Q99PS3_RAT Loading...

Interleukin-5 receptor subunit alpha

Cell surface receptor that plays an important role in the survival, differentiation, and chemotaxis of eosinophils. Acts by forming a heterodimeric receptor with CSF2RB subunit and subsequently binding to interleukin-5. In unstimulated conditions, interacts constitutively with JAK2. Heterodimeric receptor activation leads to JAK2 stimulation and subsequent activation of the JAK-STAT pathway.

AlphaFold DB , UniProt , Accession Q99PS3, Species RAT (Rattus norvegicus, Rat), Gene Il5ra, Length 414 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
1M39.1Very low37.1Very low246 Ų246141.3 Ų141.3100%1.21282%0.823SS**  0116.60-141.9173.9-74.700106.5
2V36.8Very low37.3Very low122 Ų122140.3 Ų140.374%0.73983%0.83SS**  trans-75.9148.8-177.31730000108.7V4V2-V4 HydrophobicContact CG1-CG2 3.78Å
3P44.2Very low37.1Very low120 Ų120136.5 Ų136.578%0.77982%0.824SS**  -138.2133.386.414.910.5000114.4
4V36.8Very low37.1Very low108 Ų108136.5 Ų136.566%0.65583%0.825SS**  76.6119.983.7174.90000113.7V2V2-V4 HydrophobicContact CG1-CG2 3.78Å
5L33.9Very low37Very low151 Ų151139 Ų13979%0.79183%0.831SS**  162.9101.5116.7-151.572.2000109.3
6L34.4Very low36.9Very low133 Ų133140 Ų14070%0.69682%0.824SS**  72.399.387.8-95.6156.9000116.2
7I39.8Very low36.9Very low137 Ų137136.6 Ų136.670%0.70382%0.815SS**  trans37.7117133.3-52.3175.4000118.5M9I7-M9 HydrophobicContact CG2-CG 4.5Å
8L34.8Very low36.8Very low181 Ų181136.3 Ų136.395%0.94881%0.809SS**  trans-110.8108.2156.2-99.5155.1000109.2
9M36.2Very low36.9Very low173 Ų173137.3 Ų137.385%0.85281%0.809SS**  trans-103.2143.3158.9-90.1-149.3-97.600108.8I7I7-M9 HydrophobicContact CG2-CG 4.5Å
10G38.4Very low37Very low81 Ų81138.6 Ų138.684%0.83581%0.811SS**  trans-72.8163.9-169.400000115.9
11A33.9Very low37.2Very low102 Ų102136.3 Ų136.384%0.84380%0.803SS**  trans-147.7133.2152.900000108.3
12S39.6Very low37.4Very low129 Ų129130.2 Ų130.290%0.90278%0.782SS**  trans-56.2128.7179.8-12.30000111.6
13A34.7Very low37.9Very low92 Ų92133.4 Ų133.476%0.7679%0.789SS**  trans-114.6115.2159.200000107.7L15A13-L15 PolarHBondContact O-N 3.48Å
14T37.3Very low38.6Very low136 Ų136137.1 Ų137.183%0.83479%0.792SS**  trans-43.5117.5169.744.80000111H16T14-H16 PolarHBondContact O-N 3.49Å
15L35.4Very low40.1Very low174 Ų174135.7 Ų135.791%0.91178%0.778SS**  trans-64.6101.5162.7-87.1159.7000107A13 A17A13-L15 PolarHBondContact O-N 3.48Å; L15-A17 PolarHBondContact O-N 2.84Å; L15-A17 VanDerWaalsContact O-N 3.07Å
16H35.8Very low42.3Very low155 Ų155134.3 Ų134.372%0.71877%0.77SS**  trans-57111.4162.3-152.968.5000105.7T14 D18T14-H16 PolarHBondContact O-N 3.49Å; H16-D18 IonicContact CD2-OD1 3.58Å; H16-D18 PolarHBondContact O-N 3.26Å
17A36.6Very low45Very low82 Ų82128.4 Ų128.468%0.67874%0.739SS**  trans-64.693.5165.700000106L15 L19L15-A17 PolarHBondContact O-N 2.84Å; L15-A17 VanDerWaalsContact O-N 3.07Å; A17-L19 PolarHBondContact O-N 3.03Å
18D34.8Very low47.5Very low131 Ų131124 Ų12470%0.70172%0.717SS**  trans-62.196.8162.7-85.1-24.4000106.4H16 L20H16-D18 IonicContact CD2-OD1 3.58Å; H16-D18 PolarHBondContact O-N 3.26Å; D18-L20 PolarHBondContact O-N 3.37Å
19L39.2Very low50.4Low156 Ų156116.9 Ų116.982%0.81768%0.682SS**  trans-5783156-97.7119.3000107.3A17 S21A17-L19 PolarHBondContact O-N 3.03Å; L19-S21 PolarHBondContact O-N 2.93Å
20L38.1Very low53.2Low163 Ų163108.8 Ų108.885%0.85364%0.642SS**  trans-60.997.2155.3-82.2163.5000106.2D18D18-L20 PolarHBondContact O-N 3.37Å
21S41.6Very low56Low91 Ų91107.1 Ų107.164%0.63662%0.616SS**  trans-51.3133163.9-55.40000106.9L19 E23L19-S21 PolarHBondContact O-N 2.93Å; S21-E23 PolarHBondContact O-N 3.44Å
22P43.4Very low59Low118 Ų118107.4 Ų107.477%0.76660%0.603SS**  trans-62.5113.3170.226.3-29.5000105.8K24P22-K24 PolarHBondContact O-N 3.46Å
23E47Very low61.8Low189 Ų189102.2 Ų102.288%0.88356%0.564SS**  trans-49.3112.6165.8-83.9-176.6150.100106.2S21 F25S21-E23 PolarHBondContact O-N 3.44Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.16Å
24K58.8Low64.7Low198 Ų198100.2 Ų100.286%0.86154%0.543SS*.  trans-63.8101.4173.9-78.2-178.3178178.20105.3P22 L26P22-K24 PolarHBondContact O-N 3.46Å; K24-L26 PolarHBondContact O-N 3.1Å
25F68.8Low67.6Low78 Ų7894.8 Ų94.834%0.34251%0.508SS..  trans-54105.1172-172.2-92.2000107.7E23 L27 V56 L97 L104E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.16Å; F25-L27 HydrophobicContact CD1-CD2 4.42Å; F25-L27 HydrophobicContact CD1-CG 4.48Å; F25-L27 HydrophobicContact CE1-CD2 3.64Å; F25-L27 HydrophobicContact CE1-CG 4.16Å; F25-L27 HydrophobicContact CZ-CD2 4.47Å; F25-V56 HydrophobicContact CZ-CG2 4.13Å; F25-L97 HydrophobicContact CD1-CD2 4.19Å; F25-L97 HydrophobicContact CE1-CD2 3.69Å; F25-L97 HydrophobicContact CZ-CD2 4.39Å; F25-L104 HydrophobicContact CB-CD1 4.38Å; F25-L104 HydrophobicContact CD1-CD1 3.87Å
26L80.5Confident70.5Confident122 Ų12292.6 Ų92.664%0.63949%0.491SS*.PPolyproline II helixtrans-101.2118.8-174.1-170.2145.7000107.7K24 L28K24-L26 PolarHBondContact O-N 3.1Å; L26-L28 HydrophobicContact CD2-CD2 3.63Å; L26-L28 HydrophobicContact CD2-CG 4.44Å
27L89.6Confident73.3Confident9 Ų988.1 Ų88.15%0.04748%0.481CS..PPolyproline II helixtrans-79.4126.6174.4-75.6175.3000110.2F25 L58 T95 L97 L104 S106F25-L27 HydrophobicContact CD1-CD2 4.42Å; F25-L27 HydrophobicContact CD1-CG 4.48Å; F25-L27 HydrophobicContact CE1-CD2 3.64Å; F25-L27 HydrophobicContact CE1-CG 4.16Å; F25-L27 HydrophobicContact CZ-CD2 4.47Å; L27-L58 HydrophobicContact CD2-CD2 3.88Å; L27-T95 HydrophobicContact CD2-CG2 4.14Å; L27-L97 HydrophobicContact CD1-CB 3.74Å; L27-L97 HydrophobicContact CD2-CB 4.28Å; L27-L97 HydrophobicContact CG-CB 4.48Å; L27-L104 VanDerWaalsContact CD1-C 3.43Å; L27-L104 HydrophobicContact CD1-CB 3.62Å; L27-L104 VanDerWaalsContact CD1-O 3.23Å; L27-L104 WeakPolarHBondContact CD1-O 3.32Å; L27-L104 HydrophobicContact CG-CB 4.25Å; L27-S106 WeakPolarHBondContact O-CA 3.29Å; L27-S106 WeakPolarHBondContact O-CB 3.48Å
28L93.2Very high76Confident45 Ų4588.1 Ų88.124%0.23647%0.473CS..PPolyproline II helixtrans-87143.2175.8-61.1176.1000110.9L26 N50 D52 Q53 T95 S106L26-L28 HydrophobicContact CD2-CD2 3.63Å; L26-L28 HydrophobicContact CD2-CG 4.44Å; L28-N50 HydrophobicContact CB-CB 3.88Å; L28-D52 HydrophobicContact CD1-CB 3.65Å; L28-Q53 HydrophobicContact CD1-CB 4.44Å; L28-T95 WeakPolarHBondContact O-CB 3.49Å; L28-T95 PolarHBondContact O-OG1 3.49Å; L28-S106 VanDerWaalsContact C-CB 3.5Å
29P95.3Very high78.7Confident31 Ų3183.3 Ų83.320%0.20145%0.454CS..PPolyproline II helixtrans-67.1151.2176.928.4-35.3000111.8N50 S106 S107 V109P29-N50 WeakPolarHBondContact O-CB 3.36Å; P29-N50 PolarHBondContact O-ND2 3.2Å; P29-S106 WeakPolarHBondContact CA-OG 3.4Å; P29-S107 WeakPolarHBondContact CG-OG 3.47Å; P29-V109 HydrophobicContact CB-CG2 3.63Å
30P95.8Very high81.3Confident3 Ų377.5 Ų77.52%0.01942%0.424CS..PPolyproline II helixtrans-63.3158.417330.4-35.5000110.9W47 D48 Y60 V93 T95 V109P30-W47 HydrophobicContact CB-CB 4.17Å; P30-W47 HydrophobicContact CB-CG 4.13Å; P30-D48 WeakPolarHBondContact CA-O 3.27Å; P30-D48 WeakPolarHBondContact CB-O 3.28Å; P30-Y60 HydrophobicContact CB-CE1 4.2Å; P30-V93 HydrophobicContact CG-CG1 3.75Å; P30-V93 HydrophobicContact CG-CG2 4.25Å; P30-T95 WeakPolarHBondContact CD-OG1 3.47Å; P30-V109 WeakPolarHBondContact O-CG2 3.46Å
31V96.6Very high83.9Confident46 Ų4669.8 Ų69.828%0.27938%0.384SS..EExtended strand (participates in β ladder)trans-115.2169.2-178.8-60.20000110.9F33 D48V31-F33 PolarHBondContact O-N 3.19Å; V31-F33 VanDerWaalsContact O-N 3.11Å; V31-D48 HydrophobicContact CG2-CB 3.94Å; V31-D48 PolarHBondContact N-O 3.36Å; V31-D48 PolarHBondContact O-N 2.97Å
32N96.5Very high86.5Confident108 Ų10868 Ų6858%0.57837%0.365SS*.EExtended strand (participates in β ladder)trans53.333.8177.7-58.9-28.7000115.1T34 D48N32-T34 PolarHBondContact O-N 3.28Å; N32-D48 HydrophobicContact CB-CB 4.49Å; N32-D48 WeakPolarHBondContact CB-OD2 3.49Å; N32-D48 PolarHBondContact ND2-OD2 3.42Å
33F97.9Very high88.9Confident20 Ų2062.4 Ų62.49%0.08833%0.329CS..EExtended strand (participates in β ladder)trans-66120.3179.1-178.6-134.6000111.3V31 I35 L45 H46 W47 A91 V93 V109 A111V31-F33 PolarHBondContact O-N 3.19Å; V31-F33 VanDerWaalsContact O-N 3.11Å; F33-I35 HydrophobicContact CZ-CD1 4.34Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; F33-L45 HydrophobicContact CE2-CB 4.1Å; F33-L45 HydrophobicContact CE2-CD2 4.29Å; F33-L45 HydrophobicContact CE2-CG 4.43Å; F33-L45 HydrophobicContact CZ-CD2 4.17Å; F33-H46 CarbonylContact C-O 3.53Å; F33-H46 WeakPolarHBondContact CA-O 3.39Å; F33-H46 WeakPolarHBondContact CD2-O 3.29Å; F33-W47 HydrophobicContact CB-CB 4.29Å; F33-W47 HydrophobicContact CD2-CB 4.12Å; F33-W47 HydrophobicContact CD2-CE3 4.03Å; F33-W47 HydrophobicContact CE2-CE3 4Å; F33-A91 WeakPolarHBondContact CE1-O 3.34Å; F33-A91 HydrophobicContact CZ-CB 4.07Å; F33-V93 HydrophobicContact CB-CG1 4.24Å; F33-V93 HydrophobicContact CD1-CG1 3.92Å; F33-V93 HydrophobicContact CD2-CG1 3.67Å; F33-V93 HydrophobicContact CE1-CG1 4.16Å; F33-V93 HydrophobicContact CE2-CG1 3.93Å; F33-V93 HydrophobicContact CG-CG1 3.67Å; F33-V93 HydrophobicContact CZ-CG1 4.17Å; F33-V109 HydrophobicContact CB-CG1 3.77Å; F33-V109 HydrophobicContact CD1-CG1 4.27Å; F33-V109 HydrophobicContact CG-CG1 4.48Å; F33-A111 HydrophobicContact CD1-CB 3.58Å; F33-A111 HydrophobicContact CE1-CB 3.64Å; F33-A111 HydrophobicContact CG-CB 4.36Å; F33-A111 HydrophobicContact CZ-CB 4.45Å
34T97.3Very high91.3Very high50 Ų5055.2 Ų55.231%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-132.4149.7-17858.20000111.5N32 L45 H46N32-T34 PolarHBondContact O-N 3.28Å; T34-L45 WeakPolarHBondContact O-CA 3.34Å; T34-H46 PolarHBondContact N-O 2.85Å; T34-H46 PolarHBondContact O-N 3.49Å; T34-H46 PolarHBondContact OG1-O 3.37Å
35I97.5Very high93.2Very high21 Ų2145.8 Ų45.811%0.10826%0.255CS..EExtended strand (participates in β ladder)trans-122.1124.1174.6-59.8171.4000107.4F33 V43 F89 A91 A111 L113F33-I35 HydrophobicContact CZ-CD1 4.34Å; F33-I35 HydrophobicContact CZ-CG1 4.13Å; I35-V43 HydrophobicContact CG2-CB 4.34Å; I35-V43 HydrophobicContact CG2-CG1 4.47Å; I35-F89 HydrophobicContact CD1-CD1 3.98Å; I35-F89 HydrophobicContact CD1-CE1 3.92Å; I35-F89 HydrophobicContact CG1-CE1 4.46Å; I35-F89 HydrophobicContact CG2-CD1 3.73Å; I35-F89 HydrophobicContact CG2-CE1 3.86Å; I35-A91 HydrophobicContact CD1-CB 4.09Å; I35-A111 VanDerWaalsContact CD1-C 3.46Å; I35-A111 HydrophobicContact CD1-CB 3.73Å; I35-A111 WeakPolarHBondContact CD1-O 3.38Å; I35-A111 HydrophobicContact CG1-CB 3.92Å; I35-L113 HydrophobicContact CG2-CB 4.11Å
36K95.7Very high94.6Very high128 Ų12845.1 Ų45.156%0.55725%0.253SS*.EExtended strand (participates in β ladder)trans-127.6130179.4-65.3179.9-176.9172.50110.4T38 V43 L44K36-T38 PolarHBondContact O-N 3.26Å; K36-V43 CarbonylContact O-C 3.53Å; K36-V43 WeakPolarHBondContact O-CA 3.45Å; K36-L44 PolarHBondContact N-O 3.25Å; K36-L44 PolarHBondContact O-N 3.27Å
37A94.8Very high95.4Very high61 Ų6139.3 Ų39.350%0.50422%0.223SC..EExtended strand (participates in β ladder)trans-71.6123.2168.400000109.4L85 L113A37-L85 HydrophobicContact CB-CD1 4.17Å; A37-L113 HydrophobicContact CB-CD2 4.14Å
38T93.6Very high95.7Very high82 Ų8241.5 Ų41.550%0.50323%0.234SC..EExtended strand (participates in β ladder)trans-108-12.8-178.456.20000113.2K36 Q42 L44K36-T38 PolarHBondContact O-N 3.26Å; T38-Q42 PolarHBondContact N-O 2.91Å; T38-L44 HydrophobicContact CG2-CB 3.64Å; T38-L44 HydrophobicContact CG2-CD2 4.45Å
39G91Very high95.7Very high31 Ų3142.4 Ų42.432%0.3224%0.243SC..EExtended strand (participates in β ladder)trans-179.8-174.3179.700000111.7A41 Q42G39-A41 PolarHBondContact O-N 2.9Å; G39-Q42 PolarHBondContact O-N 2.93Å; G39-Q42 VanDerWaalsContact O-N 3.1Å
40L93.3Very high95.7Very high33 Ų3341.9 Ų41.917%0.17324%0.239CC..THydrogen-bonded Turntrans-60.6120.5179.9-61.6-175.7000111.2Q42 R169 T174 H209L40-Q42 PolarHBondContact O-N 3.27Å; L40-R169 HydrophobicContact CB-CB 3.97Å; L40-R169 HydrophobicContact CD1-CB 4.15Å; L40-R169 HydrophobicContact CG-CB 4.46Å; L40-R169 PolarHBondContact O-NE 2.93Å; L40-R169 PolarHBondContact O-NH2 3.28Å; L40-T174 HydrophobicContact CD1-CG2 3.69Å; L40-T174 HydrophobicContact CG-CG2 4.19Å; L40-H209 HydrophobicContact CD1-CB 3.96Å; L40-H209 HydrophobicContact CD2-CB 3.68Å; L40-H209 HydrophobicContact CG-CB 4.3Å
41A93.9Very high95.5Very high1 Ų146.8 Ų46.81%0.00827%0.271CS..THydrogen-bonded Turntrans50.735.7-175.900000113.4G39 V82 T83 A207 L225G39-A41 PolarHBondContact O-N 2.9Å; A41-V82 CarbonylContact O-C 3.56Å; A41-V82 VanDerWaalsContact O-CA 3.27Å; A41-V82 WeakPolarHBondContact O-CA 3.45Å; A41-T83 CarbonylContact C-O 3.59Å; A41-T83 VanDerWaalsContact C-O 3.29Å; A41-T83 WeakPolarHBondContact CA-O 3.49Å; A41-T83 WeakPolarHBondContact CB-O 3.3Å; A41-T83 PolarHBondContact O-N 3.13Å; A41-A207 HydrophobicContact CB-CB 3.86Å; A41-L225 HydrophobicContact CB-CD2 3.77Å; A41-L225 HydrophobicContact CB-CG 4.42Å
42Q94.9Very high95.1Very high53 Ų5351 Ų5125%0.24829%0.291CS..EExtended strand (participates in β ladder)trans-131.6130178-79-175.6-4.800111.2T38 G39 L40 C81 V82T38-Q42 PolarHBondContact N-O 2.91Å; G39-Q42 PolarHBondContact O-N 2.93Å; G39-Q42 VanDerWaalsContact O-N 3.1Å; L40-Q42 PolarHBondContact O-N 3.27Å; Q42-C81 WeakPolarHBondContact CA-O 3.48Å; Q42-V82 HydrophobicContact CG-CG2 4.32Å
43V95.6Very high94.6Very high1 Ų147 Ų471%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-127.7145175.3-65.90000110.9I35 K36 L45 K80 C81 T83 L85 F89 L113I35-V43 HydrophobicContact CG2-CB 4.34Å; I35-V43 HydrophobicContact CG2-CG1 4.47Å; K36-V43 CarbonylContact O-C 3.53Å; K36-V43 WeakPolarHBondContact O-CA 3.45Å; V43-L45 HydrophobicContact CG2-CD1 3.97Å; V43-K80 WeakPolarHBondContact O-CA 3.25Å; V43-C81 HydrophobicContact CG2-CB 3.72Å; V43-C81 PolarHBondContact N-O 3.49Å; V43-C81 PolarHBondContact O-N 3.39Å; V43-T83 HydrophobicContact CG2-CG2 4.11Å; V43-L85 HydrophobicContact CG1-CD1 3.83Å; V43-L85 HydrophobicContact CG1-CD2 3.44Å; V43-L85 VanDerWaalsContact CG1-CD2 3.44Å; V43-L85 HydrophobicContact CG1-CG 4.28Å; V43-F89 HydrophobicContact CG2-CD1 4.45Å; V43-F89 HydrophobicContact CG2-CE1 3.94Å; V43-F89 HydrophobicContact CG2-CE2 4.17Å; V43-F89 HydrophobicContact CG2-CZ 3.79Å; V43-L113 HydrophobicContact CG1-CD2 4.23Å
44L97Very high93.8Very high38 Ų3851 Ų5120%0.19929%0.291CS..EExtended strand (participates in β ladder)trans-109.2120.2170.8-178.668.9000108.5K36 T38 E78 K80K36-L44 PolarHBondContact N-O 3.25Å; K36-L44 PolarHBondContact O-N 3.27Å; T38-L44 HydrophobicContact CG2-CB 3.64Å; T38-L44 HydrophobicContact CG2-CD2 4.45Å; L44-E78 HydrophobicContact CD1-CB 4.29Å; L44-K80 HydrophobicContact CD1-CG 3.67Å
45L97.9Very high92.5Very high0 Ų055.1 Ų55.10%032%0.319CS..EExtended strand (participates in β ladder)trans-92.8131.7170.1-66.477.7000107.1F33 T34 V43 W47 V62 E78 S79 C81 F89 A91F33-L45 HydrophobicContact CE2-CB 4.1Å; F33-L45 HydrophobicContact CE2-CD2 4.29Å; F33-L45 HydrophobicContact CE2-CG 4.43Å; F33-L45 HydrophobicContact CZ-CD2 4.17Å; T34-L45 WeakPolarHBondContact O-CA 3.34Å; V43-L45 HydrophobicContact CG2-CD1 3.97Å; L45-W47 HydrophobicContact CB-CE3 4.47Å; L45-W47 HydrophobicContact CB-CZ3 3.93Å; L45-V62 HydrophobicContact CD2-CG1 3.88Å; L45-E78 CarbonylContact O-C 3.6Å; L45-E78 VanDerWaalsContact O-CA 3.23Å; L45-E78 WeakPolarHBondContact O-CA 3.31Å; L45-S79 WeakPolarHBondContact CD1-O 3.3Å; L45-S79 PolarHBondContact N-O 2.91Å; L45-S79 PolarHBondContact O-N 3.45Å; L45-C81 HydrophobicContact CD1-CB 4.15Å; L45-C81 WeakPolarHBondContact CD1-SG 3.27Å; L45-F89 HydrophobicContact CD1-CE1 4.46Å; L45-F89 HydrophobicContact CD1-CZ 4.38Å; L45-A91 HydrophobicContact CD2-CB 3.79Å
46H98.1Very high91.5Very high64 Ų6457 Ų5730%0.29633%0.332SS..EExtended strand (participates in β ladder)trans-142.9137-179.3175.367.3000110.3F33 T34 D48 T77F33-H46 CarbonylContact C-O 3.53Å; F33-H46 WeakPolarHBondContact CA-O 3.39Å; F33-H46 WeakPolarHBondContact CD2-O 3.29Å; T34-H46 PolarHBondContact N-O 2.85Å; T34-H46 PolarHBondContact O-N 3.49Å; T34-H46 PolarHBondContact OG1-O 3.37Å; H46-D48 IonicContact CE1-OD1 3.33Å; H46-D48 IonicContact NE2-OD1 2.64Å; H46-T77 PolarHBondContact ND1-O 2.88Å
47W97.3Very high90.7Very high0 Ų056.3 Ų56.30%033%0.334CS..EExtended strand (participates in β ladder)trans-145.5163.317656.793.6000109.9P30 F33 L45 Y60 V62 T74 N76 T77 V93P30-W47 HydrophobicContact CB-CB 4.17Å; P30-W47 HydrophobicContact CB-CG 4.13Å; F33-W47 HydrophobicContact CB-CB 4.29Å; F33-W47 HydrophobicContact CD2-CB 4.12Å; F33-W47 HydrophobicContact CD2-CE3 4.03Å; F33-W47 HydrophobicContact CE2-CE3 4Å; L45-W47 HydrophobicContact CB-CE3 4.47Å; L45-W47 HydrophobicContact CB-CZ3 3.93Å; W47-Y60 AromaticContact CD1-CD1 3.98Å; W47-Y60 AromaticContact CD1-CE1 3.84Å; W47-Y60 AromaticContact CE2-CG 3.82Å; W47-Y60 HydrophobicContact CZ2-CD2 4Å; W47-Y60 AromaticContact CZ2-CG 3.87Å; W47-Y60 HydrophobicContact CZ2-CG 3.87Å; W47-Y60 AromaticContact NE1-CD1 3.27Å; W47-Y60 VanDerWaalsContact NE1-CD1 3.27Å; W47-Y60 AromaticContact NE1-CD2 3.39Å; W47-Y60 AromaticContact NE1-CE1 3.46Å; W47-Y60 AromaticContact NE1-CE2 3.58Å; W47-Y60 AromaticContact NE1-CG 3.23Å; W47-Y60 AromaticContact NE1-CZ 3.61Å; W47-V62 HydrophobicContact CH2-CG2 3.6Å; W47-V62 HydrophobicContact CZ2-CG2 4.2Å; W47-V62 HydrophobicContact CZ3-CG2 4.21Å; W47-T74 HydrophobicContact CH2-CG2 3.93Å; W47-T74 HydrophobicContact CZ2-CG2 3.87Å; W47-N76 WeakPolarHBondContact CZ2-O 3.24Å; W47-T77 PolarHBondContact N-O 3.28Å; W47-T77 VanDerWaalsContact O-CB 3.29Å; W47-T77 WeakPolarHBondContact O-CB 3.33Å; W47-V93 HydrophobicContact CD2-CG1 4.38Å; W47-V93 HydrophobicContact CD2-CG2 4.04Å; W47-V93 HydrophobicContact CE3-CG1 4.46Å; W47-V93 HydrophobicContact CE3-CG2 4.33Å; W47-V93 HydrophobicContact CG-CG1 4.44Å; W47-V93 HydrophobicContact CH2-CG2 4.35Å; W47-V93 HydrophobicContact CZ2-CG2 4.04Å; W47-V93 HydrophobicContact CZ3-CG2 4.49Å
48D96.1Very high90.3Very high55 Ų5554.6 Ų54.629%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-108.6147173.3-65.5-45.5000110.2P30 V31 N32 H46P30-D48 WeakPolarHBondContact CA-O 3.27Å; P30-D48 WeakPolarHBondContact CB-O 3.28Å; V31-D48 HydrophobicContact CG2-CB 3.94Å; V31-D48 PolarHBondContact N-O 3.36Å; V31-D48 PolarHBondContact O-N 2.97Å; N32-D48 HydrophobicContact CB-CB 4.49Å; N32-D48 WeakPolarHBondContact CB-OD2 3.49Å; N32-D48 PolarHBondContact ND2-OD2 3.42Å; H46-D48 IonicContact CE1-OD1 3.33Å; H46-D48 IonicContact NE2-OD1 2.64Å
49P94.3Very high90.3Very high64 Ų6452.1 Ų52.142%0.41630%0.299SS..  trans-57.4148168.6-18.430.7000110.4T77P49-T77 HydrophobicContact CG-CG2 3.98Å
50N94.2Very high90.5Very high21 Ų2151 Ų5111%0.11229%0.285CS..  trans-67.5125176.9-163.4-55.7000110L28 P29 D52 Q53L28-N50 HydrophobicContact CB-CB 3.88Å; P29-N50 WeakPolarHBondContact O-CB 3.36Å; P29-N50 PolarHBondContact O-ND2 3.2Å; N50-D52 PolarHBondContact O-N 3.48Å; N50-D52 PolarHBondContact OD1-N 3.01Å; N50-Q53 HydrophobicContact CB-CB 4.1Å; N50-Q53 WeakPolarHBondContact O-CB 3.34Å; N50-Q53 PolarHBondContact O-N 3.01Å; N50-Q53 VanDerWaalsContact O-N 3.16Å
51P91.3Very high90.6Very high106 Ų10650.5 Ų50.569%0.68828%0.282SS*.THydrogen-bonded Turntrans-65.6-24.4-177.627.2-36.1000113.4Q53P51-Q53 VanDerWaalsContact C-N 3.27Å
52D89.6Confident90.8Very high134 Ų13450.4 Ų50.472%0.71728%0.281SS*.THydrogen-bonded Turntrans-871.9-179.7-57.2-38.6000112.2L28 N50L28-D52 HydrophobicContact CD1-CB 3.65Å; N50-D52 PolarHBondContact O-N 3.48Å; N50-D52 PolarHBondContact OD1-N 3.01Å
53Q86.2Confident90.9Very high23 Ų2350 Ų5011%0.10728%0.279CS..SBendtrans-90.8133.1178.4-175.466.268.300110.6L28 N50 P51 L58L28-Q53 HydrophobicContact CD1-CB 4.44Å; N50-Q53 HydrophobicContact CB-CB 4.1Å; N50-Q53 WeakPolarHBondContact O-CB 3.34Å; N50-Q53 PolarHBondContact O-N 3.01Å; N50-Q53 VanDerWaalsContact O-N 3.16Å; P51-Q53 VanDerWaalsContact C-N 3.27Å; Q53-L58 HydrophobicContact CG-CD1 3.68Å; Q53-L58 HydrophobicContact CG-CD2 4.24Å
54D80.3Confident91Very high104 Ų10450.6 Ų50.656%0.55628%0.282SS*.  trans-55.4144.2174.2-69.6-41000112V56D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 HydrophobicContact CB-CG2 4.22Å; D54-V56 PolarHBondContact O-N 3.34Å
55P69.2Low90.9Very high137 Ų13751 Ų5189%0.8928%0.284SS*.SBendtrans-68.786.6-179.527.8-33.7000110.9
56V76.4Confident90.7Very high62 Ų6253.8 Ų53.838%0.37630%0.301SS..  trans-115.7157.7177.2-177.40000108.8F25 D54 L58 L97F25-V56 HydrophobicContact CZ-CG2 4.13Å; D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 HydrophobicContact CB-CG2 4.22Å; D54-V56 PolarHBondContact O-N 3.34Å; V56-L58 HydrophobicContact CB-CD2 4.15Å; V56-L58 WeakPolarHBondContact O-CG 3.25Å; V56-L58 PolarHBondContact O-N 3.38Å; V56-L97 HydrophobicContact CG1-CD1 3.85Å
57D80.7Confident90.3Very high113 Ų11353 Ų5360%0.60430%0.302SS*.  trans-69.781.4170.6-173.523.9000109.4K75D57-K75 VanDerWaalsContact CG-NZ 3.34Å; D57-K75 IonicContact OD1-NZ 2.73Å; D57-K75 PolarHBondContact OD1-NZ 3.05Å; D57-K75 VanDerWaalsContact OD1-NZ 3.15Å; D57-K75 IonicContact OD2-NZ 3.77Å; D57-K75 PolarHBondContact OD2-NZ 2.99Å
58L85.6Confident90Very high24 Ų2460.4 Ų60.413%0.12634%0.336CS..  trans-78.7142.2-178.5-59.8173.3000110.8L27 Q53 V56 T95L27-L58 HydrophobicContact CD2-CD2 3.88Å; Q53-L58 HydrophobicContact CG-CD1 3.68Å; Q53-L58 HydrophobicContact CG-CD2 4.24Å; V56-L58 HydrophobicContact CB-CD2 4.15Å; V56-L58 WeakPolarHBondContact O-CG 3.25Å; V56-L58 PolarHBondContact O-N 3.38Å; L58-T95 HydrophobicContact CB-CG2 4.09Å; L58-T95 HydrophobicContact CD1-CG2 4.15Å; L58-T95 HydrophobicContact CD2-CG2 3.86Å; L58-T95 HydrophobicContact CG-CG2 4.24Å
59E92.9Very high89.9Confident30 Ų3064.5 Ų64.514%0.1435%0.353CS..EExtended strand (participates in β ladder)trans-112.3160.1168.2-81.2-179.3-151.800110K75 I96 K98E59-K75 HydrophobicContact CG-CD 4.44Å; E59-K75 HydrophobicContact CG-CG 3.65Å; E59-K75 WeakPolarHBondContact OE1-CE 3.5Å; E59-K75 IonicContact OE1-NZ 3.58Å; E59-I96 HydrophobicContact CB-CD1 4.05Å; E59-I96 HydrophobicContact CB-CG1 3.67Å; E59-I96 PolarHBondContact N-O 3.05Å; E59-I96 VanDerWaalsContact N-O 3.11Å; E59-I96 WeakPolarHBondContact O-CG1 3.4Å; E59-I96 PolarHBondContact O-N 2.79Å; E59-I96 VanDerWaalsContact O-O 3.1Å; E59-K98 VanDerWaalsContact OE2-CD 3.26Å; E59-K98 WeakPolarHBondContact OE2-CD 3.38Å; E59-K98 WeakPolarHBondContact OE2-CE 3.44Å; E59-K98 IonicContact OE2-NZ 3.15Å; E59-K98 PolarHBondContact OE2-NZ 2.98Å
60Y95.1Very high90Very high8 Ų865.8 Ų65.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-121.6137.4177.7-56.1-77.3000110.1P30 W47 D73 T74 N76 T77 V93 R94 T95P30-Y60 HydrophobicContact CB-CE1 4.2Å; W47-Y60 AromaticContact CD1-CD1 3.98Å; W47-Y60 AromaticContact CD1-CE1 3.84Å; W47-Y60 AromaticContact CE2-CG 3.82Å; W47-Y60 HydrophobicContact CZ2-CD2 4Å; W47-Y60 AromaticContact CZ2-CG 3.87Å; W47-Y60 HydrophobicContact CZ2-CG 3.87Å; W47-Y60 AromaticContact NE1-CD1 3.27Å; W47-Y60 VanDerWaalsContact NE1-CD1 3.27Å; W47-Y60 AromaticContact NE1-CD2 3.39Å; W47-Y60 AromaticContact NE1-CE1 3.46Å; W47-Y60 AromaticContact NE1-CE2 3.58Å; W47-Y60 AromaticContact NE1-CG 3.23Å; W47-Y60 AromaticContact NE1-CZ 3.61Å; Y60-D73 CarbonylContact O-C 3.45Å; Y60-D73 VanDerWaalsContact O-CA 3.31Å; Y60-D73 WeakPolarHBondContact O-CA 3.12Å; Y60-T74 PolarHBondContact N-O 3.49Å; Y60-T74 PolarHBondContact O-N 3.01Å; Y60-N76 WeakPolarHBondContact CD2-O 3.17Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å; Y60-V93 HydrophobicContact CD1-CG2 4.5Å; Y60-R94 WeakPolarHBondContact CA-O 3.46Å; Y60-T95 HydrophobicContact CE1-CG2 4.48Å
61H96.3Very high90.1Very high22 Ų2269.3 Ų69.310%0.10237%0.373CS..EExtended strand (participates in β ladder)trans-107119.5172.7-176.370.9000108.4E71 D73 V93 R94 I96 W108H61-E71 IonicContact CE1-OE2 3.99Å; H61-E71 IonicContact NE2-OE2 3.82Å; H61-D73 IonicContact CE1-OD1 3.54Å; H61-D73 IonicContact CG-OD1 3.77Å; H61-D73 IonicContact ND1-OD1 3.88Å; H61-D73 PolarHBondContact ND1-OD1 2.94Å; H61-V93 WeakPolarHBondContact O-CA 3.36Å; H61-R94 HydrophobicContact CB-CG 4.02Å; H61-R94 PolarHBondContact N-O 3.4Å; H61-R94 PolarHBondContact O-N 3.32Å; H61-I96 HydrophobicContact CB-CD1 4.11Å; H61-I96 HydrophobicContact CB-CG1 4.28Å; H61-I96 HydrophobicContact CB-CG2 3.71Å; H61-W108 AromaticContact CD2-CH2 3.3Å; H61-W108 WeakPolarHBondContact CD2-CH2 3.29Å; H61-W108 AromaticContact CD2-CZ2 3.97Å; H61-W108 AromaticContact NE2-CH2 3.86Å
62V97.6Very high90.3Very high0 Ų067 Ų670%035%0.351CS..EExtended strand (participates in β ladder)trans-106.9133.1-177.6-178.40000108.7L45 W47 E71 Y72 T74 V93L45-V62 HydrophobicContact CD2-CG1 3.88Å; W47-V62 HydrophobicContact CH2-CG2 3.6Å; W47-V62 HydrophobicContact CZ2-CG2 4.2Å; W47-V62 HydrophobicContact CZ3-CG2 4.21Å; V62-E71 VanDerWaalsContact O-CA 3.31Å; V62-E71 WeakPolarHBondContact O-CA 3.3Å; V62-Y72 HydrophobicContact CB-CD2 4.31Å; V62-Y72 HydrophobicContact CB-CE1 4.15Å; V62-Y72 HydrophobicContact CB-CE2 3.86Å; V62-Y72 HydrophobicContact CG1-CE1 4.02Å; V62-Y72 HydrophobicContact CG1-CE2 4.29Å; V62-Y72 HydrophobicContact CG2-CE2 4.05Å; V62-Y72 PolarHBondContact N-O 3.34Å; V62-Y72 PolarHBondContact O-N 3.41Å; V62-T74 HydrophobicContact CG2-CG2 4.03Å; V62-V93 HydrophobicContact CG2-CG2 4.03Å
63K97.6Very high90.5Very high45 Ų4564 Ų6420%0.19634%0.335CS..EExtended strand (participates in β ladder)trans-122.1119.5173.8177.2177.2-178.2122.60109.6N65 D70 E71 A91 S92 W108K63-N65 WeakPolarHBondContact CD-OD1 3.16Å; K63-N65 WeakPolarHBondContact CE-OD1 3.22Å; K63-N65 WeakPolarHBondContact CG-OD1 3.31Å; K63-D70 CarbonylContact C-O 3.53Å; K63-D70 WeakPolarHBondContact CA-O 3.47Å; K63-E71 HydrophobicContact CB-CG 3.89Å; K63-E71 HydrophobicContact CD-CG 4.3Å; K63-E71 VanDerWaalsContact CD-OE1 3.22Å; K63-E71 WeakPolarHBondContact CD-OE1 3.38Å; K63-E71 WeakPolarHBondContact CE-OE1 3.46Å; K63-E71 HydrophobicContact CG-CG 3.71Å; K63-E71 IonicContact NZ-OE1 3.98Å; K63-E71 PolarHBondContact NZ-OE1 3.08Å; K63-A91 CarbonylContact O-C 3.48Å; K63-A91 VanDerWaalsContact O-CA 3.24Å; K63-A91 WeakPolarHBondContact O-CA 3.27Å; K63-S92 PolarHBondContact N-O 3.25Å; K63-S92 PolarHBondContact O-N 3.03Å; K63-W108 HydrophobicContact CB-CH2 3.65Å; K63-W108 HydrophobicContact CB-CZ3 3.76Å; K63-W108 HydrophobicContact CD-CH2 4.29Å
64I96.9Very high90.9Very high13 Ų1364 Ų647%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-82.4124.9164.8-55.2-179.4000106.5Q68 E69 D70 Y72 C81 F89I64-Q68 WeakPolarHBondContact CG2-O 3.33Å; I64-E69 VanDerWaalsContact O-CA 3.3Å; I64-E69 WeakPolarHBondContact O-CA 3.24Å; I64-D70 HydrophobicContact CB-CB 4.31Å; I64-D70 HydrophobicContact CD1-CB 4.29Å; I64-D70 PolarHBondContact N-O 3.36Å; I64-D70 PolarHBondContact O-N 3.49Å; I64-Y72 HydrophobicContact CD1-CE1 4.42Å; I64-C81 HydrophobicContact CD1-CB 4.36Å; I64-F89 HydrophobicContact CD1-CE2 4.49Å; I64-F89 HydrophobicContact CG1-CZ 4.44Å; I64-F89 HydrophobicContact CG2-CD2 4.49Å; I64-F89 HydrophobicContact CG2-CE2 3.69Å; I64-F89 HydrophobicContact CG2-CZ 4.15Å
65N94.9Very high91.6Very high47 Ų4764.1 Ų64.125%0.25133%0.332SS..EExtended strand (participates in β ladder)trans-95.7-40.6-179.4-58.4-57.9000111.3K63 A90 S92K63-N65 WeakPolarHBondContact CD-OD1 3.16Å; K63-N65 WeakPolarHBondContact CE-OD1 3.22Å; K63-N65 WeakPolarHBondContact CG-OD1 3.31Å; N65-A90 HydrophobicContact CB-CB 4.35Å; N65-A90 PolarHBondContact N-O 3.3Å; N65-S92 PolarHBondContact ND2-OG 3.48Å
66V94.3Very high92.8Very high58 Ų5862.6 Ų62.635%0.35232%0.316SS..EExtended strand (participates in β ladder)trans-144.6141.2-174.5-173.60000108C88 F89 A90V66-C88 VanDerWaalsContact CG1-O 3.25Å; V66-C88 WeakPolarHBondContact CG1-O 3.21Å; V66-F89 WeakPolarHBondContact O-CA 3.19Å; V66-F89 VanDerWaalsContact O-CD2 3.31Å; V66-F89 WeakPolarHBondContact O-CD2 3.37Å; V66-A90 HydrophobicContact CB-CB 4.35Å; V66-A90 HydrophobicContact CG2-CB 4.42Å; V66-A90 PolarHBondContact N-O 2.95Å; V66-A90 PolarHBondContact O-N 3.19Å
67P90.2Very high93.7Very high48 Ų4862 Ų6231%0.31231%0.312SS..SBendcis-81.8-21.36.532.1-36.3000115.4T83P67-T83 WeakPolarHBondContact CG-OG1 2.95Å
68Q91.3Very high94.4Very high154 Ų15461.1 Ų61.172%0.7231%0.305SS*.SBendtrans-129.9130.3178.5-178.4176.7-1000108.7I64 D70I64-Q68 WeakPolarHBondContact CG2-O 3.33Å; Q68-D70 PolarHBondContact O-N 3.03Å
69E93.8Very high94.9Very high141 Ų14160.9 Ų60.966%0.65931%0.305SS*.  trans-65.4128.8177-67.1-170.9165.600110.7I64I64-E69 VanDerWaalsContact O-CA 3.3Å; I64-E69 WeakPolarHBondContact O-CA 3.24Å
70D94.9Very high95Very high92 Ų9267.4 Ų67.449%0.49233%0.333SS..EExtended strand (participates in β ladder)trans-152.2147.7174.9-167.619.8000109.4K63 I64 Q68K63-D70 CarbonylContact C-O 3.53Å; K63-D70 WeakPolarHBondContact CA-O 3.47Å; I64-D70 HydrophobicContact CB-CB 4.31Å; I64-D70 HydrophobicContact CD1-CB 4.29Å; I64-D70 PolarHBondContact N-O 3.36Å; I64-D70 PolarHBondContact O-N 3.49Å; Q68-D70 PolarHBondContact O-N 3.03Å
71E96.1Very high94.9Very high94 Ų9467.6 Ų67.644%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-141.6135.4-175.2-69-177.3-170.100110.8H61 V62 K63H61-E71 IonicContact CE1-OE2 3.99Å; H61-E71 IonicContact NE2-OE2 3.82Å; V62-E71 VanDerWaalsContact O-CA 3.31Å; V62-E71 WeakPolarHBondContact O-CA 3.3Å; K63-E71 HydrophobicContact CB-CG 3.89Å; K63-E71 HydrophobicContact CD-CG 4.3Å; K63-E71 VanDerWaalsContact CD-OE1 3.22Å; K63-E71 WeakPolarHBondContact CD-OE1 3.38Å; K63-E71 WeakPolarHBondContact CE-OE1 3.46Å; K63-E71 HydrophobicContact CG-CG 3.71Å; K63-E71 IonicContact NZ-OE1 3.98Å; K63-E71 PolarHBondContact NZ-OE1 3.08Å
72Y95.9Very high94.8Very high59 Ų5969.9 Ų69.923%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-156158.7179.258.7-87.7000112.3V62 I64 S79 C81V62-Y72 HydrophobicContact CB-CD2 4.31Å; V62-Y72 HydrophobicContact CB-CE1 4.15Å; V62-Y72 HydrophobicContact CB-CE2 3.86Å; V62-Y72 HydrophobicContact CG1-CE1 4.02Å; V62-Y72 HydrophobicContact CG1-CE2 4.29Å; V62-Y72 HydrophobicContact CG2-CE2 4.05Å; V62-Y72 PolarHBondContact N-O 3.34Å; V62-Y72 PolarHBondContact O-N 3.41Å; I64-Y72 HydrophobicContact CD1-CE1 4.42Å; Y72-S79 WeakPolarHBondContact CE2-OG 3.47Å; Y72-S79 WeakPolarHBondContact OH-CB 3.45Å; Y72-S79 PolarHBondContact OH-OG 2.69Å; Y72-C81 PolarHBondContact OH-SG 3.34Å; Y72-C81 VanDerWaalsContact OH-SG 3.34Å
73D95.1Very high94.7Very high71 Ų7170.5 Ų70.538%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-99.6145.8175-62.9-15.9000110.9Y60 H61 I96 K98Y60-D73 CarbonylContact O-C 3.45Å; Y60-D73 VanDerWaalsContact O-CA 3.31Å; Y60-D73 WeakPolarHBondContact O-CA 3.12Å; H61-D73 IonicContact CE1-OD1 3.54Å; H61-D73 IonicContact CG-OD1 3.77Å; H61-D73 IonicContact ND1-OD1 3.88Å; H61-D73 PolarHBondContact ND1-OD1 2.94Å; D73-I96 HydrophobicContact CB-CD1 4.45Å; D73-K98 WeakPolarHBondContact OD2-CE 3.31Å; D73-K98 IonicContact OD2-NZ 2.75Å; D73-K98 PolarHBondContact OD2-NZ 3.35Å
74T94.8Very high94.5Very high22 Ų2269.9 Ų69.914%0.13536%0.355CS..EExtended strand (participates in β ladder)trans-148147.1175.6178.90000111.4W47 Y60 V62 N76W47-T74 HydrophobicContact CH2-CG2 3.93Å; W47-T74 HydrophobicContact CZ2-CG2 3.87Å; Y60-T74 PolarHBondContact N-O 3.49Å; Y60-T74 PolarHBondContact O-N 3.01Å; V62-T74 HydrophobicContact CG2-CG2 4.03Å; T74-N76 PolarHBondContact OG1-N 3.42Å; T74-N76 VanDerWaalsContact OG1-N 3.08Å
75K93.6Very high94.4Very high107 Ų10770.2 Ų70.247%0.46536%0.357SS..SBendtrans-87.9-15.1170-75.1-175171.5-132.50113D57 E59D57-K75 VanDerWaalsContact CG-NZ 3.34Å; D57-K75 IonicContact OD1-NZ 2.73Å; D57-K75 PolarHBondContact OD1-NZ 3.05Å; D57-K75 VanDerWaalsContact OD1-NZ 3.15Å; D57-K75 IonicContact OD2-NZ 3.77Å; D57-K75 PolarHBondContact OD2-NZ 2.99Å; E59-K75 HydrophobicContact CG-CD 4.44Å; E59-K75 HydrophobicContact CG-CG 3.65Å; E59-K75 WeakPolarHBondContact OE1-CE 3.5Å; E59-K75 IonicContact OE1-NZ 3.58Å
76N94.6Very high94.2Very high105 Ų10569.5 Ų69.556%0.56135%0.352SS*.SBendtrans-81.8153.5-179.1-60-26.7000110.7W47 Y60 T74 E78W47-N76 WeakPolarHBondContact CZ2-O 3.24Å; Y60-N76 WeakPolarHBondContact CD2-O 3.17Å; T74-N76 PolarHBondContact OG1-N 3.42Å; T74-N76 VanDerWaalsContact OG1-N 3.08Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 WeakPolarHBondContact CB-O 3.35Å
77T95.2Very high94.1Very high48 Ų4871.2 Ų71.229%0.29436%0.356SS..SBendtrans-89.15.8173.2510000113.2H46 W47 P49 Y60H46-T77 PolarHBondContact ND1-O 2.88Å; W47-T77 PolarHBondContact N-O 3.28Å; W47-T77 VanDerWaalsContact O-CB 3.29Å; W47-T77 WeakPolarHBondContact O-CB 3.33Å; P49-T77 HydrophobicContact CG-CG2 3.98Å; Y60-T77 HydrophobicContact CE2-CG2 3.95Å
78E96.3Very high94.2Very high96 Ų9670.9 Ų70.945%0.44935%0.354SS..EExtended strand (participates in β ladder)trans-136.6149.5173.861.9169.4-146.800111.1L44 L45 N76L44-E78 HydrophobicContact CD1-CB 4.29Å; L45-E78 CarbonylContact O-C 3.6Å; L45-E78 VanDerWaalsContact O-CA 3.23Å; L45-E78 WeakPolarHBondContact O-CA 3.31Å; N76-E78 VanDerWaalsContact C-N 3.27Å; N76-E78 WeakPolarHBondContact CB-O 3.35Å
79S96.3Very high94.4Very high19 Ų1963.6 Ų63.613%0.13332%0.32CS..EExtended strand (participates in β ladder)trans-146134.2176.6-164.50000111.2L45 Y72L45-S79 WeakPolarHBondContact CD1-O 3.3Å; L45-S79 PolarHBondContact N-O 2.91Å; L45-S79 PolarHBondContact O-N 3.45Å; Y72-S79 WeakPolarHBondContact CE2-OG 3.47Å; Y72-S79 WeakPolarHBondContact OH-CB 3.45Å; Y72-S79 PolarHBondContact OH-OG 2.69Å
80K94.4Very high94.6Very high166 Ų16657.7 Ų57.772%0.72230%0.296SS*.EExtended strand (participates in β ladder)trans-101.4126.7177.3-68.8176.8-175.8173.10109.1V43 L44V43-K80 WeakPolarHBondContact O-CA 3.25Å; L44-K80 HydrophobicContact CD1-CG 3.67Å
81C93.4Very high94.7Very high13 Ų1353.3 Ų53.39%0.08827%0.272CS..EExtended strand (participates in β ladder)trans-119.3143177.1-54.70000110.7Q42 V43 L45 I64 Y72Q42-C81 WeakPolarHBondContact CA-O 3.48Å; V43-C81 HydrophobicContact CG2-CB 3.72Å; V43-C81 PolarHBondContact N-O 3.49Å; V43-C81 PolarHBondContact O-N 3.39Å; L45-C81 HydrophobicContact CD1-CB 4.15Å; L45-C81 WeakPolarHBondContact CD1-SG 3.27Å; I64-C81 HydrophobicContact CD1-CB 4.36Å; Y72-C81 PolarHBondContact OH-SG 3.34Å; Y72-C81 VanDerWaalsContact OH-SG 3.34Å
82V93.9Very high94.8Very high70 Ų7049.2 Ų49.242%0.42425%0.254SS..EExtended strand (participates in β ladder)trans-107.3113.7173.4-179.70000107.5A41 Q42 L225A41-V82 CarbonylContact O-C 3.56Å; A41-V82 VanDerWaalsContact O-CA 3.27Å; A41-V82 WeakPolarHBondContact O-CA 3.45Å; Q42-V82 HydrophobicContact CG-CG2 4.32Å; V82-L225 HydrophobicContact CG1-CD1 3.91Å; V82-L225 HydrophobicContact CG1-CD2 3.72Å
83T94.3Very high94.9Very high13 Ų1346.4 Ų46.48%0.0824%0.243CC..  trans-158.8147.1-172.1-170.40000110.8A41 V43 P67 L85 F89A41-T83 CarbonylContact C-O 3.59Å; A41-T83 VanDerWaalsContact C-O 3.29Å; A41-T83 WeakPolarHBondContact CA-O 3.49Å; A41-T83 WeakPolarHBondContact CB-O 3.3Å; A41-T83 PolarHBondContact O-N 3.13Å; V43-T83 HydrophobicContact CG2-CG2 4.11Å; P67-T83 WeakPolarHBondContact CG-OG1 2.95Å; T83-L85 HydrophobicContact CG2-CD2 3.78Å; T83-F89 HydrophobicContact CG2-CD2 3.49Å; T83-F89 VanDerWaalsContact CG2-CD2 3.49Å; T83-F89 HydrophobicContact CG2-CE2 3.57Å; T83-F89 HydrophobicContact CG2-CG 4.46Å
84P94.3Very high95Very high32 Ų3246.1 Ų46.121%0.20824%0.237CC..  trans-60.6137.8174.5-2134000112.1D223 L225P84-D223 HydrophobicContact CB-CB 4.04Å; P84-L225 HydrophobicContact CG-CD1 4.32Å; P84-L225 HydrophobicContact CG-CG 4.36Å
85L94.4Very high95Very high20 Ų2045.2 Ų45.211%0.10523%0.231CC..  trans-117.39.5-175.2-56.6176.8000113.6A37 V43 T83 E87 F89 L113 P116 D223A37-L85 HydrophobicContact CB-CD1 4.17Å; V43-L85 HydrophobicContact CG1-CD1 3.83Å; V43-L85 HydrophobicContact CG1-CD2 3.44Å; V43-L85 VanDerWaalsContact CG1-CD2 3.44Å; V43-L85 HydrophobicContact CG1-CG 4.28Å; T83-L85 HydrophobicContact CG2-CD2 3.78Å; L85-E87 PolarHBondContact O-N 3.06Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; L85-L113 HydrophobicContact CD2-CD2 4.38Å; L85-P116 WeakPolarHBondContact O-CD 3.31Å; L85-P116 WeakPolarHBondContact O-CG 3.44Å; L85-D223 WeakPolarHBondContact CA-OD2 3.2Å; L85-D223 WeakPolarHBondContact CB-OD2 3.46Å; L85-D223 PolarHBondContact N-OD2 3.32Å
86H91.4Very high94.9Very high32 Ų3240.9 Ų40.915%0.14821%0.213CC..SBendtrans-74.8-7.2174.571.4-85000113.3K220 P221 D223H86-K220 WeakPolarHBondContact O-CE 3.43Å; H86-P221 WeakPolarHBondContact CB-O 3.18Å; H86-D223 HydrophobicContact CB-CB 4.24Å; H86-D223 PolarHBondContact CE1-O 2.73Å; H86-D223 PolarHBondContact N-OD2 3.07Å; H86-D223 PolarHBondContact ND1-N 2.89Å; H86-D223 PolarHBondContact ND1-O 3.38Å
87E90.9Very high94.6Very high93 Ų9337.6 Ų37.644%0.43520%0.195SC..SBendtrans-118.2-179.7171.2-57.1-163.2149.900110.3L85L85-E87 PolarHBondContact O-N 3.06Å
88C93.3Very high93.7Very high41 Ų4141 Ų4128%0.27721%0.206SC..  trans-65141.8173.5-170.60000109.8V66 L113V66-C88 VanDerWaalsContact CG1-O 3.25Å; V66-C88 WeakPolarHBondContact CG1-O 3.21Å; C88-L113 PolarHBondContact SG-O 3.29Å
89F96.4Very high92.4Very high1 Ų139.2 Ų39.20%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-116.8125.9168.6176.5-88.8000108.8I35 V43 L45 I64 V66 T83 L85 A91 E112 L113I35-F89 HydrophobicContact CD1-CD1 3.98Å; I35-F89 HydrophobicContact CD1-CE1 3.92Å; I35-F89 HydrophobicContact CG1-CE1 4.46Å; I35-F89 HydrophobicContact CG2-CD1 3.73Å; I35-F89 HydrophobicContact CG2-CE1 3.86Å; V43-F89 HydrophobicContact CG2-CD1 4.45Å; V43-F89 HydrophobicContact CG2-CE1 3.94Å; V43-F89 HydrophobicContact CG2-CE2 4.17Å; V43-F89 HydrophobicContact CG2-CZ 3.79Å; L45-F89 HydrophobicContact CD1-CE1 4.46Å; L45-F89 HydrophobicContact CD1-CZ 4.38Å; I64-F89 HydrophobicContact CD1-CE2 4.49Å; I64-F89 HydrophobicContact CG1-CZ 4.44Å; I64-F89 HydrophobicContact CG2-CD2 4.49Å; I64-F89 HydrophobicContact CG2-CE2 3.69Å; I64-F89 HydrophobicContact CG2-CZ 4.15Å; V66-F89 WeakPolarHBondContact O-CA 3.19Å; V66-F89 VanDerWaalsContact O-CD2 3.31Å; V66-F89 WeakPolarHBondContact O-CD2 3.37Å; T83-F89 HydrophobicContact CG2-CD2 3.49Å; T83-F89 VanDerWaalsContact CG2-CD2 3.49Å; T83-F89 HydrophobicContact CG2-CE2 3.57Å; T83-F89 HydrophobicContact CG2-CG 4.46Å; L85-F89 HydrophobicContact CD2-CB 4.27Å; F89-A91 HydrophobicContact CE1-CB 4.01Å; F89-A91 HydrophobicContact CZ-CB 4.25Å; F89-E112 CarbonylContact O-C 3.6Å; F89-E112 WeakPolarHBondContact O-CA 3.26Å; F89-L113 HydrophobicContact CB-CB 4.29Å; F89-L113 PolarHBondContact N-O 3.39Å; F89-L113 PolarHBondContact O-N 2.9Å
90A97.3Very high90.7Very high17 Ų1746.1 Ų46.114%0.1424%0.238CC..EExtended strand (participates in β ladder)trans-133.5136.6-179.300000109.8N65 V66 E112N65-A90 HydrophobicContact CB-CB 4.35Å; N65-A90 PolarHBondContact N-O 3.3Å; V66-A90 HydrophobicContact CB-CB 4.35Å; V66-A90 HydrophobicContact CG2-CB 4.42Å; V66-A90 PolarHBondContact N-O 2.95Å; V66-A90 PolarHBondContact O-N 3.19Å; A90-E112 HydrophobicContact CB-CB 4.26Å
91A97.8Very high89.3Confident0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-139.4161.1178.800000110.6F33 I35 L45 K63 F89 S110 A111F33-A91 WeakPolarHBondContact CE1-O 3.34Å; F33-A91 HydrophobicContact CZ-CB 4.07Å; I35-A91 HydrophobicContact CD1-CB 4.09Å; L45-A91 HydrophobicContact CD2-CB 3.79Å; K63-A91 CarbonylContact O-C 3.48Å; K63-A91 VanDerWaalsContact O-CA 3.24Å; K63-A91 WeakPolarHBondContact O-CA 3.27Å; F89-A91 HydrophobicContact CE1-CB 4.01Å; F89-A91 HydrophobicContact CZ-CB 4.25Å; A91-S110 WeakPolarHBondContact O-CA 3.42Å; A91-A111 PolarHBondContact N-O 2.85Å; A91-A111 VanDerWaalsContact N-O 3.09Å; A91-A111 PolarHBondContact O-N 3.44Å
92S98.1Very high87.9Confident9 Ų948.7 Ų48.76%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-134.9144.7177.6-54.50000109.6K63 N65 V109 S110K63-S92 PolarHBondContact N-O 3.25Å; K63-S92 PolarHBondContact O-N 3.03Å; N65-S92 PolarHBondContact ND2-OG 3.48Å; S92-V109 CarbonylContact C-O 3.54Å; S92-V109 WeakPolarHBondContact CA-O 3.35Å; S92-S110 WeakPolarHBondContact CB-OG 3.5Å; S92-S110 PolarHBondContact OG-OG 2.81Å
93V97.8Very high87Confident0 Ų050.7 Ų50.70%027%0.272CS..EExtended strand (participates in β ladder)trans-134.7145.1176.4620000110.1P30 F33 W47 Y60 H61 V62 V109P30-V93 HydrophobicContact CG-CG1 3.75Å; P30-V93 HydrophobicContact CG-CG2 4.25Å; F33-V93 HydrophobicContact CB-CG1 4.24Å; F33-V93 HydrophobicContact CD1-CG1 3.92Å; F33-V93 HydrophobicContact CD2-CG1 3.67Å; F33-V93 HydrophobicContact CE1-CG1 4.16Å; F33-V93 HydrophobicContact CE2-CG1 3.93Å; F33-V93 HydrophobicContact CG-CG1 3.67Å; F33-V93 HydrophobicContact CZ-CG1 4.17Å; W47-V93 HydrophobicContact CD2-CG1 4.38Å; W47-V93 HydrophobicContact CD2-CG2 4.04Å; W47-V93 HydrophobicContact CE3-CG1 4.46Å; W47-V93 HydrophobicContact CE3-CG2 4.33Å; W47-V93 HydrophobicContact CG-CG1 4.44Å; W47-V93 HydrophobicContact CH2-CG2 4.35Å; W47-V93 HydrophobicContact CZ2-CG2 4.04Å; W47-V93 HydrophobicContact CZ3-CG2 4.49Å; Y60-V93 HydrophobicContact CD1-CG2 4.5Å; H61-V93 WeakPolarHBondContact O-CA 3.36Å; V62-V93 HydrophobicContact CG2-CG2 4.03Å; V93-V109 PolarHBondContact N-O 3.32Å; V93-V109 PolarHBondContact O-N 3.44Å
94R95.8Very high86.6Confident65 Ų6553 Ų5325%0.24528%0.284CS..EExtended strand (participates in β ladder)trans-141.8155.4173.865.4176.4178.5-174.1-7.6110.9Y60 H61 I96 S106 S107 W108Y60-R94 WeakPolarHBondContact CA-O 3.46Å; H61-R94 HydrophobicContact CB-CG 4.02Å; H61-R94 PolarHBondContact N-O 3.4Å; H61-R94 PolarHBondContact O-N 3.32Å; R94-I96 HydrophobicContact CG-CG2 4.27Å; R94-S106 WeakPolarHBondContact CB-OG 3Å; R94-S107 WeakPolarHBondContact CB-O 3.27Å; R94-W108 HydrophobicContact CB-CD2 4.15Å; R94-W108 HydrophobicContact CB-CE3 3.92Å; R94-W108 HydrophobicContact CB-CZ3 4.42Å; R94-W108 HydrophobicContact CG-CD2 4.11Å; R94-W108 HydrophobicContact CG-CE3 3.85Å; R94-W108 HydrophobicContact CG-CH2 4.19Å; R94-W108 HydrophobicContact CG-CZ2 4.35Å; R94-W108 HydrophobicContact CG-CZ3 3.9Å
95T94.7Very high86.5Confident2 Ų253.9 Ų53.91%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-79.3135.9173-47.50000109.1L27 L28 P30 L58 Y60 A105 S106L27-T95 HydrophobicContact CD2-CG2 4.14Å; L28-T95 WeakPolarHBondContact O-CB 3.49Å; L28-T95 PolarHBondContact O-OG1 3.49Å; P30-T95 WeakPolarHBondContact CD-OG1 3.47Å; L58-T95 HydrophobicContact CB-CG2 4.09Å; L58-T95 HydrophobicContact CD1-CG2 4.15Å; L58-T95 HydrophobicContact CD2-CG2 3.86Å; L58-T95 HydrophobicContact CG-CG2 4.24Å; Y60-T95 HydrophobicContact CE1-CG2 4.48Å; T95-A105 WeakPolarHBondContact O-CA 3.49Å; T95-S106 PolarHBondContact N-OG 3.24Å; T95-S106 PolarHBondContact O-N 2.68Å
96I92.4Very high86.5Confident16 Ų1653.5 Ų53.58%0.08229%0.292CS..EExtended strand (participates in β ladder)trans-127.8147.8174.558.9161.7000110.3E59 H61 D73 R94 L104 A105E59-I96 HydrophobicContact CB-CD1 4.05Å; E59-I96 HydrophobicContact CB-CG1 3.67Å; E59-I96 PolarHBondContact N-O 3.05Å; E59-I96 VanDerWaalsContact N-O 3.11Å; E59-I96 WeakPolarHBondContact O-CG1 3.4Å; E59-I96 PolarHBondContact O-N 2.79Å; E59-I96 VanDerWaalsContact O-O 3.1Å; H61-I96 HydrophobicContact CB-CD1 4.11Å; H61-I96 HydrophobicContact CB-CG1 4.28Å; H61-I96 HydrophobicContact CB-CG2 3.71Å; D73-I96 HydrophobicContact CB-CD1 4.45Å; R94-I96 HydrophobicContact CG-CG2 4.27Å; I96-L104 WeakPolarHBondContact CA-O 3.24Å; I96-A105 HydrophobicContact CG2-CB 4.09Å
97L87.9Confident86.6Confident36 Ų3655.5 Ų55.519%0.18831%0.31CS..EExtended strand (participates in β ladder)trans-125.6114.7170.6-17468.7000108.6F25 L27 V56 S99 L104F25-L97 HydrophobicContact CD1-CD2 4.19Å; F25-L97 HydrophobicContact CE1-CD2 3.69Å; F25-L97 HydrophobicContact CZ-CD2 4.39Å; L27-L97 HydrophobicContact CD1-CB 3.74Å; L27-L97 HydrophobicContact CD2-CB 4.28Å; L27-L97 HydrophobicContact CG-CB 4.48Å; V56-L97 HydrophobicContact CG1-CD1 3.85Å; L97-S99 PolarHBondContact O-N 3.33Å; L97-S99 VanDerWaalsContact O-N 3.09Å; L97-L104 HydrophobicContact CB-CB 4.44Å; L97-L104 PolarHBondContact N-O 3.15Å; L97-L104 PolarHBondContact O-N 3.33Å
98K76.5Confident87Confident120 Ų12055.6 Ų55.652%0.52231%0.307SS..  trans-77.195.7179-72.1179.7175.81550109.5E59 D73E59-K98 VanDerWaalsContact OE2-CD 3.26Å; E59-K98 WeakPolarHBondContact OE2-CD 3.38Å; E59-K98 WeakPolarHBondContact OE2-CE 3.44Å; E59-K98 IonicContact OE2-NZ 3.15Å; E59-K98 PolarHBondContact OE2-NZ 2.98Å; D73-K98 WeakPolarHBondContact OD2-CE 3.31Å; D73-K98 IonicContact OD2-NZ 2.75Å; D73-K98 PolarHBondContact OD2-NZ 3.35Å
99S69.3Low87.2Confident58 Ų5855.5 Ų55.541%0.40631%0.305SS..  trans-105.9148.8172.2175.30000111.2L97 H101 S102L97-S99 PolarHBondContact O-N 3.33Å; L97-S99 VanDerWaalsContact O-N 3.09Å; S99-H101 PolarHBondContact O-N 2.96Å; S99-S102 WeakPolarHBondContact CB-O 3.27Å
100I59.5Low87.2Confident164 Ų16459.3 Ų59.384%0.84133%0.331SS*.SBendtrans-63.7-26.6-178.2-60.5170.9000111.7
101H66.1Low87.2Confident169 Ų16959.6 Ų59.678%0.78233%0.334SS*.SBendtrans-100.9-24.9-171.9-58.5-55.2000114S99S99-H101 PolarHBondContact O-N 2.96Å
102S64.3Low87.1Confident65 Ų6565.4 Ų65.446%0.45536%0.361SS..  trans-173.4136.9168.544.20000110.2S99 L104S99-S102 WeakPolarHBondContact CB-O 3.27Å; S102-L104 PolarHBondContact O-N 3.36Å
103P74.8Confident87Confident112 Ų11267.3 Ų67.373%0.72737%0.37SS*.  trans-68.7120.517227.4-31.1000109.3
104L86.7Confident86.8Confident62 Ų6275 Ų7533%0.32540%0.404SS..EExtended strand (participates in β ladder)trans-87140.9171.1-68.1169.9000108.5F25 L27 I96 L97 S102F25-L104 HydrophobicContact CB-CD1 4.38Å; F25-L104 HydrophobicContact CD1-CD1 3.87Å; L27-L104 VanDerWaalsContact CD1-C 3.43Å; L27-L104 HydrophobicContact CD1-CB 3.62Å; L27-L104 VanDerWaalsContact CD1-O 3.23Å; L27-L104 WeakPolarHBondContact CD1-O 3.32Å; L27-L104 HydrophobicContact CG-CB 4.25Å; I96-L104 WeakPolarHBondContact CA-O 3.24Å; L97-L104 HydrophobicContact CB-CB 4.44Å; L97-L104 PolarHBondContact N-O 3.15Å; L97-L104 PolarHBondContact O-N 3.33Å; S102-L104 PolarHBondContact O-N 3.36Å
105A90.9Very high86.6Confident49 Ų4974.2 Ų74.241%0.40541%0.411SS..EExtended strand (participates in β ladder)trans-140.5142.1178.300000110.9T95 I96T95-A105 WeakPolarHBondContact O-CA 3.49Å; I96-A105 HydrophobicContact CG2-CB 4.09Å
106S94Very high86.5Confident12 Ų1276.2 Ų76.28%0.08442%0.424CS..  trans-78178.1172.672.80000112L27 L28 P29 R94 T95L27-S106 WeakPolarHBondContact O-CA 3.29Å; L27-S106 WeakPolarHBondContact O-CB 3.48Å; L28-S106 VanDerWaalsContact C-CB 3.5Å; P29-S106 WeakPolarHBondContact CA-OG 3.4Å; R94-S106 WeakPolarHBondContact CB-OG 3Å; T95-S106 PolarHBondContact N-OG 3.24Å; T95-S106 PolarHBondContact O-N 2.68Å
107S95.2Very high86.5Confident75 Ų7580.5 Ų80.552%0.52445%0.453SS..  trans-63.5158.8162.356.50000111.7P29 R94P29-S107 WeakPolarHBondContact CG-OG 3.47Å; R94-S107 WeakPolarHBondContact CB-O 3.27Å
108W97.4Very high86.5Confident94 Ų9480.2 Ų80.236%0.35646%0.459SS..  trans-80.3143175.2-67.9100.9000111.6H61 K63 R94H61-W108 AromaticContact CD2-CH2 3.3Å; H61-W108 WeakPolarHBondContact CD2-CH2 3.29Å; H61-W108 AromaticContact CD2-CZ2 3.97Å; H61-W108 AromaticContact NE2-CH2 3.86Å; K63-W108 HydrophobicContact CB-CH2 3.65Å; K63-W108 HydrophobicContact CB-CZ3 3.76Å; K63-W108 HydrophobicContact CD-CH2 4.29Å; R94-W108 HydrophobicContact CB-CD2 4.15Å; R94-W108 HydrophobicContact CB-CE3 3.92Å; R94-W108 HydrophobicContact CB-CZ3 4.42Å; R94-W108 HydrophobicContact CG-CD2 4.11Å; R94-W108 HydrophobicContact CG-CE3 3.85Å; R94-W108 HydrophobicContact CG-CH2 4.19Å; R94-W108 HydrophobicContact CG-CZ2 4.35Å; R94-W108 HydrophobicContact CG-CZ3 3.9Å
109V97.8Very high87.1Confident40 Ų4077.7 Ų77.724%0.24246%0.456CS..EExtended strand (participates in β ladder)trans-115.5132.5165.1-176.90000107.5P29 P30 F33 S92 V93P29-V109 HydrophobicContact CB-CG2 3.63Å; P30-V109 WeakPolarHBondContact O-CG2 3.46Å; F33-V109 HydrophobicContact CB-CG1 3.77Å; F33-V109 HydrophobicContact CD1-CG1 4.27Å; F33-V109 HydrophobicContact CG-CG1 4.48Å; S92-V109 CarbonylContact C-O 3.54Å; S92-V109 WeakPolarHBondContact CA-O 3.35Å; V93-V109 PolarHBondContact N-O 3.32Å; V93-V109 PolarHBondContact O-N 3.44Å
110S97.6Very high88Confident80 Ų8080.1 Ų80.156%0.55947%0.473SS*.EExtended strand (participates in β ladder)trans-124.5148.5-174-540000111A91 S92A91-S110 WeakPolarHBondContact O-CA 3.42Å; S92-S110 WeakPolarHBondContact CB-OG 3.5Å; S92-S110 PolarHBondContact OG-OG 2.81Å
111A97Very high89.4Confident23 Ų2373.8 Ų73.819%0.1945%0.448CS..EExtended strand (participates in β ladder)trans-141.1157.317400000109F33 I35 A91F33-A111 HydrophobicContact CD1-CB 3.58Å; F33-A111 HydrophobicContact CE1-CB 3.64Å; F33-A111 HydrophobicContact CG-CB 4.36Å; F33-A111 HydrophobicContact CZ-CB 4.45Å; I35-A111 VanDerWaalsContact CD1-C 3.46Å; I35-A111 HydrophobicContact CD1-CB 3.73Å; I35-A111 WeakPolarHBondContact CD1-O 3.38Å; I35-A111 HydrophobicContact CG1-CB 3.92Å; A91-A111 PolarHBondContact N-O 2.85Å; A91-A111 VanDerWaalsContact N-O 3.09Å; A91-A111 PolarHBondContact O-N 3.44Å
112E96.4Very high90.8Very high122 Ų12265.9 Ų65.957%0.5741%0.412SS*.EExtended strand (participates in β ladder)trans-135.2144.7178.561172.9-154.100111.5F89 A90F89-E112 CarbonylContact O-C 3.6Å; F89-E112 WeakPolarHBondContact O-CA 3.26Å; A90-E112 HydrophobicContact CB-CB 4.26Å
113L95.2Very high92.2Very high50 Ų5063.7 Ų63.726%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-105.7113.8166.3-178.768.1000107.6I35 A37 V43 L85 C88 F89I35-L113 HydrophobicContact CG2-CB 4.11Å; A37-L113 HydrophobicContact CB-CD2 4.14Å; V43-L113 HydrophobicContact CG1-CD2 4.23Å; L85-L113 HydrophobicContact CD2-CD2 4.38Å; C88-L113 PolarHBondContact SG-O 3.29Å; F89-L113 HydrophobicContact CB-CB 4.29Å; F89-L113 PolarHBondContact N-O 3.39Å; F89-L113 PolarHBondContact O-N 2.9Å
114K93.9Very high93.3Very high162 Ų16258.8 Ų58.870%0.70436%0.364SS*.PPolyproline II helixtrans-64.2146.4-177.6-64.4-174.2178.7-177.20111.3
115A92.1Very high93.7Very high47 Ų4758.6 Ų58.639%0.38836%0.363SS..PPolyproline II helixtrans-58.7143.9174.600000111.2
116P92.3Very high94Very high45 Ų4562 Ų6229%0.29237%0.374SS..PPolyproline II helixtrans-58.8150.6174.5-23.933.8000112.3L85 P221L85-P116 WeakPolarHBondContact O-CD 3.31Å; L85-P116 WeakPolarHBondContact O-CG 3.44Å; P116-P221 HydrophobicContact CB-CG 3.57Å; P116-P221 HydrophobicContact CG-CG 3.8Å
117P91.3Very high94.1Very high106 Ų10662 Ų6269%0.68837%0.373SS*.PPolyproline II helixtrans-66.2144.7179.228.9-35000111.6
118G88.8Confident94.3Very high30 Ų3062.1 Ų62.131%0.30937%0.371SS..  trans158.3143.4172.200000112.4A218G118-A218 WeakPolarHBondContact CA-O 3.09Å
119S87.9Confident94.3Very high67 Ų6758 Ų5847%0.46936%0.356SS..BIsolated β-bridgetrans-70.2143.6-179.2-61.50000111.2G121 T122 A218S119-G121 PolarHBondContact O-N 3.16Å; S119-T122 WeakPolarHBondContact O-CB 3.42Å; S119-T122 PolarHBondContact O-N 2.69Å; S119-T122 PolarHBondContact O-OG1 2.84Å; S119-A218 PolarHBondContact N-O 3.21Å
120S88.3Confident94.2Very high108 Ų10858.9 Ų58.976%0.75536%0.362SS*.THydrogen-bonded Turntrans-52.9139170.4-630000110.5T122S120-T122 VanDerWaalsContact C-N 3.3Å; S120-T122 PolarHBondContact O-N 3.08Å
121G89.9Confident94.1Very high32 Ų3255.3 Ų55.333%0.3334%0.336SS..THydrogen-bonded Turntrans83.7-10.418000000116.1S119 G155 K156 D157S119-G121 PolarHBondContact O-N 3.16Å; G121-G155 CarbonylContact O-C 3.57Å; G121-G155 VanDerWaalsContact O-CA 3.24Å; G121-G155 WeakPolarHBondContact O-CA 2.98Å; G121-K156 PolarHBondContact O-N 2.87Å; G121-D157 WeakPolarHBondContact CA-OD2 3.47Å; G121-D157 PolarHBondContact O-N 2.86Å
122T94.2Very high94Very high2 Ų255.9 Ų55.91%0.01234%0.336CS..  trans-80.5-23.4174.562.70000113.5S119 S120 Y164 T219 K220S119-T122 WeakPolarHBondContact O-CB 3.42Å; S119-T122 PolarHBondContact O-N 2.69Å; S119-T122 PolarHBondContact O-OG1 2.84Å; S120-T122 VanDerWaalsContact C-N 3.3Å; S120-T122 PolarHBondContact O-N 3.08Å; T122-Y164 PolarHBondContact O-OH 2.96Å; T122-Y164 VanDerWaalsContact O-OH 3.13Å; T122-T219 WeakPolarHBondContact O-CG2 3.49Å; T122-K220 PolarHBondContact OG1-N 2.98Å
123S95.3Very high93.8Very high19 Ų1950.3 Ų50.313%0.13331%0.311CS..SBendtrans-64148.9179.1-1590000111.8G155 K220 P221S123-G155 WeakPolarHBondContact O-CA 3.29Å; S123-K220 VanDerWaalsContact CA-O 3.24Å; S123-K220 WeakPolarHBondContact CA-O 3.29Å; S123-K220 VanDerWaalsContact CB-O 3.26Å; S123-K220 WeakPolarHBondContact CB-O 3.37Å; S123-K220 PolarHBondContact OG-O 3.18Å; S123-P221 PolarHBondContact OG-O 3.49Å
124V96.5Very high93.6Very high9 Ų949.8 Ų49.86%0.05531%0.31CS..  trans-64152.5174.9-59.60000111W152 L153 Y164 I210 L222V124-W152 HydrophobicContact CB-CB 4.25Å; V124-W152 HydrophobicContact CB-CG 4.18Å; V124-W152 VanDerWaalsContact CG1-CD1 3.48Å; V124-W152 HydrophobicContact CG1-CG 4.23Å; V124-L153 WeakPolarHBondContact CA-O 3.47Å; V124-Y164 HydrophobicContact CG1-CD1 3.37Å; V124-Y164 HydrophobicContact CG1-CD2 4.31Å; V124-Y164 HydrophobicContact CG1-CE1 3.24Å; V124-Y164 HydrophobicContact CG1-CE2 4.21Å; V124-Y164 HydrophobicContact CG1-CG 3.91Å; V124-I210 HydrophobicContact CG1-CG2 3.87Å; V124-I210 HydrophobicContact CG2-CB 4.11Å; V124-I210 HydrophobicContact CG2-CD1 4.03Å; V124-I210 HydrophobicContact CG2-CG2 4.13Å; V124-L222 HydrophobicContact CG2-CB 3.7Å; V124-L222 HydrophobicContact CG2-CD2 3.52Å; V124-L222 HydrophobicContact CG2-CG 4.25Å
125M95.9Very high93.3Very high59 Ų5949.9 Ų49.929%0.29131%0.31SS..EExtended strand (participates in β ladder)trans-121.4157.1-179.3-60.1-175.7-67.500111L127 L153 V154 K156M125-L127 VanDerWaalsContact C-N 3.31Å; M125-L127 PolarHBondContact O-N 3.11Å; M125-L153 HydrophobicContact CB-CB 4.29Å; M125-L153 PolarHBondContact N-O 3.3Å; M125-L153 PolarHBondContact O-N 2.96Å; M125-V154 VanDerWaalsContact CE-O 3.27Å; M125-V154 WeakPolarHBondContact CE-O 3.36Å; M125-K156 HydrophobicContact CE-CD 4.36Å; M125-K156 HydrophobicContact CE-CG 3.46Å; M125-K156 VanDerWaalsContact CE-CG 3.46Å; M125-K156 HydrophobicContact SD-CD 4.2Å; M125-K156 HydrophobicContact SD-CG 3.77Å
126N96.4Very high92.7Very high121 Ų12148.2 Ų48.265%0.64730%0.296SS*.EExtended strand (participates in β ladder)trans51.646.6173.5-62.5-6.2000113.4T128 L153N126-T128 PolarHBondContact O-N 2.57Å; N126-L153 HydrophobicContact CB-CD1 4.21Å; N126-L153 HydrophobicContact CB-CG 4.33Å; N126-L153 WeakPolarHBondContact ND2-CD1 3.49Å
127L97.8Very high91.7Very high11 Ų1150.5 Ų50.56%0.05831%0.313CS..EExtended strand (participates in β ladder)trans-63.6119.4172.6176.458.9000109.5M125 C150 T151 W152 V208 I210 L222 Q224 F226M125-L127 VanDerWaalsContact C-N 3.31Å; M125-L127 PolarHBondContact O-N 3.11Å; L127-C150 HydrophobicContact CD1-CB 4.2Å; L127-T151 WeakPolarHBondContact CA-O 3.46Å; L127-W152 HydrophobicContact CD1-CB 4.34Å; L127-W152 HydrophobicContact CD1-CE3 4.29Å; L127-V208 HydrophobicContact CD2-CB 4.32Å; L127-V208 HydrophobicContact CD2-CG1 3.9Å; L127-I210 HydrophobicContact CD1-CD1 3.58Å; L127-I210 HydrophobicContact CD2-CD1 3.99Å; L127-I210 HydrophobicContact CG-CD1 4.31Å; L127-L222 HydrophobicContact CB-CD2 3.85Å; L127-L222 HydrophobicContact CD2-CD2 4.07Å; L127-Q224 HydrophobicContact CD2-CB 4.11Å; L127-F226 HydrophobicContact CD2-CE2 4.19Å; L127-F226 HydrophobicContact CD2-CZ 4.29Å; L127-F226 HydrophobicContact CG-CE2 4.44Å; L127-F226 HydrophobicContact CG-CZ 4.13Å
128T97.6Very high90.2Very high78 Ų7852 Ų5248%0.47931%0.31SS..EExtended strand (participates in β ladder)trans-126.6131.4174.3550000109.3N126 C150 T151N126-T128 PolarHBondContact O-N 2.57Å; T128-C150 CarbonylContact O-C 3.52Å; T128-C150 VanDerWaalsContact O-CA 3.25Å; T128-C150 WeakPolarHBondContact O-CA 3.29Å; T128-T151 PolarHBondContact N-O 3.46Å; T128-T151 PolarHBondContact O-N 3.11Å; T128-T151 PolarHBondContact OG1-OG1 2.99Å
129C97.6Very high88.8Confident7 Ų754 Ų545%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-123.1146.4176.5-66.70000111L148 R149 C150 F226 I231C129-L148 HydrophobicContact CB-CD1 4.06Å; C129-R149 CarbonylContact C-O 3.59Å; C129-R149 WeakPolarHBondContact CA-O 3.4Å; C129-C150 HydrophobicContact CB-CB 4.22Å; C129-C150 WeakPolarHBondContact CB-SG 3.41Å; C129-C150 WeakPolarHBondContact SG-CB 2.91Å; C129-C150 CovalentContact SG-SG 2.05Å; C129-C150 PolarHBondContact SG-SG 2.97Å; C129-F226 HydrophobicContact CB-CE1 4.48Å; C129-F226 HydrophobicContact CB-CE2 4.29Å; C129-F226 HydrophobicContact CB-CZ 4.25Å; C129-I231 WeakPolarHBondContact O-CB 3.29Å; C129-I231 VanDerWaalsContact O-CG2 3.31Å; C129-I231 WeakPolarHBondContact O-CG2 3.48Å
130T96.1Very high87.5Confident58 Ų5859.8 Ų59.836%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-134139.2174.158.20000110.2L148 R149 I231T130-L148 WeakPolarHBondContact O-CA 3.29Å; T130-R149 PolarHBondContact N-O 3.1Å; T130-R149 PolarHBondContact O-N 2.9Å; T130-I231 CarbonylContact C-O 3.29Å; T130-I231 WeakPolarHBondContact CA-O 3.34Å
131T95.7Very high86.2Confident5 Ų564.2 Ų64.23%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-108.7143.5172.458.70000110.4V146 S147 L148 I198 I231 D232 Q233T131-V146 HydrophobicContact CG2-CG1 4.11Å; T131-S147 VanDerWaalsContact CA-O 3.23Å; T131-S147 WeakPolarHBondContact CA-O 3.39Å; T131-L148 HydrophobicContact CG2-CD1 3.79Å; T131-I198 HydrophobicContact CG2-CD1 4.3Å; T131-I231 HydrophobicContact CG2-CD1 3.81Å; T131-I231 HydrophobicContact CG2-CG1 4.27Å; T131-I231 PolarHBondContact N-O 3.25Å; T131-D232 VanDerWaalsContact OG1-CA 3.3Å; T131-D232 WeakPolarHBondContact OG1-CA 3.32Å; T131-Q233 PolarHBondContact O-N 3.4Å
132N94.2Very high85.2Confident35 Ų3571.4 Ų71.419%0.18736%0.359CS..EExtended strand (participates in β ladder)trans-135.3139.3173.5-176.2-91.4000110.6S147 Q233 N235N132-S147 PolarHBondContact N-O 2.78Å; N132-S147 PolarHBondContact O-N 3.08Å; N132-S147 PolarHBondContact O-OG 2.9Å; N132-Q233 PolarHBondContact ND2-O 2.76Å; N132-N235 PolarHBondContact ND2-OD1 3.24Å; N132-N235 PolarHBondContact OD1-OD1 2.84Å
133T93.5Very high84.5Confident5 Ų574.3 Ų74.33%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-82.4123.7176.8-59.10000110.5Y144 Q145 N235T133-Y144 HydrophobicContact CG2-CD1 3.91Å; T133-Y144 HydrophobicContact CG2-CG 4.17Å; T133-Q145 CarbonylContact C-O 3.57Å; T133-Q145 WeakPolarHBondContact CA-O 3.43Å; T133-N235 PolarHBondContact O-ND2 3.18Å
134V91Very high84.1Confident40 Ų4077.4 Ų77.424%0.24239%0.387CS..EExtended strand (participates in β ladder)trans-114.3159.8177.3-59.90000111Y144 Q145V134-Y144 WeakPolarHBondContact O-CA 3.24Å; V134-Q145 HydrophobicContact CG2-CB 3.87Å; V134-Q145 PolarHBondContact N-O 2.95Å; V134-Q145 PolarHBondContact O-N 2.84Å
135K86.2Confident83.9Confident164 Ų16479.2 Ų79.271%0.71340%0.395SS*.EExtended strand (participates in β ladder)trans-76.5130.6177.3-170.8179179.7-176.40108.6L257K135-L257 HydrophobicContact CB-CD1 4.33Å; K135-L257 HydrophobicContact CB-CD2 4.28Å
136S81.4Confident83.8Confident12 Ų1276.7 Ų76.78%0.08438%0.383CS..  trans-73.5129.6173.7-174.30000110.2R142 P143S136-R142 WeakPolarHBondContact CB-O 3.09Å; S136-R142 PolarHBondContact OG-O 2.79Å; S136-R142 VanDerWaalsContact OG-O 3.09Å; S136-P143 PolarHBondContact N-O 3.32Å
137S69.8Low83.7Confident93 Ų9371 Ų7165%0.6535%0.353SS*.SBendtrans-86.6-16.9178.549.40000114
138H61.1Low83.7Confident138 Ų13870.5 Ų70.564%0.63935%0.35SS*.SBendtrans-115.5-11.8-162.5-68.9-72.3000116.3
139T58.6Low83.7Confident70 Ų7073.3 Ų73.343%0.42935%0.352SS..  trans-147.3126.9-174.158.50000113.8F141 R142T139-F141 PolarHBondContact O-N 2.97Å; T139-R142 CarbonylContact O-C 3.52Å; T139-R142 PolarHBondContact OG1-O 2.78Å
140H60.8Low83.8Confident189 Ų18973 Ų7388%0.87535%0.35SS*.THydrogen-bonded Turntrans-61.9-26.4171.4-75.9-82.2000113.4
141F61.5Low83.9Confident201 Ų20173.5 Ų73.588%0.88235%0.353SS*.THydrogen-bonded Turntrans-82.6-23.7-175.5-63.8-76.1000114.8T139T139-F141 PolarHBondContact O-N 2.97Å
142R69Low84Confident183 Ų18373.7 Ų73.769%0.69135%0.353SS*.  trans-126.185.3171.8-71.4-169.7-176.6-168.22.9108.7S136 T139 Y144S136-R142 WeakPolarHBondContact CB-O 3.09Å; S136-R142 PolarHBondContact OG-O 2.79Å; S136-R142 VanDerWaalsContact OG-O 3.09Å; T139-R142 CarbonylContact O-C 3.52Å; T139-R142 PolarHBondContact OG1-O 2.78Å; R142-Y144 PolarHBondContact O-N 2.92Å
143P78.8Confident84.1Confident64 Ų6476.5 Ų76.542%0.41637%0.367SS..  trans-71.3-14.5-174.725.8-32.5000113.4S136S136-P143 PolarHBondContact N-O 3.32Å
144Y87.7Confident84.3Confident83 Ų8377.2 Ų77.233%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-122.1140.5-177.8-53.6-71000110.5T133 V134 R142 L257 S258 A259T133-Y144 HydrophobicContact CG2-CD1 3.91Å; T133-Y144 HydrophobicContact CG2-CG 4.17Å; V134-Y144 WeakPolarHBondContact O-CA 3.24Å; R142-Y144 PolarHBondContact O-N 2.92Å; Y144-L257 HydrophobicContact CD1-CD1 4.24Å; Y144-L257 HydrophobicContact CD1-CG 4.5Å; Y144-L257 HydrophobicContact CE1-CD1 3.85Å; Y144-L257 HydrophobicContact CE1-CG 4.42Å; Y144-S258 WeakPolarHBondContact CE1-O 3.27Å; Y144-S258 PolarHBondContact OH-O 2Å; Y144-A259 HydrophobicContact CD2-CB 3.74Å; Y144-A259 HydrophobicContact CE2-CB 4.34Å; Y144-A259 HydrophobicContact CG-CB 4.24Å
145Q90.4Very high84.4Confident48 Ų4875.6 Ų75.622%0.22436%0.363CS..EExtended strand (participates in β ladder)trans-123.4156.2168.4-75.4177.5-14.200108.8T133 V134 R195T133-Q145 CarbonylContact C-O 3.57Å; T133-Q145 WeakPolarHBondContact CA-O 3.43Å; V134-Q145 HydrophobicContact CG2-CB 3.87Å; V134-Q145 PolarHBondContact N-O 2.95Å; V134-Q145 PolarHBondContact O-N 2.84Å; Q145-R195 VanDerWaalsContact OE1-CG 3.27Å
146V93.9Very high84.8Confident6 Ų675.8 Ų75.84%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-107.5134175.2178.80000108.1T131 T196 I198T131-V146 HydrophobicContact CG2-CG1 4.11Å; V146-T196 WeakPolarHBondContact O-CB 3.25Å; V146-T196 PolarHBondContact O-N 3.13Å; V146-T196 PolarHBondContact O-OG1 3.23Å; V146-I198 HydrophobicContact CB-CB 4.09Å; V146-I198 HydrophobicContact CB-CG2 4.41Å; V146-I198 HydrophobicContact CG1-CB 4.03Å; V146-I198 HydrophobicContact CG1-CD1 4.47Å; V146-I198 HydrophobicContact CG1-CG2 4.06Å; V146-I198 WeakPolarHBondContact CG2-O 3.22Å
147S95.6Very high85.4Confident2 Ų280.5 Ų80.51%0.01439%0.389CS..EExtended strand (participates in β ladder)trans-105.5151.1170.7670000109.6T131 N132 W192 F193T131-S147 VanDerWaalsContact CA-O 3.23Å; T131-S147 WeakPolarHBondContact CA-O 3.39Å; N132-S147 PolarHBondContact N-O 2.78Å; N132-S147 PolarHBondContact O-N 3.08Å; N132-S147 PolarHBondContact O-OG 2.9Å; S147-W192 WeakPolarHBondContact OG-CH2 3.43Å; S147-W192 WeakPolarHBondContact OG-CZ3 3.35Å; S147-F193 VanDerWaalsContact CA-O 3.26Å; S147-F193 WeakPolarHBondContact CA-O 3.36Å; S147-F193 WeakPolarHBondContact CB-O 3.18Å
148L97.6Very high86.5Confident0 Ų076.7 Ų76.70%036%0.363CS..EExtended strand (participates in β ladder)trans-130.4122.7-177.1172.767.5000109.7C129 T130 T131 Y168 W192 F193 T196 I198 L206C129-L148 HydrophobicContact CB-CD1 4.06Å; T130-L148 WeakPolarHBondContact O-CA 3.29Å; T131-L148 HydrophobicContact CG2-CD1 3.79Å; L148-Y168 HydrophobicContact CD2-CD1 4.18Å; L148-Y168 HydrophobicContact CD2-CG 4.05Å; L148-W192 VanDerWaalsContact O-CE3 3.29Å; L148-F193 HydrophobicContact CB-CB 4.19Å; L148-F193 HydrophobicContact CB-CD2 4.11Å; L148-F193 HydrophobicContact CD2-CD2 3.86Å; L148-F193 HydrophobicContact CD2-CE2 4.11Å; L148-F193 HydrophobicContact CG-CD2 4.13Å; L148-F193 PolarHBondContact N-O 2.78Å; L148-F193 PolarHBondContact O-N 3.02Å; L148-T196 HydrophobicContact CB-CG2 3.9Å; L148-I198 HydrophobicContact CB-CD1 4.3Å; L148-I198 HydrophobicContact CD2-CD1 4.26Å; L148-L206 HydrophobicContact CD1-CD2 3.78Å; L148-L206 HydrophobicContact CD2-CD2 4.05Å
149R97.8Very high88.1Confident137 Ų13771.4 Ų71.452%0.51734%0.34SS..EExtended strand (participates in β ladder)trans-109135.8169.3-68.9-179.4177.9-142.1-6.5108.8C129 T130 C191 W192C129-R149 CarbonylContact C-O 3.59Å; C129-R149 WeakPolarHBondContact CA-O 3.4Å; T130-R149 PolarHBondContact N-O 3.1Å; T130-R149 PolarHBondContact O-N 2.9Å; R149-C191 WeakPolarHBondContact CA-O 3.32Å; R149-W192 HydrophobicContact CB-CE3 4.28Å; R149-W192 HydrophobicContact CG-CD2 4.11Å; R149-W192 HydrophobicContact CG-CE3 3.09Å; R149-W192 HydrophobicContact CG-CH2 4.39Å; R149-W192 HydrophobicContact CG-CZ3 3.28Å; R149-W192 VanDerWaalsContact NE-CE3 3.33Å
150C98.5Very high89.8Confident1 Ų175.3 Ų75.31%0.00735%0.354CS..EExtended strand (participates in β ladder)trans-132.6144.3169.6-64.10000109.8L127 T128 C129 L166 A190 C191L127-C150 HydrophobicContact CD1-CB 4.2Å; T128-C150 CarbonylContact O-C 3.52Å; T128-C150 VanDerWaalsContact O-CA 3.25Å; T128-C150 WeakPolarHBondContact O-CA 3.29Å; C129-C150 HydrophobicContact CB-CB 4.22Å; C129-C150 WeakPolarHBondContact CB-SG 3.41Å; C129-C150 WeakPolarHBondContact SG-CB 2.91Å; C129-C150 CovalentContact SG-SG 2.05Å; C129-C150 PolarHBondContact SG-SG 2.97Å; C150-L166 HydrophobicContact CB-CD1 3.62Å; C150-A190 CarbonylContact O-C 3.59Å; C150-A190 WeakPolarHBondContact O-CA 3.35Å; C150-A190 WeakPolarHBondContact O-CB 2.94Å; C150-C191 PolarHBondContact N-O 3.24Å; C150-C191 PolarHBondContact O-N 3.27Å
151T98.3Very high91.4Very high68 Ų6869.1 Ų69.142%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-134.9147.1176.755.10000109.1L127 T128 I189 A190L127-T151 WeakPolarHBondContact CA-O 3.46Å; T128-T151 PolarHBondContact N-O 3.46Å; T128-T151 PolarHBondContact O-N 3.11Å; T128-T151 PolarHBondContact OG1-OG1 2.99Å; T151-I189 WeakPolarHBondContact CA-O 3.48Å; T151-A190 HydrophobicContact CG2-CB 3.76Å
152W98.1Very high93Very high8 Ų859.6 Ų59.63%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-148.3164.7177.159.491.9000110.8V124 L127 Y164 L166 Y180 N188 I189 C191 I210V124-W152 HydrophobicContact CB-CB 4.25Å; V124-W152 HydrophobicContact CB-CG 4.18Å; V124-W152 VanDerWaalsContact CG1-CD1 3.48Å; V124-W152 HydrophobicContact CG1-CG 4.23Å; L127-W152 HydrophobicContact CD1-CB 4.34Å; L127-W152 HydrophobicContact CD1-CE3 4.29Å; W152-Y164 AromaticContact NE1-CD2 3.89Å; W152-Y164 AromaticContact NE1-CG 3.94Å; W152-L166 HydrophobicContact CE3-CD1 4.1Å; W152-L166 HydrophobicContact CH2-CB 4.18Å; W152-L166 HydrophobicContact CH2-CD1 4.13Å; W152-L166 HydrophobicContact CZ3-CB 4.37Å; W152-L166 HydrophobicContact CZ3-CD1 3.48Å; W152-L166 VanDerWaalsContact CZ3-CD1 3.48Å; W152-Y180 HydrophobicContact CH2-CD1 4.09Å; W152-Y180 HydrophobicContact CH2-CE1 4.05Å; W152-N188 VanDerWaalsContact CE2-O 3.32Å; W152-N188 HydrophobicContact CZ2-CB 4.04Å; W152-N188 VanDerWaalsContact CZ2-O 3.28Å; W152-N188 WeakPolarHBondContact CZ2-O 3.4Å; W152-N188 PolarHBondContact NE1-O 3.31Å; W152-I189 PolarHBondContact N-O 3.09Å; W152-C191 HydrophobicContact CH2-CB 4.06Å; W152-C191 HydrophobicContact CZ3-CB 3.97Å; W152-I210 HydrophobicContact CB-CD1 4.48Å; W152-I210 HydrophobicContact CD2-CD1 3.78Å; W152-I210 HydrophobicContact CE3-CD1 3.71Å; W152-I210 HydrophobicContact CG-CD1 4.13Å; W152-I210 HydrophobicContact CZ3-CD1 4.25Å
153L97.3Very high94.3Very high94 Ų9452.9 Ų52.949%0.49226%0.262SS..EExtended strand (participates in β ladder)trans-99.4145.7169.4-60.7179.2000109.7V124 M125 N126V124-L153 WeakPolarHBondContact CA-O 3.47Å; M125-L153 HydrophobicContact CB-CB 4.29Å; M125-L153 PolarHBondContact N-O 3.3Å; M125-L153 PolarHBondContact O-N 2.96Å; N126-L153 HydrophobicContact CB-CD1 4.21Å; N126-L153 HydrophobicContact CB-CG 4.33Å; N126-L153 WeakPolarHBondContact ND2-CD1 3.49Å
154V96.1Very high95.2Very high21 Ų2149.9 Ų49.913%0.12724%0.242CC..PPolyproline II helixtrans-65.9144.6174.9179.50000109.8M125 A158 Y164 R187 I189M125-V154 VanDerWaalsContact CE-O 3.27Å; M125-V154 WeakPolarHBondContact CE-O 3.36Å; V154-A158 HydrophobicContact CG1-CB 3.85Å; V154-Y164 HydrophobicContact CB-CE2 4.16Å; V154-Y164 HydrophobicContact CG1-CE2 3.74Å; V154-Y164 HydrophobicContact CG2-CE2 3.93Å; V154-R187 VanDerWaalsContact CG1-NH1 3.31Å; V154-I189 HydrophobicContact CG2-CG2 3.84Å
155G94.2Very high95.7Very high6 Ų648.8 Ų48.86%0.06224%0.239CC..PPolyproline II helixtrans-57.8143.5176.800000112G121 S123 D157 A158 Y164G121-G155 CarbonylContact O-C 3.57Å; G121-G155 VanDerWaalsContact O-CA 3.24Å; G121-G155 WeakPolarHBondContact O-CA 2.98Å; S123-G155 WeakPolarHBondContact O-CA 3.29Å; G155-D157 VanDerWaalsContact C-N 3.25Å; G155-D157 PolarHBondContact O-N 2.83Å; G155-A158 WeakPolarHBondContact O-CB 3.42Å; G155-A158 PolarHBondContact O-N 2.93Å; G155-Y164 PolarHBondContact N-OH 2.87Å
156K94.1Very high96.1Very high167 Ų16746.5 Ų46.573%0.72623%0.229SC*.THydrogen-bonded Turntrans-59.9-38.4-177-63.5-177.5-178.61750112.5G121 M125G121-K156 PolarHBondContact O-N 2.87Å; M125-K156 HydrophobicContact CE-CD 4.36Å; M125-K156 HydrophobicContact CE-CG 3.46Å; M125-K156 VanDerWaalsContact CE-CG 3.46Å; M125-K156 HydrophobicContact SD-CD 4.2Å; M125-K156 HydrophobicContact SD-CG 3.77Å
157D94.1Very high96.3Very high112 Ų11248.7 Ų48.760%0.59924%0.237SC*.THydrogen-bonded Turntrans-107.714.9-176.9-53.6-46.6000111G121 G155 P159G121-D157 WeakPolarHBondContact CA-OD2 3.47Å; G121-D157 PolarHBondContact O-N 2.86Å; G155-D157 VanDerWaalsContact C-N 3.25Å; G155-D157 PolarHBondContact O-N 2.83Å; D157-P159 WeakPolarHBondContact O-CD 3.16Å
158A93.8Very high96.4Very high13 Ų1348.6 Ų48.611%0.10724%0.236CC..  trans-71.5128.5176.100000109.7V154 G155 Y164V154-A158 HydrophobicContact CG1-CB 3.85Å; G155-A158 WeakPolarHBondContact O-CB 3.42Å; G155-A158 PolarHBondContact O-N 2.93Å; A158-Y164 VanDerWaalsContact CB-OH 3.25Å; A158-Y164 WeakPolarHBondContact CB-OH 3.39Å
159P94.3Very high96.4Very high26 Ų2649 Ų4917%0.16924%0.238CC..  trans-51.4152.4172.1-29.635.7000113.2D157 D161 T162 S214 H216 A217D157-P159 WeakPolarHBondContact O-CD 3.16Å; P159-D161 WeakPolarHBondContact CB-OD1 3.34Å; P159-D161 PolarHBondContact O-N 2.82Å; P159-T162 WeakPolarHBondContact CD-OG1 3.46Å; P159-T162 VanDerWaalsContact O-CB 3.3Å; P159-T162 WeakPolarHBondContact O-CB 3.3Å; P159-T162 PolarHBondContact O-N 3.06Å; P159-T162 VanDerWaalsContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; P159-T162 VanDerWaalsContact O-OG1 3.06Å; P159-S214 WeakPolarHBondContact CB-OG 3.42Å; P159-H216 HydrophobicContact CB-CB 4.38Å; P159-H216 HydrophobicContact CG-CB 4.2Å; P159-A217 HydrophobicContact CG-CB 4.07Å
160E93.3Very high96.2Very high153 Ų15342.8 Ų42.872%0.71521%0.214SC*.THydrogen-bonded Turntrans-62.9-27.6179.3-65.9-173.4169.400112.7T162 L185E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.82Å; E160-L185 HydrophobicContact CG-CD1 4.46Å
161D94.4Very high95.9Very high59 Ų5944.6 Ų44.632%0.31623%0.227SC..THydrogen-bonded Turntrans-85.12.4178.276.2-46.2000114P159 Q163 S214 K215 H216P159-D161 WeakPolarHBondContact CB-OD1 3.34Å; P159-D161 PolarHBondContact O-N 2.82Å; D161-Q163 PolarHBondContact O-N 2.97Å; D161-S214 VanDerWaalsContact CG-OG 3.32Å; D161-S214 PolarHBondContact OD1-OG 3.34Å; D161-S214 PolarHBondContact OD2-OG 3.05Å; D161-K215 WeakPolarHBondContact OD2-CB 3.1Å; D161-K215 PolarHBondContact OD2-N 2.84Å; D161-H216 VanDerWaalsContact CG-ND1 3.27Å; D161-H216 IonicContact OD1-CE1 2.81Å; D161-H216 IonicContact OD1-CG 3.67Å; D161-H216 IonicContact OD1-ND1 2.69Å; D161-H216 PolarHBondContact OD1-ND1 2.96Å; D161-H216 IonicContact OD2-CE1 3.82Å; D161-H216 IonicContact OD2-ND1 3.73Å; D161-H216 PolarHBondContact OD2-ND1 2.89Å
162T95.7Very high95.5Very high1 Ų147 Ų471%0.00624%0.241CC..  trans-65.9123.3179.5-62.30000111.1P159 E160 Y164 R187 S213 S214 T219P159-T162 WeakPolarHBondContact CD-OG1 3.46Å; P159-T162 VanDerWaalsContact O-CB 3.3Å; P159-T162 WeakPolarHBondContact O-CB 3.3Å; P159-T162 PolarHBondContact O-N 3.06Å; P159-T162 VanDerWaalsContact O-N 3.09Å; P159-T162 PolarHBondContact O-OG1 3.39Å; P159-T162 VanDerWaalsContact O-OG1 3.06Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 2.82Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.44Å; T162-Y164 HydrophobicContact CG2-CE1 3.74Å; T162-Y164 HydrophobicContact CG2-CE2 3.9Å; T162-R187 WeakPolarHBondContact O-CD 3.35Å; T162-R187 VanDerWaalsContact O-CG 3.3Å; T162-R187 WeakPolarHBondContact O-CG 3.49Å; T162-S213 WeakPolarHBondContact CA-O 3.38Å; T162-S214 WeakPolarHBondContact OG1-CB 3.44Å; T162-T219 HydrophobicContact CG2-CG2 4.22Å
163Q97.1Very high95.3Very high42 Ų4252.9 Ų52.920%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-106.8139169.4-171.357.6-88.100110.7D161 F165 N186 N188 G212 S213D161-Q163 PolarHBondContact O-N 2.97Å; Q163-F165 HydrophobicContact CB-CE2 4.17Å; Q163-F165 HydrophobicContact CB-CZ 4.08Å; Q163-F165 HydrophobicContact CG-CE1 4.04Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.55Å; Q163-N186 PolarHBondContact NE2-O 2.97Å; Q163-N186 VanDerWaalsContact NE2-O 3.07Å; Q163-N188 VanDerWaalsContact OE1-CB 3.25Å; Q163-N188 PolarHBondContact OE1-ND2 2.88Å; Q163-G212 CarbonylContact O-C 3.49Å; Q163-G212 WeakPolarHBondContact O-CA 3.15Å; Q163-S213 PolarHBondContact N-O 2.83Å; Q163-S213 PolarHBondContact O-N 2.88Å
164Y97.6Very high95.3Very high1 Ų152 Ų520%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-109.2142.6-178.1-64.5-72.1000112T122 V124 W152 V154 G155 A158 T162 N188 I210 N211 T219T122-Y164 PolarHBondContact O-OH 2.96Å; T122-Y164 VanDerWaalsContact O-OH 3.13Å; V124-Y164 HydrophobicContact CG1-CD1 3.37Å; V124-Y164 HydrophobicContact CG1-CD2 4.31Å; V124-Y164 HydrophobicContact CG1-CE1 3.24Å; V124-Y164 HydrophobicContact CG1-CE2 4.21Å; V124-Y164 HydrophobicContact CG1-CG 3.91Å; W152-Y164 AromaticContact NE1-CD2 3.89Å; W152-Y164 AromaticContact NE1-CG 3.94Å; V154-Y164 HydrophobicContact CB-CE2 4.16Å; V154-Y164 HydrophobicContact CG1-CE2 3.74Å; V154-Y164 HydrophobicContact CG2-CE2 3.93Å; G155-Y164 PolarHBondContact N-OH 2.87Å; A158-Y164 VanDerWaalsContact CB-OH 3.25Å; A158-Y164 WeakPolarHBondContact CB-OH 3.39Å; T162-Y164 HydrophobicContact CG2-CD1 4.28Å; T162-Y164 HydrophobicContact CG2-CD2 4.44Å; T162-Y164 HydrophobicContact CG2-CE1 3.74Å; T162-Y164 HydrophobicContact CG2-CE2 3.9Å; Y164-N188 WeakPolarHBondContact O-CB 3.46Å; Y164-N188 PolarHBondContact O-ND2 2.99Å; Y164-I210 HydrophobicContact CD1-CG2 4.16Å; Y164-N211 WeakPolarHBondContact CA-O 3.3Å; Y164-T219 HydrophobicContact CE1-CG2 3.82Å
165F97.9Very high95.4Very high60 Ų6053.9 Ų53.926%0.26327%0.269SS..EExtended strand (participates in β ladder)trans-130.1131.2177.2-48-92000109.8Q163 Y167 Y180 I210 N211Q163-F165 HydrophobicContact CB-CE2 4.17Å; Q163-F165 HydrophobicContact CB-CZ 4.08Å; Q163-F165 HydrophobicContact CG-CE1 4.04Å; Q163-F165 HydrophobicContact CG-CE2 4Å; Q163-F165 HydrophobicContact CG-CZ 3.55Å; F165-Y167 HydrophobicContact CB-CE2 3.89Å; F165-Y180 WeakPolarHBondContact CA-OH 3.19Å; F165-I210 WeakPolarHBondContact O-CA 3.25Å; F165-N211 WeakPolarHBondContact CB-OD1 3.48Å; F165-N211 PolarHBondContact N-O 2.91Å; F165-N211 PolarHBondContact O-N 2.88Å; F165-N211 PolarHBondContact O-OD1 2.79Å
166L98.5Very high95.6Very high0 Ų057.2 Ų57.20%028%0.283CS..EExtended strand (participates in β ladder)trans-108.2132.4-176.1-175.4156000110.4C150 W152 C177 Y180 C191 F193 V208 H209 I210C150-L166 HydrophobicContact CB-CD1 3.62Å; W152-L166 HydrophobicContact CE3-CD1 4.1Å; W152-L166 HydrophobicContact CH2-CB 4.18Å; W152-L166 HydrophobicContact CH2-CD1 4.13Å; W152-L166 HydrophobicContact CZ3-CB 4.37Å; W152-L166 HydrophobicContact CZ3-CD1 3.48Å; W152-L166 VanDerWaalsContact CZ3-CD1 3.48Å; L166-C177 HydrophobicContact CB-CB 4.32Å; L166-C177 HydrophobicContact CD2-CB 4.38Å; L166-C177 WeakPolarHBondContact O-CB 3.22Å; L166-C177 PolarHBondContact O-N 2.89Å; L166-Y180 HydrophobicContact CB-CE1 4.29Å; L166-Y180 PolarHBondContact N-OH 2.88Å; L166-C191 HydrophobicContact CB-CB 4.41Å; L166-C191 HydrophobicContact CD1-CB 4.09Å; L166-F193 HydrophobicContact CD2-CE2 3.55Å; L166-F193 HydrophobicContact CD2-CZ 3.88Å; L166-V208 HydrophobicContact CD1-CG1 3.91Å; L166-V208 HydrophobicContact CD2-CG1 4.22Å; L166-V208 HydrophobicContact CG-CG1 3.96Å; L166-H209 WeakPolarHBondContact CA-O 3.28Å; L166-I210 HydrophobicContact CB-CG1 4.11Å; L166-I210 HydrophobicContact CD1-CD1 3.89Å; L166-I210 HydrophobicContact CD1-CG1 3.94Å; L166-I210 HydrophobicContact CG-CD1 4.43Å; L166-I210 HydrophobicContact CG-CG1 3.92Å
167Y98.3Very high95.7Very high52 Ų5249.3 Ų49.320%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-122.8144.7172.8-53.2-99.5000109.3F165 E175 E176 V208 H209F165-Y167 HydrophobicContact CB-CE2 3.89Å; Y167-E175 VanDerWaalsContact CA-O 3.29Å; Y167-E175 WeakPolarHBondContact CA-O 3.46Å; Y167-E176 HydrophobicContact CD1-CB 3.6Å; Y167-E176 HydrophobicContact CD1-CG 3.84Å; Y167-E176 HydrophobicContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CD 3.5Å; Y167-E176 HydrophobicContact CE1-CG 3.4Å; Y167-E176 VanDerWaalsContact CE1-CG 3.4Å; Y167-E176 WeakPolarHBondContact CE1-OE2 3.24Å; Y167-E176 PolarHBondContact OH-OE2 3.22Å; Y167-V208 WeakPolarHBondContact O-CA 3.26Å; Y167-H209 AromaticContact CD2-CD2 3.81Å; Y167-H209 PolarHBondContact N-O 2.86Å; Y167-H209 PolarHBondContact O-N 2.94Å
168Y97.9Very high95.9Very high0 Ų051 Ų510%025%0.253CS..EExtended strand (participates in β ladder)trans-122.415116886.2-91.6000110.5L148 F170 T174 E175 F193 T196 F197 I198 L206 A207L148-Y168 HydrophobicContact CD2-CD1 4.18Å; L148-Y168 HydrophobicContact CD2-CG 4.05Å; Y168-F170 HydrophobicContact CD2-CB 4.36Å; Y168-F170 HydrophobicContact CE2-CB 4.13Å; Y168-T174 VanDerWaalsContact O-CA 3.29Å; Y168-T174 WeakPolarHBondContact O-CA 3.36Å; Y168-E175 HydrophobicContact CD1-CB 4.15Å; Y168-E175 HydrophobicContact CE1-CB 3.61Å; Y168-E175 HydrophobicContact CE1-CG 4.14Å; Y168-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y168-E175 VanDerWaalsContact CZ-OE2 3.3Å; Y168-E175 PolarHBondContact N-O 2.75Å; Y168-E175 PolarHBondContact O-N 3.38Å; Y168-E175 PolarHBondContact OH-OE2 3.46Å; Y168-F193 HydrophobicContact CD1-CD1 4.12Å; Y168-F193 HydrophobicContact CD1-CD2 4.17Å; Y168-F193 AromaticContact CD1-CE1 3.72Å; Y168-F193 HydrophobicContact CD1-CE1 3.72Å; Y168-F193 AromaticContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CG 4.33Å; Y168-F193 AromaticContact CD1-CZ 3.52Å; Y168-F193 HydrophobicContact CD1-CZ 3.52Å; Y168-F193 AromaticContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD2 4.45Å; Y168-F193 AromaticContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE2 4.37Å; Y168-F193 HydrophobicContact CE1-CG 4.16Å; Y168-F193 HydrophobicContact CE1-CZ 4.04Å; Y168-T196 HydrophobicContact CE1-CG2 4.1Å; Y168-T196 WeakPolarHBondContact OH-CA 3.44Å; Y168-T196 VanDerWaalsContact OH-CB 3.28Å; Y168-T196 WeakPolarHBondContact OH-CB 3.25Å; Y168-F197 PolarHBondContact OH-N 3.38Å; Y168-I198 HydrophobicContact CD2-CD1 4.49Å; Y168-I198 HydrophobicContact CD2-CG1 4.49Å; Y168-I198 HydrophobicContact CE2-CD1 4.31Å; Y168-I198 HydrophobicContact CE2-CG1 3.98Å; Y168-L206 HydrophobicContact CD2-CD1 3.56Å; Y168-L206 HydrophobicContact CE2-CD1 4.43Å; Y168-L206 HydrophobicContact CG-CD1 4.19Å; Y168-A207 CarbonylContact C-O 3.57Å; Y168-A207 VanDerWaalsContact CA-O 3.23Å; Y168-A207 WeakPolarHBondContact CA-O 3.21Å
169R96.6Very high96.1Very high9 Ų955.3 Ų55.33%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-125.9131.2168.3-177.8-168.561.166.33.9110.4L40 S171 W173 A207L40-R169 HydrophobicContact CB-CB 3.97Å; L40-R169 HydrophobicContact CD1-CB 4.15Å; L40-R169 HydrophobicContact CG-CB 4.46Å; L40-R169 PolarHBondContact O-NE 2.93Å; L40-R169 PolarHBondContact O-NH2 3.28Å; R169-S171 PolarHBondContact NH1-O 2.97Å; R169-S171 VanDerWaalsContact NH1-O 3.17Å; R169-W173 CarbonylContact C-O 3.56Å; R169-W173 VanDerWaalsContact CA-O 3.24Å; R169-W173 WeakPolarHBondContact CA-O 3.17Å; R169-W173 WeakPolarHBondContact CG-O 3.46Å; R169-A207 HydrophobicContact CB-CB 4.29Å; R169-A207 PolarHBondContact N-O 2.94Å; R169-A207 PolarHBondContact O-N 2.81Å
170F94.9Very high96.3Very high6 Ų656.1 Ų56.13%0.02627%0.271CS..EExtended strand (participates in β ladder)trans-131.9119.5169.5-170.1-96.6000109.1Y168 V172 W173 I198 N199 E204 L206 L228Y168-F170 HydrophobicContact CD2-CB 4.36Å; Y168-F170 HydrophobicContact CE2-CB 4.13Å; F170-V172 PolarHBondContact O-N 3.23Å; F170-W173 PolarHBondContact N-O 2.99Å; F170-W173 PolarHBondContact O-N 3.33Å; F170-I198 HydrophobicContact CB-CG1 4Å; F170-I198 HydrophobicContact CD2-CG1 4.3Å; F170-I198 HydrophobicContact CD2-CG2 4.21Å; F170-I198 HydrophobicContact CE2-CG2 4.2Å; F170-I198 HydrophobicContact CG-CB 4.36Å; F170-I198 HydrophobicContact CG-CG1 4.04Å; F170-I198 HydrophobicContact CG-CG2 4.44Å; F170-I198 HydrophobicContact CZ-CG2 4.39Å; F170-N199 HydrophobicContact CE1-CB 3.83Å; F170-N199 VanDerWaalsContact CE1-N 3.27Å; F170-N199 HydrophobicContact CZ-CB 4.22Å; F170-E204 HydrophobicContact CE2-CB 3.93Å; F170-E204 HydrophobicContact CZ-CB 4Å; F170-L206 HydrophobicContact CB-CD1 4.28Å; F170-L206 HydrophobicContact CD2-CD1 4.44Å; F170-L228 HydrophobicContact CE2-CD1 3.61Å; F170-L228 HydrophobicContact CE2-CD2 4.28Å; F170-L228 HydrophobicContact CE2-CG 4.15Å; F170-L228 HydrophobicContact CZ-CD1 3.88Å
171S90.6Very high96.5Very high39 Ų3952.3 Ų52.327%0.27326%0.261SS..THydrogen-bonded Turntrans55.4-123.9-170.2-161.60000111.3R169 E204R169-S171 PolarHBondContact NH1-O 2.97Å; R169-S171 VanDerWaalsContact NH1-O 3.17Å; S171-E204 WeakPolarHBondContact CA-OE2 3.46Å; S171-E204 WeakPolarHBondContact CB-OE2 3.25Å; S171-E204 PolarHBondContact N-OE2 3.21Å; S171-E204 PolarHBondContact OG-OE2 3Å
172V91.6Very high96.6Very high117 Ų11756.2 Ų56.271%0.70927%0.272SS*.THydrogen-bonded Turntrans-84.7-11176.8-60.10000114.4F170F170-V172 PolarHBondContact O-N 3.23Å
173W94.1Very high96.6Very high133 Ų13358 Ų5850%0.50428%0.281SS..EExtended strand (participates in β ladder)trans-91.5131.9-174.6-57101.9000110.7R169 F170 F197R169-W173 CarbonylContact C-O 3.56Å; R169-W173 VanDerWaalsContact CA-O 3.24Å; R169-W173 WeakPolarHBondContact CA-O 3.17Å; R169-W173 WeakPolarHBondContact CG-O 3.46Å; F170-W173 PolarHBondContact N-O 2.99Å; F170-W173 PolarHBondContact O-N 3.33Å; W173-F197 HydrophobicContact CB-CB 3.84Å; W173-F197 HydrophobicContact CB-CD2 4.01Å; W173-F197 HydrophobicContact CB-CG 4.04Å; W173-F197 HydrophobicContact CD2-CB 4.45Å; W173-F197 HydrophobicContact CD2-CD1 4.16Å; W173-F197 HydrophobicContact CD2-CD2 4.35Å; W173-F197 HydrophobicContact CD2-CG 4.06Å; W173-F197 HydrophobicContact CE3-CE2 4.45Å; W173-F197 HydrophobicContact CE3-CZ 4.49Å; W173-F197 HydrophobicContact CG-CB 3.7Å; W173-F197 HydrophobicContact CG-CD1 4.28Å; W173-F197 HydrophobicContact CG-CD2 4.13Å; W173-F197 AromaticContact CG-CG 3.78Å; W173-F197 HydrophobicContact CG-CG 3.78Å
174T96.8Very high96.6Very high75 Ų7561.3 Ų61.346%0.4632%0.316SS..EExtended strand (participates in β ladder)trans-127.3130.7173.4-56.50000108.8L40 Y168L40-T174 HydrophobicContact CD1-CG2 3.69Å; L40-T174 HydrophobicContact CG-CG2 4.19Å; Y168-T174 VanDerWaalsContact O-CA 3.29Å; Y168-T174 WeakPolarHBondContact O-CA 3.36Å
175E97.3Very high96.4Very high61 Ų6165.6 Ų65.629%0.28534%0.338SS..EExtended strand (participates in β ladder)trans-134.6145.7177.8-62.4-169107.100111.6Y167 Y168 F193 F197Y167-E175 VanDerWaalsContact CA-O 3.29Å; Y167-E175 WeakPolarHBondContact CA-O 3.46Å; Y168-E175 HydrophobicContact CD1-CB 4.15Å; Y168-E175 HydrophobicContact CE1-CB 3.61Å; Y168-E175 HydrophobicContact CE1-CG 4.14Å; Y168-E175 WeakPolarHBondContact CE1-OE2 3.47Å; Y168-E175 VanDerWaalsContact CZ-OE2 3.3Å; Y168-E175 PolarHBondContact N-O 2.75Å; Y168-E175 PolarHBondContact O-N 3.38Å; Y168-E175 PolarHBondContact OH-OE2 3.46Å; E175-F193 HydrophobicContact CB-CE1 4.31Å; E175-F197 VanDerWaalsContact CD-CE2 3.46Å; E175-F197 HydrophobicContact CG-CD2 4.15Å; E175-F197 HydrophobicContact CG-CE2 4.14Å; E175-F197 WeakPolarHBondContact OE1-CE2 3.36Å; E175-F197 WeakPolarHBondContact OE2-CD2 3.31Å
176E97.9Very high96.3Very high76 Ų7667.2 Ų67.236%0.35535%0.349SS..EExtended strand (participates in β ladder)trans-92.8139.8170.5-173.4177.3166.500110.7Y167 Q178Y167-E176 HydrophobicContact CD1-CB 3.6Å; Y167-E176 HydrophobicContact CD1-CG 3.84Å; Y167-E176 HydrophobicContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CB 3.48Å; Y167-E176 VanDerWaalsContact CE1-CD 3.5Å; Y167-E176 HydrophobicContact CE1-CG 3.4Å; Y167-E176 VanDerWaalsContact CE1-CG 3.4Å; Y167-E176 WeakPolarHBondContact CE1-OE2 3.24Å; Y167-E176 PolarHBondContact OH-OE2 3.22Å; E176-Q178 PolarHBondContact O-NE2 2.8Å
177C98.1Very high96.2Very high0 Ų069.1 Ų69.10%036%0.357CS..  trans-67.8138.5176-1710000112.8L166 Y180 C191 F193L166-C177 HydrophobicContact CB-CB 4.32Å; L166-C177 HydrophobicContact CD2-CB 4.38Å; L166-C177 WeakPolarHBondContact O-CB 3.22Å; L166-C177 PolarHBondContact O-N 2.89Å; C177-Y180 HydrophobicContact CB-CE1 3.88Å; C177-Y180 HydrophobicContact CB-CE2 4.07Å; C177-Y180 WeakPolarHBondContact CB-OH 3.38Å; C177-Y180 WeakPolarHBondContact O-CE2 3.32Å; C177-Y180 PolarHBondContact O-OH 3.28Å; C177-C191 HydrophobicContact CB-CB 3.92Å; C177-C191 WeakPolarHBondContact CB-SG 3.42Å; C177-C191 WeakPolarHBondContact SG-CB 3.41Å; C177-C191 CovalentContact SG-SG 2Å; C177-C191 PolarHBondContact SG-SG 2.85Å; C177-F193 VanDerWaalsContact CA-CE1 3.47Å; C177-F193 HydrophobicContact CB-CE1 4Å; C177-F193 HydrophobicContact CB-CE2 3.95Å; C177-F193 HydrophobicContact CB-CZ 3.44Å; C177-F193 VanDerWaalsContact CB-CZ 3.44Å
178Q97.4Very high96.2Very high149 Ų14967 Ų6770%0.69635%0.349SS*.  trans-112.2-28.1178.5-57.6-57.4-51.400112.6E176E176-Q178 PolarHBondContact O-NE2 2.8Å
179E97.6Very high96.2Very high103 Ų10369.5 Ų69.548%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-10794.9-176.2-63.8-178.3-14600110.8W192E179-W192 HydrophobicContact CB-CB 4.43Å; E179-W192 PolarHBondContact O-N 3.1Å
180Y98.3Very high96.3Very high42 Ų4269.8 Ų69.817%0.16537%0.366CS..EExtended strand (participates in β ladder)trans-100.4145.5179.7-65.6-85.9000112.7W152 F165 L166 C177 N188 A190 C191W152-Y180 HydrophobicContact CH2-CD1 4.09Å; W152-Y180 HydrophobicContact CH2-CE1 4.05Å; F165-Y180 WeakPolarHBondContact CA-OH 3.19Å; L166-Y180 HydrophobicContact CB-CE1 4.29Å; L166-Y180 PolarHBondContact N-OH 2.88Å; C177-Y180 HydrophobicContact CB-CE1 3.88Å; C177-Y180 HydrophobicContact CB-CE2 4.07Å; C177-Y180 WeakPolarHBondContact CB-OH 3.38Å; C177-Y180 WeakPolarHBondContact O-CE2 3.32Å; C177-Y180 PolarHBondContact O-OH 3.28Å; Y180-N188 WeakPolarHBondContact CB-OD1 3.37Å; Y180-N188 HydrophobicContact CD1-CB 3.64Å; Y180-N188 HydrophobicContact CE1-CB 4.19Å; Y180-N188 HydrophobicContact CG-CB 4.07Å; Y180-A190 CarbonylContact C-O 3.57Å; Y180-A190 VanDerWaalsContact CA-O 3.25Å; Y180-A190 WeakPolarHBondContact CA-O 3.3Å; Y180-A190 WeakPolarHBondContact CD1-O 3.1Å; Y180-C191 HydrophobicContact CD1-CB 4.13Å; Y180-C191 HydrophobicContact CE1-CB 4.16Å
181S97.9Very high96.5Very high73 Ų7369.7 Ų69.751%0.5137%0.366SS..EExtended strand (participates in β ladder)trans-99.8141.6158.9-49.10000109.5I189 A190S181-I189 WeakPolarHBondContact O-CG1 3.16Å; S181-I189 PolarHBondContact O-N 3.06Å; S181-A190 PolarHBondContact N-O 3.2Å; S181-A190 PolarHBondContact O-N 2.77Å
182R97.4Very high96.8Very high142 Ų14270.9 Ų70.954%0.53637%0.365SS..EExtended strand (participates in β ladder)trans-119.9153.4-170.6-59.4-178.1-170.1133.85.3112N186 R187 N188R182-N186 WeakPolarHBondContact CD-OD1 3.25Å; R182-N186 PolarHBondContact NH1-OD1 3.08Å; R182-R187 CarbonylContact C-O 3.5Å; R182-R187 WeakPolarHBondContact CA-O 3.44Å; R182-N188 WeakPolarHBondContact CG-OD1 3.46Å; R182-N188 PolarHBondContact NE-OD1 2.89Å
183D95.8Very high97.1Very high38 Ų3865.8 Ų65.820%0.20333%0.333CS..  trans-80.8-176.7171.973.71.8000112.2L185 N186 R187 I189D183-L185 PolarHBondContact O-N 3.25Å; D183-L185 WeakPolarHBondContact OD1-CA 3.33Å; D183-L185 PolarHBondContact OD1-N 2.91Å; D183-N186 PolarHBondContact O-N 3.06Å; D183-N186 PolarHBondContact OD1-N 3.06Å; D183-N186 VanDerWaalsContact OD1-N 3.1Å; D183-R187 PolarHBondContact N-O 3.3Å; D183-R187 WeakPolarHBondContact OD1-CB 3.42Å; D183-R187 PolarHBondContact OD1-N 2.99Å; D183-R187 IonicContact OD1-NE 3.22Å; D183-R187 IonicContact OD2-CZ 3.61Å; D183-R187 IonicContact OD2-NE 3.94Å; D183-R187 PolarHBondContact OD2-NE 2.84Å; D183-R187 IonicContact OD2-NH2 3.98Å; D183-R187 PolarHBondContact OD2-NH2 2.75Å; D183-I189 HydrophobicContact CB-CD1 4.1Å; D183-I189 HydrophobicContact CB-CG1 4.5Å; D183-I189 HydrophobicContact CB-CG2 3.96Å
184A96Very high97.1Very high111 Ų11161.8 Ų61.892%0.91732%0.324SS*.THydrogen-bonded Turntrans-62.9-22.6179.500000113.9N186A184-N186 VanDerWaalsContact C-N 3.32Å
185L94.6Very high96.8Very high92 Ų9264.8 Ų64.848%0.48233%0.327SS..THydrogen-bonded Turntrans-9512.4176.6-61.4179.1000112E160 D183 R187E160-L185 HydrophobicContact CG-CD1 4.46Å; D183-L185 PolarHBondContact O-N 3.25Å; D183-L185 WeakPolarHBondContact OD1-CA 3.33Å; D183-L185 PolarHBondContact OD1-N 2.91Å; L185-R187 HydrophobicContact CB-CG 4.23Å; L185-R187 PolarHBondContact O-N 2.92Å
186N95.6Very high96.6Very high93 Ų9362.7 Ų62.750%0.49732%0.319SS..SBendtrans62.526.2179.7-164.654.6000113.8Q163 R182 D183 A184Q163-N186 PolarHBondContact NE2-O 2.97Å; Q163-N186 VanDerWaalsContact NE2-O 3.07Å; R182-N186 WeakPolarHBondContact CD-OD1 3.25Å; R182-N186 PolarHBondContact NH1-OD1 3.08Å; D183-N186 PolarHBondContact O-N 3.06Å; D183-N186 PolarHBondContact OD1-N 3.06Å; D183-N186 VanDerWaalsContact OD1-N 3.1Å; A184-N186 VanDerWaalsContact C-N 3.32Å
187R96.5Very high96.4Very high41 Ų4163.3 Ų63.316%0.15532%0.32CS..  trans-89138.4172.5-53.5179.2-63.8-170.11.1109.6V154 T162 R182 D183 L185 I189V154-R187 VanDerWaalsContact CG1-NH1 3.31Å; T162-R187 WeakPolarHBondContact O-CD 3.35Å; T162-R187 VanDerWaalsContact O-CG 3.3Å; T162-R187 WeakPolarHBondContact O-CG 3.49Å; R182-R187 CarbonylContact C-O 3.5Å; R182-R187 WeakPolarHBondContact CA-O 3.44Å; D183-R187 PolarHBondContact N-O 3.3Å; D183-R187 WeakPolarHBondContact OD1-CB 3.42Å; D183-R187 PolarHBondContact OD1-N 2.99Å; D183-R187 IonicContact OD1-NE 3.22Å; D183-R187 IonicContact OD2-CZ 3.61Å; D183-R187 IonicContact OD2-NE 3.94Å; D183-R187 PolarHBondContact OD2-NE 2.84Å; D183-R187 IonicContact OD2-NH2 3.98Å; D183-R187 PolarHBondContact OD2-NH2 2.75Å; L185-R187 HydrophobicContact CB-CG 4.23Å; L185-R187 PolarHBondContact O-N 2.92Å; R187-I189 PolarHBondContact O-N 3.49Å
188N98.1Very high96.2Very high6 Ų663.8 Ų63.83%0.03232%0.323CS..EExtended strand (participates in β ladder)trans-67.5124.9177-66.5-21.2000109.8W152 Q163 Y164 Y180 R182W152-N188 VanDerWaalsContact CE2-O 3.32Å; W152-N188 HydrophobicContact CZ2-CB 4.04Å; W152-N188 VanDerWaalsContact CZ2-O 3.28Å; W152-N188 WeakPolarHBondContact CZ2-O 3.4Å; W152-N188 PolarHBondContact NE1-O 3.31Å; Q163-N188 VanDerWaalsContact OE1-CB 3.25Å; Q163-N188 PolarHBondContact OE1-ND2 2.88Å; Y164-N188 WeakPolarHBondContact O-CB 3.46Å; Y164-N188 PolarHBondContact O-ND2 2.99Å; Y180-N188 WeakPolarHBondContact CB-OD1 3.37Å; Y180-N188 HydrophobicContact CD1-CB 3.64Å; Y180-N188 HydrophobicContact CE1-CB 4.19Å; Y180-N188 HydrophobicContact CG-CB 4.07Å; R182-N188 WeakPolarHBondContact CG-OD1 3.46Å; R182-N188 PolarHBondContact NE-OD1 2.89Å
189I97.8Very high95.9Very high53 Ų5360.8 Ų60.827%0.27231%0.312SS..EExtended strand (participates in β ladder)trans-126.2-11.1-179.658.5163.7000113.3T151 W152 V154 S181 D183 R187T151-I189 WeakPolarHBondContact CA-O 3.48Å; W152-I189 PolarHBondContact N-O 3.09Å; V154-I189 HydrophobicContact CG2-CG2 3.84Å; S181-I189 WeakPolarHBondContact O-CG1 3.16Å; S181-I189 PolarHBondContact O-N 3.06Å; D183-I189 HydrophobicContact CB-CD1 4.1Å; D183-I189 HydrophobicContact CB-CG1 4.5Å; D183-I189 HydrophobicContact CB-CG2 3.96Å; R187-I189 PolarHBondContact O-N 3.49Å
190A98.4Very high95.2Very high16 Ų1656.5 Ų56.513%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-148.9155.5173.400000110.6C150 T151 Y180 S181C150-A190 CarbonylContact O-C 3.59Å; C150-A190 WeakPolarHBondContact O-CA 3.35Å; C150-A190 WeakPolarHBondContact O-CB 2.94Å; T151-A190 HydrophobicContact CG2-CB 3.76Å; Y180-A190 CarbonylContact C-O 3.57Å; Y180-A190 VanDerWaalsContact CA-O 3.25Å; Y180-A190 WeakPolarHBondContact CA-O 3.3Å; Y180-A190 WeakPolarHBondContact CD1-O 3.1Å; S181-A190 PolarHBondContact N-O 3.2Å; S181-A190 PolarHBondContact O-N 2.77Å
191C98.4Very high94.5Very high4 Ų458.9 Ų58.93%0.02730%0.304CS..EExtended strand (participates in β ladder)trans-133.8143178163.30000110.4R149 C150 W152 L166 C177 Y180 F193R149-C191 WeakPolarHBondContact CA-O 3.32Å; C150-C191 PolarHBondContact N-O 3.24Å; C150-C191 PolarHBondContact O-N 3.27Å; W152-C191 HydrophobicContact CH2-CB 4.06Å; W152-C191 HydrophobicContact CZ3-CB 3.97Å; L166-C191 HydrophobicContact CB-CB 4.41Å; L166-C191 HydrophobicContact CD1-CB 4.09Å; C177-C191 HydrophobicContact CB-CB 3.92Å; C177-C191 WeakPolarHBondContact CB-SG 3.42Å; C177-C191 WeakPolarHBondContact SG-CB 3.41Å; C177-C191 CovalentContact SG-SG 2Å; C177-C191 PolarHBondContact SG-SG 2.85Å; Y180-C191 HydrophobicContact CD1-CB 4.13Å; Y180-C191 HydrophobicContact CE1-CB 4.16Å; C191-F193 VanDerWaalsContact SG-CD2 3.59Å; C191-F193 WeakPolarHBondContact SG-CE2 3.1Å
192W98.1Very high93.8Very high63 Ų6356 Ų5624%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-123.8124.1172.5173.9-127.1000111.5S147 L148 R149 E179 P194S147-W192 WeakPolarHBondContact OG-CH2 3.43Å; S147-W192 WeakPolarHBondContact OG-CZ3 3.35Å; L148-W192 VanDerWaalsContact O-CE3 3.29Å; R149-W192 HydrophobicContact CB-CE3 4.28Å; R149-W192 HydrophobicContact CG-CD2 4.11Å; R149-W192 HydrophobicContact CG-CE3 3.09Å; R149-W192 HydrophobicContact CG-CH2 4.39Å; R149-W192 HydrophobicContact CG-CZ3 3.28Å; R149-W192 VanDerWaalsContact NE-CE3 3.33Å; E179-W192 HydrophobicContact CB-CB 4.43Å; E179-W192 PolarHBondContact O-N 3.1Å; W192-P194 HydrophobicContact CZ2-CB 4.43Å
193F97.1Very high93.2Very high11 Ų1157.3 Ų57.35%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-104.1105.7163.7-62.5-91.2000108.8S147 L148 L166 Y168 E175 C177 C191 R195 T196S147-F193 VanDerWaalsContact CA-O 3.26Å; S147-F193 WeakPolarHBondContact CA-O 3.36Å; S147-F193 WeakPolarHBondContact CB-O 3.18Å; L148-F193 HydrophobicContact CB-CB 4.19Å; L148-F193 HydrophobicContact CB-CD2 4.11Å; L148-F193 HydrophobicContact CD2-CD2 3.86Å; L148-F193 HydrophobicContact CD2-CE2 4.11Å; L148-F193 HydrophobicContact CG-CD2 4.13Å; L148-F193 PolarHBondContact N-O 2.78Å; L148-F193 PolarHBondContact O-N 3.02Å; L166-F193 HydrophobicContact CD2-CE2 3.55Å; L166-F193 HydrophobicContact CD2-CZ 3.88Å; Y168-F193 HydrophobicContact CD1-CD1 4.12Å; Y168-F193 HydrophobicContact CD1-CD2 4.17Å; Y168-F193 AromaticContact CD1-CE1 3.72Å; Y168-F193 HydrophobicContact CD1-CE1 3.72Å; Y168-F193 AromaticContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CE2 3.75Å; Y168-F193 HydrophobicContact CD1-CG 4.33Å; Y168-F193 AromaticContact CD1-CZ 3.52Å; Y168-F193 HydrophobicContact CD1-CZ 3.52Å; Y168-F193 AromaticContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD1 3.8Å; Y168-F193 HydrophobicContact CE1-CD2 4.45Å; Y168-F193 AromaticContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE1 3.74Å; Y168-F193 HydrophobicContact CE1-CE2 4.37Å; Y168-F193 HydrophobicContact CE1-CG 4.16Å; Y168-F193 HydrophobicContact CE1-CZ 4.04Å; E175-F193 HydrophobicContact CB-CE1 4.31Å; C177-F193 VanDerWaalsContact CA-CE1 3.47Å; C177-F193 HydrophobicContact CB-CE1 4Å; C177-F193 HydrophobicContact CB-CE2 3.95Å; C177-F193 HydrophobicContact CB-CZ 3.44Å; C177-F193 VanDerWaalsContact CB-CZ 3.44Å; C191-F193 VanDerWaalsContact SG-CD2 3.59Å; C191-F193 WeakPolarHBondContact SG-CE2 3.1Å; F193-R195 PolarHBondContact O-N 2.95Å; F193-T196 HydrophobicContact CB-CG2 3.49Å; F193-T196 VanDerWaalsContact CB-CG2 3.49Å; F193-T196 HydrophobicContact CG-CG2 4.18Å
194P93.1Very high92.9Very high49 Ų4959.8 Ų59.832%0.31831%0.306SS..EExtended strand (participates in β ladder)trans-64.5-29.1177.424.9-33.2000111.9W192W192-P194 HydrophobicContact CZ2-CB 4.43Å
195R91.4Very high92.8Very high137 Ų13758.1 Ų58.152%0.51728%0.279SS..EExtended strand (participates in β ladder)trans-139.8137.1179.9-59.7-176.1-71.1-156.9-0.9109.2Q145 F193Q145-R195 VanDerWaalsContact OE1-CG 3.27Å; F193-R195 PolarHBondContact O-N 2.95Å
196T93.9Very high92.9Very high18 Ų1853.8 Ų53.811%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-136.4166.618064.90000110.7V146 L148 Y168 F193 I198V146-T196 WeakPolarHBondContact O-CB 3.25Å; V146-T196 PolarHBondContact O-N 3.13Å; V146-T196 PolarHBondContact O-OG1 3.23Å; L148-T196 HydrophobicContact CB-CG2 3.9Å; Y168-T196 HydrophobicContact CE1-CG2 4.1Å; Y168-T196 WeakPolarHBondContact OH-CA 3.44Å; Y168-T196 VanDerWaalsContact OH-CB 3.28Å; Y168-T196 WeakPolarHBondContact OH-CB 3.25Å; F193-T196 HydrophobicContact CB-CG2 3.49Å; F193-T196 VanDerWaalsContact CB-CG2 3.49Å; F193-T196 HydrophobicContact CG-CG2 4.18Å; T196-I198 HydrophobicContact CG2-CD1 4.14Å; T196-I198 PolarHBondContact O-N 2.98Å; T196-I198 WeakPolarHBondContact OG1-CB 3.01Å; T196-I198 PolarHBondContact OG1-N 2.96Å
197F92.8Very high93Very high89 Ų8949.4 Ų49.439%0.3923%0.233SC..SBendtrans-84.16.8169.5-64-78000113.3Y168 W173 E175 N199Y168-F197 PolarHBondContact OH-N 3.38Å; W173-F197 HydrophobicContact CB-CB 3.84Å; W173-F197 HydrophobicContact CB-CD2 4.01Å; W173-F197 HydrophobicContact CB-CG 4.04Å; W173-F197 HydrophobicContact CD2-CB 4.45Å; W173-F197 HydrophobicContact CD2-CD1 4.16Å; W173-F197 HydrophobicContact CD2-CD2 4.35Å; W173-F197 HydrophobicContact CD2-CG 4.06Å; W173-F197 HydrophobicContact CE3-CE2 4.45Å; W173-F197 HydrophobicContact CE3-CZ 4.49Å; W173-F197 HydrophobicContact CG-CB 3.7Å; W173-F197 HydrophobicContact CG-CD1 4.28Å; W173-F197 HydrophobicContact CG-CD2 4.13Å; W173-F197 AromaticContact CG-CG 3.78Å; W173-F197 HydrophobicContact CG-CG 3.78Å; E175-F197 VanDerWaalsContact CD-CE2 3.46Å; E175-F197 HydrophobicContact CG-CD2 4.15Å; E175-F197 HydrophobicContact CG-CE2 4.14Å; E175-F197 WeakPolarHBondContact OE1-CE2 3.36Å; E175-F197 WeakPolarHBondContact OE2-CD2 3.31Å; F197-N199 PolarHBondContact O-N 3.25Å
198I94.3Very high93Very high10 Ų1047.5 Ų47.55%0.05123%0.226CC..  trans-66.6127.9-178.3-60.5168.8000110T131 V146 L148 Y168 F170 T196 L206 L228T131-I198 HydrophobicContact CG2-CD1 4.3Å; V146-I198 HydrophobicContact CB-CB 4.09Å; V146-I198 HydrophobicContact CB-CG2 4.41Å; V146-I198 HydrophobicContact CG1-CB 4.03Å; V146-I198 HydrophobicContact CG1-CD1 4.47Å; V146-I198 HydrophobicContact CG1-CG2 4.06Å; V146-I198 WeakPolarHBondContact CG2-O 3.22Å; L148-I198 HydrophobicContact CB-CD1 4.3Å; L148-I198 HydrophobicContact CD2-CD1 4.26Å; Y168-I198 HydrophobicContact CD2-CD1 4.49Å; Y168-I198 HydrophobicContact CD2-CG1 4.49Å; Y168-I198 HydrophobicContact CE2-CD1 4.31Å; Y168-I198 HydrophobicContact CE2-CG1 3.98Å; F170-I198 HydrophobicContact CB-CG1 4Å; F170-I198 HydrophobicContact CD2-CG1 4.3Å; F170-I198 HydrophobicContact CD2-CG2 4.21Å; F170-I198 HydrophobicContact CE2-CG2 4.2Å; F170-I198 HydrophobicContact CG-CB 4.36Å; F170-I198 HydrophobicContact CG-CG1 4.04Å; F170-I198 HydrophobicContact CG-CG2 4.44Å; F170-I198 HydrophobicContact CZ-CG2 4.39Å; T196-I198 HydrophobicContact CG2-CD1 4.14Å; T196-I198 PolarHBondContact O-N 2.98Å; T196-I198 WeakPolarHBondContact OG1-CB 3.01Å; T196-I198 PolarHBondContact OG1-N 2.96Å; I198-L206 HydrophobicContact CD1-CD1 3.77Å; I198-L206 HydrophobicContact CD1-CD2 4.2Å; I198-L206 HydrophobicContact CG1-CD1 4.15Å; I198-L228 HydrophobicContact CG2-CD1 3.98Å; I198-L228 HydrophobicContact CG2-CD2 3.76Å
199N89.8Confident93Very high86 Ų8648.6 Ų48.646%0.4623%0.231SC..  trans-88.2112.7172.2-178-4.1000109.8F170 F197 K201 G202 L228F170-N199 HydrophobicContact CE1-CB 3.83Å; F170-N199 VanDerWaalsContact CE1-N 3.27Å; F170-N199 HydrophobicContact CZ-CB 4.22Å; F197-N199 PolarHBondContact O-N 3.25Å; N199-K201 PolarHBondContact O-N 2.91Å; N199-K201 PolarHBondContact OD1-N 2.65Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; N199-G202 PolarHBondContact O-N 3.23Å; N199-L228 VanDerWaalsContact O-CD1 3.31Å; N199-L228 WeakPolarHBondContact O-CD1 3.47Å
200S83.2Confident93Very high13 Ų1346.1 Ų46.19%0.09122%0.218CC..THydrogen-bonded Turntrans-58-23.4-178.762.10000114.7A259 R312S200-A259 WeakPolarHBondContact OG-CB 2.85Å; S200-R312 PolarHBondContact O-NH1 3.1Å
201K84.8Confident92.9Very high92 Ų9247.7 Ų47.740%0.422%0.224SC..THydrogen-bonded Turntrans-98.5-2.6177.7-63.7-176.1-178.7175.50113.3N199 A259 F260N199-K201 PolarHBondContact O-N 2.91Å; N199-K201 PolarHBondContact OD1-N 2.65Å; N199-K201 VanDerWaalsContact OD1-N 3.1Å; K201-A259 HydrophobicContact CD-CB 4.48Å; K201-A259 WeakPolarHBondContact CE-O 3.3Å; K201-A259 HydrophobicContact CG-CB 4.34Å; K201-A259 PolarHBondContact NZ-O 2.85Å; K201-F260 HydrophobicContact CB-CZ 4.45Å; K201-F260 HydrophobicContact CG-CD1 4.49Å; K201-F260 HydrophobicContact CG-CE1 4.12Å; K201-F260 HydrophobicContact CG-CE2 4.32Å; K201-F260 HydrophobicContact CG-CZ 4.01Å
202G83.3Confident92.6Very high11 Ų1148.3 Ų48.311%0.11323%0.231CC..  trans-66.2151.6-178.900000112N199N199-G202 PolarHBondContact O-N 3.23Å
203F84.3Confident92.4Very high171 Ų17148.3 Ų48.375%0.7524%0.241SC*.  trans-98-7.2171.9-61.4-80.8000112.4
204E89.8Confident92.2Very high90 Ų9049.1 Ų49.142%0.42125%0.248SC..SBendtrans-64.8147.5177.6-62.9179.4-123.700111.3F170 S171F170-E204 HydrophobicContact CE2-CB 3.93Å; F170-E204 HydrophobicContact CZ-CB 4Å; S171-E204 WeakPolarHBondContact CA-OE2 3.46Å; S171-E204 WeakPolarHBondContact CB-OE2 3.25Å; S171-E204 PolarHBondContact N-OE2 3.21Å; S171-E204 PolarHBondContact OG-OE2 3Å
205Q93.3Very high92.2Very high76 Ų7656.1 Ų56.136%0.35527%0.273SS..EExtended strand (participates in β ladder)trans-79.2142.2173.5-69176.7-34.400110.5F226Q205-F226 WeakPolarHBondContact CA-O 3.25Å
206L96.5Very high92Very high0 Ų056.7 Ų56.70%028%0.281CS..EExtended strand (participates in β ladder)trans-83.2120.4168.6176.568.8000108.3L148 Y168 F170 I198 V208 L225 F226 L228 I231L148-L206 HydrophobicContact CD1-CD2 3.78Å; L148-L206 HydrophobicContact CD2-CD2 4.05Å; Y168-L206 HydrophobicContact CD2-CD1 3.56Å; Y168-L206 HydrophobicContact CE2-CD1 4.43Å; Y168-L206 HydrophobicContact CG-CD1 4.19Å; F170-L206 HydrophobicContact CB-CD1 4.28Å; F170-L206 HydrophobicContact CD2-CD1 4.44Å; I198-L206 HydrophobicContact CD1-CD1 3.77Å; I198-L206 HydrophobicContact CD1-CD2 4.2Å; I198-L206 HydrophobicContact CG1-CD1 4.15Å; L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.05Å; L206-L225 WeakPolarHBondContact O-CA 3.23Å; L206-F226 HydrophobicContact CB-CB 4.37Å; L206-F226 PolarHBondContact N-O 2.69Å; L206-F226 PolarHBondContact O-N 2.96Å; L206-L228 HydrophobicContact CB-CD2 4.12Å; L206-I231 HydrophobicContact CD2-CD1 3.75Å
207A97.4Very high91.6Very high1 Ų157.2 Ų57.21%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-91.8131169.600000109.5A41 Y168 R169 L225A41-A207 HydrophobicContact CB-CB 3.86Å; Y168-A207 CarbonylContact C-O 3.57Å; Y168-A207 VanDerWaalsContact CA-O 3.23Å; Y168-A207 WeakPolarHBondContact CA-O 3.21Å; R169-A207 HydrophobicContact CB-CB 4.29Å; R169-A207 PolarHBondContact N-O 2.94Å; R169-A207 PolarHBondContact O-N 2.81Å; A207-L225 HydrophobicContact CB-CD2 3.71Å
208V98.2Very high91.5Very high1 Ų155.8 Ų55.81%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-120.8128.3173.4-179.80000108.2L127 L166 Y167 L206 I210 D223 Q224 F226L127-V208 HydrophobicContact CD2-CB 4.32Å; L127-V208 HydrophobicContact CD2-CG1 3.9Å; L166-V208 HydrophobicContact CD1-CG1 3.91Å; L166-V208 HydrophobicContact CD2-CG1 4.22Å; L166-V208 HydrophobicContact CG-CG1 3.96Å; Y167-V208 WeakPolarHBondContact O-CA 3.26Å; L206-V208 HydrophobicContact CD2-CG2 4.09Å; L206-V208 HydrophobicContact CG-CG2 4.05Å; V208-I210 HydrophobicContact CG1-CG1 4.49Å; V208-D223 WeakPolarHBondContact O-CA 3.43Å; V208-Q224 PolarHBondContact N-O 3.17Å; V208-Q224 PolarHBondContact O-N 3.33Å; V208-F226 HydrophobicContact CB-CD2 4.38Å; V208-F226 HydrophobicContact CB-CE2 4.07Å; V208-F226 HydrophobicContact CG2-CD2 3.9Å; V208-F226 HydrophobicContact CG2-CE2 3.95Å
209H97.6Very high91.4Very high29 Ų2955.8 Ų55.813%0.13429%0.293CS..EExtended strand (participates in β ladder)trans-119.3132178.2175.774.2000109.1L40 L166 Y167 L222 D223L40-H209 HydrophobicContact CD1-CB 3.96Å; L40-H209 HydrophobicContact CD2-CB 3.68Å; L40-H209 HydrophobicContact CG-CB 4.3Å; L166-H209 WeakPolarHBondContact CA-O 3.28Å; Y167-H209 AromaticContact CD2-CD2 3.81Å; Y167-H209 PolarHBondContact N-O 2.86Å; Y167-H209 PolarHBondContact O-N 2.94Å; H209-L222 CarbonylContact C-O 3.2Å; H209-L222 WeakPolarHBondContact CA-O 3.4Å; H209-D223 WeakPolarHBondContact CB-OD1 3.46Å; H209-D223 IonicContact CE1-OD1 3.28Å; H209-D223 IonicContact CG-OD1 2.7Å; H209-D223 IonicContact ND1-OD1 2.94Å; H209-D223 PolarHBondContact ND1-OD1 3.31Å
210I97.8Very high91.6Very high2 Ų254.4 Ų54.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-124.2120.5171.5-58.3174.9000108V124 L127 W152 Y164 F165 L166 V208 P221 L222V124-I210 HydrophobicContact CG1-CG2 3.87Å; V124-I210 HydrophobicContact CG2-CB 4.11Å; V124-I210 HydrophobicContact CG2-CD1 4.03Å; V124-I210 HydrophobicContact CG2-CG2 4.13Å; L127-I210 HydrophobicContact CD1-CD1 3.58Å; L127-I210 HydrophobicContact CD2-CD1 3.99Å; L127-I210 HydrophobicContact CG-CD1 4.31Å; W152-I210 HydrophobicContact CB-CD1 4.48Å; W152-I210 HydrophobicContact CD2-CD1 3.78Å; W152-I210 HydrophobicContact CE3-CD1 3.71Å; W152-I210 HydrophobicContact CG-CD1 4.13Å; W152-I210 HydrophobicContact CZ3-CD1 4.25Å; Y164-I210 HydrophobicContact CD1-CG2 4.16Å; F165-I210 WeakPolarHBondContact O-CA 3.25Å; L166-I210 HydrophobicContact CB-CG1 4.11Å; L166-I210 HydrophobicContact CD1-CD1 3.89Å; L166-I210 HydrophobicContact CD1-CG1 3.94Å; L166-I210 HydrophobicContact CG-CD1 4.43Å; L166-I210 HydrophobicContact CG-CG1 3.92Å; V208-I210 HydrophobicContact CG1-CG1 4.49Å; I210-P221 CarbonylContact O-C 3.56Å; I210-P221 VanDerWaalsContact O-CA 3.25Å; I210-P221 WeakPolarHBondContact O-CA 3.36Å; I210-L222 PolarHBondContact N-O 3.21Å; I210-L222 PolarHBondContact O-N 2.91Å
211N95Very high92.2Very high49 Ų4954.4 Ų54.426%0.26228%0.283SS..EExtended strand (participates in β ladder)trans-107.9173168.866.322.8000110.1Y164 F165 P221Y164-N211 WeakPolarHBondContact CA-O 3.3Å; F165-N211 WeakPolarHBondContact CB-OD1 3.48Å; F165-N211 PolarHBondContact N-O 2.91Å; F165-N211 PolarHBondContact O-N 2.88Å; F165-N211 PolarHBondContact O-OD1 2.79Å; N211-P221 HydrophobicContact CB-CB 4.41Å
212G93.6Very high92.7Very high17 Ų1751.2 Ų51.218%0.17527%0.27CS..EExtended strand (participates in β ladder)trans-147.1156.1174.200000112.6Q163Q163-G212 CarbonylContact O-C 3.49Å; Q163-G212 WeakPolarHBondContact O-CA 3.15Å
213S93.5Very high93.3Very high63 Ų6351.2 Ų51.244%0.44127%0.267SS..EExtended strand (participates in β ladder)trans-127.5132.8176.366.20000110.2T162 Q163T162-S213 WeakPolarHBondContact CA-O 3.38Å; Q163-S213 PolarHBondContact N-O 2.83Å; Q163-S213 PolarHBondContact O-N 2.88Å
214S93.8Very high93.8Very high27 Ų2746.3 Ų46.319%0.18925%0.247CC..  trans-139.6153.9170.5162.20000108.6P159 D161 T162 H216P159-S214 WeakPolarHBondContact CB-OG 3.42Å; D161-S214 VanDerWaalsContact CG-OG 3.32Å; D161-S214 PolarHBondContact OD1-OG 3.34Å; D161-S214 PolarHBondContact OD2-OG 3.05Å; T162-S214 WeakPolarHBondContact OG1-CB 3.44Å; S214-H216 VanDerWaalsContact C-N 3.28Å; S214-H216 PolarHBondContact OG-N 2.85Å
215K91.5Very high94.2Very high196 Ų19643.8 Ų43.885%0.85224%0.236SC*.SBendtrans-74-22.4173.5-62.4176-178.3175.70112.5D161D161-K215 WeakPolarHBondContact OD2-CB 3.1Å; D161-K215 PolarHBondContact OD2-N 2.84Å
216H86.9Confident94.3Very high149 Ų14941 Ų4169%0.6922%0.223SC*.SBendtrans-99.4-29.7-168.9-57.394.1000113.1P159 D161 S214P159-H216 HydrophobicContact CB-CB 4.38Å; P159-H216 HydrophobicContact CG-CB 4.2Å; D161-H216 VanDerWaalsContact CG-ND1 3.27Å; D161-H216 IonicContact OD1-CE1 2.81Å; D161-H216 IonicContact OD1-CG 3.67Å; D161-H216 IonicContact OD1-ND1 2.69Å; D161-H216 PolarHBondContact OD1-ND1 2.96Å; D161-H216 IonicContact OD2-CE1 3.82Å; D161-H216 IonicContact OD2-ND1 3.73Å; D161-H216 PolarHBondContact OD2-ND1 2.89Å; S214-H216 VanDerWaalsContact C-N 3.28Å; S214-H216 PolarHBondContact OG-N 2.85Å
217A86.3Confident94.1Very high29 Ų2943 Ų4324%0.2423%0.234CC..SBendtrans-152.8148.7-179.100000112.6P159 T219P159-A217 HydrophobicContact CG-CB 4.07Å; A217-T219 PolarHBondContact O-N 3.17Å
218A90.6Very high93.9Very high59 Ų5943.2 Ų43.249%0.48824%0.235SC..PPolyproline II helixtrans-67128.5166.400000109.6G118 S119G118-A218 WeakPolarHBondContact CA-O 3.09Å; S119-A218 PolarHBondContact N-O 3.21Å
219T92.5Very high93.5Very high11 Ų1146 Ų467%0.06725%0.246CC..BIsolated β-bridgetrans-91.3126.3179-58.70000109.6T122 T162 Y164 A217T122-T219 WeakPolarHBondContact O-CG2 3.49Å; T162-T219 HydrophobicContact CG2-CG2 4.22Å; Y164-T219 HydrophobicContact CE1-CG2 3.82Å; A217-T219 PolarHBondContact O-N 3.17Å
220K94.3Very high93.2Very high56 Ų5647.4 Ų47.424%0.24326%0.263CS..PPolyproline II helixtrans-68.9122177.4-174.3-178.6-179.2-173.60109.4H86 T122 S123H86-K220 WeakPolarHBondContact O-CE 3.43Å; T122-K220 PolarHBondContact OG1-N 2.98Å; S123-K220 VanDerWaalsContact CA-O 3.24Å; S123-K220 WeakPolarHBondContact CA-O 3.29Å; S123-K220 VanDerWaalsContact CB-O 3.26Å; S123-K220 WeakPolarHBondContact CB-O 3.37Å; S123-K220 PolarHBondContact OG-O 3.18Å
221P95.7Very high93Very high14 Ų1448.2 Ų48.29%0.09127%0.267CS..PPolyproline II helixtrans-66.9165.5178.229.2-34.7000111.4H86 P116 S123 I210 N211H86-P221 WeakPolarHBondContact CB-O 3.18Å; P116-P221 HydrophobicContact CB-CG 3.57Å; P116-P221 HydrophobicContact CG-CG 3.8Å; S123-P221 PolarHBondContact OG-O 3.49Å; I210-P221 CarbonylContact O-C 3.56Å; I210-P221 VanDerWaalsContact O-CA 3.25Å; I210-P221 WeakPolarHBondContact O-CA 3.36Å; N211-P221 HydrophobicContact CB-CB 4.41Å
222L95.9Very high92.9Very high24 Ų2446.3 Ų46.313%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-125.4133.7170.4-178.868.9000109.4V124 L127 H209 I210V124-L222 HydrophobicContact CG2-CB 3.7Å; V124-L222 HydrophobicContact CG2-CD2 3.52Å; V124-L222 HydrophobicContact CG2-CG 4.25Å; L127-L222 HydrophobicContact CB-CD2 3.85Å; L127-L222 HydrophobicContact CD2-CD2 4.07Å; H209-L222 CarbonylContact C-O 3.2Å; H209-L222 WeakPolarHBondContact CA-O 3.4Å; I210-L222 PolarHBondContact N-O 3.21Å; I210-L222 PolarHBondContact O-N 2.91Å
223D94.6Very high93Very high11 Ų1149.3 Ų49.36%0.05927%0.267CS..EExtended strand (participates in β ladder)trans-119.3133.7170.2-73.1-37.5000109.7P84 L85 H86 V208 H209P84-D223 HydrophobicContact CB-CB 4.04Å; L85-D223 WeakPolarHBondContact CA-OD2 3.2Å; L85-D223 WeakPolarHBondContact CB-OD2 3.46Å; L85-D223 PolarHBondContact N-OD2 3.32Å; H86-D223 HydrophobicContact CB-CB 4.24Å; H86-D223 PolarHBondContact CE1-O 2.73Å; H86-D223 PolarHBondContact N-OD2 3.07Å; H86-D223 PolarHBondContact ND1-N 2.89Å; H86-D223 PolarHBondContact ND1-O 3.38Å; V208-D223 WeakPolarHBondContact O-CA 3.43Å; H209-D223 WeakPolarHBondContact CB-OD1 3.46Å; H209-D223 IonicContact CE1-OD1 3.28Å; H209-D223 IonicContact CG-OD1 2.7Å; H209-D223 IonicContact ND1-OD1 2.94Å; H209-D223 PolarHBondContact ND1-OD1 3.31Å
224Q96.2Very high93Very high69 Ų6946.8 Ų46.832%0.32225%0.248SC..EExtended strand (participates in β ladder)trans-139.6137.9174.2-168.2169.5-9.400111.4L127 V208 F226L127-Q224 HydrophobicContact CD2-CB 4.11Å; V208-Q224 PolarHBondContact N-O 3.17Å; V208-Q224 PolarHBondContact O-N 3.33Å; Q224-F226 HydrophobicContact CB-CE2 3.79Å; Q224-F226 HydrophobicContact CB-CZ 4.13Å; Q224-F226 HydrophobicContact CG-CD2 4.32Å; Q224-F226 HydrophobicContact CG-CE1 4.26Å; Q224-F226 HydrophobicContact CG-CE2 3.73Å; Q224-F226 HydrophobicContact CG-CZ 3.7Å
225L96.1Very high93.1Very high36 Ų3646.8 Ų46.819%0.18825%0.246CC..EExtended strand (participates in β ladder)trans-97.7129.4173.2-65.3173.8000109.3A41 V82 P84 L206 A207A41-L225 HydrophobicContact CB-CD2 3.77Å; A41-L225 HydrophobicContact CB-CG 4.42Å; V82-L225 HydrophobicContact CG1-CD1 3.91Å; V82-L225 HydrophobicContact CG1-CD2 3.72Å; P84-L225 HydrophobicContact CG-CD1 4.32Å; P84-L225 HydrophobicContact CG-CG 4.36Å; L206-L225 WeakPolarHBondContact O-CA 3.23Å; A207-L225 HydrophobicContact CB-CD2 3.71Å
226F95.5Very high93.4Very high19 Ų1939.7 Ų39.78%0.08322%0.22CC..EExtended strand (participates in β ladder)trans-117.8130.1176.3-64.5-87.2000110.4L127 C129 Q205 L206 V208 Q224 I231L127-F226 HydrophobicContact CD2-CE2 4.19Å; L127-F226 HydrophobicContact CD2-CZ 4.29Å; L127-F226 HydrophobicContact CG-CE2 4.44Å; L127-F226 HydrophobicContact CG-CZ 4.13Å; C129-F226 HydrophobicContact CB-CE1 4.48Å; C129-F226 HydrophobicContact CB-CE2 4.29Å; C129-F226 HydrophobicContact CB-CZ 4.25Å; Q205-F226 WeakPolarHBondContact CA-O 3.25Å; L206-F226 HydrophobicContact CB-CB 4.37Å; L206-F226 PolarHBondContact N-O 2.69Å; L206-F226 PolarHBondContact O-N 2.96Å; V208-F226 HydrophobicContact CB-CD2 4.38Å; V208-F226 HydrophobicContact CB-CE2 4.07Å; V208-F226 HydrophobicContact CG2-CD2 3.9Å; V208-F226 HydrophobicContact CG2-CE2 3.95Å; Q224-F226 HydrophobicContact CB-CE2 3.79Å; Q224-F226 HydrophobicContact CB-CZ 4.13Å; Q224-F226 HydrophobicContact CG-CD2 4.32Å; Q224-F226 HydrophobicContact CG-CE1 4.26Å; Q224-F226 HydrophobicContact CG-CE2 3.73Å; Q224-F226 HydrophobicContact CG-CZ 3.7Å; F226-I231 HydrophobicContact CB-CD1 3.79Å; F226-I231 HydrophobicContact CB-CG1 4.45Å; F226-I231 HydrophobicContact CB-CG2 4.12Å; F226-I231 HydrophobicContact CD1-CG2 3.61Å; F226-I231 HydrophobicContact CE1-CG2 4.42Å; F226-I231 HydrophobicContact CG-CD1 4.37Å; F226-I231 HydrophobicContact CG-CG2 4.19Å
227T93.6Very high93.9Very high40 Ų4033 Ų3325%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-82.4127.6169.3-380000109.7Y229 A230T227-Y229 VanDerWaalsContact C-N 3.32Å; T227-Y229 HydrophobicContact CG2-CD1 3.61Å; T227-Y229 HydrophobicContact CG2-CE1 3.07Å; T227-Y229 PolarHBondContact O-N 3.24Å; T227-Y229 VanDerWaalsContact O-N 3.17Å; T227-A230 WeakPolarHBondContact O-CB 3.49Å; T227-A230 PolarHBondContact O-N 3.48Å
228L92.3Very high94.3Very high6 Ų635.6 Ų35.63%0.03120%0.198CC..Hα-helixtrans-55.4-41.3-169.1-68.7-177.1000114F170 I198 N199 L206 A230 I231 D232F170-L228 HydrophobicContact CE2-CD1 3.61Å; F170-L228 HydrophobicContact CE2-CD2 4.28Å; F170-L228 HydrophobicContact CE2-CG 4.15Å; F170-L228 HydrophobicContact CZ-CD1 3.88Å; I198-L228 HydrophobicContact CG2-CD1 3.98Å; I198-L228 HydrophobicContact CG2-CD2 3.76Å; N199-L228 VanDerWaalsContact O-CD1 3.31Å; N199-L228 WeakPolarHBondContact O-CD1 3.47Å; L206-L228 HydrophobicContact CB-CD2 4.12Å; L228-A230 PolarHBondContact O-N 2.77Å; L228-I231 HydrophobicContact CD2-CD1 4.49Å; L228-I231 PolarHBondContact O-N 3.3Å; L228-D232 WeakPolarHBondContact O-CB 3.39Å; L228-D232 PolarHBondContact O-N 3.13Å
229Y90.3Very high94.4Very high60 Ų6039 Ų3924%0.23521%0.208CC..Hα-helixtrans-65-21-179.463.2-100.7000114T227 R312 M313 G315T227-Y229 VanDerWaalsContact C-N 3.32Å; T227-Y229 HydrophobicContact CG2-CD1 3.61Å; T227-Y229 HydrophobicContact CG2-CE1 3.07Å; T227-Y229 PolarHBondContact O-N 3.24Å; T227-Y229 VanDerWaalsContact O-N 3.17Å; Y229-R312 HydrophobicContact CD1-CG 4.48Å; Y229-M313 HydrophobicContact CD1-CB 4.16Å; Y229-M313 HydrophobicContact CD1-CE 4.42Å; Y229-M313 HydrophobicContact CD2-CB 4.35Å; Y229-M313 HydrophobicContact CE1-CB 4.07Å; Y229-M313 HydrophobicContact CE1-CE 3.4Å; Y229-M313 VanDerWaalsContact CE1-CE 3.4Å; Y229-M313 HydrophobicContact CE2-CB 4.32Å; Y229-M313 HydrophobicContact CG-CB 4.31Å; Y229-M313 WeakPolarHBondContact OH-CE 3.45Å; Y229-G315 VanDerWaalsContact O-CA 3.29Å; Y229-G315 WeakPolarHBondContact O-CA 3.07Å
230A91.8Very high94.6Very high59 Ų5939.4 Ų39.449%0.48821%0.211SC..Hα-helixtrans-80.7-27.6178.600000112T227 L228T227-A230 WeakPolarHBondContact O-CB 3.49Å; T227-A230 PolarHBondContact O-N 3.48Å; L228-A230 PolarHBondContact O-N 2.77Å
231I93.7Very high94.7Very high18 Ų1839.4 Ų39.49%0.09222%0.215CC..Hα-helixtrans-108.7-6.3-177.263.6166.3000113.8C129 T130 T131 L206 F226 L228 Q233C129-I231 WeakPolarHBondContact O-CB 3.29Å; C129-I231 VanDerWaalsContact O-CG2 3.31Å; C129-I231 WeakPolarHBondContact O-CG2 3.48Å; T130-I231 CarbonylContact C-O 3.29Å; T130-I231 WeakPolarHBondContact CA-O 3.34Å; T131-I231 HydrophobicContact CG2-CD1 3.81Å; T131-I231 HydrophobicContact CG2-CG1 4.27Å; T131-I231 PolarHBondContact N-O 3.25Å; L206-I231 HydrophobicContact CD2-CD1 3.75Å; F226-I231 HydrophobicContact CB-CD1 3.79Å; F226-I231 HydrophobicContact CB-CG1 4.45Å; F226-I231 HydrophobicContact CB-CG2 4.12Å; F226-I231 HydrophobicContact CD1-CG2 3.61Å; F226-I231 HydrophobicContact CE1-CG2 4.42Å; F226-I231 HydrophobicContact CG-CD1 4.37Å; F226-I231 HydrophobicContact CG-CG2 4.19Å; L228-I231 HydrophobicContact CD2-CD1 4.49Å; L228-I231 PolarHBondContact O-N 3.3Å; I231-Q233 PolarHBondContact O-N 3.11Å
232D93.3Very high94.6Very high10 Ų1039.9 Ų39.95%0.05322%0.218CC..BIsolated β-bridgetrans-74.4106.3179.4-174.526.8000111.9T131 L228 V234 R312T131-D232 VanDerWaalsContact OG1-CA 3.3Å; T131-D232 WeakPolarHBondContact OG1-CA 3.32Å; L228-D232 WeakPolarHBondContact O-CB 3.39Å; L228-D232 PolarHBondContact O-N 3.13Å; D232-V234 PolarHBondContact O-N 3.23Å; D232-R312 IonicContact OD2-CZ 2.91Å; D232-R312 VanDerWaalsContact OD2-CZ 3.28Å; D232-R312 IonicContact OD2-NH1 3.24Å; D232-R312 PolarHBondContact OD2-NH1 3.04Å; D232-R312 IonicContact OD2-NH2 2.75Å; D232-R312 PolarHBondContact OD2-NH2 2.82Å
233Q94.5Very high94.5Very high80 Ų8044.2 Ų44.237%0.37424%0.238SC..  trans-82.394.3173.9-168175.125.500109.3T131 N132 I231 N235T131-Q233 PolarHBondContact O-N 3.4Å; N132-Q233 PolarHBondContact ND2-O 2.76Å; I231-Q233 PolarHBondContact O-N 3.11Å; Q233-N235 PolarHBondContact O-N 3.13Å
234V94.8Very high94.3Very high9 Ų947.7 Ų47.76%0.05526%0.255CS..PPolyproline II helixtrans-59.5129.4179.2-178.10000110.4D232 P256 F265 A305 V307 G318D232-V234 PolarHBondContact O-N 3.23Å; V234-P256 HydrophobicContact CG1-CG 4.46Å; V234-F265 HydrophobicContact CG1-CE1 4.02Å; V234-A305 HydrophobicContact CG1-CB 4.18Å; V234-V307 HydrophobicContact CG2-CG2 4.1Å; V234-G318 WeakPolarHBondContact O-CA 3.06Å
235N95.7Very high93.9Very high28 Ų2849.7 Ų49.715%0.1526%0.264CS..PPolyproline II helixtrans-62.1148.6175.8-73.3-53.6000112N132 T133 Q233 P256 L257N132-N235 PolarHBondContact ND2-OD1 3.24Å; N132-N235 PolarHBondContact OD1-OD1 2.84Å; T133-N235 PolarHBondContact O-ND2 3.18Å; Q233-N235 PolarHBondContact O-N 3.13Å; N235-P256 HydrophobicContact CB-CB 4.33Å; N235-P256 WeakPolarHBondContact O-CB 3.46Å; N235-L257 HydrophobicContact CB-CB 4.35Å; N235-L257 PolarHBondContact ND2-O 2.91Å
236P97Very high93.5Very high46 Ų4653.9 Ų53.930%0.29929%0.287SS..PPolyproline II helixtrans-61.2153.8170.925.9-33.5000111.2
237P97.2Very high93.1Very high8 Ų855.9 Ų55.95%0.05230%0.299CS..PPolyproline II helixtrans-53.5141.3171.6-26.636000112.4W253 Y267 V303 A305P237-W253 HydrophobicContact CB-CB 4.08Å; P237-W253 HydrophobicContact CB-CG 4.11Å; P237-Y267 HydrophobicContact CG-CD1 3.92Å; P237-Y267 HydrophobicContact CG-CE1 4.04Å; P237-V303 WeakPolarHBondContact CD-O 3.45Å; P237-V303 HydrophobicContact CG-CB 4.04Å; P237-V303 HydrophobicContact CG-CG1 3.83Å; P237-A305 HydrophobicContact CG-CB 4.12Å
238M93.9Very high93Very high85 Ų8554 Ų5442%0.41929%0.287SS..EExtended strand (participates in β ladder)trans-88.1157.3179.5-63.1179.764.800110.6V240 G254 L257M238-V240 PolarHBondContact O-N 3.04Å; M238-G254 PolarHBondContact N-O 3.33Å; M238-G254 WeakPolarHBondContact O-CA 3.15Å; M238-G254 PolarHBondContact O-N 3.41Å; M238-L257 HydrophobicContact SD-CB 4.08Å
239N94.6Very high93Very high129 Ų12953.8 Ų53.869%0.6929%0.286SS*.EExtended strand (participates in β ladder)trans48.751.6169.6-56.8-14.9000113.6T241N239-T241 PolarHBondContact O-N 2.65Å
240V96.4Very high93.3Very high21 Ų2154.8 Ų54.813%0.12729%0.29CS..EExtended strand (participates in β ladder)trans-67.7121.1171.4-172.70000107.3M238 Q252 W253 V303 I324M238-V240 PolarHBondContact O-N 3.04Å; V240-Q252 CarbonylContact C-O 3.58Å; V240-Q252 WeakPolarHBondContact CA-O 3.43Å; V240-W253 HydrophobicContact CB-CB 4.47Å; V240-W253 HydrophobicContact CG2-CB 4Å; V240-V303 HydrophobicContact CG1-CG2 4Å; V240-V303 HydrophobicContact CG2-CG2 4.25Å; V240-I324 HydrophobicContact CB-CD1 3.68Å; V240-I324 HydrophobicContact CG1-CD1 3.77Å; V240-I324 WeakPolarHBondContact O-CD1 3.44Å
241T95.7Very high93.5Very high56 Ų5652.1 Ų52.134%0.34427%0.267SS..EExtended strand (participates in β ladder)trans-125.7147.6175.8650000110.1N239 Q252N239-T241 PolarHBondContact O-N 2.65Å; T241-Q252 PolarHBondContact N-O 2.94Å; T241-Q252 PolarHBondContact O-N 3.17Å; T241-Q252 WeakPolarHBondContact OG1-CG 2.99Å; T241-Q252 PolarHBondContact OG1-NE2 2.98Å
242V94.6Very high93.7Very high24 Ų2454.6 Ų54.615%0.14528%0.279CS..EExtended strand (participates in β ladder)trans-137.7122.1-174.3-174.10000108.3L249 Y250 I251 I301 I324 V326V242-L249 HydrophobicContact CG1-CD2 3.66Å; V242-Y250 WeakPolarHBondContact CA-O 3.3Å; V242-I251 HydrophobicContact CG1-CG1 4.21Å; V242-I251 HydrophobicContact CG2-CG1 4.38Å; V242-I251 HydrophobicContact CG2-CG2 4.28Å; V242-I301 HydrophobicContact CG1-CD1 4.24Å; V242-I301 HydrophobicContact CG2-CB 4.27Å; V242-I301 HydrophobicContact CG2-CD1 4.34Å; V242-I301 HydrophobicContact CG2-CG1 4.31Å; V242-I301 HydrophobicContact CG2-CG2 4.31Å; V242-I324 HydrophobicContact CG2-CG2 4.21Å; V242-V326 HydrophobicContact CB-CG1 3.95Å; V242-V326 HydrophobicContact CG1-CB 4.46Å; V242-V326 HydrophobicContact CG1-CG1 3.9Å; V242-V326 HydrophobicContact CG1-CG2 3.9Å
243E92.4Very high93.9Very high115 Ų11554.4 Ų54.454%0.53728%0.277SS..EExtended strand (participates in β ladder)trans-116.8144.5176-69.6168.9-159.700109.4L249 Y250E243-L249 WeakPolarHBondContact O-CA 3.22Å; E243-Y250 PolarHBondContact N-O 2.83Å; E243-Y250 PolarHBondContact O-N 3.31Å
244I89.9Confident94Very high83 Ų8351.8 Ų51.843%0.42627%0.271SS..EExtended strand (participates in β ladder)trans-111.4117.7175.2-63.8168.1000107.7S248 L249 I293 V326I244-S248 WeakPolarHBondContact CA-O 3.39Å; I244-L249 HydrophobicContact CD1-CD2 4.21Å; I244-L249 HydrophobicContact CG1-CD2 3.61Å; I244-I293 HydrophobicContact CD1-CD1 4.33Å; I244-I293 HydrophobicContact CG1-CD1 4.31Å; I244-I293 HydrophobicContact CG2-CD1 4.19Å; I244-V326 HydrophobicContact CD1-CB 3.98Å; I244-V326 HydrophobicContact CD1-CG2 4.14Å
245E89.6Confident94Very high111 Ų11153.5 Ų53.552%0.51928%0.278SS..EExtended strand (participates in β ladder)trans-137.4130.8173.4-177.8-179.3-160.800108.7N247 S248 Y250E245-N247 PolarHBondContact O-N 3.28Å; E245-S248 PolarHBondContact N-O 2.9Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 3.45Å; E245-Y250 HydrophobicContact CB-CD2 4.18Å; E245-Y250 HydrophobicContact CB-CE2 3.74Å
246N86.9Confident94Very high124 Ų12452.2 Ų52.266%0.66327%0.271SS*.THydrogen-bonded Turntrans44.957.5177-60-29.3000113.6S248N246-S248 PolarHBondContact O-N 3.28Å; N246-S248 VanDerWaalsContact O-N 3.1Å; N246-S248 PolarHBondContact O-OG 3.07Å
247N87.5Confident93.8Very high62 Ų6252.1 Ų52.133%0.33227%0.268SS..THydrogen-bonded Turntrans56.225.5-178.9-67.762000114.7E245 I293 D295E245-N247 PolarHBondContact O-N 3.28Å; N247-I293 WeakPolarHBondContact O-CG1 3.39Å; N247-I293 PolarHBondContact O-N 3.24Å; N247-D295 PolarHBondContact ND2-OD1 2.89Å; N247-D295 PolarHBondContact ND2-OD2 2.82Å; N247-D295 PolarHBondContact OD1-OD1 2.64Å; N247-D295 PolarHBondContact OD1-OD2 2.84Å
248S91.6Very high93.6Very high1 Ų152 Ų521%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-127133.5-178-45.60000109.4I244 E245 N246 S291 K292I244-S248 WeakPolarHBondContact CA-O 3.39Å; E245-S248 PolarHBondContact N-O 2.9Å; E245-S248 WeakPolarHBondContact O-CA 3.48Å; E245-S248 VanDerWaalsContact O-CB 3.29Å; E245-S248 WeakPolarHBondContact O-CB 3.33Å; E245-S248 PolarHBondContact O-N 3.45Å; N246-S248 PolarHBondContact O-N 3.28Å; N246-S248 VanDerWaalsContact O-N 3.1Å; N246-S248 PolarHBondContact O-OG 3.07Å; S248-S291 CarbonylContact C-O 3.52Å; S248-S291 WeakPolarHBondContact CA-O 3.32Å; S248-K292 WeakPolarHBondContact OG-CD 3.22Å; S248-K292 PolarHBondContact OG-NZ 3Å
249L92.5Very high93.5Very high0 Ų049.1 Ų49.10%026%0.257CS..EExtended strand (participates in β ladder)trans-85.8119170.2-71.6173.7000109.1V242 E243 I244 I251 I271 I290 S291 I293 Y299 V326V242-L249 HydrophobicContact CG1-CD2 3.66Å; E243-L249 WeakPolarHBondContact O-CA 3.22Å; I244-L249 HydrophobicContact CD1-CD2 4.21Å; I244-L249 HydrophobicContact CG1-CD2 3.61Å; L249-I251 HydrophobicContact CB-CD1 4.28Å; L249-I251 HydrophobicContact CB-CG1 4.11Å; L249-I271 HydrophobicContact CD1-CG2 4.17Å; L249-I290 VanDerWaalsContact O-CA 3.27Å; L249-I290 WeakPolarHBondContact O-CA 3.48Å; L249-S291 PolarHBondContact N-O 3.01Å; L249-S291 PolarHBondContact O-N 3.47Å; L249-I293 HydrophobicContact CB-CG2 4.45Å; L249-I293 HydrophobicContact CD1-CG2 3.31Å; L249-I293 HydrophobicContact CD2-CD1 4.03Å; L249-I293 HydrophobicContact CG-CB 4.46Å; L249-I293 HydrophobicContact CG-CD1 3.94Å; L249-I293 HydrophobicContact CG-CG1 4.23Å; L249-I293 HydrophobicContact CG-CG2 3.48Å; L249-I293 VanDerWaalsContact CG-CG2 3.48Å; L249-Y299 HydrophobicContact CD1-CD1 4.47Å; L249-Y299 HydrophobicContact CD1-CG 4.29Å; L249-V326 HydrophobicContact CD2-CG2 3.6Å
250Y95.3Very high93.3Very high82 Ų8243.5 Ų43.532%0.32223%0.226SC..EExtended strand (participates in β ladder)trans-98.5103.9170.2-65.9-99000107.9V242 E243 E245 I290V242-Y250 WeakPolarHBondContact CA-O 3.3Å; E243-Y250 PolarHBondContact N-O 2.83Å; E243-Y250 PolarHBondContact O-N 3.31Å; E245-Y250 HydrophobicContact CB-CD2 4.18Å; E245-Y250 HydrophobicContact CB-CE2 3.74Å; Y250-I290 HydrophobicContact CD1-CD1 3.84Å; Y250-I290 HydrophobicContact CD1-CG1 3.82Å; Y250-I290 HydrophobicContact CE1-CD1 3.63Å; Y250-I290 HydrophobicContact CE1-CG1 4.06Å; Y250-I290 HydrophobicContact CE1-CG2 4.41Å
251I96.5Very high93.1Very high2 Ų245 Ų451%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-107.5126-175-52.2169.2000107.7V242 L249 W253 L269 I271 K288 F289 I301V242-I251 HydrophobicContact CG1-CG1 4.21Å; V242-I251 HydrophobicContact CG2-CG1 4.38Å; V242-I251 HydrophobicContact CG2-CG2 4.28Å; L249-I251 HydrophobicContact CB-CD1 4.28Å; L249-I251 HydrophobicContact CB-CG1 4.11Å; I251-W253 HydrophobicContact CB-CZ3 4.33Å; I251-W253 HydrophobicContact CG2-CE3 3.86Å; I251-W253 HydrophobicContact CG2-CZ3 3.71Å; I251-L269 HydrophobicContact CD1-CD1 4.25Å; I251-L269 HydrophobicContact CD1-CD2 4.11Å; I251-L269 HydrophobicContact CG2-CD1 4.2Å; I251-I271 HydrophobicContact CD1-CD1 3.61Å; I251-I271 HydrophobicContact CD1-CG1 3.95Å; I251-K288 CarbonylContact O-C 3.51Å; I251-K288 VanDerWaalsContact O-CA 3.29Å; I251-K288 WeakPolarHBondContact O-CA 2.98Å; I251-F289 PolarHBondContact N-O 3.33Å; I251-F289 PolarHBondContact O-N 2.02Å; I251-I301 HydrophobicContact CD1-CG1 4.18Å; I251-I301 HydrophobicContact CD1-CG2 4.12Å; I251-I301 HydrophobicContact CG2-CG2 3.98Å
252Q97.2Very high93Very high70 Ų7046.4 Ų46.433%0.32725%0.245SC..EExtended strand (participates in β ladder)trans-135.9152.4175.563.2-177.1-27.100110.7V240 T241 N287 K288V240-Q252 CarbonylContact C-O 3.58Å; V240-Q252 WeakPolarHBondContact CA-O 3.43Å; T241-Q252 PolarHBondContact N-O 2.94Å; T241-Q252 PolarHBondContact O-N 3.17Å; T241-Q252 WeakPolarHBondContact OG1-CG 2.99Å; T241-Q252 PolarHBondContact OG1-NE2 2.98Å; Q252-N287 WeakPolarHBondContact CA-O 3.49Å; Q252-K288 HydrophobicContact CB-CG 4.01Å
253W97.6Very high93Very high7 Ų752.3 Ų52.33%0.02727%0.271CS..EExtended strand (participates in β ladder)trans-146.2158.3176.354.390.5000111.6P237 V240 I251 Y267 L269 L284 T286 N287 F289 V303P237-W253 HydrophobicContact CB-CB 4.08Å; P237-W253 HydrophobicContact CB-CG 4.11Å; V240-W253 HydrophobicContact CB-CB 4.47Å; V240-W253 HydrophobicContact CG2-CB 4Å; I251-W253 HydrophobicContact CB-CZ3 4.33Å; I251-W253 HydrophobicContact CG2-CE3 3.86Å; I251-W253 HydrophobicContact CG2-CZ3 3.71Å; W253-Y267 AromaticContact CD1-CD1 3.89Å; W253-Y267 AromaticContact CD1-CE1 3.72Å; W253-Y267 AromaticContact CE2-CG 3.95Å; W253-Y267 HydrophobicContact CZ2-CD2 4.26Å; W253-Y267 HydrophobicContact CZ2-CG 4.06Å; W253-Y267 AromaticContact NE1-CD1 3.22Å; W253-Y267 AromaticContact NE1-CD2 3.57Å; W253-Y267 AromaticContact NE1-CE1 3.38Å; W253-Y267 AromaticContact NE1-CE2 3.74Å; W253-Y267 AromaticContact NE1-CG 3.32Å; W253-Y267 VanDerWaalsContact NE1-CG 3.32Å; W253-Y267 AromaticContact NE1-CZ 3.65Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; W253-L284 HydrophobicContact CH2-CD1 3.59Å; W253-L284 HydrophobicContact CZ2-CD1 4.09Å; W253-T286 VanDerWaalsContact CZ2-O 3.29Å; W253-T286 WeakPolarHBondContact CZ2-O 3.43Å; W253-N287 PolarHBondContact N-O 3.06Å; W253-N287 WeakPolarHBondContact O-CB 3.39Å; W253-N287 PolarHBondContact O-ND2 2.85Å; W253-F289 HydrophobicContact CH2-CB 4.21Å; W253-F289 HydrophobicContact CZ3-CB 4.35Å; W253-V303 HydrophobicContact CD2-CG1 3.95Å; W253-V303 HydrophobicContact CD2-CG2 4.19Å; W253-V303 HydrophobicContact CE3-CG1 4.35Å; W253-V303 HydrophobicContact CE3-CG2 3.92Å; W253-V303 HydrophobicContact CG-CG1 4.32Å; W253-V303 HydrophobicContact CZ2-CG1 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.36Å
254G96.4Very high93.1Very high24 Ų2447 Ų4725%0.24725%0.247CC..EExtended strand (participates in β ladder)trans-85.7160.6170.700000112.7M238M238-G254 PolarHBondContact N-O 3.33Å; M238-G254 WeakPolarHBondContact O-CA 3.15Å; M238-G254 PolarHBondContact O-N 3.41Å
255K94.8Very high93.3Very high45 Ų4543.2 Ų43.220%0.19623%0.227CC..PPolyproline II helixtrans-58.2140.9172.8-169-173.285.771.70109.9S258 F260 V262 F265K255-S258 PolarHBondContact NZ-O 3Å; K255-F260 WeakPolarHBondContact CD-O 3.38Å; K255-F260 WeakPolarHBondContact CE-O 3.05Å; K255-F260 PolarHBondContact NZ-O 2.87Å; K255-V262 HydrophobicContact CB-CG2 4.4Å; K255-V262 HydrophobicContact CD-CB 4.4Å; K255-V262 HydrophobicContact CD-CG2 3.87Å; K255-V262 HydrophobicContact CG-CG2 4.47Å; K255-F265 HydrophobicContact CD-CD2 4.11Å; K255-F265 HydrophobicContact CD-CE2 3.82Å; K255-F265 HydrophobicContact CG-CD2 3.76Å; K255-F265 HydrophobicContact CG-CE2 3.73Å
256P95.4Very high93.6Very high1 Ų140.8 Ų40.81%0.00621%0.214CC..PPolyproline II helixtrans-61.4152.9171.628.5-38.1000111.8V234 N235 S258 F265 A305V234-P256 HydrophobicContact CG1-CG 4.46Å; N235-P256 HydrophobicContact CB-CB 4.33Å; N235-P256 WeakPolarHBondContact O-CB 3.46Å; P256-S258 PolarHBondContact O-N 2.92Å; P256-F265 HydrophobicContact CG-CD1 3.51Å; P256-F265 HydrophobicContact CG-CD2 4.29Å; P256-F265 HydrophobicContact CG-CE1 3.33Å; P256-F265 HydrophobicContact CG-CE2 4.14Å; P256-F265 HydrophobicContact CG-CG 3.99Å; P256-F265 HydrophobicContact CG-CZ 3.67Å; P256-A305 HydrophobicContact CB-CB 4.44Å; P256-A305 HydrophobicContact CG-CB 3.9Å
257L93.8Very high94.1Very high44 Ų4435 Ų3523%0.2318%0.183CC..SBendtrans-62.3107.2174.7-173.574.4000109.5K135 Y144 N235 M238K135-L257 HydrophobicContact CB-CD1 4.33Å; K135-L257 HydrophobicContact CB-CD2 4.28Å; Y144-L257 HydrophobicContact CD1-CD1 4.24Å; Y144-L257 HydrophobicContact CD1-CG 4.5Å; Y144-L257 HydrophobicContact CE1-CD1 3.85Å; Y144-L257 HydrophobicContact CE1-CG 4.42Å; N235-L257 HydrophobicContact CB-CB 4.35Å; N235-L257 PolarHBondContact ND2-O 2.91Å; M238-L257 HydrophobicContact SD-CB 4.08Å
258S92.7Very high94.6Very high6 Ų634 Ų344%0.04218%0.176CC..SBendtrans-170.5153.3-173177.30000110.4Y144 K255 P256 F260Y144-S258 WeakPolarHBondContact CE1-O 3.27Å; Y144-S258 PolarHBondContact OH-O 2Å; K255-S258 PolarHBondContact NZ-O 3Å; P256-S258 PolarHBondContact O-N 2.92Å; S258-F260 VanDerWaalsContact C-N 3.28Å; S258-F260 PolarHBondContact O-N 2.05Å; S258-F260 WeakPolarHBondContact OG-CD2 3.43Å; S258-F260 PolarHBondContact OG-N 2.84Å
259A91.1Very high94.9Very high24 Ų2434 Ų3420%0.19818%0.176CC..SBendtrans-71.3-19.5172.900000113.8Y144 S200 K201Y144-A259 HydrophobicContact CD2-CB 3.74Å; Y144-A259 HydrophobicContact CE2-CB 4.34Å; Y144-A259 HydrophobicContact CG-CB 4.24Å; S200-A259 WeakPolarHBondContact OG-CB 2.85Å; K201-A259 HydrophobicContact CD-CB 4.48Å; K201-A259 WeakPolarHBondContact CE-O 3.3Å; K201-A259 HydrophobicContact CG-CB 4.34Å; K201-A259 PolarHBondContact NZ-O 2.85Å
260F92.2Very high95.1Very high11 Ų1136.9 Ų36.95%0.04819%0.188CC..SBendtrans-67.4142.9179.6-73.7-81.9000112K201 K255 S258 C264 F265 V307 C311 R312K201-F260 HydrophobicContact CB-CZ 4.45Å; K201-F260 HydrophobicContact CG-CD1 4.49Å; K201-F260 HydrophobicContact CG-CE1 4.12Å; K201-F260 HydrophobicContact CG-CE2 4.32Å; K201-F260 HydrophobicContact CG-CZ 4.01Å; K255-F260 WeakPolarHBondContact CD-O 3.38Å; K255-F260 WeakPolarHBondContact CE-O 3.05Å; K255-F260 PolarHBondContact NZ-O 2.87Å; S258-F260 VanDerWaalsContact C-N 3.28Å; S258-F260 PolarHBondContact O-N 2.05Å; S258-F260 WeakPolarHBondContact OG-CD2 3.43Å; S258-F260 PolarHBondContact OG-N 2.84Å; F260-C264 HydrophobicContact CB-CB 3.94Å; F260-C264 HydrophobicContact CD1-CB 4.2Å; F260-C264 HydrophobicContact CG-CB 4.43Å; F260-F265 HydrophobicContact CB-CE2 3.7Å; F260-F265 HydrophobicContact CB-CZ 3.75Å; F260-V307 HydrophobicContact CD1-CG1 4.43Å; F260-V307 HydrophobicContact CD2-CG2 4.16Å; F260-V307 HydrophobicContact CE1-CG1 4.4Å; F260-V307 HydrophobicContact CE2-CG2 4.36Å; F260-C311 HydrophobicContact CD1-CB 4.18Å; F260-C311 HydrophobicContact CE1-CB 4.3Å; F260-R312 HydrophobicContact CE1-CB 4.47Å; F260-R312 HydrophobicContact CZ-CB 4.39Å
261P92.3Very high95.1Very high52 Ų5233.2 Ų33.234%0.33817%0.174SC..  trans-70169176.230.8-36.2000112.3H263 C264 F265P261-H263 VanDerWaalsContact C-N 3.35Å; P261-H263 WeakPolarHBondContact CG-CE1 3.35Å; P261-H263 PolarHBondContact O-N 3.01Å; P261-C264 VanDerWaalsContact CD-SG 3.55Å; P261-C264 HydrophobicContact CG-CB 4.42Å; P261-C264 WeakPolarHBondContact CG-SG 3.48Å; P261-C264 WeakPolarHBondContact O-CB 3.43Å; P261-C264 PolarHBondContact O-N 3.34Å; P261-C264 VanDerWaalsContact O-N 3.13Å; P261-F265 WeakPolarHBondContact O-CD2 3.33Å; P261-F265 WeakPolarHBondContact O-CE2 3.48Å
262V93.5Very high95.1Very high87 Ų8737.2 Ų37.253%0.52719%0.19SC..G310 helixtrans-57.5-43-173.7-179.60000112.6K255 C264 F265K255-V262 HydrophobicContact CB-CG2 4.4Å; K255-V262 HydrophobicContact CD-CB 4.4Å; K255-V262 HydrophobicContact CD-CG2 3.87Å; K255-V262 HydrophobicContact CG-CG2 4.47Å; V262-C264 PolarHBondContact O-N 3.2Å; V262-C264 VanDerWaalsContact O-N 3.11Å; V262-F265 PolarHBondContact O-N 2.98Å
263H92.7Very high94.8Very high148 Ų14834 Ų3469%0.68518%0.175SC*.G310 helixtrans-68.2-8.9-177.964.3-100000114P261 F265P261-H263 VanDerWaalsContact C-N 3.35Å; P261-H263 WeakPolarHBondContact CG-CE1 3.35Å; P261-H263 PolarHBondContact O-N 3.01Å; H263-F265 VanDerWaalsContact C-N 3.3Å
264C94.6Very high94.4Very high4 Ų436.6 Ų36.63%0.02719%0.192CC..G310 helixtrans-85.92.6177.9-70.60000114F260 P261 V262 V307 S308 C311F260-C264 HydrophobicContact CB-CB 3.94Å; F260-C264 HydrophobicContact CD1-CB 4.2Å; F260-C264 HydrophobicContact CG-CB 4.43Å; P261-C264 VanDerWaalsContact CD-SG 3.55Å; P261-C264 HydrophobicContact CG-CB 4.42Å; P261-C264 WeakPolarHBondContact CG-SG 3.48Å; P261-C264 WeakPolarHBondContact O-CB 3.43Å; P261-C264 PolarHBondContact O-N 3.34Å; P261-C264 VanDerWaalsContact O-N 3.13Å; V262-C264 PolarHBondContact O-N 3.2Å; V262-C264 VanDerWaalsContact O-N 3.11Å; C264-V307 CarbonylContact O-C 3.56Å; C264-V307 WeakPolarHBondContact O-CA 3.36Å; C264-S308 WeakPolarHBondContact O-CB 3.2Å; C264-S308 PolarHBondContact O-N 2.73Å; C264-C311 WeakPolarHBondContact CA-SG 3.49Å; C264-C311 HydrophobicContact CB-CB 3.59Å; C264-C311 WeakPolarHBondContact CB-SG 3.47Å; C264-C311 WeakPolarHBondContact SG-CB 2.92Å; C264-C311 CovalentContact SG-SG 2.02Å; C264-C311 PolarHBondContact SG-SG 3.17Å
265F95.4Very high93.9Very high3 Ų341.5 Ų41.51%0.01321%0.206CC..EExtended strand (participates in β ladder)trans-111.1139.7-177-69-80.5000111.9V234 K255 P256 F260 P261 V262 H263 Y267 A305 A306 V307V234-F265 HydrophobicContact CG1-CE1 4.02Å; K255-F265 HydrophobicContact CD-CD2 4.11Å; K255-F265 HydrophobicContact CD-CE2 3.82Å; K255-F265 HydrophobicContact CG-CD2 3.76Å; K255-F265 HydrophobicContact CG-CE2 3.73Å; P256-F265 HydrophobicContact CG-CD1 3.51Å; P256-F265 HydrophobicContact CG-CD2 4.29Å; P256-F265 HydrophobicContact CG-CE1 3.33Å; P256-F265 HydrophobicContact CG-CE2 4.14Å; P256-F265 HydrophobicContact CG-CG 3.99Å; P256-F265 HydrophobicContact CG-CZ 3.67Å; F260-F265 HydrophobicContact CB-CE2 3.7Å; F260-F265 HydrophobicContact CB-CZ 3.75Å; P261-F265 WeakPolarHBondContact O-CD2 3.33Å; P261-F265 WeakPolarHBondContact O-CE2 3.48Å; V262-F265 PolarHBondContact O-N 2.98Å; H263-F265 VanDerWaalsContact C-N 3.3Å; F265-Y267 HydrophobicContact CB-CE1 4.14Å; F265-Y267 HydrophobicContact CB-CE2 3.97Å; F265-Y267 WeakPolarHBondContact CB-OH 3.42Å; F265-A305 HydrophobicContact CD1-CB 4.17Å; F265-A306 WeakPolarHBondContact CA-O 3.38Å; F265-V307 HydrophobicContact CE1-CG2 4.02Å
266K95.8Very high93.5Very high59 Ų5944.4 Ų44.426%0.25722%0.224SC..EExtended strand (participates in β ladder)trans-113.4149.1161.361.2-174.7176.5-173.10108.5L284 A305 A306 W317K266-L284 CarbonylContact C-O 3.59Å; K266-L284 WeakPolarHBondContact CA-O 3.23Å; K266-A305 WeakPolarHBondContact O-CA 3.4Å; K266-A306 HydrophobicContact CG-CB 4.11Å; K266-A306 PolarHBondContact N-O 3.26Å; K266-A306 PolarHBondContact O-N 3.38Å; K266-W317 HydrophobicContact CD-CH2 4.48Å; K266-W317 HydrophobicContact CG-CH2 4.1Å
267Y97.3Very high93.1Very high2 Ų246.1 Ų46.11%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-122.1150.3-172.9-56.9-79.8000110.4P237 W253 F265 N283 L284 T286 V303 R304 A305P237-Y267 HydrophobicContact CG-CD1 3.92Å; P237-Y267 HydrophobicContact CG-CE1 4.04Å; W253-Y267 AromaticContact CD1-CD1 3.89Å; W253-Y267 AromaticContact CD1-CE1 3.72Å; W253-Y267 AromaticContact CE2-CG 3.95Å; W253-Y267 HydrophobicContact CZ2-CD2 4.26Å; W253-Y267 HydrophobicContact CZ2-CG 4.06Å; W253-Y267 AromaticContact NE1-CD1 3.22Å; W253-Y267 AromaticContact NE1-CD2 3.57Å; W253-Y267 AromaticContact NE1-CE1 3.38Å; W253-Y267 AromaticContact NE1-CE2 3.74Å; W253-Y267 AromaticContact NE1-CG 3.32Å; W253-Y267 VanDerWaalsContact NE1-CG 3.32Å; W253-Y267 AromaticContact NE1-CZ 3.65Å; F265-Y267 HydrophobicContact CB-CE1 4.14Å; F265-Y267 HydrophobicContact CB-CE2 3.97Å; F265-Y267 WeakPolarHBondContact CB-OH 3.42Å; Y267-N283 WeakPolarHBondContact O-CA 3.39Å; Y267-L284 PolarHBondContact N-O 3.22Å; Y267-L284 PolarHBondContact O-N 2.7Å; Y267-T286 WeakPolarHBondContact CD2-O 3.29Å; Y267-V303 HydrophobicContact CD1-CG1 4.36Å; Y267-R304 CarbonylContact C-O 3.59Å; Y267-R304 VanDerWaalsContact CA-O 3.29Å; Y267-R304 WeakPolarHBondContact CA-O 3.35Å; Y267-A305 HydrophobicContact CD1-CB 3.86Å; Y267-A305 HydrophobicContact CE1-CB 3.87Å
268K97.8Very high93Very high41 Ų4151 Ų5118%0.17826%0.258CS..EExtended strand (participates in β ladder)trans-121122.6165.5-167.4174.5-72.9176.70107.8E282 N283 V303 R304 W317 W320K268-E282 CarbonylContact C-O 3.57Å; K268-E282 VanDerWaalsContact CA-O 3.29Å; K268-E282 WeakPolarHBondContact CA-O 3.26Å; K268-N283 WeakPolarHBondContact CE-OD1 3.48Å; K268-V303 WeakPolarHBondContact O-CA 3.2Å; K268-R304 HydrophobicContact CB-CG 3.95Å; K268-R304 PolarHBondContact N-O 2.99Å; K268-R304 PolarHBondContact O-N 3.17Å; K268-W317 HydrophobicContact CB-CE3 4.22Å; K268-W317 HydrophobicContact CB-CH2 3.77Å; K268-W317 HydrophobicContact CB-CZ2 4.45Å; K268-W317 HydrophobicContact CB-CZ3 3.65Å; K268-W320 HydrophobicContact CB-CH2 4.29Å; K268-W320 HydrophobicContact CD-CH2 4.14Å; K268-W320 HydrophobicContact CD-CZ2 4.41Å; K268-W320 HydrophobicContact CG-CH2 3.93Å; K268-W320 VanDerWaalsContact O-CZ3 3.27Å; K268-W320 WeakPolarHBondContact O-CZ3 3.49Å
269L97.9Very high93Very high1 Ų152.9 Ų52.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-103.7136.4179.317167.5000108.6I251 W253 I271 M281 E282 L284 F289 I301 V303I251-L269 HydrophobicContact CD1-CD1 4.25Å; I251-L269 HydrophobicContact CD1-CD2 4.11Å; I251-L269 HydrophobicContact CG2-CD1 4.2Å; W253-L269 HydrophobicContact CZ3-CD1 4.47Å; L269-I271 HydrophobicContact CD1-CG1 4.31Å; L269-I271 HydrophobicContact CD2-CD1 4.12Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 4.12Å; L269-M281 CarbonylContact O-C 3.54Å; L269-M281 VanDerWaalsContact O-CA 3.29Å; L269-M281 WeakPolarHBondContact O-CA 3.41Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.3Å; L269-E282 PolarHBondContact O-N 2.9Å; L269-L284 HydrophobicContact CB-CD1 4.06Å; L269-L284 HydrophobicContact CD2-CD1 4.08Å; L269-F289 HydrophobicContact CD2-CB 3.7Å; L269-F289 HydrophobicContact CD2-CD1 3.35Å; L269-F289 HydrophobicContact CD2-CE1 4.09Å; L269-F289 HydrophobicContact CD2-CG 3.62Å; L269-I301 HydrophobicContact CD1-CG2 3.75Å; L269-V303 HydrophobicContact CD1-CG2 3.76Å
270K97.4Very high93.1Very high61 Ų6153.4 Ų53.427%0.26527%0.27SS..EExtended strand (participates in β ladder)trans-122.3123.3173.1-179.8-176.6177.6-171.70108.7Q280 M281 I301 Q302 W320K270-Q280 WeakPolarHBondContact CA-O 3.27Å; K270-M281 HydrophobicContact CB-CG 4.47Å; K270-M281 HydrophobicContact CG-CG 4.42Å; K270-I301 WeakPolarHBondContact O-CA 2.86Å; K270-Q302 PolarHBondContact N-O 2.9Å; K270-Q302 PolarHBondContact O-N 2.92Å; K270-W320 HydrophobicContact CB-CE3 4.4Å; K270-W320 HydrophobicContact CB-CH2 3.65Å; K270-W320 HydrophobicContact CB-CZ2 4.48Å; K270-W320 HydrophobicContact CB-CZ3 3.61Å
271I95.4Very high93.3Very high5 Ų558.5 Ų58.53%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-116.6114172.9-54.8171.9000107L249 I251 L269 S279 Q280 F289 Y299 I301L249-I271 HydrophobicContact CD1-CG2 4.17Å; I251-I271 HydrophobicContact CD1-CD1 3.61Å; I251-I271 HydrophobicContact CD1-CG1 3.95Å; L269-I271 HydrophobicContact CD1-CG1 4.31Å; L269-I271 HydrophobicContact CD2-CD1 4.12Å; L269-I271 HydrophobicContact CD2-CG1 4.27Å; L269-I271 HydrophobicContact CG-CG1 4.12Å; I271-S279 WeakPolarHBondContact O-CA 3.21Å; I271-Q280 HydrophobicContact CB-CB 4.33Å; I271-Q280 PolarHBondContact N-O 2.7Å; I271-Q280 PolarHBondContact O-N 3.43Å; I271-F289 HydrophobicContact CD1-CD1 4.27Å; I271-F289 HydrophobicContact CD1-CE1 4.15Å; I271-Y299 HydrophobicContact CG2-CD1 3.8Å; I271-I301 HydrophobicContact CG1-CG1 4.48Å
272Y94.6Very high93.5Very high86 Ų8658.9 Ų58.934%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-112.5119.4-178.1176.3-104.4000110.6T274 G277 Y299 S300Y272-T274 HydrophobicContact CD1-CG2 3.96Å; Y272-T274 HydrophobicContact CE1-CG2 3.98Å; Y272-G277 WeakPolarHBondContact CE2-O 3.49Å; Y272-Y299 CarbonylContact O-C 3.49Å; Y272-Y299 VanDerWaalsContact O-CA 3.27Å; Y272-Y299 WeakPolarHBondContact O-CA 3.06Å; Y272-S300 PolarHBondContact N-O 3.02Å; Y272-S300 PolarHBondContact O-N 2.99Å
273N91.9Very high93.7Very high4 Ų460.1 Ų60.12%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-83.7114.2172.9-178.5-33.9000109.3K275 N276 G277 Y278 S297 Y299N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 PolarHBondContact O-N 2.87Å; N273-K275 WeakPolarHBondContact OD1-CA 3.36Å; N273-K275 VanDerWaalsContact OD1-CB 3.31Å; N273-K275 WeakPolarHBondContact OD1-CB 3.46Å; N273-K275 PolarHBondContact OD1-N 3.02Å; N273-N276 WeakPolarHBondContact CB-OD1 3.32Å; N273-N276 PolarHBondContact ND2-OD1 3.42Å; N273-N276 PolarHBondContact OD1-N 3.3Å; N273-N276 PolarHBondContact OD1-OD1 2.79Å; N273-G277 VanDerWaalsContact O-CA 3.27Å; N273-G277 WeakPolarHBondContact O-CA 3.16Å; N273-G277 PolarHBondContact O-N 2.94Å; N273-Y278 PolarHBondContact N-O 3.01Å; N273-S297 WeakPolarHBondContact ND2-CB 3.24Å; N273-S297 PolarHBondContact ND2-OG 2.99Å; N273-S297 VanDerWaalsContact ND2-OG 3.08Å; N273-S297 VanDerWaalsContact OD1-CB 3.3Å; N273-S297 WeakPolarHBondContact OD1-CB 3.41Å; N273-S297 PolarHBondContact OD1-OG 2.73Å; N273-Y299 HydrophobicContact CB-CD1 4.01Å; N273-Y299 HydrophobicContact CB-CE1 3.75Å; N273-Y299 PolarHBondContact ND2-OH 2.99Å
274T88.9Confident93.8Very high61 Ų6154.3 Ų54.337%0.37427%0.27SS..THydrogen-bonded Turntrans-71.7-16.5-17660.10000114.1Y272 T298Y272-T274 HydrophobicContact CD1-CG2 3.96Å; Y272-T274 HydrophobicContact CE1-CG2 3.98Å; T274-T298 WeakPolarHBondContact CB-O 3.49Å; T274-T298 PolarHBondContact N-O 2.82Å; T274-T298 WeakPolarHBondContact OG1-CB 3.28Å; T274-T298 PolarHBondContact OG1-O 2.86Å
275K85.7Confident93.7Very high127 Ų12759.6 Ų59.655%0.55230%0.302SS*.THydrogen-bonded Turntrans-84.5-47-176.9-177.7-171.6174.7-171.30112.3N273 S297N273-K275 VanDerWaalsContact C-N 3.26Å; N273-K275 PolarHBondContact O-N 2.87Å; N273-K275 WeakPolarHBondContact OD1-CA 3.36Å; N273-K275 VanDerWaalsContact OD1-CB 3.31Å; N273-K275 WeakPolarHBondContact OD1-CB 3.46Å; N273-K275 PolarHBondContact OD1-N 3.02Å; K275-S297 WeakPolarHBondContact CD-OG 3.47Å
276N86.4Confident93.6Very high105 Ų10563.1 Ų63.156%0.56132%0.324SS*.THydrogen-bonded Turntrans-108.3-2.8-176.966.33.3000113.3N273 Y278N273-N276 WeakPolarHBondContact CB-OD1 3.32Å; N273-N276 PolarHBondContact ND2-OD1 3.42Å; N273-N276 PolarHBondContact OD1-N 3.3Å; N273-N276 PolarHBondContact OD1-OD1 2.79Å; N276-Y278 PolarHBondContact O-N 2.83Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 3.27Å
277G87.9Confident93.5Very high37 Ų3763.5 Ų63.538%0.38133%0.328SS..  trans74.26.7-179.300000114.3Y272 N273 S279Y272-G277 WeakPolarHBondContact CE2-O 3.49Å; N273-G277 VanDerWaalsContact O-CA 3.27Å; N273-G277 WeakPolarHBondContact O-CA 3.16Å; N273-G277 PolarHBondContact O-N 2.94Å; G277-S279 PolarHBondContact O-N 3.19Å
278Y90.6Very high93.5Very high146 Ų14669.4 Ų69.457%0.57335%0.354SS*.  trans-67.6130.5-179.8-179.7-103.3000110.9N273 N276 Q280N273-Y278 PolarHBondContact N-O 3.01Å; N276-Y278 PolarHBondContact O-N 2.83Å; N276-Y278 WeakPolarHBondContact OD1-CB 3.31Å; N276-Y278 PolarHBondContact OD1-N 3.27Å; Y278-Q280 HydrophobicContact CE1-CB 4.01Å
279S93.3Very high93.4Very high46 Ų4669.3 Ų69.332%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-121.4113.9179-173.90000110.3I271 G277I271-S279 WeakPolarHBondContact O-CA 3.21Å; G277-S279 PolarHBondContact O-N 3.19Å
280Q93.8Very high93.2Very high36 Ų3674 Ų7417%0.16838%0.378CS..EExtended strand (participates in β ladder)trans-91.7135.4169.9-175.4-178.6-3.400109.6K270 I271 Y278 E282 S291K270-Q280 WeakPolarHBondContact CA-O 3.27Å; I271-Q280 HydrophobicContact CB-CB 4.33Å; I271-Q280 PolarHBondContact N-O 2.7Å; I271-Q280 PolarHBondContact O-N 3.43Å; Y278-Q280 HydrophobicContact CE1-CB 4.01Å; Q280-E282 HydrophobicContact CG-CG 4.25Å; Q280-E282 PolarHBondContact NE2-OE1 2.72Å; Q280-S291 PolarHBondContact OE1-OG 3.38Å; Q280-S291 VanDerWaalsContact OE1-OG 3.08Å
281M96.6Very high93Very high117 Ų11771.7 Ų71.758%0.57637%0.37SS*.EExtended strand (participates in β ladder)trans-127.8128.7174.7-79.5-170.3-87.100110.5L269 K270L269-M281 CarbonylContact O-C 3.54Å; L269-M281 VanDerWaalsContact O-CA 3.29Å; L269-M281 WeakPolarHBondContact O-CA 3.41Å; K270-M281 HydrophobicContact CB-CG 4.47Å; K270-M281 HydrophobicContact CG-CG 4.42Å
282E96.9Very high92.8Very high60 Ų6079.1 Ų79.128%0.2840%0.402SS..EExtended strand (participates in β ladder)trans-125.8139.3-176.9-62.2-64.3162.200110.8K268 L269 Q280 L284 F289K268-E282 CarbonylContact C-O 3.57Å; K268-E282 VanDerWaalsContact CA-O 3.29Å; K268-E282 WeakPolarHBondContact CA-O 3.26Å; L269-E282 HydrophobicContact CB-CB 4.3Å; L269-E282 PolarHBondContact N-O 3.3Å; L269-E282 PolarHBondContact O-N 2.9Å; Q280-E282 HydrophobicContact CG-CG 4.25Å; Q280-E282 PolarHBondContact NE2-OE1 2.72Å; E282-L284 HydrophobicContact CB-CD1 4.28Å; E282-L284 HydrophobicContact CB-CD2 4.32Å; E282-L284 HydrophobicContact CB-CG 4.13Å; E282-F289 HydrophobicContact CG-CE1 4.07Å; E282-F289 HydrophobicContact CG-CE2 4.03Å; E282-F289 HydrophobicContact CG-CZ 3.63Å
283N96.4Very high92.4Very high114 Ų11476 Ų7661%0.6139%0.391SS*.EExtended strand (participates in β ladder)trans-103.1123.1170.6-64.1-64.8000108.9Y267 K268Y267-N283 WeakPolarHBondContact O-CA 3.39Å; K268-N283 WeakPolarHBondContact CE-OD1 3.48Å
284L95.1Very high91.8Very high25 Ų2578.5 Ų78.513%0.13140%0.404CS..EExtended strand (participates in β ladder)trans-132.4149.5-168.4-58.4170.2000110.9W253 K266 Y267 L269 E282 F289W253-L284 HydrophobicContact CH2-CD1 3.59Å; W253-L284 HydrophobicContact CZ2-CD1 4.09Å; K266-L284 CarbonylContact C-O 3.59Å; K266-L284 WeakPolarHBondContact CA-O 3.23Å; Y267-L284 PolarHBondContact N-O 3.22Å; Y267-L284 PolarHBondContact O-N 2.7Å; L269-L284 HydrophobicContact CB-CD1 4.06Å; L269-L284 HydrophobicContact CD2-CD1 4.08Å; E282-L284 HydrophobicContact CB-CD1 4.28Å; E282-L284 HydrophobicContact CB-CD2 4.32Å; E282-L284 HydrophobicContact CB-CG 4.13Å; L284-F289 HydrophobicContact CD1-CB 3.87Å; L284-F289 HydrophobicContact CD1-CD2 3.83Å; L284-F289 HydrophobicContact CD1-CG 4.02Å; L284-F289 HydrophobicContact CD2-CD2 3.81Å; L284-F289 HydrophobicContact CD2-CE2 4.18Å; L284-F289 HydrophobicContact CG-CD2 4.48Å
285V93.2Very high90.9Very high116 Ų11679.3 Ų79.370%0.70341%0.406SS*.SBendtrans-107.1-17168.5-65.10000111.9
286T93.3Very high90.4Very high77 Ų7777.1 Ų77.147%0.47240%0.403SS..SBendtrans-85.7163.4173.656.40000110.6W253 Y267 K288W253-T286 VanDerWaalsContact CZ2-O 3.29Å; W253-T286 WeakPolarHBondContact CZ2-O 3.43Å; Y267-T286 WeakPolarHBondContact CD2-O 3.29Å; T286-K288 PolarHBondContact OG1-O 3.38Å
287N94Very high90.2Very high66 Ų6672.2 Ų72.235%0.35338%0.377SS..SBendtrans-101.616.8179.168.4-45.1000113.5Q252 W253Q252-N287 WeakPolarHBondContact CA-O 3.49Å; W253-N287 PolarHBondContact N-O 3.06Å; W253-N287 WeakPolarHBondContact O-CB 3.39Å; W253-N287 PolarHBondContact O-ND2 2.85Å
288K95.4Very high90.3Very high127 Ų12772.2 Ų72.255%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-141.4143.5-178.5-61.9-171.9178.4-172.90110I251 Q252 T286I251-K288 CarbonylContact O-C 3.51Å; I251-K288 VanDerWaalsContact O-CA 3.29Å; I251-K288 WeakPolarHBondContact O-CA 2.98Å; Q252-K288 HydrophobicContact CB-CG 4.01Å; T286-K288 PolarHBondContact OG1-O 3.38Å
289F96.4Very high90.3Very high39 Ų3966 Ų6617%0.17135%0.345CS..EExtended strand (participates in β ladder)trans-147.7142.6176.2-171.1-104.9000110.8I251 W253 L269 I271 E282 L284I251-F289 PolarHBondContact N-O 3.33Å; I251-F289 PolarHBondContact O-N 2.02Å; W253-F289 HydrophobicContact CH2-CB 4.21Å; W253-F289 HydrophobicContact CZ3-CB 4.35Å; L269-F289 HydrophobicContact CD2-CB 3.7Å; L269-F289 HydrophobicContact CD2-CD1 3.35Å; L269-F289 HydrophobicContact CD2-CE1 4.09Å; L269-F289 HydrophobicContact CD2-CG 3.62Å; I271-F289 HydrophobicContact CD1-CD1 4.27Å; I271-F289 HydrophobicContact CD1-CE1 4.15Å; E282-F289 HydrophobicContact CG-CE1 4.07Å; E282-F289 HydrophobicContact CG-CE2 4.03Å; E282-F289 HydrophobicContact CG-CZ 3.63Å; L284-F289 HydrophobicContact CD1-CB 3.87Å; L284-F289 HydrophobicContact CD1-CD2 3.83Å; L284-F289 HydrophobicContact CD1-CG 4.02Å; L284-F289 HydrophobicContact CD2-CD2 3.81Å; L284-F289 HydrophobicContact CD2-CE2 4.18Å; L284-F289 HydrophobicContact CG-CD2 4.48Å
290I94.9Very high90.4Very high100 Ų10064.2 Ų64.251%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-118.1125.6175.9-57.6172000108.2L249 Y250L249-I290 VanDerWaalsContact O-CA 3.27Å; L249-I290 WeakPolarHBondContact O-CA 3.48Å; Y250-I290 HydrophobicContact CD1-CD1 3.84Å; Y250-I290 HydrophobicContact CD1-CG1 3.82Å; Y250-I290 HydrophobicContact CE1-CD1 3.63Å; Y250-I290 HydrophobicContact CE1-CG1 4.06Å; Y250-I290 HydrophobicContact CE1-CG2 4.41Å
291S92.8Very high90.5Very high12 Ų1262.5 Ų62.58%0.08433%0.325CS..EExtended strand (participates in β ladder)trans-124.2141.6175.4-161.30000111.3S248 L249 Q280S248-S291 CarbonylContact C-O 3.52Å; S248-S291 WeakPolarHBondContact CA-O 3.32Å; L249-S291 PolarHBondContact N-O 3.01Å; L249-S291 PolarHBondContact O-N 3.47Å; Q280-S291 PolarHBondContact OE1-OG 3.38Å; Q280-S291 VanDerWaalsContact OE1-OG 3.08Å
292K90.4Very high90.6Very high160 Ų16058.6 Ų58.670%0.69631%0.305SS*.EExtended strand (participates in β ladder)trans-79.9137.2172.5-70.4-65.6-174.7-175.20110S248S248-K292 WeakPolarHBondContact OG-CD 3.22Å; S248-K292 PolarHBondContact OG-NZ 3Å
293I85.8Confident90.6Very high21 Ų2155.7 Ų55.711%0.10829%0.292CS..  trans-128.5160.8-178.857.5160.6000113.1I244 N247 L249 Y299I244-I293 HydrophobicContact CD1-CD1 4.33Å; I244-I293 HydrophobicContact CG1-CD1 4.31Å; I244-I293 HydrophobicContact CG2-CD1 4.19Å; N247-I293 WeakPolarHBondContact O-CG1 3.39Å; N247-I293 PolarHBondContact O-N 3.24Å; L249-I293 HydrophobicContact CB-CG2 4.45Å; L249-I293 HydrophobicContact CD1-CG2 3.31Å; L249-I293 HydrophobicContact CD2-CD1 4.03Å; L249-I293 HydrophobicContact CG-CB 4.46Å; L249-I293 HydrophobicContact CG-CD1 3.94Å; L249-I293 HydrophobicContact CG-CG1 4.23Å; L249-I293 HydrophobicContact CG-CG2 3.48Å; L249-I293 VanDerWaalsContact CG-CG2 3.48Å; I293-Y299 HydrophobicContact CB-CE1 4.36Å; I293-Y299 HydrophobicContact CB-CE2 3.76Å; I293-Y299 HydrophobicContact CD1-CD2 4.41Å; I293-Y299 HydrophobicContact CD1-CE2 4.07Å; I293-Y299 HydrophobicContact CG2-CD1 4.3Å; I293-Y299 HydrophobicContact CG2-CD2 4.31Å; I293-Y299 HydrophobicContact CG2-CE1 3.78Å; I293-Y299 HydrophobicContact CG2-CE2 3.84Å
294D80.6Confident90.7Very high57 Ų5752.8 Ų52.831%0.30527%0.272SS..  trans-78.3149.7163.970.87.2000111.4V296 S297 Y299D294-V296 PolarHBondContact O-N 2.98Å; D294-S297 WeakPolarHBondContact OD1-CB 3.31Å; D294-S297 PolarHBondContact OD1-N 3.31Å; D294-S297 VanDerWaalsContact OD1-N 3.16Å; D294-S297 PolarHBondContact OD1-OG 3.47Å; D294-S297 PolarHBondContact OD2-OG 3.05Å; D294-Y299 PolarHBondContact N-OH 2.7Å; D294-Y299 VanDerWaalsContact N-OH 3.11Å; D294-Y299 PolarHBondContact OD1-OH 3.34Å
295D69.5Low90.8Very high77 Ų7751.6 Ų51.641%0.41227%0.266SS..THydrogen-bonded Turntrans-73.6-9.4-177.2-82.5-40.8000114.7N247N247-D295 PolarHBondContact ND2-OD1 2.89Å; N247-D295 PolarHBondContact ND2-OD2 2.82Å; N247-D295 PolarHBondContact OD1-OD1 2.64Å; N247-D295 PolarHBondContact OD1-OD2 2.84Å
296V74.7Confident90.9Very high82 Ų8246 Ų4650%0.49723%0.232SC..THydrogen-bonded Turntrans-115.8-7.3-160.7-161.90000112.3D294D294-V296 PolarHBondContact O-N 2.98Å
297S82.2Confident90.9Very high2 Ų242.5 Ų42.51%0.01421%0.211CC..  trans-102.6156.9-178.2-55.70000113N273 K275 D294N273-S297 WeakPolarHBondContact ND2-CB 3.24Å; N273-S297 PolarHBondContact ND2-OG 2.99Å; N273-S297 VanDerWaalsContact ND2-OG 3.08Å; N273-S297 VanDerWaalsContact OD1-CB 3.3Å; N273-S297 WeakPolarHBondContact OD1-CB 3.41Å; N273-S297 PolarHBondContact OD1-OG 2.73Å; K275-S297 WeakPolarHBondContact CD-OG 3.47Å; D294-S297 WeakPolarHBondContact OD1-CB 3.31Å; D294-S297 PolarHBondContact OD1-N 3.31Å; D294-S297 VanDerWaalsContact OD1-N 3.16Å; D294-S297 PolarHBondContact OD1-OG 3.47Å; D294-S297 PolarHBondContact OD2-OG 3.05Å
298T90.3Very high90.8Very high36 Ų3640.5 Ų40.522%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-97.4135.1166-59.10000108.6T274 Y325 V326T274-T298 WeakPolarHBondContact CB-O 3.49Å; T274-T298 PolarHBondContact N-O 2.82Å; T274-T298 WeakPolarHBondContact OG1-CB 3.28Å; T274-T298 PolarHBondContact OG1-O 2.86Å; T298-Y325 HydrophobicContact CG2-CD1 4.48Å; T298-V326 CarbonylContact C-O 3.55Å; T298-V326 WeakPolarHBondContact CA-O 3.43Å
299Y91.9Very high90.4Very high16 Ų1638.2 Ų38.26%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-115138.9-176.8-65.7-92.6000110.4L249 I271 Y272 N273 I293 D294 Y325 V326L249-Y299 HydrophobicContact CD1-CD1 4.47Å; L249-Y299 HydrophobicContact CD1-CG 4.29Å; I271-Y299 HydrophobicContact CG2-CD1 3.8Å; Y272-Y299 CarbonylContact O-C 3.49Å; Y272-Y299 VanDerWaalsContact O-CA 3.27Å; Y272-Y299 WeakPolarHBondContact O-CA 3.06Å; N273-Y299 HydrophobicContact CB-CD1 4.01Å; N273-Y299 HydrophobicContact CB-CE1 3.75Å; N273-Y299 PolarHBondContact ND2-OH 2.99Å; I293-Y299 HydrophobicContact CB-CE1 4.36Å; I293-Y299 HydrophobicContact CB-CE2 3.76Å; I293-Y299 HydrophobicContact CD1-CD2 4.41Å; I293-Y299 HydrophobicContact CD1-CE2 4.07Å; I293-Y299 HydrophobicContact CG2-CD1 4.3Å; I293-Y299 HydrophobicContact CG2-CD2 4.31Å; I293-Y299 HydrophobicContact CG2-CE1 3.78Å; I293-Y299 HydrophobicContact CG2-CE2 3.84Å; D294-Y299 PolarHBondContact N-OH 2.7Å; D294-Y299 VanDerWaalsContact N-OH 3.11Å; D294-Y299 PolarHBondContact OD1-OH 3.34Å; Y299-Y325 CarbonylContact O-C 3.56Å; Y299-Y325 VanDerWaalsContact O-CA 3.24Å; Y299-Y325 WeakPolarHBondContact O-CA 3.45Å; Y299-V326 PolarHBondContact N-O 3.19Å; Y299-V326 PolarHBondContact O-N 2.81Å
300S94.8Very high90Very high8 Ų841.7 Ų41.76%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-105.8121.1168.8171.70000109.2Y272 P323 I324Y272-S300 PolarHBondContact N-O 3.02Å; Y272-S300 PolarHBondContact O-N 2.99Å; S300-P323 WeakPolarHBondContact OG-CB 3.4Å; S300-I324 CarbonylContact C-O 3.5Å; S300-I324 WeakPolarHBondContact CA-O 3.34Å
301I96.1Very high89.8Confident0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-110.4130.8-178.9-61.887.1000109.5V242 I251 L269 K270 I271 P323 I324 V326V242-I301 HydrophobicContact CG1-CD1 4.24Å; V242-I301 HydrophobicContact CG2-CB 4.27Å; V242-I301 HydrophobicContact CG2-CD1 4.34Å; V242-I301 HydrophobicContact CG2-CG1 4.31Å; V242-I301 HydrophobicContact CG2-CG2 4.31Å; I251-I301 HydrophobicContact CD1-CG1 4.18Å; I251-I301 HydrophobicContact CD1-CG2 4.12Å; I251-I301 HydrophobicContact CG2-CG2 3.98Å; L269-I301 HydrophobicContact CD1-CG2 3.75Å; K270-I301 WeakPolarHBondContact O-CA 2.86Å; I271-I301 HydrophobicContact CG1-CG1 4.48Å; I301-P323 WeakPolarHBondContact O-CA 3.41Å; I301-I324 PolarHBondContact N-O 2.93Å; I301-I324 PolarHBondContact O-N 3.34Å; I301-V326 HydrophobicContact CD1-CG2 3.54Å
302Q97.6Very high89.7Confident35 Ų3538.3 Ų38.316%0.16421%0.211CC..EExtended strand (participates in β ladder)trans-136.9144.5174-63.5-178.6-80.100110.4K270 W320 S321 P323K270-Q302 PolarHBondContact N-O 2.9Å; K270-Q302 PolarHBondContact O-N 2.92Å; Q302-W320 HydrophobicContact CB-CB 4.42Å; Q302-W320 HydrophobicContact CB-CD2 4.36Å; Q302-W320 HydrophobicContact CB-CE3 3.69Å; Q302-W320 HydrophobicContact CB-CZ3 4.33Å; Q302-W320 WeakPolarHBondContact O-CZ3 3.45Å; Q302-S321 PolarHBondContact NE2-O 3.09Å; Q302-S321 VanDerWaalsContact NE2-O 3.11Å; Q302-P323 HydrophobicContact CG-CB 3.9Å
303V98.1Very high89.6Confident0 Ų036.4 Ų36.40%021%0.206CC..EExtended strand (participates in β ladder)trans-130.2140.8177.2-161.80000109.2P237 V240 W253 Y267 K268 L269 S321P237-V303 WeakPolarHBondContact CD-O 3.45Å; P237-V303 HydrophobicContact CG-CB 4.04Å; P237-V303 HydrophobicContact CG-CG1 3.83Å; V240-V303 HydrophobicContact CG1-CG2 4Å; V240-V303 HydrophobicContact CG2-CG2 4.25Å; W253-V303 HydrophobicContact CD2-CG1 3.95Å; W253-V303 HydrophobicContact CD2-CG2 4.19Å; W253-V303 HydrophobicContact CE3-CG1 4.35Å; W253-V303 HydrophobicContact CE3-CG2 3.92Å; W253-V303 HydrophobicContact CG-CG1 4.32Å; W253-V303 HydrophobicContact CZ2-CG1 4.2Å; W253-V303 HydrophobicContact CZ3-CG2 4.36Å; Y267-V303 HydrophobicContact CD1-CG1 4.36Å; K268-V303 WeakPolarHBondContact O-CA 3.2Å; L269-V303 HydrophobicContact CD1-CG2 3.76Å; V303-S321 PolarHBondContact N-OG 2.73Å; V303-S321 VanDerWaalsContact O-CB 3.31Å; V303-S321 WeakPolarHBondContact O-CB 3.3Å; V303-S321 PolarHBondContact O-N 3Å; V303-S321 PolarHBondContact O-OG 2.76Å
304R97.7Very high89.5Confident52 Ų5238.9 Ų38.920%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-129.9159.9167.861.4177.2176.4170.7-4.1111Y267 K268 W317 G318 E319 W320Y267-R304 CarbonylContact C-O 3.59Å; Y267-R304 VanDerWaalsContact CA-O 3.29Å; Y267-R304 WeakPolarHBondContact CA-O 3.35Å; K268-R304 HydrophobicContact CB-CG 3.95Å; K268-R304 PolarHBondContact N-O 2.99Å; K268-R304 PolarHBondContact O-N 3.17Å; R304-W317 HydrophobicContact CG-CE3 3.88Å; R304-W317 HydrophobicContact CG-CZ3 4.39Å; R304-G318 WeakPolarHBondContact CD-O 3.4Å; R304-E319 VanDerWaalsContact CB-O 3.26Å; R304-E319 WeakPolarHBondContact CB-O 3.31Å; R304-W320 HydrophobicContact CB-CD2 4.2Å; R304-W320 HydrophobicContact CB-CE3 4.03Å; R304-W320 HydrophobicContact CG-CD2 3.98Å; R304-W320 HydrophobicContact CG-CE3 3.82Å; R304-W320 HydrophobicContact CG-CH2 4.13Å; R304-W320 HydrophobicContact CG-CZ2 4.26Å; R304-W320 HydrophobicContact CG-CZ3 3.9Å
305A97Very high89.7Confident0 Ų037.3 Ų37.30%022%0.223CC..EExtended strand (participates in β ladder)trans-121156.2-178.400000111.9V234 P237 P256 F265 K266 Y267 G318V234-A305 HydrophobicContact CG1-CB 4.18Å; P237-A305 HydrophobicContact CG-CB 4.12Å; P256-A305 HydrophobicContact CB-CB 4.44Å; P256-A305 HydrophobicContact CG-CB 3.9Å; F265-A305 HydrophobicContact CD1-CB 4.17Å; K266-A305 WeakPolarHBondContact O-CA 3.4Å; Y267-A305 HydrophobicContact CD1-CB 3.86Å; Y267-A305 HydrophobicContact CE1-CB 3.87Å; A305-G318 PolarHBondContact O-N 2.82Å
306A95.6Very high90.5Very high0 Ų037.1 Ų37.10%023%0.228CC..EExtended strand (participates in β ladder)trans-140154.5165.100000109F265 K266 W317F265-A306 WeakPolarHBondContact CA-O 3.38Å; K266-A306 HydrophobicContact CG-CB 4.11Å; K266-A306 PolarHBondContact N-O 3.26Å; K266-A306 PolarHBondContact O-N 3.38Å; A306-W317 HydrophobicContact CB-CD2 3.86Å; A306-W317 HydrophobicContact CB-CE3 3.67Å; A306-W317 HydrophobicContact CB-CG 4.38Å; A306-W317 HydrophobicContact CB-CH2 4.46Å; A306-W317 HydrophobicContact CB-CZ3 3.98Å
307V94.1Very high91.4Very high3 Ų336.9 Ų36.92%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-72.8134.6171.2-177.50000108.9V234 F260 C264 F265 C311 R312V234-V307 HydrophobicContact CG2-CG2 4.1Å; F260-V307 HydrophobicContact CD1-CG1 4.43Å; F260-V307 HydrophobicContact CD2-CG2 4.16Å; F260-V307 HydrophobicContact CE1-CG1 4.4Å; F260-V307 HydrophobicContact CE2-CG2 4.36Å; C264-V307 CarbonylContact O-C 3.56Å; C264-V307 WeakPolarHBondContact O-CA 3.36Å; F265-V307 HydrophobicContact CE1-CG2 4.02Å; V307-C311 HydrophobicContact CG1-CB 4.27Å; V307-R312 HydrophobicContact CG1-CB 3.95Å
308S92Very high92Very high23 Ų2336.9 Ų36.916%0.16122%0.218CC..  trans-82.2150.4-179-166.10000111.4C264 P310 C311 R312C264-S308 WeakPolarHBondContact O-CB 3.2Å; C264-S308 PolarHBondContact O-N 2.73Å; S308-P310 VanDerWaalsContact C-N 3.34Å; S308-P310 WeakPolarHBondContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact OG-CD 3.24Å; S308-C311 PolarHBondContact O-N 3.05Å; S308-C311 VanDerWaalsContact O-N 3.13Å; S308-R312 PolarHBondContact O-N 2.9Å
309S86.9Confident92.3Very high79 Ų7940.6 Ų40.655%0.55223%0.233SC*.THydrogen-bonded Turntrans-55.7-31.5-177.155.50000116.1C311 R312S309-C311 PolarHBondContact O-N 2.94Å; S309-R312 CarbonylContact C-O 3.57Å; S309-R312 VanDerWaalsContact CA-O 3.25Å; S309-R312 WeakPolarHBondContact CA-O 3.33Å
310P87.3Confident92.6Very high112 Ų11242.8 Ų42.873%0.72724%0.241SC*.THydrogen-bonded Turntrans-64.8-24.4178.7-19.332000113.2S308S308-P310 VanDerWaalsContact C-N 3.34Å; S308-P310 WeakPolarHBondContact O-CD 3.29Å; S308-P310 WeakPolarHBondContact OG-CD 3.24Å
311C90.4Very high92.7Very high31 Ų3142.8 Ų42.821%0.20924%0.241CC..THydrogen-bonded Turntrans-100.9-28.4-174.9-61.30000113.4F260 C264 V307 S308 S309F260-C311 HydrophobicContact CD1-CB 4.18Å; F260-C311 HydrophobicContact CE1-CB 4.3Å; C264-C311 WeakPolarHBondContact CA-SG 3.49Å; C264-C311 HydrophobicContact CB-CB 3.59Å; C264-C311 WeakPolarHBondContact CB-SG 3.47Å; C264-C311 WeakPolarHBondContact SG-CB 2.92Å; C264-C311 CovalentContact SG-SG 2.02Å; C264-C311 PolarHBondContact SG-SG 3.17Å; V307-C311 HydrophobicContact CG1-CB 4.27Å; S308-C311 PolarHBondContact O-N 3.05Å; S308-C311 VanDerWaalsContact O-N 3.13Å; S309-C311 PolarHBondContact O-N 2.94Å
312R90.4Very high92.7Very high11 Ų1150.4 Ų50.44%0.04228%0.277CS..SBendtrans-163.3152.6178.1-166.8167.563.9-178.91.6108.2S200 Y229 D232 F260 V307 S308 S309 S314S200-R312 PolarHBondContact O-NH1 3.1Å; Y229-R312 HydrophobicContact CD1-CG 4.48Å; D232-R312 IonicContact OD2-CZ 2.91Å; D232-R312 VanDerWaalsContact OD2-CZ 3.28Å; D232-R312 IonicContact OD2-NH1 3.24Å; D232-R312 PolarHBondContact OD2-NH1 3.04Å; D232-R312 IonicContact OD2-NH2 2.75Å; D232-R312 PolarHBondContact OD2-NH2 2.82Å; F260-R312 HydrophobicContact CE1-CB 4.47Å; F260-R312 HydrophobicContact CZ-CB 4.39Å; V307-R312 HydrophobicContact CG1-CB 3.95Å; S308-R312 PolarHBondContact O-N 2.9Å; S309-R312 CarbonylContact C-O 3.57Å; S309-R312 VanDerWaalsContact CA-O 3.25Å; S309-R312 WeakPolarHBondContact CA-O 3.33Å; R312-S314 PolarHBondContact O-N 2.78Å
313M88.4Confident92.6Very high119 Ų11950.8 Ų50.859%0.58628%0.282SS*.SBendtrans-50.1144.3169.8-73.3-159-82.400111.1Y229 G315Y229-M313 HydrophobicContact CD1-CB 4.16Å; Y229-M313 HydrophobicContact CD1-CE 4.42Å; Y229-M313 HydrophobicContact CD2-CB 4.35Å; Y229-M313 HydrophobicContact CE1-CB 4.07Å; Y229-M313 HydrophobicContact CE1-CE 3.4Å; Y229-M313 VanDerWaalsContact CE1-CE 3.4Å; Y229-M313 HydrophobicContact CE2-CB 4.32Å; Y229-M313 HydrophobicContact CG-CB 4.31Å; Y229-M313 WeakPolarHBondContact OH-CE 3.45Å; M313-G315 PolarHBondContact O-N 2.77Å; M313-G315 VanDerWaalsContact O-N 3.08Å
314S84.3Confident92.4Very high73 Ų7353.2 Ų53.251%0.5130%0.295SS..  trans-59.1116.8-173.2-69.40000110.3R312R312-S314 PolarHBondContact O-N 2.78Å
315G84.1Confident92.1Very high25 Ų2557.8 Ų57.826%0.25831%0.313SS..  trans-97.7-170.1171.800000112.3Y229 M313Y229-G315 VanDerWaalsContact O-CA 3.29Å; Y229-G315 WeakPolarHBondContact O-CA 3.07Å; M313-G315 PolarHBondContact O-N 2.77Å; M313-G315 VanDerWaalsContact O-N 3.08Å
316S87.1Confident91.8Very high72 Ų7258.9 Ų58.950%0.50332%0.32SS..PPolyproline II helixtrans-69.7155.8177.4-62.30000112.5
317W94.3Very high91.2Very high78 Ų7860.5 Ų60.530%0.29534%0.337SS..PPolyproline II helixtrans-71.4139167.6-7591.2000110K266 K268 R304 A306K266-W317 HydrophobicContact CD-CH2 4.48Å; K266-W317 HydrophobicContact CG-CH2 4.1Å; K268-W317 HydrophobicContact CB-CE3 4.22Å; K268-W317 HydrophobicContact CB-CH2 3.77Å; K268-W317 HydrophobicContact CB-CZ2 4.45Å; K268-W317 HydrophobicContact CB-CZ3 3.65Å; R304-W317 HydrophobicContact CG-CE3 3.88Å; R304-W317 HydrophobicContact CG-CZ3 4.39Å; A306-W317 HydrophobicContact CB-CD2 3.86Å; A306-W317 HydrophobicContact CB-CE3 3.67Å; A306-W317 HydrophobicContact CB-CG 4.38Å; A306-W317 HydrophobicContact CB-CH2 4.46Å; A306-W317 HydrophobicContact CB-CZ3 3.98Å
318G94.5Very high90.1Very high2 Ų267.2 Ų67.22%0.02137%0.365CS..PPolyproline II helixtrans-68173.4169.400000112.9V234 R304 A305V234-G318 WeakPolarHBondContact O-CA 3.06Å; R304-G318 WeakPolarHBondContact CD-O 3.4Å; A305-G318 PolarHBondContact O-N 2.82Å
319E95.9Very high88.4Confident114 Ų11475.2 Ų75.253%0.53340%0.397SS..PPolyproline II helixtrans-64155173.6-69.9-56140.100111.9R304R304-E319 VanDerWaalsContact CB-O 3.26Å; R304-E319 WeakPolarHBondContact CB-O 3.31Å
320W97.3Very high86.7Confident62 Ų6279.2 Ų79.224%0.23541%0.405CS..PPolyproline II helixtrans-68.2143.3170.8-68.6100.3000110.8K268 K270 Q302 R304K268-W320 HydrophobicContact CB-CH2 4.29Å; K268-W320 HydrophobicContact CD-CH2 4.14Å; K268-W320 HydrophobicContact CD-CZ2 4.41Å; K268-W320 HydrophobicContact CG-CH2 3.93Å; K268-W320 VanDerWaalsContact O-CZ3 3.27Å; K268-W320 WeakPolarHBondContact O-CZ3 3.49Å; K270-W320 HydrophobicContact CB-CE3 4.4Å; K270-W320 HydrophobicContact CB-CH2 3.65Å; K270-W320 HydrophobicContact CB-CZ2 4.48Å; K270-W320 HydrophobicContact CB-CZ3 3.61Å; Q302-W320 HydrophobicContact CB-CB 4.42Å; Q302-W320 HydrophobicContact CB-CD2 4.36Å; Q302-W320 HydrophobicContact CB-CE3 3.69Å; Q302-W320 HydrophobicContact CB-CZ3 4.33Å; Q302-W320 WeakPolarHBondContact O-CZ3 3.45Å; R304-W320 HydrophobicContact CB-CD2 4.2Å; R304-W320 HydrophobicContact CB-CE3 4.03Å; R304-W320 HydrophobicContact CG-CD2 3.98Å; R304-W320 HydrophobicContact CG-CE3 3.82Å; R304-W320 HydrophobicContact CG-CH2 4.13Å; R304-W320 HydrophobicContact CG-CZ2 4.26Å; R304-W320 HydrophobicContact CG-CZ3 3.9Å
321S97.4Very high84.9Confident8 Ų881.2 Ų81.26%0.05640%0.402CS..PPolyproline II helixtrans-59159.1166.271.70000110.5Q302 V303Q302-S321 PolarHBondContact NE2-O 3.09Å; Q302-S321 VanDerWaalsContact NE2-O 3.11Å; V303-S321 PolarHBondContact N-OG 2.73Å; V303-S321 VanDerWaalsContact O-CB 3.31Å; V303-S321 WeakPolarHBondContact O-CB 3.3Å; V303-S321 PolarHBondContact O-N 3Å; V303-S321 PolarHBondContact O-OG 2.76Å
322Q95.9Very high83.2Confident159 Ų15983.9 Ų83.974%0.74342%0.419SS*.PPolyproline II helixtrans-55.6139168.3-66-58.8-38.500109.9I324Q322-I324 PolarHBondContact O-N 3.29Å
323P95.1Very high81.6Confident43 Ų4389 Ų8928%0.27945%0.446SS..PPolyproline II helixtrans-69.1130.4-178.427.9-33.4000110.7S300 I301 Q302 Y325S300-P323 WeakPolarHBondContact OG-CB 3.4Å; I301-P323 WeakPolarHBondContact O-CA 3.41Å; Q302-P323 HydrophobicContact CG-CB 3.9Å; P323-Y325 HydrophobicContact CB-CE2 3.91Å; P323-Y325 HydrophobicContact CG-CE2 3.92Å
324I94.4Very high80.2Confident51 Ų5187.3 Ų87.326%0.26244%0.443SS..EExtended strand (participates in β ladder)trans-101.3126.1171.8-60.3-179.6000108.2V240 V242 S300 I301 Q322 V326V240-I324 HydrophobicContact CB-CD1 3.68Å; V240-I324 HydrophobicContact CG1-CD1 3.77Å; V240-I324 WeakPolarHBondContact O-CD1 3.44Å; V242-I324 HydrophobicContact CG2-CG2 4.21Å; S300-I324 CarbonylContact C-O 3.5Å; S300-I324 WeakPolarHBondContact CA-O 3.34Å; I301-I324 PolarHBondContact N-O 2.93Å; I301-I324 PolarHBondContact O-N 3.34Å; Q322-I324 PolarHBondContact O-N 3.29Å; I324-V326 HydrophobicContact CG2-CG1 4.11Å
325Y92.4Very high79.1Confident148 Ų14889 Ų8958%0.5844%0.443SS*.EExtended strand (participates in β ladder)trans-101.4125.5178.9-63.3-87.8000110.7T298 Y299 P323T298-Y325 HydrophobicContact CG2-CD1 4.48Å; Y299-Y325 CarbonylContact O-C 3.56Å; Y299-Y325 VanDerWaalsContact O-CA 3.24Å; Y299-Y325 WeakPolarHBondContact O-CA 3.45Å; P323-Y325 HydrophobicContact CB-CE2 3.91Å; P323-Y325 HydrophobicContact CG-CE2 3.92Å
326V89.8Confident78.2Confident24 Ų2496.6 Ų96.615%0.14546%0.463CS..EExtended strand (participates in β ladder)trans-135.3155.8177.2-60.10000111V242 I244 L249 T298 Y299 I301 I324V242-V326 HydrophobicContact CB-CG1 3.95Å; V242-V326 HydrophobicContact CG1-CB 4.46Å; V242-V326 HydrophobicContact CG1-CG1 3.9Å; V242-V326 HydrophobicContact CG1-CG2 3.9Å; I244-V326 HydrophobicContact CD1-CB 3.98Å; I244-V326 HydrophobicContact CD1-CG2 4.14Å; L249-V326 HydrophobicContact CD2-CG2 3.6Å; T298-V326 CarbonylContact C-O 3.55Å; T298-V326 WeakPolarHBondContact CA-O 3.43Å; Y299-V326 PolarHBondContact N-O 3.19Å; Y299-V326 PolarHBondContact O-N 2.81Å; I301-V326 HydrophobicContact CD1-CG2 3.54Å; I324-V326 HydrophobicContact CG2-CG1 4.11Å
327G84Confident77.3Confident34 Ų3498.4 Ų98.435%0.35146%0.464SS..EExtended strand (participates in β ladder)trans121171.4-178.700000112.5K329G327-K329 PolarHBondContact O-N 2.5Å
328K70.5Confident76.3Confident144 Ų144100.6 Ų100.663%0.62648%0.481SS*.PPolyproline II helixtrans-75.5117.1-177.8-67.7178.2-176.3166.30109.3K330K328-K330 PolarHBondContact O-N 3.01Å
329K56.1Low75.4Confident191 Ų191106 Ų10683%0.8351%0.508SS*.PPolyproline II helixtrans-58.2124.4162.9-74.5-175.4178.6179.40107.2G327 K331G327-K329 PolarHBondContact O-N 2.5Å; K329-K331 PolarHBondContact O-N 3.1Å; K329-K331 VanDerWaalsContact O-N 3.15Å
330K50.4Low74.8Confident162 Ų162103.5 Ų103.570%0.70450%0.5SS*.PPolyproline II helixtrans-57124.1159.5-90.9-172.3174.1-176.40106.2K328 P332K328-K330 PolarHBondContact O-N 3.01Å; K330-P332 VanDerWaalsContact O-N 3.15Å
331K49.9Very low74.2Confident154 Ų154106 Ų10667%0.6752%0.518SS*.PPolyproline II helixtrans-50.5124.3157.9-68.1-164.7176.9-167.80106K329 L333 E335K329-K331 PolarHBondContact O-N 3.1Å; K329-K331 VanDerWaalsContact O-N 3.15Å; K331-L333 PolarHBondContact O-N 2.75Å; K331-E335 VanDerWaalsContact CD-OE2 3.24Å; K331-E335 WeakPolarHBondContact CD-OE2 3.41Å; K331-E335 IonicContact NZ-OE1 2.69Å; K331-E335 IonicContact NZ-OE2 2.77Å
332P55.3Low73.7Confident87 Ų87108.8 Ų108.857%0.56554%0.535SS*.PPolyproline II helixtrans-57.9138.3-175.723.5-31.7000108.1K330 V334 E335K330-P332 VanDerWaalsContact O-N 3.15Å; P332-V334 HydrophobicContact CB-CB 4.03Å; P332-V334 HydrophobicContact CB-CG2 3.81Å; P332-V334 HydrophobicContact CG-CB 4.26Å; P332-V334 HydrophobicContact CG-CG2 4.44Å; P332-V334 PolarHBondContact O-N 3.49Å; P332-E335 PolarHBondContact O-N 3.04Å
333L57Low73.4Confident119 Ų119104.6 Ų104.662%0.62352%0.521SS*.THydrogen-bonded Turntrans-52.6-12.5176.8-136.6123.9000112.7K331 E335 W336 H337K331-L333 PolarHBondContact O-N 2.75Å; L333-E335 VanDerWaalsContact C-N 3.25Å; L333-E335 PolarHBondContact O-N 3.19Å; L333-W336 PolarHBondContact O-N 3.17Å; L333-H337 WeakPolarHBondContact CD2-NE2 3.49Å; L333-H337 PolarHBondContact O-CD2 3.17Å; L333-H337 PolarHBondContact O-N 2.95Å; L333-H337 VanDerWaalsContact O-N 3.07Å
334V58.4Low73.2Confident84 Ų84104.7 Ų104.751%0.50953%0.525SS..Hα-helixtrans-46.9-39167.4-178.80000113.1P332 W336 H337 L338P332-V334 HydrophobicContact CB-CB 4.03Å; P332-V334 HydrophobicContact CB-CG2 3.81Å; P332-V334 HydrophobicContact CG-CB 4.26Å; P332-V334 HydrophobicContact CG-CG2 4.44Å; P332-V334 PolarHBondContact O-N 3.49Å; V334-W336 VanDerWaalsContact C-N 3.31Å; V334-W336 PolarHBondContact O-N 3.29Å; V334-H337 PolarHBondContact O-N 3.09Å; V334-L338 HydrophobicContact CG1-CD1 4.29Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.22Å
335E61.1Low73.1Confident108 Ų108106.4 Ų106.451%0.50553%0.534SS..Hα-helixtrans-63.5-37176.9-108.5178-170.400112.1K331 P332 L333K331-E335 VanDerWaalsContact CD-OE2 3.24Å; K331-E335 WeakPolarHBondContact CD-OE2 3.41Å; K331-E335 IonicContact NZ-OE1 2.69Å; K331-E335 IonicContact NZ-OE2 2.77Å; P332-E335 PolarHBondContact O-N 3.04Å; L333-E335 VanDerWaalsContact C-N 3.25Å; L333-E335 PolarHBondContact O-N 3.19Å
336W66.1Low73Confident184 Ų184102.8 Ų102.870%0.69753%0.53SS*.Hα-helixtrans-76.1-36.6176.9-113.379.4000111.9L333 V334 L338 I339 V340L333-W336 PolarHBondContact O-N 3.17Å; V334-W336 VanDerWaalsContact C-N 3.31Å; V334-W336 PolarHBondContact O-N 3.29Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 3.38Å; W336-I339 PolarHBondContact O-N 3.29Å; W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CE3-CG2 3.22Å; W336-V340 HydrophobicContact CH2-CG2 4.49Å; W336-V340 HydrophobicContact CZ3-CG2 3.34Å; W336-V340 WeakPolarHBondContact O-CB 3.43Å; W336-V340 WeakPolarHBondContact O-CG2 3.38Å; W336-V340 PolarHBondContact O-N 3.34Å
337H68.3Low73.1Confident110 Ų110108.2 Ų108.251%0.50955%0.552SS.*Hα-helixtrans-64.5-34.4175.9-71.2-60.5000113L333 V334 I339 L341L333-H337 WeakPolarHBondContact CD2-NE2 3.49Å; L333-H337 PolarHBondContact O-CD2 3.17Å; L333-H337 PolarHBondContact O-N 2.95Å; L333-H337 VanDerWaalsContact O-N 3.07Å; V334-H337 PolarHBondContact O-N 3.09Å; H337-I339 PolarHBondContact O-N 2.96Å; H337-L341 WeakPolarHBondContact O-CB 3.37Å; H337-L341 PolarHBondContact O-N 2.89Å
338L71.9Confident73.5Confident125 Ų125112 Ų11265%0.65456%0.563SS**Hα-helixtrans-67.2-21.3175.7-73.2171.7000113.4V334 W336 P342V334-L338 HydrophobicContact CG1-CD1 4.29Å; V334-L338 WeakPolarHBondContact O-CG 3.37Å; V334-L338 PolarHBondContact O-N 3.22Å; W336-L338 VanDerWaalsContact C-N 3.32Å; W336-L338 PolarHBondContact O-N 3.38Å; L338-P342 WeakPolarHBondContact O-CD 3.21Å; L338-P342 WeakPolarHBondContact O-CG 3.46Å
339I76.6Confident74.5Confident115 Ų115110.3 Ų110.359%0.5956%0.56SS**Hα-helixtrans-96.9-42.7178-61171.4000110.7W336 H337 T343W336-I339 PolarHBondContact O-N 3.29Å; H337-I339 PolarHBondContact O-N 2.96Å; I339-T343 WeakPolarHBondContact O-CB 3.45Å; I339-T343 VanDerWaalsContact O-CG2 3.3Å; I339-T343 WeakPolarHBondContact O-CG2 3.34Å; I339-T343 PolarHBondContact O-N 2.84Å; I339-T343 PolarHBondContact O-OG1 2.7Å
340V83Confident76.2Confident61 Ų61106.3 Ų106.337%0.3755%0.547SS..Hα-helixtrans-74.2-37.2-175.7174.10000112.8W336 T343 A344W336-V340 HydrophobicContact CD2-CG2 4.3Å; W336-V340 HydrophobicContact CE3-CG2 3.22Å; W336-V340 HydrophobicContact CH2-CG2 4.49Å; W336-V340 HydrophobicContact CZ3-CG2 3.34Å; W336-V340 WeakPolarHBondContact O-CB 3.43Å; W336-V340 WeakPolarHBondContact O-CG2 3.38Å; W336-V340 PolarHBondContact O-N 3.34Å; V340-T343 VanDerWaalsContact CA-OG1 3.31Å; V340-T343 WeakPolarHBondContact CA-OG1 3.31Å; V340-T343 PolarHBondContact O-OG1 2.9Å; V340-A344 VanDerWaalsContact O-CB 3.25Å; V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 2.92Å
341L84.2Confident78Confident116 Ų116103.1 Ų103.161%0.60754%0.536SS*.Hα-helixtrans-68.2-46.9-176.4-163.775.6000112H337 A344 I345H337-L341 WeakPolarHBondContact O-CB 3.37Å; H337-L341 PolarHBondContact O-N 2.89Å; L341-A344 PolarHBondContact O-N 2.9Å; L341-I345 HydrophobicContact CG-CD1 4.21Å; L341-I345 WeakPolarHBondContact O-CD1 3.23Å; L341-I345 VanDerWaalsContact O-CG1 3.24Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 2.87Å; L341-I345 VanDerWaalsContact O-N 3.08Å
342P88Confident79.7Confident65 Ų65102 Ų10242%0.42253%0.532SS..Hα-helixtrans-66.9-38.2177.2-20.934.9000112.6L338 I345 C346L338-P342 WeakPolarHBondContact O-CD 3.21Å; L338-P342 WeakPolarHBondContact O-CG 3.46Å; P342-I345 PolarHBondContact O-N 2.84Å; P342-C346 PolarHBondContact O-N 3.25Å; P342-C346 PolarHBondContact O-SG 3.09Å; P342-C346 VanDerWaalsContact O-SG 3.35Å
343T88.2Confident81Confident72 Ų72101.3 Ų101.344%0.44253%0.529SS..Hα-helixtrans-65.5-42.7178.247.30000111.6I339 V340 I345 C346 F347I339-T343 WeakPolarHBondContact O-CB 3.45Å; I339-T343 VanDerWaalsContact O-CG2 3.3Å; I339-T343 WeakPolarHBondContact O-CG2 3.34Å; I339-T343 PolarHBondContact O-N 2.84Å; I339-T343 PolarHBondContact O-OG1 2.7Å; V340-T343 VanDerWaalsContact CA-OG1 3.31Å; V340-T343 WeakPolarHBondContact CA-OG1 3.31Å; V340-T343 PolarHBondContact O-OG1 2.9Å; T343-I345 PolarHBondContact O-N 2.91Å; T343-C346 PolarHBondContact O-N 3.28Å; T343-F347 WeakPolarHBondContact O-CD2 3.37Å; T343-F347 PolarHBondContact O-N 3.28Å
344A91.1Very high82.3Confident44 Ų44100.7 Ų100.736%0.36453%0.526SS..Hα-helixtrans-61.8-42.7174.500000112.3V340 L341 F347 I348V340-A344 VanDerWaalsContact O-CB 3.25Å; V340-A344 WeakPolarHBondContact O-CB 3.48Å; V340-A344 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 2.9Å; A344-F347 PolarHBondContact O-N 3.05Å; A344-I348 VanDerWaalsContact O-CG1 3.29Å; A344-I348 WeakPolarHBondContact O-CG1 3.49Å; A344-I348 PolarHBondContact O-N 3Å
345I91.9Very high83.5Confident87 Ų87100.4 Ų100.445%0.44652%0.52SS..Hα-helixtrans-62-45.3176.6-68.2165.1000110.8L341 P342 T343 F347 I348 L349L341-I345 HydrophobicContact CG-CD1 4.21Å; L341-I345 WeakPolarHBondContact O-CD1 3.23Å; L341-I345 VanDerWaalsContact O-CG1 3.24Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 2.87Å; L341-I345 VanDerWaalsContact O-N 3.08Å; P342-I345 PolarHBondContact O-N 2.84Å; T343-I345 PolarHBondContact O-N 2.91Å; I345-F347 VanDerWaalsContact C-N 3.33Å; I345-F347 PolarHBondContact O-N 2.77Å; I345-I348 PolarHBondContact O-N 2.97Å; I345-L349 HydrophobicContact CG2-CD1 3.97Å; I345-L349 HydrophobicContact CG2-CG 4.4Å; I345-L349 WeakPolarHBondContact O-CG 3.48Å; I345-L349 PolarHBondContact O-N 3.43Å
346C91.7Very high84.2Confident73 Ų7395.6 Ų95.649%0.49350%0.499SS..Hα-helixtrans-58.5-44176-74.70000112.1P342 T343 L349 L350P342-C346 PolarHBondContact O-N 3.25Å; P342-C346 PolarHBondContact O-SG 3.09Å; P342-C346 VanDerWaalsContact O-SG 3.35Å; T343-C346 PolarHBondContact O-N 3.28Å; C346-L349 PolarHBondContact O-N 3.06Å; C346-L350 VanDerWaalsContact O-CG 3.3Å; C346-L350 WeakPolarHBondContact O-CG 3.08Å; C346-L350 PolarHBondContact O-N 2.93Å
347F92.3Very high84.7Confident138 Ų13896.5 Ų96.561%0.60550%0.502SS*.Hα-helixtrans-62.7-42.7177-94.3-76.8000112.6T343 A344 I345 L349 L350 I351T343-F347 WeakPolarHBondContact O-CD2 3.37Å; T343-F347 PolarHBondContact O-N 3.28Å; A344-F347 PolarHBondContact O-N 3.05Å; I345-F347 VanDerWaalsContact C-N 3.33Å; I345-F347 PolarHBondContact O-N 2.77Å; F347-L349 PolarHBondContact O-N 3.37Å; F347-L350 PolarHBondContact O-N 3.47Å; F347-I351 WeakPolarHBondContact O-CD1 3.16Å; F347-I351 VanDerWaalsContact O-CG1 3.25Å; F347-I351 WeakPolarHBondContact O-CG1 3.49Å; F347-I351 PolarHBondContact O-N 3.2Å
348I92.3Very high85Confident114 Ų11496.4 Ų96.459%0.58551%0.509SS*.Hα-helixtrans-63-43.5177.9-66.8165.2000110.8A344 I345 L350 I351 F352A344-I348 VanDerWaalsContact O-CG1 3.29Å; A344-I348 WeakPolarHBondContact O-CG1 3.49Å; A344-I348 PolarHBondContact O-N 3Å; I345-I348 PolarHBondContact O-N 2.97Å; I348-L350 PolarHBondContact O-N 2.81Å; I348-I351 PolarHBondContact O-N 2.79Å; I348-F352 WeakPolarHBondContact O-CB 3.35Å; I348-F352 PolarHBondContact O-N 3.03Å
349L91.3Very high85.1Confident107 Ų10798.4 Ų98.456%0.5651%0.509SS*.Hα-helixtrans-64.3-38.9178.1-69.6173.4000112.4I345 C346 F347 F352 S353I345-L349 HydrophobicContact CG2-CD1 3.97Å; I345-L349 HydrophobicContact CG2-CG 4.4Å; I345-L349 WeakPolarHBondContact O-CG 3.48Å; I345-L349 PolarHBondContact O-N 3.43Å; C346-L349 PolarHBondContact O-N 3.06Å; F347-L349 PolarHBondContact O-N 3.37Å; L349-F352 PolarHBondContact O-N 2.98Å; L349-S353 VanDerWaalsContact O-CB 3.31Å; L349-S353 WeakPolarHBondContact O-CB 3.36Å; L349-S353 PolarHBondContact O-N 2.86Å
350L91.1Very high84.5Confident107 Ų10799 Ų9956%0.5651%0.509SS*.Hα-helixtrans-64.7-44.9175.6-72.7173.4000111.7C346 F347 I348 S353 L354C346-L350 VanDerWaalsContact O-CG 3.3Å; C346-L350 WeakPolarHBondContact O-CG 3.08Å; C346-L350 PolarHBondContact O-N 2.93Å; F347-L350 PolarHBondContact O-N 3.47Å; I348-L350 PolarHBondContact O-N 2.81Å; L350-S353 PolarHBondContact O-N 2.8Å; L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 WeakPolarHBondContact O-CD1 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.08Å
351I88.8Confident83.4Confident95 Ų9599.6 Ų99.649%0.48751%0.51SS..Hα-helixtrans-64.1-44.4177.4-65.7163.6000110.4F347 I348 S353 L354 I355F347-I351 WeakPolarHBondContact O-CD1 3.16Å; F347-I351 VanDerWaalsContact O-CG1 3.25Å; F347-I351 WeakPolarHBondContact O-CG1 3.49Å; F347-I351 PolarHBondContact O-N 3.2Å; I348-I351 PolarHBondContact O-N 2.79Å; I351-S353 PolarHBondContact O-N 2.82Å; I351-L354 PolarHBondContact O-N 3.11Å; I351-I355 HydrophobicContact CG2-CD1 3.76Å; I351-I355 HydrophobicContact CG2-CG1 4.42Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.11Å
352F85.9Confident82Confident131 Ų131101.8 Ų101.858%0.57551%0.51SS*.Hα-helixtrans-60.6-45.3176.4-177.8-101.2000111.8I348 L349 L354 I355 C356I348-F352 WeakPolarHBondContact O-CB 3.35Å; I348-F352 PolarHBondContact O-N 3.03Å; L349-F352 PolarHBondContact O-N 2.98Å; F352-L354 PolarHBondContact O-N 2.81Å; F352-I355 PolarHBondContact O-N 2.88Å; F352-C356 VanDerWaalsContact CE1-SG 3.52Å; F352-C356 VanDerWaalsContact CZ-SG 3.52Å; F352-C356 WeakPolarHBondContact O-CB 3.11Å; F352-C356 PolarHBondContact O-N 2.87Å; F352-C356 PolarHBondContact O-SG 2.89Å
353S82.1Confident80.5Confident72 Ų72103 Ų10350%0.50352%0.516SS..Hα-helixtrans-59.1-44.6175.4179.80000112.2L349 L350 I351 C356 R357L349-S353 VanDerWaalsContact O-CB 3.31Å; L349-S353 WeakPolarHBondContact O-CB 3.36Å; L349-S353 PolarHBondContact O-N 2.86Å; L350-S353 PolarHBondContact O-N 2.8Å; I351-S353 PolarHBondContact O-N 2.82Å; S353-C356 PolarHBondContact O-N 2.84Å; S353-R357 WeakPolarHBondContact O-CB 3.26Å; S353-R357 PolarHBondContact O-N 2.8Å
354L84.2Confident79Confident107 Ų107110.1 Ų110.156%0.5654%0.535SS*.Hα-helixtrans-60.9-45.6175.7-81.4158.3000111.9L350 I351 F352 R357 V358L350-L354 WeakPolarHBondContact O-CB 3.45Å; L350-L354 WeakPolarHBondContact O-CD1 3.23Å; L350-L354 WeakPolarHBondContact O-CG 3.47Å; L350-L354 PolarHBondContact O-N 3.08Å; I351-L354 PolarHBondContact O-N 3.11Å; F352-L354 PolarHBondContact O-N 2.81Å; L354-R357 PolarHBondContact O-N 3.5Å; L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.28Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.91Å
355I82.4Confident77.4Confident77 Ų77114.3 Ų114.340%0.39555%0.551SS.*Hα-helixtrans-62.6-47.8176.7-67.7167.4000110.3I351 F352 R357 V358 Y359I351-I355 HydrophobicContact CG2-CD1 3.76Å; I351-I355 HydrophobicContact CG2-CG1 4.42Å; I351-I355 VanDerWaalsContact O-CG1 3.27Å; I351-I355 WeakPolarHBondContact O-CG1 3.2Å; I351-I355 PolarHBondContact O-N 3.11Å; F352-I355 PolarHBondContact O-N 2.88Å; I355-R357 PolarHBondContact O-N 2.79Å; I355-V358 PolarHBondContact O-N 2.69Å; I355-Y359 HydrophobicContact CG2-CD2 3.7Å; I355-Y359 HydrophobicContact CG2-CE2 4.07Å; I355-Y359 WeakPolarHBondContact O-CB 3.49Å; I355-Y359 WeakPolarHBondContact O-CD2 3.35Å; I355-Y359 PolarHBondContact O-N 2.84Å
356C77Confident75.8Confident8 Ų8117 Ų1175%0.05456%0.559CS.*Hα-helixtrans-59.9-34.1177.6-72.60000112.9F352 S353 H360 L361F352-C356 VanDerWaalsContact CE1-SG 3.52Å; F352-C356 VanDerWaalsContact CZ-SG 3.52Å; F352-C356 WeakPolarHBondContact O-CB 3.11Å; F352-C356 PolarHBondContact O-N 2.87Å; F352-C356 PolarHBondContact O-SG 2.89Å; S353-C356 PolarHBondContact O-N 2.84Å; C356-H360 PolarHBondContact O-N 2.84Å; C356-L361 PolarHBondContact O-N 3.15Å
357R76.1Confident74Confident203 Ų203118.2 Ų118.277%0.76657%0.566SS**Hα-helixtrans-73.2-43.8176.4-164178.6-171.3-172.12.8112.2S353 L354 I355S353-R357 WeakPolarHBondContact O-CB 3.26Å; S353-R357 PolarHBondContact O-N 2.8Å; L354-R357 PolarHBondContact O-N 3.5Å; I355-R357 PolarHBondContact O-N 2.79Å
358V75.1Confident72.5Confident107 Ų107117.3 Ų117.365%0.64858%0.575SS**Hα-helixtrans-68.8-37.7-179.7170.90000111.8L354 I355L354-V358 WeakPolarHBondContact O-CB 3.37Å; L354-V358 VanDerWaalsContact O-CG2 3.28Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.91Å; I355-V358 PolarHBondContact O-N 2.69Å
359Y73.6Confident70.7Confident168 Ų168118.4 Ų118.466%0.65959%0.586SS**THydrogen-bonded Turntrans-92.15.7-177.9-73.4-82.1000114.5I355 L361I355-Y359 HydrophobicContact CG2-CD2 3.7Å; I355-Y359 HydrophobicContact CG2-CE2 4.07Å; I355-Y359 WeakPolarHBondContact O-CB 3.49Å; I355-Y359 WeakPolarHBondContact O-CD2 3.35Å; I355-Y359 PolarHBondContact O-N 2.84Å; Y359-L361 PolarHBondContact O-N 3.03Å
360H64.1Low68.9Low127 Ų127119 Ų11959%0.58860%0.597SS**THydrogen-bonded Turntrans48.732.8-176.9-79.7-73.9000113.6C356 W362 T363C356-H360 PolarHBondContact O-N 2.84Å; H360-W362 PolarHBondContact O-N 2.75Å; H360-T363 PolarHBondContact O-N 2.96Å; H360-T363 PolarHBondContact O-OG1 2.88Å
361L59.5Low66.9Low73 Ų73118.2 Ų118.238%0.38261%0.606SS.*Hα-helixtrans-67.1-27.4-175.8-75.5161.1000112.1C356 Y359 T363 R364 L365C356-L361 PolarHBondContact O-N 3.15Å; Y359-L361 PolarHBondContact O-N 3.03Å; L361-T363 VanDerWaalsContact C-N 3.32Å; L361-T363 PolarHBondContact O-N 2.81Å; L361-R364 PolarHBondContact O-N 2.85Å; L361-L365 PolarHBondContact O-N 3.07Å; L361-L365 VanDerWaalsContact O-N 3.1Å
362W55.3Low64.9Low162 Ų162119.8 Ų119.861%0.61462%0.622SS**Hα-helixtrans-63.3-33.1175-82.991.8000113.4H360 R364 F366H360-W362 PolarHBondContact O-N 2.75Å; W362-R364 VanDerWaalsContact C-N 3.29Å; W362-R364 PolarHBondContact O-N 2.89Å; W362-F366 AromaticContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CE2 4.09Å; W362-F366 AromaticContact CZ3-CD2 3.91Å; W362-F366 HydrophobicContact CZ3-CD2 3.91Å; W362-F366 AromaticContact CZ3-CE2 3.78Å; W362-F366 HydrophobicContact CZ3-CE2 3.78Å; W362-F366 PolarHBondContact O-N 3.16Å; W362-F366 VanDerWaalsContact O-N 3.16Å
363T56Low62.8Low91 Ų91123.8 Ų123.856%0.55864%0.639SS**Hα-helixtrans-78.6-14.7177.8590000112.8H360 L361H360-T363 PolarHBondContact O-N 2.96Å; H360-T363 PolarHBondContact O-OG1 2.88Å; L361-T363 VanDerWaalsContact C-N 3.32Å; L361-T363 PolarHBondContact O-N 2.81Å
364R56.4Low61Low222 Ų222125.7 Ų125.784%0.83865%0.652SS**Hα-helixtrans-89.4-32.5171.7-81-158.3177.1-163.81.7113.9L361 W362L361-R364 PolarHBondContact O-N 2.85Å; W362-R364 VanDerWaalsContact C-N 3.29Å; W362-R364 PolarHBondContact O-N 2.89Å
365L58.4Low58.9Low132 Ų132126.4 Ų126.469%0.69167%0.666SS**Hα-helixtrans-85.2-24.5-179.3-76.4160.8000113.1L361L361-L365 PolarHBondContact O-N 3.07Å; L361-L365 VanDerWaalsContact O-N 3.1Å
366F58.5Low57.4Low142 Ų142129.6 Ų129.662%0.62368%0.682SS**SBendtrans-13589.2176.1-61.8-80.2000110.5W362W362-F366 AromaticContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CD2 3.81Å; W362-F366 HydrophobicContact CE3-CE2 4.09Å; W362-F366 AromaticContact CZ3-CD2 3.91Å; W362-F366 HydrophobicContact CZ3-CD2 3.91Å; W362-F366 AromaticContact CZ3-CE2 3.78Å; W362-F366 HydrophobicContact CZ3-CE2 3.78Å; W362-F366 PolarHBondContact O-N 3.16Å; W362-F366 VanDerWaalsContact O-N 3.16Å
367P54.3Low55.3Low99 Ų99138.3 Ų138.364%0.64372%0.719SS**PPolyproline II helixtrans-66.1142.6173.526.7-32000110.4V369P367-V369 PolarHBondContact O-N 3.27Å
368P60.4Low53.7Low120 Ų120134.7 Ų134.778%0.77972%0.716SS**PPolyproline II helixtrans-65132.9178.625.3-31.6000110.7
369V55.1Low51.8Low137 Ų137137.8 Ų137.883%0.8373%0.727SS**PPolyproline II helixtrans-60.9125.3175.8178.90000109.1P367 A371P367-V369 PolarHBondContact O-N 3.27Å; V369-A371 PolarHBondContact O-N 2.78Å
370P53.5Low50.8Low120 Ų120134.8 Ų134.878%0.77973%0.729SS**PPolyproline II helixtrans-70.1129.5-176.824.7-30.8000111.6
371A49.1Very low49.2Very low90 Ų90134.6 Ų134.674%0.74474%0.736SS**PPolyproline II helixtrans-71.1140.717800000111.9V369V369-A371 PolarHBondContact O-N 2.78Å
372P46.2Very low48.1Very low127 Ų127137 Ų13783%0.82575%0.753SS**PPolyproline II helixtrans-72138.7176.427.2-31.4000112.1S374P372-S374 PolarHBondContact O-N 2.98Å
373K41.2Very low46.9Very low215 Ų215135 Ų13594%0.93576%0.759SS**PPolyproline II helixtrans-69.1122-179.7-68.8178.6176.1179.30111.3
374S45.1Very low45.9Very low112 Ų112138.1 Ų138.178%0.78377%0.768SS**  trans-89.3113.316449.90000109.9P372 I376P372-S374 PolarHBondContact O-N 2.98Å; S374-I376 PolarHBondContact O-N 3.26Å
375S39Very low44.7Very low122 Ų122136.3 Ų136.385%0.85376%0.762SS**  trans-80.9114.6167.867.40000109.2
376I50.8Low43.4Very low144 Ų144138.3 Ų138.374%0.73877%0.768SS**  trans-64133.5167.3-63.3162.4000109.1S374S374-I376 PolarHBondContact O-N 3.26Å
377K34.3Very low42.2Very low191 Ų191140.8 Ų140.883%0.8378%0.778SS**  trans-152.1105.8138.1-76.1-155.7177.1178.90110.7
378D41.5Very low41.7Very low128 Ų128141.6 Ų141.668%0.68478%0.783SS**  43.2115.9128.9-49.1-34.4000119.4
379L35.1Very low41.2Very low171 Ų171140.6 Ų140.690%0.89578%0.777SS**  trans-151.1120.7130.9-104.3152.3000109.2
380P52Low40.1Very low106 Ų106144.4 Ų144.469%0.68878%0.777SS**  trans-84.3163.516835.1-29.7000109.8
381V30.5Very low39.1Very low123 Ų123145 Ų14575%0.74577%0.773SS**  trans147.8108.8143.2163.80000111.3
382V36.5Very low38.5Very low122 Ų122148.7 Ų148.774%0.73978%0.775SS**  49.5121.5126.5-155.10000116.4
383T31.1Very low38.1Very low120 Ų120148.2 Ų148.274%0.73677%0.77SS**  -171.5135.273.232.80000110.3
384E35.2Very low37.6Very low158 Ų158147.4 Ų147.474%0.73877%0.766SS**  21.1124.1123.9-129.5170.1-153.800118.6
385Y30.8Very low37.2Very low184 Ų184148.5 Ų148.572%0.72276%0.762SS**  167.4128115.8-104.2-94.7000113.4
386E31.4Very low36.9Very low174 Ų174152.1 Ų152.181%0.81377%0.766SS**  trans62.3137.6143-78.4174.317400126.1
387K32Very low36.1Very low194 Ų194152 Ų15284%0.84377%0.765SS**  trans-87.1-176.9169.9-97.7-179.3-178.81760109.9
388P44Very low36.1Very low115 Ų115148.9 Ų148.975%0.74776%0.762SS**  cis-135.9-134.2-29.935.7-10.4000111.6
389P50.9Low35.6Very low100 Ų100150.5 Ų150.565%0.64977%0.765SS**  -117.2-176.8-128.536.5-13.2000115.2
390W31.2Very low35.7Very low216 Ų216151.6 Ų151.682%0.81876%0.763SS**  trans160.7153.7134.9-93.790.9000113.7
391N33.1Very low34.9Very low132 Ų132152.6 Ų152.671%0.70677%0.767SS**  trans-62.2164.4178-68-31.4000115.2
392E37.1Very low35.3Very low169 Ų169155.2 Ų155.279%0.7977%0.771SS**  164.8131.8110.7-88.8-175.1-172.500115.8
393T36.7Very low35.2Very low117 Ų117158.1 Ų158.172%0.71878%0.776SS**  trans13.1136.4141.325.30000125.4
394K31.5Very low35.2Very low197 Ų197159.9 Ų159.986%0.85778%0.781SS**  180113.2126.8-117.3178173.8177.70110.1
395I36.8Very low35Very low135 Ų135154.9 Ų154.969%0.69277%0.772SS**  57.8112.783.6-52.7171.7000115.4I397I395-I397 HydrophobicContact CG2-CD1 4.37Å; I395-I397 HydrophobicContact CG2-CG1 4.44Å
396E33Very low35.1Very low198 Ų198154.9 Ų154.993%0.92578%0.776SS**  -153.2144.3129.3-118.5174.4-163.600111.2
397I33.6Very low35.2Very low141 Ų141153.4 Ų153.472%0.72377%0.769SS**  trans-111.6175-165-69.9165.5000108.8I395I395-I397 HydrophobicContact CG2-CD1 4.37Å; I395-I397 HydrophobicContact CG2-CG1 4.44Å
398V33.8Very low35.3Very low127 Ų127149.2 Ų149.277%0.7776%0.76SS**  trans113.6128.4153.3-178.10000111.9
399H30.8Very low34.8Very low162 Ų162150.9 Ų150.975%0.7576%0.759SS**  cis-160.7151.6-7.5-142.6-104.1000106.9
400F37.7Very low34.1Very low194 Ų194152.8 Ų152.885%0.85176%0.759SS**  trans-82.9144.5156.5-96.8-100.2000109
401V35.2Very low34.3Very low127 Ų127148.4 Ų148.477%0.7775%0.752SS**  trans-132.6119.6152.7176.60000108.2
402E39.7Very low34.5Very low177 Ų177146.2 Ų146.283%0.82775%0.747SS**  trans-104.5137.3163.2-175.2175.3-143.100105.4
403E34.5Very low34.6Very low183 Ų183145.1 Ų145.186%0.85575%0.746SS**  trans-164.1109.9158.3-112.5179.9-17900104.4
404D30.6Very low35Very low158 Ų158152.8 Ų152.885%0.84577%0.77SS**  79.5117.951.9-15018.2000113.4
405G31.4Very low35.2Very low53 Ų53150.6 Ų150.655%0.54677%0.765SS.*  trans98.5132.2135.700000121.2
406F31.9Very low35.1Very low183 Ų183151.4 Ų151.480%0.80377%0.769SS**  trans83.2137.9148.9-75.9-104.3000118.5
407E33.3Very low35.2Very low144 Ų144148.8 Ų148.867%0.67376%0.761SS**  cis-175.9152.2-13-120-167.917400106.3
408V34.2Very low35.3Very low106 Ų106149.2 Ų149.264%0.64276%0.763SS**  trans62.4112.8138.3-179.40000119.3
409M33.8Very low35.4Very low149 Ų149150.6 Ų150.673%0.73476%0.762SS**  158.3128.291.2-144.4147.246.800114.3
410E36.4Very low35.7Very low140 Ų140149.9 Ų149.965%0.65476%0.763SS**  trans65.7126.8136.6-79.4-173.4135.700125.1
411N34.3Very low35.5Very low125 Ų125146.7 Ų146.767%0.66876%0.757SS**  69.7145.8127.2-63.4-13.6000118.6
412S38.4Very low35.6Very low85 Ų85148.2 Ų148.259%0.59476%0.756SS**  cis-176.9154.4-7.3-96.20000106.1
413L39.9Very low35.2Very low147 Ų147145.8 Ų145.877%0.7775%0.75SS**  trans48.3118146.6-75.9148.6000119.5
414F44Very low35.3Very low277 Ų277142.5 Ų142.5100%1.21574%0.74SS**  -162.2099.4-98.8-73.1000111

Retrieved 414 of 414 residues in 827.7 ms (Link to these results)