L232 HydrophobicContact CD1-CD2 3.9Å; I214-L232 HydrophobicContact CG2-CD1 4.48Å; I214-L232 HydrophobicContact CG2-CD2 4.16Å; I214-M267 HydrophobicContact CD1-SD 4.49Å; I214-A269 HydrophobicContact CD1-CB 3.68Å; I214-A269 HydrophobicContact CG1-CB 3.77Å; I214-F271 PolarHBondContact N-O 3.36Å; I214-V272 CarbonylContact O-C 3.55Å; I214-V272 WeakPolarHBondContact O-CA 3.47Å; I214-I273 PolarHBondContact O-N 2.84Å
215I97.3Very high94.4Very high0 Ų034.5 Ų34.50%017%0.173CC..EExtended strand (participates in β ladder)trans-79.8130.1171.9-53-50000109.3P217 I273 C296 V308 A309 F310 P311I215-P217 WeakPolarHBondContact O-CD 3.44Å; I215-I273 CarbonylContact C-O 3.59Å; I215-I273 WeakPolarHBondContact CA-O 3.38Å; I215-I273 HydrophobicContact CD1-CB 3.74Å; I215-I273 HydrophobicContact CD1-CD1 3.94Å; I215-I273 HydrophobicContact CD1-CG1 4.29Å; I215-I273 HydrophobicContact CD1-CG2 4.11Å; I215-C296 HydrophobicContact CD1-CB 3.75Å; I215-C296 HydrophobicContact CG1-CB 4.44Å; I215-V308 HydrophobicContact CD1-CG2 3.6Å; I215-V308 HydrophobicContact CG1-CG2 3.88Å; I215-A309 WeakPolarHBondContact CG1-O 3.14Å; I215-A309 PolarHBondContact N-O 3.32Å; I215-F310 HydrophobicContact CB-CD1 4.47Å; I215-F310 HydrophobicContact CD1-CZ 4.38Å; I215-F310 HydrophobicContact CG1-CD1 3.85Å; I215-F310 HydrophobicContact CG1-CD2 4.02Å; I215-F310 HydrophobicContact CG1-CE1 3.9Å; I215-F310 HydrophobicContact CG1-CE2 4.08Å; I215-F310 HydrophobicContact CG1-CG 3.92Å; I215-F310 HydrophobicContact CG1-CZ 4.02Å; I215-P311 VanDerWaalsContact O-CD 3.22Å; I215-P311 WeakPolarHBondContact O-CD 3.35Å; I215-P311 WeakPolarHBondContact O-CG 3.32Å
216N95.4Very high93.9Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-113.7101.4176.3-178.134.7000111.4T218 L224 G229 L232 V272 I273 H274 C275N216-T218 PolarHBondContact O-N 3.43Å; N216-L224 WeakPolarHBondContact ND2-CD2 3.48Å; N216-G229 PolarHBondContact OD1-N 2.63Å; N216-L232 HydrophobicContact CB-CD1 3.78Å; N216-V272 HydrophobicContact CB-CG1 3.48Å; N216-V272 VanDerWaalsContact CB-CG1 3.48Å; N216-I273 PolarHBondContact N-O 3.35Å; N216-H274 PolarHBondContact ND2-ND1 2.96Å; N216-H274 WeakPolarHBondContact O-CA 3.02Å; N216-C275 PolarHBondContact O-N 2.68Å
217P92.6Very high93.6Very high33 Ų3338.8 Ų38.821%0.21421%0.205CC..EExtended strand (participates in β ladder)trans-55.6117.7168.5-27.537.5000111.8I215 I277 P311 L313I215-P217 WeakPolarHBondContact O-CD 3.44Å; P217-I277 HydrophobicContact CB-CD1 3.57Å; P217-I277 HydrophobicContact CG-CD1 4.23Å; P217-P311 HydrophobicContact CG-CG 3.66Å; P217-L313 HydrophobicContact CB-CD2 4.32Å; P217-L313 HydrophobicContact CG-CD2 3.73Å
218T91.9Very high93.5Very high6 Ų639.4 Ų39.44%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-148.5-175.3-179.4-165.70000112.1N216 M222 D223 H274 C275 N276N216-T218 PolarHBondContact O-N 3.43Å; T218-M222 HydrophobicContact CG2-CB 4.39Å; T218-M222 HydrophobicContact CG2-CG 4.19Å; T218-M222 VanDerWaalsContact OG1-CA 3.28Å; T218-M222 WeakPolarHBondContact OG1-CA 3.43Å; T218-D223 PolarHBondContact OG1-N 2.89Å; T218-D223 VanDerWaalsContact OG1-N 3.12Å; T218-D223 PolarHBondContact OG1-O 3.35Å; T218-H274 HydrophobicContact CG2-CB 4.05Å; T218-C275 PolarHBondContact N-O 3.03Å; T218-N276 WeakPolarHBondContact O-CA 3.07Å
219N90.9Very high93.3Very high58 Ų5836.1 Ų36.131%0.3119%0.189SC..  trans-104.4-174.9174.558.615.3000111E221 M222 D223 N276N219-E221 PolarHBondContact O-N 3.25Å; N219-E221 VanDerWaalsContact O-N 3.14Å; N219-E221 PolarHBondContact OD1-N 3.46Å; N219-M222 PolarHBondContact O-N 3.35Å; N219-M222 PolarHBondContact OD1-N 3.02Å; N219-D223 PolarHBondContact ND2-OD2 3.23Å; N219-D223 PolarHBondContact OD1-N 3.13Å; N219-N276 WeakPolarHBondContact CA-OD1 3.45Å
220A93.8Very high93.2Very high32 Ų3238.6 Ų38.626%0.26421%0.207SC..THydrogen-bonded Turntrans-52.5-34.5177.300000113.5M222 P253 L254 N276A220-M222 VanDerWaalsContact C-N 3.33Å; A220-M222 PolarHBondContact O-N 2.93Å; A220-P253 HydrophobicContact CB-CB 4.2Å; A220-P253 CarbonylContact O-C 3.59Å; A220-P253 WeakPolarHBondContact O-CA 3.45Å; A220-L254 WeakPolarHBondContact CA-O 3.17Å; A220-L254 WeakPolarHBondContact CB-O 3.44Å; A220-L254 PolarHBondContact O-N 2.95Å; A220-N276 PolarHBondContact N-ND2 2.96Å
221E93.2Very high93.2Very high90 Ų9032.9 Ų32.942%0.42118%0.183SC..THydrogen-bonded Turntrans-81.4-4.5-179-66.1-57.9138.300113.9N219 D223 R248N219-E221 PolarHBondContact O-N 3.25Å; N219-E221 VanDerWaalsContact O-N 3.14Å; N219-E221 PolarHBondContact OD1-N 3.46Å; E221-D223 VanDerWaalsContact C-N 3.3Å; E221-D223 PolarHBondContact O-N 2.86Å; E221-R248 PolarHBondContact O-NE 3.19Å; E221-R248 PolarHBondContact O-NH2 2.87Å
222M93.7Very high93.2Very high0 Ų032.5 Ų32.50%018%0.181CC..  trans52.247.9-171-60.1178.2-86.300111.9T218 N219 A220 V244 L247 R248 L254 A260 H274T218-M222 HydrophobicContact CG2-CB 4.39Å; T218-M222 HydrophobicContact CG2-CG 4.19Å; T218-M222 VanDerWaalsContact OG1-CA 3.28Å; T218-M222 WeakPolarHBondContact OG1-CA 3.43Å; N219-M222 PolarHBondContact O-N 3.35Å; N219-M222 PolarHBondContact OD1-N 3.02Å; A220-M222 VanDerWaalsContact C-N 3.33Å; A220-M222 PolarHBondContact O-N 2.93Å; M222-V244 HydrophobicContact CB-CG1 4.24Å; M222-L247 HydrophobicContact CE-CG 4.25Å; M222-L247 HydrophobicContact SD-CD2 3.89Å; M222-L247 HydrophobicContact SD-CG 4.13Å; M222-R248 HydrophobicContact CE-CB 3.93Å; M222-R248 HydrophobicContact CE-CG 4.27Å; M222-R248 PolarHBondContact O-NH2 3.32Å; M222-L254 HydrophobicContact CE-CD2 4.13Å; M222-L254 HydrophobicContact CE-CG 4.2Å; M222-L254 HydrophobicContact CG-CD1 3.48Å; M222-L254 VanDerWaalsContact CG-CD1 3.48Å; M222-L254 HydrophobicContact CG-CG 3.84Å; M222-L254 HydrophobicContact SD-CD1 3.85Å; M222-L254 HydrophobicContact SD-CD2 4.19Å; M222-L254 HydrophobicContact SD-CG 4.07Å; M222-A260 HydrophobicContact SD-CB 3.85Å; M222-H274 HydrophobicContact CG-CB 4.13Å; M222-H274 HydrophobicContact SD-CB 4.1Å
223D89.6Confident93.1Very high23 Ų2334.2 Ų34.212%0.12319%0.189CC..  trans-73.8146174.69466.7000112.2T218 N219 E221 K225 R317T218-D223 PolarHBondContact OG1-N 2.89Å; T218-D223 VanDerWaalsContact OG1-N 3.12Å; T218-D223 PolarHBondContact OG1-O 3.35Å; N219-D223 PolarHBondContact ND2-OD2 3.23Å; N219-D223 PolarHBondContact OD1-N 3.13Å; E221-D223 VanDerWaalsContact C-N 3.3Å; E221-D223 PolarHBondContact O-N 2.86Å; D223-K225 HydrophobicContact CB-CG 4.32Å; D223-K225 WeakPolarHBondContact OD1-CB 3.46Å; D223-K225 PolarHBondContact OD1-N 3.01Å; D223-R317 IonicContact OD1-CZ 3.39Å; D223-R317 IonicContact OD1-NH1 2.88Å; D223-R317 PolarHBondContact OD1-NH1 3.14Å; D223-R317 IonicContact OD1-NH2 3.64Å; D223-R317 PolarHBondContact OD1-NH2 2.85Å; D223-R317 IonicContact OD2-NH1 2.77Å; D223-R317 PolarHBondContact OD2-NH1 2.9Å
224L92.8Very high93Very high12 Ų1242.7 Ų42.76%0.06323%0.226CC..  trans-109.316.1-179.5-58.6179.2000112.2N216 E226 G229 S230 E233 F240 V244N216-L224 WeakPolarHBondContact ND2-CD2 3.48Å; L224-E226 VanDerWaalsContact C-N 3.35Å; L224-E226 PolarHBondContact O-N 3.05Å; L224-G229 CarbonylContact O-C 3.5Å; L224-S230 WeakPolarHBondContact O-CA 3.44Å; L224-S230 WeakPolarHBondContact O-CB 3.26Å; L224-S230 PolarHBondContact O-N 3.08Å; L224-E233 HydrophobicContact CB-CB 4.23Å; L224-E233 WeakPolarHBondContact CB-OE2 3.24Å; L224-E233 HydrophobicContact CD1-CB 4.13Å; L224-E233 HydrophobicContact CD1-CG 4.42Å; L224-F240 HydrophobicContact CD1-CD1 4.25Å; L224-F240 HydrophobicContact CD1-CE1 3.73Å; L224-F240 HydrophobicContact CD1-CZ 4.49Å; L224-F240 HydrophobicContact CD2-CE1 4.28Å; L224-V244 HydrophobicContact CD1-CG1 4.48Å; L224-V244 HydrophobicContact CD1-CG2 4.33Å
225K86Confident92.9Very high162 Ų16244.4 Ų44.470%0.70424%0.239SC*.SBendtrans-72.8-23.3-161.5-64179.3179.1175.60114.8D223D223-K225 HydrophobicContact CB-CG 4.32Å; D223-K225 WeakPolarHBondContact OD1-CB 3.46Å; D223-K225 PolarHBondContact OD1-N 3.01Å
226E83.6Confident92.8Very high114 Ų11444.7 Ų44.753%0.53324%0.243SC..SBendtrans-141167.5-174.5-74159.2-129.300111.7L224 V228 G229 S230 R317L224-E226 VanDerWaalsContact C-N 3.35Å; L224-E226 PolarHBondContact O-N 3.05Å; E226-V228 PolarHBondContact O-N 3.41Å; E226-G229 PolarHBondContact O-N 3.5Å; E226-S230 PolarHBondContact O-N 3.43Å; E226-R317 IonicContact OE1-CZ 2.7Å; E226-R317 IonicContact OE1-NE 3.33Å; E226-R317 IonicContact OE1-NH2 3.46Å; E226-R317 PolarHBondContact OE1-NH2 2.85Å; E226-R317 IonicContact OE2-CZ 2.66Å; E226-R317 IonicContact OE2-NE 3.73Å; E226-R317 PolarHBondContact OE2-NE 3.45Å; E226-R317 IonicContact OE2-NH2 2.73Å; E226-R317 PolarHBondContact OE2-NH2 2.86Å
227G88.7Confident92.9Very high41 Ų4146.2 Ų46.242%0.42326%0.259SS..Hα-helixtrans57.5-128.4168.100000113.3I203 S230 A231I203-G227 VanDerWaalsContact CD1-C 3.47Å; G227-S230 PolarHBondContact O-N 2.77Å; G227-A231 PolarHBondContact O-N 2.84Å
228V92.4Very high93Very high14 Ų1453.7 Ų53.79%0.08528%0.283CS..Hα-helixtrans-63.9-44.2-179.2178.50000110.8I203 I206 E226 S230 A231 L232 P311 F353I203-V228 HydrophobicContact CD1-CG2 4.35Å; I206-V228 HydrophobicContact CG1-CG1 4.48Å; I206-V228 HydrophobicContact CG2-CG1 4.33Å; E226-V228 PolarHBondContact O-N 3.41Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.05Å; V228-A231 PolarHBondContact O-N 3.22Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.16Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 3.19Å; V228-P311 HydrophobicContact CG1-CG 4.31Å; V228-P311 HydrophobicContact CG2-CB 3.65Å; V228-P311 HydrophobicContact CG2-CG 3.89Å; V228-F353 HydrophobicContact CG2-CE2 4.35Å
229G93.6Very high93.2Very high3 Ų358.5 Ų58.53%0.03131%0.308CS..Hα-helixtrans-56.4-44179.400000112.4N216 L224 E226 A231 L232 E233N216-G229 PolarHBondContact OD1-N 2.63Å; L224-G229 CarbonylContact O-C 3.5Å; E226-G229 PolarHBondContact O-N 3.5Å; G229-A231 PolarHBondContact O-N 3.47Å; G229-L232 PolarHBondContact O-N 3.38Å; G229-E233 WeakPolarHBondContact O-CB 3.48Å; G229-E233 PolarHBondContact O-N 3.26Å
230S94.3Very high93.5Very high52 Ų5255.7 Ų55.736%0.36429%0.293SS..Hα-helixtrans-69.1-35.7-179.3-1790000112.4L224 E226 G227 V228 K234L224-S230 WeakPolarHBondContact O-CA 3.44Å; L224-S230 WeakPolarHBondContact O-CB 3.26Å; L224-S230 PolarHBondContact O-N 3.08Å; E226-S230 PolarHBondContact O-N 3.43Å; G227-S230 PolarHBondContact O-N 2.77Å; V228-S230 VanDerWaalsContact C-N 3.3Å; V228-S230 PolarHBondContact O-N 3.05Å; S230-K234 WeakPolarHBondContact O-CB 3.46Å; S230-K234 PolarHBondContact O-N 2.96Å
231A95.6Very high93.6Very high7 Ų756.4 Ų56.46%0.05829%0.292CS..Hα-helixtrans-70-36.1174.400000112.5I203 I206 G227 V228 G229 A235I203-A231 WeakPolarHBondContact O-CB 3.47Å; I206-A231 HydrophobicContact CG2-CB 3.62Å; G227-A231 PolarHBondContact O-N 2.84Å; V228-A231 PolarHBondContact O-N 3.22Å; G229-A231 PolarHBondContact O-N 3.47Å; A231-A235 WeakPolarHBondContact O-CB 3.05Å; A231-A235 PolarHBondContact O-N 3.38Å
232L96.8Very high93.7Very high0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-68.9-41.3173.2-66.3173.7000111.9I206 I214 N216 V228 G229 K234 A235 G236 F240 M267 V272I206-L232 HydrophobicContact CG2-CD2 4.19Å; I206-L232 HydrophobicContact CG2-CG 4.35Å; I214-L232 HydrophobicContact CD1-CD2 3.9Å; I214-L232 HydrophobicContact CG2-CD1 4.48Å; I214-L232 HydrophobicContact CG2-CD2 4.16Å; N216-L232 HydrophobicContact CB-CD1 3.78Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.16Å; V228-L232 WeakPolarHBondContact O-CG 3.31Å; V228-L232 PolarHBondContact O-N 3.19Å; G229-L232 PolarHBondContact O-N 3.38Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-A235 PolarHBondContact O-N 2.99Å; L232-G236 PolarHBondContact O-N 3.3Å; L232-F240 HydrophobicContact CB-CE1 3.68Å; L232-F240 HydrophobicContact CB-CZ 4.04Å; L232-M267 HydrophobicContact CB-SD 4.46Å; L232-M267 HydrophobicContact CD2-SD 3.57Å; L232-M267 VanDerWaalsContact CD2-SD 3.57Å; L232-V272 HydrophobicContact CD1-CG1 3.91Å; L232-V272 HydrophobicContact CD1-CG2 4.41Å
233E96.6Very high93.8Very high72 Ų7258.1 Ų58.134%0.33631%0.305SS..Hα-helixtrans-58.1-46172.6-171.8-178.715100111.2L224 G229 A235 G237 L241L224-E233 HydrophobicContact CB-CB 4.23Å; L224-E233 WeakPolarHBondContact CB-OE2 3.24Å; L224-E233 HydrophobicContact CD1-CB 4.13Å; L224-E233 HydrophobicContact CD1-CG 4.42Å; G229-E233 WeakPolarHBondContact O-CB 3.48Å; G229-E233 PolarHBondContact O-N 3.26Å; E233-A235 VanDerWaalsContact C-N 3.33Å; E233-A235 PolarHBondContact O-N 2.98Å; E233-G237 WeakPolarHBondContact O-CA 3.44Å; E233-G237 PolarHBondContact O-N 3.29Å; E233-L241 HydrophobicContact CG-CD1 3.78Å; E233-L241 HydrophobicContact CG-CG 4.08Å; E233-L241 VanDerWaalsContact OE1-CD1 3.31Å; E233-L241 WeakPolarHBondContact OE1-CD1 3.23Å
234K96.4Very high94.1Very high178 Ų17857.2 Ų57.277%0.77430%0.3SS*.Hα-helixtrans-65.2-34178-173.1177.6179.4-177.10113.2S230 L232S230-K234 WeakPolarHBondContact O-CB 3.46Å; S230-K234 PolarHBondContact O-N 2.96Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 3.21Å
235A96.1Very high94.2Very high35 Ų3561.6 Ų61.629%0.28932%0.319SS..Hα-helixtrans-79.4-47.6179.500000112.4A231 L232 E233 M267A231-A235 WeakPolarHBondContact O-CB 3.05Å; A231-A235 PolarHBondContact O-N 3.38Å; L232-A235 PolarHBondContact O-N 2.99Å; E233-A235 VanDerWaalsContact C-N 3.33Å; E233-A235 PolarHBondContact O-N 2.98Å; A235-M267 HydrophobicContact CB-CG 3.92Å; A235-M267 HydrophobicContact CB-SD 4.23Å
236G95.7Very high94.7Very high7 Ų758.7 Ų58.77%0.07231%0.307CS..Hα-helixtrans-82.7-15.3-176.900000115.3L232 S265L232-G236 PolarHBondContact O-N 3.3Å; G236-S265 WeakPolarHBondContact CA-O 3.3Å
237G96.4Very high95.2Very high32 Ų3254.4 Ų54.433%0.3329%0.288SS..Hα-helixtrans63.1-151.4176.700000113.6E233 D239 L241E233-G237 WeakPolarHBondContact O-CA 3.44Å; E233-G237 PolarHBondContact O-N 3.29Å; G237-D239 PolarHBondContact O-N 2.77Å; G237-L241 PolarHBondContact O-N 3.26Å
238R95.6Very high95.5Very high190 Ų19056.7 Ų56.772%0.71728%0.284SS*.Hα-helixtrans-61.5-44-173.4-174-179.9-66.6149.2-1.2112.4F240 L241 E242R238-F240 VanDerWaalsContact C-N 3.34Å; R238-F240 PolarHBondContact O-N 2.97Å; R238-L241 CarbonylContact O-C 3.17Å; R238-L241 WeakPolarHBondContact O-CA 3.38Å; R238-L241 VanDerWaalsContact O-CB 3.28Å; R238-L241 WeakPolarHBondContact O-CB 3.43Å; R238-L241 PolarHBondContact O-N 2.98Å; R238-L241 VanDerWaalsContact O-N 3.07Å; R238-E242 WeakPolarHBondContact CD-OE1 3.33Å; R238-E242 HydrophobicContact CG-CG 4.4Å; R238-E242 VanDerWaalsContact CG-OE1 3.28Å; R238-E242 WeakPolarHBondContact CG-OE1 3.47Å; R238-E242 PolarHBondContact O-N 3.16Å
239D94.9Very high95.6Very high106 Ų10663.3 Ų63.357%0.56731%0.312SS*.Hα-helixtrans-63.3-39.6-174.4-56.89.6000111.9G237 E242 A243G237-D239 PolarHBondContact O-N 2.77Å; D239-E242 PolarHBondContact O-N 2.91Å; D239-A243 WeakPolarHBondContact O-CB 3.42Å; D239-A243 PolarHBondContact O-N 2.71Å
240F97.1Very high95.7Very high0 Ų067.3 Ų67.30%034%0.344CS..Hα-helixtrans-66.9-41.4172.9175.6-115.8000111.8L224 L232 R238 E242 A243 V244 S262 Q263 M267 V272 H274L224-F240 HydrophobicContact CD1-CD1 4.25Å; L224-F240 HydrophobicContact CD1-CE1 3.73Å; L224-F240 HydrophobicContact CD1-CZ 4.49Å; L224-F240 HydrophobicContact CD2-CE1 4.28Å; L232-F240 HydrophobicContact CB-CE1 3.68Å; L232-F240 HydrophobicContact CB-CZ 4.04Å; R238-F240 VanDerWaalsContact C-N 3.34Å; R238-F240 PolarHBondContact O-N 2.97Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 3.42Å; F240-A243 PolarHBondContact O-N 2.83Å; F240-V244 HydrophobicContact CD2-CG2 4.27Å; F240-V244 HydrophobicContact CE1-CG2 4.31Å; F240-V244 HydrophobicContact CE2-CG2 3.81Å; F240-V244 HydrophobicContact CZ-CG2 3.83Å; F240-V244 WeakPolarHBondContact O-CG2 3.44Å; F240-V244 PolarHBondContact O-N 3.4Å; F240-S262 WeakPolarHBondContact CE2-OG 3.2Å; F240-Q263 WeakPolarHBondContact CD2-O 3.3Å; F240-M267 HydrophobicContact CB-CE 4.3Å; F240-M267 HydrophobicContact CD1-CE 4.06Å; F240-M267 HydrophobicContact CD2-CE 3.56Å; F240-M267 HydrophobicContact CE1-CE 4.28Å; F240-M267 HydrophobicContact CE2-CE 3.81Å; F240-M267 HydrophobicContact CG-CE 3.7Å; F240-M267 HydrophobicContact CZ-CE 4.16Å; F240-V272 HydrophobicContact CD2-CG2 4.48Å; F240-V272 HydrophobicContact CE2-CB 3.91Å; F240-V272 HydrophobicContact CE2-CG1 4.43Å; F240-V272 HydrophobicContact CE2-CG2 3.53Å; F240-V272 HydrophobicContact CZ-CB 4.24Å; F240-V272 HydrophobicContact CZ-CG1 4.27Å; F240-V272 HydrophobicContact CZ-CG2 3.88Å; F240-H274 AromaticContact CE2-CE1 3.68Å; F240-H274 AromaticContact CE2-NE2 3.81Å; F240-H274 AromaticContact CZ-CE1 3.11Å; F240-H274 WeakPolarHBondContact CZ-CE1 3.2Å
241L95.9Very high95.6Very high46 Ų4670 Ų7024%0.24135%0.351CS..Hα-helixtrans-62.6-36.3177.6-138.5171.5000111.7E233 G237 R238 K245E233-L241 HydrophobicContact CG-CD1 3.78Å; E233-L241 HydrophobicContact CG-CG 4.08Å; E233-L241 VanDerWaalsContact OE1-CD1 3.31Å; E233-L241 WeakPolarHBondContact OE1-CD1 3.23Å; G237-L241 PolarHBondContact O-N 3.26Å; R238-L241 CarbonylContact O-C 3.17Å; R238-L241 WeakPolarHBondContact O-CA 3.38Å; R238-L241 VanDerWaalsContact O-CB 3.28Å; R238-L241 WeakPolarHBondContact O-CB 3.43Å; R238-L241 PolarHBondContact O-N 2.98Å; R238-L241 VanDerWaalsContact O-N 3.07Å; L241-K245 HydrophobicContact CD2-CD 4.3Å; L241-K245 WeakPolarHBondContact O-CD 3.49Å; L241-K245 VanDerWaalsContact O-CG 3.28Å; L241-K245 WeakPolarHBondContact O-CG 3.3Å; L241-K245 PolarHBondContact O-N 3.28Å
242E95.6Very high95.5Very high98 Ų9870.7 Ų70.746%0.45836%0.359SS..Hα-helixtrans-71.3-43.6172.3-73.1176.2-164.300111.9R238 D239 F240 V244 K245 E246R238-E242 WeakPolarHBondContact CD-OE1 3.33Å; R238-E242 HydrophobicContact CG-CG 4.4Å; R238-E242 VanDerWaalsContact CG-OE1 3.28Å; R238-E242 WeakPolarHBondContact CG-OE1 3.47Å; R238-E242 PolarHBondContact O-N 3.16Å; D239-E242 PolarHBondContact O-N 2.91Å; F240-E242 VanDerWaalsContact C-N 3.29Å; F240-E242 PolarHBondContact O-N 3.42Å; E242-V244 VanDerWaalsContact C-N 3.3Å; E242-V244 PolarHBondContact O-N 2.99Å; E242-K245 WeakPolarHBondContact O-CB 3.35Å; E242-K245 PolarHBondContact O-N 3.32Å; E242-K245 VanDerWaalsContact O-N 3.09Å; E242-E246 PolarHBondContact O-N 2.84Å
243A95.8Very high95.4Very high28 Ų2874.8 Ų74.823%0.23139%0.386CS..Hα-helixtrans-57.7-39.5175.100000112.9D239 F240 L247D239-A243 WeakPolarHBondContact O-CB 3.42Å; D239-A243 PolarHBondContact O-N 2.71Å; F240-A243 PolarHBondContact O-N 2.83Å; A243-L247 VanDerWaalsContact O-CB 3.32Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 PolarHBondContact O-N 3.12Å
244V96.4Very high95.3Very high4 Ų471.9 Ų71.92%0.02437%0.373CS..Hα-helixtrans-71.7-34.4175.8176.70000112.1M222 L224 F240 E242 R248 H274M222-V244 HydrophobicContact CB-CG1 4.24Å; L224-V244 HydrophobicContact CD1-CG1 4.48Å; L224-V244 HydrophobicContact CD1-CG2 4.33Å; F240-V244 HydrophobicContact CD2-CG2 4.27Å; F240-V244 HydrophobicContact CE1-CG2 4.31Å; F240-V244 HydrophobicContact CE2-CG2 3.81Å; F240-V244 HydrophobicContact CZ-CG2 3.83Å; F240-V244 WeakPolarHBondContact O-CG2 3.44Å; F240-V244 PolarHBondContact O-N 3.4Å; E242-V244 VanDerWaalsContact C-N 3.3Å; E242-V244 PolarHBondContact O-N 2.99Å; V244-R248 PolarHBondContact O-N 3.36Å; V244-H274 WeakPolarHBondContact CG2-CE1 3.46Å; V244-H274 WeakPolarHBondContact CG2-NE2 3.46Å
245K95.1Very high95.3Very high104 Ų10470.6 Ų70.645%0.45237%0.369SS..Hα-helixtrans-65-45.9173.8-76.8166.2179.5168.50112.2L241 E242 R248 K249L241-K245 HydrophobicContact CD2-CD 4.3Å; L241-K245 WeakPolarHBondContact O-CD 3.49Å; L241-K245 VanDerWaalsContact O-CG 3.28Å; L241-K245 WeakPolarHBondContact O-CG 3.3Å; L241-K245 PolarHBondContact O-N 3.28Å; E242-K245 WeakPolarHBondContact O-CB 3.35Å; E242-K245 PolarHBondContact O-N 3.32Å; E242-K245 VanDerWaalsContact O-N 3.09Å; K245-R248 PolarHBondContact O-N 2.77Å; K245-K249 WeakPolarHBondContact O-CG 3.33Å; K245-K249 PolarHBondContact O-N 2.6Å
246E95.4Very high95.2Very high101 Ų10172.1 Ų72.147%0.47238%0.375SS..Hα-helixtrans-67.2-37.3177.4-63.2-46.7119.500111.6E242 R248 K249 A250E242-E246 PolarHBondContact O-N 2.84Å; E246-R248 PolarHBondContact O-N 2.94Å; E246-K249 PolarHBondContact O-N 2.82Å; E246-K249 WeakPolarHBondContact OE1-CE 3.19Å; E246-K249 IonicContact OE1-NZ 3.07Å; E246-K249 PolarHBondContact OE1-NZ 3.39Å; E246-K249 WeakPolarHBondContact OE2-CD 3.35Å; E246-K249 IonicContact OE2-NZ 3.45Å; E246-K249 PolarHBondContact OE2-NZ 2.91Å; E246-A250 WeakPolarHBondContact O-CB 3.5Å; E246-A250 PolarHBondContact O-N 2.8Å
247L95.6Very high95.2Very high24 Ų2471.9 Ų71.913%0.12637%0.372CS..Hα-helixtrans-58.2-45.6172.1-174.462.8000112M222 A243 K249 A250 Q251 A260M222-L247 HydrophobicContact CE-CG 4.25Å; M222-L247 HydrophobicContact SD-CD2 3.89Å; M222-L247 HydrophobicContact SD-CG 4.13Å; A243-L247 VanDerWaalsContact O-CB 3.32Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 PolarHBondContact O-N 3.12Å; L247-K249 PolarHBondContact O-N 3.43Å; L247-A250 PolarHBondContact O-N 3.24Å; L247-Q251 HydrophobicContact CD1-CG 4.45Å; L247-Q251 PolarHBondContact O-N 3.13Å; L247-A260 HydrophobicContact CD1-CB 4.44Å; L247-A260 HydrophobicContact CD2-CB 3.98Å; L247-A260 HydrophobicContact CG-CB 4.31Å
248R94.5Very high95.1Very high89 Ų8971.9 Ų71.934%0.33637%0.367SS..Hα-helixtrans-61.7-40.3175.5-168.9-170.8-60.4165.6-0.1112.5E221 M222 V244 K245 E246 A250 G252E221-R248 PolarHBondContact O-NE 3.19Å; E221-R248 PolarHBondContact O-NH2 2.87Å; M222-R248 HydrophobicContact CE-CB 3.93Å; M222-R248 HydrophobicContact CE-CG 4.27Å; M222-R248 PolarHBondContact O-NH2 3.32Å; V244-R248 PolarHBondContact O-N 3.36Å; K245-R248 PolarHBondContact O-N 2.77Å; E246-R248 PolarHBondContact O-N 2.94Å; R248-A250 VanDerWaalsContact C-N 3.34Å; R248-G252 VanDerWaalsContact O-CA 3.26Å; R248-G252 WeakPolarHBondContact O-CA 3.22Å; R248-G252 PolarHBondContact O-N 3.35Å
249K94.8Very high95.2Very high153 Ų15364.3 Ų64.367%0.66534%0.342SS*.Hα-helixtrans-65.1-37.9174.9-68.9173.6-174.4170.70112.3K245 E246 L247K245-K249 WeakPolarHBondContact O-CG 3.33Å; K245-K249 PolarHBondContact O-N 2.6Å; E246-K249 PolarHBondContact O-N 2.82Å; E246-K249 WeakPolarHBondContact OE1-CE 3.19Å; E246-K249 IonicContact OE1-NZ 3.07Å; E246-K249 PolarHBondContact OE1-NZ 3.39Å; E246-K249 WeakPolarHBondContact OE2-CD 3.35Å; E246-K249 IonicContact OE2-NZ 3.45Å; E246-K249 PolarHBondContact OE2-NZ 2.91Å; L247-K249 PolarHBondContact O-N 3.43Å
250A94.9Very high95.3Very high87 Ų8759.4 Ų59.472%0.71932%0.316SS*.Hα-helixtrans-79-37.7-174.400000113.8E246 L247 R248E246-A250 WeakPolarHBondContact O-CB 3.5Å; E246-A250 PolarHBondContact O-N 2.8Å; L247-A250 PolarHBondContact O-N 3.24Å; R248-A250 VanDerWaalsContact C-N 3.34Å
251Q92.3Very high95.4Very high108 Ų10861 Ų6151%0.50533%0.326SS..Hα-helixtrans-103.5-17.8-178.5-72.1-174.6-59.800114.4L247L247-Q251 HydrophobicContact CD1-CG 4.45Å; L247-Q251 PolarHBondContact O-N 3.13Å
252G92.8Very high95.4Very high22 Ų2259 Ų5923%0.22732%0.316CS..  trans71.7-161.2-17100000112.8R248R248-G252 VanDerWaalsContact O-CA 3.26Å; R248-G252 WeakPolarHBondContact O-CA 3.22Å; R248-G252 PolarHBondContact O-N 3.35Å
253P95.3Very high95.5Very high86 Ų8659.6 Ų59.656%0.55832%0.318SS*.SBendtrans-67.9136.9179-1932.6000112.3A220A220-P253 HydrophobicContact CB-CB 4.2Å; A220-P253 CarbonylContact O-C 3.59Å; A220-P253 WeakPolarHBondContact O-CA 3.45Å
254L94.7Very high95.5Very high12 Ų1258.5 Ų58.56%0.06331%0.309CS..PPolyproline II helixtrans-73.6129176.4-58.1-172.7000111.6A220 M222 A260 H274 N276A220-L254 WeakPolarHBondContact CA-O 3.17Å; A220-L254 WeakPolarHBondContact CB-O 3.44Å; A220-L254 PolarHBondContact O-N 2.95Å; M222-L254 HydrophobicContact CE-CD2 4.13Å; M222-L254 HydrophobicContact CE-CG 4.2Å; M222-L254 HydrophobicContact CG-CD1 3.48Å; M222-L254 VanDerWaalsContact CG-CD1 3.48Å; M222-L254 HydrophobicContact CG-CG 3.84Å; M222-L254 HydrophobicContact SD-CD1 3.85Å; M222-L254 HydrophobicContact SD-CD2 4.19Å; M222-L254 HydrophobicContact SD-CG 4.07Å; L254-A260 HydrophobicContact CD1-CB 4.09Å; L254-A260 HydrophobicContact CD2-CB 3.59Å; L254-A260 HydrophobicContact CG-CB 4.46Å; L254-H274 HydrophobicContact CD1-CB 4.39Å; L254-N276 HydrophobicContact CB-CB 3.82Å; L254-N276 HydrophobicContact CD1-CB 4.44Å; L254-N276 PolarHBondContact O-ND2 3.5Å
255E95.9Very high95.3Very high151 Ų15160.3 Ų60.371%0.70632%0.322SS*.PPolyproline II helixtrans-65.1155.1167.5-63.4-173.417000111.7A257 S258 N276E255-A257 PolarHBondContact O-N 3.47Å; E255-S258 PolarHBondContact N-OG 3.46Å; E255-S258 VanDerWaalsContact N-OG 3.08Å; E255-S258 VanDerWaalsContact O-CB 3.31Å; E255-S258 WeakPolarHBondContact O-CB 3.45Å; E255-S258 PolarHBondContact O-N 3.38Å; E255-S258 PolarHBondContact O-OG 2.89Å; E255-N276 WeakPolarHBondContact O-CB 3.07Å; E255-N276 PolarHBondContact O-ND2 3.32Å
256V94.8Very high95.1Very high67 Ų6758.6 Ų58.641%0.40633%0.334SS..THydrogen-bonded Turntrans-61134174.8177.20000110.2S258 P278V256-S258 PolarHBondContact O-N 2.92Å; V256-P278 HydrophobicContact CG1-CB 3.81Å
257A94.4Very high95.1Very high2 Ų254.8 Ų54.82%0.01732%0.317CS..THydrogen-bonded Turntrans61.922.5-172.800000115.7E255 N276 Q288 K291 T292E255-A257 PolarHBondContact O-N 3.47Å; A257-N276 WeakPolarHBondContact CA-O 3.41Å; A257-N276 PolarHBondContact N-O 3.29Å; A257-Q288 HydrophobicContact CB-CB 4.22Å; A257-Q288 VanDerWaalsContact CB-O 3.24Å; A257-Q288 WeakPolarHBondContact CB-O 3.38Å; A257-K291 HydrophobicContact CB-CB 4.12Å; A257-K291 HydrophobicContact CB-CD 4.01Å; A257-K291 HydrophobicContact CB-CG 4.14Å; A257-T292 VanDerWaalsContact CA-OG1 3.3Å; A257-T292 WeakPolarHBondContact CA-OG1 3.46Å; A257-T292 WeakPolarHBondContact CB-OG1 3.39Å
258S95.3Very high95.1Very high31 Ų3157.2 Ų57.222%0.21733%0.334CS..  trans-100166.7164.777.20000112E255 V256 N276E255-S258 PolarHBondContact N-OG 3.46Å; E255-S258 VanDerWaalsContact N-OG 3.08Å; E255-S258 VanDerWaalsContact O-CB 3.31Å; E255-S258 WeakPolarHBondContact O-CB 3.45Å; E255-S258 PolarHBondContact O-N 3.38Å; E255-S258 PolarHBondContact O-OG 2.89Å; V256-S258 PolarHBondContact O-N 2.92Å; S258-N276 PolarHBondContact O-N 3.42Å; S258-N276 VanDerWaalsContact O-N 3.13Å
259V97.5Very high95.2Very high32 Ų3253.2 Ų53.219%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-136.8154.9-178.5-56.70000111.9I273 H274 C275 A295 A299V259-I273 HydrophobicContact CB-CG2 4.12Å; V259-I273 HydrophobicContact CG1-CG2 4.48Å; V259-H274 CarbonylContact C-O 3.52Å; V259-H274 WeakPolarHBondContact CA-O 3.49Å; V259-H274 WeakPolarHBondContact CB-O 3.47Å; V259-C275 HydrophobicContact CG1-CB 3.75Å; V259-A295 HydrophobicContact CG1-CB 3.75Å; V259-A295 HydrophobicContact CG2-CB 4.07Å; V259-A299 HydrophobicContact CG2-CB 3.86Å
260A97.7Very high95.4Very high2 Ų251.9 Ų51.92%0.01731%0.311CS..EExtended strand (participates in β ladder)trans-139.2151.1176.500000110.6M222 L247 L254 I273 H274M222-A260 HydrophobicContact SD-CB 3.85Å; L247-A260 HydrophobicContact CD1-CB 4.44Å; L247-A260 HydrophobicContact CD2-CB 3.98Å; L247-A260 HydrophobicContact CG-CB 4.31Å; L254-A260 HydrophobicContact CD1-CB 4.09Å; L254-A260 HydrophobicContact CD2-CB 3.59Å; L254-A260 HydrophobicContact CG-CB 4.46Å; A260-I273 CarbonylContact O-C 3.47Å; A260-I273 WeakPolarHBondContact O-CA 3.46Å; A260-H274 PolarHBondContact N-O 3.38Å; A260-H274 PolarHBondContact O-N 3.18Å
261V98.2Very high95.5Very high34 Ų3448.8 Ų48.821%0.20628%0.281CS..EExtended strand (participates in β ladder)trans-125117.8-171.3-1710000111F271 V272 I273 A299 K303V261-F271 HydrophobicContact CG1-CB 3.84Å; V261-F271 HydrophobicContact CG1-CD1 3.71Å; V261-F271 HydrophobicContact CG1-CG 4.04Å; V261-V272 WeakPolarHBondContact CA-O 3.33Å; V261-I273 HydrophobicContact CG1-CG1 4.39Å; V261-I273 HydrophobicContact CG2-CG1 4.23Å; V261-I273 HydrophobicContact CG2-CG2 4.47Å; V261-A299 HydrophobicContact CG2-CB 3.97Å; V261-K303 HydrophobicContact CG1-CG 4.36Å
262S97.4Very high95.8Very high5 Ų543.6 Ų43.64%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-103.1161.4170.672.80000111.2F240 F271 V272 H274F240-S262 WeakPolarHBondContact CE2-OG 3.2Å; S262-F271 VanDerWaalsContact O-CA 3.31Å; S262-F271 WeakPolarHBondContact O-CA 3.31Å; S262-V272 PolarHBondContact N-O 3.21Å; S262-V272 PolarHBondContact O-N 3.11Å; S262-H274 WeakPolarHBondContact CB-NE2 3.33Å; S262-H274 PolarHBondContact OG-NE2 2.88Å
263Q96.6Very high96.1Very high109 Ų10942.6 Ų42.651%0.50925%0.246SC..EExtended strand (participates in β ladder)trans-64.8145161.5-65.2-66.5-1800109.5F240 S265 R270F240-Q263 WeakPolarHBondContact CD2-O 3.3Å; Q263-S265 VanDerWaalsContact C-N 3.34Å; Q263-S265 PolarHBondContact O-N 3.37Å; Q263-R270 PolarHBondContact OE1-O 3.12Å
264A95.3Very high96.1Very high5 Ų538.5 Ų38.54%0.04122%0.22CC..  trans-96.452.3176.600000111.4G266 M267 A269 R270 V272A264-G266 PolarHBondContact O-N 2.93Å; A264-M267 HydrophobicContact CB-CB 4.33Å; A264-M267 HydrophobicContact CB-CE 3.92Å; A264-M267 WeakPolarHBondContact O-CB 3.43Å; A264-M267 PolarHBondContact O-N 2.92Å; A264-M267 VanDerWaalsContact O-N 3.1Å; A264-A269 HydrophobicContact CB-CB 4.12Å; A264-A269 WeakPolarHBondContact CB-O 3.44Å; A264-R270 PolarHBondContact N-O 3.41Å; A264-V272 HydrophobicContact CB-CG2 3.88Å
265S92.3Very high96.2Very high43 Ų4337.9 Ų37.930%0.30122%0.217SC..THydrogen-bonded Turntrans-50.9137.2179-54.90000111.6G236 Q263 M267G236-S265 WeakPolarHBondContact CA-O 3.3Å; Q263-S265 VanDerWaalsContact C-N 3.34Å; Q263-S265 PolarHBondContact O-N 3.37Å; S265-M267 VanDerWaalsContact C-N 3.27Å; S265-M267 PolarHBondContact O-N 3.41Å
266G91.3Very high96.1Very high68 Ų6831.4 Ų31.470%0.70119%0.186SC*.THydrogen-bonded Turntrans77.5-1.5-178.100000115.9A264A264-G266 PolarHBondContact O-N 2.93Å
267M96.1Very high95.9Very high21 Ų2128.4 Ų28.410%0.10317%0.168CC..SBendtrans-114.8160.6-179.7-64.7175.4-91.700111.7G207 I214 L232 A235 F240 A264 S265 A269 V272G207-M267 WeakPolarHBondContact O-CB 3.43Å; G207-M267 VanDerWaalsContact O-CG 3.3Å; G207-M267 WeakPolarHBondContact O-CG 3.32Å; I214-M267 HydrophobicContact CD1-SD 4.49Å; L232-M267 HydrophobicContact CB-SD 4.46Å; L232-M267 HydrophobicContact CD2-SD 3.57Å; L232-M267 VanDerWaalsContact CD2-SD 3.57Å; A235-M267 HydrophobicContact CB-CG 3.92Å; A235-M267 HydrophobicContact CB-SD 4.23Å; F240-M267 HydrophobicContact CB-CE 4.3Å; F240-M267 HydrophobicContact CD1-CE 4.06Å; F240-M267 HydrophobicContact CD2-CE 3.56Å; F240-M267 HydrophobicContact CE1-CE 4.28Å; F240-M267 HydrophobicContact CE2-CE 3.81Å; F240-M267 HydrophobicContact CG-CE 3.7Å; F240-M267 HydrophobicContact CZ-CE 4.16Å; A264-M267 HydrophobicContact CB-CB 4.33Å; A264-M267 HydrophobicContact CB-CE 3.92Å; A264-M267 WeakPolarHBondContact O-CB 3.43Å; A264-M267 PolarHBondContact O-N 2.92Å; A264-M267 VanDerWaalsContact O-N 3.1Å; S265-M267 VanDerWaalsContact C-N 3.27Å; S265-M267 PolarHBondContact O-N 3.41Å; M267-A269 PolarHBondContact O-N 2.93Å; M267-V272 HydrophobicContact CE-CG2 3.99Å
268P95.5Very high95.8Very high74 Ų7428.3 Ų28.348%0.48117%0.167SC..SBendtrans-68.8-22.2171.6-19.334.1000113.1G207G207-P268 WeakPolarHBondContact O-CD 3.45Å
269A96.9Very high95.6Very high6 Ų631.7 Ų31.75%0.0518%0.18CC..SBendtrans-69.8156.5172.300000111.9V211 I214 A264 M267V211-A269 HydrophobicContact CG2-CB 4.49Å; V211-A269 WeakPolarHBondContact O-CA 3.26Å; I214-A269 HydrophobicContact CD1-CB 3.68Å; I214-A269 HydrophobicContact CG1-CB 3.77Å; A264-A269 HydrophobicContact CB-CB 4.12Å; A264-A269 WeakPolarHBondContact CB-O 3.44Å; M267-A269 PolarHBondContact O-N 2.93Å
270R97.4Very high95.4Very high124 Ų12434.7 Ų34.747%0.46819%0.188SC..SBendtrans-91.9-37.9178.6-59.1168.762.6-156.3-2.5111E212 Q263 A264E212-R270 WeakPolarHBondContact O-CB 3.49Å; E212-R270 PolarHBondContact O-N 3.07Å; E212-R270 IonicContact OE2-NH1 3.72Å; E212-R270 PolarHBondContact OE2-NH1 3.41Å; Q263-R270 PolarHBondContact OE1-O 3.12Å; A264-R270 PolarHBondContact N-O 3.41Å
271F98.5Very high95Very high22 Ų2237.8 Ų37.810%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-135.1149-176.3-60.1-82.2000112.8E212 G213 I214 V261 S262 K303 L305E212-F271 PolarHBondContact O-N 2.87Å; G213-F271 VanDerWaalsContact CA-O 3.31Å; G213-F271 WeakPolarHBondContact CA-O 3.26Å; I214-F271 PolarHBondContact N-O 3.36Å; V261-F271 HydrophobicContact CG1-CB 3.84Å; V261-F271 HydrophobicContact CG1-CD1 3.71Å; V261-F271 HydrophobicContact CG1-CG 4.04Å; S262-F271 VanDerWaalsContact O-CA 3.31Å; S262-F271 WeakPolarHBondContact O-CA 3.31Å; F271-K303 HydrophobicContact CD1-CG 4.5Å; F271-K303 HydrophobicContact CD2-CB 4.16Å; F271-K303 HydrophobicContact CD2-CG 4.34Å; F271-K303 HydrophobicContact CE1-CD 4.21Å; F271-K303 HydrophobicContact CE1-CG 4.41Å; F271-K303 HydrophobicContact CE2-CB 3.95Å; F271-K303 HydrophobicContact CE2-CG 4.25Å; F271-K303 HydrophobicContact CG-CG 4.45Å; F271-K303 HydrophobicContact CZ-CB 4.36Å; F271-K303 HydrophobicContact CZ-CD 4.15Å; F271-K303 HydrophobicContact CZ-CG 4.29Å; F271-L305 HydrophobicContact CD2-CD1 4.15Å; F271-L305 HydrophobicContact CD2-CD2 3.59Å; F271-L305 HydrophobicContact CD2-CG 4.44Å; F271-L305 HydrophobicContact CE2-CD2 3.8Å
272V98.3Very high94.7Very high0 Ų038.3 Ų38.30%023%0.225CC..EExtended strand (participates in β ladder)trans-108.9127.6162.4179.80000108.3I214 N216 L232 F240 V261 S262 A264 M267I214-V272 CarbonylContact O-C 3.55Å; I214-V272 WeakPolarHBondContact O-CA 3.47Å; N216-V272 HydrophobicContact CB-CG1 3.48Å; N216-V272 VanDerWaalsContact CB-CG1 3.48Å; L232-V272 HydrophobicContact CD1-CG1 3.91Å; L232-V272 HydrophobicContact CD1-CG2 4.41Å; F240-V272 HydrophobicContact CD2-CG2 4.48Å; F240-V272 HydrophobicContact CE2-CB 3.91Å; F240-V272 HydrophobicContact CE2-CG1 4.43Å; F240-V272 HydrophobicContact CE2-CG2 3.53Å; F240-V272 HydrophobicContact CZ-CB 4.24Å; F240-V272 HydrophobicContact CZ-CG1 4.27Å; F240-V272 HydrophobicContact CZ-CG2 3.88Å; V261-V272 WeakPolarHBondContact CA-O 3.33Å; S262-V272 PolarHBondContact N-O 3.21Å; S262-V272 PolarHBondContact O-N 3.11Å; A264-V272 HydrophobicContact CB-CG2 3.88Å; M267-V272 HydrophobicContact CE-CG2 3.99Å
273I98.4Very high94.4Very high0 Ų044.8 Ų44.80%026%0.255CS..EExtended strand (participates in β ladder)trans-102.697.7177.5-55.1177.8000107.2I214 I215 N216 V259 A260 V261 A299 A300I214-I273 PolarHBondContact O-N 2.84Å; I215-I273 CarbonylContact C-O 3.59Å; I215-I273 WeakPolarHBondContact CA-O 3.38Å; I215-I273 HydrophobicContact CD1-CB 3.74Å; I215-I273 HydrophobicContact CD1-CD1 3.94Å; I215-I273 HydrophobicContact CD1-CG1 4.29Å; I215-I273 HydrophobicContact CD1-CG2 4.11Å; N216-I273 PolarHBondContact N-O 3.35Å; V259-I273 HydrophobicContact CB-CG2 4.12Å; V259-I273 HydrophobicContact CG1-CG2 4.48Å; A260-I273 CarbonylContact O-C 3.47Å; A260-I273 WeakPolarHBondContact O-CA 3.46Å; V261-I273 HydrophobicContact CG1-CG1 4.39Å; V261-I273 HydrophobicContact CG2-CG1 4.23Å; V261-I273 HydrophobicContact CG2-CG2 4.47Å; I273-A299 HydrophobicContact CD1-CB 4.27Å; I273-A299 HydrophobicContact CG2-CB 4.14Å; I273-A300 HydrophobicContact CD1-CB 3.72Å
274H96.8Very high94.3Very high0 Ų045.7 Ų45.70%026%0.257CS..EExtended strand (participates in β ladder)trans-73.7129.1176.5-55.2-89000108.9N216 T218 M222 F240 V244 L254 V259 A260 S262N216-H274 PolarHBondContact ND2-ND1 2.96Å; N216-H274 WeakPolarHBondContact O-CA 3.02Å; T218-H274 HydrophobicContact CG2-CB 4.05Å; M222-H274 HydrophobicContact CG-CB 4.13Å; M222-H274 HydrophobicContact SD-CB 4.1Å; F240-H274 AromaticContact CE2-CE1 3.68Å; F240-H274 AromaticContact CE2-NE2 3.81Å; F240-H274 AromaticContact CZ-CE1 3.11Å; F240-H274 WeakPolarHBondContact CZ-CE1 3.2Å; V244-H274 WeakPolarHBondContact CG2-CE1 3.46Å; V244-H274 WeakPolarHBondContact CG2-NE2 3.46Å; L254-H274 HydrophobicContact CD1-CB 4.39Å; V259-H274 CarbonylContact C-O 3.52Å; V259-H274 WeakPolarHBondContact CA-O 3.49Å; V259-H274 WeakPolarHBondContact CB-O 3.47Å; A260-H274 PolarHBondContact N-O 3.38Å; A260-H274 PolarHBondContact O-N 3.18Å; S262-H274 WeakPolarHBondContact CB-NE2 3.33Å; S262-H274 PolarHBondContact OG-NE2 2.88Å
275C95Very high94.2Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-129.4130.8-179.964.70000111.6N216 T218 V259 I277 T292N216-C275 PolarHBondContact O-N 2.68Å; T218-C275 PolarHBondContact N-O 3.03Å; V259-C275 HydrophobicContact CG1-CB 3.75Å; C275-I277 PolarHBondContact O-N 3.39Å; C275-T292 HydrophobicContact CB-CG2 3.7Å
276N93.9Very high94.2Very high14 Ų1447.9 Ų47.98%0.07526%0.262CS..EExtended strand (participates in β ladder)trans-88.2106.5175.1-175.112.6000109.3T218 N219 A220 L254 E255 A257 S258T218-N276 WeakPolarHBondContact O-CA 3.07Å; N219-N276 WeakPolarHBondContact CA-OD1 3.45Å; A220-N276 PolarHBondContact N-ND2 2.96Å; L254-N276 HydrophobicContact CB-CB 3.82Å; L254-N276 HydrophobicContact CD1-CB 4.44Å; L254-N276 PolarHBondContact O-ND2 3.5Å; E255-N276 WeakPolarHBondContact O-CB 3.07Å; E255-N276 PolarHBondContact O-ND2 3.32Å; A257-N276 WeakPolarHBondContact CA-O 3.41Å; A257-N276 PolarHBondContact N-O 3.29Å; S258-N276 PolarHBondContact O-N 3.42Å; S258-N276 VanDerWaalsContact O-N 3.13Å
277I90.7Very high94.4Very high4 Ų449.5 Ų49.52%0.02126%0.255CS..PPolyproline II helixtrans-85.5140.2-173.6-57.2172.3000109.2P217 C275 L289 T292 L313 P314 N318P217-I277 HydrophobicContact CB-CD1 3.57Å; P217-I277 HydrophobicContact CG-CD1 4.23Å; C275-I277 PolarHBondContact O-N 3.39Å; I277-L289 HydrophobicContact CG2-CD1 4.05Å; I277-T292 HydrophobicContact CG1-CG2 4.37Å; I277-L313 HydrophobicContact CD1-CD2 3.28Å; I277-L313 HydrophobicContact CG1-CD2 4.21Å; I277-P314 HydrophobicContact CG2-CG 4.18Å; I277-N318 HydrophobicContact CG2-CB 4.3Å; I277-N318 PolarHBondContact O-ND2 3.26Å
278P92.6Very high94.4Very high0 Ų051.2 Ų51.20%026%0.263CS..PPolyproline II helixtrans-57.6162.2171.726.6-38.2000113.1V256 C285 Q288 L289 N318 F320V256-P278 HydrophobicContact CG1-CB 3.81Å; P278-C285 HydrophobicContact CB-CB 4.18Å; P278-C285 WeakPolarHBondContact CG-O 3.34Å; P278-Q288 HydrophobicContact CB-CB 3.77Å; P278-Q288 HydrophobicContact CG-CB 3.7Å; P278-L289 HydrophobicContact CG-CB 4.11Å; P278-N318 WeakPolarHBondContact O-CB 3.16Å; P278-N318 PolarHBondContact O-ND2 3.08Å; P278-F320 HydrophobicContact CG-CE2 4.14Å; P278-F320 HydrophobicContact CG-CZ 3.95Å
279Q92.1Very high94.3Very high102 Ų10247.7 Ų47.748%0.47724%0.24SC..PPolyproline II helixtrans-89.7137.2170.8-169.666.821.900109.3G281 S282 C285 R317 N318Q279-G281 PolarHBondContact O-N 3.15Å; Q279-S282 WeakPolarHBondContact O-CB 3.36Å; Q279-S282 PolarHBondContact O-N 2.9Å; Q279-S282 PolarHBondContact O-OG 3.23Å; Q279-C285 VanDerWaalsContact O-CB 3.22Å; Q279-C285 WeakPolarHBondContact O-CB 3.27Å; Q279-R317 PolarHBondContact NE2-O 3.07Å; Q279-N318 PolarHBondContact NE2-O 2.95Å
280W91.9Very high94.2Very high96 Ų9648.2 Ų48.236%0.36424%0.241SC..THydrogen-bonded Turntrans-58.7132172.1179.1-114.1000111E286 N318 G319 F320 P321 T324W280-E286 WeakPolarHBondContact CH2-OE1 3.31Å; W280-E286 HydrophobicContact CZ3-CG 3.98Å; W280-N318 VanDerWaalsContact CB-O 3.28Å; W280-N318 WeakPolarHBondContact CB-O 3.24Å; W280-N318 PolarHBondContact N-O 3.14Å; W280-G319 VanDerWaalsContact CB-C 3.43Å; W280-G319 WeakPolarHBondContact CB-O 3.25Å; W280-F320 HydrophobicContact CB-CD2 3.78Å; W280-F320 HydrophobicContact CB-CE2 4.15Å; W280-F320 HydrophobicContact CB-CG 4.16Å; W280-F320 HydrophobicContact CD2-CD1 4.42Å; W280-F320 HydrophobicContact CD2-CG 4.45Å; W280-F320 AromaticContact CE3-CD1 3.45Å; W280-F320 HydrophobicContact CE3-CD1 3.45Å; W280-F320 VanDerWaalsContact CE3-CD1 3.45Å; W280-F320 HydrophobicContact CE3-CD2 4.36Å; W280-F320 AromaticContact CE3-CE1 3.59Å; W280-F320 HydrophobicContact CE3-CE1 3.59Å; W280-F320 HydrophobicContact CE3-CE2 4.47Å; W280-F320 AromaticContact CE3-CG 3.88Å; W280-F320 HydrophobicContact CE3-CG 3.88Å; W280-F320 HydrophobicContact CE3-CZ 4.12Å; W280-F320 AromaticContact CZ3-CD1 3.93Å; W280-F320 HydrophobicContact CZ3-CD1 3.93Å; W280-F320 AromaticContact CZ3-CE1 3.99Å; W280-F320 HydrophobicContact CZ3-CE1 3.99Å; W280-P321 HydrophobicContact CZ2-CG 4.02Å; W280-T324 HydrophobicContact CH2-CG2 4.35Å; W280-T324 HydrophobicContact CZ3-CG2 4.26Å
281G90.1Very high94.2Very high66 Ų6648.2 Ų48.268%0.6825%0.245SC*.THydrogen-bonded Turntrans84.3-1.3-174.900000115.3Q279 C285Q279-G281 PolarHBondContact O-N 3.15Å; G281-C285 PolarHBondContact N-SG 3.35Å
282S91.6Very high94.1Very high45 Ų4547.2 Ų47.232%0.31524%0.24SC..SBendtrans-71.9159.5165.874.70000111.3Q279 K284 C285 Q288Q279-S282 WeakPolarHBondContact O-CB 3.36Å; Q279-S282 PolarHBondContact O-N 2.9Å; Q279-S282 PolarHBondContact O-OG 3.23Å; S282-K284 PolarHBondContact O-N 3.13Å; S282-C285 WeakPolarHBondContact O-CB 3.47Å; S282-C285 PolarHBondContact O-N 3.44Å; S282-C285 VanDerWaalsContact O-N 3.14Å; S282-C285 PolarHBondContact O-SG 3.46Å; S282-C285 VanDerWaalsContact O-SG 3.35Å; S282-C285 WeakPolarHBondContact OG-CB 3.46Å; S282-Q288 PolarHBondContact OG-OE1 3.15Å
283E91.7Very high94Very high142 Ų14247.3 Ų47.366%0.66424%0.241SC*.THydrogen-bonded Turntrans-55.3126.9176.9-163.4-160.8144.100110.2C285 Q288E283-C285 PolarHBondContact O-N 3.04Å; E283-C285 VanDerWaalsContact O-N 3.14Å; E283-Q288 PolarHBondContact O-OE1 3.25Å
284K93.9Very high93.9Very high128 Ų12850.6 Ų50.656%0.55726%0.255SS*.THydrogen-bonded Turntrans53.531.3179.7-63.6162-176138.90113.9S282 E286 D287 Q288S282-K284 PolarHBondContact O-N 3.13Å; K284-E286 PolarHBondContact O-N 3.47Å; K284-E286 VanDerWaalsContact O-N 3.15Å; K284-D287 HydrophobicContact CB-CB 4.26Å; K284-D287 PolarHBondContact O-N 3.17Å; K284-D287 VanDerWaalsContact O-N 3.17Å; K284-Q288 WeakPolarHBondContact O-CB 3.31Å; K284-Q288 WeakPolarHBondContact O-CG 3.39Å; K284-Q288 PolarHBondContact O-N 3.02Å
285C92.8Very high93.9Very high10 Ų1051.9 Ų51.97%0.06827%0.265CS..Hα-helixtrans-55.4-32.918057.50000113.5P278 Q279 G281 S282 E283 L289 F320P278-C285 HydrophobicContact CB-CB 4.18Å; P278-C285 WeakPolarHBondContact CG-O 3.34Å; Q279-C285 VanDerWaalsContact O-CB 3.22Å; Q279-C285 WeakPolarHBondContact O-CB 3.27Å; G281-C285 PolarHBondContact N-SG 3.35Å; S282-C285 WeakPolarHBondContact O-CB 3.47Å; S282-C285 PolarHBondContact O-N 3.44Å; S282-C285 VanDerWaalsContact O-N 3.14Å; S282-C285 PolarHBondContact O-SG 3.46Å; S282-C285 VanDerWaalsContact O-SG 3.35Å; S282-C285 WeakPolarHBondContact OG-CB 3.46Å; E283-C285 PolarHBondContact O-N 3.04Å; E283-C285 VanDerWaalsContact O-N 3.14Å; C285-L289 WeakPolarHBondContact O-CB 3.25Å; C285-L289 PolarHBondContact O-N 2.96Å; C285-F320 HydrophobicContact CB-CZ 3.84Å; C285-F320 WeakPolarHBondContact O-CZ 3.05Å
286E93.3Very high94Very high83 Ų8351.9 Ų51.939%0.38827%0.265SS..Hα-helixtrans-68.1-49.6175.5-60.6-169.3-169.100112.6W280 K284 Q288 L289 E290 L328W280-E286 WeakPolarHBondContact CH2-OE1 3.31Å; W280-E286 HydrophobicContact CZ3-CG 3.98Å; K284-E286 PolarHBondContact O-N 3.47Å; K284-E286 VanDerWaalsContact O-N 3.15Å; E286-Q288 VanDerWaalsContact C-N 3.27Å; E286-Q288 PolarHBondContact O-N 3.11Å; E286-L289 PolarHBondContact O-N 3.39Å; E286-L289 VanDerWaalsContact O-N 3.11Å; E286-E290 PolarHBondContact O-N 2.89Å; E286-L328 HydrophobicContact CB-CD1 3.68Å; E286-L328 HydrophobicContact CB-CD2 4.18Å; E286-L328 HydrophobicContact CG-CD1 3.77Å
287D94.9Very high94.2Very high103 Ų10351.2 Ų51.255%0.55126%0.262SS*.Hα-helixtrans-60.5-39.7174.7-60-36000111.3K284 E290 K291K284-D287 HydrophobicContact CB-CB 4.26Å; K284-D287 PolarHBondContact O-N 3.17Å; K284-D287 VanDerWaalsContact O-N 3.17Å; D287-E290 PolarHBondContact O-N 2.83Å; D287-K291 WeakPolarHBondContact O-CB 3.44Å; D287-K291 PolarHBondContact O-N 3.14Å
288Q95.5Very high94.4Very high56 Ų5653.3 Ų53.326%0.26228%0.277SS..Hα-helixtrans-63.3-40.3175.4-73.5173.4-14.600111A257 P278 S282 E283 K284 E286 K291 T292A257-Q288 HydrophobicContact CB-CB 4.22Å; A257-Q288 VanDerWaalsContact CB-O 3.24Å; A257-Q288 WeakPolarHBondContact CB-O 3.38Å; P278-Q288 HydrophobicContact CB-CB 3.77Å; P278-Q288 HydrophobicContact CG-CB 3.7Å; S282-Q288 PolarHBondContact OG-OE1 3.15Å; E283-Q288 PolarHBondContact O-OE1 3.25Å; K284-Q288 WeakPolarHBondContact O-CB 3.31Å; K284-Q288 WeakPolarHBondContact O-CG 3.39Å; K284-Q288 PolarHBondContact O-N 3.02Å; E286-Q288 VanDerWaalsContact C-N 3.27Å; E286-Q288 PolarHBondContact O-N 3.11Å; Q288-K291 WeakPolarHBondContact O-CB 3.3Å; Q288-K291 PolarHBondContact O-N 3.46Å; Q288-T292 PolarHBondContact O-N 3.37Å; Q288-T292 PolarHBondContact O-OG1 2.99Å
289L94.9Very high94.7Very high0 Ų053.5 Ų53.50%028%0.279CS..Hα-helixtrans-66.2-43.5176.8-179.861.9000111.3I277 P278 C285 E286 K291 T292 V293 F320 L328I277-L289 HydrophobicContact CG2-CD1 4.05Å; P278-L289 HydrophobicContact CG-CB 4.11Å; C285-L289 WeakPolarHBondContact O-CB 3.25Å; C285-L289 PolarHBondContact O-N 2.96Å; E286-L289 PolarHBondContact O-N 3.39Å; E286-L289 VanDerWaalsContact O-N 3.11Å; L289-K291 VanDerWaalsContact C-N 3.29Å; L289-K291 PolarHBondContact O-N 3.46Å; L289-T292 WeakPolarHBondContact O-CB 3.4Å; L289-T292 PolarHBondContact O-N 3.18Å; L289-V293 WeakPolarHBondContact O-CG2 3.16Å; L289-V293 PolarHBondContact O-N 2.88Å; L289-F320 HydrophobicContact CB-CE1 4.16Å; L289-F320 HydrophobicContact CB-CZ 4.12Å; L289-F320 HydrophobicContact CD2-CD1 3.82Å; L289-F320 HydrophobicContact CD2-CE1 3.64Å; L289-F320 HydrophobicContact CD2-CG 4.49Å; L289-F320 HydrophobicContact CD2-CZ 4.17Å; L289-L328 HydrophobicContact CD2-CB 4.15Å; L289-L328 HydrophobicContact CD2-CD1 4.02Å
290E94.6Very high95Very high18 Ų1848.7 Ų48.78%0.08426%0.256CS..Hα-helixtrans-58.5-42.1172-74.9-156.7-158.600111.9E286 D287 V293 K294 L328 K331 A332E286-E290 PolarHBondContact O-N 2.89Å; D287-E290 PolarHBondContact O-N 2.83Å; E290-V293 PolarHBondContact O-N 3.42Å; E290-K294 WeakPolarHBondContact O-CG 3.13Å; E290-K294 PolarHBondContact O-N 3.25Å; E290-K294 IonicContact OE2-NZ 2.86Å; E290-K294 PolarHBondContact OE2-NZ 3.42Å; E290-L328 HydrophobicContact CG-CB 4.37Å; E290-L328 HydrophobicContact CG-CD2 4.11Å; E290-K331 WeakPolarHBondContact OE1-CD 3.39Å; E290-K331 VanDerWaalsContact OE1-CE 3.22Å; E290-K331 WeakPolarHBondContact OE1-CE 3.36Å; E290-K331 IonicContact OE1-NZ 3.68Å; E290-K331 PolarHBondContact OE1-NZ 2.91Å; E290-A332 HydrophobicContact CB-CB 4.16Å; E290-A332 HydrophobicContact CG-CB 4.14Å
291K96.1Very high95.2Very high124 Ų12445.9 Ų45.954%0.53925%0.247SC..Hα-helixtrans-63.3-42.9176.4-176.4-174.6172.5-165.50111.4A257 D287 Q288 L289 V293 K294 A295A257-K291 HydrophobicContact CB-CB 4.12Å; A257-K291 HydrophobicContact CB-CD 4.01Å; A257-K291 HydrophobicContact CB-CG 4.14Å; D287-K291 WeakPolarHBondContact O-CB 3.44Å; D287-K291 PolarHBondContact O-N 3.14Å; Q288-K291 WeakPolarHBondContact O-CB 3.3Å; Q288-K291 PolarHBondContact O-N 3.46Å; L289-K291 VanDerWaalsContact C-N 3.29Å; L289-K291 PolarHBondContact O-N 3.46Å; K291-V293 VanDerWaalsContact C-N 3.33Å; K291-V293 PolarHBondContact O-N 2.95Å; K291-K294 PolarHBondContact O-N 3.08Å; K291-A295 WeakPolarHBondContact O-CB 3.22Å; K291-A295 PolarHBondContact O-N 2.97Å
292T96.2Very high95.4Very high1 Ų149.8 Ų49.81%0.00625%0.248CC..Hα-helixtrans-57.8-46.6175.6-50.10000110.8A257 C275 I277 Q288 L289 A295 C296A257-T292 VanDerWaalsContact CA-OG1 3.3Å; A257-T292 WeakPolarHBondContact CA-OG1 3.46Å; A257-T292 WeakPolarHBondContact CB-OG1 3.39Å; C275-T292 HydrophobicContact CB-CG2 3.7Å; I277-T292 HydrophobicContact CG1-CG2 4.37Å; Q288-T292 PolarHBondContact O-N 3.37Å; Q288-T292 PolarHBondContact O-OG1 2.99Å; L289-T292 WeakPolarHBondContact O-CB 3.4Å; L289-T292 PolarHBondContact O-N 3.18Å; T292-A295 PolarHBondContact O-N 2.83Å; T292-C296 PolarHBondContact O-N 3.05Å; T292-C296 PolarHBondContact O-SG 2.83Å; T292-C296 VanDerWaalsContact O-SG 3.35Å
293V96.5Very high95.7Very high1 Ų151.9 Ų51.91%0.00625%0.251CS..Hα-helixtrans-64.1-44.6-179.5173.40000111.3L289 E290 K291 A295 C296 L297 F310 L313 I329 A332 I333L289-V293 WeakPolarHBondContact O-CG2 3.16Å; L289-V293 PolarHBondContact O-N 2.88Å; E290-V293 PolarHBondContact O-N 3.42Å; K291-V293 VanDerWaalsContact C-N 3.33Å; K291-V293 PolarHBondContact O-N 2.95Å; V293-A295 PolarHBondContact O-N 3.34Å; V293-C296 WeakPolarHBondContact O-CB 3.37Å; V293-C296 PolarHBondContact O-N 3.5Å; V293-L297 HydrophobicContact CG1-CD1 4.42Å; V293-L297 WeakPolarHBondContact O-CG 3.45Å; V293-L297 PolarHBondContact O-N 3.26Å; V293-L297 VanDerWaalsContact O-N 3.13Å; V293-F310 HydrophobicContact CG1-CE1 4.19Å; V293-L313 HydrophobicContact CG2-CD1 4.17Å; V293-I329 HydrophobicContact CG1-CG2 4.46Å; V293-I329 HydrophobicContact CG2-CB 4.32Å; V293-I329 HydrophobicContact CG2-CG1 3.84Å; V293-I329 HydrophobicContact CG2-CG2 4.25Å; V293-A332 HydrophobicContact CB-CB 3.9Å; V293-A332 HydrophobicContact CG1-CB 3.75Å; V293-I333 HydrophobicContact CG1-CD1 4.17Å; V293-I333 HydrophobicContact CG1-CG1 3.66Å
294K96.2Very high96Very high70 Ų7053 Ų5330%0.30425%0.254SS..Hα-helixtrans-60.4-44.8174.8-71163.4-170.9156.70111.4E290 K291 C296 L297 S298E290-K294 WeakPolarHBondContact O-CG 3.13Å; E290-K294 PolarHBondContact O-N 3.25Å; E290-K294 IonicContact OE2-NZ 2.86Å; E290-K294 PolarHBondContact OE2-NZ 3.42Å; K291-K294 PolarHBondContact O-N 3.08Å; K294-C296 VanDerWaalsContact C-N 3.35Å; K294-C296 PolarHBondContact O-N 3.22Å; K294-L297 PolarHBondContact O-N 2.91Å; K294-L297 VanDerWaalsContact O-N 3.15Å; K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 PolarHBondContact O-OG 3.19Å
295A97.3Very high96.2Very high26 Ų2646.9 Ų46.922%0.21523%0.227CC..Hα-helixtrans-61.2-39.8176.800000112.7V259 K291 T292 V293 L297 S298 A299V259-A295 HydrophobicContact CG1-CB 3.75Å; V259-A295 HydrophobicContact CG2-CB 4.07Å; K291-A295 WeakPolarHBondContact O-CB 3.22Å; K291-A295 PolarHBondContact O-N 2.97Å; T292-A295 PolarHBondContact O-N 2.83Å; V293-A295 PolarHBondContact O-N 3.34Å; A295-L297 VanDerWaalsContact C-N 3.35Å; A295-L297 PolarHBondContact O-N 3.46Å; A295-S298 PolarHBondContact O-N 3.4Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 2.91Å
296C97.8Very high96.4Very high0 Ų052.5 Ų52.50%025%0.251CS..Hα-helixtrans-59.9-41.9173-73.20000112.8I215 T292 V293 K294 A300 F310I215-C296 HydrophobicContact CD1-CB 3.75Å; I215-C296 HydrophobicContact CG1-CB 4.44Å; T292-C296 PolarHBondContact O-N 3.05Å; T292-C296 PolarHBondContact O-SG 2.83Å; T292-C296 VanDerWaalsContact O-SG 3.35Å; V293-C296 WeakPolarHBondContact O-CB 3.37Å; V293-C296 PolarHBondContact O-N 3.5Å; K294-C296 VanDerWaalsContact C-N 3.35Å; K294-C296 PolarHBondContact O-N 3.22Å; C296-A300 PolarHBondContact O-N 3.04Å; C296-F310 HydrophobicContact CB-CE1 4.12Å; C296-F310 HydrophobicContact CB-CZ 4.05Å
297L97.1Very high96.6Very high0 Ų049.3 Ų49.30%024%0.237CC..Hα-helixtrans-67.7-47.6178.2-63.8168.2000111.1V293 K294 A295 A299 A300 E301 F310 I333 H336 L345 I348V293-L297 HydrophobicContact CG1-CD1 4.42Å; V293-L297 WeakPolarHBondContact O-CG 3.45Å; V293-L297 PolarHBondContact O-N 3.26Å; V293-L297 VanDerWaalsContact O-N 3.13Å; K294-L297 PolarHBondContact O-N 2.91Å; K294-L297 VanDerWaalsContact O-N 3.15Å; A295-L297 VanDerWaalsContact C-N 3.35Å; A295-L297 PolarHBondContact O-N 3.46Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 3.36Å; L297-A300 WeakPolarHBondContact O-CB 3.24Å; L297-A300 PolarHBondContact O-N 3.31Å; L297-A300 VanDerWaalsContact O-N 3.12Å; L297-E301 WeakPolarHBondContact O-CG 3.37Å; L297-E301 PolarHBondContact O-N 2.94Å; L297-F310 HydrophobicContact CD2-CE2 3.85Å; L297-F310 HydrophobicContact CD2-CZ 3.78Å; L297-F310 HydrophobicContact CG-CZ 4.15Å; L297-I333 HydrophobicContact CD1-CG1 3.95Å; L297-H336 HydrophobicContact CD1-CB 3.54Å; L297-H336 VanDerWaalsContact CD1-CG 3.47Å; L297-L345 HydrophobicContact CB-CD1 4.43Å; L297-L345 HydrophobicContact CD2-CD1 3.77Å; L297-I348 HydrophobicContact CD2-CD1 3.78Å
298S96.5Very high96.7Very high48 Ų4844.4 Ų44.434%0.33621%0.211SC..Hα-helixtrans-58.1-44.7176.4-60.20000112.1K294 A295 A300 E301 E302K294-S298 PolarHBondContact O-N 3.46Å; K294-S298 PolarHBondContact O-OG 3.19Å; A295-S298 PolarHBondContact O-N 3.4Å; S298-A300 VanDerWaalsContact C-N 3.29Å; S298-A300 PolarHBondContact O-N 3.31Å; S298-E301 PolarHBondContact O-N 2.88Å; S298-E301 VanDerWaalsContact O-N 3.11Å; S298-E302 WeakPolarHBondContact O-CG 3.4Å; S298-E302 PolarHBondContact O-N 3.18Å
299A97.4Very high96.8Very high5 Ų541.8 Ų41.84%0.04120%0.199CC..Hα-helixtrans-62.8-34.3177.200000112.8V259 V261 I273 A295 L297 K303V259-A299 HydrophobicContact CG2-CB 3.86Å; V261-A299 HydrophobicContact CG2-CB 3.97Å; I273-A299 HydrophobicContact CD1-CB 4.27Å; I273-A299 HydrophobicContact CG2-CB 4.14Å; A295-A299 WeakPolarHBondContact O-CB 3.47Å; A295-A299 PolarHBondContact O-N 2.91Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 3.36Å; A299-K303 WeakPolarHBondContact O-CG 3.38Å; A299-K303 PolarHBondContact O-N 3.14Å
300A97.8Very high96.8Very high0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-70.7-36.9172.700000112.2I273 C296 L297 S298 K303 K304 L305 L345I273-A300 HydrophobicContact CD1-CB 3.72Å; C296-A300 PolarHBondContact O-N 3.04Å; L297-A300 WeakPolarHBondContact O-CB 3.24Å; L297-A300 PolarHBondContact O-N 3.31Å; L297-A300 VanDerWaalsContact O-N 3.12Å; S298-A300 VanDerWaalsContact C-N 3.29Å; S298-A300 PolarHBondContact O-N 3.31Å; A300-K303 CarbonylContact O-C 3.52Å; A300-K303 PolarHBondContact O-N 3.03Å; A300-K304 PolarHBondContact O-N 3.14Å; A300-L305 HydrophobicContact CB-CB 4.41Å; A300-L305 HydrophobicContact CB-CD1 4.06Å; A300-L305 HydrophobicContact CB-CG 4.47Å; A300-L305 WeakPolarHBondContact O-CB 3.32Å; A300-L305 WeakPolarHBondContact O-CG 3.34Å; A300-L305 PolarHBondContact O-N 2.95Å; A300-L345 HydrophobicContact CB-CD1 4.25Å; A300-L345 HydrophobicContact CB-CD2 4.12Å
301E96.1Very high96.7Very high38 Ų3841 Ų4118%0.17820%0.195CC..Hα-helixtrans-70.7-37.6177.5-71.6169.1165.300112.4L297 S298 K303 K304 H336 S343 L345L297-E301 WeakPolarHBondContact O-CG 3.37Å; L297-E301 PolarHBondContact O-N 2.94Å; S298-E301 PolarHBondContact O-N 2.88Å; S298-E301 VanDerWaalsContact O-N 3.11Å; E301-K303 VanDerWaalsContact C-N 3.3Å; E301-K303 PolarHBondContact O-N 2.75Å; E301-K304 VanDerWaalsContact O-CA 3.31Å; E301-K304 WeakPolarHBondContact O-CA 3.39Å; E301-K304 PolarHBondContact O-N 3.21Å; E301-H336 VanDerWaalsContact CD-NE2 3.28Å; E301-H336 IonicContact OE1-CD2 3.31Å; E301-H336 IonicContact OE1-NE2 3.23Å; E301-H336 PolarHBondContact OE1-NE2 2.93Å; E301-H336 VanDerWaalsContact OE1-NE2 3.07Å; E301-H336 IonicContact OE2-CE1 2.65Å; E301-H336 PolarHBondContact OE2-CE1 3.19Å; E301-H336 IonicContact OE2-NE2 3.02Å; E301-H336 PolarHBondContact OE2-NE2 2.91Å; E301-S343 WeakPolarHBondContact OE1-CB 3.41Å; E301-S343 PolarHBondContact OE1-OG 2.94Å; E301-L345 HydrophobicContact CG-CD1 3.98Å; E301-L345 HydrophobicContact CG-CG 4.07Å
302E96.3Very high95.9Very high148 Ų14835.8 Ų35.869%0.69218%0.175SC*.Hα-helixtrans-59.6-38.9171.6-76.2175.2-163.500112.4S298 K304S298-E302 WeakPolarHBondContact O-CG 3.4Å; S298-E302 PolarHBondContact O-N 3.18Å; E302-K304 PolarHBondContact O-N 2.75Å
303K97.6Very high94.6Very high88 Ų8836 Ų3638%0.38318%0.175SC..THydrogen-bonded Turntrans-80.23.5172.2-58.1-53.3-178.4-165.50113.4V261 F271 A299 A300 E301 L305V261-K303 HydrophobicContact CG1-CG 4.36Å; F271-K303 HydrophobicContact CD1-CG 4.5Å; F271-K303 HydrophobicContact CD2-CB 4.16Å; F271-K303 HydrophobicContact CD2-CG 4.34Å; F271-K303 HydrophobicContact CE1-CD 4.21Å; F271-K303 HydrophobicContact CE1-CG 4.41Å; F271-K303 HydrophobicContact CE2-CB 3.95Å; F271-K303 HydrophobicContact CE2-CG 4.25Å; F271-K303 HydrophobicContact CG-CG 4.45Å; F271-K303 HydrophobicContact CZ-CB 4.36Å; F271-K303 HydrophobicContact CZ-CD 4.15Å; F271-K303 HydrophobicContact CZ-CG 4.29Å; A299-K303 WeakPolarHBondContact O-CG 3.38Å; A299-K303 PolarHBondContact O-N 3.14Å; A300-K303 CarbonylContact O-C 3.52Å; A300-K303 PolarHBondContact O-N 3.03Å; E301-K303 VanDerWaalsContact C-N 3.3Å; E301-K303 PolarHBondContact O-N 2.75Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 HydrophobicContact CB-CD1 4.35Å; K303-L305 HydrophobicContact CB-CD2 3.85Å; K303-L305 HydrophobicContact CB-CG 3.86Å; K303-L305 PolarHBondContact O-N 3.05Å
304K96.9Very high93Very high166 Ų16636.3 Ų36.372%0.72218%0.178SC*.THydrogen-bonded Turntrans56.633.6-179.9-56.3-177.9-178.8179.20113.8A300 E301 E302A300-K304 PolarHBondContact O-N 3.14Å; E301-K304 VanDerWaalsContact O-CA 3.31Å; E301-K304 WeakPolarHBondContact O-CA 3.39Å; E301-K304 PolarHBondContact O-N 3.21Å; E302-K304 PolarHBondContact O-N 2.75Å
305L97.7Very high90.7Very high0 Ų035.5 Ų35.50%018%0.184CC..  trans-71.4145.4-177.8-50.9-175.9000110.7E212 F271 A300 K303 S344 L345E212-L305 HydrophobicContact CB-CB 4.03Å; E212-L305 HydrophobicContact CB-CD2 4.04Å; E212-L305 HydrophobicContact CB-CG 4.39Å; F271-L305 HydrophobicContact CD2-CD1 4.15Å; F271-L305 HydrophobicContact CD2-CD2 3.59Å; F271-L305 HydrophobicContact CD2-CG 4.44Å; F271-L305 HydrophobicContact CE2-CD2 3.8Å; A300-L305 HydrophobicContact CB-CB 4.41Å; A300-L305 HydrophobicContact CB-CD1 4.06Å; A300-L305 HydrophobicContact CB-CG 4.47Å; A300-L305 WeakPolarHBondContact O-CB 3.32Å; A300-L305 WeakPolarHBondContact O-CG 3.34Å; A300-L305 PolarHBondContact O-N 2.95Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 HydrophobicContact CB-CD1 4.35Å; K303-L305 HydrophobicContact CB-CD2 3.85Å; K303-L305 HydrophobicContact CB-CG 3.86Å; K303-L305 PolarHBondContact O-N 3.05Å; L305-S344 CarbonylContact O-C 3.58Å; L305-S344 VanDerWaalsContact O-C 3.29Å; L305-S344 WeakPolarHBondContact O-CB 3.42Å; L305-S344 PolarHBondContact O-OG 3.3Å; L305-L345 HydrophobicContact CB-CD2 4.4Å; L305-L345 WeakPolarHBondContact O-CD2 3.34Å; L305-L345 PolarHBondContact O-N 3.23Å
306K96.9Very high89Confident128 Ų12836.8 Ų36.856%0.55720%0.2SC*.SBendtrans-95.4-24.1174.6-57.1174.5-173.9168.30113.4E212 K346 N347E212-K306 VanDerWaalsContact OE1-CB 3.31Å; E212-K306 WeakPolarHBondContact OE1-CB 3.45Å; E212-K306 WeakPolarHBondContact OE1-CD 3.04Å; E212-K306 WeakPolarHBondContact OE1-CG 3.39Å; K306-K346 PolarHBondContact O-N 2.95Å; K306-N347 PolarHBondContact O-N 3.13Å; K306-N347 VanDerWaalsContact O-N 3.07Å
307S97.7Very high87.6Confident15 Ų1542 Ų4211%0.10522%0.22CC..EExtended strand (participates in β ladder)trans-139140.7-178.558.80000112.6V211 E212 G213 N347V211-S307 WeakPolarHBondContact CA-OG 3.4Å; E212-S307 PolarHBondContact N-O 2.76Å; E212-S307 PolarHBondContact N-OG 3.08Å; G213-S307 PolarHBondContact N-O 3.46Å; G213-S307 VanDerWaalsContact N-O 3.07Å; S307-N347 VanDerWaalsContact CA-O 3.23Å; S307-N347 WeakPolarHBondContact CA-O 3.4Å
308V97.9Very high86.8Confident1 Ų143.2 Ų43.21%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-138.8138179.363.60000111.5G213 I215 F310 L345 N347 I348 Y349G213-V308 CarbonylContact O-C 3.5Å; G213-V308 VanDerWaalsContact O-CA 3.24Å; G213-V308 WeakPolarHBondContact O-CA 3.37Å; I215-V308 HydrophobicContact CD1-CG2 3.6Å; I215-V308 HydrophobicContact CG1-CG2 3.88Å; V308-F310 HydrophobicContact CG1-CD2 4.12Å; V308-F310 HydrophobicContact CG1-CE2 3.71Å; V308-F310 HydrophobicContact CG2-CD2 4.35Å; V308-F310 HydrophobicContact CG2-CE2 4.12Å; V308-L345 HydrophobicContact CB-CD2 4.17Å; V308-L345 HydrophobicContact CG1-CD1 4.33Å; V308-L345 HydrophobicContact CG1-CD2 3.86Å; V308-N347 PolarHBondContact N-O 3.46Å; V308-N347 VanDerWaalsContact N-O 3.08Å; V308-I348 HydrophobicContact CG1-CG1 3.85Å; V308-I348 WeakPolarHBondContact O-CA 3.37Å; V308-Y349 PolarHBondContact O-N 3.04Å
309A97.6Very high86.3Confident0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-102.2116.6175.200000111.1I209 V211 G213 I215 Y349 V351I209-A309 HydrophobicContact CD1-CB 4.07Å; I209-A309 HydrophobicContact CG2-CB 4.22Å; V211-A309 HydrophobicContact CG1-CB 4.22Å; V211-A309 HydrophobicContact CG2-CB 3.92Å; G213-A309 PolarHBondContact O-N 3.49Å; I215-A309 WeakPolarHBondContact CG1-O 3.14Å; I215-A309 PolarHBondContact N-O 3.32Å; A309-Y349 CarbonylContact C-O 3.54Å; A309-Y349 WeakPolarHBondContact CA-O 3.46Å; A309-V351 HydrophobicContact CB-CG2 4.01Å
310F95.6Very high85.9Confident0 Ų043.2 Ų43.20%023%0.231CC..EExtended strand (participates in β ladder)trans-93.6115.7168.2-77.8-101.7000108.6I215 V293 C296 L297 V308 L313 I333 I348 Y349 F350 V351I215-F310 HydrophobicContact CB-CD1 4.47Å; I215-F310 HydrophobicContact CD1-CZ 4.38Å; I215-F310 HydrophobicContact CG1-CD1 3.85Å; I215-F310 HydrophobicContact CG1-CD2 4.02Å; I215-F310 HydrophobicContact CG1-CE1 3.9Å; I215-F310 HydrophobicContact CG1-CE2 4.08Å; I215-F310 HydrophobicContact CG1-CG 3.92Å; I215-F310 HydrophobicContact CG1-CZ 4.02Å; V293-F310 HydrophobicContact CG1-CE1 4.19Å; C296-F310 HydrophobicContact CB-CE1 4.12Å; C296-F310 HydrophobicContact CB-CZ 4.05Å; L297-F310 HydrophobicContact CD2-CE2 3.85Å; L297-F310 HydrophobicContact CD2-CZ 3.78Å; L297-F310 HydrophobicContact CG-CZ 4.15Å; V308-F310 HydrophobicContact CG1-CD2 4.12Å; V308-F310 HydrophobicContact CG1-CE2 3.71Å; V308-F310 HydrophobicContact CG2-CD2 4.35Å; V308-F310 HydrophobicContact CG2-CE2 4.12Å; F310-L313 HydrophobicContact CD1-CD1 3.64Å; F310-L313 HydrophobicContact CE1-CD1 4.16Å; F310-I333 HydrophobicContact CE2-CD1 4.49Å; F310-I333 HydrophobicContact CZ-CD1 4.44Å; F310-I348 HydrophobicContact CD2-CG2 3.82Å; F310-I348 HydrophobicContact CE2-CD1 4.46Å; F310-I348 HydrophobicContact CE2-CG2 4.28Å; F310-Y349 PolarHBondContact N-O 3.37Å; F310-F350 HydrophobicContact CB-CD1 3.99Å; F310-F350 HydrophobicContact CB-CE1 4.27Å; F310-F350 CarbonylContact O-C 3.51Å; F310-F350 WeakPolarHBondContact O-CA 3.38Å; F310-V351 PolarHBondContact O-N 2.94Å
311P91.8Very high85.6Confident1 Ų145.7 Ų45.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-70.3178.6167.334.1-35.6000110I215 P217 V228 L313 V351 F353I215-P311 VanDerWaalsContact O-CD 3.22Å; I215-P311 WeakPolarHBondContact O-CD 3.35Å; I215-P311 WeakPolarHBondContact O-CG 3.32Å; P217-P311 HydrophobicContact CG-CG 3.66Å; V228-P311 HydrophobicContact CG1-CG 4.31Å; V228-P311 HydrophobicContact CG2-CB 3.65Å; V228-P311 HydrophobicContact CG2-CG 3.89Å; P311-L313 VanDerWaalsContact C-N 3.25Å; P311-L313 PolarHBondContact O-N 3.19Å; P311-V351 CarbonylContact C-O 3.54Å; P311-V351 WeakPolarHBondContact CA-O 3.38Å; P311-F353 HydrophobicContact CB-CE2 4.33Å; P311-F353 HydrophobicContact CB-CZ 4.21Å
312S79Confident85.3Confident16 Ų1646.3 Ų46.311%0.11225%0.249CC..  trans-63.376.3175.7-1680000114P314 A315 V351S312-P314 CarbonylContact O-C 3.54Å; S312-P314 WeakPolarHBondContact O-CA 3.4Å; S312-A315 PolarHBondContact O-N 2.52Å; S312-A315 WeakPolarHBondContact OG-CB 3.46Å; S312-V351 PolarHBondContact N-O 3.42Å
313L70.1Confident85Confident4 Ų442 Ų422%0.02123%0.229CC..THydrogen-bonded Turntrans-63.6126.5164.3-69173.3000109.9P217 I277 V293 F310 P311 I329P217-L313 HydrophobicContact CB-CD2 4.32Å; P217-L313 HydrophobicContact CG-CD2 3.73Å; I277-L313 HydrophobicContact CD1-CD2 3.28Å; I277-L313 HydrophobicContact CG1-CD2 4.21Å; V293-L313 HydrophobicContact CG2-CD1 4.17Å; F310-L313 HydrophobicContact CD1-CD1 3.64Å; F310-L313 HydrophobicContact CE1-CD1 4.16Å; P311-L313 VanDerWaalsContact C-N 3.25Å; P311-L313 PolarHBondContact O-N 3.19Å; L313-I329 HydrophobicContact CB-CD1 3.4Å; L313-I329 VanDerWaalsContact CB-CD1 3.4Å; L313-I329 HydrophobicContact CB-CG1 4.35Å; L313-I329 HydrophobicContact CD1-CD1 4.16Å; L313-I329 HydrophobicContact CD1-CG1 4.31Å; L313-I329 HydrophobicContact CG-CD1 4.44Å; L313-I329 WeakPolarHBondContact O-CD1 3.18Å
314P60.9Low84.7Confident9 Ų939.3 Ų39.36%0.05822%0.22CC..THydrogen-bonded Turncis-108.793.8-34.58.913.6000109.6I277 S312 G316 N318 F320I277-P314 HydrophobicContact CG2-CG 4.18Å; S312-P314 CarbonylContact O-C 3.54Å; S312-P314 WeakPolarHBondContact O-CA 3.4Å; P314-G316 PolarHBondContact O-N 3.05Å; P314-G316 VanDerWaalsContact O-N 3.16Å; P314-N318 HydrophobicContact CB-CB 4.08Å; P314-F320 HydrophobicContact CG-CB 3.89Å; P314-F320 HydrophobicContact CG-CD2 3.88Å; P314-F320 HydrophobicContact CG-CG 3.99Å
315A49.5Very low84.5Confident52 Ų5231.5 Ų31.543%0.4319%0.186SC..SBendtrans-84.476.6169.900000110.2S312S312-A315 PolarHBondContact O-N 2.52Å; S312-A315 WeakPolarHBondContact OG-CB 3.46Å
316G60.9Low84.2Confident54 Ų5431.5 Ų31.556%0.55719%0.186SC*.SBendtrans159.1-131179.300000115P314 N318 G319P314-G316 PolarHBondContact O-N 3.05Å; P314-G316 VanDerWaalsContact O-N 3.16Å; G316-N318 PolarHBondContact O-N 2.88Å; G316-G319 PolarHBondContact O-N 3.46Å
317R67.4Low84Confident110 Ų11029 Ų2942%0.41518%0.177SC..THydrogen-bonded Turntrans-40.6-41.2-168.6-70.2173.6166.2-168.3-12.9115.2D223 E226 Q279D223-R317 IonicContact OD1-CZ 3.39Å; D223-R317 IonicContact OD1-NH1 2.88Å; D223-R317 PolarHBondContact OD1-NH1 3.14Å; D223-R317 IonicContact OD1-NH2 3.64Å; D223-R317 PolarHBondContact OD1-NH2 2.85Å; D223-R317 IonicContact OD2-NH1 2.77Å; D223-R317 PolarHBondContact OD2-NH1 2.9Å; E226-R317 IonicContact OE1-CZ 2.7Å; E226-R317 IonicContact OE1-NE 3.33Å; E226-R317 IonicContact OE1-NH2 3.46Å; E226-R317 PolarHBondContact OE1-NH2 2.85Å; E226-R317 IonicContact OE2-CZ 2.66Å; E226-R317 IonicContact OE2-NE 3.73Å; E226-R317 PolarHBondContact OE2-NE 3.45Å; E226-R317 IonicContact OE2-NH2 2.73Å; E226-R317 PolarHBondContact OE2-NH2 2.86Å; Q279-R317 PolarHBondContact NE2-O 3.07Å
318N81Confident83.8Confident25 Ų2528.9 Ų28.913%0.13418%0.175CC..THydrogen-bonded Turntrans-83.3-7.1-174.4-63.374.3000115.2I277 P278 Q279 W280 P314 G316 F320I277-N318 HydrophobicContact CG2-CB 4.3Å; I277-N318 PolarHBondContact O-ND2 3.26Å; P278-N318 WeakPolarHBondContact O-CB 3.16Å; P278-N318 PolarHBondContact O-ND2 3.08Å; Q279-N318 PolarHBondContact NE2-O 2.95Å; W280-N318 VanDerWaalsContact CB-O 3.28Å; W280-N318 WeakPolarHBondContact CB-O 3.24Å; W280-N318 PolarHBondContact N-O 3.14Å; P314-N318 HydrophobicContact CB-CB 4.08Å; G316-N318 PolarHBondContact O-N 2.88Å; N318-F320 HydrophobicContact CB-CD2 4.45Å; N318-F320 PolarHBondContact O-N 3.2Å
319G85.6Confident83.7Confident42 Ų4228.9 Ų28.943%0.43318%0.175SC..  trans74.17.5164.800000118.3W280 G316W280-G319 VanDerWaalsContact CB-C 3.43Å; W280-G319 WeakPolarHBondContact CB-O 3.25Å; G316-G319 PolarHBondContact O-N 3.46Å
320F89.8Confident83.5Confident10 Ų1029 Ų294%0.04418%0.176CC..  trans-65.1142177.6-82.7-109.7000111.5P278 W280 C285 L289 P314 N318 K322 A325 L328P278-F320 HydrophobicContact CG-CE2 4.14Å; P278-F320 HydrophobicContact CG-CZ 3.95Å; W280-F320 HydrophobicContact CB-CD2 3.78Å; W280-F320 HydrophobicContact CB-CE2 4.15Å; W280-F320 HydrophobicContact CB-CG 4.16Å; W280-F320 HydrophobicContact CD2-CD1 4.42Å; W280-F320 HydrophobicContact CD2-CG 4.45Å; W280-F320 AromaticContact CE3-CD1 3.45Å; W280-F320 HydrophobicContact CE3-CD1 3.45Å; W280-F320 VanDerWaalsContact CE3-CD1 3.45Å; W280-F320 HydrophobicContact CE3-CD2 4.36Å; W280-F320 AromaticContact CE3-CE1 3.59Å; W280-F320 HydrophobicContact CE3-CE1 3.59Å; W280-F320 HydrophobicContact CE3-CE2 4.47Å; W280-F320 AromaticContact CE3-CG 3.88Å; W280-F320 HydrophobicContact CE3-CG 3.88Å; W280-F320 HydrophobicContact CE3-CZ 4.12Å; W280-F320 AromaticContact CZ3-CD1 3.93Å; W280-F320 HydrophobicContact CZ3-CD1 3.93Å; W280-F320 AromaticContact CZ3-CE1 3.99Å; W280-F320 HydrophobicContact CZ3-CE1 3.99Å; C285-F320 HydrophobicContact CB-CZ 3.84Å; C285-F320 WeakPolarHBondContact O-CZ 3.05Å; L289-F320 HydrophobicContact CB-CE1 4.16Å; L289-F320 HydrophobicContact CB-CZ 4.12Å; L289-F320 HydrophobicContact CD2-CD1 3.82Å; L289-F320 HydrophobicContact CD2-CE1 3.64Å; L289-F320 HydrophobicContact CD2-CG 4.49Å; L289-F320 HydrophobicContact CD2-CZ 4.17Å; P314-F320 HydrophobicContact CG-CB 3.89Å; P314-F320 HydrophobicContact CG-CD2 3.88Å; P314-F320 HydrophobicContact CG-CG 3.99Å; N318-F320 HydrophobicContact CB-CD2 4.45Å; N318-F320 PolarHBondContact O-N 3.2Å; F320-K322 PolarHBondContact O-N 3.45Å; F320-A325 HydrophobicContact CB-CB 4.24Å; F320-L328 HydrophobicContact CE1-CD1 4.42Å
321P91Very high83.3Confident53 Ų5334 Ų3434%0.34420%0.197SC..  trans-59127.2164.8-20.532000110.3W280 Q323 T324 A325W280-P321 HydrophobicContact CZ2-CG 4.02Å; P321-Q323 PolarHBondContact O-N 2.96Å; P321-Q323 VanDerWaalsContact O-N 3.1Å; P321-T324 PolarHBondContact O-N 3.4Å; P321-T324 VanDerWaalsContact O-N 3.1Å; P321-A325 WeakPolarHBondContact O-CB 3.25Å; P321-A325 PolarHBondContact O-N 2.85Å
322K90.3Very high83.4Confident50 Ų5034 Ų3422%0.21720%0.197CC..Hα-helixtrans-50.4-38.8-178.7-71.4178.4172-179.50113.1F320 A326 D354 E356 S357 I360F320-K322 PolarHBondContact O-N 3.45Å; K322-A326 WeakPolarHBondContact O-CB 3.18Å; K322-A326 PolarHBondContact O-N 3.43Å; K322-D354 VanDerWaalsContact NZ-CG 3.32Å; K322-D354 IonicContact NZ-OD1 2.68Å; K322-D354 PolarHBondContact NZ-OD1 3.02Å; K322-D354 IonicContact NZ-OD2 2.87Å; K322-D354 PolarHBondContact NZ-OD2 3.4Å; K322-E356 HydrophobicContact CD-CG 4.04Å; K322-E356 WeakPolarHBondContact CE-OE2 3.41Å; K322-E356 IonicContact NZ-OE2 2.72Å; K322-E356 PolarHBondContact NZ-OE2 3.24Å; K322-S357 WeakPolarHBondContact CD-OG 3.31Å; K322-S357 VanDerWaalsContact CE-OG 3.23Å; K322-S357 WeakPolarHBondContact CE-OG 3.41Å; K322-S357 PolarHBondContact NZ-OG 2.91Å; K322-I360 HydrophobicContact CB-CD1 3.48Å; K322-I360 VanDerWaalsContact CB-CD1 3.48Å; K322-I360 HydrophobicContact CD-CD1 4.3Å
323Q90.8Very high84.1Confident58 Ų5833.2 Ų33.227%0.27119%0.192SC..Hα-helixtrans-61.8-55.8177.4-176.56432.400112.2P321 A325 A326 Q327 E364P321-Q323 PolarHBondContact O-N 2.96Å; P321-Q323 VanDerWaalsContact O-N 3.1Å; Q323-A325 VanDerWaalsContact C-N 3.31Å; Q323-A325 PolarHBondContact O-N 2.86Å; Q323-A326 PolarHBondContact O-N 3.04Å; Q323-Q327 WeakPolarHBondContact O-CG 3.39Å; Q323-Q327 PolarHBondContact O-N 2.99Å; Q323-Q327 VanDerWaalsContact O-N 3.09Å; Q323-E364 PolarHBondContact NE2-OE1 3.2Å
324T91.4Very high85.1Confident32 Ų3234 Ų3420%0.19620%0.197CC..Hα-helixtrans-60.8-41.2178.9-51.40000111.2W280 P321 Q327 L328W280-T324 HydrophobicContact CH2-CG2 4.35Å; W280-T324 HydrophobicContact CZ3-CG2 4.26Å; P321-T324 PolarHBondContact O-N 3.4Å; P321-T324 VanDerWaalsContact O-N 3.1Å; T324-Q327 PolarHBondContact O-N 2.81Å; T324-L328 HydrophobicContact CG2-CD1 3.93Å; T324-L328 VanDerWaalsContact O-CG 3.3Å; T324-L328 WeakPolarHBondContact O-CG 3.18Å; T324-L328 PolarHBondContact O-N 3.38Å
325A91.6Very high86.5Confident1 Ų136.9 Ų36.91%0.00821%0.213CC..Hα-helixtrans-57.8-57.4174.900000112.3F320 P321 Q323 Q327 L328 I329F320-A325 HydrophobicContact CB-CB 4.24Å; P321-A325 WeakPolarHBondContact O-CB 3.25Å; P321-A325 PolarHBondContact O-N 2.85Å; Q323-A325 VanDerWaalsContact C-N 3.31Å; Q323-A325 PolarHBondContact O-N 2.86Å; A325-Q327 PolarHBondContact O-N 3.43Å; A325-L328 PolarHBondContact O-N 3.2Å; A325-I329 HydrophobicContact CB-CD1 4.34Å; A325-I329 WeakPolarHBondContact O-CB 3.16Å; A325-I329 WeakPolarHBondContact O-CD1 3.27Å; A325-I329 WeakPolarHBondContact O-CG1 3.29Å; A325-I329 PolarHBondContact O-N 3.47Å
326A92.6Very high88.5Confident0 Ų035.2 Ų35.20%020%0.196CC..Hα-helixtrans-56.2-40.7-17900000111.8K322 Q323 L330 I360 Y361 E364K322-A326 WeakPolarHBondContact O-CB 3.18Å; K322-A326 PolarHBondContact O-N 3.43Å; Q323-A326 PolarHBondContact O-N 3.04Å; A326-L330 VanDerWaalsContact O-CB 3.3Å; A326-L330 WeakPolarHBondContact O-CB 3.3Å; A326-L330 WeakPolarHBondContact O-CD1 3.24Å; A326-L330 VanDerWaalsContact O-CG 3.26Å; A326-L330 WeakPolarHBondContact O-CG 3.39Å; A326-L330 PolarHBondContact O-N 3.46Å; A326-I360 HydrophobicContact CB-CG2 3.62Å; A326-Y361 HydrophobicContact CB-CD1 4.44Å; A326-Y361 HydrophobicContact CB-CD2 3.83Å; A326-Y361 HydrophobicContact CB-CE1 4.29Å; A326-Y361 HydrophobicContact CB-CE2 3.66Å; A326-Y361 HydrophobicContact CB-CG 4.24Å; A326-E364 HydrophobicContact CB-CG 4.26Å
327Q92.8Very high89.8Confident76 Ų7632.8 Ų32.836%0.35517%0.17SC..Hα-helixtrans-58.4-56.3174.6-76.9175.1-20.800112.6Q323 T324 A325 I329 L330 K331 E364Q323-Q327 WeakPolarHBondContact O-CG 3.39Å; Q323-Q327 PolarHBondContact O-N 2.99Å; Q323-Q327 VanDerWaalsContact O-N 3.09Å; T324-Q327 PolarHBondContact O-N 2.81Å; A325-Q327 PolarHBondContact O-N 3.43Å; Q327-I329 VanDerWaalsContact C-N 3.3Å; Q327-I329 PolarHBondContact O-N 3.33Å; Q327-L330 PolarHBondContact O-N 3.16Å; Q327-K331 WeakPolarHBondContact O-CB 3.49Å; Q327-K331 PolarHBondContact O-N 2.95Å; Q327-E364 HydrophobicContact CG-CG 3.89Å; Q327-E364 WeakPolarHBondContact CG-OE2 3.49Å; Q327-E364 PolarHBondContact NE2-OE2 2.94Å
328L93.4Very high90.7Very high13 Ų1332.9 Ų32.97%0.06818%0.183CC..Hα-helixtrans-61.6-38.6-178.7-67.9168000111.9E286 L289 E290 F320 T324 A325 A332E286-L328 HydrophobicContact CB-CD1 3.68Å; E286-L328 HydrophobicContact CB-CD2 4.18Å; E286-L328 HydrophobicContact CG-CD1 3.77Å; L289-L328 HydrophobicContact CD2-CB 4.15Å; L289-L328 HydrophobicContact CD2-CD1 4.02Å; E290-L328 HydrophobicContact CG-CB 4.37Å; E290-L328 HydrophobicContact CG-CD2 4.11Å; F320-L328 HydrophobicContact CE1-CD1 4.42Å; T324-L328 HydrophobicContact CG2-CD1 3.93Å; T324-L328 VanDerWaalsContact O-CG 3.3Å; T324-L328 WeakPolarHBondContact O-CG 3.18Å; T324-L328 PolarHBondContact O-N 3.38Å; A325-L328 PolarHBondContact O-N 3.2Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 2.86Å
329I94.4Very high90.6Very high0 Ų036.1 Ų36.10%021%0.207CC..Hα-helixtrans-68.8-48.7179.8-65.5155.7000111.5V293 L313 A325 Q327 A332 I333 F350 Y361V293-I329 HydrophobicContact CG1-CG2 4.46Å; V293-I329 HydrophobicContact CG2-CB 4.32Å; V293-I329 HydrophobicContact CG2-CG1 3.84Å; V293-I329 HydrophobicContact CG2-CG2 4.25Å; L313-I329 HydrophobicContact CB-CD1 3.4Å; L313-I329 VanDerWaalsContact CB-CD1 3.4Å; L313-I329 HydrophobicContact CB-CG1 4.35Å; L313-I329 HydrophobicContact CD1-CD1 4.16Å; L313-I329 HydrophobicContact CD1-CG1 4.31Å; L313-I329 HydrophobicContact CG-CD1 4.44Å; L313-I329 WeakPolarHBondContact O-CD1 3.18Å; A325-I329 HydrophobicContact CB-CD1 4.34Å; A325-I329 WeakPolarHBondContact O-CB 3.16Å; A325-I329 WeakPolarHBondContact O-CD1 3.27Å; A325-I329 WeakPolarHBondContact O-CG1 3.29Å; A325-I329 PolarHBondContact O-N 3.47Å; Q327-I329 VanDerWaalsContact C-N 3.3Å; Q327-I329 PolarHBondContact O-N 3.33Å; I329-A332 PolarHBondContact O-N 3.04Å; I329-I333 HydrophobicContact CG2-CD1 3.75Å; I329-I333 WeakPolarHBondContact O-CB 3.21Å; I329-I333 WeakPolarHBondContact O-CG1 3.13Å; I329-I333 PolarHBondContact O-N 3.47Å; I329-F350 HydrophobicContact CG2-CE1 3.91Å; I329-Y361 VanDerWaalsContact CD1-OH 3.32Å; I329-Y361 WeakPolarHBondContact CD1-OH 3.47Å
330L93.4Very high90.2Very high3 Ų335.3 Ų35.32%0.01620%0.196CC..Hα-helixtrans-66.5-40.1180-71.7166.5000111.3L196 A326 Q327 I333 S334 F350 Y361 E364 M365 L368L196-L330 HydrophobicContact CD1-CD2 4.33Å; A326-L330 VanDerWaalsContact O-CB 3.3Å; A326-L330 WeakPolarHBondContact O-CB 3.3Å; A326-L330 WeakPolarHBondContact O-CD1 3.24Å; A326-L330 VanDerWaalsContact O-CG 3.26Å; A326-L330 WeakPolarHBondContact O-CG 3.39Å; A326-L330 PolarHBondContact O-N 3.46Å; Q327-L330 PolarHBondContact O-N 3.16Å; L330-I333 PolarHBondContact O-N 3.48Å; L330-S334 WeakPolarHBondContact O-CB 3.35Å; L330-S334 PolarHBondContact O-N 2.98Å; L330-F350 HydrophobicContact CD2-CD2 4.4Å; L330-F350 HydrophobicContact CD2-CE1 4.33Å; L330-F350 HydrophobicContact CD2-CE2 3.48Å; L330-F350 VanDerWaalsContact CD2-CE2 3.48Å; L330-F350 HydrophobicContact CD2-CZ 3.44Å; L330-F350 VanDerWaalsContact CD2-CZ 3.44Å; L330-F350 HydrophobicContact CG-CZ 4.44Å; L330-Y361 HydrophobicContact CD1-CD1 4.17Å; L330-Y361 HydrophobicContact CD1-CE1 4.5Å; L330-Y361 HydrophobicContact CG-CD1 4.49Å; L330-Y361 HydrophobicContact CG-CE1 4.42Å; L330-E364 HydrophobicContact CD1-CB 3.42Å; L330-E364 VanDerWaalsContact CD1-CB 3.42Å; L330-M365 HydrophobicContact CD1-CG 3.96Å; L330-M365 HydrophobicContact CD2-CG 3.76Å; L330-L368 HydrophobicContact CB-CD1 4.27Å; L330-L368 HydrophobicContact CB-CD2 4.37Å; L330-L368 HydrophobicContact CD2-CD1 3.98Å
331K91.9Very high89.1Confident106 Ų10641.7 Ų41.746%0.46124%0.236SC..Hα-helixtrans-60-48171.3178.9-174.6171.9-149.40111.7E290 Q327 I333 S334 N335E290-K331 WeakPolarHBondContact OE1-CD 3.39Å; E290-K331 VanDerWaalsContact OE1-CE 3.22Å; E290-K331 WeakPolarHBondContact OE1-CE 3.36Å; E290-K331 IonicContact OE1-NZ 3.68Å; E290-K331 PolarHBondContact OE1-NZ 2.91Å; Q327-K331 WeakPolarHBondContact O-CB 3.49Å; Q327-K331 PolarHBondContact O-N 2.95Å; K331-I333 PolarHBondContact O-N 3.27Å; K331-S334 PolarHBondContact O-N 3.3Å; K331-N335 VanDerWaalsContact O-CB 3.25Å; K331-N335 WeakPolarHBondContact O-CB 3.49Å; K331-N335 PolarHBondContact O-N 3.33Å; K331-N335 PolarHBondContact O-ND2 3.12Å
332A93.5Very high88.6Confident0 Ų045 Ų450%026%0.256CS..Hα-helixtrans-63.1-40.7178.900000112.5E290 V293 L328 I329 H336E290-A332 HydrophobicContact CB-CB 4.16Å; E290-A332 HydrophobicContact CG-CB 4.14Å; V293-A332 HydrophobicContact CB-CB 3.9Å; V293-A332 HydrophobicContact CG1-CB 3.75Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 2.86Å; I329-A332 PolarHBondContact O-N 3.04Å; A332-H336 VanDerWaalsContact O-CB 3.3Å; A332-H336 WeakPolarHBondContact O-CB 3.44Å; A332-H336 PolarHBondContact O-N 2.9Å
333I93.7Very high88.5Confident0 Ų043.6 Ų43.60%025%0.252CS..Hα-helixtrans-66.3-45.3175.9-74.5163.8000111.6L196 V293 L297 F310 I329 L330 K331 H336 F337 I348 F350L196-I333 HydrophobicContact CD1-CG2 4.47Å; L196-I333 HydrophobicContact CD2-CG2 3.8Å; V293-I333 HydrophobicContact CG1-CD1 4.17Å; V293-I333 HydrophobicContact CG1-CG1 3.66Å; L297-I333 HydrophobicContact CD1-CG1 3.95Å; F310-I333 HydrophobicContact CE2-CD1 4.49Å; F310-I333 HydrophobicContact CZ-CD1 4.44Å; I329-I333 HydrophobicContact CG2-CD1 3.75Å; I329-I333 WeakPolarHBondContact O-CB 3.21Å; I329-I333 WeakPolarHBondContact O-CG1 3.13Å; I329-I333 PolarHBondContact O-N 3.47Å; L330-I333 PolarHBondContact O-N 3.48Å; K331-I333 PolarHBondContact O-N 3.27Å; I333-H336 PolarHBondContact O-N 2.7Å; I333-F337 HydrophobicContact CG2-CD2 4.1Å; I333-F337 HydrophobicContact CG2-CE2 3.82Å; I333-F337 VanDerWaalsContact O-CD2 3.27Å; I333-F337 WeakPolarHBondContact O-CD2 3.44Å; I333-F337 PolarHBondContact O-N 2.81Å; I333-I348 HydrophobicContact CD1-CD1 4.37Å; I333-I348 HydrophobicContact CG1-CD1 4.36Å; I333-I348 HydrophobicContact CG2-CD1 3.63Å; I333-F350 HydrophobicContact CD1-CE1 3.57Å; I333-F350 HydrophobicContact CD1-CZ 3.44Å; I333-F350 VanDerWaalsContact CD1-CZ 3.44Å
334S90.6Very high88.7Confident20 Ų2042.5 Ų42.514%0.1425%0.251CS..Hα-helixtrans-60.6-52176.5-167.60000110.9L330 K331 H336 F337 V338L330-S334 WeakPolarHBondContact O-CB 3.35Å; L330-S334 PolarHBondContact O-N 2.98Å; K331-S334 PolarHBondContact O-N 3.3Å; S334-H336 VanDerWaalsContact C-N 3.31Å; S334-H336 PolarHBondContact O-N 3.43Å; S334-F337 PolarHBondContact O-N 3.35Å; S334-V338 WeakPolarHBondContact O-CG2 3.2Å; S334-V338 PolarHBondContact O-N 3.33Å
335N90.3Very high88.9Confident70 Ų7041 Ų4137%0.37424%0.242SC..Hα-helixtrans-59.5-39.2178.8-72.5-15.3000112.6K331 V338 S339K331-N335 VanDerWaalsContact O-CB 3.25Å; K331-N335 WeakPolarHBondContact O-CB 3.49Å; K331-N335 PolarHBondContact O-N 3.33Å; K331-N335 PolarHBondContact O-ND2 3.12Å; N335-V338 PolarHBondContact O-N 2.96Å; N335-S339 VanDerWaalsContact O-CB 3.29Å; N335-S339 WeakPolarHBondContact O-CB 3.43Å; N335-S339 PolarHBondContact O-N 2.83Å; N335-S339 PolarHBondContact O-OG 2.91Å; N335-S339 VanDerWaalsContact O-OG 3.05Å
336H91.8Very high89Confident16 Ų1645.3 Ų45.37%0.07426%0.26CS..Hα-helixtrans-56.4-53.9175.3-174.488.4000110.7L297 E301 A332 I333 S334 V338 S339 A340L297-H336 HydrophobicContact CD1-CB 3.54Å; L297-H336 VanDerWaalsContact CD1-CG 3.47Å; E301-H336 VanDerWaalsContact CD-NE2 3.28Å; E301-H336 IonicContact OE1-CD2 3.31Å; E301-H336 IonicContact OE1-NE2 3.23Å; E301-H336 PolarHBondContact OE1-NE2 2.93Å; E301-H336 VanDerWaalsContact OE1-NE2 3.07Å; E301-H336 IonicContact OE2-CE1 2.65Å; E301-H336 PolarHBondContact OE2-CE1 3.19Å; E301-H336 IonicContact OE2-NE2 3.02Å; E301-H336 PolarHBondContact OE2-NE2 2.91Å; A332-H336 VanDerWaalsContact O-CB 3.3Å; A332-H336 WeakPolarHBondContact O-CB 3.44Å; A332-H336 PolarHBondContact O-N 2.9Å; I333-H336 PolarHBondContact O-N 2.7Å; S334-H336 VanDerWaalsContact C-N 3.31Å; S334-H336 PolarHBondContact O-N 3.43Å; H336-V338 PolarHBondContact O-N 3.08Å; H336-S339 PolarHBondContact O-N 3.11Å; H336-S339 PolarHBondContact O-OG 3.47Å; H336-A340 VanDerWaalsContact O-CB 3.27Å; H336-A340 WeakPolarHBondContact O-CB 3.17Å; H336-A340 PolarHBondContact O-N 3.25Å
337F88.8Confident89.2Confident3 Ų347 Ų471%0.01327%0.269CS..Hα-helixtrans-69.3-34-179-66.4-52.3000114.3L190 L192 Q194 I333 S334 S339 A340 S343 L345 I348L190-F337 HydrophobicContact CD1-CD2 3.67Å; L190-F337 HydrophobicContact CD1-CE2 4.38Å; L192-F337 WeakPolarHBondContact CD1-O 3.48Å; Q194-F337 HydrophobicContact CB-CD2 4.25Å; Q194-F337 HydrophobicContact CB-CE2 4.12Å; Q194-F337 HydrophobicContact CB-CZ 4.45Å; Q194-F337 HydrophobicContact CG-CD1 3.87Å; Q194-F337 HydrophobicContact CG-CD2 4.02Å; Q194-F337 HydrophobicContact CG-CE1 3.85Å; Q194-F337 HydrophobicContact CG-CE2 3.95Å; Q194-F337 HydrophobicContact CG-CG 3.97Å; Q194-F337 HydrophobicContact CG-CZ 3.88Å; I333-F337 HydrophobicContact CG2-CD2 4.1Å; I333-F337 HydrophobicContact CG2-CE2 3.82Å; I333-F337 VanDerWaalsContact O-CD2 3.27Å; I333-F337 WeakPolarHBondContact O-CD2 3.44Å; I333-F337 PolarHBondContact O-N 2.81Å; S334-F337 PolarHBondContact O-N 3.35Å; F337-S339 VanDerWaalsContact C-N 3.28Å; F337-S339 PolarHBondContact O-N 3.06Å; F337-A340 PolarHBondContact O-N 3.04Å; F337-S343 WeakPolarHBondContact CE1-OG 3.21Å; F337-L345 HydrophobicContact CE1-CB 4.08Å; F337-L345 HydrophobicContact CE1-CD1 4.39Å; F337-L345 HydrophobicContact CZ-CB 4.04Å; F337-L345 HydrophobicContact CZ-CD1 4.19Å; F337-I348 HydrophobicContact CE2-CD1 3.55Å; F337-I348 HydrophobicContact CE2-CG1 4.48Å; F337-I348 HydrophobicContact CZ-CD1 3.77Å; F337-I348 HydrophobicContact CZ-CG1 4.5Å
338V85.8Confident89.4Confident113 Ų11343.4 Ų43.469%0.68525%0.252SS*.Hα-helixtrans-64.5-35.2173.1173.20000111.2S334 N335 H336S334-V338 WeakPolarHBondContact O-CG2 3.2Å; S334-V338 PolarHBondContact O-N 3.33Å; N335-V338 PolarHBondContact O-N 2.96Å; H336-V338 PolarHBondContact O-N 3.08Å
339S80.1Confident89.5Confident92 Ų9243.1 Ų43.164%0.64325%0.25SS*.Hα-helixtrans-82.6-24.1178.672.10000114.7N335 H336 F337 T341N335-S339 VanDerWaalsContact O-CB 3.29Å; N335-S339 WeakPolarHBondContact O-CB 3.43Å; N335-S339 PolarHBondContact O-N 2.83Å; N335-S339 PolarHBondContact O-OG 2.91Å; N335-S339 VanDerWaalsContact O-OG 3.05Å; H336-S339 PolarHBondContact O-N 3.11Å; H336-S339 PolarHBondContact O-OG 3.47Å; F337-S339 VanDerWaalsContact C-N 3.28Å; F337-S339 PolarHBondContact O-N 3.06Å; S339-T341 PolarHBondContact O-N 3.01Å
340A75.7Confident89.6Confident25 Ų2543.1 Ų43.121%0.20725%0.25CS..  trans-85.7110-173.900000112.2H336 F337 T342H336-A340 VanDerWaalsContact O-CB 3.27Å; H336-A340 WeakPolarHBondContact O-CB 3.17Å; H336-A340 PolarHBondContact O-N 3.25Å; F337-A340 PolarHBondContact O-N 3.04Å; A340-T342 PolarHBondContact O-N 2.69Å; A340-T342 VanDerWaalsContact O-N 3.16Å
341T68Low89.7Confident144 Ų14443 Ų4388%0.88325%0.25SC*.SBendtrans-54.6-33.7176-48.10000113.1S339S339-T341 PolarHBondContact O-N 3.01Å
342T80.8Confident89.8Confident123 Ų12337.9 Ų37.976%0.75523%0.228SC*.  trans-146.5140.8174.753.40000110.1A340A340-T342 PolarHBondContact O-N 2.69Å; A340-T342 VanDerWaalsContact O-N 3.16Å
343S88Confident89.7Confident21 Ų2140.6 Ų40.615%0.14724%0.24CC..  trans-139.1139.8172.9173.50000110.7E301 F337 L345 K346E301-S343 WeakPolarHBondContact OE1-CB 3.41Å; E301-S343 PolarHBondContact OE1-OG 2.94Å; F337-S343 WeakPolarHBondContact CE1-OG 3.21Å; S343-L345 PolarHBondContact OG-N 3.27Å; S343-L345 VanDerWaalsContact OG-N 3.13Å; S343-K346 PolarHBondContact O-NZ 3.32Å
344S94.6Very high89.5Confident35 Ų3542.8 Ų42.825%0.24525%0.251CS..SBendtrans-73.8-28.7171.361.10000112.3L305L305-S344 CarbonylContact O-C 3.58Å; L305-S344 VanDerWaalsContact O-C 3.29Å; L305-S344 WeakPolarHBondContact O-CB 3.42Å; L305-S344 PolarHBondContact O-OG 3.3Å
345L95.4Very high89.4Confident1 Ų146.6 Ų46.61%0.00528%0.278CS..  trans-63.5137.6-179.1-67.3170.7000110.6L297 A300 E301 L305 V308 F337 S343L297-L345 HydrophobicContact CB-CD1 4.43Å; L297-L345 HydrophobicContact CD2-CD1 3.77Å; A300-L345 HydrophobicContact CB-CD1 4.25Å; A300-L345 HydrophobicContact CB-CD2 4.12Å; E301-L345 HydrophobicContact CG-CD1 3.98Å; E301-L345 HydrophobicContact CG-CG 4.07Å; L305-L345 HydrophobicContact CB-CD2 4.4Å; L305-L345 WeakPolarHBondContact O-CD2 3.34Å; L305-L345 PolarHBondContact O-N 3.23Å; V308-L345 HydrophobicContact CB-CD2 4.17Å; V308-L345 HydrophobicContact CG1-CD1 4.33Å; V308-L345 HydrophobicContact CG1-CD2 3.86Å; F337-L345 HydrophobicContact CE1-CB 4.08Å; F337-L345 HydrophobicContact CE1-CD1 4.39Å; F337-L345 HydrophobicContact CZ-CB 4.04Å; F337-L345 HydrophobicContact CZ-CD1 4.19Å; S343-L345 PolarHBondContact OG-N 3.27Å; S343-L345 VanDerWaalsContact OG-N 3.13Å
346K94.4Very high89.4Confident91 Ų9149.2 Ų49.240%0.39629%0.288SS..  trans-128.7-35.7177.1-56.1-62.1153.7-129.90112Q194 K195 K306 S343Q194-K346 CarbonylContact C-O 3.58Å; Q194-K346 WeakPolarHBondContact CA-O 3.1Å; K195-K346 PolarHBondContact N-O 3.27Å; K306-K346 PolarHBondContact O-N 2.95Å; S343-K346 PolarHBondContact O-NZ 3.32Å
347N95.5Very high89.4Confident34 Ų3448.5 Ų48.518%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-122.5127.5178.9-63.8-68.2000111.1K195 K306 S307 V308 Y349K195-N347 WeakPolarHBondContact O-CA 3.43Å; K306-N347 PolarHBondContact O-N 3.13Å; K306-N347 VanDerWaalsContact O-N 3.07Å; S307-N347 VanDerWaalsContact CA-O 3.23Å; S307-N347 WeakPolarHBondContact CA-O 3.4Å; V308-N347 PolarHBondContact N-O 3.46Å; V308-N347 VanDerWaalsContact N-O 3.08Å; N347-Y349 HydrophobicContact CB-CD2 4.44Å; N347-Y349 HydrophobicContact CB-CE2 3.72Å
348I96.6Very high89.6Confident1 Ų149 Ų491%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-113130.2166.6-67.7-175.1000107.9K195 L196 S197 L297 V308 F310 I333 F337 F350K195-I348 PolarHBondContact O-N 3.17Å; L196-I348 HydrophobicContact CD2-CB 3.75Å; L196-I348 HydrophobicContact CD2-CD1 3.97Å; L196-I348 HydrophobicContact CD2-CG1 4.23Å; L196-I348 HydrophobicContact CD2-CG2 4.2Å; S197-I348 PolarHBondContact N-O 3.42Å; L297-I348 HydrophobicContact CD2-CD1 3.78Å; V308-I348 HydrophobicContact CG1-CG1 3.85Å; V308-I348 WeakPolarHBondContact O-CA 3.37Å; F310-I348 HydrophobicContact CD2-CG2 3.82Å; F310-I348 HydrophobicContact CE2-CD1 4.46Å; F310-I348 HydrophobicContact CE2-CG2 4.28Å; I333-I348 HydrophobicContact CD1-CD1 4.37Å; I333-I348 HydrophobicContact CG1-CD1 4.36Å; I333-I348 HydrophobicContact CG2-CD1 3.63Å; F337-I348 HydrophobicContact CE2-CD1 3.55Å; F337-I348 HydrophobicContact CE2-CG1 4.48Å; F337-I348 HydrophobicContact CZ-CD1 3.77Å; F337-I348 HydrophobicContact CZ-CG1 4.5Å; I348-F350 HydrophobicContact CG2-CE1 4.26Å; I348-F350 HydrophobicContact CG2-CE2 4.18Å; I348-F350 HydrophobicContact CG2-CZ 4Å
349Y96.9Very high89.8Confident7 Ų745.2 Ų45.23%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-109.8119.6176.3-65-82.5000109.8D176 P178 I184 S197 V211 V308 A309 F310 N347D176-Y349 PolarHBondContact O-OH 3.46Å; P178-Y349 HydrophobicContact CB-CD1 4.38Å; P178-Y349 HydrophobicContact CB-CE1 4.31Å; P178-Y349 HydrophobicContact CG-CD1 4.49Å; P178-Y349 HydrophobicContact CG-CE1 4.27Å; I184-Y349 HydrophobicContact CD1-CE1 4.35Å; S197-Y349 CarbonylContact O-C 3.54Å; S197-Y349 WeakPolarHBondContact O-CA 3.35Å; V211-Y349 HydrophobicContact CG1-CD2 3.48Å; V211-Y349 VanDerWaalsContact CG1-CD2 3.48Å; V211-Y349 HydrophobicContact CG1-CE2 3.8Å; V211-Y349 HydrophobicContact CG1-CG 4.3Å; V308-Y349 PolarHBondContact O-N 3.04Å; A309-Y349 CarbonylContact C-O 3.54Å; A309-Y349 WeakPolarHBondContact CA-O 3.46Å; F310-Y349 PolarHBondContact N-O 3.37Å; N347-Y349 HydrophobicContact CB-CD2 4.44Å; N347-Y349 HydrophobicContact CB-CE2 3.72Å
350F96.1Very high90.5Very high0 Ų041.9 Ų41.90%025%0.246CC..EExtended strand (participates in β ladder)trans-89.5100.4168.5-64.4-68.9000108.6L196 S197 L198 T199 F310 I329 L330 I333 I348 Y361 M365L196-F350 HydrophobicContact CB-CE2 4.14Å; L196-F350 HydrophobicContact CD1-CE2 4.31Å; L196-F350 HydrophobicContact CD2-CE2 4.4Å; S197-F350 PolarHBondContact O-N 3.38Å; L198-F350 HydrophobicContact CD1-CB 3.78Å; T199-F350 PolarHBondContact N-O 3.03Å; T199-F350 VanDerWaalsContact O-O 3.14Å; F310-F350 HydrophobicContact CB-CD1 3.99Å; F310-F350 HydrophobicContact CB-CE1 4.27Å; F310-F350 CarbonylContact O-C 3.51Å; F310-F350 WeakPolarHBondContact O-CA 3.38Å; I329-F350 HydrophobicContact CG2-CE1 3.91Å; L330-F350 HydrophobicContact CD2-CD2 4.4Å; L330-F350 HydrophobicContact CD2-CE1 4.33Å; L330-F350 HydrophobicContact CD2-CE2 3.48Å; L330-F350 VanDerWaalsContact CD2-CE2 3.48Å; L330-F350 HydrophobicContact CD2-CZ 3.44Å; L330-F350 VanDerWaalsContact CD2-CZ 3.44Å; L330-F350 HydrophobicContact CG-CZ 4.44Å; I333-F350 HydrophobicContact CD1-CE1 3.57Å; I333-F350 HydrophobicContact CD1-CZ 3.44Å; I333-F350 VanDerWaalsContact CD1-CZ 3.44Å; I348-F350 HydrophobicContact CG2-CE1 4.26Å; I348-F350 HydrophobicContact CG2-CE2 4.18Å; I348-F350 HydrophobicContact CG2-CZ 4Å; F350-Y361 HydrophobicContact CB-CD1 4.29Å; F350-Y361 HydrophobicContact CB-CE1 4.34Å; F350-Y361 HydrophobicContact CD1-CD1 4.21Å; F350-Y361 AromaticContact CD1-CE1 3.58Å; F350-Y361 HydrophobicContact CD1-CE1 3.58Å; F350-Y361 HydrophobicContact CD2-CD1 4.4Å; F350-Y361 AromaticContact CE1-CE1 3.96Å; F350-Y361 HydrophobicContact CE1-CE1 3.96Å; F350-Y361 HydrophobicContact CG-CD1 4.05Å; F350-Y361 AromaticContact CG-CE1 3.9Å; F350-Y361 HydrophobicContact CG-CE1 3.9Å; F350-M365 HydrophobicContact CD2-SD 4.01Å; F350-M365 HydrophobicContact CE2-SD 4.35Å
351V95.7Very high91.3Very high0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-90.7108.6-176.9-165.10000109.5F182 T199 I206 I209 A309 F310 P311 S312 F353F182-V351 HydrophobicContact CD1-CG1 4.2Å; F182-V351 HydrophobicContact CE1-CG1 3.93Å; T199-V351 WeakPolarHBondContact O-CA 2.67Å; I206-V351 HydrophobicContact CD1-CB 3.75Å; I206-V351 HydrophobicContact CD1-CG1 3.73Å; I206-V351 HydrophobicContact CD1-CG2 3.81Å; I209-V351 HydrophobicContact CD1-CG2 3.58Å; A309-V351 HydrophobicContact CB-CG2 4.01Å; F310-V351 PolarHBondContact O-N 2.94Å; P311-V351 CarbonylContact C-O 3.54Å; P311-V351 WeakPolarHBondContact CA-O 3.38Å; S312-V351 PolarHBondContact N-O 3.42Å; V351-F353 HydrophobicContact CG1-CE1 3.75Å; V351-F353 HydrophobicContact CG1-CZ 4.37Å
352L93.9Very high92.4Very high0 Ų037.4 Ų37.40%021%0.213CC..EExtended strand (participates in β ladder)trans-116.6148-175.1-55.2-175.9000110.9L198 T199 E200 S201 I358 Y361L198-L352 HydrophobicContact CD1-CD1 3.46Å; L198-L352 VanDerWaalsContact CD1-CD1 3.46Å; L198-L352 HydrophobicContact CD1-CG 4.07Å; L198-L352 HydrophobicContact CG-CD1 4.43Å; T199-L352 PolarHBondContact O-N 2.88Å; E200-L352 WeakPolarHBondContact CA-O 3.4Å; S201-L352 PolarHBondContact N-O 2.99Å; S201-L352 VanDerWaalsContact N-O 3.1Å; L352-I358 HydrophobicContact CB-CD1 4.47Å; L352-I358 HydrophobicContact CB-CG1 3.7Å; L352-I358 HydrophobicContact CD1-CG1 4.01Å; L352-Y361 HydrophobicContact CD1-CD2 3.62Å; L352-Y361 HydrophobicContact CD1-CE2 4.34Å; L352-Y361 HydrophobicContact CD1-CG 3.75Å; L352-Y361 HydrophobicContact CD2-CD2 4.11Å; L352-Y361 HydrophobicContact CD2-CE2 4Å
353F90.2Very high93Very high57 Ų5736.3 Ų36.325%0.2520%0.199CC..  trans-118.6-9.5-169.7-41.7-59.2000113.5I203 I206 V228 P311 V351I203-F353 HydrophobicContact CB-CD1 4Å; I203-F353 HydrophobicContact CB-CD2 3.98Å; I203-F353 HydrophobicContact CB-CE1 4.08Å; I203-F353 HydrophobicContact CB-CE2 4.06Å; I203-F353 HydrophobicContact CB-CG 3.95Å; I203-F353 HydrophobicContact CB-CZ 4.11Å; I203-F353 HydrophobicContact CD1-CD2 3.99Å; I203-F353 HydrophobicContact CD1-CE2 3.81Å; I203-F353 HydrophobicContact CD1-CZ 4.44Å; I203-F353 HydrophobicContact CG1-CD2 4.08Å; I203-F353 HydrophobicContact CG1-CE1 4.33Å; I203-F353 HydrophobicContact CG1-CE2 3.73Å; I203-F353 HydrophobicContact CG1-CZ 3.87Å; I203-F353 VanDerWaalsContact N-CD1 3.34Å; I206-F353 HydrophobicContact CD1-CZ 4.48Å; V228-F353 HydrophobicContact CG2-CE2 4.35Å; P311-F353 HydrophobicContact CB-CE2 4.33Å; P311-F353 HydrophobicContact CB-CZ 4.21Å; V351-F353 HydrophobicContact CG1-CE1 3.75Å; V351-F353 HydrophobicContact CG1-CZ 4.37Å
354D90.1Very high93.1Very high46 Ų4635.9 Ų35.925%0.24620%0.195CC..SBendtrans-136.3145-176.478.689.1000112.2K322 E356 S357 I358K322-D354 VanDerWaalsContact NZ-CG 3.32Å; K322-D354 IonicContact NZ-OD1 2.68Å; K322-D354 PolarHBondContact NZ-OD1 3.02Å; K322-D354 IonicContact NZ-OD2 2.87Å; K322-D354 PolarHBondContact NZ-OD2 3.4Å; D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 2.96Å; D354-E356 WeakPolarHBondContact OD1-CB 3.21Å; D354-E356 PolarHBondContact OD1-N 2.89Å; D354-S357 PolarHBondContact O-N 3.42Å; D354-S357 PolarHBondContact OD1-N 3.41Å; D354-S357 PolarHBondContact OD1-OG 3.37Å; D354-S357 VanDerWaalsContact OD1-OG 3.13Å; D354-S357 VanDerWaalsContact OD2-CB 3.29Å; D354-S357 WeakPolarHBondContact OD2-CB 3.41Å; D354-S357 PolarHBondContact OD2-OG 2.96Å; D354-I358 WeakPolarHBondContact O-CG1 3.22Å; D354-I358 PolarHBondContact O-N 3.1Å
355S89.2Confident92.8Very high99 Ų9934.3 Ų34.369%0.69218%0.184SC*.Hα-helixtrans-67.4-22.4-172-45.50000114.4G359S355-G359 PolarHBondContact O-N 3.34Å
356E90.4Very high92.5Very high125 Ų12537.7 Ų37.758%0.58421%0.211SC*.Hα-helixtrans-73.7-49.5176.5176.7-172.8-151.700110K322 D354 I358 G359 I360K322-E356 HydrophobicContact CD-CG 4.04Å; K322-E356 WeakPolarHBondContact CE-OE2 3.41Å; K322-E356 IonicContact NZ-OE2 2.72Å; K322-E356 PolarHBondContact NZ-OE2 3.24Å; D354-E356 VanDerWaalsContact C-N 3.27Å; D354-E356 PolarHBondContact O-N 2.96Å; D354-E356 WeakPolarHBondContact OD1-CB 3.21Å; D354-E356 PolarHBondContact OD1-N 2.89Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 3.41Å; E356-G359 PolarHBondContact O-N 3.3Å; E356-I360 HydrophobicContact CG-CD1 4.08Å; E356-I360 WeakPolarHBondContact O-CG1 3.5Å; E356-I360 PolarHBondContact O-N 3.23Å
357S91.3Very high92.1Very high1 Ų138.6 Ų38.61%0.00722%0.215CC..Hα-helixtrans-59.2-41.5174-56.50000111K322 D354 I360 Y361K322-S357 WeakPolarHBondContact CD-OG 3.31Å; K322-S357 VanDerWaalsContact CE-OG 3.23Å; K322-S357 WeakPolarHBondContact CE-OG 3.41Å; K322-S357 PolarHBondContact NZ-OG 2.91Å; D354-S357 PolarHBondContact O-N 3.42Å; D354-S357 PolarHBondContact OD1-N 3.41Å; D354-S357 PolarHBondContact OD1-OG 3.37Å; D354-S357 VanDerWaalsContact OD1-OG 3.13Å; D354-S357 VanDerWaalsContact OD2-CB 3.29Å; D354-S357 WeakPolarHBondContact OD2-CB 3.41Å; D354-S357 PolarHBondContact OD2-OG 2.96Å; S357-I360 PolarHBondContact O-N 3.17Å; S357-Y361 WeakPolarHBondContact O-CD2 3.32Å; S357-Y361 PolarHBondContact O-N 3.33Å
358I91.9Very high91.3Very high13 Ų1338.3 Ų38.37%0.06721%0.214CC..Hα-helixtrans-58.7-48174.8-71.4164.7000111.5L185 L198 E200 L352 D354 E356 I360 Y361 L362L185-I358 HydrophobicContact CD1-CB 4.47Å; L185-I358 HydrophobicContact CD1-CD1 4.04Å; L185-I358 HydrophobicContact CD1-CG1 4.23Å; L185-I358 HydrophobicContact CD1-CG2 3.42Å; L185-I358 VanDerWaalsContact CD1-CG2 3.42Å; L198-I358 HydrophobicContact CD2-CG2 4.47Å; E200-I358 HydrophobicContact CB-CD1 4.02Å; E200-I358 HydrophobicContact CG-CD1 3.84Å; L352-I358 HydrophobicContact CB-CD1 4.47Å; L352-I358 HydrophobicContact CB-CG1 3.7Å; L352-I358 HydrophobicContact CD1-CG1 4.01Å; D354-I358 WeakPolarHBondContact O-CG1 3.22Å; D354-I358 PolarHBondContact O-N 3.1Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 3.41Å; I358-I360 VanDerWaalsContact C-N 3.34Å; I358-I360 PolarHBondContact O-N 3.25Å; I358-Y361 PolarHBondContact O-N 3.31Å; I358-L362 HydrophobicContact CG2-CD1 4.03Å; I358-L362 HydrophobicContact CG2-CG 4.49Å; I358-L362 WeakPolarHBondContact O-CB 3.35Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 2.96Å
359G91.9Very high89.9Confident35 Ų3543 Ų4336%0.36124%0.239SC..Hα-helixtrans-60.2-42.8178.100000112.9S355 E356 L362 Q363S355-G359 PolarHBondContact O-N 3.34Å; E356-G359 PolarHBondContact O-N 3.3Å; G359-L362 PolarHBondContact O-N 3.17Å; G359-Q363 PolarHBondContact O-N 3.21Å; G359-Q363 VanDerWaalsContact O-N 3.07Å
360I93.1Very high88.2Confident21 Ų2144.7 Ų44.711%0.10825%0.254CS..Hα-helixtrans-63.6-51.4177.5-71.9168.7000111.1K322 A326 E356 S357 I358 L362 Q363 E364K322-I360 HydrophobicContact CB-CD1 3.48Å; K322-I360 VanDerWaalsContact CB-CD1 3.48Å; K322-I360 HydrophobicContact CD-CD1 4.3Å; A326-I360 HydrophobicContact CB-CG2 3.62Å; E356-I360 HydrophobicContact CG-CD1 4.08Å; E356-I360 WeakPolarHBondContact O-CG1 3.5Å; E356-I360 PolarHBondContact O-N 3.23Å; S357-I360 PolarHBondContact O-N 3.17Å; I358-I360 VanDerWaalsContact C-N 3.34Å; I358-I360 PolarHBondContact O-N 3.25Å; I360-L362 VanDerWaalsContact C-N 3.32Å; I360-L362 PolarHBondContact O-N 3.23Å; I360-Q363 WeakPolarHBondContact O-CB 3.33Å; I360-Q363 PolarHBondContact O-N 2.83Å; I360-Q363 VanDerWaalsContact O-N 3.08Å; I360-E364 HydrophobicContact CG2-CG 4.47Å; I360-E364 WeakPolarHBondContact O-CG 3.47Å; I360-E364 PolarHBondContact O-N 3.04Å
361Y93.1Very high85.8Confident4 Ų453.8 Ų53.82%0.01629%0.294CS..Hα-helixtrans-65.3-34179.5-89.8-98.4000112.6L198 A326 I329 L330 F350 L352 S357 I358 Q363 M365L198-Y361 HydrophobicContact CD1-CD1 4.34Å; L198-Y361 HydrophobicContact CD1-CG 4.17Å; A326-Y361 HydrophobicContact CB-CD1 4.44Å; A326-Y361 HydrophobicContact CB-CD2 3.83Å; A326-Y361 HydrophobicContact CB-CE1 4.29Å; A326-Y361 HydrophobicContact CB-CE2 3.66Å; A326-Y361 HydrophobicContact CB-CG 4.24Å; I329-Y361 VanDerWaalsContact CD1-OH 3.32Å; I329-Y361 WeakPolarHBondContact CD1-OH 3.47Å; L330-Y361 HydrophobicContact CD1-CD1 4.17Å; L330-Y361 HydrophobicContact CD1-CE1 4.5Å; L330-Y361 HydrophobicContact CG-CD1 4.49Å; L330-Y361 HydrophobicContact CG-CE1 4.42Å; F350-Y361 HydrophobicContact CB-CD1 4.29Å; F350-Y361 HydrophobicContact CB-CE1 4.34Å; F350-Y361 HydrophobicContact CD1-CD1 4.21Å; F350-Y361 AromaticContact CD1-CE1 3.58Å; F350-Y361 HydrophobicContact CD1-CE1 3.58Å; F350-Y361 HydrophobicContact CD2-CD1 4.4Å; F350-Y361 AromaticContact CE1-CE1 3.96Å; F350-Y361 HydrophobicContact CE1-CE1 3.96Å; F350-Y361 HydrophobicContact CG-CD1 4.05Å; F350-Y361 AromaticContact CG-CE1 3.9Å; F350-Y361 HydrophobicContact CG-CE1 3.9Å; L352-Y361 HydrophobicContact CD1-CD2 3.62Å; L352-Y361 HydrophobicContact CD1-CE2 4.34Å; L352-Y361 HydrophobicContact CD1-CG 3.75Å; L352-Y361 HydrophobicContact CD2-CD2 4.11Å; L352-Y361 HydrophobicContact CD2-CE2 4Å; S357-Y361 WeakPolarHBondContact O-CD2 3.32Å; S357-Y361 PolarHBondContact O-N 3.33Å; I358-Y361 PolarHBondContact O-N 3.31Å; Y361-Q363 VanDerWaalsContact C-N 3.33Å; Y361-M365 WeakPolarHBondContact O-CB 3.42Å; Y361-M365 WeakPolarHBondContact O-CG 3.32Å; Y361-M365 PolarHBondContact O-N 3.26Å
362L92.1Very high85.3Confident72 Ų7256.5 Ų56.538%0.37731%0.308SS..Hα-helixtrans-59.6-44.7170.2-76.2171.9000111.4L198 I358 G359 I360 A366L198-L362 HydrophobicContact CD2-CB 4.47Å; L198-L362 HydrophobicContact CD2-CD2 3.49Å; L198-L362 VanDerWaalsContact CD2-CD2 3.49Å; L198-L362 HydrophobicContact CD2-CG 3.49Å; L198-L362 VanDerWaalsContact CD2-CG 3.49Å; I358-L362 HydrophobicContact CG2-CD1 4.03Å; I358-L362 HydrophobicContact CG2-CG 4.49Å; I358-L362 WeakPolarHBondContact O-CB 3.35Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.44Å; I358-L362 PolarHBondContact O-N 2.96Å; G359-L362 PolarHBondContact O-N 3.17Å; I360-L362 VanDerWaalsContact C-N 3.32Å; I360-L362 PolarHBondContact O-N 3.23Å; L362-A366 WeakPolarHBondContact O-CB 3.49Å; L362-A366 PolarHBondContact O-N 3.14Å; L362-A366 VanDerWaalsContact O-N 3.12Å
363Q91.5Very high84.9Confident100 Ų10059.5 Ų59.547%0.46733%0.325SS..Hα-helixtrans-66.5-43.4179.5-175.1175.64.200112.4G359 I360 Y361 A366G359-Q363 PolarHBondContact O-N 3.21Å; G359-Q363 VanDerWaalsContact O-N 3.07Å; I360-Q363 WeakPolarHBondContact O-CB 3.33Å; I360-Q363 PolarHBondContact O-N 2.83Å; I360-Q363 VanDerWaalsContact O-N 3.08Å; Y361-Q363 VanDerWaalsContact C-N 3.33Å; Q363-A366 WeakPolarHBondContact O-CB 3.37Å; Q363-A366 PolarHBondContact O-N 3.36Å
364E90.9Very high84.6Confident11 Ų1159.6 Ų59.65%0.05133%0.329CS..Hα-helixtrans-77.4-37.2-179-60-45.3110.900112.5Q323 A326 Q327 L330 I360 A366 K367Q323-E364 PolarHBondContact NE2-OE1 3.2Å; A326-E364 HydrophobicContact CB-CG 4.26Å; Q327-E364 HydrophobicContact CG-CG 3.89Å; Q327-E364 WeakPolarHBondContact CG-OE2 3.49Å; Q327-E364 PolarHBondContact NE2-OE2 2.94Å; L330-E364 HydrophobicContact CD1-CB 3.42Å; L330-E364 VanDerWaalsContact CD1-CB 3.42Å; I360-E364 HydrophobicContact CG2-CG 4.47Å; I360-E364 WeakPolarHBondContact O-CG 3.47Å; I360-E364 PolarHBondContact O-N 3.04Å; E364-A366 PolarHBondContact O-N 2.96Å; E364-K367 WeakPolarHBondContact O-CB 3.49Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 VanDerWaalsContact O-N 3.08Å; E364-K367 VanDerWaalsContact OE1-CE 3.31Å; E364-K367 WeakPolarHBondContact OE1-CE 3.21Å; E364-K367 IonicContact OE1-NZ 2.85Å; E364-K367 PolarHBondContact OE1-NZ 3.5Å; E364-K367 WeakPolarHBondContact OE2-CE 3.33Å; E364-K367 IonicContact OE2-NZ 3.41Å; E364-K367 PolarHBondContact OE2-NZ 3.08Å
365M89.3Confident84.3Confident3 Ų360.4 Ų60.42%0.01533%0.334CS..Hα-helixtrans-62-31.4171.2-74.6-178.96500111.6K188 L196 L198 L330 F350 Y361 K367 L368K188-M365 HydrophobicContact CB-CE 4.05Å; K188-M365 WeakPolarHBondContact CD-O 3.39Å; K188-M365 WeakPolarHBondContact CE-O 3.49Å; K188-M365 PolarHBondContact NZ-O 2.83Å; L196-M365 HydrophobicContact CB-CE 3.81Å; L196-M365 WeakPolarHBondContact O-CE 3.39Å; L198-M365 HydrophobicContact CB-SD 3.97Å; L198-M365 HydrophobicContact CD1-SD 4.26Å; L330-M365 HydrophobicContact CD1-CG 3.96Å; L330-M365 HydrophobicContact CD2-CG 3.76Å; F350-M365 HydrophobicContact CD2-SD 4.01Å; F350-M365 HydrophobicContact CE2-SD 4.35Å; Y361-M365 WeakPolarHBondContact O-CB 3.42Å; Y361-M365 WeakPolarHBondContact O-CG 3.32Å; Y361-M365 PolarHBondContact O-N 3.26Å; M365-K367 PolarHBondContact O-N 3.14Å; M365-L368 PolarHBondContact O-N 3.28Å
366A87.4Confident84Confident71 Ų7158 Ų5859%0.58731%0.311SS*.Hα-helixtrans-60.9-29.2175.200000112.9K188 L362 Q363 E364K188-A366 PolarHBondContact NZ-O 3Å; L362-A366 WeakPolarHBondContact O-CB 3.49Å; L362-A366 PolarHBondContact O-N 3.14Å; L362-A366 VanDerWaalsContact O-N 3.12Å; Q363-A366 WeakPolarHBondContact O-CB 3.37Å; Q363-A366 PolarHBondContact O-N 3.36Å; E364-A366 PolarHBondContact O-N 2.96Å
367K86Confident83.5Confident111 Ų11153.5 Ų53.548%0.48329%0.293SS..Hα-helixtrans-82.2-19.2-178.6-58.6175.4-169.2170.70115.5E364 M365E364-K367 WeakPolarHBondContact O-CB 3.49Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 VanDerWaalsContact O-N 3.08Å; E364-K367 VanDerWaalsContact OE1-CE 3.31Å; E364-K367 WeakPolarHBondContact OE1-CE 3.21Å; E364-K367 IonicContact OE1-NZ 2.85Å; E364-K367 PolarHBondContact OE1-NZ 3.5Å; E364-K367 WeakPolarHBondContact OE2-CE 3.33Å; E364-K367 IonicContact OE2-NZ 3.41Å; E364-K367 PolarHBondContact OE2-NZ 3.08Å; M365-K367 PolarHBondContact O-N 3.14Å
368L80.3Confident83Confident27 Ų2757.3 Ų57.314%0.14131%0.314CS..SBendtrans-65.2156.2176.7-66.4178000111.2K188 L190 L196 L330 M365K188-L368 HydrophobicContact CD-CB 4.38Å; K188-L368 WeakPolarHBondContact CE-O 3.44Å; K188-L368 PolarHBondContact NZ-O 3.07Å; L190-L368 HydrophobicContact CD2-CD1 4.46Å; L196-L368 HydrophobicContact CD1-CD1 3.56Å; L330-L368 HydrophobicContact CB-CD1 4.27Å; L330-L368 HydrophobicContact CB-CD2 4.37Å; L330-L368 HydrophobicContact CD2-CD1 3.98Å; M365-L368 PolarHBondContact O-N 3.28Å
369D66Low82.3Confident101 Ų10160.7 Ų60.754%0.5433%0.333SS..  trans-71.1137.9171-47.1-44.7000109.9
370A61Low81.5Confident42 Ų4262.8 Ų62.835%0.34733%0.33SS..  trans-117.7160.617500000111.1K188 S189K188-A370 HydrophobicContact CD-CB 4.24Å; K188-A370 HydrophobicContact CG-CB 3.91Å; S189-A370 WeakPolarHBondContact O-CA 3.3Å
371K47.2Very low80.4Confident191 Ų19166.6 Ų66.683%0.8335%0.35SS*.  trans-89.50172.7-170.4175.2-175166.10112.9S189S189-K371 PolarHBondContact O-N 2.95Å; S189-K371 VanDerWaalsContact O-N 3.12Å

Retrieved 371 of 371 residues in 2284.7 ms (Link to these results)

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