A0A096M774_POEFO Loading...

Nicotinamide riboside kinase 1

AlphaFold DB , UniProt , Accession A0A096M774, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 201 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
1M81.4Confident95.9Very high133 Ų13325 Ų2566%0.65513%0.125SC*.  0129.30-65.8-177.9-81.500108.6P77 H78 Y98M1-P77 HydrophobicContact SD-CG 4.49Å; M1-H78 HydrophobicContact SD-CB 4.39Å; M1-Y98 HydrophobicContact CB-CD2 4.42Å; M1-Y98 HydrophobicContact CB-CE2 4.29Å; M1-Y98 HydrophobicContact CG-CE2 4.07Å; M1-Y98 HydrophobicContact SD-CE2 3.91Å
2K91.2Very high96Very high88 Ų8824.4 Ų24.438%0.38312%0.124SC..EExtended strand (participates in β ladder)trans-98.3146.1175-65171.2-177.4170.80108.2E96 L97 Y98 L197K2-E96 PolarHBondContact N-O 3Å; K2-L97 HydrophobicContact CB-CB 4.3Å; K2-L97 HydrophobicContact CB-CD1 4.09Å; K2-L97 HydrophobicContact CB-CG 4.2Å; K2-L97 VanDerWaalsContact O-CA 3.31Å; K2-L97 WeakPolarHBondContact O-CA 3.5Å; K2-Y98 PolarHBondContact O-N 3.14Å; K2-L197 HydrophobicContact CD-CB 4.46Å; K2-L197 WeakPolarHBondContact CD-O 3.46Å; K2-L197 WeakPolarHBondContact CE-O 3.17Å; K2-L197 PolarHBondContact NZ-O 3.43Å
3T95.6Very high96Very high47 Ų4724.8 Ų24.829%0.28813%0.126SC..EExtended strand (participates in β ladder)trans-134146.7-177.556.10000110.4W73 P77 Y98T3-W73 HydrophobicContact CG2-CH2 4Å; T3-W73 HydrophobicContact CG2-CZ3 4.24Å; T3-P77 HydrophobicContact CG2-CG 4.01Å; T3-Y98 CarbonylContact C-O 3.53Å; T3-Y98 VanDerWaalsContact CA-O 3.32Å; T3-Y98 WeakPolarHBondContact CA-O 3.47Å
4I97.7Very high95.9Very high1 Ų123.3 Ų23.31%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-129.3133.8167-54.9176.1000108.2V6 L97 Y98 V99 L100 D118 E193 I194 L197I4-V6 HydrophobicContact CG2-CG2 3.82Å; I4-L97 HydrophobicContact CD1-CD1 4.13Å; I4-L97 HydrophobicContact CD1-CD2 4.06Å; I4-L97 HydrophobicContact CG1-CD1 4.32Å; I4-L97 HydrophobicContact CG1-CD2 4.28Å; I4-Y98 PolarHBondContact N-O 2.77Å; I4-V99 HydrophobicContact CB-CG2 4.36Å; I4-V99 CarbonylContact O-C 3.57Å; I4-V99 WeakPolarHBondContact O-CA 3.42Å; I4-L100 PolarHBondContact O-N 3.17Å; I4-D118 WeakPolarHBondContact CA-OD2 3.32Å; I4-D118 HydrophobicContact CG2-CB 4.09Å; I4-E193 HydrophobicContact CD1-CG 4.1Å; I4-I194 HydrophobicContact CD1-CB 4.38Å; I4-I194 HydrophobicContact CD1-CG1 3.45Å; I4-I194 VanDerWaalsContact CD1-CG1 3.45Å; I4-L197 HydrophobicContact CD1-CD1 3.72Å; I4-L197 HydrophobicContact CG1-CD1 3.44Å; I4-L197 VanDerWaalsContact CG1-CD1 3.44Å
5I98.6Very high95.9Very high2 Ų223.7 Ų23.71%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-111.5113.2170.6-51.7-176000108.7W73 K74 L100 V102 M116 F117 D118 M119I5-W73 HydrophobicContact CD1-CE3 4.34Å; I5-W73 HydrophobicContact CD1-CZ3 3.98Å; I5-W73 HydrophobicContact CG1-CE3 4.33Å; I5-W73 HydrophobicContact CG1-CH2 4.31Å; I5-W73 HydrophobicContact CG1-CZ3 3.6Å; I5-K74 HydrophobicContact CD1-CD 4.13Å; I5-L100 CarbonylContact C-O 3.35Å; I5-L100 WeakPolarHBondContact CA-O 3.31Å; I5-L100 HydrophobicContact CD1-CD2 4.49Å; I5-L100 HydrophobicContact CG1-CB 4.24Å; I5-L100 HydrophobicContact CG2-CB 4.23Å; I5-L100 HydrophobicContact CG2-CD2 4.14Å; I5-L100 HydrophobicContact CG2-CG 4.38Å; I5-V102 HydrophobicContact CG2-CG2 4.02Å; I5-M116 HydrophobicContact CD1-CB 4.24Å; I5-M116 HydrophobicContact CD1-CE 4.41Å; I5-F117 HydrophobicContact CG2-CD1 3.66Å; I5-F117 HydrophobicContact CG2-CE1 3.87Å; I5-D118 PolarHBondContact N-OD2 3.17Å; I5-D118 PolarHBondContact O-N 2.82Å; I5-M119 PolarHBondContact O-N 3.24Å
6V98.8Very high96Very high0 Ų023.4 Ų23.40%013%0.129CC..EExtended strand (participates in β ladder)trans-102122.5-179.9-179.20000109.5I4 V8 V99 L100 I101 V102 M119 Y121 I190I4-V6 HydrophobicContact CG2-CG2 3.82Å; V6-V8 HydrophobicContact CG1-CG2 4.23Å; V6-V99 HydrophobicContact CG2-CG1 4.05Å; V6-L100 PolarHBondContact N-O 3.49Å; V6-I101 WeakPolarHBondContact O-CA 3.41Å; V6-V102 PolarHBondContact O-N 3.2Å; V6-M119 HydrophobicContact CG2-CB 4.41Å; V6-Y121 HydrophobicContact CG1-CD2 3.7Å; V6-Y121 HydrophobicContact CG1-CE2 3.65Å; V6-I190 HydrophobicContact CG1-CD1 4.01Å; V6-I190 HydrophobicContact CG2-CD1 4.16Å; V6-I190 HydrophobicContact CG2-CG1 4.3Å; V6-I190 HydrophobicContact CG2-CG2 4.5Å
7G98.8Very high96.1Very high0 Ų025.4 Ų25.40%015%0.145CC..EExtended strand (participates in β ladder)trans-91123.9170.200000111.4V102 M119 Y121G7-V102 CarbonylContact C-O 3.55Å; G7-V102 WeakPolarHBondContact CA-O 3.3Å; G7-M119 PolarHBondContact N-O 2.82Å; G7-Y121 PolarHBondContact O-N 3.48Å
8V98.8Very high96.2Very high1 Ų127.9 Ų27.91%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-11186.9172.3-177.30000109.2V6 K16 L19 L23 I101 V102 E103 G104V6-V8 HydrophobicContact CG1-CG2 4.23Å; V8-K16 HydrophobicContact CG1-CB 4.19Å; V8-K16 HydrophobicContact CG1-CG 4.49Å; V8-L19 HydrophobicContact CG1-CB 4.43Å; V8-L19 HydrophobicContact CG1-CD2 3.85Å; V8-L19 HydrophobicContact CG1-CG 4.24Å; V8-L23 HydrophobicContact CG2-CD1 4.35Å; V8-I101 HydrophobicContact CG2-CG2 3.97Å; V8-V102 PolarHBondContact N-O 3.35Å; V8-E103 HydrophobicContact CB-CB 4.15Å; V8-E103 WeakPolarHBondContact O-CA 3.49Å; V8-G104 PolarHBondContact O-N 2.92Å
9G98.5Very high96.4Very high1 Ų126.6 Ų26.61%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-87.2176176.500000113G104 Y121 F122 L123G9-G104 WeakPolarHBondContact CA-O 3.35Å; G9-Y121 WeakPolarHBondContact CA-O 3.43Å; G9-Y121 PolarHBondContact N-O 3Å; G9-F122 WeakPolarHBondContact O-CA 3.26Å; G9-L123 PolarHBondContact O-N 3.09Å
10G98.1Very high96.5Very high1 Ų125.3 Ų25.31%0.0115%0.146CC..EExtended strand (participates in β ladder)trans143.7169.4171.200000114.4K16 F105 F122 L123G10-K16 PolarHBondContact O-NZ 3.45Å; G10-F105 WeakPolarHBondContact O-CA 3.48Å; G10-F105 WeakPolarHBondContact O-CB 3.34Å; G10-F122 VanDerWaalsContact N-CD2 3.33Å; G10-L123 CarbonylContact C-O 3.55Å; G10-L123 WeakPolarHBondContact CA-O 3.42Å
11V98Very high96.6Very high1 Ų128 Ų281%0.00616%0.158CC..SBendtrans-59.4152.6179.669.40000112.1G14 K16 L123 I125 W153 Y156V11-G14 PolarHBondContact O-N 2.96Å; V11-G14 VanDerWaalsContact O-N 3.09Å; V11-K16 PolarHBondContact O-NZ 3.26Å; V11-L123 PolarHBondContact N-O 2.81Å; V11-I125 HydrophobicContact CG1-CD1 4.2Å; V11-I125 HydrophobicContact CG1-CG1 3.39Å; V11-W153 HydrophobicContact CG2-CZ3 3.99Å; V11-Y156 HydrophobicContact CB-CD2 4.03Å; V11-Y156 HydrophobicContact CB-CE2 3.66Å; V11-Y156 HydrophobicContact CG2-CD1 4.23Å; V11-Y156 HydrophobicContact CG2-CD2 3.77Å; V11-Y156 HydrophobicContact CG2-CE1 4.27Å; V11-Y156 HydrophobicContact CG2-CE2 3.81Å; V11-Y156 HydrophobicContact CG2-CG 3.99Å
12T96.3Very high97.4Very high18 Ų1823.9 Ų23.911%0.1114%0.136CC..THydrogen-bonded Turntrans-53.4142.6172.2-167.40000111.2G14 C130 Y139 F148 V152T12-G14 PolarHBondContact O-N 3.42Å; T12-C130 VanDerWaalsContact CG2-SG 3.58Å; T12-C130 PolarHBondContact O-SG 3.36Å; T12-Y139 PolarHBondContact OG1-OH 3.43Å; T12-F148 HydrophobicContact CG2-CE2 4.38Å; T12-V152 HydrophobicContact CG2-CG1 3.93Å
13N95.8Very high97.7Very high29 Ų2919.7 Ų19.716%0.15512%0.118CC..THydrogen-bonded Turntrans53.420.5-174.2-57.272.3000115.3R133 Y139N13-R133 HydrophobicContact CB-CB 3.78Å; N13-R133 PolarHBondContact ND2-O 2.98Å; N13-R133 WeakPolarHBondContact O-CD 3.4Å; N13-R133 PolarHBondContact O-NH1 3.23Å; N13-Y139 PolarHBondContact OD1-OH 3.12Å
14G94.9Very high97.8Very high4 Ų419.8 Ų19.84%0.04112%0.115CC..SBendtrans-77.6-15.1178.900000115.5V11 T12V11-G14 PolarHBondContact O-N 2.96Å; V11-G14 VanDerWaalsContact O-N 3.09Å; T12-G14 PolarHBondContact O-N 3.42Å
15G96.2Very high97.8Very high30 Ų3026.3 Ų26.331%0.30915%0.145SC..SBendtrans108.39.6179.200000116S17 T18 L19G15-S17 PolarHBondContact O-N 2.98Å; G15-T18 WeakPolarHBondContact O-CB 3.38Å; G15-T18 PolarHBondContact O-N 3.36Å; G15-T18 VanDerWaalsContact O-N 3.07Å; G15-L19 PolarHBondContact O-N 3.25Å; G15-L19 VanDerWaalsContact O-N 3.09Å
16K98.1Very high97.6Very high18 Ų1831.4 Ų31.48%0.07817%0.167CC..Hα-helixtrans-46.6-59-179.6-60.5-177.1-70.2-83.20113.3V8 G10 V11 T18 L19 S20 G104 L123V8-K16 HydrophobicContact CG1-CB 4.19Å; V8-K16 HydrophobicContact CG1-CG 4.49Å; G10-K16 PolarHBondContact O-NZ 3.45Å; V11-K16 PolarHBondContact O-NZ 3.26Å; K16-T18 PolarHBondContact O-N 3.44Å; K16-T18 VanDerWaalsContact O-N 3.13Å; K16-L19 WeakPolarHBondContact O-CA 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.41Å; K16-S20 PolarHBondContact O-N 3.4Å; K16-S20 PolarHBondContact O-OG 3.01Å; K16-S20 VanDerWaalsContact O-OG 3.07Å; K16-G104 WeakPolarHBondContact CD-O 3.47Å; K16-L123 HydrophobicContact CG-CD1 4.18Å
17S97.6Very high97.4Very high57 Ų5732 Ų3240%0.39917%0.171SC..Hα-helixtrans-62-27.6-177.9-46.40000113.7G15 Q21 E103G15-S17 PolarHBondContact O-N 2.98Å; S17-Q21 WeakPolarHBondContact O-CB 3.21Å; S17-Q21 PolarHBondContact O-N 3.45Å; S17-E103 WeakPolarHBondContact CA-OE2 3.34Å; S17-E103 VanDerWaalsContact CB-OE1 3.31Å; S17-E103 WeakPolarHBondContact CB-OE1 3.23Å; S17-E103 PolarHBondContact N-OE2 2.87Å; S17-E103 PolarHBondContact OG-OE1 3.13Å; S17-E103 PolarHBondContact OG-OE2 3.37Å
18T97.9Very high97Very high71 Ų7139.9 Ų39.944%0.43621%0.207SC..Hα-helixtrans-70.7-43.8173.1-590000111.4G15 K16 F22G15-T18 WeakPolarHBondContact O-CB 3.38Å; G15-T18 PolarHBondContact O-N 3.36Å; G15-T18 VanDerWaalsContact O-N 3.07Å; K16-T18 PolarHBondContact O-N 3.44Å; K16-T18 VanDerWaalsContact O-N 3.13Å; T18-F22 WeakPolarHBondContact O-CB 3.35Å; T18-F22 PolarHBondContact O-N 3.5Å
19L98.6Very high96.8Very high3 Ų341.7 Ų41.72%0.01622%0.216CC..Hα-helixtrans-64.8-48.9176173.558.8000111.1V8 G15 K16 Q21 F22 L23 L123 L173 L183 V186V8-L19 HydrophobicContact CG1-CB 4.43Å; V8-L19 HydrophobicContact CG1-CD2 3.85Å; V8-L19 HydrophobicContact CG1-CG 4.24Å; G15-L19 PolarHBondContact O-N 3.25Å; G15-L19 VanDerWaalsContact O-N 3.09Å; K16-L19 WeakPolarHBondContact O-CA 3.27Å; K16-L19 WeakPolarHBondContact O-CB 3.43Å; K16-L19 PolarHBondContact O-N 3.41Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.42Å; L19-F22 WeakPolarHBondContact O-CB 3.38Å; L19-F22 PolarHBondContact O-N 2.86Å; L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CD2 4.49Å; L19-L23 HydrophobicContact CD1-CG 4.02Å; L19-L23 HydrophobicContact CG-CD1 4.13Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.46Å; L19-L123 HydrophobicContact CB-CD1 4.46Å; L19-L123 HydrophobicContact CD2-CD1 4.2Å; L19-L173 HydrophobicContact CD2-CD1 3.96Å; L19-L183 HydrophobicContact CB-CD2 4.07Å; L19-L183 HydrophobicContact CD1-CD2 3.59Å; L19-L183 HydrophobicContact CG-CD2 4.44Å; L19-V186 HydrophobicContact CD1-CB 3.93Å; L19-V186 HydrophobicContact CD1-CG1 3.97Å; L19-V186 HydrophobicContact CD1-CG2 4.19Å; L19-V186 HydrophobicContact CD2-CG1 4.31Å; L19-V186 HydrophobicContact CD2-CG2 4.12Å
20S98.6Very high96.7Very high0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-57.6-45.5178.5-53.40000112K16 L23 H24 I32 E103K16-S20 PolarHBondContact O-N 3.4Å; K16-S20 PolarHBondContact O-OG 3.01Å; K16-S20 VanDerWaalsContact O-OG 3.07Å; S20-L23 PolarHBondContact O-N 3.12Å; S20-H24 WeakPolarHBondContact O-CB 3.46Å; S20-H24 PolarHBondContact O-N 3.13Å; S20-I32 WeakPolarHBondContact O-CD1 3.19Å; S20-E103 VanDerWaalsContact CB-OE2 3.32Å; S20-E103 WeakPolarHBondContact CB-OE2 3.18Å; S20-E103 WeakPolarHBondContact OG-CB 3.48Å; S20-E103 PolarHBondContact OG-OE2 3.15Å
21Q98.4Very high96.6Very high84 Ų8442 Ų4239%0.39322%0.218SC..Hα-helixtrans-66.1-39.6178-173.360.837.800112.5S17 L19 H24 Q25S17-Q21 WeakPolarHBondContact O-CB 3.21Å; S17-Q21 PolarHBondContact O-N 3.45Å; L19-Q21 VanDerWaalsContact C-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.42Å; Q21-H24 PolarHBondContact O-N 3.43Å; Q21-Q25 VanDerWaalsContact O-CG 3.28Å; Q21-Q25 WeakPolarHBondContact O-CG 3.18Å; Q21-Q25 PolarHBondContact O-N 3.4Å
22F98.5Very high96.6Very high45 Ų4543.6 Ų43.620%0.19723%0.227CC..Hα-helixtrans-61.8-47175.4170.5-97000111.4T18 L19 H24 Q25 K26 L183 Y187T18-F22 WeakPolarHBondContact O-CB 3.35Å; T18-F22 PolarHBondContact O-N 3.5Å; L19-F22 WeakPolarHBondContact O-CB 3.38Å; L19-F22 PolarHBondContact O-N 2.86Å; F22-H24 PolarHBondContact O-N 2.94Å; F22-Q25 PolarHBondContact O-N 3.25Å; F22-K26 HydrophobicContact CD2-CG 4.4Å; F22-K26 HydrophobicContact CE1-CG 4.3Å; F22-K26 HydrophobicContact CE2-CG 4.04Å; F22-K26 HydrophobicContact CZ-CG 3.99Å; F22-K26 WeakPolarHBondContact O-CG 3.35Å; F22-K26 PolarHBondContact O-N 2.92Å; F22-K26 VanDerWaalsContact O-N 3.16Å; F22-L183 HydrophobicContact CB-CD1 4.22Å; F22-L183 HydrophobicContact CB-CD2 3.9Å; F22-L183 HydrophobicContact CD1-CB 3.83Å; F22-L183 HydrophobicContact CD1-CD1 4.35Å; F22-L183 HydrophobicContact CD1-CD2 3.9Å; F22-L183 HydrophobicContact CD1-CG 4.23Å; F22-L183 HydrophobicContact CD2-CB 4.5Å; F22-L183 HydrophobicContact CD2-CD1 3.87Å; F22-L183 HydrophobicContact CE1-CB 3.71Å; F22-L183 WeakPolarHBondContact CE1-O 3.11Å; F22-L183 HydrophobicContact CE2-CB 4.39Å; F22-L183 HydrophobicContact CE2-CD1 4.29Å; F22-L183 HydrophobicContact CG-CB 4.22Å; F22-L183 HydrophobicContact CG-CD1 3.88Å; F22-L183 HydrophobicContact CG-CD2 3.94Å; F22-L183 HydrophobicContact CG-CG 4.23Å; F22-L183 HydrophobicContact CZ-CB 4.01Å; F22-Y187 HydrophobicContact CE1-CG 4.46Å
23L98.3Very high96.8Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-60.1-46.4177.1-69174.5000111.2V8 L19 S20 Q25 K26 I27 I101 V186 Y187 I190V8-L23 HydrophobicContact CG2-CD1 4.35Å; L19-L23 HydrophobicContact CD1-CD1 4.02Å; L19-L23 HydrophobicContact CD1-CD2 4.49Å; L19-L23 HydrophobicContact CD1-CG 4.02Å; L19-L23 HydrophobicContact CG-CD1 4.13Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.12Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.4Å; L23-K26 PolarHBondContact O-N 2.96Å; L23-I27 HydrophobicContact CB-CD1 4.24Å; L23-I27 HydrophobicContact CD2-CD1 4.27Å; L23-I27 WeakPolarHBondContact O-CB 3.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.25Å; L23-I101 HydrophobicContact CB-CD1 3.65Å; L23-V186 HydrophobicContact CD1-CG1 4.01Å; L23-V186 HydrophobicContact CD2-CG1 4.24Å; L23-Y187 HydrophobicContact CD2-CD2 4.3Å; L23-I190 HydrophobicContact CD1-CD1 3.66Å; L23-I190 HydrophobicContact CD2-CD1 3.71Å; L23-I190 HydrophobicContact CG-CD1 4.29Å
24H97.2Very high96.9Very high50 Ų5042.5 Ų42.523%0.23122%0.223CC..Hα-helixtrans-60.1-38178.117947.7000113S20 Q21 F22 K26 S30 I32 I101S20-H24 WeakPolarHBondContact O-CB 3.46Å; S20-H24 PolarHBondContact O-N 3.13Å; Q21-H24 PolarHBondContact O-N 3.43Å; F22-H24 PolarHBondContact O-N 2.94Å; H24-K26 VanDerWaalsContact C-N 3.3Å; H24-K26 PolarHBondContact O-N 3.39Å; H24-S30 WeakPolarHBondContact CA-OG 3.08Å; H24-S30 PolarHBondContact CE1-O 3.24Å; H24-S30 PolarHBondContact ND1-O 3.33Å; H24-S30 PolarHBondContact ND1-OG 2.94Å; H24-S30 PolarHBondContact O-OG 2.69Å; H24-I32 HydrophobicContact CB-CD1 3.63Å; H24-I32 HydrophobicContact CB-CG1 3.81Å; H24-I101 HydrophobicContact CB-CD1 4.05Å
25Q96.8Very high97.1Very high137 Ų13742.3 Ų42.364%0.6422%0.221SC*.Hα-helixtrans-69.8-25.8176.2-74171.7-3.300113.5Q21 F22 L23Q21-Q25 VanDerWaalsContact O-CG 3.28Å; Q21-Q25 WeakPolarHBondContact O-CG 3.18Å; Q21-Q25 PolarHBondContact O-N 3.4Å; F22-Q25 PolarHBondContact O-N 3.25Å; L23-Q25 VanDerWaalsContact C-N 3.3Å; L23-Q25 PolarHBondContact O-N 3.4Å
26K96.1Very high97.1Very high110 Ų11043.7 Ų43.748%0.47822%0.221SC..Hα-helixtrans-98.6-23.5-175.3-70.1-68.4-173.2176.30113.8F22 L23 H24 Y187F22-K26 HydrophobicContact CD2-CG 4.4Å; F22-K26 HydrophobicContact CE1-CG 4.3Å; F22-K26 HydrophobicContact CE2-CG 4.04Å; F22-K26 HydrophobicContact CZ-CG 3.99Å; F22-K26 WeakPolarHBondContact O-CG 3.35Å; F22-K26 PolarHBondContact O-N 2.92Å; F22-K26 VanDerWaalsContact O-N 3.16Å; L23-K26 PolarHBondContact O-N 2.96Å; H24-K26 VanDerWaalsContact C-N 3.3Å; H24-K26 PolarHBondContact O-N 3.39Å; K26-Y187 HydrophobicContact CB-CD2 3.88Å; K26-Y187 HydrophobicContact CB-CE2 3.52Å; K26-Y187 HydrophobicContact CG-CE2 4.48Å
27I94.5Very high97.1Very high13 Ų1347.8 Ų47.87%0.06725%0.248CC..SBendtrans-105.4116.9-176.2-60.3172.2000108.4L23 S30 V99 Y187 I190 I194L23-I27 HydrophobicContact CB-CD1 4.24Å; L23-I27 HydrophobicContact CD2-CD1 4.27Å; L23-I27 WeakPolarHBondContact O-CB 3.44Å; L23-I27 WeakPolarHBondContact O-CG1 3.35Å; L23-I27 PolarHBondContact O-N 3.25Å; I27-S30 WeakPolarHBondContact O-CB 3.45Å; I27-S30 PolarHBondContact O-OG 2.79Å; I27-V99 HydrophobicContact CG2-CB 3.92Å; I27-V99 HydrophobicContact CG2-CG1 4.49Å; I27-V99 HydrophobicContact CG2-CG2 3.63Å; I27-Y187 HydrophobicContact CG1-CD2 4.18Å; I27-Y187 HydrophobicContact CG1-CE2 3.89Å; I27-I190 HydrophobicContact CD1-CD1 4.5Å; I27-I190 HydrophobicContact CD1-CG2 3.78Å; I27-I194 HydrophobicContact CG2-CD1 4.17Å
28H90.6Very high97.1Very high165 Ų16546 Ų4676%0.76423%0.233SC*.THydrogen-bonded Turntrans-63.5156.1173.4-60.6162.9000111.1S30H28-S30 PolarHBondContact O-N 2.65Å; H28-S30 VanDerWaalsContact O-N 3.17Å
29N93.6Very high97.1Very high38 Ų3845.9 Ų45.920%0.20323%0.226CC..THydrogen-bonded Turntrans53.637.1178-65.4-13.9000113.4L81 E96 Y98 V99N29-L81 HydrophobicContact CB-CD1 4.3Å; N29-E96 PolarHBondContact ND2-OE2 3.2Å; N29-Y98 HydrophobicContact CB-CD1 3.7Å; N29-Y98 HydrophobicContact CB-CE1 3.93Å; N29-Y98 HydrophobicContact CB-CG 4.43Å; N29-Y98 WeakPolarHBondContact O-CA 3.36Å; N29-V99 PolarHBondContact O-N 3.49Å; N29-V99 VanDerWaalsContact O-N 3.1Å
30S95.9Very high97.1Very high5 Ų548.8 Ų48.84%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-108156.9179.566.80000113H24 I27 H28 V99H24-S30 WeakPolarHBondContact CA-OG 3.08Å; H24-S30 PolarHBondContact CE1-O 3.24Å; H24-S30 PolarHBondContact ND1-O 3.33Å; H24-S30 PolarHBondContact ND1-OG 2.94Å; H24-S30 PolarHBondContact O-OG 2.69Å; I27-S30 WeakPolarHBondContact O-CB 3.45Å; I27-S30 PolarHBondContact O-OG 2.79Å; H28-S30 PolarHBondContact O-N 2.65Å; H28-S30 VanDerWaalsContact O-N 3.17Å; S30-V99 CarbonylContact C-O 3.56Å; S30-V99 WeakPolarHBondContact CA-O 3.4Å
31C97Very high97Very high4 Ų453.1 Ų53.13%0.02726%0.262CS..EExtended strand (participates in β ladder)trans-142.3154172.7-171.20000110.6L81 L86 V99 L100 I101C31-L81 HydrophobicContact CB-CD2 3.58Å; C31-L86 HydrophobicContact CB-CD1 4.05Å; C31-L86 VanDerWaalsContact SG-CD1 3.6Å; C31-V99 PolarHBondContact N-O 2.67Å; C31-L100 HydrophobicContact CB-CD1 4.32Å; C31-I101 PolarHBondContact O-N 2.67Å
32I98.6Very high96.8Very high35 Ų3551.5 Ų51.518%0.17926%0.256CS..EExtended strand (participates in β ladder)trans-109.3134.5173.6-55.7173.1000109.8S20 H24 I101 E103S20-I32 WeakPolarHBondContact O-CD1 3.19Å; H24-I32 HydrophobicContact CB-CD1 3.63Å; H24-I32 HydrophobicContact CB-CG1 3.81Å; I32-I101 CarbonylContact C-O 3.58Å; I32-I101 VanDerWaalsContact CA-O 3.27Å; I32-I101 WeakPolarHBondContact CA-O 3.41Å; I32-I101 HydrophobicContact CG1-CB 4.26Å; I32-I101 HydrophobicContact CG1-CD1 4.35Å; I32-E103 HydrophobicContact CG2-CG 4.26Å
33I98.6Very high96.6Very high2 Ų258 Ų581%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-116.3116.3162.7-63.9179.9000107.3Y38 M66 E69 V70 F80 L100 I101 V102 E103I33-Y38 HydrophobicContact CG2-CE2 3.8Å; I33-Y38 WeakPolarHBondContact CG2-OH 3.34Å; I33-M66 HydrophobicContact CG2-CE 4.13Å; I33-M66 HydrophobicContact CG2-CG 4.2Å; I33-E69 HydrophobicContact CD1-CB 4.18Å; I33-E69 HydrophobicContact CD1-CG 3.7Å; I33-E69 HydrophobicContact CG1-CG 4.41Å; I33-E69 WeakPolarHBondContact CG1-OE1 3.34Å; I33-V70 HydrophobicContact CD1-CG2 3.84Å; I33-F80 HydrophobicContact CD1-CZ 4.44Å; I33-L100 HydrophobicContact CD1-CD1 3.81Å; I33-L100 HydrophobicContact CD1-CD2 4.16Å; I33-L100 HydrophobicContact CG1-CD1 3.88Å; I33-I101 PolarHBondContact N-O 3Å; I33-V102 WeakPolarHBondContact O-CA 3.43Å; I33-E103 PolarHBondContact O-N 3.1Å
34A98.6Very high96.5Very high21 Ų2162.6 Ų62.617%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-103.3121.8-176.900000111.1D36 T37 Y38 E103A34-D36 PolarHBondContact O-N 3.21Å; A34-T37 HydrophobicContact CB-CG2 4.31Å; A34-T37 PolarHBondContact O-N 3.19Å; A34-T37 PolarHBondContact O-OG1 3.01Å; A34-Y38 WeakPolarHBondContact O-CD2 3.26Å; A34-Y38 WeakPolarHBondContact O-CE2 3.38Å; A34-E103 HydrophobicContact CB-CG 3.87Å
35Q98.6Very high96.4Very high1 Ų160.4 Ų60.41%0.00530%0.302CS..G310 helixtrans-56.4-33.9-179.3-174.2173.247.400112.6T37 Y38 L61 M66 E103 I107Q35-T37 PolarHBondContact O-N 3.29Å; Q35-T37 VanDerWaalsContact O-N 3.08Å; Q35-Y38 PolarHBondContact O-N 3.26Å; Q35-L61 HydrophobicContact CG-CD1 3.9Å; Q35-L61 HydrophobicContact CG-CD2 3.94Å; Q35-M66 HydrophobicContact CB-CE 3.99Å; Q35-M66 HydrophobicContact CB-SD 4.15Å; Q35-M66 HydrophobicContact CG-CE 4.46Å; Q35-M66 HydrophobicContact CG-SD 4.06Å; Q35-E103 VanDerWaalsContact CB-O 3.26Å; Q35-E103 WeakPolarHBondContact CB-O 3.47Å; Q35-E103 PolarHBondContact N-O 3.27Å; Q35-I107 HydrophobicContact CB-CG2 4.01Å; Q35-I107 HydrophobicContact CG-CG2 4.35Å
36D97.4Very high96.4Very high59 Ų5957.6 Ų57.632%0.31630%0.296SS..G310 helixtrans-60.7-18.1179.2-7112.2000112.7A34 Y38 F39A34-D36 PolarHBondContact O-N 3.21Å; D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 3.26Å; D36-F39 HydrophobicContact CB-CE2 4.41Å; D36-F39 WeakPolarHBondContact O-CD2 3.41Å
37T97.6Very high96.4Very high103 Ų10356 Ų5663%0.63230%0.295SS*.G310 helixtrans-81-5.4175.466.80000113.7A34 Q35A34-T37 HydrophobicContact CB-CG2 4.31Å; A34-T37 PolarHBondContact O-N 3.19Å; A34-T37 PolarHBondContact O-OG1 3.01Å; Q35-T37 PolarHBondContact O-N 3.29Å; Q35-T37 VanDerWaalsContact O-N 3.08Å
38Y98.3Very high96.4Very high21 Ų2157.5 Ų57.58%0.08230%0.303CS..G310 helixtrans-110.814.9-176.3-59.6-89.9000113.1I33 A34 Q35 D36 K40 L61 H62 E65 M66 E69I33-Y38 HydrophobicContact CG2-CE2 3.8Å; I33-Y38 WeakPolarHBondContact CG2-OH 3.34Å; A34-Y38 WeakPolarHBondContact O-CD2 3.26Å; A34-Y38 WeakPolarHBondContact O-CE2 3.38Å; Q35-Y38 PolarHBondContact O-N 3.26Å; D36-Y38 VanDerWaalsContact C-N 3.26Å; D36-Y38 PolarHBondContact O-N 3.26Å; Y38-K40 PolarHBondContact O-N 3.12Å; Y38-L61 CarbonylContact O-C 3.18Å; Y38-L61 WeakPolarHBondContact O-CA 3.5Å; Y38-H62 PolarHBondContact O-N 2.94Å; Y38-E65 HydrophobicContact CD1-CB 4.24Å; Y38-E65 HydrophobicContact CE1-CB 4.4Å; Y38-M66 HydrophobicContact CD1-CB 3.78Å; Y38-M66 HydrophobicContact CD2-CB 3.93Å; Y38-M66 HydrophobicContact CD2-CG 3.86Å; Y38-M66 HydrophobicContact CD2-SD 4.09Å; Y38-M66 VanDerWaalsContact CE1-CA 3.45Å; Y38-M66 HydrophobicContact CE1-CB 3.86Å; Y38-M66 HydrophobicContact CE1-CG 4.42Å; Y38-M66 HydrophobicContact CE2-CB 3.98Å; Y38-M66 HydrophobicContact CE2-CG 3.69Å; Y38-M66 HydrophobicContact CE2-SD 4.36Å; Y38-M66 HydrophobicContact CG-CB 3.81Å; Y38-M66 HydrophobicContact CG-CG 4.27Å; Y38-E69 PolarHBondContact OH-OE1 3.19Å; Y38-E69 PolarHBondContact OH-OE2 3.24Å
39F98.1Very high96.6Very high68 Ų6855.5 Ų55.530%0.29831%0.308SS..BIsolated β-bridgetrans-58.5136.9170.4-84.1-68000110.7D36 Y55 A60 L61 F105D36-F39 HydrophobicContact CB-CE2 4.41Å; D36-F39 WeakPolarHBondContact O-CD2 3.41Å; F39-Y55 AromaticContact CD1-CD1 3.71Å; F39-Y55 HydrophobicContact CD1-CD1 3.71Å; F39-Y55 HydrophobicContact CD1-CE1 4.25Å; F39-Y55 AromaticContact CE1-CD1 3.73Å; F39-Y55 HydrophobicContact CE1-CD1 3.73Å; F39-Y55 HydrophobicContact CE1-CG 4.49Å; F39-Y55 WeakPolarHBondContact CE1-O 3.45Å; F39-A60 HydrophobicContact CD1-CB 4.38Å; F39-A60 HydrophobicContact CE1-CB 4.39Å; F39-L61 HydrophobicContact CD1-CD2 3.8Å; F39-L61 HydrophobicContact CD1-CG 4.31Å; F39-L61 HydrophobicContact CD2-CD2 4.32Å; F39-L61 HydrophobicContact CE1-CD2 3.93Å; F39-L61 HydrophobicContact CE1-CG 4.29Å; F39-L61 HydrophobicContact CE2-CD2 4.44Å; F39-L61 HydrophobicContact CG-CD2 4.01Å; F39-L61 HydrophobicContact CZ-CD2 4.27Å; F39-F105 HydrophobicContact CE1-CZ 4.47Å; F39-F105 HydrophobicContact CE2-CE1 4.35Å; F39-F105 AromaticContact CZ-CE1 3.67Å; F39-F105 HydrophobicContact CZ-CE1 3.67Å; F39-F105 AromaticContact CZ-CZ 3.95Å; F39-F105 HydrophobicContact CZ-CZ 3.95Å
40K97.8Very high96.5Very high64 Ų6459.1 Ų59.128%0.27833%0.327SS..PPolyproline II helixtrans-66.3159.2167.6-62.3-178-179.7170.30109.3Y38 V44 V45 D59 A60 L61Y38-K40 PolarHBondContact O-N 3.12Å; K40-V44 HydrophobicContact CB-CG2 3.59Å; K40-V44 HydrophobicContact CD-CG2 4.23Å; K40-V44 HydrophobicContact CG-CG2 4.45Å; K40-V45 HydrophobicContact CB-CG2 4.48Å; K40-D59 VanDerWaalsContact CD-O 3.29Å; K40-D59 WeakPolarHBondContact CD-O 3.47Å; K40-D59 WeakPolarHBondContact CE-O 3.28Å; K40-D59 PolarHBondContact NZ-O 2.92Å; K40-A60 WeakPolarHBondContact CG-O 3.17Å; K40-A60 PolarHBondContact N-O 3.19Å; K40-L61 WeakPolarHBondContact CE-O 3.43Å
41D96.4Very high96.4Very high91 Ų9161 Ų6149%0.48735%0.348SS..PPolyproline II helixtrans-56.8140.7175-171.1-70.8000111.3F43 V44 V45D41-F43 PolarHBondContact O-N 3.07Å; D41-F43 VanDerWaalsContact O-N 3.08Å; D41-F43 WeakPolarHBondContact OD1-CB 3.35Å; D41-F43 WeakPolarHBondContact OD1-CD2 3.34Å; D41-F43 WeakPolarHBondContact OD1-CG 3.31Å; D41-F43 PolarHBondContact OD1-N 2.9Å; D41-V44 HydrophobicContact CB-CG2 4.47Å; D41-V44 WeakPolarHBondContact O-CG2 3.37Å; D41-V44 PolarHBondContact O-N 3Å; D41-V45 PolarHBondContact O-N 3.28Å
42D94.4Very high96.4Very high50 Ų5061.8 Ų61.827%0.26735%0.351SS..G310 helixtrans-51.7-36.3-179.918074.9000111.9V44 V45 K53 Y55 P141D42-V44 PolarHBondContact O-N 3.04Å; D42-V44 VanDerWaalsContact O-N 3.17Å; D42-V45 PolarHBondContact O-N 3.49Å; D42-K53 PolarHBondContact O-NZ 2.6Å; D42-K53 WeakPolarHBondContact OD1-CE 3.35Å; D42-K53 IonicContact OD1-NZ 2.62Å; D42-K53 IonicContact OD2-NZ 2.69Å; D42-Y55 WeakPolarHBondContact CA-OH 3.48Å; D42-Y55 VanDerWaalsContact CB-OH 3.31Å; D42-Y55 WeakPolarHBondContact CB-OH 3.46Å; D42-Y55 PolarHBondContact OD1-OH 2.87Å; D42-P141 WeakPolarHBondContact OD1-CG 3.38Å
43F94.4Very high96.4Very high182 Ų18262.2 Ų62.280%0.79835%0.351SS*.G310 helixtrans-62.1-25.3-178.6-63.8-60.2000113.7D41D41-F43 PolarHBondContact O-N 3.07Å; D41-F43 VanDerWaalsContact O-N 3.08Å; D41-F43 WeakPolarHBondContact OD1-CB 3.35Å; D41-F43 WeakPolarHBondContact OD1-CD2 3.34Å; D41-F43 WeakPolarHBondContact OD1-CG 3.31Å; D41-F43 PolarHBondContact OD1-N 2.9Å
44V96Very high96.3Very high96 Ų9664 Ų6458%0.58236%0.359SS*.G310 helixtrans-100.3-10.1-179.5-560000113.4K40 D41 D42K40-V44 HydrophobicContact CB-CG2 3.59Å; K40-V44 HydrophobicContact CD-CG2 4.23Å; K40-V44 HydrophobicContact CG-CG2 4.45Å; D41-V44 HydrophobicContact CB-CG2 4.47Å; D41-V44 WeakPolarHBondContact O-CG2 3.37Å; D41-V44 PolarHBondContact O-N 3Å; D42-V44 PolarHBondContact O-N 3.04Å; D42-V44 VanDerWaalsContact O-N 3.17Å
45V96.1Very high96.3Very high4 Ų464.6 Ų64.62%0.02436%0.357CS..SBendtrans-74.1121.7175178.20000109.1K40 D41 D42 K53 Y55 A60K40-V45 HydrophobicContact CB-CG2 4.48Å; D41-V45 PolarHBondContact O-N 3.28Å; D42-V45 PolarHBondContact O-N 3.49Å; V45-K53 HydrophobicContact CB-CD 4.12Å; V45-K53 HydrophobicContact CG1-CB 4.27Å; V45-K53 HydrophobicContact CG1-CD 3.99Å; V45-K53 WeakPolarHBondContact O-CD 3.37Å; V45-K53 PolarHBondContact O-NZ 3.42Å; V45-Y55 HydrophobicContact CB-CE1 4.45Å; V45-Y55 HydrophobicContact CG1-CD1 4.32Å; V45-Y55 HydrophobicContact CG1-CD2 4.4Å; V45-Y55 HydrophobicContact CG1-CE1 4.36Å; V45-Y55 HydrophobicContact CG1-CE2 4.42Å; V45-Y55 HydrophobicContact CG1-CG 4.34Å; V45-Y55 HydrophobicContact CG2-CD1 4.26Å; V45-Y55 HydrophobicContact CG2-CE1 3.83Å; V45-A60 HydrophobicContact CG2-CB 4.42Å
46P96Very high96.2Very high77 Ų7765 Ų6550%0.536%0.36SS..  trans-69.2161-176.327.9-32.2000111.5K53 Q54P46-K53 WeakPolarHBondContact O-CA 3.36Å; P46-Q54 HydrophobicContact CG-CB 4.06Å; P46-Q54 HydrophobicContact CG-CG 4.18Å; P46-Q54 PolarHBondContact O-N 3.49Å
47V96.4Very high96.3Very high78 Ų7863.6 Ų63.647%0.47335%0.353SS..BIsolated β-bridgetrans-117.8132.9177.5-176.80000107.9G51 F52 K53V47-G51 VanDerWaalsContact CG1-CA 3.45Å; V47-F52 WeakPolarHBondContact CA-O 3.38Å; V47-K53 HydrophobicContact CG2-CD 3.74Å; V47-K53 HydrophobicContact CG2-CG 4.22Å
48D94.6Very high96.3Very high43 Ų4361 Ų6123%0.2334%0.335CS..  trans-78.8-179177.168.618.5000113N50 G51 F52 Q54D48-N50 PolarHBondContact O-N 2.87Å; D48-N50 WeakPolarHBondContact OD1-CA 3.34Å; D48-N50 WeakPolarHBondContact OD1-CB 3.26Å; D48-N50 PolarHBondContact OD1-N 3.07Å; D48-G51 PolarHBondContact O-N 3.46Å; D48-G51 VanDerWaalsContact O-N 3.07Å; D48-G51 PolarHBondContact OD1-N 3.34Å; D48-F52 PolarHBondContact N-O 2.67Å; D48-F52 PolarHBondContact OD1-N 3.17Å; D48-Q54 VanDerWaalsContact CB-NE2 3.35Å; D48-Q54 VanDerWaalsContact CG-NE2 3.31Å; D48-Q54 PolarHBondContact OD2-NE2 3.16Å
49S94.4Very high96.2Very high123 Ų12366.1 Ų66.186%0.8636%0.364SS*.THydrogen-bonded Turntrans-64.6-16.9178.457.70000114.4
50N92.3Very high96.2Very high114 Ų11463 Ų6361%0.6135%0.351SS*.THydrogen-bonded Turntrans-92.7-1.2177.2-60.1-44.6000112.2D48 F52D48-N50 PolarHBondContact O-N 2.87Å; D48-N50 WeakPolarHBondContact OD1-CA 3.34Å; D48-N50 WeakPolarHBondContact OD1-CB 3.26Å; D48-N50 PolarHBondContact OD1-N 3.07Å; N50-F52 HydrophobicContact CB-CD2 3.81Å; N50-F52 HydrophobicContact CB-CE2 3.93Å; N50-F52 HydrophobicContact CB-CG 4.43Å
51G93.8Very high96.2Very high46 Ų4660.1 Ų60.147%0.47434%0.338SS..SBendtrans84.114-177.700000113.8V47 D48V47-G51 VanDerWaalsContact CG1-CA 3.45Å; D48-G51 PolarHBondContact O-N 3.46Å; D48-G51 VanDerWaalsContact O-N 3.07Å; D48-G51 PolarHBondContact OD1-N 3.34Å
52F97Very high96.3Very high19 Ų1959.9 Ų59.98%0.08333%0.334CS..  trans-93.3129.5-179.6-61.7-36.3000111.9V47 D48 N50 Q54 P144 N146 Y147 Y151V47-F52 WeakPolarHBondContact CA-O 3.38Å; D48-F52 PolarHBondContact N-O 2.67Å; D48-F52 PolarHBondContact OD1-N 3.17Å; N50-F52 HydrophobicContact CB-CD2 3.81Å; N50-F52 HydrophobicContact CB-CE2 3.93Å; N50-F52 HydrophobicContact CB-CG 4.43Å; F52-Q54 PolarHBondContact O-NE2 2.84Å; F52-P144 HydrophobicContact CD1-CG 4.21Å; F52-N146 HydrophobicContact CZ-CB 4.34Å; F52-Y147 HydrophobicContact CB-CD2 3.86Å; F52-Y147 HydrophobicContact CB-CE2 3.82Å; F52-Y147 AromaticContact CD1-CD2 3.61Å; F52-Y147 HydrophobicContact CD1-CD2 3.61Å; F52-Y147 HydrophobicContact CD1-CE2 4.4Å; F52-Y147 HydrophobicContact CE1-CD2 4.31Å; F52-Y147 AromaticContact CG-CD2 3.83Å; F52-Y147 HydrophobicContact CG-CD2 3.83Å; F52-Y147 HydrophobicContact CG-CE2 4.31Å; F52-Y151 HydrophobicContact CB-CD2 4.42Å; F52-Y151 HydrophobicContact CB-CG 4.21Å
53K96.9Very high96.5Very high44 Ų4458.1 Ų58.119%0.19132%0.324CS..BIsolated β-bridgetrans-65.1136.1172.2-77.6-81.6-179175.40110.1D42 V45 P46 V47 Y55 Y147 Y151D42-K53 PolarHBondContact O-NZ 2.6Å; D42-K53 WeakPolarHBondContact OD1-CE 3.35Å; D42-K53 IonicContact OD1-NZ 2.62Å; D42-K53 IonicContact OD2-NZ 2.69Å; V45-K53 HydrophobicContact CB-CD 4.12Å; V45-K53 HydrophobicContact CG1-CB 4.27Å; V45-K53 HydrophobicContact CG1-CD 3.99Å; V45-K53 WeakPolarHBondContact O-CD 3.37Å; V45-K53 PolarHBondContact O-NZ 3.42Å; P46-K53 WeakPolarHBondContact O-CA 3.36Å; V47-K53 HydrophobicContact CG2-CD 3.74Å; V47-K53 HydrophobicContact CG2-CG 4.22Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 HydrophobicContact CB-CD2 3.5Å; K53-Y55 VanDerWaalsContact CB-CD2 3.5Å; K53-Y55 HydrophobicContact CB-CE2 3.5Å; K53-Y55 VanDerWaalsContact CB-CE2 3.5Å; K53-Y55 HydrophobicContact CD-CE2 4.3Å; K53-Y55 HydrophobicContact CG-CD2 4.43Å; K53-Y55 HydrophobicContact CG-CE2 3.94Å; K53-Y55 PolarHBondContact O-N 2.83Å; K53-Y147 WeakPolarHBondContact O-CE2 3.45Å; K53-Y147 PolarHBondContact O-OH 3.06Å; K53-Y151 WeakPolarHBondContact O-CE1 3.49Å
54Q97.5Very high96.7Very high39 Ų3956.6 Ų56.618%0.18232%0.32CS..  trans-88.350.2-172.7-56.5-65.7-75.600113.4P46 D48 F52 D56 T57 A60 Y151P46-Q54 HydrophobicContact CG-CB 4.06Å; P46-Q54 HydrophobicContact CG-CG 4.18Å; P46-Q54 PolarHBondContact O-N 3.49Å; D48-Q54 VanDerWaalsContact CB-NE2 3.35Å; D48-Q54 VanDerWaalsContact CG-NE2 3.31Å; D48-Q54 PolarHBondContact OD2-NE2 3.16Å; F52-Q54 PolarHBondContact O-NE2 2.84Å; Q54-D56 PolarHBondContact O-N 2.88Å; Q54-T57 PolarHBondContact O-OG1 2.72Å; Q54-A60 WeakPolarHBondContact O-CB 3.32Å; Q54-Y151 VanDerWaalsContact CA-CZ 3.48Å; Q54-Y151 WeakPolarHBondContact CA-OH 3.39Å; Q54-Y151 HydrophobicContact CB-CE2 4.49Å; Q54-Y151 PolarHBondContact O-OH 2.95Å; Q54-Y151 VanDerWaalsContact OE1-CE2 3.23Å
55Y97.9Very high96.8Very high34 Ų3456.4 Ų56.413%0.13331%0.312CS..THydrogen-bonded Turntrans-66-35.3-174.5-81.5-73.2000114F39 D42 V45 K53 T57 A60 P141 Y151F39-Y55 AromaticContact CD1-CD1 3.71Å; F39-Y55 HydrophobicContact CD1-CD1 3.71Å; F39-Y55 HydrophobicContact CD1-CE1 4.25Å; F39-Y55 AromaticContact CE1-CD1 3.73Å; F39-Y55 HydrophobicContact CE1-CD1 3.73Å; F39-Y55 HydrophobicContact CE1-CG 4.49Å; F39-Y55 WeakPolarHBondContact CE1-O 3.45Å; D42-Y55 WeakPolarHBondContact CA-OH 3.48Å; D42-Y55 VanDerWaalsContact CB-OH 3.31Å; D42-Y55 WeakPolarHBondContact CB-OH 3.46Å; D42-Y55 PolarHBondContact OD1-OH 2.87Å; V45-Y55 HydrophobicContact CB-CE1 4.45Å; V45-Y55 HydrophobicContact CG1-CD1 4.32Å; V45-Y55 HydrophobicContact CG1-CD2 4.4Å; V45-Y55 HydrophobicContact CG1-CE1 4.36Å; V45-Y55 HydrophobicContact CG1-CE2 4.42Å; V45-Y55 HydrophobicContact CG1-CG 4.34Å; V45-Y55 HydrophobicContact CG2-CD1 4.26Å; V45-Y55 HydrophobicContact CG2-CE1 3.83Å; K53-Y55 VanDerWaalsContact C-N 3.26Å; K53-Y55 HydrophobicContact CB-CD2 3.5Å; K53-Y55 VanDerWaalsContact CB-CD2 3.5Å; K53-Y55 HydrophobicContact CB-CE2 3.5Å; K53-Y55 VanDerWaalsContact CB-CE2 3.5Å; K53-Y55 HydrophobicContact CD-CE2 4.3Å; K53-Y55 HydrophobicContact CG-CD2 4.43Å; K53-Y55 HydrophobicContact CG-CE2 3.94Å; K53-Y55 PolarHBondContact O-N 2.83Å; Y55-T57 PolarHBondContact O-N 2.81Å; Y55-A60 WeakPolarHBondContact O-CB 3.33Å; Y55-P141 HydrophobicContact CE2-CG 4.3Å; Y55-P141 WeakPolarHBondContact OH-CD 3.39Å; Y55-Y151 PolarHBondContact N-OH 2.87Å
56D97.8Very high96.9Very high10 Ų1056.2 Ų56.25%0.05331%0.311CS..THydrogen-bonded Turntrans-81.235.8-174.1-60.5-126.3000113.6Q54 F105 Y151 M155 N159Q54-D56 PolarHBondContact O-N 2.88Å; D56-F105 HydrophobicContact CB-CE2 3.93Å; D56-Y151 HydrophobicContact CB-CE1 3.77Å; D56-Y151 PolarHBondContact N-OH 3.23Å; D56-Y151 WeakPolarHBondContact OD2-CE1 3.18Å; D56-M155 HydrophobicContact CB-CB 3.75Å; D56-M155 HydrophobicContact CB-CG 4.2Å; D56-M155 WeakPolarHBondContact O-CE 3.34Å; D56-N159 PolarHBondContact O-ND2 2.89Å
57T97.7Very high97Very high30 Ų3053.9 Ų53.918%0.18429%0.294CS..SBendtrans-125.9153.6176.965.30000111.3Q54 Y55 D59 A60 M155Q54-T57 PolarHBondContact O-OG1 2.72Å; Y55-T57 PolarHBondContact O-N 2.81Å; T57-D59 PolarHBondContact O-N 2.89Å; T57-A60 WeakPolarHBondContact O-CB 3.12Å; T57-A60 PolarHBondContact O-N 3.33Å; T57-A60 VanDerWaalsContact O-N 3.15Å; T57-A60 PolarHBondContact OG1-N 3.24Å; T57-M155 HydrophobicContact CG2-CE 3.71Å
58L97.6Very high97.1Very high47 Ų4755.7 Ų55.725%0.24630%0.296CS..G310 helixtrans-61.6-28.2173.2-69.6177.3000112.4A60 L61 M63 L106 N109 H110L58-A60 PolarHBondContact O-N 3.19Å; L58-L61 PolarHBondContact O-N 2.85Å; L58-M63 HydrophobicContact CD2-CE 4.29Å; L58-M63 HydrophobicContact CD2-CG 4.11Å; L58-M63 HydrophobicContact CD2-SD 4.02Å; L58-L106 HydrophobicContact CD2-CB 3.83Å; L58-L106 HydrophobicContact CD2-CD1 4.32Å; L58-N109 HydrophobicContact CD1-CB 4.28Å; L58-H110 HydrophobicContact CD1-CB 4.08Å; L58-H110 HydrophobicContact CD2-CB 4.07Å
59D97.4Very high97.3Very high130 Ų13055.7 Ų55.770%0.69529%0.294SS*.G310 helixtrans-68.7-19.5178.1-72.5-21.9000113.1K40 T57 L61K40-D59 VanDerWaalsContact CD-O 3.29Å; K40-D59 WeakPolarHBondContact CD-O 3.47Å; K40-D59 WeakPolarHBondContact CE-O 3.28Å; K40-D59 PolarHBondContact NZ-O 2.92Å; T57-D59 PolarHBondContact O-N 2.89Å; D59-L61 PolarHBondContact O-N 3.09Å
60A98Very high97.5Very high1 Ų149.8 Ų49.81%0.00825%0.253CS..G310 helixtrans-78.6-2.7172.300000113.3F39 K40 V45 Q54 Y55 T57 L58F39-A60 HydrophobicContact CD1-CB 4.38Å; F39-A60 HydrophobicContact CE1-CB 4.39Å; K40-A60 WeakPolarHBondContact CG-O 3.17Å; K40-A60 PolarHBondContact N-O 3.19Å; V45-A60 HydrophobicContact CG2-CB 4.42Å; Q54-A60 WeakPolarHBondContact O-CB 3.32Å; Y55-A60 WeakPolarHBondContact O-CB 3.33Å; T57-A60 WeakPolarHBondContact O-CB 3.12Å; T57-A60 PolarHBondContact O-N 3.33Å; T57-A60 VanDerWaalsContact O-N 3.15Å; T57-A60 PolarHBondContact OG1-N 3.24Å; L58-A60 PolarHBondContact O-N 3.19Å
61L98.4Very high97.8Very high5 Ų547.4 Ų47.43%0.02625%0.245CC..BIsolated β-bridgetrans-118.6145-174-66.2155.9000111.5Q35 Y38 F39 K40 L58 D59 M63 L106Q35-L61 HydrophobicContact CG-CD1 3.9Å; Q35-L61 HydrophobicContact CG-CD2 3.94Å; Y38-L61 CarbonylContact O-C 3.18Å; Y38-L61 WeakPolarHBondContact O-CA 3.5Å; F39-L61 HydrophobicContact CD1-CD2 3.8Å; F39-L61 HydrophobicContact CD1-CG 4.31Å; F39-L61 HydrophobicContact CD2-CD2 4.32Å; F39-L61 HydrophobicContact CE1-CD2 3.93Å; F39-L61 HydrophobicContact CE1-CG 4.29Å; F39-L61 HydrophobicContact CE2-CD2 4.44Å; F39-L61 HydrophobicContact CG-CD2 4.01Å; F39-L61 HydrophobicContact CZ-CD2 4.27Å; K40-L61 WeakPolarHBondContact CE-O 3.43Å; L58-L61 PolarHBondContact O-N 2.85Å; D59-L61 PolarHBondContact O-N 3.09Å; L61-M63 HydrophobicContact CB-CG 3.87Å; L61-M63 HydrophobicContact CB-SD 3.74Å; L61-M63 HydrophobicContact CD1-SD 3.93Å; L61-M63 HydrophobicContact CG-SD 4.43Å; L61-M63 PolarHBondContact O-N 3.19Å; L61-L106 HydrophobicContact CD1-CD1 4.12Å
62H98.3Very high98Very high86 Ų8647.5 Ų47.540%0.39824%0.238SC..  trans-77.561.1166.7-69.7-69.9000110.6Y38 E64 E65 M66Y38-H62 PolarHBondContact O-N 2.94Å; H62-E64 PolarHBondContact O-N 3.05Å; H62-E65 HydrophobicContact CB-CB 4.16Å; H62-E65 HydrophobicContact CB-CG 4.13Å; H62-E65 PolarHBondContact O-N 2.85Å; H62-M66 PolarHBondContact O-N 2.93Å; H62-M66 VanDerWaalsContact O-N 3.11Å
63M98.2Very high98Very high12 Ų1246.6 Ų46.66%0.05923%0.234CC..Hα-helixtrans-59.2-31.5-175.6-68.4-55.8-58.400113.4L58 L61 M66 M67 H110 L113L58-M63 HydrophobicContact CD2-CE 4.29Å; L58-M63 HydrophobicContact CD2-CG 4.11Å; L58-M63 HydrophobicContact CD2-SD 4.02Å; L61-M63 HydrophobicContact CB-CG 3.87Å; L61-M63 HydrophobicContact CB-SD 3.74Å; L61-M63 HydrophobicContact CD1-SD 3.93Å; L61-M63 HydrophobicContact CG-SD 4.43Å; L61-M63 PolarHBondContact O-N 3.19Å; M63-M66 HydrophobicContact CE-SD 3.97Å; M63-M66 PolarHBondContact O-N 3.38Å; M63-M66 HydrophobicContact SD-SD 4.21Å; M63-M67 WeakPolarHBondContact O-CB 3.38Å; M63-M67 VanDerWaalsContact O-CG 3.3Å; M63-M67 WeakPolarHBondContact O-CG 3.47Å; M63-M67 PolarHBondContact O-N 3.46Å; M63-H110 HydrophobicContact CE-CB 3.66Å; M63-L113 HydrophobicContact CE-CD2 4.26Å
64E97.9Very high98Very high151 Ų15149.3 Ų49.371%0.70625%0.246SC*.Hα-helixtrans-64.7-39.7174.6-65.5-174.517400112.4H62 M67 K68H62-E64 PolarHBondContact O-N 3.05Å; E64-M67 PolarHBondContact O-N 3.04Å; E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 3.09Å
65E98.4Very high97.9Very high91 Ų9156.4 Ų56.443%0.42528%0.276SS..Hα-helixtrans-69.4-40.5176.9-61.7-54.5142.300111.1Y38 H62 M67 K68 E69Y38-E65 HydrophobicContact CD1-CB 4.24Å; Y38-E65 HydrophobicContact CE1-CB 4.4Å; H62-E65 HydrophobicContact CB-CB 4.16Å; H62-E65 HydrophobicContact CB-CG 4.13Å; H62-E65 PolarHBondContact O-N 2.85Å; E65-M67 VanDerWaalsContact C-N 3.34Å; E65-M67 PolarHBondContact O-N 2.96Å; E65-K68 WeakPolarHBondContact O-CB 3.46Å; E65-K68 PolarHBondContact O-N 3.31Å; E65-K68 IonicContact OE1-NZ 3.7Å; E65-K68 PolarHBondContact OE1-NZ 3.1Å; E65-K68 WeakPolarHBondContact OE2-CD 3.41Å; E65-K68 IonicContact OE2-NZ 3.52Å; E65-K68 PolarHBondContact OE2-NZ 2.93Å; E65-E69 PolarHBondContact O-N 2.97Å; E65-E69 VanDerWaalsContact O-N 3.11Å
66M98.5Very high97.8Very high0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-59-45.5172.3-172179.9177.800111.3I33 Q35 Y38 H62 M63 K68 E69 V70 V102 I107 L113I33-M66 HydrophobicContact CG2-CE 4.13Å; I33-M66 HydrophobicContact CG2-CG 4.2Å; Q35-M66 HydrophobicContact CB-CE 3.99Å; Q35-M66 HydrophobicContact CB-SD 4.15Å; Q35-M66 HydrophobicContact CG-CE 4.46Å; Q35-M66 HydrophobicContact CG-SD 4.06Å; Y38-M66 HydrophobicContact CD1-CB 3.78Å; Y38-M66 HydrophobicContact CD2-CB 3.93Å; Y38-M66 HydrophobicContact CD2-CG 3.86Å; Y38-M66 HydrophobicContact CD2-SD 4.09Å; Y38-M66 VanDerWaalsContact CE1-CA 3.45Å; Y38-M66 HydrophobicContact CE1-CB 3.86Å; Y38-M66 HydrophobicContact CE1-CG 4.42Å; Y38-M66 HydrophobicContact CE2-CB 3.98Å; Y38-M66 HydrophobicContact CE2-CG 3.69Å; Y38-M66 HydrophobicContact CE2-SD 4.36Å; Y38-M66 HydrophobicContact CG-CB 3.81Å; Y38-M66 HydrophobicContact CG-CG 4.27Å; H62-M66 PolarHBondContact O-N 2.93Å; H62-M66 VanDerWaalsContact O-N 3.11Å; M63-M66 HydrophobicContact CE-SD 3.97Å; M63-M66 PolarHBondContact O-N 3.38Å; M63-M66 HydrophobicContact SD-SD 4.21Å; M66-K68 PolarHBondContact O-N 3.05Å; M66-E69 WeakPolarHBondContact O-CB 3.39Å; M66-E69 PolarHBondContact O-N 3.4Å; M66-E69 VanDerWaalsContact O-N 3.15Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.04Å; M66-V102 HydrophobicContact CE-CG1 3.25Å; M66-I107 HydrophobicContact CE-CG2 4Å; M66-L113 HydrophobicContact CE-CD2 3.98Å; M66-L113 HydrophobicContact SD-CD2 4.45Å
67M98.4Very high97.7Very high29 Ų2957.6 Ų57.614%0.14329%0.285CS..Hα-helixtrans-63.3-39.4176.9-78.5-62.8-65.100112.6M63 E64 E65 E69 V70 C71 P112 L113 M116M63-M67 WeakPolarHBondContact O-CB 3.38Å; M63-M67 VanDerWaalsContact O-CG 3.3Å; M63-M67 WeakPolarHBondContact O-CG 3.47Å; M63-M67 PolarHBondContact O-N 3.46Å; E64-M67 PolarHBondContact O-N 3.04Å; E65-M67 VanDerWaalsContact C-N 3.34Å; E65-M67 PolarHBondContact O-N 2.96Å; M67-E69 PolarHBondContact O-N 2.83Å; M67-V70 PolarHBondContact O-N 3.26Å; M67-C71 VanDerWaalsContact O-CB 3.25Å; M67-C71 WeakPolarHBondContact O-CB 3.4Å; M67-C71 PolarHBondContact O-N 3.18Å; M67-C71 PolarHBondContact O-SG 3.33Å; M67-P112 HydrophobicContact CE-CB 3.82Å; M67-P112 HydrophobicContact SD-CB 4.49Å; M67-L113 VanDerWaalsContact SD-CA 3.6Å; M67-L113 HydrophobicContact SD-CB 3.58Å; M67-L113 VanDerWaalsContact SD-CB 3.58Å; M67-L113 HydrophobicContact SD-CD1 3.96Å; M67-L113 HydrophobicContact SD-CG 4.34Å; M67-M116 HydrophobicContact CE-SD 3.55Å; M67-M116 VanDerWaalsContact CE-SD 3.55Å; M67-M116 HydrophobicContact SD-SD 4.2Å
68K98.4Very high97.5Very high116 Ų11657.2 Ų57.250%0.50428%0.281SS..Hα-helixtrans-58.8-39.6173.7-74.1169.8-168.1168.60111.3E64 E65 M66 S72E64-K68 WeakPolarHBondContact O-CG 3.4Å; E64-K68 PolarHBondContact O-N 3.09Å; E65-K68 WeakPolarHBondContact O-CB 3.46Å; E65-K68 PolarHBondContact O-N 3.31Å; E65-K68 IonicContact OE1-NZ 3.7Å; E65-K68 PolarHBondContact OE1-NZ 3.1Å; E65-K68 WeakPolarHBondContact OE2-CD 3.41Å; E65-K68 IonicContact OE2-NZ 3.52Å; E65-K68 PolarHBondContact OE2-NZ 2.93Å; M66-K68 PolarHBondContact O-N 3.05Å; K68-S72 VanDerWaalsContact O-CB 3.26Å; K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.75Å
69E98.3Very high97.3Very high42 Ų4256.4 Ų56.420%0.19628%0.276CS..Hα-helixtrans-68.2-47178.6-165.1173135.100112.5I33 Y38 E65 M66 M67 C71 S72 W73 F80 R84I33-E69 HydrophobicContact CD1-CB 4.18Å; I33-E69 HydrophobicContact CD1-CG 3.7Å; I33-E69 HydrophobicContact CG1-CG 4.41Å; I33-E69 WeakPolarHBondContact CG1-OE1 3.34Å; Y38-E69 PolarHBondContact OH-OE1 3.19Å; Y38-E69 PolarHBondContact OH-OE2 3.24Å; E65-E69 PolarHBondContact O-N 2.97Å; E65-E69 VanDerWaalsContact O-N 3.11Å; M66-E69 WeakPolarHBondContact O-CB 3.39Å; M66-E69 PolarHBondContact O-N 3.4Å; M66-E69 VanDerWaalsContact O-N 3.15Å; M67-E69 PolarHBondContact O-N 2.83Å; E69-C71 VanDerWaalsContact C-N 3.34Å; E69-C71 PolarHBondContact O-N 2.71Å; E69-S72 WeakPolarHBondContact O-CB 3.13Å; E69-S72 PolarHBondContact O-N 3.06Å; E69-W73 PolarHBondContact O-N 3.22Å; E69-F80 HydrophobicContact CG-CE2 3.76Å; E69-F80 HydrophobicContact CG-CZ 3.63Å; E69-R84 IonicContact OE1-CZ 2.67Å; E69-R84 IonicContact OE1-NH1 2.67Å; E69-R84 PolarHBondContact OE1-NH1 3.29Å; E69-R84 IonicContact OE1-NH2 2.97Å; E69-R84 PolarHBondContact OE1-NH2 3.25Å; E69-R84 IonicContact OE2-NH2 3.97Å; E69-R84 PolarHBondContact OE2-NH2 2.96Å
70V98.5Very high97.2Very high0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-60.4-43.7175.6178.80000110.8I33 M66 M67 S72 W73 K74 L100 V102 L113 M116I33-V70 HydrophobicContact CD1-CG2 3.84Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.04Å; M67-V70 PolarHBondContact O-N 3.26Å; V70-S72 PolarHBondContact O-N 2.81Å; V70-W73 PolarHBondContact O-N 3.27Å; V70-K74 WeakPolarHBondContact O-CB 3.33Å; V70-K74 PolarHBondContact O-N 2.91Å; V70-L100 HydrophobicContact CB-CD2 4.42Å; V70-L100 HydrophobicContact CG1-CD2 3.85Å; V70-L100 HydrophobicContact CG2-CD2 4.41Å; V70-V102 HydrophobicContact CG2-CG2 4.24Å; V70-L113 HydrophobicContact CG1-CD1 4.18Å; V70-L113 HydrophobicContact CG2-CD1 4.03Å; V70-M116 HydrophobicContact CB-CE 4.48Å; V70-M116 HydrophobicContact CB-SD 4.49Å; V70-M116 HydrophobicContact CG1-CE 3.52Å; V70-M116 HydrophobicContact CG1-SD 3.67Å
71C98.1Very high97Very high63 Ų6350.9 Ų50.943%0.42625%0.246SC..Hα-helixtrans-64.4-38.1175.6-75.30000112.7M67 E69 K74 K75M67-C71 VanDerWaalsContact O-CB 3.25Å; M67-C71 WeakPolarHBondContact O-CB 3.4Å; M67-C71 PolarHBondContact O-N 3.18Å; M67-C71 PolarHBondContact O-SG 3.33Å; E69-C71 VanDerWaalsContact C-N 3.34Å; E69-C71 PolarHBondContact O-N 2.71Å; C71-K74 PolarHBondContact O-N 2.94Å; C71-K75 WeakPolarHBondContact O-CB 3.36Å; C71-K75 PolarHBondContact O-N 3.26Å
72S97.9Very high96.7Very high48 Ų4855.7 Ų55.734%0.33626%0.264SS..Hα-helixtrans-62.3-45.5175.4-175.10000111K68 E69 V70 K75 D76K68-S72 VanDerWaalsContact O-CB 3.26Å; K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.75Å; E69-S72 WeakPolarHBondContact O-CB 3.13Å; E69-S72 PolarHBondContact O-N 3.06Å; V70-S72 PolarHBondContact O-N 2.81Å; S72-K75 PolarHBondContact O-N 3.12Å; S72-D76 PolarHBondContact O-N 2.79Å
73W97.9Very high96.5Very high0 Ų059.9 Ų59.90%028%0.276CS..Hα-helixtrans-61.9-45.8174-179.693.2000111.8T3 I5 E69 V70 K75 D76 P77 F80 V99 L100T3-W73 HydrophobicContact CG2-CH2 4Å; T3-W73 HydrophobicContact CG2-CZ3 4.24Å; I5-W73 HydrophobicContact CD1-CE3 4.34Å; I5-W73 HydrophobicContact CD1-CZ3 3.98Å; I5-W73 HydrophobicContact CG1-CE3 4.33Å; I5-W73 HydrophobicContact CG1-CH2 4.31Å; I5-W73 HydrophobicContact CG1-CZ3 3.6Å; E69-W73 PolarHBondContact O-N 3.22Å; V70-W73 PolarHBondContact O-N 3.27Å; W73-K75 VanDerWaalsContact C-N 3.25Å; W73-K75 PolarHBondContact O-N 2.92Å; W73-D76 CarbonylContact O-C 3.51Å; W73-D76 PolarHBondContact O-N 2.78Å; W73-P77 HydrophobicContact CD2-CB 4.14Å; W73-P77 HydrophobicContact CG-CB 4.5Å; W73-P77 HydrophobicContact CZ2-CB 3.94Å; W73-P77 VanDerWaalsContact O-CA 3.26Å; W73-P77 WeakPolarHBondContact O-CA 3.24Å; W73-P77 WeakPolarHBondContact O-CD 3.46Å; W73-F80 HydrophobicContact CB-CB 4.48Å; W73-F80 HydrophobicContact CB-CD1 4.18Å; W73-F80 HydrophobicContact CB-CD2 3.83Å; W73-F80 HydrophobicContact CB-CE1 4.31Å; W73-F80 HydrophobicContact CB-CE2 4Å; W73-F80 HydrophobicContact CB-CG 3.92Å; W73-F80 HydrophobicContact CB-CZ 4.23Å; W73-F80 AromaticContact CD1-CD1 3.52Å; W73-F80 AromaticContact CD1-CE1 3.96Å; W73-F80 AromaticContact CD1-CG 3.86Å; W73-F80 HydrophobicContact CG-CD1 4.26Å; W73-F80 HydrophobicContact CG-CG 4.3Å; W73-V99 VanDerWaalsContact CZ2-C 3.49Å; W73-L100 HydrophobicContact CB-CD2 4.24Å; W73-L100 HydrophobicContact CD2-CB 3.66Å; W73-L100 HydrophobicContact CD2-CD1 4.1Å; W73-L100 HydrophobicContact CD2-CD2 3.81Å; W73-L100 HydrophobicContact CD2-CG 4.07Å; W73-L100 HydrophobicContact CE3-CB 3.64Å; W73-L100 HydrophobicContact CE3-CD2 3.63Å; W73-L100 HydrophobicContact CE3-CG 4.18Å; W73-L100 HydrophobicContact CG-CB 4.44Å; W73-L100 HydrophobicContact CG-CD1 3.99Å; W73-L100 HydrophobicContact CG-CD2 4.06Å; W73-L100 HydrophobicContact CG-CG 4.4Å; W73-L100 HydrophobicContact CH2-CB 3.57Å; W73-L100 HydrophobicContact CZ2-CB 3.58Å; W73-L100 VanDerWaalsContact CZ2-N 3.26Å; W73-L100 HydrophobicContact CZ3-CB 3.61Å; W73-L100 HydrophobicContact CZ3-CD2 4.29Å
74K96.7Very high96.2Very high102 Ų10264.4 Ų64.444%0.44329%0.292SS..Hα-helixtrans-63.6-31.3-179.1-172.3169.2-174.9164.30112.7I5 V70 C71 M116I5-K74 HydrophobicContact CD1-CD 4.13Å; V70-K74 WeakPolarHBondContact O-CB 3.33Å; V70-K74 PolarHBondContact O-N 2.91Å; C71-K74 PolarHBondContact O-N 2.94Å; K74-M116 HydrophobicContact CB-CE 4.29Å; K74-M116 HydrophobicContact CD-CE 3.51Å
75K96.2Very high95.9Very high188 Ų18860.2 Ų60.282%0.81729%0.29SS*.Hα-helixtrans-69.7-43.6178.7-177179.5178.2-179.10112.3C71 S72 W73C71-K75 WeakPolarHBondContact O-CB 3.36Å; C71-K75 PolarHBondContact O-N 3.26Å; S72-K75 PolarHBondContact O-N 3.12Å; W73-K75 VanDerWaalsContact C-N 3.25Å; W73-K75 PolarHBondContact O-N 2.92Å
76D95.3Very high95.3Very high65 Ų6559.5 Ų59.535%0.34829%0.288SS..  trans-154.386.3-178.4-168.4-20000110.3S72 W73 H78 E79 F80S72-D76 PolarHBondContact O-N 2.79Å; W73-D76 CarbonylContact O-C 3.51Å; W73-D76 PolarHBondContact O-N 2.78Å; D76-H78 PolarHBondContact O-N 2.97Å; D76-E79 HydrophobicContact CB-CB 4.1Å; D76-E79 WeakPolarHBondContact OD1-CB 3.32Å; D76-E79 PolarHBondContact OD1-N 2.88Å; D76-E79 VanDerWaalsContact OD1-N 3.09Å; D76-E79 WeakPolarHBondContact OD2-CB 2.95Å; D76-F80 VanDerWaalsContact O-CB 3.3Å; D76-F80 WeakPolarHBondContact O-CB 3.4Å; D76-F80 PolarHBondContact O-N 2.87Å
77P95.2Very high94.8Very high4 Ų460.8 Ų60.83%0.02630%0.295CS..Hα-helixtrans-68.4-34.3-173.526.2-35000112.3M1 T3 W73 F80 L81 Y98M1-P77 HydrophobicContact SD-CG 4.49Å; T3-P77 HydrophobicContact CG2-CG 4.01Å; W73-P77 HydrophobicContact CD2-CB 4.14Å; W73-P77 HydrophobicContact CG-CB 4.5Å; W73-P77 HydrophobicContact CZ2-CB 3.94Å; W73-P77 VanDerWaalsContact O-CA 3.26Å; W73-P77 WeakPolarHBondContact O-CA 3.24Å; W73-P77 WeakPolarHBondContact O-CD 3.46Å; P77-F80 PolarHBondContact O-N 3.29Å; P77-L81 WeakPolarHBondContact O-CB 3.33Å; P77-L81 VanDerWaalsContact O-CG 3.27Å; P77-L81 WeakPolarHBondContact O-CG 3.27Å; P77-L81 PolarHBondContact O-N 2.83Å; P77-Y98 HydrophobicContact CB-CD1 3.98Å; P77-Y98 HydrophobicContact CB-CD2 4.15Å; P77-Y98 HydrophobicContact CB-CG 3.67Å; P77-Y98 HydrophobicContact CG-CD1 4.35Å; P77-Y98 HydrophobicContact CG-CD2 3.67Å; P77-Y98 HydrophobicContact CG-CE2 4.26Å; P77-Y98 HydrophobicContact CG-CG 3.73Å
78H93.8Very high94Very high21 Ų2162.7 Ų62.710%0.09732%0.316CS..Hα-helixtrans-62.4-52.6176.8178.8-88000110.8M1 D76 F80 L81 R82 I87 S91 T93 Y98M1-H78 HydrophobicContact SD-CB 4.39Å; D76-H78 PolarHBondContact O-N 2.97Å; H78-F80 VanDerWaalsContact C-N 3.28Å; H78-F80 PolarHBondContact O-N 3.32Å; H78-L81 PolarHBondContact O-N 2.84Å; H78-R82 WeakPolarHBondContact O-CB 3.45Å; H78-R82 PolarHBondContact O-N 2.99Å; H78-I87 VanDerWaalsContact CD2-CD1 3.46Å; H78-I87 WeakPolarHBondContact CD2-CD1 3.37Å; H78-I87 WeakPolarHBondContact O-CD1 3.38Å; H78-S91 PolarHBondContact NE2-O 2.76Å; H78-S91 PolarHBondContact NE2-OG 3.47Å; H78-T93 HydrophobicContact CB-CG2 4.27Å; H78-Y98 HydrophobicContact CB-CE1 4.21Å; H78-Y98 PolarHBondContact CD2-OH 3.12Å; H78-Y98 VanDerWaalsContact CD2-OH 3.31Å
79E93.4Very high92.7Very high30 Ų3065.5 Ų65.514%0.1433%0.328CS..Hα-helixtrans-63.8-36.8179.3175.160.1-179.600112D76 R82 R83D76-E79 HydrophobicContact CB-CB 4.1Å; D76-E79 WeakPolarHBondContact OD1-CB 3.32Å; D76-E79 PolarHBondContact OD1-N 2.88Å; D76-E79 VanDerWaalsContact OD1-N 3.09Å; D76-E79 WeakPolarHBondContact OD2-CB 2.95Å; E79-R82 PolarHBondContact O-N 2.93Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NH2 3.23Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.87Å; E79-R82 IonicContact OE2-NE 3.33Å; E79-R82 PolarHBondContact OE2-NE 2.69Å; E79-R82 IonicContact OE2-NH2 2.64Å; E79-R82 PolarHBondContact OE2-NH2 2.83Å; E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.07Å; E79-R83 IonicContact OE1-CZ 2.83Å; E79-R83 IonicContact OE1-NE 3.06Å; E79-R83 PolarHBondContact OE1-NE 3.13Å; E79-R83 IonicContact OE1-NH2 2.59Å; E79-R83 PolarHBondContact OE1-NH2 2.86Å
80F95.4Very high91.6Very high14 Ų1471.2 Ų71.26%0.06136%0.359CS..Hα-helixtrans-60.3-49.8175.3-172.9-80.5000111.6I33 E69 W73 D76 P77 H78 R82 R83 R84I33-F80 HydrophobicContact CD1-CZ 4.44Å; E69-F80 HydrophobicContact CG-CE2 3.76Å; E69-F80 HydrophobicContact CG-CZ 3.63Å; W73-F80 HydrophobicContact CB-CB 4.48Å; W73-F80 HydrophobicContact CB-CD1 4.18Å; W73-F80 HydrophobicContact CB-CD2 3.83Å; W73-F80 HydrophobicContact CB-CE1 4.31Å; W73-F80 HydrophobicContact CB-CE2 4Å; W73-F80 HydrophobicContact CB-CG 3.92Å; W73-F80 HydrophobicContact CB-CZ 4.23Å; W73-F80 AromaticContact CD1-CD1 3.52Å; W73-F80 AromaticContact CD1-CE1 3.96Å; W73-F80 AromaticContact CD1-CG 3.86Å; W73-F80 HydrophobicContact CG-CD1 4.26Å; W73-F80 HydrophobicContact CG-CG 4.3Å; D76-F80 VanDerWaalsContact O-CB 3.3Å; D76-F80 WeakPolarHBondContact O-CB 3.4Å; D76-F80 PolarHBondContact O-N 2.87Å; P77-F80 PolarHBondContact O-N 3.29Å; H78-F80 VanDerWaalsContact C-N 3.28Å; H78-F80 PolarHBondContact O-N 3.32Å; F80-R82 VanDerWaalsContact C-N 3.34Å; F80-R82 PolarHBondContact O-N 3.07Å; F80-R83 PolarHBondContact O-N 3.18Å; F80-R84 HydrophobicContact CE1-CG 4.42Å; F80-R84 VanDerWaalsContact CZ-CZ 3.46Å; F80-R84 PolarHBondContact O-N 2.82Å
81L93.6Very high90.5Very high1 Ų172.6 Ų72.61%0.00537%0.369CS..Hα-helixtrans-62.1-41.9176.6-70-178000111.6N29 C31 P77 H78 R83 R84 G85 L86 I87 Y98N29-L81 HydrophobicContact CB-CD1 4.3Å; C31-L81 HydrophobicContact CB-CD2 3.58Å; P77-L81 WeakPolarHBondContact O-CB 3.33Å; P77-L81 VanDerWaalsContact O-CG 3.27Å; P77-L81 WeakPolarHBondContact O-CG 3.27Å; P77-L81 PolarHBondContact O-N 2.83Å; H78-L81 PolarHBondContact O-N 2.84Å; L81-R83 PolarHBondContact O-N 2.77Å; L81-R84 CarbonylContact O-C 3.51Å; L81-R84 PolarHBondContact O-N 3.37Å; L81-R84 VanDerWaalsContact O-N 3.14Å; L81-G85 PolarHBondContact O-N 3.4Å; L81-G85 VanDerWaalsContact O-N 3.12Å; L81-L86 HydrophobicContact CB-CB 4.21Å; L81-L86 HydrophobicContact CD2-CB 3.97Å; L81-L86 HydrophobicContact CD2-CD1 3.55Å; L81-L86 HydrophobicContact CD2-CG 4.4Å; L81-L86 PolarHBondContact O-N 3.43Å; L81-I87 HydrophobicContact CB-CD1 3.82Å; L81-I87 HydrophobicContact CB-CG1 3.86Å; L81-I87 HydrophobicContact CB-CG2 4.13Å; L81-I87 HydrophobicContact CD1-CG2 3.99Å; L81-Y98 HydrophobicContact CD1-CD1 3.62Å; L81-Y98 HydrophobicContact CD1-CE1 3.89Å
82R92.7Very high89.3Confident107 Ų10773.3 Ų73.340%0.40438%0.375SS..Hα-helixtrans-60.2-46.2178.9-170.5-177.572.6142.52.2111.6H78 E79 F80 R84 G85 I87H78-R82 WeakPolarHBondContact O-CB 3.45Å; H78-R82 PolarHBondContact O-N 2.99Å; E79-R82 PolarHBondContact O-N 2.93Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NH2 3.23Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.87Å; E79-R82 IonicContact OE2-NE 3.33Å; E79-R82 PolarHBondContact OE2-NE 2.69Å; E79-R82 IonicContact OE2-NH2 2.64Å; E79-R82 PolarHBondContact OE2-NH2 2.83Å; F80-R82 VanDerWaalsContact C-N 3.34Å; F80-R82 PolarHBondContact O-N 3.07Å; R82-R84 PolarHBondContact O-N 3.33Å; R82-G85 PolarHBondContact O-N 3.35Å; R82-I87 HydrophobicContact CB-CD1 4.39Å; R82-I87 HydrophobicContact CB-CG1 4.16Å
83R93.3Very high88.1Confident173 Ų17374.2 Ų74.265%0.65338%0.378SS*.Hα-helixtrans-62.8-29176.9-73.5179.3-166.3149.86.6113E79 F80 L81 G85E79-R83 WeakPolarHBondContact O-CG 3.34Å; E79-R83 PolarHBondContact O-N 3.07Å; E79-R83 IonicContact OE1-CZ 2.83Å; E79-R83 IonicContact OE1-NE 3.06Å; E79-R83 PolarHBondContact OE1-NE 3.13Å; E79-R83 IonicContact OE1-NH2 2.59Å; E79-R83 PolarHBondContact OE1-NH2 2.86Å; F80-R83 PolarHBondContact O-N 3.18Å; L81-R83 PolarHBondContact O-N 2.77Å; R83-G85 VanDerWaalsContact C-N 3.31Å
84R92.4Very high86.6Confident107 Ų10780.9 Ų80.940%0.40441%0.414SS..THydrogen-bonded Turntrans-84.4-2174.6-69.1-167.4167.5-159.7-14.9113.9E69 F80 L81 R82 L86E69-R84 IonicContact OE1-CZ 2.67Å; E69-R84 IonicContact OE1-NH1 2.67Å; E69-R84 PolarHBondContact OE1-NH1 3.29Å; E69-R84 IonicContact OE1-NH2 2.97Å; E69-R84 PolarHBondContact OE1-NH2 3.25Å; E69-R84 IonicContact OE2-NH2 3.97Å; E69-R84 PolarHBondContact OE2-NH2 2.96Å; F80-R84 HydrophobicContact CE1-CG 4.42Å; F80-R84 VanDerWaalsContact CZ-CZ 3.46Å; F80-R84 PolarHBondContact O-N 2.82Å; L81-R84 CarbonylContact O-C 3.51Å; L81-R84 PolarHBondContact O-N 3.37Å; L81-R84 VanDerWaalsContact O-N 3.14Å; R82-R84 PolarHBondContact O-N 3.33Å; R84-L86 HydrophobicContact CB-CD1 3.84Å; R84-L86 HydrophobicContact CB-CG 3.83Å; R84-L86 PolarHBondContact O-N 2.99Å
85G90.8Very high85Confident64 Ų6483.4 Ų83.466%0.6643%0.432SS*.THydrogen-bonded Turntrans6721.9-176.500000113.5L81 R82 R83L81-G85 PolarHBondContact O-N 3.4Å; L81-G85 VanDerWaalsContact O-N 3.12Å; R82-G85 PolarHBondContact O-N 3.35Å; R83-G85 VanDerWaalsContact C-N 3.31Å
86L87.3Confident84.5Confident75 Ų7576.4 Ų76.439%0.39340%0.403SS..SBendtrans-84.4-16.8-179-65.3173.3000112.7C31 L81 R84C31-L86 HydrophobicContact CB-CD1 4.05Å; C31-L86 VanDerWaalsContact SG-CD1 3.6Å; L81-L86 HydrophobicContact CB-CB 4.21Å; L81-L86 HydrophobicContact CD2-CB 3.97Å; L81-L86 HydrophobicContact CD2-CD1 3.55Å; L81-L86 HydrophobicContact CD2-CG 4.4Å; L81-L86 PolarHBondContact O-N 3.43Å; R84-L86 HydrophobicContact CB-CD1 3.84Å; R84-L86 HydrophobicContact CB-CG 3.83Å; R84-L86 PolarHBondContact O-N 2.99Å
87I86.7Confident84.3Confident28 Ų2874 Ų7414%0.14439%0.39CS..SBendtrans-135.3158.4174.463177.7000110.7H78 L81 R82 S91H78-I87 VanDerWaalsContact CD2-CD1 3.46Å; H78-I87 WeakPolarHBondContact CD2-CD1 3.37Å; H78-I87 WeakPolarHBondContact O-CD1 3.38Å; L81-I87 HydrophobicContact CB-CD1 3.82Å; L81-I87 HydrophobicContact CB-CG1 3.86Å; L81-I87 HydrophobicContact CB-CG2 4.13Å; L81-I87 HydrophobicContact CD1-CG2 3.99Å; R82-I87 HydrophobicContact CB-CD1 4.39Å; R82-I87 HydrophobicContact CB-CG1 4.16Å; I87-S91 WeakPolarHBondContact CD1-OG 3.27Å
88A81Confident84.4Confident69 Ų6973.9 Ų73.957%0.5739%0.389SS*.  trans-68.1152.8178.400000112.1D90 S91A88-D90 PolarHBondContact O-N 3.09Å; A88-S91 WeakPolarHBondContact O-CB 3.26Å; A88-S91 PolarHBondContact O-N 2.89Å; A88-S91 PolarHBondContact O-OG 2.95Å
89K72.8Confident84.6Confident174 Ų17472.9 Ų72.976%0.75738%0.384SS*.THydrogen-bonded Turntrans-60.6-30.1-179.9-74-175.8177.9178.70113.7
90D75.1Confident84.8Confident162 Ų16271.4 Ų71.487%0.86638%0.378SS*.THydrogen-bonded Turntrans-103.617.6-176.7-49.7-36.1000112.2A88 S92A88-D90 PolarHBondContact O-N 3.09Å; D90-S92 PolarHBondContact O-N 3.36Å
91S75.6Confident85Confident30 Ų3070.8 Ų70.821%0.2138%0.375CS..  trans-63.8128.8176.549.90000110.7H78 I87 A88H78-S91 PolarHBondContact NE2-O 2.76Å; H78-S91 PolarHBondContact NE2-OG 3.47Å; I87-S91 WeakPolarHBondContact CD1-OG 3.27Å; A88-S91 WeakPolarHBondContact O-CB 3.26Å; A88-S91 PolarHBondContact O-N 2.89Å; A88-S91 PolarHBondContact O-OG 2.95Å
92S73Confident85.2Confident78 Ų7870.7 Ų70.755%0.54537%0.374SS..  trans-67.4148.5177.854.30000111.5D90D90-S92 PolarHBondContact O-N 3.36Å
93T72.1Confident85.5Confident66 Ų6666.4 Ų66.441%0.40536%0.359SS..  trans-102.1-4.7179.2520000114H78H78-T93 HydrophobicContact CB-CG2 4.27Å
94D66.4Low85.8Confident140 Ų14058.2 Ų58.275%0.74933%0.328SS*.THydrogen-bonded Turntrans-73.7127.8-172.4-82.2-12.1000111.8E96D94-E96 PolarHBondContact O-N 3.49Å
95D63.6Low86Confident155 Ų15554.6 Ų54.683%0.82932%0.316SS*.THydrogen-bonded Turntrans54.318.8177.3-77-31.2000117.3
96E84.4Confident86.4Confident42 Ų4251.6 Ų51.620%0.19628%0.284CS..  trans-77.1142.3178-60.6-159.8151.600113.2K2 N29 D94 Y98K2-E96 PolarHBondContact N-O 3Å; N29-E96 PolarHBondContact ND2-OE2 3.2Å; D94-E96 PolarHBondContact O-N 3.49Å; E96-Y98 HydrophobicContact CB-CE2 3.73Å; E96-Y98 VanDerWaalsContact OE2-CZ 3.31Å; E96-Y98 PolarHBondContact OE2-OH 3.38Å
97L92.8Very high86.9Confident15 Ų1548.1 Ų48.18%0.07927%0.266CS..EExtended strand (participates in β ladder)trans-103.8133.9168-176.7147.4000108.9K2 I4 V99 I194 L197 Q198K2-L97 HydrophobicContact CB-CB 4.3Å; K2-L97 HydrophobicContact CB-CD1 4.09Å; K2-L97 HydrophobicContact CB-CG 4.2Å; K2-L97 VanDerWaalsContact O-CA 3.31Å; K2-L97 WeakPolarHBondContact O-CA 3.5Å; I4-L97 HydrophobicContact CD1-CD1 4.13Å; I4-L97 HydrophobicContact CD1-CD2 4.06Å; I4-L97 HydrophobicContact CG1-CD1 4.32Å; I4-L97 HydrophobicContact CG1-CD2 4.28Å; L97-V99 HydrophobicContact CD2-CG2 3.52Å; L97-I194 HydrophobicContact CD1-CB 4.46Å; L97-I194 HydrophobicContact CD1-CG1 4.43Å; L97-I194 HydrophobicContact CD1-CG2 4.18Å; L97-I194 HydrophobicContact CD2-CD1 4.29Å; L97-I194 HydrophobicContact CD2-CG1 3.85Å; L97-I194 HydrophobicContact CD2-CG2 4.26Å; L97-L197 HydrophobicContact CD1-CB 3.91Å; L97-L197 HydrophobicContact CD1-CD1 4.12Å; L97-Q198 HydrophobicContact CD1-CG 4.35Å
98Y95.9Very high87.5Confident0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-114.3141.6179-62.4-91.4000110.7M1 K2 T3 I4 N29 P77 H78 L81 E96M1-Y98 HydrophobicContact CB-CD2 4.42Å; M1-Y98 HydrophobicContact CB-CE2 4.29Å; M1-Y98 HydrophobicContact CG-CE2 4.07Å; M1-Y98 HydrophobicContact SD-CE2 3.91Å; K2-Y98 PolarHBondContact O-N 3.14Å; T3-Y98 CarbonylContact C-O 3.53Å; T3-Y98 VanDerWaalsContact CA-O 3.32Å; T3-Y98 WeakPolarHBondContact CA-O 3.47Å; I4-Y98 PolarHBondContact N-O 2.77Å; N29-Y98 HydrophobicContact CB-CD1 3.7Å; N29-Y98 HydrophobicContact CB-CE1 3.93Å; N29-Y98 HydrophobicContact CB-CG 4.43Å; N29-Y98 WeakPolarHBondContact O-CA 3.36Å; P77-Y98 HydrophobicContact CB-CD1 3.98Å; P77-Y98 HydrophobicContact CB-CD2 4.15Å; P77-Y98 HydrophobicContact CB-CG 3.67Å; P77-Y98 HydrophobicContact CG-CD1 4.35Å; P77-Y98 HydrophobicContact CG-CD2 3.67Å; P77-Y98 HydrophobicContact CG-CE2 4.26Å; P77-Y98 HydrophobicContact CG-CG 3.73Å; H78-Y98 HydrophobicContact CB-CE1 4.21Å; H78-Y98 PolarHBondContact CD2-OH 3.12Å; H78-Y98 VanDerWaalsContact CD2-OH 3.31Å; L81-Y98 HydrophobicContact CD1-CD1 3.62Å; L81-Y98 HydrophobicContact CD1-CE1 3.89Å; E96-Y98 HydrophobicContact CB-CE2 3.73Å; E96-Y98 VanDerWaalsContact OE2-CZ 3.31Å; E96-Y98 PolarHBondContact OE2-OH 3.38Å
99V97.8Very high88.3Confident0 Ų044.3 Ų44.30%024%0.236CC..EExtended strand (participates in β ladder)trans-121121.8-179.9-176.50000111.2I4 V6 I27 N29 S30 C31 W73 L97 I101 I194I4-V99 HydrophobicContact CB-CG2 4.36Å; I4-V99 CarbonylContact O-C 3.57Å; I4-V99 WeakPolarHBondContact O-CA 3.42Å; V6-V99 HydrophobicContact CG2-CG1 4.05Å; I27-V99 HydrophobicContact CG2-CB 3.92Å; I27-V99 HydrophobicContact CG2-CG1 4.49Å; I27-V99 HydrophobicContact CG2-CG2 3.63Å; N29-V99 PolarHBondContact O-N 3.49Å; N29-V99 VanDerWaalsContact O-N 3.1Å; S30-V99 CarbonylContact C-O 3.56Å; S30-V99 WeakPolarHBondContact CA-O 3.4Å; C31-V99 PolarHBondContact N-O 2.67Å; W73-V99 VanDerWaalsContact CZ2-C 3.49Å; L97-V99 HydrophobicContact CD2-CG2 3.52Å; V99-I101 HydrophobicContact CG1-CG1 4.3Å; V99-I194 HydrophobicContact CG2-CD1 4.14Å
100L98.7Very high89.4Confident0 Ų037.9 Ų37.90%021%0.209CC..EExtended strand (participates in β ladder)trans-97.2126.6168.6-174.259.3000109.2I4 I5 V6 C31 I33 V70 W73 V102I4-L100 PolarHBondContact O-N 3.17Å; I5-L100 CarbonylContact C-O 3.35Å; I5-L100 WeakPolarHBondContact CA-O 3.31Å; I5-L100 HydrophobicContact CD1-CD2 4.49Å; I5-L100 HydrophobicContact CG1-CB 4.24Å; I5-L100 HydrophobicContact CG2-CB 4.23Å; I5-L100 HydrophobicContact CG2-CD2 4.14Å; I5-L100 HydrophobicContact CG2-CG 4.38Å; V6-L100 PolarHBondContact N-O 3.49Å; C31-L100 HydrophobicContact CB-CD1 4.32Å; I33-L100 HydrophobicContact CD1-CD1 3.81Å; I33-L100 HydrophobicContact CD1-CD2 4.16Å; I33-L100 HydrophobicContact CG1-CD1 3.88Å; V70-L100 HydrophobicContact CB-CD2 4.42Å; V70-L100 HydrophobicContact CG1-CD2 3.85Å; V70-L100 HydrophobicContact CG2-CD2 4.41Å; W73-L100 HydrophobicContact CB-CD2 4.24Å; W73-L100 HydrophobicContact CD2-CB 3.66Å; W73-L100 HydrophobicContact CD2-CD1 4.1Å; W73-L100 HydrophobicContact CD2-CD2 3.81Å; W73-L100 HydrophobicContact CD2-CG 4.07Å; W73-L100 HydrophobicContact CE3-CB 3.64Å; W73-L100 HydrophobicContact CE3-CD2 3.63Å; W73-L100 HydrophobicContact CE3-CG 4.18Å; W73-L100 HydrophobicContact CG-CB 4.44Å; W73-L100 HydrophobicContact CG-CD1 3.99Å; W73-L100 HydrophobicContact CG-CD2 4.06Å; W73-L100 HydrophobicContact CG-CG 4.4Å; W73-L100 HydrophobicContact CH2-CB 3.57Å; W73-L100 HydrophobicContact CZ2-CB 3.58Å; W73-L100 VanDerWaalsContact CZ2-N 3.26Å; W73-L100 HydrophobicContact CZ3-CB 3.61Å; W73-L100 HydrophobicContact CZ3-CD2 4.29Å; L100-V102 HydrophobicContact CD2-CG2 3.87Å; L100-V102 HydrophobicContact CG-CG2 3.86Å
101I98.9Very high90.4Very high0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-104.4113.5171-58.9159.3000106.6V6 V8 L23 H24 C31 I32 I33 V99V6-I101 WeakPolarHBondContact O-CA 3.41Å; V8-I101 HydrophobicContact CG2-CG2 3.97Å; L23-I101 HydrophobicContact CB-CD1 3.65Å; H24-I101 HydrophobicContact CB-CD1 4.05Å; C31-I101 PolarHBondContact O-N 2.67Å; I32-I101 CarbonylContact C-O 3.58Å; I32-I101 VanDerWaalsContact CA-O 3.27Å; I32-I101 WeakPolarHBondContact CA-O 3.41Å; I32-I101 HydrophobicContact CG1-CB 4.26Å; I32-I101 HydrophobicContact CG1-CD1 4.35Å; I33-I101 PolarHBondContact N-O 3Å; V99-I101 HydrophobicContact CG1-CG1 4.3Å
102V98.8Very high91.4Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-104.9122.3172.6-170.10000107.6I5 V6 G7 V8 I33 M66 V70 L100 I107 L113 F117I5-V102 HydrophobicContact CG2-CG2 4.02Å; V6-V102 PolarHBondContact O-N 3.2Å; G7-V102 CarbonylContact C-O 3.55Å; G7-V102 WeakPolarHBondContact CA-O 3.3Å; V8-V102 PolarHBondContact N-O 3.35Å; I33-V102 WeakPolarHBondContact O-CA 3.43Å; M66-V102 HydrophobicContact CE-CG1 3.25Å; V70-V102 HydrophobicContact CG2-CG2 4.24Å; L100-V102 HydrophobicContact CD2-CG2 3.87Å; L100-V102 HydrophobicContact CG-CG2 3.86Å; V102-I107 HydrophobicContact CG1-CG2 4.25Å; V102-I107 VanDerWaalsContact O-CD1 3.24Å; V102-I107 WeakPolarHBondContact O-CD1 3.43Å; V102-L113 HydrophobicContact CG1-CD1 4.47Å; V102-L113 HydrophobicContact CG1-CD2 4.26Å; V102-F117 HydrophobicContact CB-CE1 3.66Å; V102-F117 HydrophobicContact CB-CZ 3.94Å; V102-F117 HydrophobicContact CG1-CE1 4.39Å; V102-F117 HydrophobicContact CG1-CZ 4.19Å; V102-F117 HydrophobicContact CG2-CE1 3.82Å; V102-F117 HydrophobicContact CG2-CZ 4.4Å
103E98.7Very high92.5Very high16 Ų1636.1 Ų36.18%0.07518%0.181CC..EExtended strand (participates in β ladder)trans-120149.4-179.673.3154.5-165.900113.1V8 S17 S20 I32 I33 A34 Q35V8-E103 HydrophobicContact CB-CB 4.15Å; V8-E103 WeakPolarHBondContact O-CA 3.49Å; S17-E103 WeakPolarHBondContact CA-OE2 3.34Å; S17-E103 VanDerWaalsContact CB-OE1 3.31Å; S17-E103 WeakPolarHBondContact CB-OE1 3.23Å; S17-E103 PolarHBondContact N-OE2 2.87Å; S17-E103 PolarHBondContact OG-OE1 3.13Å; S17-E103 PolarHBondContact OG-OE2 3.37Å; S20-E103 VanDerWaalsContact CB-OE2 3.32Å; S20-E103 WeakPolarHBondContact CB-OE2 3.18Å; S20-E103 WeakPolarHBondContact OG-CB 3.48Å; S20-E103 PolarHBondContact OG-OE2 3.15Å; I32-E103 HydrophobicContact CG2-CG 4.26Å; I33-E103 PolarHBondContact O-N 3.1Å; A34-E103 HydrophobicContact CB-CG 3.87Å; Q35-E103 VanDerWaalsContact CB-O 3.26Å; Q35-E103 WeakPolarHBondContact CB-O 3.47Å; Q35-E103 PolarHBondContact N-O 3.27Å
104G98.4Very high93.5Very high1 Ų133.5 Ų33.51%0.0117%0.165CC..  trans164.8170.9175.600000112.5V8 G9 K16V8-G104 PolarHBondContact O-N 2.92Å; G9-G104 WeakPolarHBondContact CA-O 3.35Å; K16-G104 WeakPolarHBondContact CD-O 3.47Å
105F98.1Very high94.9Very high32 Ų3232.8 Ų32.814%0.1416%0.157CC..SBendtrans-90.8-14.6-177.171-76.7000113.3G10 F39 D56G10-F105 WeakPolarHBondContact O-CA 3.48Å; G10-F105 WeakPolarHBondContact O-CB 3.34Å; F39-F105 HydrophobicContact CE1-CZ 4.47Å; F39-F105 HydrophobicContact CE2-CE1 4.35Å; F39-F105 AromaticContact CZ-CE1 3.67Å; F39-F105 HydrophobicContact CZ-CE1 3.67Å; F39-F105 AromaticContact CZ-CZ 3.95Å; F39-F105 HydrophobicContact CZ-CZ 3.95Å; D56-F105 HydrophobicContact CB-CE2 3.93Å
106L98.1Very high96.5Very high1 Ų126.2 Ų26.21%0.00512%0.122CC..SBendtrans-122.69.9178.6-61.8175.7000114.1L58 L61 F108 N109 N159L58-L106 HydrophobicContact CD2-CB 3.83Å; L58-L106 HydrophobicContact CD2-CD1 4.32Å; L61-L106 HydrophobicContact CD1-CD1 4.12Å; L106-F108 PolarHBondContact O-N 2.88Å; L106-F108 VanDerWaalsContact O-N 3.13Å; L106-N109 WeakPolarHBondContact O-CB 3.31Å; L106-N109 PolarHBondContact O-N 2.83Å; L106-N159 HydrophobicContact CD2-CB 3.77Å; L106-N159 VanDerWaalsContact CD2-ND2 3.28Å; L106-N159 WeakPolarHBondContact CD2-ND2 3.22Å
107I98.3Very high97.2Very high1 Ų124.7 Ų24.71%0.00511%0.114CC..THydrogen-bonded Turntrans-61.4-25.6-173.358.7170.8000113.6Q35 M66 V102 L113 F117Q35-I107 HydrophobicContact CB-CG2 4.01Å; Q35-I107 HydrophobicContact CG-CG2 4.35Å; M66-I107 HydrophobicContact CE-CG2 4Å; V102-I107 HydrophobicContact CG1-CG2 4.25Å; V102-I107 VanDerWaalsContact O-CD1 3.24Å; V102-I107 WeakPolarHBondContact O-CD1 3.43Å; I107-L113 HydrophobicContact CB-CD2 3.95Å; I107-L113 HydrophobicContact CG2-CD2 4.14Å; I107-F117 HydrophobicContact CB-CE2 4.45Å; I107-F117 HydrophobicContact CB-CZ 4.31Å; I107-F117 HydrophobicContact CD1-CE2 4.49Å; I107-F117 HydrophobicContact CD1-CZ 4.1Å
108F98.4Very high97.4Very high2 Ų228.3 Ų28.31%0.00913%0.134CC..THydrogen-bonded Turntrans-89.6-8.6177.3-58.2-38.7000113.7L106 F117 R120 Y121 F122 M163 T167 I170L106-F108 PolarHBondContact O-N 2.88Å; L106-F108 VanDerWaalsContact O-N 3.13Å; F108-F117 AromaticContact CD1-CD2 3.75Å; F108-F117 HydrophobicContact CD1-CD2 3.75Å; F108-F117 AromaticContact CD1-CE2 3.65Å; F108-F117 HydrophobicContact CD1-CE2 3.65Å; F108-F117 AromaticContact CE1-CD2 3.62Å; F108-F117 HydrophobicContact CE1-CD2 3.62Å; F108-F117 AromaticContact CE1-CE2 3.64Å; F108-F117 HydrophobicContact CE1-CE2 3.64Å; F108-F117 HydrophobicContact CE1-CG 4.32Å; F108-F117 HydrophobicContact CE1-CZ 4.36Å; F108-R120 HydrophobicContact CD1-CG 4.33Å; F108-R120 HydrophobicContact CE1-CB 3.87Å; F108-R120 HydrophobicContact CE1-CG 3.69Å; F108-R120 HydrophobicContact CE2-CB 4.36Å; F108-R120 HydrophobicContact CZ-CB 3.68Å; F108-R120 HydrophobicContact CZ-CG 4.06Å; F108-Y121 WeakPolarHBondContact CE2-O 3.37Å; F108-F122 AromaticContact CD2-CD2 3.81Å; F108-F122 HydrophobicContact CD2-CD2 3.81Å; F108-F122 HydrophobicContact CD2-CE2 4.47Å; F108-F122 HydrophobicContact CE2-CB 4.35Å; F108-F122 AromaticContact CE2-CD2 3.94Å; F108-F122 HydrophobicContact CE2-CD2 3.94Å; F108-M163 HydrophobicContact CB-CG 3.63Å; F108-M163 HydrophobicContact CB-SD 3.89Å; F108-M163 HydrophobicContact CD2-SD 3.78Å; F108-M163 HydrophobicContact CG-SD 4.34Å; F108-T167 PolarHBondContact O-OG1 3.15Å; F108-I170 HydrophobicContact CD2-CD1 4.14Å
109N97.8Very high97.6Very high16 Ų1629.5 Ų29.59%0.08614%0.14CC..THydrogen-bonded Turntrans-84.7-17.8174.3-64.689.5000112.5L58 L106 R111 N159L58-N109 HydrophobicContact CD1-CB 4.28Å; L106-N109 WeakPolarHBondContact O-CB 3.31Å; L106-N109 PolarHBondContact O-N 2.83Å; N109-R111 PolarHBondContact O-N 2.94Å; N109-N159 PolarHBondContact ND2-O 3.17Å
110H97.3Very high97.6Very high39 Ų3930.8 Ų30.818%0.18115%0.145CC..SBendtrans-9298178.9-170.765.4000110.8L58 M63 L113 N114L58-H110 HydrophobicContact CD1-CB 4.08Å; L58-H110 HydrophobicContact CD2-CB 4.07Å; M63-H110 HydrophobicContact CE-CB 3.66Å; H110-L113 HydrophobicContact CB-CB 4.29Å; H110-L113 PolarHBondContact O-N 3.23Å; H110-N114 PolarHBondContact O-N 3.32Å
111R94.8Very high97.6Very high171 Ų17131 Ų3165%0.64515%0.145SC*.Hα-helixtrans-48.5-47.8-173.4-177.3179.7173.3-154.7-5.5114.7N109 L113 N114 E115N109-R111 PolarHBondContact O-N 2.94Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 3.21Å; R111-N114 WeakPolarHBondContact O-CB 3.29Å; R111-N114 PolarHBondContact O-N 2.81Å; R111-N114 VanDerWaalsContact O-N 3.15Å; R111-E115 IonicContact CZ-OE1 2.87Å; R111-E115 VanDerWaalsContact CZ-OE1 3.3Å; R111-E115 IonicContact NE-OE1 3.96Å; R111-E115 PolarHBondContact NE-OE1 3.19Å; R111-E115 IonicContact NH2-OE1 3.01Å; R111-E115 PolarHBondContact NH2-OE1 3.07Å; R111-E115 WeakPolarHBondContact O-CG 3.46Å; R111-E115 PolarHBondContact O-N 3.13Å; R111-E115 VanDerWaalsContact O-N 3.07Å
112P96.3Very high97.6Very high61 Ų6131.3 Ų31.340%0.39615%0.147SC..Hα-helixtrans-59.6-37.9178.3-25.535.4000114.1M67 M116M67-P112 HydrophobicContact CE-CB 3.82Å; M67-P112 HydrophobicContact SD-CB 4.49Å; P112-M116 WeakPolarHBondContact O-CG 3.47Å
113L97Very high97.6Very high0 Ų031.7 Ų31.70%015%0.149CC..Hα-helixtrans-71.7-40.9175.8178.558.9000110.6M63 M66 M67 V70 V102 I107 H110 R111 E115 M116 F117M63-L113 HydrophobicContact CE-CD2 4.26Å; M66-L113 HydrophobicContact CE-CD2 3.98Å; M66-L113 HydrophobicContact SD-CD2 4.45Å; M67-L113 VanDerWaalsContact SD-CA 3.6Å; M67-L113 HydrophobicContact SD-CB 3.58Å; M67-L113 VanDerWaalsContact SD-CB 3.58Å; M67-L113 HydrophobicContact SD-CD1 3.96Å; M67-L113 HydrophobicContact SD-CG 4.34Å; V70-L113 HydrophobicContact CG1-CD1 4.18Å; V70-L113 HydrophobicContact CG2-CD1 4.03Å; V102-L113 HydrophobicContact CG1-CD1 4.47Å; V102-L113 HydrophobicContact CG1-CD2 4.26Å; I107-L113 HydrophobicContact CB-CD2 3.95Å; I107-L113 HydrophobicContact CG2-CD2 4.14Å; H110-L113 HydrophobicContact CB-CB 4.29Å; H110-L113 PolarHBondContact O-N 3.23Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 3.21Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.18Å; L113-M116 WeakPolarHBondContact O-CB 3.5Å; L113-M116 PolarHBondContact O-N 2.96Å; L113-F117 HydrophobicContact CD1-CE1 4.43Å; L113-F117 HydrophobicContact CD1-CE2 4.43Å; L113-F117 HydrophobicContact CD1-CZ 3.91Å; L113-F117 HydrophobicContact CD2-CE2 4.41Å; L113-F117 HydrophobicContact CD2-CZ 4.09Å; L113-F117 HydrophobicContact CG-CE2 3.81Å; L113-F117 HydrophobicContact CG-CZ 3.66Å
114N93.8Very high97.5Very high11 Ų1132.9 Ų32.96%0.05915%0.154CC..Hα-helixtrans-60.8-37.4-178.2-168.435.9000112.8H110 R111 M116 F117 R120 T167H110-N114 PolarHBondContact O-N 3.32Å; R111-N114 WeakPolarHBondContact O-CB 3.29Å; R111-N114 PolarHBondContact O-N 2.81Å; R111-N114 VanDerWaalsContact O-N 3.15Å; N114-M116 PolarHBondContact O-N 2.93Å; N114-F117 PolarHBondContact O-N 2.96Å; N114-R120 PolarHBondContact O-NH2 3.47Å; N114-R120 PolarHBondContact OD1-NE 3.31Å; N114-T167 WeakPolarHBondContact ND2-CB 3.2Å; N114-T167 VanDerWaalsContact ND2-CG2 3.29Å; N114-T167 WeakPolarHBondContact ND2-CG2 3.5Å; N114-T167 PolarHBondContact ND2-OG1 3.47Å; N114-T167 VanDerWaalsContact OD1-CG2 3.31Å; N114-T167 WeakPolarHBondContact OD1-CG2 3.35Å
115E95.4Very high97.5Very high125 Ų12533.2 Ų33.258%0.58416%0.156SC*.THydrogen-bonded Turntrans-66.5-10.3175.5-70.3175.417900113.3R111 L113R111-E115 IonicContact CZ-OE1 2.87Å; R111-E115 VanDerWaalsContact CZ-OE1 3.3Å; R111-E115 IonicContact NE-OE1 3.96Å; R111-E115 PolarHBondContact NE-OE1 3.19Å; R111-E115 IonicContact NH2-OE1 3.01Å; R111-E115 PolarHBondContact NH2-OE1 3.07Å; R111-E115 WeakPolarHBondContact O-CG 3.46Å; R111-E115 PolarHBondContact O-N 3.13Å; R111-E115 VanDerWaalsContact O-N 3.07Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.18Å
116M97.1Very high97.5Very high18 Ų1834.8 Ų34.89%0.08917%0.169CC..THydrogen-bonded Turntrans-93.1-16.1177.6-55.5-176.774.600113.9I5 M67 V70 K74 P112 L113 N114I5-M116 HydrophobicContact CD1-CB 4.24Å; I5-M116 HydrophobicContact CD1-CE 4.41Å; M67-M116 HydrophobicContact CE-SD 3.55Å; M67-M116 VanDerWaalsContact CE-SD 3.55Å; M67-M116 HydrophobicContact SD-SD 4.2Å; V70-M116 HydrophobicContact CB-CE 4.48Å; V70-M116 HydrophobicContact CB-SD 4.49Å; V70-M116 HydrophobicContact CG1-CE 3.52Å; V70-M116 HydrophobicContact CG1-SD 3.67Å; K74-M116 HydrophobicContact CB-CE 4.29Å; K74-M116 HydrophobicContact CD-CE 3.51Å; P112-M116 WeakPolarHBondContact O-CG 3.47Å; L113-M116 WeakPolarHBondContact O-CB 3.5Å; L113-M116 PolarHBondContact O-N 2.96Å; N114-M116 PolarHBondContact O-N 2.93Å
117F98.4Very high97.5Very high9 Ų938.1 Ų38.14%0.03918%0.182CC..  trans-77132.1-176.3-67-53.2000112.7I5 V102 I107 F108 L113 N114 R120I5-F117 HydrophobicContact CG2-CD1 3.66Å; I5-F117 HydrophobicContact CG2-CE1 3.87Å; V102-F117 HydrophobicContact CB-CE1 3.66Å; V102-F117 HydrophobicContact CB-CZ 3.94Å; V102-F117 HydrophobicContact CG1-CE1 4.39Å; V102-F117 HydrophobicContact CG1-CZ 4.19Å; V102-F117 HydrophobicContact CG2-CE1 3.82Å; V102-F117 HydrophobicContact CG2-CZ 4.4Å; I107-F117 HydrophobicContact CB-CE2 4.45Å; I107-F117 HydrophobicContact CB-CZ 4.31Å; I107-F117 HydrophobicContact CD1-CE2 4.49Å; I107-F117 HydrophobicContact CD1-CZ 4.1Å; F108-F117 AromaticContact CD1-CD2 3.75Å; F108-F117 HydrophobicContact CD1-CD2 3.75Å; F108-F117 AromaticContact CD1-CE2 3.65Å; F108-F117 HydrophobicContact CD1-CE2 3.65Å; F108-F117 AromaticContact CE1-CD2 3.62Å; F108-F117 HydrophobicContact CE1-CD2 3.62Å; F108-F117 AromaticContact CE1-CE2 3.64Å; F108-F117 HydrophobicContact CE1-CE2 3.64Å; F108-F117 HydrophobicContact CE1-CG 4.32Å; F108-F117 HydrophobicContact CE1-CZ 4.36Å; L113-F117 HydrophobicContact CD1-CE1 4.43Å; L113-F117 HydrophobicContact CD1-CE2 4.43Å; L113-F117 HydrophobicContact CD1-CZ 3.91Å; L113-F117 HydrophobicContact CD2-CE2 4.41Å; L113-F117 HydrophobicContact CD2-CZ 4.09Å; L113-F117 HydrophobicContact CG-CE2 3.81Å; L113-F117 HydrophobicContact CG-CZ 3.66Å; N114-F117 PolarHBondContact O-N 2.96Å; F117-R120 HydrophobicContact CB-CG 3.87Å; F117-R120 HydrophobicContact CD2-CG 4.44Å; F117-R120 HydrophobicContact CG-CG 4.37Å; F117-R120 PolarHBondContact O-NH2 2.93Å
118D98Very high97.5Very high91 Ų9143.7 Ų43.749%0.48721%0.212SC..SBendtrans-88.7-34.1169.9-57.4-62.6000110.9I4 I5I4-D118 WeakPolarHBondContact CA-OD2 3.32Å; I4-D118 HydrophobicContact CG2-CB 4.09Å; I5-D118 PolarHBondContact N-OD2 3.17Å; I5-D118 PolarHBondContact O-N 2.82Å
119M98.6Very high97.5Very high25 Ų2545.3 Ų45.312%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-134.8141.4177.5-54.3-17488.900110.7I5 V6 G7 Y121 D189 I190 E193I5-M119 PolarHBondContact O-N 3.24Å; V6-M119 HydrophobicContact CG2-CB 4.41Å; G7-M119 PolarHBondContact N-O 2.82Å; M119-Y121 HydrophobicContact CB-CE2 4Å; M119-Y121 WeakPolarHBondContact CE-OH 3.29Å; M119-D189 HydrophobicContact CE-CB 4.47Å; M119-D189 WeakPolarHBondContact CE-OD2 3.44Å; M119-I190 HydrophobicContact CE-CG1 4.47Å; M119-I190 HydrophobicContact SD-CB 4.32Å; M119-I190 HydrophobicContact SD-CG1 3.84Å; M119-E193 HydrophobicContact CE-CB 4.1Å; M119-E193 HydrophobicContact SD-CB 3.9Å; M119-E193 HydrophobicContact SD-CG 4.04Å
120R98.7Very high97.6Very high28 Ų2844.5 Ų44.511%0.10622%0.218CC..EExtended strand (participates in β ladder)trans-130.6119.6-176.5-60.9177.5-172.569.910.8110.5F108 N114 F117 T167 I170 V171F108-R120 HydrophobicContact CD1-CG 4.33Å; F108-R120 HydrophobicContact CE1-CB 3.87Å; F108-R120 HydrophobicContact CE1-CG 3.69Å; F108-R120 HydrophobicContact CE2-CB 4.36Å; F108-R120 HydrophobicContact CZ-CB 3.68Å; F108-R120 HydrophobicContact CZ-CG 4.06Å; N114-R120 PolarHBondContact O-NH2 3.47Å; N114-R120 PolarHBondContact OD1-NE 3.31Å; F117-R120 HydrophobicContact CB-CG 3.87Å; F117-R120 HydrophobicContact CD2-CG 4.44Å; F117-R120 HydrophobicContact CG-CG 4.37Å; F117-R120 PolarHBondContact O-NH2 2.93Å; R120-T167 VanDerWaalsContact CD-CG2 3.5Å; R120-I170 HydrophobicContact CB-CG1 4.13Å; R120-V171 PolarHBondContact O-N 3.11Å
121Y98.8Very high97.6Very high4 Ų446.1 Ų46.12%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-117.1138.9174.9-58.7-78.8000110.1V6 G7 G9 F108 M119 V171 L173 V186 D189 I190V6-Y121 HydrophobicContact CG1-CD2 3.7Å; V6-Y121 HydrophobicContact CG1-CE2 3.65Å; G7-Y121 PolarHBondContact O-N 3.48Å; G9-Y121 WeakPolarHBondContact CA-O 3.43Å; G9-Y121 PolarHBondContact N-O 3Å; F108-Y121 WeakPolarHBondContact CE2-O 3.37Å; M119-Y121 HydrophobicContact CB-CE2 4Å; M119-Y121 WeakPolarHBondContact CE-OH 3.29Å; Y121-V171 CarbonylContact C-O 3.58Å; Y121-V171 WeakPolarHBondContact CA-O 3.41Å; Y121-V171 HydrophobicContact CD1-CB 3.79Å; Y121-V171 HydrophobicContact CD1-CG1 4.06Å; Y121-V171 HydrophobicContact CD1-CG2 4.42Å; Y121-V171 HydrophobicContact CE1-CB 4.13Å; Y121-V171 HydrophobicContact CE1-CG1 4.31Å; Y121-V171 HydrophobicContact CE1-CG2 4.31Å; Y121-L173 HydrophobicContact CD1-CD1 4.27Å; Y121-L173 HydrophobicContact CG-CD1 4.43Å; Y121-V186 HydrophobicContact CD1-CG1 4.05Å; Y121-V186 HydrophobicContact CD1-CG2 4.06Å; Y121-V186 HydrophobicContact CD2-CG1 3.95Å; Y121-V186 HydrophobicContact CE1-CB 4.47Å; Y121-V186 HydrophobicContact CE1-CG1 3.92Å; Y121-V186 HydrophobicContact CE1-CG2 4.29Å; Y121-V186 HydrophobicContact CE2-CG1 3.81Å; Y121-V186 HydrophobicContact CG-CG1 4.06Å; Y121-D189 WeakPolarHBondContact OH-CB 3.41Å; Y121-D189 PolarHBondContact OH-OD2 2.79Å; Y121-I190 HydrophobicContact CE2-CD1 3.94Å; Y121-I190 HydrophobicContact CE2-CG1 3.89Å; Y121-I190 WeakPolarHBondContact OH-CG1 3.49Å
122F98.8Very high97.8Very high6 Ų642.5 Ų42.53%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-132114-179.9-165.4-87.6000111.8G9 G10 F108 E124 Y156 M163 I170 V171 F172 L173G9-F122 WeakPolarHBondContact O-CA 3.26Å; G10-F122 VanDerWaalsContact N-CD2 3.33Å; F108-F122 AromaticContact CD2-CD2 3.81Å; F108-F122 HydrophobicContact CD2-CD2 3.81Å; F108-F122 HydrophobicContact CD2-CE2 4.47Å; F108-F122 HydrophobicContact CE2-CB 4.35Å; F108-F122 AromaticContact CE2-CD2 3.94Å; F108-F122 HydrophobicContact CE2-CD2 3.94Å; F122-E124 HydrophobicContact CD1-CG 3.66Å; F122-E124 HydrophobicContact CE1-CG 4.01Å; F122-Y156 HydrophobicContact CE1-CE2 4.14Å; F122-Y156 AromaticContact CZ-CE2 3.98Å; F122-Y156 HydrophobicContact CZ-CE2 3.98Å; F122-M163 HydrophobicContact CD2-CE 4Å; F122-M163 HydrophobicContact CD2-SD 3.53Å; F122-M163 VanDerWaalsContact CD2-SD 3.53Å; F122-M163 HydrophobicContact CE1-CE 4.43Å; F122-M163 HydrophobicContact CE2-CE 3.86Å; F122-M163 HydrophobicContact CE2-SD 3.34Å; F122-M163 WeakPolarHBondContact CE2-SD 3.37Å; F122-M163 HydrophobicContact CG-CE 4.34Å; F122-M163 HydrophobicContact CG-SD 4.39Å; F122-M163 HydrophobicContact CZ-CE 4.07Å; F122-M163 HydrophobicContact CZ-SD 4.1Å; F122-I170 HydrophobicContact CB-CG2 3.47Å; F122-I170 VanDerWaalsContact CB-CG2 3.47Å; F122-I170 HydrophobicContact CG-CG2 4.48Å; F122-V171 PolarHBondContact N-O 3.27Å; F122-F172 HydrophobicContact CB-CD1 4.03Å; F122-F172 HydrophobicContact CB-CE1 4.24Å; F122-F172 AromaticContact CD1-CD1 3.93Å; F122-F172 HydrophobicContact CD1-CD1 3.93Å; F122-F172 AromaticContact CD1-CE1 3.96Å; F122-F172 HydrophobicContact CD1-CE1 3.96Å; F122-F172 HydrophobicContact CG-CD1 4.32Å; F122-F172 HydrophobicContact CG-CE1 4.24Å; F122-L173 PolarHBondContact O-N 3.47Å
123L98.6Very high97.8Very high8 Ų843.4 Ų43.44%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-80.6127.9178.5-80.1160.9000112.2G9 G10 V11 K16 L19 L173 V182G9-L123 PolarHBondContact O-N 3.09Å; G10-L123 CarbonylContact C-O 3.55Å; G10-L123 WeakPolarHBondContact CA-O 3.42Å; V11-L123 PolarHBondContact N-O 2.81Å; K16-L123 HydrophobicContact CG-CD1 4.18Å; L19-L123 HydrophobicContact CB-CD1 4.46Å; L19-L123 HydrophobicContact CD2-CD1 4.2Å; L123-L173 HydrophobicContact CD2-CB 3.81Å; L123-L173 HydrophobicContact CD2-CD1 4.22Å; L123-L173 HydrophobicContact CG-CB 4.32Å; L123-L173 HydrophobicContact CG-CD1 4.27Å; L123-V182 HydrophobicContact CD2-CG1 4.19Å
124E97.6Very high97.8Very high42 Ų4244 Ų4420%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-121.2139.3-179.7-53.2-158.712200111.6F122 R160 F172 L173 G175F122-E124 HydrophobicContact CD1-CG 3.66Å; F122-E124 HydrophobicContact CE1-CG 4.01Å; E124-R160 IonicContact OE1-CZ 2.79Å; E124-R160 IonicContact OE1-NE 3.81Å; E124-R160 IonicContact OE1-NH1 2.81Å; E124-R160 PolarHBondContact OE1-NH1 3Å; E124-R160 IonicContact OE1-NH2 2.87Å; E124-R160 PolarHBondContact OE1-NH2 2.62Å; E124-R160 IonicContact OE2-NH1 3.51Å; E124-R160 IonicContact OE2-NH2 3.2Å; E124-F172 VanDerWaalsContact CD-CD1 3.49Å; E124-F172 HydrophobicContact CG-CD1 4.08Å; E124-F172 WeakPolarHBondContact OE1-CD1 3.48Å; E124-L173 PolarHBondContact N-O 2.59Å; E124-G175 WeakPolarHBondContact O-CA 3.3Å; E124-G175 PolarHBondContact O-N 2.82Å
125I98Very high98Very high7 Ų748 Ų484%0.03624%0.242CC..  trans-140.5149.5167.749.4170.3000108.8V11 V129 C130 L176V11-I125 HydrophobicContact CG1-CD1 4.2Å; V11-I125 HydrophobicContact CG1-CG1 3.39Å; I125-V129 HydrophobicContact CB-CB 4.46Å; I125-V129 HydrophobicContact CB-CG1 4.37Å; I125-V129 HydrophobicContact CD1-CG1 4.2Å; I125-C130 HydrophobicContact CD1-CB 3.77Å; I125-C130 HydrophobicContact CG1-CB 4Å; I125-L176 HydrophobicContact CB-CD2 4.46Å; I125-L176 HydrophobicContact CG2-CD2 4Å; I125-L176 HydrophobicContact CG2-CG 4.49Å
126P98.3Very high98Very high65 Ų6549 Ų4942%0.42225%0.248SC..  trans-61.4155.9176.7-23.734.8000112.8D128 V129 C130 L176P126-D128 PolarHBondContact O-N 2.69Å; P126-V129 PolarHBondContact O-N 3.37Å; P126-V129 VanDerWaalsContact O-N 3.12Å; P126-C130 PolarHBondContact O-N 3.28Å; P126-L176 HydrophobicContact CG-CD1 3.87Å
127Y98.6Very high97.8Very high72 Ų7253.8 Ų53.828%0.28227%0.266SS..Hα-helixtrans-44.5-53.8179168.4-98.1000113.3V129 C130 K131 F148 D149 W153Y127-V129 VanDerWaalsContact C-N 3.31Å; Y127-V129 PolarHBondContact O-N 2.9Å; Y127-C130 WeakPolarHBondContact O-CB 3.33Å; Y127-C130 PolarHBondContact O-N 3.39Å; Y127-C130 VanDerWaalsContact O-N 3.17Å; Y127-K131 HydrophobicContact CE1-CD 4.18Å; Y127-K131 WeakPolarHBondContact O-CB 3.36Å; Y127-K131 PolarHBondContact O-N 2.93Å; Y127-K131 PolarHBondContact OH-NZ 3.37Å; Y127-F148 AromaticContact CD2-CE1 3.71Å; Y127-F148 HydrophobicContact CD2-CE1 3.71Å; Y127-F148 HydrophobicContact CD2-CZ 4.5Å; Y127-F148 HydrophobicContact CE2-CD1 4.01Å; Y127-F148 AromaticContact CE2-CE1 3.52Å; Y127-F148 HydrophobicContact CE2-CE1 3.52Å; Y127-D149 PolarHBondContact OH-OD1 3.36Å; Y127-W153 HydrophobicContact CD2-CB 4.25Å; Y127-W153 AromaticContact CD2-CD1 3.61Å; Y127-W153 AromaticContact CD2-CD2 3.52Å; Y127-W153 HydrophobicContact CD2-CD2 3.52Å; Y127-W153 AromaticContact CD2-CE2 3.6Å; Y127-W153 HydrophobicContact CD2-CE3 4.1Å; Y127-W153 AromaticContact CD2-CG 3.54Å; Y127-W153 HydrophobicContact CD2-CG 3.54Å; Y127-W153 HydrophobicContact CD2-CZ2 4.26Å; Y127-W153 AromaticContact CD2-NE1 3.63Å; Y127-W153 HydrophobicContact CE2-CB 4.21Å; Y127-W153 AromaticContact CE2-CD1 3.99Å; Y127-W153 HydrophobicContact CE2-CD2 4.35Å; Y127-W153 AromaticContact CE2-CG 3.92Å; Y127-W153 HydrophobicContact CE2-CG 3.92Å; Y127-W153 HydrophobicContact CG-CD2 4.42Å; Y127-W153 HydrophobicContact CG-CZ2 4.43Å
128D98.4Very high97.6Very high118 Ų11859.7 Ų59.763%0.63130%0.302SS*.Hα-helixtrans-62.5-39.3-174.9-63.3-44.4000112.1P126 M132P126-D128 PolarHBondContact O-N 2.69Å; D128-M132 VanDerWaalsContact O-CB 3.29Å; D128-M132 WeakPolarHBondContact O-CB 3.45Å; D128-M132 PolarHBondContact O-N 3.27Å
129V98.3Very high97.4Very high35 Ų3557.8 Ų57.821%0.21229%0.288CS..Hα-helixtrans-69.7-42.6177.9-178.50000110.3I125 P126 Y127 M132 R133 L176I125-V129 HydrophobicContact CB-CB 4.46Å; I125-V129 HydrophobicContact CB-CG1 4.37Å; I125-V129 HydrophobicContact CD1-CG1 4.2Å; P126-V129 PolarHBondContact O-N 3.37Å; P126-V129 VanDerWaalsContact O-N 3.12Å; Y127-V129 VanDerWaalsContact C-N 3.31Å; Y127-V129 PolarHBondContact O-N 2.9Å; V129-M132 PolarHBondContact O-N 2.66Å; V129-R133 HydrophobicContact CG1-CG 4.35Å; V129-R133 WeakPolarHBondContact O-CB 3.46Å; V129-R133 VanDerWaalsContact O-CG 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.31Å; V129-R133 PolarHBondContact O-N 2.78Å; V129-L176 HydrophobicContact CB-CD2 4.29Å; V129-L176 HydrophobicContact CG1-CD2 3.88Å; V129-L176 HydrophobicContact CG2-CD2 3.98Å
130C98.4Very high97.1Very high0 Ų061.5 Ų61.50%032%0.323CS..Hα-helixtrans-61-48.6176.4-173.80000111.1T12 I125 P126 Y127 M132 R133 R134 F148 W153T12-C130 VanDerWaalsContact CG2-SG 3.58Å; T12-C130 PolarHBondContact O-SG 3.36Å; I125-C130 HydrophobicContact CD1-CB 3.77Å; I125-C130 HydrophobicContact CG1-CB 4Å; P126-C130 PolarHBondContact O-N 3.28Å; Y127-C130 WeakPolarHBondContact O-CB 3.33Å; Y127-C130 PolarHBondContact O-N 3.39Å; Y127-C130 VanDerWaalsContact O-N 3.17Å; C130-M132 PolarHBondContact O-N 2.93Å; C130-R133 PolarHBondContact O-N 2.92Å; C130-R134 VanDerWaalsContact O-CB 3.26Å; C130-R134 WeakPolarHBondContact O-CB 3.26Å; C130-R134 PolarHBondContact O-N 3.37Å; C130-F148 HydrophobicContact CB-CE2 4.48Å; C130-F148 HydrophobicContact CB-CZ 3.94Å; C130-W153 HydrophobicContact CB-CZ3 3.94Å
131K98.4Very high96.8Very high72 Ų7262.8 Ų62.831%0.31334%0.335SS..Hα-helixtrans-57.6-49.3177.5-171.2170.1-177.2167.60111.9Y127 R134 S135 F148 D149Y127-K131 HydrophobicContact CE1-CD 4.18Å; Y127-K131 WeakPolarHBondContact O-CB 3.36Å; Y127-K131 PolarHBondContact O-N 2.93Å; Y127-K131 PolarHBondContact OH-NZ 3.37Å; K131-R134 PolarHBondContact O-N 2.98Å; K131-S135 PolarHBondContact O-N 3.5Å; K131-F148 HydrophobicContact CB-CD1 3.78Å; K131-F148 HydrophobicContact CB-CE1 3.45Å; K131-F148 VanDerWaalsContact CB-CE1 3.45Å; K131-F148 HydrophobicContact CB-CG 4.47Å; K131-F148 HydrophobicContact CB-CZ 3.92Å; K131-F148 HydrophobicContact CD-CD1 3.88Å; K131-F148 HydrophobicContact CD-CE1 4.19Å; K131-F148 HydrophobicContact CG-CD1 3.61Å; K131-F148 HydrophobicContact CG-CE1 3.86Å; K131-F148 HydrophobicContact CG-CG 4.18Å; K131-D149 WeakPolarHBondContact CE-OD1 3.48Å; K131-D149 IonicContact NZ-OD1 2.9Å; K131-D149 PolarHBondContact NZ-OD1 3.49Å; K131-D149 IonicContact NZ-OD2 3.2Å; K131-D149 PolarHBondContact NZ-OD2 3.19Å
132M98.1Very high96.6Very high95 Ų9567 Ų6747%0.46836%0.363SS..Hα-helixtrans-58.9-51.7177-179.6-167.669.500111.1D128 V129 C130 R134 S135 M136D128-M132 VanDerWaalsContact O-CB 3.29Å; D128-M132 WeakPolarHBondContact O-CB 3.45Å; D128-M132 PolarHBondContact O-N 3.27Å; V129-M132 PolarHBondContact O-N 2.66Å; C130-M132 PolarHBondContact O-N 2.93Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.45Å; M132-S135 PolarHBondContact O-N 3.34Å; M132-S135 PolarHBondContact O-OG 3.31Å; M132-M136 HydrophobicContact CG-CE 3.93Å; M132-M136 PolarHBondContact O-N 3.4Å; M132-M136 HydrophobicContact SD-CE 4.4Å
133R97.3Very high96.4Very high81 Ų8169.2 Ų69.231%0.30638%0.375SS..Hα-helixtrans-63.5-37-179.8-70.3-179.3-176.8-178.15.5112.4N13 V129 C130 M136 G175N13-R133 HydrophobicContact CB-CB 3.78Å; N13-R133 PolarHBondContact ND2-O 2.98Å; N13-R133 WeakPolarHBondContact O-CD 3.4Å; N13-R133 PolarHBondContact O-NH1 3.23Å; V129-R133 HydrophobicContact CG1-CG 4.35Å; V129-R133 WeakPolarHBondContact O-CB 3.46Å; V129-R133 VanDerWaalsContact O-CG 3.3Å; V129-R133 WeakPolarHBondContact O-CG 3.31Å; V129-R133 PolarHBondContact O-N 2.78Å; C130-R133 PolarHBondContact O-N 2.92Å; R133-M136 PolarHBondContact O-N 2.59Å; R133-G175 PolarHBondContact NH2-O 2.99Å
134R97.1Very high96.2Very high12 Ų1271.4 Ų71.45%0.04539%0.39CS..Hα-helixtrans-65.9-43.2176.5179133.6177.7165.614.2111.4C130 K131 M132 M136 R137 Y139 D143 F148C130-R134 VanDerWaalsContact O-CB 3.26Å; C130-R134 WeakPolarHBondContact O-CB 3.26Å; C130-R134 PolarHBondContact O-N 3.37Å; K131-R134 PolarHBondContact O-N 2.98Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.45Å; R134-M136 PolarHBondContact O-N 2.84Å; R134-M136 VanDerWaalsContact O-N 3.11Å; R134-R137 PolarHBondContact O-N 3.25Å; R134-Y139 HydrophobicContact CG-CE2 4.06Å; R134-D143 IonicContact CZ-OD1 2.95Å; R134-D143 IonicContact CZ-OD2 3.3Å; R134-D143 IonicContact NE-OD1 2.95Å; R134-D143 IonicContact NE-OD2 2.8Å; R134-D143 PolarHBondContact NE-OD2 3.24Å; R134-D143 IonicContact NH2-OD1 2.68Å; R134-D143 PolarHBondContact NH2-OD1 2.77Å; R134-D143 IonicContact NH2-OD2 3.41Å; R134-D143 PolarHBondContact NH2-OD2 2.96Å; R134-F148 HydrophobicContact CB-CD2 4.15Å; R134-F148 HydrophobicContact CB-CE2 4.2Å; R134-F148 HydrophobicContact CG-CD2 3.98Å; R134-F148 HydrophobicContact CG-CE2 4.42Å
135S96.4Very high96.2Very high94 Ų9475.2 Ų75.266%0.65742%0.418SS*.Hα-helixtrans-62.3-19.2176.670.80000114.5K131 M132K131-S135 PolarHBondContact O-N 3.5Å; M132-S135 PolarHBondContact O-N 3.34Å; M132-S135 PolarHBondContact O-OG 3.31Å
136M95.8Very high96.1Very high146 Ų14679.6 Ų79.672%0.71944%0.442SS*.THydrogen-bonded Turntrans-87.5-9.6175.6-65.8176.5179.700113.1M132 R133 R134M132-M136 HydrophobicContact CG-CE 3.93Å; M132-M136 PolarHBondContact O-N 3.4Å; M132-M136 HydrophobicContact SD-CE 4.4Å; R133-M136 PolarHBondContact O-N 2.59Å; R134-M136 PolarHBondContact O-N 2.84Å; R134-M136 VanDerWaalsContact O-N 3.11Å
137R94.5Very high96.1Very high119 Ų11976.8 Ų76.845%0.44942%0.423SS..SBendtrans-101.7136179.7-172.7171.9-176.4-176.1-0.1110R134 Y139R134-R137 PolarHBondContact O-N 3.25Å; R137-Y139 HydrophobicContact CB-CE2 4.07Å; R137-Y139 HydrophobicContact CG-CD2 4.46Å; R137-Y139 HydrophobicContact CG-CE2 4.04Å
138V93.2Very high96.1Very high133 Ų13374.1 Ų74.181%0.80641%0.413SS*.PPolyproline II helixtrans-95120.1172.8-176.60000108.9
139Y93.9Very high96.1Very high51 Ų5171 Ų7120%0.240%0.396CS..PPolyproline II helixtrans-93.7162.9172.1-68.8-92.4000110.7T12 N13 R134 R137 P141 P142T12-Y139 PolarHBondContact OG1-OH 3.43Å; N13-Y139 PolarHBondContact OD1-OH 3.12Å; R134-Y139 HydrophobicContact CG-CE2 4.06Å; R137-Y139 HydrophobicContact CB-CE2 4.07Å; R137-Y139 HydrophobicContact CG-CD2 4.46Å; R137-Y139 HydrophobicContact CG-CE2 4.04Å; Y139-P141 VanDerWaalsContact C-C 3.45Å; Y139-P141 CarbonylContact C-O 3.59Å; Y139-P141 VanDerWaalsContact CB-O 3.3Å; Y139-P141 WeakPolarHBondContact CB-O 3.5Å; Y139-P141 CarbonylContact O-C 3.25Å; Y139-P141 VanDerWaalsContact O-C 3.25Å; Y139-P142 VanDerWaalsContact O-CA 3.3Å; Y139-P142 WeakPolarHBondContact O-CA 3.4Å; Y139-P142 VanDerWaalsContact O-N 3.15Å
140A92.2Very high96Very high103 Ų10370.6 Ų70.685%0.85140%0.399SS*.SBendtrans-126.6108.6172.600000108.9
141P91.9Very high96Very high55 Ų5570.9 Ų70.936%0.35740%0.4SS..SBendcis-65.6158.4-5.131-36.2000112.6D42 Y55 Y139D42-P141 WeakPolarHBondContact OD1-CG 3.38Å; Y55-P141 HydrophobicContact CE2-CG 4.3Å; Y55-P141 WeakPolarHBondContact OH-CD 3.39Å; Y139-P141 VanDerWaalsContact C-C 3.45Å; Y139-P141 CarbonylContact C-O 3.59Å; Y139-P141 VanDerWaalsContact CB-O 3.3Å; Y139-P141 WeakPolarHBondContact CB-O 3.5Å; Y139-P141 CarbonylContact O-C 3.25Å; Y139-P141 VanDerWaalsContact O-C 3.25Å
142P94.1Very high96Very high94 Ų9467.5 Ų67.561%0.6139%0.386SS*.PPolyproline II helixtrans-66147.9177.827.4-34.4000111.4Y139 P144Y139-P142 VanDerWaalsContact O-CA 3.3Å; Y139-P142 WeakPolarHBondContact O-CA 3.4Å; Y139-P142 VanDerWaalsContact O-N 3.15Å; P142-P144 WeakPolarHBondContact O-CD 3.39Å
143D95.8Very high96.1Very high52 Ų5265 Ų6528%0.27837%0.371SS..PPolyproline II helixtrans-56.6123.7176.1-78-8.4000110R134 Y147R134-D143 IonicContact CZ-OD1 2.95Å; R134-D143 IonicContact CZ-OD2 3.3Å; R134-D143 IonicContact NE-OD1 2.95Å; R134-D143 IonicContact NE-OD2 2.8Å; R134-D143 PolarHBondContact NE-OD2 3.24Å; R134-D143 IonicContact NH2-OD1 2.68Å; R134-D143 PolarHBondContact NH2-OD1 2.77Å; R134-D143 IonicContact NH2-OD2 3.41Å; R134-D143 PolarHBondContact NH2-OD2 2.96Å; D143-Y147 HydrophobicContact CB-CD1 4.01Å; D143-Y147 VanDerWaalsContact OD1-CD1 3.26Å; D143-Y147 WeakPolarHBondContact OD1-CD1 3.37Å; D143-Y147 WeakPolarHBondContact OD1-CE1 3.36Å
144P95.1Very high96.1Very high54 Ų5463.9 Ų63.935%0.35137%0.374SS..PPolyproline II helixtrans-69.4166.1174.425.2-29.9000111.5F52 P142 N146 Y147F52-P144 HydrophobicContact CD1-CG 4.21Å; P142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-N146 PolarHBondContact O-N 2.87Å; P144-Y147 HydrophobicContact CG-CD2 3.92Å; P144-Y147 HydrophobicContact CG-CG 4.01Å; P144-Y147 WeakPolarHBondContact O-CB 3.44Å; P144-Y147 PolarHBondContact O-N 2.8Å; P144-Y147 VanDerWaalsContact O-N 3.12Å
145P95.6Very high96.2Very high121 Ų12164.4 Ų64.479%0.78638%0.377SS*.THydrogen-bonded Turntrans-51.2136.7174.9-26.334.9000111.7Y147P145-Y147 PolarHBondContact O-N 3.48Å; P145-Y147 VanDerWaalsContact O-N 3.13Å
146N96.8Very high96.3Very high99 Ų9961 Ų6153%0.52935%0.35SS..THydrogen-bonded Turntrans63.87.8179.3-16058.3000116F52 P144 F148 D149 G150F52-N146 HydrophobicContact CZ-CB 4.34Å; P144-N146 PolarHBondContact O-N 2.87Å; N146-F148 VanDerWaalsContact C-N 3.29Å; N146-F148 PolarHBondContact O-N 3.01Å; N146-D149 PolarHBondContact O-N 3.43Å; N146-G150 WeakPolarHBondContact O-CA 3.49Å; N146-G150 PolarHBondContact O-N 2.95Å
147Y98Very high96.4Very high6 Ų658.2 Ų58.22%0.02434%0.338CS..Hα-helixtrans-60.9-36.4-178.4-171.1-118.7000113.3F52 K53 D143 P144 P145 Y151 V152F52-Y147 HydrophobicContact CB-CD2 3.86Å; F52-Y147 HydrophobicContact CB-CE2 3.82Å; F52-Y147 AromaticContact CD1-CD2 3.61Å; F52-Y147 HydrophobicContact CD1-CD2 3.61Å; F52-Y147 HydrophobicContact CD1-CE2 4.4Å; F52-Y147 HydrophobicContact CE1-CD2 4.31Å; F52-Y147 AromaticContact CG-CD2 3.83Å; F52-Y147 HydrophobicContact CG-CD2 3.83Å; F52-Y147 HydrophobicContact CG-CE2 4.31Å; K53-Y147 WeakPolarHBondContact O-CE2 3.45Å; K53-Y147 PolarHBondContact O-OH 3.06Å; D143-Y147 HydrophobicContact CB-CD1 4.01Å; D143-Y147 VanDerWaalsContact OD1-CD1 3.26Å; D143-Y147 WeakPolarHBondContact OD1-CD1 3.37Å; D143-Y147 WeakPolarHBondContact OD1-CE1 3.36Å; P144-Y147 HydrophobicContact CG-CD2 3.92Å; P144-Y147 HydrophobicContact CG-CG 4.01Å; P144-Y147 WeakPolarHBondContact O-CB 3.44Å; P144-Y147 PolarHBondContact O-N 2.8Å; P144-Y147 VanDerWaalsContact O-N 3.12Å; P145-Y147 PolarHBondContact O-N 3.48Å; P145-Y147 VanDerWaalsContact O-N 3.13Å; Y147-Y151 HydrophobicContact CD2-CD1 4.21Å; Y147-Y151 HydrophobicContact CD2-CG 4.39Å; Y147-Y151 HydrophobicContact CE1-CD1 4.24Å; Y147-Y151 AromaticContact CE2-CD1 3.42Å; Y147-Y151 HydrophobicContact CE2-CD1 3.42Å; Y147-Y151 VanDerWaalsContact CE2-CD1 3.42Å; Y147-Y151 HydrophobicContact CE2-CE1 4.21Å; Y147-Y151 AromaticContact CE2-CG 3.88Å; Y147-Y151 HydrophobicContact CE2-CG 3.88Å; Y147-Y151 AromaticContact CZ-CD1 3.43Å; Y147-Y151 VanDerWaalsContact CZ-CD1 3.43Å; Y147-Y151 AromaticContact CZ-CE1 3.96Å; Y147-Y151 WeakPolarHBondContact O-CA 3.22Å; Y147-Y151 WeakPolarHBondContact O-CB 3.43Å; Y147-Y151 PolarHBondContact O-N 3.43Å; Y147-Y151 WeakPolarHBondContact OH-CD1 3.28Å; Y147-Y151 WeakPolarHBondContact OH-CE1 3.3Å; Y147-V152 HydrophobicContact CD1-CG2 3.59Å; Y147-V152 HydrophobicContact CE1-CG2 3.59Å; Y147-V152 HydrophobicContact CG-CG2 4.36Å; Y147-V152 PolarHBondContact O-N 3Å
148F98.3Very high96.6Very high16 Ų1658.1 Ų58.17%0.0734%0.342CS..Iπ-helixtrans-63.3-52178.6-172.5-94.2000112.2T12 Y127 C130 K131 R134 N146 V152 W153T12-F148 HydrophobicContact CG2-CE2 4.38Å; Y127-F148 AromaticContact CD2-CE1 3.71Å; Y127-F148 HydrophobicContact CD2-CE1 3.71Å; Y127-F148 HydrophobicContact CD2-CZ 4.5Å; Y127-F148 HydrophobicContact CE2-CD1 4.01Å; Y127-F148 AromaticContact CE2-CE1 3.52Å; Y127-F148 HydrophobicContact CE2-CE1 3.52Å; C130-F148 HydrophobicContact CB-CE2 4.48Å; C130-F148 HydrophobicContact CB-CZ 3.94Å; K131-F148 HydrophobicContact CB-CD1 3.78Å; K131-F148 HydrophobicContact CB-CE1 3.45Å; K131-F148 VanDerWaalsContact CB-CE1 3.45Å; K131-F148 HydrophobicContact CB-CG 4.47Å; K131-F148 HydrophobicContact CB-CZ 3.92Å; K131-F148 HydrophobicContact CD-CD1 3.88Å; K131-F148 HydrophobicContact CD-CE1 4.19Å; K131-F148 HydrophobicContact CG-CD1 3.61Å; K131-F148 HydrophobicContact CG-CE1 3.86Å; K131-F148 HydrophobicContact CG-CG 4.18Å; R134-F148 HydrophobicContact CB-CD2 4.15Å; R134-F148 HydrophobicContact CB-CE2 4.2Å; R134-F148 HydrophobicContact CG-CD2 3.98Å; R134-F148 HydrophobicContact CG-CE2 4.42Å; N146-F148 VanDerWaalsContact C-N 3.29Å; N146-F148 PolarHBondContact O-N 3.01Å; F148-V152 HydrophobicContact CD2-CB 4.02Å; F148-V152 HydrophobicContact CD2-CG1 3.83Å; F148-V152 HydrophobicContact CE2-CG1 3.91Å; F148-V152 PolarHBondContact O-N 3.35Å; F148-W153 HydrophobicContact CD1-CB 4.4Å; F148-W153 HydrophobicContact CE1-CB 4Å; F148-W153 HydrophobicContact CE1-CE3 4.24Å; F148-W153 HydrophobicContact CE1-CG 4.45Å; F148-W153 HydrophobicContact CZ-CB 4.29Å; F148-W153 HydrophobicContact CZ-CD2 4.45Å; F148-W153 AromaticContact CZ-CE3 3.75Å; F148-W153 HydrophobicContact CZ-CE3 3.75Å; F148-W153 HydrophobicContact CZ-CZ3 4.47Å; F148-W153 PolarHBondContact O-N 3.34Å
149D98.3Very high96.8Very high53 Ų5352.9 Ų52.928%0.28331%0.31SS..Iπ-helixtrans-75.1-37.1-175.2-55.7-25.3000111.6Y127 K131 N146 P154Y127-D149 PolarHBondContact OH-OD1 3.36Å; K131-D149 WeakPolarHBondContact CE-OD1 3.48Å; K131-D149 IonicContact NZ-OD1 2.9Å; K131-D149 PolarHBondContact NZ-OD1 3.49Å; K131-D149 IonicContact NZ-OD2 3.2Å; K131-D149 PolarHBondContact NZ-OD2 3.19Å; N146-D149 PolarHBondContact O-N 3.43Å; D149-P154 WeakPolarHBondContact O-CD 3.44Å; D149-P154 WeakPolarHBondContact O-CG 3.25Å
150G97.9Very high97Very high27 Ų2753.9 Ų53.928%0.27831%0.313SS..Iπ-helixtrans-85.7-18.7-174.800000114.7N146N146-G150 WeakPolarHBondContact O-CA 3.49Å; N146-G150 PolarHBondContact O-N 2.95Å
151Y98.2Very high97.3Very high6 Ų654.3 Ų54.32%0.02430%0.298CS..Iπ-helixtrans-139.1-61.3-176.3-178.9-102.5000113.6F52 K53 Q54 Y55 D56 Y147 W153 P154 M155F52-Y151 HydrophobicContact CB-CD2 4.42Å; F52-Y151 HydrophobicContact CB-CG 4.21Å; K53-Y151 WeakPolarHBondContact O-CE1 3.49Å; Q54-Y151 VanDerWaalsContact CA-CZ 3.48Å; Q54-Y151 WeakPolarHBondContact CA-OH 3.39Å; Q54-Y151 HydrophobicContact CB-CE2 4.49Å; Q54-Y151 PolarHBondContact O-OH 2.95Å; Q54-Y151 VanDerWaalsContact OE1-CE2 3.23Å; Y55-Y151 PolarHBondContact N-OH 2.87Å; D56-Y151 HydrophobicContact CB-CE1 3.77Å; D56-Y151 PolarHBondContact N-OH 3.23Å; D56-Y151 WeakPolarHBondContact OD2-CE1 3.18Å; Y147-Y151 HydrophobicContact CD2-CD1 4.21Å; Y147-Y151 HydrophobicContact CD2-CG 4.39Å; Y147-Y151 HydrophobicContact CE1-CD1 4.24Å; Y147-Y151 AromaticContact CE2-CD1 3.42Å; Y147-Y151 HydrophobicContact CE2-CD1 3.42Å; Y147-Y151 VanDerWaalsContact CE2-CD1 3.42Å; Y147-Y151 HydrophobicContact CE2-CE1 4.21Å; Y147-Y151 AromaticContact CE2-CG 3.88Å; Y147-Y151 HydrophobicContact CE2-CG 3.88Å; Y147-Y151 AromaticContact CZ-CD1 3.43Å; Y147-Y151 VanDerWaalsContact CZ-CD1 3.43Å; Y147-Y151 AromaticContact CZ-CE1 3.96Å; Y147-Y151 WeakPolarHBondContact O-CA 3.22Å; Y147-Y151 WeakPolarHBondContact O-CB 3.43Å; Y147-Y151 PolarHBondContact O-N 3.43Å; Y147-Y151 WeakPolarHBondContact OH-CD1 3.28Å; Y147-Y151 WeakPolarHBondContact OH-CE1 3.3Å; Y151-W153 PolarHBondContact O-N 3.27Å; Y151-P154 WeakPolarHBondContact O-CD 3.37Å; Y151-M155 HydrophobicContact CD1-CG 4.48Å; Y151-M155 HydrophobicContact CD2-CG 3.89Å; Y151-M155 HydrophobicContact CE1-CG 4.12Å; Y151-M155 HydrophobicContact CE2-CG 3.42Å; Y151-M155 VanDerWaalsContact CE2-CG 3.42Å; Y151-M155 HydrophobicContact CE2-SD 4.06Å; Y151-M155 HydrophobicContact CG-CG 4.37Å; Y151-M155 WeakPolarHBondContact O-CB 3.44Å; Y151-M155 VanDerWaalsContact O-CG 3.29Å; Y151-M155 WeakPolarHBondContact O-CG 3.33Å; Y151-M155 PolarHBondContact O-N 3Å
152V98.4Very high97.6Very high1 Ų155 Ų551%0.00630%0.296CS..Iπ-helixtrans-58-51.2-170.6173.70000112.5T12 Y147 F148 M155 Y156T12-V152 HydrophobicContact CG2-CG1 3.93Å; Y147-V152 HydrophobicContact CD1-CG2 3.59Å; Y147-V152 HydrophobicContact CE1-CG2 3.59Å; Y147-V152 HydrophobicContact CG-CG2 4.36Å; Y147-V152 PolarHBondContact O-N 3Å; F148-V152 HydrophobicContact CD2-CB 4.02Å; F148-V152 HydrophobicContact CD2-CG1 3.83Å; F148-V152 HydrophobicContact CE2-CG1 3.91Å; F148-V152 PolarHBondContact O-N 3.35Å; V152-M155 PolarHBondContact O-N 2.98Å; V152-Y156 WeakPolarHBondContact O-CB 3.35Å; V152-Y156 PolarHBondContact O-N 3.44Å
153W98.6Very high97.7Very high43 Ų4350.6 Ų50.616%0.16327%0.267CS..Hα-helixtrans-70.6-45.7-176.8-171-102.6000112.7V11 Y127 C130 F148 Y151 M155 Y156 L157V11-W153 HydrophobicContact CG2-CZ3 3.99Å; Y127-W153 HydrophobicContact CD2-CB 4.25Å; Y127-W153 AromaticContact CD2-CD1 3.61Å; Y127-W153 AromaticContact CD2-CD2 3.52Å; Y127-W153 HydrophobicContact CD2-CD2 3.52Å; Y127-W153 AromaticContact CD2-CE2 3.6Å; Y127-W153 HydrophobicContact CD2-CE3 4.1Å; Y127-W153 AromaticContact CD2-CG 3.54Å; Y127-W153 HydrophobicContact CD2-CG 3.54Å; Y127-W153 HydrophobicContact CD2-CZ2 4.26Å; Y127-W153 AromaticContact CD2-NE1 3.63Å; Y127-W153 HydrophobicContact CE2-CB 4.21Å; Y127-W153 AromaticContact CE2-CD1 3.99Å; Y127-W153 HydrophobicContact CE2-CD2 4.35Å; Y127-W153 AromaticContact CE2-CG 3.92Å; Y127-W153 HydrophobicContact CE2-CG 3.92Å; Y127-W153 HydrophobicContact CG-CD2 4.42Å; Y127-W153 HydrophobicContact CG-CZ2 4.43Å; C130-W153 HydrophobicContact CB-CZ3 3.94Å; F148-W153 HydrophobicContact CD1-CB 4.4Å; F148-W153 HydrophobicContact CE1-CB 4Å; F148-W153 HydrophobicContact CE1-CE3 4.24Å; F148-W153 HydrophobicContact CE1-CG 4.45Å; F148-W153 HydrophobicContact CZ-CB 4.29Å; F148-W153 HydrophobicContact CZ-CD2 4.45Å; F148-W153 AromaticContact CZ-CE3 3.75Å; F148-W153 HydrophobicContact CZ-CE3 3.75Å; F148-W153 HydrophobicContact CZ-CZ3 4.47Å; F148-W153 PolarHBondContact O-N 3.34Å; Y151-W153 PolarHBondContact O-N 3.27Å; W153-M155 VanDerWaalsContact C-N 3.28Å; W153-M155 PolarHBondContact O-N 3.42Å; W153-Y156 HydrophobicContact CD2-CD1 4.07Å; W153-Y156 AromaticContact CE3-CD1 3.78Å; W153-Y156 HydrophobicContact CE3-CD1 3.78Å; W153-Y156 HydrophobicContact CE3-CE1 4.43Å; W153-Y156 HydrophobicContact CE3-CG 4.48Å; W153-Y156 AromaticContact CH2-CD1 3.8Å; W153-Y156 HydrophobicContact CH2-CD1 3.8Å; W153-Y156 AromaticContact CH2-CE1 3.62Å; W153-Y156 HydrophobicContact CH2-CE1 3.62Å; W153-Y156 HydrophobicContact CZ2-CD1 4.08Å; W153-Y156 HydrophobicContact CZ2-CE1 4.01Å; W153-Y156 AromaticContact CZ3-CD1 3.66Å; W153-Y156 HydrophobicContact CZ3-CD1 3.66Å; W153-Y156 AromaticContact CZ3-CE1 3.86Å; W153-Y156 HydrophobicContact CZ3-CE1 3.86Å; W153-Y156 WeakPolarHBondContact O-CB 3.48Å; W153-Y156 PolarHBondContact O-N 3.4Å; W153-L157 HydrophobicContact CZ2-CD2 4.32Å; W153-L157 WeakPolarHBondContact O-CG 3.49Å; W153-L157 PolarHBondContact O-N 2.83Å
154P98.4Very high97.8Very high57 Ų5752.6 Ų52.637%0.3728%0.275SS..Hα-helixtrans-51.8-45.5169.3-28.634.8000113.3D149 Y151 L157 Q158D149-P154 WeakPolarHBondContact O-CD 3.44Å; D149-P154 WeakPolarHBondContact O-CG 3.25Å; Y151-P154 WeakPolarHBondContact O-CD 3.37Å; P154-L157 PolarHBondContact O-N 3.43Å; P154-Q158 PolarHBondContact O-N 3.27Å
155M98.4Very high97.8Very high22 Ų2257.1 Ų57.111%0.10829%0.285CS..Hα-helixtrans-65.3-41.2177.4-73.6-54-56.600112.2D56 T57 Y151 V152 W153 L157 Q158 N159D56-M155 HydrophobicContact CB-CB 3.75Å; D56-M155 HydrophobicContact CB-CG 4.2Å; D56-M155 WeakPolarHBondContact O-CE 3.34Å; T57-M155 HydrophobicContact CG2-CE 3.71Å; Y151-M155 HydrophobicContact CD1-CG 4.48Å; Y151-M155 HydrophobicContact CD2-CG 3.89Å; Y151-M155 HydrophobicContact CE1-CG 4.12Å; Y151-M155 HydrophobicContact CE2-CG 3.42Å; Y151-M155 VanDerWaalsContact CE2-CG 3.42Å; Y151-M155 HydrophobicContact CE2-SD 4.06Å; Y151-M155 HydrophobicContact CG-CG 4.37Å; Y151-M155 WeakPolarHBondContact O-CB 3.44Å; Y151-M155 VanDerWaalsContact O-CG 3.29Å; Y151-M155 WeakPolarHBondContact O-CG 3.33Å; Y151-M155 PolarHBondContact O-N 3Å; V152-M155 PolarHBondContact O-N 2.98Å; W153-M155 VanDerWaalsContact C-N 3.28Å; W153-M155 PolarHBondContact O-N 3.42Å; M155-L157 VanDerWaalsContact C-N 3.32Å; M155-L157 PolarHBondContact O-N 3.34Å; M155-Q158 PolarHBondContact O-N 2.9Å; M155-N159 VanDerWaalsContact O-CB 3.22Å; M155-N159 WeakPolarHBondContact O-CB 3.26Å; M155-N159 PolarHBondContact O-N 3.37Å; M155-N159 PolarHBondContact O-ND2 2.81Å
156Y98.6Very high97.8Very high24 Ų2454.6 Ų54.69%0.09426%0.264CS..Hα-helixtrans-56.8-45.5173.2163.8-106.5000111.8V11 F122 V152 W153 N159 R160V11-Y156 HydrophobicContact CB-CD2 4.03Å; V11-Y156 HydrophobicContact CB-CE2 3.66Å; V11-Y156 HydrophobicContact CG2-CD1 4.23Å; V11-Y156 HydrophobicContact CG2-CD2 3.77Å; V11-Y156 HydrophobicContact CG2-CE1 4.27Å; V11-Y156 HydrophobicContact CG2-CE2 3.81Å; V11-Y156 HydrophobicContact CG2-CG 3.99Å; F122-Y156 HydrophobicContact CE1-CE2 4.14Å; F122-Y156 AromaticContact CZ-CE2 3.98Å; F122-Y156 HydrophobicContact CZ-CE2 3.98Å; V152-Y156 WeakPolarHBondContact O-CB 3.35Å; V152-Y156 PolarHBondContact O-N 3.44Å; W153-Y156 HydrophobicContact CD2-CD1 4.07Å; W153-Y156 AromaticContact CE3-CD1 3.78Å; W153-Y156 HydrophobicContact CE3-CD1 3.78Å; W153-Y156 HydrophobicContact CE3-CE1 4.43Å; W153-Y156 HydrophobicContact CE3-CG 4.48Å; W153-Y156 AromaticContact CH2-CD1 3.8Å; W153-Y156 HydrophobicContact CH2-CD1 3.8Å; W153-Y156 AromaticContact CH2-CE1 3.62Å; W153-Y156 HydrophobicContact CH2-CE1 3.62Å; W153-Y156 HydrophobicContact CZ2-CD1 4.08Å; W153-Y156 HydrophobicContact CZ2-CE1 4.01Å; W153-Y156 AromaticContact CZ3-CD1 3.66Å; W153-Y156 HydrophobicContact CZ3-CD1 3.66Å; W153-Y156 AromaticContact CZ3-CE1 3.86Å; W153-Y156 HydrophobicContact CZ3-CE1 3.86Å; W153-Y156 WeakPolarHBondContact O-CB 3.48Å; W153-Y156 PolarHBondContact O-N 3.4Å; Y156-N159 PolarHBondContact O-N 2.86Å; Y156-R160 VanDerWaalsContact O-CB 3.23Å; Y156-R160 WeakPolarHBondContact O-CB 3.29Å; Y156-R160 PolarHBondContact O-N 2.78Å; Y156-R160 PolarHBondContact OH-NH1 2.69Å
157L98.6Very high97.6Very high86 Ų8650.6 Ų50.645%0.4524%0.243SC..Hα-helixtrans-63.5-45.8178.7-65.4177.5000111.8W153 P154 M155 R160 E161W153-L157 HydrophobicContact CZ2-CD2 4.32Å; W153-L157 WeakPolarHBondContact O-CG 3.49Å; W153-L157 PolarHBondContact O-N 2.83Å; P154-L157 PolarHBondContact O-N 3.43Å; M155-L157 VanDerWaalsContact C-N 3.32Å; M155-L157 PolarHBondContact O-N 3.34Å; L157-R160 PolarHBondContact O-N 3.15Å; L157-E161 PolarHBondContact O-N 2.74Å
158Q98.4Very high97.3Very high117 Ų11754.2 Ų54.255%0.54727%0.269SS..Hα-helixtrans-61.7-45.7177-179.5179.2-16.900111.7P154 M155 R160 E161 E162P154-Q158 PolarHBondContact O-N 3.27Å; M155-Q158 PolarHBondContact O-N 2.9Å; Q158-R160 VanDerWaalsContact C-N 3.34Å; Q158-E161 PolarHBondContact O-N 3.46Å; Q158-E162 PolarHBondContact O-N 3.28Å
159N98.3Very high97.2Very high23 Ų2361.1 Ų61.112%0.12330%0.302CS..Hα-helixtrans-66.6-37.1178.6-71.6-42.9000111.4D56 L106 N109 M155 Y156 E162 M163D56-N159 PolarHBondContact O-ND2 2.89Å; L106-N159 HydrophobicContact CD2-CB 3.77Å; L106-N159 VanDerWaalsContact CD2-ND2 3.28Å; L106-N159 WeakPolarHBondContact CD2-ND2 3.22Å; N109-N159 PolarHBondContact ND2-O 3.17Å; M155-N159 VanDerWaalsContact O-CB 3.22Å; M155-N159 WeakPolarHBondContact O-CB 3.26Å; M155-N159 PolarHBondContact O-N 3.37Å; M155-N159 PolarHBondContact O-ND2 2.81Å; Y156-N159 PolarHBondContact O-N 2.86Å; N159-E162 PolarHBondContact O-N 2.86Å; N159-M163 VanDerWaalsContact O-CB 3.22Å; N159-M163 WeakPolarHBondContact O-CB 3.43Å; N159-M163 PolarHBondContact O-N 2.88Å
160R97.7Very high97.2Very high72 Ų7259.7 Ų59.727%0.27229%0.294SS..Hα-helixtrans-62.2-48.2174.5178-177.2178.914411.5111.2E124 Y156 L157 Q158 E162 M163 E164E124-R160 IonicContact OE1-CZ 2.79Å; E124-R160 IonicContact OE1-NE 3.81Å; E124-R160 IonicContact OE1-NH1 2.81Å; E124-R160 PolarHBondContact OE1-NH1 3Å; E124-R160 IonicContact OE1-NH2 2.87Å; E124-R160 PolarHBondContact OE1-NH2 2.62Å; E124-R160 IonicContact OE2-NH1 3.51Å; E124-R160 IonicContact OE2-NH2 3.2Å; Y156-R160 VanDerWaalsContact O-CB 3.23Å; Y156-R160 WeakPolarHBondContact O-CB 3.29Å; Y156-R160 PolarHBondContact O-N 2.78Å; Y156-R160 PolarHBondContact OH-NH1 2.69Å; L157-R160 PolarHBondContact O-N 3.15Å; Q158-R160 VanDerWaalsContact C-N 3.34Å; R160-E162 VanDerWaalsContact C-N 3.32Å; R160-E162 PolarHBondContact O-N 3.39Å; R160-M163 HydrophobicContact CG-CE 4.37Å; R160-M163 WeakPolarHBondContact O-CB 3.35Å; R160-M163 PolarHBondContact O-N 3.35Å; R160-E164 HydrophobicContact CG-CG 4.47Å; R160-E164 WeakPolarHBondContact CG-OE1 3.35Å; R160-E164 IonicContact CZ-OE1 2.65Å; R160-E164 IonicContact NE-OE1 3.73Å; R160-E164 PolarHBondContact NE-OE1 3Å; R160-E164 IonicContact NH2-OE1 3.52Å; R160-E164 PolarHBondContact NH2-OE1 2.87Å; R160-E164 WeakPolarHBondContact O-CG 3.5Å; R160-E164 PolarHBondContact O-N 3.45Å
161E98.1Very high97.2Very high113 Ų11361.5 Ų61.553%0.52830%0.3SS..Hα-helixtrans-59.8-45179.4-165.6-167.4159.600111L157 Q158 E164 R165L157-E161 PolarHBondContact O-N 2.74Å; Q158-E161 PolarHBondContact O-N 3.46Å; E161-E164 PolarHBondContact O-N 3.39Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 2.95Å; E161-R165 VanDerWaalsContact O-N 3.15Å; E161-R165 IonicContact OE1-NH1 3.19Å; E161-R165 PolarHBondContact OE1-NH1 3.08Å; E161-R165 IonicContact OE2-NH1 3.34Å
162E97.7Very high97.2Very high70 Ų7065.4 Ų65.433%0.32732%0.317SS..Hα-helixtrans-64.1-43.8175.8177.561.1-177.100112.5Q158 N159 R160 E164 R165 I166Q158-E162 PolarHBondContact O-N 3.28Å; N159-E162 PolarHBondContact O-N 2.86Å; R160-E162 VanDerWaalsContact C-N 3.32Å; R160-E162 PolarHBondContact O-N 3.39Å; E162-E164 VanDerWaalsContact C-N 3.34Å; E162-E164 PolarHBondContact O-N 3.37Å; E162-R165 WeakPolarHBondContact O-CB 3.49Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-R165 VanDerWaalsContact O-N 3.13Å; E162-R165 IonicContact OE2-CZ 2.84Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 PolarHBondContact OE2-NE 3.17Å; E162-R165 IonicContact OE2-NH2 2.87Å; E162-R165 PolarHBondContact OE2-NH2 2.97Å; E162-I166 HydrophobicContact CG-CD1 4.38Å; E162-I166 WeakPolarHBondContact O-CG1 3.4Å; E162-I166 PolarHBondContact O-N 2.87Å; E162-I166 VanDerWaalsContact O-N 3.1Å; E162-I166 WeakPolarHBondContact OE1-CG2 3.26Å
163M97.5Very high97.2Very high1 Ų166.4 Ų66.41%0.00532%0.322CS..Hα-helixtrans-56.9-48.4177.9174.1-166.474.500111.2F108 F122 N159 R160 R165 I166 T167 I170 F172F108-M163 HydrophobicContact CB-CG 3.63Å; F108-M163 HydrophobicContact CB-SD 3.89Å; F108-M163 HydrophobicContact CD2-SD 3.78Å; F108-M163 HydrophobicContact CG-SD 4.34Å; F122-M163 HydrophobicContact CD2-CE 4Å; F122-M163 HydrophobicContact CD2-SD 3.53Å; F122-M163 VanDerWaalsContact CD2-SD 3.53Å; F122-M163 HydrophobicContact CE1-CE 4.43Å; F122-M163 HydrophobicContact CE2-CE 3.86Å; F122-M163 HydrophobicContact CE2-SD 3.34Å; F122-M163 WeakPolarHBondContact CE2-SD 3.37Å; F122-M163 HydrophobicContact CG-CE 4.34Å; F122-M163 HydrophobicContact CG-SD 4.39Å; F122-M163 HydrophobicContact CZ-CE 4.07Å; F122-M163 HydrophobicContact CZ-SD 4.1Å; N159-M163 VanDerWaalsContact O-CB 3.22Å; N159-M163 WeakPolarHBondContact O-CB 3.43Å; N159-M163 PolarHBondContact O-N 2.88Å; R160-M163 HydrophobicContact CG-CE 4.37Å; R160-M163 WeakPolarHBondContact O-CB 3.35Å; R160-M163 PolarHBondContact O-N 3.35Å; M163-R165 PolarHBondContact O-N 3.22Å; M163-I166 PolarHBondContact O-N 3.05Å; M163-T167 WeakPolarHBondContact O-CA 3.39Å; M163-T167 WeakPolarHBondContact O-CB 3.33Å; M163-T167 PolarHBondContact O-N 3.02Å; M163-T167 PolarHBondContact O-OG1 2.8Å; M163-I170 HydrophobicContact CE-CD1 3.93Å; M163-I170 HydrophobicContact CG-CD1 3.82Å; M163-I170 HydrophobicContact SD-CD1 3.75Å; M163-F172 HydrophobicContact CE-CE1 4.04Å; M163-F172 HydrophobicContact CE-CZ 4.18Å
164E96.2Very high97.1Very high94 Ų9467.9 Ų67.944%0.43933%0.333SS..Hα-helixtrans-66.3-25.7179.8-71176.5-173.800112.3R160 E161 E162 F172R160-E164 HydrophobicContact CG-CG 4.47Å; R160-E164 WeakPolarHBondContact CG-OE1 3.35Å; R160-E164 IonicContact CZ-OE1 2.65Å; R160-E164 IonicContact NE-OE1 3.73Å; R160-E164 PolarHBondContact NE-OE1 3Å; R160-E164 IonicContact NH2-OE1 3.52Å; R160-E164 PolarHBondContact NH2-OE1 2.87Å; R160-E164 WeakPolarHBondContact O-CG 3.5Å; R160-E164 PolarHBondContact O-N 3.45Å; E161-E164 PolarHBondContact O-N 3.39Å; E162-E164 VanDerWaalsContact C-N 3.34Å; E162-E164 PolarHBondContact O-N 3.37Å; E164-F172 HydrophobicContact CG-CZ 4.31Å
165R96.2Very high97Very high149 Ų14965.7 Ų65.756%0.56232%0.321SS*.Hα-helixtrans-72.8-39.6172.6-75-170-64.1-111.74.6113.3E161 E162 M163E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 2.95Å; E161-R165 VanDerWaalsContact O-N 3.15Å; E161-R165 IonicContact OE1-NH1 3.19Å; E161-R165 PolarHBondContact OE1-NH1 3.08Å; E161-R165 IonicContact OE2-NH1 3.34Å; E162-R165 WeakPolarHBondContact O-CB 3.49Å; E162-R165 PolarHBondContact O-N 3.11Å; E162-R165 VanDerWaalsContact O-N 3.13Å; E162-R165 IonicContact OE2-CZ 2.84Å; E162-R165 IonicContact OE2-NE 2.77Å; E162-R165 PolarHBondContact OE2-NE 3.17Å; E162-R165 IonicContact OE2-NH2 2.87Å; E162-R165 PolarHBondContact OE2-NH2 2.97Å; M163-R165 PolarHBondContact O-N 3.22Å
166I94.4Very high96.8Very high68 Ų6868.9 Ų68.935%0.34934%0.338SS..Hα-helixtrans-103.5-8.7-169.873.5179000114E162 M163E162-I166 HydrophobicContact CG-CD1 4.38Å; E162-I166 WeakPolarHBondContact O-CG1 3.4Å; E162-I166 PolarHBondContact O-N 2.87Å; E162-I166 VanDerWaalsContact O-N 3.1Å; E162-I166 WeakPolarHBondContact OE1-CG2 3.26Å; M163-I166 PolarHBondContact O-N 3.05Å
167T93.3Very high96.8Very high14 Ų1472.3 Ų72.39%0.08635%0.354CS..  trans-129.2137.4-175.3-47.50000110.6F108 N114 R120 M163 I170F108-T167 PolarHBondContact O-OG1 3.15Å; N114-T167 WeakPolarHBondContact ND2-CB 3.2Å; N114-T167 VanDerWaalsContact ND2-CG2 3.29Å; N114-T167 WeakPolarHBondContact ND2-CG2 3.5Å; N114-T167 PolarHBondContact ND2-OG1 3.47Å; N114-T167 VanDerWaalsContact OD1-CG2 3.31Å; N114-T167 WeakPolarHBondContact OD1-CG2 3.35Å; R120-T167 VanDerWaalsContact CD-CG2 3.5Å; M163-T167 WeakPolarHBondContact O-CA 3.39Å; M163-T167 WeakPolarHBondContact O-CB 3.33Å; M163-T167 PolarHBondContact O-N 3.02Å; M163-T167 PolarHBondContact O-OG1 2.8Å; T167-I170 HydrophobicContact CG2-CD1 3.67Å; T167-I170 HydrophobicContact CG2-CG1 3.76Å
168S92.3Very high96.7Very high82 Ų8272.3 Ų72.357%0.57336%0.359SS*.  trans-120.8174.8172.957.90000110.3I170S168-I170 VanDerWaalsContact C-N 3.26Å; S168-I170 PolarHBondContact O-N 2.88Å
169E95.3Very high96.6Very high162 Ų16272.9 Ų72.976%0.75736%0.36SS*.  trans60.533.8175.9-52.7179.1137.900113.6
170I97.9Very high96.5Very high23 Ų2377.7 Ų77.712%0.11839%0.385CS..EExtended strand (participates in β ladder)trans-85.9125.6171.6-57.5179.8000109.2F108 R120 F122 M163 T167 S168 F172F108-I170 HydrophobicContact CD2-CD1 4.14Å; R120-I170 HydrophobicContact CB-CG1 4.13Å; F122-I170 HydrophobicContact CB-CG2 3.47Å; F122-I170 VanDerWaalsContact CB-CG2 3.47Å; F122-I170 HydrophobicContact CG-CG2 4.48Å; M163-I170 HydrophobicContact CE-CD1 3.93Å; M163-I170 HydrophobicContact CG-CD1 3.82Å; M163-I170 HydrophobicContact SD-CD1 3.75Å; T167-I170 HydrophobicContact CG2-CD1 3.67Å; T167-I170 HydrophobicContact CG2-CG1 3.76Å; S168-I170 VanDerWaalsContact C-N 3.26Å; S168-I170 PolarHBondContact O-N 2.88Å; I170-F172 HydrophobicContact CB-CE2 4.05Å; I170-F172 HydrophobicContact CB-CZ 4.26Å; I170-F172 HydrophobicContact CG2-CD1 4.44Å; I170-F172 HydrophobicContact CG2-CD2 4.31Å; I170-F172 HydrophobicContact CG2-CE1 4.24Å; I170-F172 HydrophobicContact CG2-CE2 4.09Å; I170-F172 HydrophobicContact CG2-CG 4.49Å; I170-F172 HydrophobicContact CG2-CZ 4.06Å; I170-F172 PolarHBondContact O-N 2.94Å
171V98.4Very high96.5Very high65 Ų6578.8 Ų78.839%0.39439%0.393SS..EExtended strand (participates in β ladder)trans-84.9108.3168-178.90000108.8R120 Y121 F122 L173R120-V171 PolarHBondContact O-N 3.11Å; Y121-V171 CarbonylContact C-O 3.58Å; Y121-V171 WeakPolarHBondContact CA-O 3.41Å; Y121-V171 HydrophobicContact CD1-CB 3.79Å; Y121-V171 HydrophobicContact CD1-CG1 4.06Å; Y121-V171 HydrophobicContact CD1-CG2 4.42Å; Y121-V171 HydrophobicContact CE1-CB 4.13Å; Y121-V171 HydrophobicContact CE1-CG1 4.31Å; Y121-V171 HydrophobicContact CE1-CG2 4.31Å; F122-V171 PolarHBondContact N-O 3.27Å; V171-L173 HydrophobicContact CG1-CD2 4.03Å
172F98.3Very high96.5Very high88 Ų8874.1 Ų74.139%0.38637%0.373SS..EExtended strand (participates in β ladder)trans-79.2130.9176-67.8-85.9000111F122 E124 M163 E164 I170F122-F172 HydrophobicContact CB-CD1 4.03Å; F122-F172 HydrophobicContact CB-CE1 4.24Å; F122-F172 AromaticContact CD1-CD1 3.93Å; F122-F172 HydrophobicContact CD1-CD1 3.93Å; F122-F172 AromaticContact CD1-CE1 3.96Å; F122-F172 HydrophobicContact CD1-CE1 3.96Å; F122-F172 HydrophobicContact CG-CD1 4.32Å; F122-F172 HydrophobicContact CG-CE1 4.24Å; E124-F172 VanDerWaalsContact CD-CD1 3.49Å; E124-F172 HydrophobicContact CG-CD1 4.08Å; E124-F172 WeakPolarHBondContact OE1-CD1 3.48Å; M163-F172 HydrophobicContact CE-CE1 4.04Å; M163-F172 HydrophobicContact CE-CZ 4.18Å; E164-F172 HydrophobicContact CG-CZ 4.31Å; I170-F172 HydrophobicContact CB-CE2 4.05Å; I170-F172 HydrophobicContact CB-CZ 4.26Å; I170-F172 HydrophobicContact CG2-CD1 4.44Å; I170-F172 HydrophobicContact CG2-CD2 4.31Å; I170-F172 HydrophobicContact CG2-CE1 4.24Å; I170-F172 HydrophobicContact CG2-CE2 4.09Å; I170-F172 HydrophobicContact CG2-CG 4.49Å; I170-F172 HydrophobicContact CG2-CZ 4.06Å; I170-F172 PolarHBondContact O-N 2.94Å
173L98.4Very high96.5Very high21 Ų2171.3 Ų71.311%0.1136%0.36CS..EExtended strand (participates in β ladder)trans-116.4124.8-175.5-58.9176000109.9L19 Y121 F122 L123 E124 V171 G175 V182 V186L19-L173 HydrophobicContact CD2-CD1 3.96Å; Y121-L173 HydrophobicContact CD1-CD1 4.27Å; Y121-L173 HydrophobicContact CG-CD1 4.43Å; F122-L173 PolarHBondContact O-N 3.47Å; L123-L173 HydrophobicContact CD2-CB 3.81Å; L123-L173 HydrophobicContact CD2-CD1 4.22Å; L123-L173 HydrophobicContact CG-CB 4.32Å; L123-L173 HydrophobicContact CG-CD1 4.27Å; E124-L173 PolarHBondContact N-O 2.59Å; V171-L173 HydrophobicContact CG1-CD2 4.03Å; L173-G175 PolarHBondContact O-N 2.64Å; L173-V182 HydrophobicContact CB-CG1 4.36Å; L173-V182 HydrophobicContact CD1-CG1 4.19Å; L173-V186 HydrophobicContact CD1-CG2 3.47Å; L173-V186 VanDerWaalsContact CD1-CG2 3.47Å; L173-V186 HydrophobicContact CD2-CG2 3.93Å; L173-V186 HydrophobicContact CG-CG2 4.36Å
174D97.6Very high96.5Very high74 Ų7473.2 Ų73.240%0.39638%0.375SS..EExtended strand (participates in β ladder)trans-74.7106.9173.5-179.82.1000110.6L176 K177D174-L176 PolarHBondContact O-N 2.92Å; D174-L176 VanDerWaalsContact OD1-CB 3.26Å; D174-L176 WeakPolarHBondContact OD1-CB 3.44Å; D174-L176 PolarHBondContact OD1-N 2.84Å; D174-K177 HydrophobicContact CB-CD 4.19Å; D174-K177 HydrophobicContact CB-CG 4.06Å; D174-K177 WeakPolarHBondContact O-CB 3.49Å; D174-K177 PolarHBondContact O-N 2.97Å
175G95.4Very high96.6Very high12 Ų1271.2 Ų71.212%0.12438%0.375CS..THydrogen-bonded Turntrans-75.96178.600000115E124 R133 L173E124-G175 WeakPolarHBondContact O-CA 3.3Å; E124-G175 PolarHBondContact O-N 2.82Å; R133-G175 PolarHBondContact NH2-O 2.99Å; L173-G175 PolarHBondContact O-N 2.64Å
176L95.1Very high96.7Very high88 Ų8864.2 Ų64.246%0.46135%0.349SS..THydrogen-bonded Turntrans-94.4-16.2167.9-56.6-173.7000113.3I125 P126 V129 D174I125-L176 HydrophobicContact CB-CD2 4.46Å; I125-L176 HydrophobicContact CG2-CD2 4Å; I125-L176 HydrophobicContact CG2-CG 4.49Å; P126-L176 HydrophobicContact CG-CD1 3.87Å; V129-L176 HydrophobicContact CB-CD2 4.29Å; V129-L176 HydrophobicContact CG1-CD2 3.88Å; V129-L176 HydrophobicContact CG2-CD2 3.98Å; D174-L176 PolarHBondContact O-N 2.92Å; D174-L176 VanDerWaalsContact OD1-CB 3.26Å; D174-L176 WeakPolarHBondContact OD1-CB 3.44Å; D174-L176 PolarHBondContact OD1-N 2.84Å
177K97.1Very high96.9Very high97 Ų9764.1 Ų64.142%0.42235%0.345SS..SBendtrans-61.9156.6174.5-77-177.2164.9-150.40111.7D174 K179 E181 V182D174-K177 HydrophobicContact CB-CD 4.19Å; D174-K177 HydrophobicContact CB-CG 4.06Å; D174-K177 WeakPolarHBondContact O-CB 3.49Å; D174-K177 PolarHBondContact O-N 2.97Å; K177-K179 PolarHBondContact O-N 3.36Å; K177-E181 WeakPolarHBondContact CD-OE1 3.3Å; K177-E181 WeakPolarHBondContact CE-OE1 3.3Å; K177-E181 IonicContact NZ-OE1 2.8Å; K177-E181 PolarHBondContact NZ-OE1 3.06Å; K177-V182 HydrophobicContact CB-CG2 3.63Å
178P97.3Very high97.2Very high86 Ų8668.6 Ų68.656%0.55837%0.365SS*.  trans-50130.6172.1-26.235000110.9D180 E181 V182P178-D180 VanDerWaalsContact C-N 3.27Å; P178-D180 PolarHBondContact O-N 3.13Å; P178-E181 HydrophobicContact CB-CB 4.32Å; P178-E181 WeakPolarHBondContact O-CB 3.32Å; P178-E181 PolarHBondContact O-N 3.12Å; P178-V182 PolarHBondContact O-N 3.29Å
179K95.6Very high97.4Very high129 Ų12967.6 Ų67.656%0.56135%0.353SS*.Hα-helixtrans-48.4-49.7-175.7176.3-176.7169.2-177.20112K177 E181 V182 L183K177-K179 PolarHBondContact O-N 3.36Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.35Å; K179-V182 PolarHBondContact O-N 3.46Å; K179-L183 HydrophobicContact CD-CD1 4.35Å; K179-L183 HydrophobicContact CG-CD1 3.8Å; K179-L183 HydrophobicContact CG-CG 4.18Å; K179-L183 VanDerWaalsContact O-CG 3.26Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 3.32Å
180D96.8Very high97.6Very high124 Ų12459.9 Ų59.966%0.66332%0.317SS*.Hα-helixtrans-66-29.8-175.2-61.3-23.9000112.6P178 A184P178-D180 VanDerWaalsContact C-N 3.27Å; P178-D180 PolarHBondContact O-N 3.13Å; D180-A184 WeakPolarHBondContact O-CB 3.29Å; D180-A184 PolarHBondContact O-N 3.15Å
181E97.6Very high97.5Very high94 Ų9463 Ų6344%0.43933%0.331SS..Hα-helixtrans-66-48.4174.9-173.6-171146.800110.7K177 P178 K179 A184 A185K177-E181 WeakPolarHBondContact CD-OE1 3.3Å; K177-E181 WeakPolarHBondContact CE-OE1 3.3Å; K177-E181 IonicContact NZ-OE1 2.8Å; K177-E181 PolarHBondContact NZ-OE1 3.06Å; P178-E181 HydrophobicContact CB-CB 4.32Å; P178-E181 WeakPolarHBondContact O-CB 3.32Å; P178-E181 PolarHBondContact O-N 3.12Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.35Å; E181-A184 PolarHBondContact O-N 3.03Å; E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.93Å
182V97.9Very high97.4Very high16 Ų1666.4 Ų66.410%0.09734%0.34CS..Hα-helixtrans-64.6-44.4179.6-177.60000110.7L123 L173 K177 P178 K179 V186L123-V182 HydrophobicContact CD2-CG1 4.19Å; L173-V182 HydrophobicContact CB-CG1 4.36Å; L173-V182 HydrophobicContact CD1-CG1 4.19Å; K177-V182 HydrophobicContact CB-CG2 3.63Å; P178-V182 PolarHBondContact O-N 3.29Å; K179-V182 PolarHBondContact O-N 3.46Å; V182-V186 WeakPolarHBondContact O-CG2 3.39Å; V182-V186 PolarHBondContact O-N 3.07Å
183L98.3Very high97.3Very high11 Ų1164.3 Ų64.36%0.05833%0.332CS..Hα-helixtrans-61.9-46.1178.6-68.5-176.4000111.9L19 F22 K179 Y187L19-L183 HydrophobicContact CB-CD2 4.07Å; L19-L183 HydrophobicContact CD1-CD2 3.59Å; L19-L183 HydrophobicContact CG-CD2 4.44Å; F22-L183 HydrophobicContact CB-CD1 4.22Å; F22-L183 HydrophobicContact CB-CD2 3.9Å; F22-L183 HydrophobicContact CD1-CB 3.83Å; F22-L183 HydrophobicContact CD1-CD1 4.35Å; F22-L183 HydrophobicContact CD1-CD2 3.9Å; F22-L183 HydrophobicContact CD1-CG 4.23Å; F22-L183 HydrophobicContact CD2-CB 4.5Å; F22-L183 HydrophobicContact CD2-CD1 3.87Å; F22-L183 HydrophobicContact CE1-CB 3.71Å; F22-L183 WeakPolarHBondContact CE1-O 3.11Å; F22-L183 HydrophobicContact CE2-CB 4.39Å; F22-L183 HydrophobicContact CE2-CD1 4.29Å; F22-L183 HydrophobicContact CG-CB 4.22Å; F22-L183 HydrophobicContact CG-CD1 3.88Å; F22-L183 HydrophobicContact CG-CD2 3.94Å; F22-L183 HydrophobicContact CG-CG 4.23Å; F22-L183 HydrophobicContact CZ-CB 4.01Å; K179-L183 HydrophobicContact CD-CD1 4.35Å; K179-L183 HydrophobicContact CG-CD1 3.8Å; K179-L183 HydrophobicContact CG-CG 4.18Å; K179-L183 VanDerWaalsContact O-CG 3.26Å; K179-L183 WeakPolarHBondContact O-CG 3.48Å; K179-L183 PolarHBondContact O-N 3.32Å; L183-Y187 WeakPolarHBondContact O-CB 3.34Å; L183-Y187 PolarHBondContact O-N 3.2Å; L183-Y187 VanDerWaalsContact O-N 3.12Å
184A97.8Very high97.1Very high40 Ų4064.3 Ų64.333%0.33133%0.332SS..Hα-helixtrans-64.3-46179.200000111.7D180 E181 V186 Y187 E188D180-A184 WeakPolarHBondContact O-CB 3.29Å; D180-A184 PolarHBondContact O-N 3.15Å; E181-A184 PolarHBondContact O-N 3.03Å; A184-V186 PolarHBondContact O-N 3.27Å; A184-Y187 PolarHBondContact O-N 2.98Å; A184-E188 WeakPolarHBondContact O-CB 3.47Å; A184-E188 WeakPolarHBondContact O-CG 3.45Å; A184-E188 PolarHBondContact O-N 3.36Å
185A98.1Very high96.9Very high53 Ų5361.7 Ų61.744%0.43832%0.32SS..Hα-helixtrans-59-46.1-178.800000112.5E181 E188 D189E181-A185 WeakPolarHBondContact O-CB 3.13Å; E181-A185 PolarHBondContact O-N 2.93Å; A185-E188 PolarHBondContact O-N 3.34Å; A185-D189 PolarHBondContact O-N 3.11Å; A185-D189 VanDerWaalsContact O-N 3.13Å
186V98.5Very high96.8Very high2 Ų267.6 Ų67.61%0.01234%0.339CS..Hα-helixtrans-67.4-40.8178.8178.20000111.3L19 L23 Y121 L173 V182 A184 D189 I190L19-V186 HydrophobicContact CD1-CB 3.93Å; L19-V186 HydrophobicContact CD1-CG1 3.97Å; L19-V186 HydrophobicContact CD1-CG2 4.19Å; L19-V186 HydrophobicContact CD2-CG1 4.31Å; L19-V186 HydrophobicContact CD2-CG2 4.12Å; L23-V186 HydrophobicContact CD1-CG1 4.01Å; L23-V186 HydrophobicContact CD2-CG1 4.24Å; Y121-V186 HydrophobicContact CD1-CG1 4.05Å; Y121-V186 HydrophobicContact CD1-CG2 4.06Å; Y121-V186 HydrophobicContact CD2-CG1 3.95Å; Y121-V186 HydrophobicContact CE1-CB 4.47Å; Y121-V186 HydrophobicContact CE1-CG1 3.92Å; Y121-V186 HydrophobicContact CE1-CG2 4.29Å; Y121-V186 HydrophobicContact CE2-CG1 3.81Å; Y121-V186 HydrophobicContact CG-CG1 4.06Å; L173-V186 HydrophobicContact CD1-CG2 3.47Å; L173-V186 VanDerWaalsContact CD1-CG2 3.47Å; L173-V186 HydrophobicContact CD2-CG2 3.93Å; L173-V186 HydrophobicContact CG-CG2 4.36Å; V182-V186 WeakPolarHBondContact O-CG2 3.39Å; V182-V186 PolarHBondContact O-N 3.07Å; A184-V186 PolarHBondContact O-N 3.27Å; V186-D189 PolarHBondContact O-N 3.02Å; V186-I190 HydrophobicContact CG1-CD1 3.84Å; V186-I190 WeakPolarHBondContact O-CG1 3.31Å; V186-I190 PolarHBondContact O-N 2.9Å; V186-I190 VanDerWaalsContact O-N 3.07Å
187Y98.5Very high96.6Very high65 Ų6565.6 Ų65.626%0.25533%0.328SS..Hα-helixtrans-64.3-43.1177.6175.1-105.2000112.4F22 L23 K26 I27 L183 A184 D189 I190 H191F22-Y187 HydrophobicContact CE1-CG 4.46Å; L23-Y187 HydrophobicContact CD2-CD2 4.3Å; K26-Y187 HydrophobicContact CB-CD2 3.88Å; K26-Y187 HydrophobicContact CB-CE2 3.52Å; K26-Y187 HydrophobicContact CG-CE2 4.48Å; I27-Y187 HydrophobicContact CG1-CD2 4.18Å; I27-Y187 HydrophobicContact CG1-CE2 3.89Å; L183-Y187 WeakPolarHBondContact O-CB 3.34Å; L183-Y187 PolarHBondContact O-N 3.2Å; L183-Y187 VanDerWaalsContact O-N 3.12Å; A184-Y187 PolarHBondContact O-N 2.98Å; Y187-D189 VanDerWaalsContact C-N 3.32Å; Y187-D189 PolarHBondContact O-N 2.76Å; Y187-I190 PolarHBondContact O-N 3.44Å; Y187-H191 VanDerWaalsContact O-CB 3.27Å; Y187-H191 WeakPolarHBondContact O-CB 3.47Å; Y187-H191 PolarHBondContact O-N 2.9Å
188E98.2Very high96.1Very high109 Ų10964.5 Ų64.551%0.50933%0.325SS..Hα-helixtrans-61.5-40176.6-76.4178.8-166.600112.2A184 A185 H191 K192A184-E188 WeakPolarHBondContact O-CB 3.47Å; A184-E188 WeakPolarHBondContact O-CG 3.45Å; A184-E188 PolarHBondContact O-N 3.36Å; A185-E188 PolarHBondContact O-N 3.34Å; E188-H191 PolarHBondContact O-N 3.04Å; E188-K192 VanDerWaalsContact O-CG 3.31Å; E188-K192 WeakPolarHBondContact O-CG 3.32Å; E188-K192 PolarHBondContact O-N 2.9Å
189D98.4Very high95.5Very high60 Ų6063.2 Ų63.232%0.32133%0.328SS..Hα-helixtrans-66.2-47.4178.5-163.243.2000111.7M119 Y121 A185 V186 Y187 H191 K192 E193M119-D189 HydrophobicContact CE-CB 4.47Å; M119-D189 WeakPolarHBondContact CE-OD2 3.44Å; Y121-D189 WeakPolarHBondContact OH-CB 3.41Å; Y121-D189 PolarHBondContact OH-OD2 2.79Å; A185-D189 PolarHBondContact O-N 3.11Å; A185-D189 VanDerWaalsContact O-N 3.13Å; V186-D189 PolarHBondContact O-N 3.02Å; Y187-D189 VanDerWaalsContact C-N 3.32Å; Y187-D189 PolarHBondContact O-N 2.76Å; D189-H191 VanDerWaalsContact C-N 3.31Å; D189-H191 PolarHBondContact O-N 3.41Å; D189-K192 PolarHBondContact O-N 3.41Å; D189-E193 PolarHBondContact O-N 2.69Å
190I97.9Very high94.4Very high0 Ų063.6 Ų63.60%033%0.331CS..Hα-helixtrans-61.5-41.1174.4-63.2165.9000110.9V6 L23 I27 M119 Y121 V186 Y187 K192 E193 I194V6-I190 HydrophobicContact CG1-CD1 4.01Å; V6-I190 HydrophobicContact CG2-CD1 4.16Å; V6-I190 HydrophobicContact CG2-CG1 4.3Å; V6-I190 HydrophobicContact CG2-CG2 4.5Å; L23-I190 HydrophobicContact CD1-CD1 3.66Å; L23-I190 HydrophobicContact CD2-CD1 3.71Å; L23-I190 HydrophobicContact CG-CD1 4.29Å; I27-I190 HydrophobicContact CD1-CD1 4.5Å; I27-I190 HydrophobicContact CD1-CG2 3.78Å; M119-I190 HydrophobicContact CE-CG1 4.47Å; M119-I190 HydrophobicContact SD-CB 4.32Å; M119-I190 HydrophobicContact SD-CG1 3.84Å; Y121-I190 HydrophobicContact CE2-CD1 3.94Å; Y121-I190 HydrophobicContact CE2-CG1 3.89Å; Y121-I190 WeakPolarHBondContact OH-CG1 3.49Å; V186-I190 HydrophobicContact CG1-CD1 3.84Å; V186-I190 WeakPolarHBondContact O-CG1 3.31Å; V186-I190 PolarHBondContact O-N 2.9Å; V186-I190 VanDerWaalsContact O-N 3.07Å; Y187-I190 PolarHBondContact O-N 3.44Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 2.96Å; I190-E193 PolarHBondContact O-N 2.87Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 HydrophobicContact CG2-CG1 4.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 2.84Å
191H96Very high92.3Very high90 Ų9065.2 Ų65.242%0.41735%0.352SS..Hα-helixtrans-64.4-37179.6-169.5-49.4000112Y187 E188 D189 E193 I194 A195Y187-H191 VanDerWaalsContact O-CB 3.27Å; Y187-H191 WeakPolarHBondContact O-CB 3.47Å; Y187-H191 PolarHBondContact O-N 2.9Å; E188-H191 PolarHBondContact O-N 3.04Å; D189-H191 VanDerWaalsContact C-N 3.31Å; D189-H191 PolarHBondContact O-N 3.41Å; H191-E193 VanDerWaalsContact C-N 3.3Å; H191-E193 PolarHBondContact O-N 2.68Å; H191-I194 PolarHBondContact O-N 3.37Å; H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 3.33Å
192K96.7Very high92.1Very high136 Ų13663.8 Ų63.859%0.59135%0.348SS*.Hα-helixtrans-61.8-42173.7-73.6166.2-171.2165.80111.1E188 D189 I190 A195 R196E188-K192 VanDerWaalsContact O-CG 3.31Å; E188-K192 WeakPolarHBondContact O-CG 3.32Å; E188-K192 PolarHBondContact O-N 2.9Å; D189-K192 PolarHBondContact O-N 3.41Å; I190-K192 VanDerWaalsContact C-N 3.32Å; I190-K192 PolarHBondContact O-N 2.96Å; K192-A195 PolarHBondContact O-N 3.4Å; K192-R196 WeakPolarHBondContact O-CB 3.38Å; K192-R196 PolarHBondContact O-N 3.41Å
193E96Very high91.8Very high43 Ų4366.3 Ų66.320%0.20136%0.361CS..Hα-helixtrans-67.1-40.2177.9-176.655.5-159.900112.4I4 M119 D189 I190 H191 R196 L197I4-E193 HydrophobicContact CD1-CG 4.1Å; M119-E193 HydrophobicContact CE-CB 4.1Å; M119-E193 HydrophobicContact SD-CB 3.9Å; M119-E193 HydrophobicContact SD-CG 4.04Å; D189-E193 PolarHBondContact O-N 2.69Å; I190-E193 PolarHBondContact O-N 2.87Å; H191-E193 VanDerWaalsContact C-N 3.3Å; H191-E193 PolarHBondContact O-N 2.68Å; E193-R196 WeakPolarHBondContact O-CB 3.39Å; E193-R196 PolarHBondContact O-N 3.03Å; E193-R196 IonicContact OE1-CZ 2.77Å; E193-R196 IonicContact OE1-NE 3.74Å; E193-R196 PolarHBondContact OE1-NE 2.96Å; E193-R196 IonicContact OE1-NH2 3.69Å; E193-R196 PolarHBondContact OE1-NH2 2.92Å; E193-R196 IonicContact OE2-CZ 3.32Å; E193-R196 IonicContact OE2-NE 3.51Å; E193-R196 PolarHBondContact OE2-NE 2.56Å; E193-R196 IonicContact OE2-NH2 3.85Å; E193-L197 HydrophobicContact CG-CD1 4.5Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.67Å
194I94.1Very high91.4Very high22 Ų2269.3 Ų69.311%0.11338%0.378CS..Hα-helixtrans-57.6-50.3171.6-70171.9000110.7I4 I27 L97 V99 I190 H191 R196 L197 Q198I4-I194 HydrophobicContact CD1-CB 4.38Å; I4-I194 HydrophobicContact CD1-CG1 3.45Å; I4-I194 VanDerWaalsContact CD1-CG1 3.45Å; I27-I194 HydrophobicContact CG2-CD1 4.17Å; L97-I194 HydrophobicContact CD1-CB 4.46Å; L97-I194 HydrophobicContact CD1-CG1 4.43Å; L97-I194 HydrophobicContact CD1-CG2 4.18Å; L97-I194 HydrophobicContact CD2-CD1 4.29Å; L97-I194 HydrophobicContact CD2-CG1 3.85Å; L97-I194 HydrophobicContact CD2-CG2 4.26Å; V99-I194 HydrophobicContact CG2-CD1 4.14Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 HydrophobicContact CG2-CG1 4.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.36Å; I190-I194 PolarHBondContact O-N 2.84Å; H191-I194 PolarHBondContact O-N 3.37Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 2.88Å; I194-L197 PolarHBondContact O-N 3.2Å; I194-Q198 WeakPolarHBondContact O-CB 3.36Å; I194-Q198 WeakPolarHBondContact O-CG 2.9Å; I194-Q198 PolarHBondContact O-N 2.99Å
195A92.8Very high91Very high19 Ų1971.1 Ų71.116%0.15738%0.381CS..Hα-helixtrans-62-41.2-179.600000111.8H191 K192 Q198 G199 Q200H191-A195 WeakPolarHBondContact O-CB 3.44Å; H191-A195 PolarHBondContact O-N 3.33Å; K192-A195 PolarHBondContact O-N 3.4Å; A195-Q198 PolarHBondContact O-N 3.17Å; A195-G199 PolarHBondContact O-N 3.19Å; A195-G199 VanDerWaalsContact O-N 3.12Å; A195-Q200 HydrophobicContact CB-CB 4.4Å; A195-Q200 PolarHBondContact O-N 3.08Å
196R93.5Very high90.6Very high135 Ų13572.2 Ų72.251%0.50938%0.377SS..Hα-helixtrans-58.6-49.1174.6-170.8-16772.979.3-3.1111.2K192 E193 I194 Q198 G199K192-R196 WeakPolarHBondContact O-CB 3.38Å; K192-R196 PolarHBondContact O-N 3.41Å; E193-R196 WeakPolarHBondContact O-CB 3.39Å; E193-R196 PolarHBondContact O-N 3.03Å; E193-R196 IonicContact OE1-CZ 2.77Å; E193-R196 IonicContact OE1-NE 3.74Å; E193-R196 PolarHBondContact OE1-NE 2.96Å; E193-R196 IonicContact OE1-NH2 3.69Å; E193-R196 PolarHBondContact OE1-NH2 2.92Å; E193-R196 IonicContact OE2-CZ 3.32Å; E193-R196 IonicContact OE2-NE 3.51Å; E193-R196 PolarHBondContact OE2-NE 2.56Å; E193-R196 IonicContact OE2-NH2 3.85Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 2.88Å; R196-Q198 VanDerWaalsContact C-N 3.29Å; R196-Q198 PolarHBondContact O-N 3.05Å; R196-G199 PolarHBondContact O-N 3.07Å; R196-G199 VanDerWaalsContact O-N 3.12Å
197L91.2Very high90Very high47 Ų4776.9 Ų76.925%0.24640%0.401CS..Hα-helixtrans-66.1-32.8178.7-73.1174.9000112.2K2 I4 L97 E193 I194 G199K2-L197 HydrophobicContact CD-CB 4.46Å; K2-L197 WeakPolarHBondContact CD-O 3.46Å; K2-L197 WeakPolarHBondContact CE-O 3.17Å; K2-L197 PolarHBondContact NZ-O 3.43Å; I4-L197 HydrophobicContact CD1-CD1 3.72Å; I4-L197 HydrophobicContact CG1-CD1 3.44Å; I4-L197 VanDerWaalsContact CG1-CD1 3.44Å; L97-L197 HydrophobicContact CD1-CB 3.91Å; L97-L197 HydrophobicContact CD1-CD1 4.12Å; E193-L197 HydrophobicContact CG-CD1 4.5Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 2.67Å; I194-L197 PolarHBondContact O-N 3.2Å; L197-G199 PolarHBondContact O-N 2.84Å
198Q88.1Confident89.4Confident73 Ų7377.7 Ų77.734%0.34141%0.412SS..Hα-helixtrans-75.7-7.2175.3-72.1178.6-29.300113.8L97 I194 A195 R196 Q200L97-Q198 HydrophobicContact CD1-CG 4.35Å; I194-Q198 WeakPolarHBondContact O-CB 3.36Å; I194-Q198 WeakPolarHBondContact O-CG 2.9Å; I194-Q198 PolarHBondContact O-N 2.99Å; A195-Q198 PolarHBondContact O-N 3.17Å; R196-Q198 VanDerWaalsContact C-N 3.29Å; R196-Q198 PolarHBondContact O-N 3.05Å; Q198-Q200 HydrophobicContact CB-CG 4.15Å
199G83Confident88.8Confident60 Ų6075.3 Ų75.362%0.61940%0.404SS*.THydrogen-bonded Turntrans75.926.9179.800000113.3A195 R196 L197 S201A195-G199 PolarHBondContact O-N 3.19Å; A195-G199 VanDerWaalsContact O-N 3.12Å; R196-G199 PolarHBondContact O-N 3.07Å; R196-G199 VanDerWaalsContact O-N 3.12Å; L197-G199 PolarHBondContact O-N 2.84Å; G199-S201 VanDerWaalsContact C-N 3.34Å
200Q72.6Confident88Confident136 Ų13676.6 Ų76.664%0.63641%0.411SS*.  trans-94.618.3179.9-62.6178.20.700113A195 Q198A195-Q200 HydrophobicContact CB-CB 4.4Å; A195-Q200 PolarHBondContact O-N 3.08Å; Q198-Q200 HydrophobicContact CB-CG 4.15Å
201S53.8Low87.1Confident158 Ų15883.5 Ų83.5100%1.10545%0.449SS*.  trans-98.20-177.661.10000113G199G199-S201 VanDerWaalsContact C-N 3.34Å

Retrieved 201 of 201 residues in 46.6 ms (Link to these results)

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