A0A077YYV1_TRITR Loading...

Ly-6 related domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M35.7Very low62.8Low235 Ų235104 Ų104100%1.15859%0.594SS**  091.10-153.7174.4-153.400106.7
2F36.6Very low65.5Low205 Ų20597.1 Ų97.190%0.89955%0.552SS**  trans-90.4109.6-176.9-71.9-84.2000108T4F2-T4 PolarHBondContact O-N 3.11Å; F2-T4 VanDerWaalsContact O-N 3.16Å
3I45.8Very low67.8Low161 Ų16190.3 Ų90.383%0.82651%0.514SS*.  trans-69.6108.8166.3-60.9173000105.5S5I3-S5 PolarHBondContact O-N 3.07Å; I3-S5 VanDerWaalsContact O-N 3.12Å
4T42.4Very low69.8Low125 Ų12583.9 Ų83.977%0.76748%0.477SS*.  trans-53.5115.8166.636.80000108.3F2 I6F2-T4 PolarHBondContact O-N 3.11Å; F2-T4 VanDerWaalsContact O-N 3.16Å; T4-I6 PolarHBondContact O-N 3.42Å
5S44.3Very low71.5Confident92 Ų9278.5 Ų78.564%0.64345%0.447SS*.  trans-56103.4177.1149.50000110.1I3 G7I3-S5 PolarHBondContact O-N 3.07Å; I3-S5 VanDerWaalsContact O-N 3.12Å; S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 VanDerWaalsContact O-N 3.1Å; S5-G7 WeakPolarHBondContact OG-CA 3.4Å
6I58.7Low72.9Confident151 Ų15173.8 Ų73.877%0.77442%0.42SS*.  trans-62.2108.7149.2-65171.1000104.6T4 A8T4-I6 PolarHBondContact O-N 3.42Å; I6-A8 PolarHBondContact O-N 3.08Å
7G64Low74Confident59 Ų5977.4 Ų77.461%0.60843%0.426SS*.  trans-36.794.1-158.600000116.5S5 T9S5-G7 PolarHBondContact O-N 3.41Å; S5-G7 VanDerWaalsContact O-N 3.1Å; S5-G7 WeakPolarHBondContact OG-CA 3.4Å; G7-T9 PolarHBondContact O-N 2.92Å
8A82.8Confident74.9Confident55 Ų5575.3 Ų75.346%0.45541%0.414SS..PPolyproline II helixtrans-68.2121.5173.800000109.7I6 P55 C56I6-A8 PolarHBondContact O-N 3.08Å; A8-P55 HydrophobicContact CB-CB 4.19Å; A8-C56 WeakPolarHBondContact CA-O 3.47Å
9T91.3Very high75.9Confident22 Ų2271.4 Ų71.414%0.13539%0.392CS..EExtended strand (participates in β ladder)trans-79.2136.2174.7-63.30000109.2G7 C56 R132G7-T9 PolarHBondContact O-N 2.92Å; T9-C56 PolarHBondContact N-O 3.49Å; T9-C56 VanDerWaalsContact N-O 3.08Å; T9-C56 PolarHBondContact O-N 3.08Å; T9-R132 WeakPolarHBondContact CG2-O 3.23Å; T9-R132 PolarHBondContact OG1-O 2.83Å
10S94Very high76.7Confident39 Ų3969 Ų6927%0.27339%0.385SS..EExtended strand (participates in β ladder)trans-81.9127.2170.5-174.30000110.7T134 L135S10-T134 CarbonylContact O-C 3.46Å; S10-T134 WeakPolarHBondContact O-CA 3.44Å; S10-L135 PolarHBondContact O-N 2.87Å
11C95.1Very high77.5Confident0 Ų067.9 Ų67.90%038%0.384CS..EExtended strand (participates in β ladder)trans-121.9154.7178.7-55.70000111K53 T54 C56 C60C11-K53 CarbonylContact O-C 3.58Å; C11-K53 VanDerWaalsContact O-CA 3.27Å; C11-K53 WeakPolarHBondContact O-CA 3.2Å; C11-T54 PolarHBondContact N-O 3.15Å; C11-T54 PolarHBondContact O-N 3.42Å; C11-C56 VanDerWaalsContact CB-SG 3.5Å; C11-C56 PolarHBondContact SG-SG 2.84Å; C11-C60 HydrophobicContact CB-CB 3.6Å; C11-C60 WeakPolarHBondContact CB-SG 3.44Å; C11-C60 WeakPolarHBondContact SG-CA 3.18Å; C11-C60 WeakPolarHBondContact SG-CB 3.46Å; C11-C60 CovalentContact SG-SG 2.01Å; C11-C60 PolarHBondContact SG-SG 3.1Å
12Y95.4Very high80.1Confident21 Ų2159 Ų598%0.08234%0.342CS..EExtended strand (participates in β ladder)trans-66.8139167.2-70.2-66.1000110.4G45 I51 K53 R79 G80 L135 N137 G138Y12-G45 VanDerWaalsContact CE2-O 3.3Å; Y12-G45 WeakPolarHBondContact CE2-O 3.44Å; Y12-G45 PolarHBondContact OH-O 2.78Å; Y12-G45 VanDerWaalsContact OH-O 3.06Å; Y12-I51 HydrophobicContact CD1-CB 4.06Å; Y12-I51 HydrophobicContact CD1-CG2 3.44Å; Y12-I51 VanDerWaalsContact CD1-CG2 3.44Å; Y12-I51 HydrophobicContact CE1-CG2 4.32Å; Y12-I51 HydrophobicContact CG-CG2 3.91Å; Y12-K53 HydrophobicContact CD1-CG 4.41Å; Y12-R79 CarbonylContact O-C 3.55Å; Y12-G80 WeakPolarHBondContact O-CA 3.16Å; Y12-G80 PolarHBondContact O-N 2.98Å; Y12-L135 HydrophobicContact CD1-CD2 4.22Å; Y12-L135 HydrophobicContact CD2-CB 4.1Å; Y12-L135 HydrophobicContact CD2-CD2 4.3Å; Y12-L135 HydrophobicContact CE1-CD1 4.46Å; Y12-L135 HydrophobicContact CE1-CD2 4.19Å; Y12-L135 HydrophobicContact CE2-CB 3.6Å; Y12-L135 HydrophobicContact CE2-CD2 4.27Å; Y12-L135 HydrophobicContact CE2-CG 4.32Å; Y12-L135 WeakPolarHBondContact CE2-O 3.25Å; Y12-L135 HydrophobicContact CG-CD2 4.29Å; Y12-N137 WeakPolarHBondContact CB-OD1 3.48Å; Y12-N137 PolarHBondContact N-OD1 3.07Å; Y12-N137 PolarHBondContact O-ND2 2.99Å; Y12-G138 VanDerWaalsContact CD2-CA 3.44Å
13S95.3Very high82.8Confident9 Ų950.1 Ų50.16%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-128.6104.5177.1179.70000109.7S36 G52 R79S13-S36 VanDerWaalsContact CB-OG 3.27Å; S13-S36 WeakPolarHBondContact CB-OG 3.3Å; S13-S36 WeakPolarHBondContact O-CB 3.39Å; S13-S36 PolarHBondContact OG-N 3.15Å; S13-S36 PolarHBondContact OG-OG 3.25Å; S13-G52 PolarHBondContact N-O 3.29Å; S13-R79 WeakPolarHBondContact CA-O 3.24Å
14C95.7Very high84.9Confident0 Ų047.7 Ų47.70%029%0.287CS..EExtended strand (participates in β ladder)trans-155.6161176.6630000111.3A37 C42 I51 R79C14-A37 CarbonylContact C-O 3.55Å; C14-A37 WeakPolarHBondContact CA-O 3.38Å; C14-C42 HydrophobicContact CB-CB 3.82Å; C14-C42 WeakPolarHBondContact CB-SG 3.35Å; C14-C42 PolarHBondContact O-SG 3.06Å; C14-C42 VanDerWaalsContact O-SG 3.34Å; C14-C42 WeakPolarHBondContact SG-CA 3.46Å; C14-C42 WeakPolarHBondContact SG-CB 3.48Å; C14-C42 CovalentContact SG-SG 2.05Å; C14-C42 PolarHBondContact SG-SG 3.46Å; C14-I51 HydrophobicContact CB-CG2 3.88Å; C14-R79 PolarHBondContact N-O 3.27Å; C14-R79 VanDerWaalsContact N-O 3.07Å; C14-R79 PolarHBondContact O-N 3.48Å
15M95.2Very high86.8Confident4 Ų450.6 Ų50.62%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-128.5153.7160.9-64.2-179.8-176.100109.7Y19 W23 Y32 P35 A37 F38 S39 Y77 I78M15-Y19 HydrophobicContact CB-CD2 3.81Å; M15-Y19 HydrophobicContact CB-CG 4.24Å; M15-Y19 HydrophobicContact SD-CG 4.46Å; M15-W23 HydrophobicContact SD-CZ3 4.36Å; M15-Y32 HydrophobicContact CE-CD1 4.05Å; M15-Y32 HydrophobicContact CE-CG 3.94Å; M15-P35 HydrophobicContact CB-CG 3.94Å; M15-P35 HydrophobicContact CE-CB 4.49Å; M15-P35 HydrophobicContact CE-CG 4.44Å; M15-P35 HydrophobicContact CG-CB 3.93Å; M15-P35 HydrophobicContact CG-CG 3.65Å; M15-P35 HydrophobicContact SD-CG 3.97Å; M15-A37 PolarHBondContact N-O 2.88Å; M15-F38 HydrophobicContact CB-CD1 3.82Å; M15-F38 HydrophobicContact CB-CE1 3.97Å; M15-F38 HydrophobicContact CG-CE1 4.47Å; M15-F38 CarbonylContact O-C 3.59Å; M15-F38 VanDerWaalsContact O-CA 3.31Å; M15-F38 WeakPolarHBondContact O-CA 3.36Å; M15-F38 HydrophobicContact SD-CE1 4.05Å; M15-S39 PolarHBondContact O-N 3.2Å; M15-Y77 CarbonylContact C-O 3.58Å; M15-Y77 VanDerWaalsContact CA-O 3.25Å; M15-Y77 WeakPolarHBondContact CA-O 3.42Å; M15-I78 HydrophobicContact CE-CG2 3.75Å; M15-I78 HydrophobicContact CG-CB 4.24Å; M15-I78 HydrophobicContact CG-CG1 4.01Å; M15-I78 HydrophobicContact CG-CG2 3.96Å; M15-I78 HydrophobicContact SD-CG1 4.4Å; M15-I78 HydrophobicContact SD-CG2 4.46Å
16S93.7Very high88.6Confident2 Ų250.6 Ų50.61%0.01428%0.278CS..  trans-53.2149.2170.1-71.70000111.1I18 Y19 S39 Y77S16-I18 PolarHBondContact O-N 3.5Å; S16-I18 VanDerWaalsContact O-N 3.1Å; S16-Y19 WeakPolarHBondContact O-CD2 3.22Å; S16-Y19 PolarHBondContact O-N 3.48Å; S16-Y19 VanDerWaalsContact O-N 3.1Å; S16-S39 WeakPolarHBondContact CA-O 3.41Å; S16-Y77 PolarHBondContact N-O 3.04Å; S16-Y77 PolarHBondContact OG-N 3.25Å
17Y92.2Very high89.9Confident136 Ų13648.5 Ų48.553%0.53327%0.268SS..Hα-helixtrans-52.8-36.1-178.2177.3-102.1000113.3Y19 G20 A21 D40Y17-Y19 PolarHBondContact O-N 2.94Å; Y17-G20 CarbonylContact O-C 3.6Å; Y17-G20 WeakPolarHBondContact O-CA 3.27Å; Y17-G20 PolarHBondContact O-N 3.43Å; Y17-A21 HydrophobicContact CD1-CB 4.32Å; Y17-A21 HydrophobicContact CE1-CB 3.9Å; Y17-A21 PolarHBondContact O-N 2.9Å; Y17-D40 WeakPolarHBondContact CB-OD1 3.27Å
18I90.3Very high91.2Very high40 Ų4047.6 Ų47.621%0.20525%0.247CC..Hα-helixtrans-55.3-34.6179.8-167.6166.2000114S16 N22 M67 V69S16-I18 PolarHBondContact O-N 3.5Å; S16-I18 VanDerWaalsContact O-N 3.1Å; I18-N22 PolarHBondContact O-N 3.34Å; I18-N22 PolarHBondContact O-ND2 3.15Å; I18-M67 HydrophobicContact CD1-SD 3.91Å; I18-M67 HydrophobicContact CG2-CE 3.8Å; I18-M67 HydrophobicContact CG2-SD 3.65Å; I18-V69 HydrophobicContact CD1-CG2 3.93Å
19Y93.1Very high91.6Very high0 Ų048.2 Ų48.20%024%0.239CC..Hα-helixtrans-69.8-37.7175.3-63.4-79000111.3M15 S16 Y17 N22 W23 Y28 Y32 E65 M67 I78M15-Y19 HydrophobicContact CB-CD2 3.81Å; M15-Y19 HydrophobicContact CB-CG 4.24Å; M15-Y19 HydrophobicContact SD-CG 4.46Å; S16-Y19 WeakPolarHBondContact O-CD2 3.22Å; S16-Y19 PolarHBondContact O-N 3.48Å; S16-Y19 VanDerWaalsContact O-N 3.1Å; Y17-Y19 PolarHBondContact O-N 2.94Å; Y19-N22 CarbonylContact O-C 3.57Å; Y19-W23 VanDerWaalsContact O-CA 3.29Å; Y19-W23 WeakPolarHBondContact O-CA 3.43Å; Y19-W23 PolarHBondContact O-N 3.5Å; Y19-Y28 HydrophobicContact CD1-CD1 4.28Å; Y19-Y28 HydrophobicContact CD1-CD2 4.21Å; Y19-Y28 HydrophobicContact CD1-CE1 4.02Å; Y19-Y28 AromaticContact CD1-CE2 3.95Å; Y19-Y28 HydrophobicContact CD1-CE2 3.95Å; Y19-Y28 HydrophobicContact CD1-CG 4.37Å; Y19-Y28 AromaticContact CD1-CZ 3.86Å; Y19-Y28 HydrophobicContact CE1-CE1 4.26Å; Y19-Y32 HydrophobicContact CD1-CE2 4.4Å; Y19-Y32 HydrophobicContact CE1-CE2 4.35Å; Y19-E65 PolarHBondContact OH-OE2 3.26Å; Y19-M67 HydrophobicContact CD1-CE 4.21Å; Y19-M67 HydrophobicContact CD2-CE 4.4Å; Y19-M67 HydrophobicContact CE1-CE 3.47Å; Y19-M67 VanDerWaalsContact CE1-CE 3.47Å; Y19-M67 HydrophobicContact CE2-CE 3.71Å; Y19-M67 VanDerWaalsContact OH-CE 3.29Å; Y19-M67 WeakPolarHBondContact OH-CE 3.35Å; Y19-I78 HydrophobicContact CD2-CG1 4.42Å; Y19-I78 HydrophobicContact CE1-CD1 4.05Å; Y19-I78 HydrophobicContact CE1-CG1 4.39Å; Y19-I78 HydrophobicContact CE2-CD1 4.26Å; Y19-I78 HydrophobicContact CE2-CG1 3.72Å
20G93.4Very high91.6Very high23 Ų2351.4 Ų51.424%0.23725%0.253CS..Hα-helixtrans-69.2-42.9177.100000112.5Y17 N22 W23 F38Y17-G20 CarbonylContact O-C 3.6Å; Y17-G20 WeakPolarHBondContact O-CA 3.27Å; Y17-G20 PolarHBondContact O-N 3.43Å; G20-N22 PolarHBondContact O-N 3.46Å; G20-W23 WeakPolarHBondContact O-CB 3.32Å; G20-W23 PolarHBondContact O-N 2.92Å; G20-F38 VanDerWaalsContact CA-CG 3.47Å; G20-F38 VanDerWaalsContact N-CD1 3.27Å
21A92.2Very high91.4Very high46 Ų4650 Ų5038%0.3824%0.242SC..Hα-helixtrans-61.4-30.1177.400000112.8Y17Y17-A21 HydrophobicContact CD1-CB 4.32Å; Y17-A21 HydrophobicContact CE1-CB 3.9Å; Y17-A21 PolarHBondContact O-N 2.9Å
22N90.5Very high91.4Very high49 Ų4950.1 Ų50.126%0.26224%0.242SC..THydrogen-bonded Turntrans-108.612.3-179.3-66.2-75.3000113.6I18 Y19 G20 E24 Y25 L26 Y28I18-N22 PolarHBondContact O-N 3.34Å; I18-N22 PolarHBondContact O-ND2 3.15Å; Y19-N22 CarbonylContact O-C 3.57Å; G20-N22 PolarHBondContact O-N 3.46Å; N22-E24 PolarHBondContact O-N 3.34Å; N22-Y25 PolarHBondContact O-N 3Å; N22-L26 HydrophobicContact CB-CB 4.26Å; N22-L26 HydrophobicContact CB-CD1 3.65Å; N22-L26 HydrophobicContact CB-CG 3.9Å; N22-L26 PolarHBondContact O-N 2.89Å; N22-L26 VanDerWaalsContact O-N 3.12Å; N22-Y28 HydrophobicContact CB-CD2 3.97Å; N22-Y28 HydrophobicContact CB-CE2 3.76Å
23W93.1Very high91.4Very high18 Ų1851.8 Ų51.87%0.06825%0.252CS..THydrogen-bonded Turntrans-56.5-39.6-169.5-175-104.3000112.9M15 Y19 G20 K29 Y32 R34 F38M15-W23 HydrophobicContact SD-CZ3 4.36Å; Y19-W23 VanDerWaalsContact O-CA 3.29Å; Y19-W23 WeakPolarHBondContact O-CA 3.43Å; Y19-W23 PolarHBondContact O-N 3.5Å; G20-W23 WeakPolarHBondContact O-CB 3.32Å; G20-W23 PolarHBondContact O-N 2.92Å; W23-K29 HydrophobicContact CD2-CB 4.34Å; W23-K29 HydrophobicContact CZ2-CB 4.1Å; W23-K29 PolarHBondContact O-N 3.45Å; W23-Y32 WeakPolarHBondContact CH2-O 3.47Å; W23-R34 HydrophobicContact CH2-CB 4.3Å; W23-R34 HydrophobicContact CZ2-CB 3.91Å; W23-R34 HydrophobicContact CZ2-CG 4.36Å; W23-F38 AromaticContact CD2-CZ 3.8Å; W23-F38 HydrophobicContact CD2-CZ 3.8Å; W23-F38 AromaticContact CE3-CE1 3.89Å; W23-F38 HydrophobicContact CE3-CE1 3.89Å; W23-F38 AromaticContact CE3-CZ 3.48Å; W23-F38 HydrophobicContact CE3-CZ 3.48Å; W23-F38 VanDerWaalsContact CE3-CZ 3.48Å; W23-F38 HydrophobicContact CG-CZ 4.36Å; W23-F38 HydrophobicContact CH2-CZ 4.46Å; W23-F38 HydrophobicContact CZ3-CE1 4.17Å; W23-F38 AromaticContact CZ3-CZ 3.85Å; W23-F38 HydrophobicContact CZ3-CZ 3.85Å
24E90.7Very high91.4Very high110 Ų11059.2 Ų59.251%0.51428%0.279SS..THydrogen-bonded Turntrans-85-15.9-179.3-64.1-58.215200114.1N22 K29N22-E24 PolarHBondContact O-N 3.34Å; E24-K29 WeakPolarHBondContact OE2-CD 3.36Å; E24-K29 IonicContact OE2-NZ 2.86Å; E24-K29 PolarHBondContact OE2-NZ 2.86Å
25Y82.4Confident91.4Very high186 Ų18659.8 Ų59.873%0.72928%0.283SS*.THydrogen-bonded Turntrans-110.1-29.7-165.2-56.5-67.4000114.9N22N22-Y25 PolarHBondContact O-N 3Å
26L82.1Confident91.4Very high92 Ų9262.9 Ų62.948%0.48231%0.305SS..SBendtrans-115.339.5-170.6-63.7-177000113.6N22 Y28N22-L26 HydrophobicContact CB-CB 4.26Å; N22-L26 HydrophobicContact CB-CD1 3.65Å; N22-L26 HydrophobicContact CB-CG 3.9Å; N22-L26 PolarHBondContact O-N 2.89Å; N22-L26 VanDerWaalsContact O-N 3.12Å; L26-Y28 HydrophobicContact CB-CD2 4.07Å; L26-Y28 HydrophobicContact CB-CE2 3.92Å; L26-Y28 HydrophobicContact CB-CG 4.47Å; L26-Y28 HydrophobicContact CD1-CE2 4.09Å; L26-Y28 PolarHBondContact O-N 2.93Å
27D86Confident91.4Very high108 Ų10864.1 Ų64.158%0.57832%0.315SS*.SBendtrans54.86.1-178.5-62.9-31.2000115.8K29 E30 L31D27-K29 PolarHBondContact O-N 3.33Å; D27-E30 PolarHBondContact O-N 2.96Å; D27-L31 PolarHBondContact O-N 2.74Å
28Y90.4Very high91.5Very high39 Ų3959.7 Ų59.715%0.15330%0.299CS..Hα-helixtrans-59.6-35.8-179.1-68.7-33.3000111.9Y19 N22 L26 E30 L31 Y32Y19-Y28 HydrophobicContact CD1-CD1 4.28Å; Y19-Y28 HydrophobicContact CD1-CD2 4.21Å; Y19-Y28 HydrophobicContact CD1-CE1 4.02Å; Y19-Y28 AromaticContact CD1-CE2 3.95Å; Y19-Y28 HydrophobicContact CD1-CE2 3.95Å; Y19-Y28 HydrophobicContact CD1-CG 4.37Å; Y19-Y28 AromaticContact CD1-CZ 3.86Å; Y19-Y28 HydrophobicContact CE1-CE1 4.26Å; N22-Y28 HydrophobicContact CB-CD2 3.97Å; N22-Y28 HydrophobicContact CB-CE2 3.76Å; L26-Y28 HydrophobicContact CB-CD2 4.07Å; L26-Y28 HydrophobicContact CB-CE2 3.92Å; L26-Y28 HydrophobicContact CB-CG 4.47Å; L26-Y28 HydrophobicContact CD1-CE2 4.09Å; L26-Y28 PolarHBondContact O-N 2.93Å; Y28-E30 VanDerWaalsContact C-N 3.29Å; Y28-E30 PolarHBondContact O-N 3.47Å; Y28-L31 PolarHBondContact O-N 2.94Å; Y28-Y32 HydrophobicContact CD1-CD2 4.03Å; Y28-Y32 AromaticContact CD1-CE2 3.66Å; Y28-Y32 HydrophobicContact CD1-CE2 3.66Å; Y28-Y32 HydrophobicContact CE1-CE2 4.23Å; Y28-Y32 HydrophobicContact CG-CD2 4.4Å; Y28-Y32 HydrophobicContact CG-CE2 4.42Å; Y28-Y32 WeakPolarHBondContact O-CB 3.25Å; Y28-Y32 PolarHBondContact O-N 2.89Å
29K91.7Very high91.6Very high68 Ų6858.7 Ų58.730%0.29630%0.295SS..Hα-helixtrans-64.4-30.3174.467.8177.9175.1-1710114.2W23 E24 D27 R87W23-K29 HydrophobicContact CD2-CB 4.34Å; W23-K29 HydrophobicContact CZ2-CB 4.1Å; W23-K29 PolarHBondContact O-N 3.45Å; E24-K29 WeakPolarHBondContact OE2-CD 3.36Å; E24-K29 IonicContact OE2-NZ 2.86Å; E24-K29 PolarHBondContact OE2-NZ 2.86Å; D27-K29 PolarHBondContact O-N 3.33Å; K29-R87 VanDerWaalsContact O-CZ 3.31Å; K29-R87 PolarHBondContact O-NE 3.04Å; K29-R87 PolarHBondContact O-NH2 3.49Å
30E90.4Very high91.2Very high89 Ų8964.2 Ų64.242%0.41633%0.325SS..Hα-helixtrans-82.5-31.8177.5-59.9-52.614100110.9D27 Y28 R87D27-E30 PolarHBondContact O-N 2.96Å; Y28-E30 VanDerWaalsContact C-N 3.29Å; Y28-E30 PolarHBondContact O-N 3.47Å; E30-R87 WeakPolarHBondContact O-CD 3.34Å
31L91Very high91Very high9 Ų969.2 Ų69.25%0.04734%0.337CS..Hα-helixtrans-82.5-44.7-178.3179.757000113.3D27 Y28 F86 R87 I115 P121D27-L31 PolarHBondContact O-N 2.74Å; Y28-L31 PolarHBondContact O-N 2.94Å; L31-F86 HydrophobicContact CD1-CD1 4.16Å; L31-F86 HydrophobicContact CG-CD1 4.43Å; L31-F86 WeakPolarHBondContact O-CA 3.45Å; L31-R87 PolarHBondContact O-N 2.9Å; L31-I115 HydrophobicContact CD1-CB 4.48Å; L31-I115 HydrophobicContact CD1-CD1 3.58Å; L31-I115 HydrophobicContact CD1-CG1 3.98Å; L31-I115 HydrophobicContact CD1-CG2 3.67Å; L31-I115 HydrophobicContact CD2-CD1 4.25Å; L31-I115 HydrophobicContact CG-CD1 4.49Å; L31-P121 HydrophobicContact CD2-CG 3.95Å
32Y94.5Very high91Very high3 Ų367 Ų671%0.01232%0.318CS..BIsolated β-bridgetrans-110.3150.5-170.3-60.4-68.8000112.2M15 Y19 W23 Y28 I78 I85 F86 M111M15-Y32 HydrophobicContact CE-CD1 4.05Å; M15-Y32 HydrophobicContact CE-CG 3.94Å; Y19-Y32 HydrophobicContact CD1-CE2 4.4Å; Y19-Y32 HydrophobicContact CE1-CE2 4.35Å; W23-Y32 WeakPolarHBondContact CH2-O 3.47Å; Y28-Y32 HydrophobicContact CD1-CD2 4.03Å; Y28-Y32 AromaticContact CD1-CE2 3.66Å; Y28-Y32 HydrophobicContact CD1-CE2 3.66Å; Y28-Y32 HydrophobicContact CE1-CE2 4.23Å; Y28-Y32 HydrophobicContact CG-CD2 4.4Å; Y28-Y32 HydrophobicContact CG-CE2 4.42Å; Y28-Y32 WeakPolarHBondContact O-CB 3.25Å; Y28-Y32 PolarHBondContact O-N 2.89Å; Y32-I78 HydrophobicContact CD1-CD1 4.48Å; Y32-I78 HydrophobicContact CE1-CD1 3.71Å; Y32-I85 CarbonylContact C-O 3.58Å; Y32-I85 VanDerWaalsContact CA-O 3.31Å; Y32-I85 WeakPolarHBondContact CA-O 3.48Å; Y32-I85 HydrophobicContact CD1-CG2 4.15Å; Y32-I85 HydrophobicContact CE1-CG2 4.37Å; Y32-F86 AromaticContact CD1-CD1 3.83Å; Y32-F86 HydrophobicContact CD1-CD1 3.83Å; Y32-F86 AromaticContact CD1-CE1 3.99Å; Y32-F86 HydrophobicContact CD1-CE1 3.99Å; Y32-F86 AromaticContact CE1-CD1 3.73Å; Y32-F86 HydrophobicContact CE1-CD1 3.73Å; Y32-F86 AromaticContact CE1-CE1 3.4Å; Y32-F86 HydrophobicContact CE1-CE1 3.4Å; Y32-F86 VanDerWaalsContact CE1-CE1 3.4Å; Y32-F86 HydrophobicContact CE1-CZ 4.47Å; Y32-M111 VanDerWaalsContact OH-CE 3.29Å; Y32-M111 WeakPolarHBondContact OH-CE 3.45Å
33L96.1Very high90.9Very high56 Ų5665.7 Ų65.729%0.29332%0.315SS..PPolyproline II helixtrans-77.8142.7159-70.6166000108.9Q84 I85L33-Q84 WeakPolarHBondContact CB-O 3.37Å; L33-Q84 HydrophobicContact CD1-CB 4.4Å; L33-I85 PolarHBondContact N-O 2.88Å
34R95.7Very high90.5Very high166 Ų16669.8 Ų69.863%0.62634%0.338SS*.PPolyproline II helixtrans-64.2127.5-178.2-170.7-179.2179.896-3.5109.5W23 F38W23-R34 HydrophobicContact CH2-CB 4.3Å; W23-R34 HydrophobicContact CZ2-CB 3.91Å; W23-R34 HydrophobicContact CZ2-CG 4.36Å; R34-F38 HydrophobicContact CG-CE2 4.06Å; R34-F38 HydrophobicContact CG-CZ 4.24Å
35P95.5Very high89.3Confident12 Ų1264.7 Ų64.78%0.07832%0.315CS..PPolyproline II helixtrans-72.5170.7176.335.2-39.7000110.9M15 A37 F38M15-P35 HydrophobicContact CB-CG 3.94Å; M15-P35 HydrophobicContact CE-CB 4.49Å; M15-P35 HydrophobicContact CE-CG 4.44Å; M15-P35 HydrophobicContact CG-CB 3.93Å; M15-P35 HydrophobicContact CG-CG 3.65Å; M15-P35 HydrophobicContact SD-CG 3.97Å; P35-A37 WeakPolarHBondContact CG-O 3.23Å; P35-A37 PolarHBondContact O-N 3.35Å; P35-F38 VanDerWaalsContact CD-CZ 3.49Å; P35-F38 HydrophobicContact CG-CD1 3.97Å; P35-F38 HydrophobicContact CG-CE1 3.64Å; P35-F38 HydrophobicContact CG-CE2 4.28Å; P35-F38 HydrophobicContact CG-CG 4.42Å; P35-F38 HydrophobicContact CG-CZ 3.82Å
36S94.4Very high88.4Confident68 Ų6861 Ų6148%0.47632%0.316SS..SBendtrans-64.9-25.9174.5-57.20000113S13S13-S36 VanDerWaalsContact CB-OG 3.27Å; S13-S36 WeakPolarHBondContact CB-OG 3.3Å; S13-S36 WeakPolarHBondContact O-CB 3.39Å; S13-S36 PolarHBondContact OG-N 3.15Å; S13-S36 PolarHBondContact OG-OG 3.25Å
37A93.6Very high88Confident28 Ų2858 Ų5823%0.23130%0.301CS..  trans-154.6149.1174.700000112.7C14 M15 P35C14-A37 CarbonylContact C-O 3.55Å; C14-A37 WeakPolarHBondContact CA-O 3.38Å; M15-A37 PolarHBondContact N-O 2.88Å; P35-A37 WeakPolarHBondContact CG-O 3.23Å; P35-A37 PolarHBondContact O-N 3.35Å
38F94.2Very high87.3Confident43 Ų4355.8 Ų55.819%0.18929%0.294CS..BIsolated β-bridgetrans-100121.7162.1-63.1-76000108.6M15 G20 W23 R34 P35M15-F38 HydrophobicContact CB-CD1 3.82Å; M15-F38 HydrophobicContact CB-CE1 3.97Å; M15-F38 HydrophobicContact CG-CE1 4.47Å; M15-F38 CarbonylContact O-C 3.59Å; M15-F38 VanDerWaalsContact O-CA 3.31Å; M15-F38 WeakPolarHBondContact O-CA 3.36Å; M15-F38 HydrophobicContact SD-CE1 4.05Å; G20-F38 VanDerWaalsContact CA-CG 3.47Å; G20-F38 VanDerWaalsContact N-CD1 3.27Å; W23-F38 AromaticContact CD2-CZ 3.8Å; W23-F38 HydrophobicContact CD2-CZ 3.8Å; W23-F38 AromaticContact CE3-CE1 3.89Å; W23-F38 HydrophobicContact CE3-CE1 3.89Å; W23-F38 AromaticContact CE3-CZ 3.48Å; W23-F38 HydrophobicContact CE3-CZ 3.48Å; W23-F38 VanDerWaalsContact CE3-CZ 3.48Å; W23-F38 HydrophobicContact CG-CZ 4.36Å; W23-F38 HydrophobicContact CH2-CZ 4.46Å; W23-F38 HydrophobicContact CZ3-CE1 4.17Å; W23-F38 AromaticContact CZ3-CZ 3.85Å; W23-F38 HydrophobicContact CZ3-CZ 3.85Å; R34-F38 HydrophobicContact CG-CE2 4.06Å; R34-F38 HydrophobicContact CG-CZ 4.24Å; P35-F38 VanDerWaalsContact CD-CZ 3.49Å; P35-F38 HydrophobicContact CG-CD1 3.97Å; P35-F38 HydrophobicContact CG-CE1 3.64Å; P35-F38 HydrophobicContact CG-CE2 4.28Å; P35-F38 HydrophobicContact CG-CG 4.42Å; P35-F38 HydrophobicContact CG-CZ 3.82Å
39S91.8Very high86.6Confident19 Ų1961.9 Ų61.913%0.13332%0.321CS..  trans-157.3138.6-171.7177.40000112.3M15 S16 R41 C42M15-S39 PolarHBondContact O-N 3.2Å; S16-S39 WeakPolarHBondContact CA-O 3.41Å; S39-R41 PolarHBondContact O-N 2.89Å; S39-R41 PolarHBondContact OG-N 3.14Å; S39-R41 VanDerWaalsContact OG-N 3.12Å; S39-C42 WeakPolarHBondContact O-CB 3.24Å; S39-C42 PolarHBondContact O-N 2.6Å
40D86.1Confident85.8Confident117 Ų11764 Ų6463%0.62633%0.328SS*.G310 helixtrans-62.9-22.5170.8-67.1-34.2000112.6Y17 C42Y17-D40 WeakPolarHBondContact CB-OD1 3.27Å; D40-C42 PolarHBondContact O-N 3.12Å
41R89.2Confident85.6Confident127 Ų12760 Ų6048%0.47931%0.309SS..G310 helixtrans-77.5-2.9176.2-55.8-147.9179.2-160.31.2112.9S39 A43 N44 D47 I51S39-R41 PolarHBondContact O-N 2.89Å; S39-R41 PolarHBondContact OG-N 3.14Å; S39-R41 VanDerWaalsContact OG-N 3.12Å; R41-A43 PolarHBondContact O-N 3.37Å; R41-A43 VanDerWaalsContact O-N 3.07Å; R41-N44 CarbonylContact O-C 3.58Å; R41-N44 PolarHBondContact O-N 3.42Å; R41-D47 HydrophobicContact CB-CB 4.45Å; R41-D47 WeakPolarHBondContact CD-OD2 3.47Å; R41-D47 IonicContact CZ-OD2 3.44Å; R41-D47 IonicContact NE-OD2 3.53Å; R41-D47 IonicContact NH1-OD2 2.66Å; R41-D47 PolarHBondContact NH1-OD2 2.9Å; R41-I51 WeakPolarHBondContact O-CD1 3.45Å
42C92Very high85.5Confident0 Ų060.6 Ų60.60%032%0.318CS..G310 helixtrans-59.1-22.3174.4-164.50000112.7C14 S39 D40 N44 R79C14-C42 HydrophobicContact CB-CB 3.82Å; C14-C42 WeakPolarHBondContact CB-SG 3.35Å; C14-C42 PolarHBondContact O-SG 3.06Å; C14-C42 VanDerWaalsContact O-SG 3.34Å; C14-C42 WeakPolarHBondContact SG-CA 3.46Å; C14-C42 WeakPolarHBondContact SG-CB 3.48Å; C14-C42 CovalentContact SG-SG 2.05Å; C14-C42 PolarHBondContact SG-SG 3.46Å; S39-C42 WeakPolarHBondContact O-CB 3.24Å; S39-C42 PolarHBondContact O-N 2.6Å; D40-C42 PolarHBondContact O-N 3.12Å; C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 3.43Å; C42-R79 VanDerWaalsContact O-CZ 3.26Å; C42-R79 PolarHBondContact O-NE 3.46Å; C42-R79 PolarHBondContact O-NH2 2.85Å
43A89.2Confident85.5Confident22 Ų2265.6 Ų65.618%0.18234%0.339CS..G310 helixtrans-63-34.7169.900000113.3R41 Y77 R79R41-A43 PolarHBondContact O-N 3.37Å; R41-A43 VanDerWaalsContact O-N 3.07Å; A43-Y77 HydrophobicContact CB-CD1 4.41Å; A43-Y77 HydrophobicContact CB-CD2 3.69Å; A43-Y77 HydrophobicContact CB-CE1 4.2Å; A43-Y77 HydrophobicContact CB-CE2 3.46Å; A43-Y77 VanDerWaalsContact CB-CE2 3.46Å; A43-Y77 HydrophobicContact CB-CG 4.17Å; A43-R79 PolarHBondContact O-NH2 3.47Å
44N82.8Confident85.4Confident103 Ų10363.8 Ų63.855%0.55133%0.331SS*.  trans-110.789.4-174.1-68-21.3000110.7R41 C42 S46 D47 I51R41-N44 CarbonylContact O-C 3.58Å; R41-N44 PolarHBondContact O-N 3.42Å; C42-N44 VanDerWaalsContact C-N 3.31Å; C42-N44 PolarHBondContact O-N 3.43Å; N44-S46 PolarHBondContact O-N 2.91Å; N44-D47 PolarHBondContact O-N 3.27Å; N44-D47 VanDerWaalsContact O-N 3.1Å; N44-I51 VanDerWaalsContact O-CD1 3.3Å; N44-I51 WeakPolarHBondContact O-CD1 3.11Å
45G66Low85.4Confident4 Ų460.1 Ų60.14%0.04133%0.329CS..THydrogen-bonded Turntrans-65-4.1-178.900000115.6Y12 D47 G138Y12-G45 VanDerWaalsContact CE2-O 3.3Å; Y12-G45 WeakPolarHBondContact CE2-O 3.44Å; Y12-G45 PolarHBondContact OH-O 2.78Å; Y12-G45 VanDerWaalsContact OH-O 3.06Å; G45-D47 PolarHBondContact O-N 2.8Å; G45-G138 VanDerWaalsContact CA-O 3.23Å; G45-G138 WeakPolarHBondContact CA-O 3.25Å; G45-G138 PolarHBondContact N-O 2.94Å
46S64.7Low85.4Confident107 Ų10759.7 Ų59.775%0.74833%0.326SS*.THydrogen-bonded Turntrans-71-18.7171.353.80000113N44 S48N44-S46 PolarHBondContact O-N 2.91Å; S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.35Å; S46-S48 VanDerWaalsContact O-N 3.09Å
47D72.3Confident85.4Confident31 Ų3162.2 Ų62.217%0.16633%0.333CS..  trans-91.865.1-174.6-153.3-16.9000113.2R41 N44 G45 K49 Y50 I51R41-D47 HydrophobicContact CB-CB 4.45Å; R41-D47 WeakPolarHBondContact CD-OD2 3.47Å; R41-D47 IonicContact CZ-OD2 3.44Å; R41-D47 IonicContact NE-OD2 3.53Å; R41-D47 IonicContact NH1-OD2 2.66Å; R41-D47 PolarHBondContact NH1-OD2 2.9Å; N44-D47 PolarHBondContact O-N 3.27Å; N44-D47 VanDerWaalsContact O-N 3.1Å; G45-D47 PolarHBondContact O-N 2.8Å; D47-K49 PolarHBondContact O-N 2.76Å; D47-Y50 VanDerWaalsContact CG-CD2 3.43Å; D47-Y50 PolarHBondContact O-N 3.24Å; D47-Y50 VanDerWaalsContact O-N 3.09Å; D47-Y50 VanDerWaalsContact OD1-CD2 3.24Å; D47-Y50 WeakPolarHBondContact OD1-CD2 3.29Å; D47-Y50 VanDerWaalsContact OD2-CD2 3.31Å; D47-Y50 WeakPolarHBondContact OD2-CD2 3.5Å; D47-I51 WeakPolarHBondContact O-CG1 3.36Å; D47-I51 PolarHBondContact O-N 3.01Å
48S71.5Confident85.5Confident61 Ų6162.7 Ų62.743%0.42733%0.331SS..THydrogen-bonded Turntrans-58-15-177.367.50000115S46S46-S48 VanDerWaalsContact C-N 3.32Å; S46-S48 PolarHBondContact O-N 3.35Å; S46-S48 VanDerWaalsContact O-N 3.09Å
49K75.5Confident85.6Confident166 Ų16660.9 Ų60.972%0.72232%0.323SS*.THydrogen-bonded Turntrans-72.2-31.8177.6-175.3176.7179.2-178.20112.3D47D47-K49 PolarHBondContact O-N 2.76Å
50Y75.9Confident85.8Confident113 Ų11360 Ų6044%0.44332%0.316SS..THydrogen-bonded Turntrans-111.12.3-175.9-55.7-79.8000113.3D47D47-Y50 VanDerWaalsContact CG-CD2 3.43Å; D47-Y50 PolarHBondContact O-N 3.24Å; D47-Y50 VanDerWaalsContact O-N 3.09Å; D47-Y50 VanDerWaalsContact OD1-CD2 3.24Å; D47-Y50 WeakPolarHBondContact OD1-CD2 3.29Å; D47-Y50 VanDerWaalsContact OD2-CD2 3.31Å; D47-Y50 WeakPolarHBondContact OD2-CD2 3.5Å
51I86.1Confident86.3Confident4 Ų454.4 Ų54.42%0.02129%0.287CS..SBendtrans-118.1117.5-180-58.6175.3000107.4Y12 C14 R41 N44 D47Y12-I51 HydrophobicContact CD1-CB 4.06Å; Y12-I51 HydrophobicContact CD1-CG2 3.44Å; Y12-I51 VanDerWaalsContact CD1-CG2 3.44Å; Y12-I51 HydrophobicContact CE1-CG2 4.32Å; Y12-I51 HydrophobicContact CG-CG2 3.91Å; C14-I51 HydrophobicContact CB-CG2 3.88Å; R41-I51 WeakPolarHBondContact O-CD1 3.45Å; N44-I51 VanDerWaalsContact O-CD1 3.3Å; N44-I51 WeakPolarHBondContact O-CD1 3.11Å; D47-I51 WeakPolarHBondContact O-CG1 3.36Å; D47-I51 PolarHBondContact O-N 3.01Å
52G89.6Confident86.6Confident22 Ų2248.5 Ų48.523%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-66.8165.317700000112.3S13S13-G52 PolarHBondContact N-O 3.29Å
53K93.2Very high86.8Confident108 Ų10848.5 Ų48.547%0.4727%0.265SS..EExtended strand (participates in β ladder)trans-124.6147.1178.5-59172.2-174.3173.70108.8C11 Y12 L135C11-K53 CarbonylContact O-C 3.58Å; C11-K53 VanDerWaalsContact O-CA 3.27Å; C11-K53 WeakPolarHBondContact O-CA 3.2Å; Y12-K53 HydrophobicContact CD1-CG 4.41Å; K53-L135 HydrophobicContact CD-CD1 4.47Å; K53-L135 HydrophobicContact CD-CD2 4.02Å; K53-L135 HydrophobicContact CG-CD2 3.99Å
54T94.5Very high87.1Confident18 Ų1848.5 Ų48.511%0.1126%0.262CS..EExtended strand (participates in β ladder)trans-136.3143.5176.7-169.60000109.8C11 C81 Q84C11-T54 PolarHBondContact N-O 3.15Å; C11-T54 PolarHBondContact O-N 3.42Å; T54-C81 WeakPolarHBondContact CG2-SG 3.25Å; T54-Q84 PolarHBondContact OG1-OE1 2.92Å; T54-Q84 VanDerWaalsContact OG1-OE1 3.04Å
55P95.3Very high87.6Confident90 Ų9044.5 Ų44.558%0.58424%0.239SC*.EExtended strand (participates in β ladder)trans-73.9133.617030.3-33.3000110.4A8A8-P55 HydrophobicContact CB-CB 4.19Å
56C96Very high88.6Confident2 Ų249.1 Ų49.11%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-119.1140-179.2-57.90000111.6A8 T9 C11 H58 C81A8-C56 WeakPolarHBondContact CA-O 3.47Å; T9-C56 PolarHBondContact N-O 3.49Å; T9-C56 VanDerWaalsContact N-O 3.08Å; T9-C56 PolarHBondContact O-N 3.08Å; C11-C56 VanDerWaalsContact CB-SG 3.5Å; C11-C56 PolarHBondContact SG-SG 2.84Å; C56-H58 VanDerWaalsContact CB-O 3.23Å; C56-H58 WeakPolarHBondContact CB-O 3.31Å; C56-C81 WeakPolarHBondContact CA-SG 3.42Å; C56-C81 HydrophobicContact CB-CB 3.62Å; C56-C81 WeakPolarHBondContact CB-SG 3.23Å; C56-C81 WeakPolarHBondContact SG-CA 3.27Å; C56-C81 WeakPolarHBondContact SG-CB 3.07Å; C56-C81 CovalentContact SG-SG 2.01Å; C56-C81 PolarHBondContact SG-SG 3.19Å
57L94Very high89.4Confident122 Ų12244.9 Ų44.964%0.63923%0.227SC*.SBendtrans-79.5-42.9171.7-179.363000111
58H94.9Very high89.6Confident38 Ų3855 Ų5518%0.17626%0.263CS..SBendtrans-106.7-171.7174.3-58.9102.2000111.7C56 Y82 D83 K101 Y102C56-H58 VanDerWaalsContact CB-O 3.23Å; C56-H58 WeakPolarHBondContact CB-O 3.31Å; H58-Y82 HydrophobicContact CB-CD1 4.46Å; H58-D83 WeakPolarHBondContact CB-OD2 3.46Å; H58-D83 IonicContact CE1-OD1 3.5Å; H58-D83 PolarHBondContact CE1-OD1 3.14Å; H58-D83 IonicContact CE1-OD2 3.49Å; H58-D83 IonicContact CG-OD1 2.65Å; H58-D83 IonicContact CG-OD2 3.76Å; H58-D83 PolarHBondContact N-OD2 2.89Å; H58-D83 IonicContact ND1-OD1 3.24Å; H58-D83 PolarHBondContact ND1-OD1 2.59Å; H58-D83 IonicContact ND1-OD2 2.74Å; H58-D83 PolarHBondContact ND1-OD2 2.74Å; H58-K101 HydrophobicContact CB-CG 4.13Å; H58-K101 WeakPolarHBondContact CE1-CE 3.4Å; H58-K101 WeakPolarHBondContact NE2-CE 3.34Å; H58-Y102 AromaticContact CD2-CE1 3.65Å; H58-Y102 AromaticContact NE2-CE1 3.87Å
59N96.4Very high89.5Confident4 Ų456 Ų562%0.02127%0.266CS..  trans-54.3148.4-174.1-72.8-13.2000114.3Y82 L100 K101 Y102 R103 C131 R132N59-Y82 PolarHBondContact O-N 2.77Å; N59-L100 WeakPolarHBondContact CB-O 3.29Å; N59-L100 PolarHBondContact ND2-O 2.86Å; N59-K101 VanDerWaalsContact CG-O 3.3Å; N59-K101 PolarHBondContact ND2-O 2.94Å; N59-Y102 PolarHBondContact ND2-N 3.25Å; N59-R103 PolarHBondContact ND2-N 3.25Å; N59-R103 VanDerWaalsContact ND2-N 3.14Å; N59-R103 PolarHBondContact ND2-O 3.42Å; N59-R103 VanDerWaalsContact ND2-O 3.12Å; N59-C131 CarbonylContact C-O 3.59Å; N59-C131 WeakPolarHBondContact CA-O 3.43Å; N59-C131 WeakPolarHBondContact CB-O 3.27Å; N59-R132 WeakPolarHBondContact OD1-CB 3.39Å
60C96.8Very high89.2Confident0 Ų051.2 Ų51.20%027%0.265CS..EExtended strand (participates in β ladder)trans-67.2139163.4-51.10000109.5C11 S130 C131 N137C11-C60 HydrophobicContact CB-CB 3.6Å; C11-C60 WeakPolarHBondContact CB-SG 3.44Å; C11-C60 WeakPolarHBondContact SG-CA 3.18Å; C11-C60 WeakPolarHBondContact SG-CB 3.46Å; C11-C60 CovalentContact SG-SG 2.01Å; C11-C60 PolarHBondContact SG-SG 3.1Å; C60-S130 CarbonylContact O-C 3.54Å; C60-S130 VanDerWaalsContact O-CA 3.25Å; C60-S130 WeakPolarHBondContact O-CA 3.34Å; C60-C131 PolarHBondContact N-O 3.07Å; C60-C131 PolarHBondContact O-N 3.29Å; C60-N137 HydrophobicContact CB-CB 3.58Å
61I96.9Very high88.7Confident0 Ų051.4 Ų51.40%029%0.289CS..EExtended strand (participates in β ladder)trans-118.8145.3-179.1-58.9-60.6000110.7I63 R79 G80 Y82 I85 F90 L100 V128 C129 N137I61-I63 HydrophobicContact CG2-CD1 4.28Å; I61-I63 HydrophobicContact CG2-CG1 3.88Å; I61-R79 WeakPolarHBondContact O-CA 3.28Å; I61-G80 PolarHBondContact N-O 2.9Å; I61-G80 PolarHBondContact O-N 2.89Å; I61-Y82 HydrophobicContact CD1-CD2 4.2Å; I61-I85 HydrophobicContact CB-CD1 3.46Å; I61-I85 VanDerWaalsContact CB-CD1 3.46Å; I61-I85 HydrophobicContact CG1-CD1 4.17Å; I61-I85 HydrophobicContact CG2-CD1 3.34Å; I61-F90 HydrophobicContact CG1-CZ 4.47Å; I61-F90 HydrophobicContact CG2-CZ 4.34Å; I61-L100 HydrophobicContact CD1-CB 4.2Å; I61-L100 HydrophobicContact CD1-CD2 4.45Å; I61-V128 HydrophobicContact CG2-CG2 4.17Å; I61-C129 CarbonylContact C-O 3.57Å; I61-C129 WeakPolarHBondContact CA-O 3.29Å; I61-N137 PolarHBondContact O-ND2 2.97Å
62L96.2Very high88.1Confident3 Ų363.1 Ų63.12%0.01633%0.333CS..EExtended strand (participates in β ladder)trans-126.2124.6164.3166.363.2000108.4I64 Y77 I78 R79 V128 C129 T140L62-I64 HydrophobicContact CD1-CG1 4.02Å; L62-I64 HydrophobicContact CD2-CD1 4.34Å; L62-I64 HydrophobicContact CD2-CG1 4.42Å; L62-I64 HydrophobicContact CG-CG1 4.13Å; L62-Y77 HydrophobicContact CD1-CD1 4.26Å; L62-I78 CarbonylContact C-O 3.44Å; L62-I78 WeakPolarHBondContact CA-O 3.49Å; L62-R79 HydrophobicContact CD1-CG 3.85Å; L62-V128 CarbonylContact O-C 3.58Å; L62-V128 WeakPolarHBondContact O-CA 3.36Å; L62-C129 HydrophobicContact CB-CB 4.34Å; L62-C129 PolarHBondContact N-O 2.81Å; L62-C129 PolarHBondContact O-N 2.83Å; L62-T140 HydrophobicContact CD2-CG2 4.39Å
63I96Very high87.6Confident0 Ų063.6 Ų63.60%034%0.338CS..EExtended strand (participates in β ladder)trans-115.1131.9169.1-59.9165.5000108.2I61 Y77 I78 I85 F86 M111 V126 L127 V128I61-I63 HydrophobicContact CG2-CD1 4.28Å; I61-I63 HydrophobicContact CG2-CG1 3.88Å; I63-Y77 WeakPolarHBondContact O-CA 3.32Å; I63-I78 HydrophobicContact CB-CB 4.17Å; I63-I78 PolarHBondContact N-O 3.16Å; I63-I78 PolarHBondContact O-N 3.23Å; I63-I85 HydrophobicContact CD1-CD1 4.13Å; I63-I85 HydrophobicContact CD1-CG2 3.98Å; I63-F86 HydrophobicContact CD1-CE2 4.4Å; I63-F86 HydrophobicContact CD1-CZ 4.01Å; I63-M111 HydrophobicContact CG2-CE 4Å; I63-V126 HydrophobicContact CG2-CB 4.01Å; I63-V126 HydrophobicContact CG2-CG1 4.2Å; I63-L127 CarbonylContact C-O 3.45Å; I63-L127 WeakPolarHBondContact CA-O 3.23Å; I63-V128 HydrophobicContact CG1-CB 4.27Å; I63-V128 HydrophobicContact CG1-CG2 3.78Å
64I94.7Very high87.2Confident23 Ų2363.3 Ų63.312%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-118110.8171.7-48.4-176.8000107.8L62 N75 G76 Y77 V126 L127 T140L62-I64 HydrophobicContact CD1-CG1 4.02Å; L62-I64 HydrophobicContact CD2-CD1 4.34Å; L62-I64 HydrophobicContact CD2-CG1 4.42Å; L62-I64 HydrophobicContact CG-CG1 4.13Å; I64-N75 HydrophobicContact CG2-CB 3.84Å; I64-G76 CarbonylContact C-O 3.53Å; I64-G76 WeakPolarHBondContact CA-O 3.27Å; I64-Y77 HydrophobicContact CD1-CD1 4.18Å; I64-Y77 HydrophobicContact CD1-CE1 3.72Å; I64-Y77 HydrophobicContact CG1-CD1 3.92Å; I64-Y77 HydrophobicContact CG1-CE1 3.94Å; I64-Y77 HydrophobicContact CG2-CD1 4.42Å; I64-Y77 HydrophobicContact CG2-CE1 4.11Å; I64-V126 CarbonylContact O-C 3.37Å; I64-V126 VanDerWaalsContact O-CA 3.29Å; I64-V126 WeakPolarHBondContact O-CA 3.49Å; I64-L127 HydrophobicContact CB-CB 4.28Å; I64-L127 HydrophobicContact CD1-CD2 3.9Å; I64-L127 HydrophobicContact CG1-CD2 4.41Å; I64-L127 PolarHBondContact N-O 2.96Å; I64-L127 PolarHBondContact O-N 3.32Å; I64-T140 HydrophobicContact CD1-CG2 4.44Å
65E92.3Very high87Confident18 Ų1865.6 Ų65.68%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-97129.9177.9-178.8172.2-162.300110.5Y19 M67 N75 G76 T124 V126Y19-E65 PolarHBondContact OH-OE2 3.26Å; E65-M67 HydrophobicContact CG-CG 4.31Å; E65-M67 PolarHBondContact O-N 2.91Å; E65-N75 CarbonylContact O-C 3.56Å; E65-N75 WeakPolarHBondContact O-CA 3.27Å; E65-G76 PolarHBondContact N-O 3.39Å; E65-G76 PolarHBondContact O-N 2.92Å; E65-T124 WeakPolarHBondContact OE1-CB 3.37Å; E65-T124 WeakPolarHBondContact OE1-CG2 3.35Å; E65-T124 PolarHBondContact OE1-OG1 3.45Å; E65-V126 HydrophobicContact CB-CG1 4.06Å; E65-V126 HydrophobicContact CG-CG1 4.16Å
66K87.7Confident86.8Confident101 Ų10161.3 Ų61.344%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-81.3104.5172.6-72179.9179.7166.30109.6E125K66-E125 WeakPolarHBondContact CE-OE2 3.38Å; K66-E125 PolarHBondContact N-O 2.8Å; K66-E125 IonicContact NZ-OE2 4Å; K66-E125 PolarHBondContact NZ-OE2 3.48Å
67M82.3Confident86.8Confident19 Ų1963 Ų639%0.09433%0.329CS..EExtended strand (participates in β ladder)trans-90.9130.3178.8-55.5174.7157.600110.5I18 Y19 E65 V69 G73 H74I18-M67 HydrophobicContact CD1-SD 3.91Å; I18-M67 HydrophobicContact CG2-CE 3.8Å; I18-M67 HydrophobicContact CG2-SD 3.65Å; Y19-M67 HydrophobicContact CD1-CE 4.21Å; Y19-M67 HydrophobicContact CD2-CE 4.4Å; Y19-M67 HydrophobicContact CE1-CE 3.47Å; Y19-M67 VanDerWaalsContact CE1-CE 3.47Å; Y19-M67 HydrophobicContact CE2-CE 3.71Å; Y19-M67 VanDerWaalsContact OH-CE 3.29Å; Y19-M67 WeakPolarHBondContact OH-CE 3.35Å; E65-M67 HydrophobicContact CG-CG 4.31Å; E65-M67 PolarHBondContact O-N 2.91Å; M67-V69 VanDerWaalsContact C-N 3.26Å; M67-V69 HydrophobicContact CB-CG2 4.03Å; M67-V69 PolarHBondContact O-N 3.28Å; M67-V69 VanDerWaalsContact O-N 3.1Å; M67-G73 CarbonylContact O-C 3.57Å; M67-G73 VanDerWaalsContact O-CA 3.23Å; M67-G73 WeakPolarHBondContact O-CA 3.43Å; M67-H74 WeakPolarHBondContact CA-O 3.31Å; M67-H74 VanDerWaalsContact CB-O 3.25Å; M67-H74 WeakPolarHBondContact CB-O 3.05Å; M67-H74 PolarHBondContact N-O 3.12Å; M67-H74 PolarHBondContact O-N 3.42Å
68R75.2Confident86.8Confident242 Ų24257.2 Ų57.291%0.91330%0.298SS*.  trans-85.868.6172.2-69.1-172.2167.294.3-2.4110.1
69V69.4Low86.9Confident82 Ų8255.5 Ų55.550%0.49729%0.29SS..  trans-103.2113173.2-174.80000108.6I18 M67 G73I18-V69 HydrophobicContact CD1-CG2 3.93Å; M67-V69 VanDerWaalsContact C-N 3.26Å; M67-V69 HydrophobicContact CB-CG2 4.03Å; M67-V69 PolarHBondContact O-N 3.28Å; M67-V69 VanDerWaalsContact O-N 3.1Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; V69-G73 PolarHBondContact O-N 3.46Å
70G68.9Low86.9Confident67 Ų6755.4 Ų55.469%0.69129%0.291SS*.THydrogen-bonded Turntrans64.6-168.6-177.600000114.4R72G70-R72 VanDerWaalsContact C-N 3.33Å; G70-R72 PolarHBondContact O-N 3Å
71A66.7Low86.9Confident116 Ų11655.4 Ų55.496%0.95929%0.291SS*.THydrogen-bonded Turntrans-68.8-26.5-174.200000114.4
72R73.9Confident86.9Confident250 Ų25055.8 Ų55.894%0.94329%0.292SS*.THydrogen-bonded Turntrans-95.6-17.1-176.1-70.5-174.6176.5164.7-0.1113.9G70G70-R72 VanDerWaalsContact C-N 3.33Å; G70-R72 PolarHBondContact O-N 3Å
73G77.7Confident86.8Confident33 Ų3358.5 Ų58.534%0.3431%0.307SS..  trans63.3166.9-166.800000112.6M67 V69M67-G73 CarbonylContact O-C 3.57Å; M67-G73 VanDerWaalsContact O-CA 3.23Å; M67-G73 WeakPolarHBondContact O-CA 3.43Å; V69-G73 WeakPolarHBondContact O-CA 3.27Å; V69-G73 PolarHBondContact O-N 3.46Å
74H84.7Confident86.8Confident102 Ų10262.8 Ų62.847%0.47233%0.326SS..EExtended strand (participates in β ladder)trans-142.4152175.2-171.476.9000109.7M67M67-H74 WeakPolarHBondContact CA-O 3.31Å; M67-H74 VanDerWaalsContact CB-O 3.25Å; M67-H74 WeakPolarHBondContact CB-O 3.05Å; M67-H74 PolarHBondContact N-O 3.12Å; M67-H74 PolarHBondContact O-N 3.42Å
75N90.4Very high86.9Confident66 Ų6661.7 Ų61.735%0.35332%0.321SS..EExtended strand (participates in β ladder)trans-94120.3174.4-72.8-20.7000109.8I64 E65 Y77I64-N75 HydrophobicContact CG2-CB 3.84Å; E65-N75 CarbonylContact O-C 3.56Å; E65-N75 WeakPolarHBondContact O-CA 3.27Å; N75-Y77 HydrophobicContact CB-CD2 4.43Å; N75-Y77 HydrophobicContact CB-CE2 3.68Å; N75-Y77 VanDerWaalsContact O-CD2 3.27Å; N75-Y77 WeakPolarHBondContact O-CD2 3.36Å; N75-Y77 VanDerWaalsContact O-CE2 3.32Å; N75-Y77 WeakPolarHBondContact O-CE2 3.22Å
76G92.5Very high87.1Confident0 Ų061 Ų610%032%0.318CS..EExtended strand (participates in β ladder)trans-81.8130167.500000110.2I64 E65I64-G76 CarbonylContact C-O 3.53Å; I64-G76 WeakPolarHBondContact CA-O 3.27Å; E65-G76 PolarHBondContact N-O 3.39Å; E65-G76 PolarHBondContact O-N 2.92Å
77Y94.3Very high87.4Confident37 Ų3761.7 Ų61.715%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-107.8135.3177.6-64.9-99.3000109.8M15 S16 A43 L62 I63 I64 N75 T140M15-Y77 CarbonylContact C-O 3.58Å; M15-Y77 VanDerWaalsContact CA-O 3.25Å; M15-Y77 WeakPolarHBondContact CA-O 3.42Å; S16-Y77 PolarHBondContact N-O 3.04Å; S16-Y77 PolarHBondContact OG-N 3.25Å; A43-Y77 HydrophobicContact CB-CD1 4.41Å; A43-Y77 HydrophobicContact CB-CD2 3.69Å; A43-Y77 HydrophobicContact CB-CE1 4.2Å; A43-Y77 HydrophobicContact CB-CE2 3.46Å; A43-Y77 VanDerWaalsContact CB-CE2 3.46Å; A43-Y77 HydrophobicContact CB-CG 4.17Å; L62-Y77 HydrophobicContact CD1-CD1 4.26Å; I63-Y77 WeakPolarHBondContact O-CA 3.32Å; I64-Y77 HydrophobicContact CD1-CD1 4.18Å; I64-Y77 HydrophobicContact CD1-CE1 3.72Å; I64-Y77 HydrophobicContact CG1-CD1 3.92Å; I64-Y77 HydrophobicContact CG1-CE1 3.94Å; I64-Y77 HydrophobicContact CG2-CD1 4.42Å; I64-Y77 HydrophobicContact CG2-CE1 4.11Å; N75-Y77 HydrophobicContact CB-CD2 4.43Å; N75-Y77 HydrophobicContact CB-CE2 3.68Å; N75-Y77 VanDerWaalsContact O-CD2 3.27Å; N75-Y77 WeakPolarHBondContact O-CD2 3.36Å; N75-Y77 VanDerWaalsContact O-CE2 3.32Å; N75-Y77 WeakPolarHBondContact O-CE2 3.22Å; Y77-T140 HydrophobicContact CE1-CG2 4.21Å
78I95.5Very high87.9Confident0 Ų065.6 Ų65.60%034%0.335CS..EExtended strand (participates in β ladder)trans-129.6128.7172.2-57167.3000107.6M15 Y19 Y32 L62 I63 I85M15-I78 HydrophobicContact CE-CG2 3.75Å; M15-I78 HydrophobicContact CG-CB 4.24Å; M15-I78 HydrophobicContact CG-CG1 4.01Å; M15-I78 HydrophobicContact CG-CG2 3.96Å; M15-I78 HydrophobicContact SD-CG1 4.4Å; M15-I78 HydrophobicContact SD-CG2 4.46Å; Y19-I78 HydrophobicContact CD2-CG1 4.42Å; Y19-I78 HydrophobicContact CE1-CD1 4.05Å; Y19-I78 HydrophobicContact CE1-CG1 4.39Å; Y19-I78 HydrophobicContact CE2-CD1 4.26Å; Y19-I78 HydrophobicContact CE2-CG1 3.72Å; Y32-I78 HydrophobicContact CD1-CD1 4.48Å; Y32-I78 HydrophobicContact CE1-CD1 3.71Å; L62-I78 CarbonylContact C-O 3.44Å; L62-I78 WeakPolarHBondContact CA-O 3.49Å; I63-I78 HydrophobicContact CB-CB 4.17Å; I63-I78 PolarHBondContact N-O 3.16Å; I63-I78 PolarHBondContact O-N 3.23Å; I78-I85 HydrophobicContact CG2-CD1 4.33Å; I78-I85 HydrophobicContact CG2-CG1 4.3Å; I78-I85 HydrophobicContact CG2-CG2 4.21Å
79R95.8Very high88.8Confident2 Ų255.2 Ų55.21%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-129.3140.7176.5-61.5-176.2-162.4-100.74.8109.2Y12 S13 C14 C42 A43 I61 L62 N137 G138Y12-R79 CarbonylContact O-C 3.55Å; S13-R79 WeakPolarHBondContact CA-O 3.24Å; C14-R79 PolarHBondContact N-O 3.27Å; C14-R79 VanDerWaalsContact N-O 3.07Å; C14-R79 PolarHBondContact O-N 3.48Å; C42-R79 VanDerWaalsContact O-CZ 3.26Å; C42-R79 PolarHBondContact O-NE 3.46Å; C42-R79 PolarHBondContact O-NH2 2.85Å; A43-R79 PolarHBondContact O-NH2 3.47Å; I61-R79 WeakPolarHBondContact O-CA 3.28Å; L62-R79 HydrophobicContact CD1-CG 3.85Å; R79-N137 WeakPolarHBondContact CD-O 3.3Å; R79-N137 PolarHBondContact NH1-O 3.34Å; R79-G138 PolarHBondContact NH1-O 2.95Å
80G96.3Very high90.1Very high3 Ų351.6 Ų51.63%0.03128%0.281CS..EExtended strand (participates in β ladder)trans176.2-163.1177.200000112.6Y12 I61Y12-G80 WeakPolarHBondContact O-CA 3.16Å; Y12-G80 PolarHBondContact O-N 2.98Å; I61-G80 PolarHBondContact N-O 2.9Å; I61-G80 PolarHBondContact O-N 2.89Å
81C97.3Very high91.3Very high0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-81.9150.8169.1-48.10000110.6T54 C56 D83 Q84 I85T54-C81 WeakPolarHBondContact CG2-SG 3.25Å; C56-C81 WeakPolarHBondContact CA-SG 3.42Å; C56-C81 HydrophobicContact CB-CB 3.62Å; C56-C81 WeakPolarHBondContact CB-SG 3.23Å; C56-C81 WeakPolarHBondContact SG-CA 3.27Å; C56-C81 WeakPolarHBondContact SG-CB 3.07Å; C56-C81 CovalentContact SG-SG 2.01Å; C56-C81 PolarHBondContact SG-SG 3.19Å; C81-D83 PolarHBondContact O-N 3.33Å; C81-Q84 HydrophobicContact CB-CB 3.9Å; C81-Q84 HydrophobicContact CB-CG 4.04Å; C81-Q84 PolarHBondContact O-N 3.15Å; C81-Q84 PolarHBondContact SG-OE1 3.22Å; C81-I85 WeakPolarHBondContact O-CG1 3.39Å; C81-I85 PolarHBondContact O-N 3.12Å
82Y97Very high92.3Very high7 Ų749.7 Ų49.73%0.02724%0.239CC..G310 helixtrans-47.6-42.9164.9179.9-88.1000111.9H58 N59 I61 Q84 F90 D92 A97 L100 K101H58-Y82 HydrophobicContact CB-CD1 4.46Å; N59-Y82 PolarHBondContact O-N 2.77Å; I61-Y82 HydrophobicContact CD1-CD2 4.2Å; Y82-Q84 VanDerWaalsContact C-N 3.29Å; Y82-Q84 PolarHBondContact O-N 3.22Å; Y82-F90 HydrophobicContact CD1-CD2 4.3Å; Y82-F90 AromaticContact CD2-CD2 3.75Å; Y82-F90 HydrophobicContact CD2-CD2 3.75Å; Y82-F90 AromaticContact CD2-CE2 3.91Å; Y82-F90 HydrophobicContact CD2-CE2 3.91Å; Y82-F90 HydrophobicContact CD2-CG 4.11Å; Y82-F90 HydrophobicContact CD2-CZ 4.37Å; Y82-F90 HydrophobicContact CE1-CB 4.27Å; Y82-F90 HydrophobicContact CE1-CD2 4.21Å; Y82-F90 HydrophobicContact CE1-CG 4.5Å; Y82-F90 HydrophobicContact CE2-CB 3.83Å; Y82-F90 HydrophobicContact CE2-CD1 4.06Å; Y82-F90 AromaticContact CE2-CD2 3.67Å; Y82-F90 HydrophobicContact CE2-CD2 3.67Å; Y82-F90 HydrophobicContact CE2-CE2 4.24Å; Y82-F90 AromaticContact CE2-CG 3.58Å; Y82-F90 HydrophobicContact CE2-CG 3.58Å; Y82-F90 HydrophobicContact CG-CD2 4.08Å; Y82-F90 HydrophobicContact CG-CE2 4.25Å; Y82-F90 AromaticContact CZ-CD2 3.92Å; Y82-F90 AromaticContact CZ-CG 3.82Å; Y82-F90 WeakPolarHBondContact O-CD2 3.08Å; Y82-F90 WeakPolarHBondContact O-CE2 3.23Å; Y82-F90 WeakPolarHBondContact OH-CB 3.41Å; Y82-D92 PolarHBondContact OH-OD1 3.12Å; Y82-A97 VanDerWaalsContact CE2-O 3.29Å; Y82-A97 WeakPolarHBondContact CE2-O 3.38Å; Y82-A97 WeakPolarHBondContact OH-CB 3.03Å; Y82-A97 PolarHBondContact OH-O 3.18Å; Y82-L100 HydrophobicContact CD2-CB 4.06Å; Y82-L100 HydrophobicContact CE2-CB 3.99Å; Y82-K101 HydrophobicContact CD1-CB 4.17Å; Y82-K101 HydrophobicContact CD1-CD 4.08Å; Y82-K101 HydrophobicContact CD1-CG 3.76Å; Y82-K101 HydrophobicContact CD2-CB 4.01Å; Y82-K101 HydrophobicContact CD2-CG 4.47Å; Y82-K101 HydrophobicContact CE1-CB 3.9Å; Y82-K101 HydrophobicContact CE1-CD 3.51Å; Y82-K101 HydrophobicContact CE1-CG 3.64Å; Y82-K101 HydrophobicContact CE2-CB 3.7Å; Y82-K101 HydrophobicContact CE2-CG 4.34Å; Y82-K101 HydrophobicContact CG-CB 4.22Å; Y82-K101 HydrophobicContact CG-CG 4.18Å
83D95Very high93Very high61 Ų6143.4 Ų43.433%0.32623%0.234SC..G310 helixtrans-78.2-8.9-177.2-48.2-68.2000114.5H58 C81H58-D83 WeakPolarHBondContact CB-OD2 3.46Å; H58-D83 IonicContact CE1-OD1 3.5Å; H58-D83 PolarHBondContact CE1-OD1 3.14Å; H58-D83 IonicContact CE1-OD2 3.49Å; H58-D83 IonicContact CG-OD1 2.65Å; H58-D83 IonicContact CG-OD2 3.76Å; H58-D83 PolarHBondContact N-OD2 2.89Å; H58-D83 IonicContact ND1-OD1 3.24Å; H58-D83 PolarHBondContact ND1-OD1 2.59Å; H58-D83 IonicContact ND1-OD2 2.74Å; H58-D83 PolarHBondContact ND1-OD2 2.74Å; C81-D83 PolarHBondContact O-N 3.33Å
84Q95.6Very high93.4Very high89 Ų8943.5 Ų43.542%0.41623%0.226SC..G310 helixtrans-129.318.9-166.9-62.3-174.8-12.900114.1L33 T54 C81 Y82L33-Q84 WeakPolarHBondContact CB-O 3.37Å; L33-Q84 HydrophobicContact CD1-CB 4.4Å; T54-Q84 PolarHBondContact OG1-OE1 2.92Å; T54-Q84 VanDerWaalsContact OG1-OE1 3.04Å; C81-Q84 HydrophobicContact CB-CB 3.9Å; C81-Q84 HydrophobicContact CB-CG 4.04Å; C81-Q84 PolarHBondContact O-N 3.15Å; C81-Q84 PolarHBondContact SG-OE1 3.22Å; Y82-Q84 VanDerWaalsContact C-N 3.29Å; Y82-Q84 PolarHBondContact O-N 3.22Å
85I96.4Very high93.8Very high1 Ų144.1 Ų44.11%0.00523%0.232CC..SBendtrans-93.8-61.8174.5-74.8173.1000110.9Y32 L33 I61 I63 I78 C81 F90Y32-I85 CarbonylContact C-O 3.58Å; Y32-I85 VanDerWaalsContact CA-O 3.31Å; Y32-I85 WeakPolarHBondContact CA-O 3.48Å; Y32-I85 HydrophobicContact CD1-CG2 4.15Å; Y32-I85 HydrophobicContact CE1-CG2 4.37Å; L33-I85 PolarHBondContact N-O 2.88Å; I61-I85 HydrophobicContact CB-CD1 3.46Å; I61-I85 VanDerWaalsContact CB-CD1 3.46Å; I61-I85 HydrophobicContact CG1-CD1 4.17Å; I61-I85 HydrophobicContact CG2-CD1 3.34Å; I63-I85 HydrophobicContact CD1-CD1 4.13Å; I63-I85 HydrophobicContact CD1-CG2 3.98Å; I78-I85 HydrophobicContact CG2-CD1 4.33Å; I78-I85 HydrophobicContact CG2-CG1 4.3Å; I78-I85 HydrophobicContact CG2-CG2 4.21Å; C81-I85 WeakPolarHBondContact O-CG1 3.39Å; C81-I85 PolarHBondContact O-N 3.12Å; I85-F90 HydrophobicContact CB-CE2 4.25Å; I85-F90 HydrophobicContact CD1-CZ 4.41Å
86F95.6Very high94Very high3 Ų342.5 Ų42.51%0.01322%0.223CC..BIsolated β-bridgetrans-94136-176.4-60.1-61.6000110.6L31 Y32 I63 H88 G89 F90 M111 L114 I115L31-F86 HydrophobicContact CD1-CD1 4.16Å; L31-F86 HydrophobicContact CG-CD1 4.43Å; L31-F86 WeakPolarHBondContact O-CA 3.45Å; Y32-F86 AromaticContact CD1-CD1 3.83Å; Y32-F86 HydrophobicContact CD1-CD1 3.83Å; Y32-F86 AromaticContact CD1-CE1 3.99Å; Y32-F86 HydrophobicContact CD1-CE1 3.99Å; Y32-F86 AromaticContact CE1-CD1 3.73Å; Y32-F86 HydrophobicContact CE1-CD1 3.73Å; Y32-F86 AromaticContact CE1-CE1 3.4Å; Y32-F86 HydrophobicContact CE1-CE1 3.4Å; Y32-F86 VanDerWaalsContact CE1-CE1 3.4Å; Y32-F86 HydrophobicContact CE1-CZ 4.47Å; I63-F86 HydrophobicContact CD1-CE2 4.4Å; I63-F86 HydrophobicContact CD1-CZ 4.01Å; F86-H88 VanDerWaalsContact C-N 3.25Å; F86-H88 PolarHBondContact O-N 3.25Å; F86-G89 PolarHBondContact O-N 3.01Å; F86-F90 HydrophobicContact CD2-CD1 4.12Å; F86-F90 AromaticContact CD2-CD2 3.89Å; F86-F90 HydrophobicContact CD2-CD2 3.89Å; F86-F90 HydrophobicContact CD2-CE1 4.09Å; F86-F90 AromaticContact CD2-CE2 3.83Å; F86-F90 HydrophobicContact CD2-CE2 3.83Å; F86-F90 HydrophobicContact CD2-CG 4.03Å; F86-F90 AromaticContact CD2-CZ 3.93Å; F86-F90 HydrophobicContact CD2-CZ 3.93Å; F86-F90 AromaticContact CE2-CD1 3.85Å; F86-F90 HydrophobicContact CE2-CD1 3.85Å; F86-F90 HydrophobicContact CE2-CD2 4.33Å; F86-F90 AromaticContact CE2-CE1 3.53Å; F86-F90 HydrophobicContact CE2-CE1 3.53Å; F86-F90 HydrophobicContact CE2-CE2 4.02Å; F86-F90 HydrophobicContact CE2-CG 4.24Å; F86-F90 AromaticContact CE2-CZ 3.61Å; F86-F90 HydrophobicContact CE2-CZ 3.61Å; F86-M111 HydrophobicContact CE1-SD 3.86Å; F86-M111 HydrophobicContact CZ-SD 3.67Å; F86-L114 HydrophobicContact CE2-CB 3.93Å; F86-L114 HydrophobicContact CZ-CB 4.13Å; F86-I115 HydrophobicContact CD1-CG1 3.81Å; F86-I115 HydrophobicContact CD2-CG1 4.48Å; F86-I115 HydrophobicContact CE1-CD1 4.17Å; F86-I115 HydrophobicContact CE1-CG1 3.52Å; F86-I115 HydrophobicContact CE2-CG1 4.25Å; F86-I115 HydrophobicContact CG-CG1 4.28Å; F86-I115 HydrophobicContact CZ-CG1 3.78Å
87R94Very high94.2Very high116 Ų11642.5 Ų42.544%0.43822%0.224SC..THydrogen-bonded Turntrans-60.1-36.3178.5-175.7176.2-66-78.51.6112.6K29 E30 L31K29-R87 VanDerWaalsContact O-CZ 3.31Å; K29-R87 PolarHBondContact O-NE 3.04Å; K29-R87 PolarHBondContact O-NH2 3.49Å; E30-R87 WeakPolarHBondContact O-CD 3.34Å; L31-R87 PolarHBondContact O-N 2.9Å
88H93.5Very high94.1Very high101 Ų10143.5 Ų43.547%0.46824%0.236SC..THydrogen-bonded Turntrans-93.32.7176.9-60.1-73.3000113.5F86 A116F86-H88 VanDerWaalsContact C-N 3.25Å; F86-H88 PolarHBondContact O-N 3.25Å; H88-A116 WeakPolarHBondContact O-CB 3.04Å
89G95.3Very high94.2Very high24 Ų2446.7 Ų46.725%0.24725%0.25CC..  trans79.3173.8-175.500000114.3F86 A116F86-G89 PolarHBondContact O-N 3.01Å; G89-A116 WeakPolarHBondContact O-CB 2.99Å; G89-A116 PolarHBondContact O-N 3.16Å; G89-A116 VanDerWaalsContact O-N 3.08Å
90F95.3Very high94.2Very high6 Ų646.6 Ų46.63%0.02625%0.249CC..BIsolated β-bridgetrans-73.5149.6171.7-78.6-98.4000110.4I61 Y82 I85 F86 D92 A97 L100 L114I61-F90 HydrophobicContact CG1-CZ 4.47Å; I61-F90 HydrophobicContact CG2-CZ 4.34Å; Y82-F90 HydrophobicContact CD1-CD2 4.3Å; Y82-F90 AromaticContact CD2-CD2 3.75Å; Y82-F90 HydrophobicContact CD2-CD2 3.75Å; Y82-F90 AromaticContact CD2-CE2 3.91Å; Y82-F90 HydrophobicContact CD2-CE2 3.91Å; Y82-F90 HydrophobicContact CD2-CG 4.11Å; Y82-F90 HydrophobicContact CD2-CZ 4.37Å; Y82-F90 HydrophobicContact CE1-CB 4.27Å; Y82-F90 HydrophobicContact CE1-CD2 4.21Å; Y82-F90 HydrophobicContact CE1-CG 4.5Å; Y82-F90 HydrophobicContact CE2-CB 3.83Å; Y82-F90 HydrophobicContact CE2-CD1 4.06Å; Y82-F90 AromaticContact CE2-CD2 3.67Å; Y82-F90 HydrophobicContact CE2-CD2 3.67Å; Y82-F90 HydrophobicContact CE2-CE2 4.24Å; Y82-F90 AromaticContact CE2-CG 3.58Å; Y82-F90 HydrophobicContact CE2-CG 3.58Å; Y82-F90 HydrophobicContact CG-CD2 4.08Å; Y82-F90 HydrophobicContact CG-CE2 4.25Å; Y82-F90 AromaticContact CZ-CD2 3.92Å; Y82-F90 AromaticContact CZ-CG 3.82Å; Y82-F90 WeakPolarHBondContact O-CD2 3.08Å; Y82-F90 WeakPolarHBondContact O-CE2 3.23Å; Y82-F90 WeakPolarHBondContact OH-CB 3.41Å; I85-F90 HydrophobicContact CB-CE2 4.25Å; I85-F90 HydrophobicContact CD1-CZ 4.41Å; F86-F90 HydrophobicContact CD2-CD1 4.12Å; F86-F90 AromaticContact CD2-CD2 3.89Å; F86-F90 HydrophobicContact CD2-CD2 3.89Å; F86-F90 HydrophobicContact CD2-CE1 4.09Å; F86-F90 AromaticContact CD2-CE2 3.83Å; F86-F90 HydrophobicContact CD2-CE2 3.83Å; F86-F90 HydrophobicContact CD2-CG 4.03Å; F86-F90 AromaticContact CD2-CZ 3.93Å; F86-F90 HydrophobicContact CD2-CZ 3.93Å; F86-F90 AromaticContact CE2-CD1 3.85Å; F86-F90 HydrophobicContact CE2-CD1 3.85Å; F86-F90 HydrophobicContact CE2-CD2 4.33Å; F86-F90 AromaticContact CE2-CE1 3.53Å; F86-F90 HydrophobicContact CE2-CE1 3.53Å; F86-F90 HydrophobicContact CE2-CE2 4.02Å; F86-F90 HydrophobicContact CE2-CG 4.24Å; F86-F90 AromaticContact CE2-CZ 3.61Å; F86-F90 HydrophobicContact CE2-CZ 3.61Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; F90-A97 HydrophobicContact CB-CB 4.05Å; F90-L100 HydrophobicContact CD1-CD1 4.29Å; F90-L100 HydrophobicContact CE1-CD1 3.92Å; F90-L114 CarbonylContact C-O 3.58Å; F90-L114 WeakPolarHBondContact CA-O 3.34Å; F90-L114 HydrophobicContact CD1-CB 4.28Å; F90-L114 HydrophobicContact CD1-CD2 4.4Å; F90-L114 HydrophobicContact CE1-CB 4.37Å; F90-L114 HydrophobicContact CE1-CD2 4.38Å
91N94.1Very high94.2Very high40 Ų4048.1 Ų48.121%0.21426%0.255CS..  trans-70.188.4175-178.17.4000110.3S93 N94 A97 L114N91-S93 PolarHBondContact O-N 2.81Å; N91-S93 WeakPolarHBondContact OD1-CB 3.12Å; N91-S93 PolarHBondContact OD1-N 3.01Å; N91-N94 HydrophobicContact CB-CB 4.41Å; N91-N94 VanDerWaalsContact O-CB 3.23Å; N91-N94 WeakPolarHBondContact O-CB 3.2Å; N91-N94 PolarHBondContact O-N 3.5Å; N91-A97 WeakPolarHBondContact O-CB 3.19Å; N91-L114 PolarHBondContact N-O 3.39Å
92D88.4Confident94Very high103 Ų10354.5 Ų54.555%0.55128%0.28SS*.THydrogen-bonded Turntrans-61.4-15.7-177.9-76-21.9000113.6Y82 F90 N94Y82-D92 PolarHBondContact OH-OD1 3.12Å; F90-D92 VanDerWaalsContact C-N 3.33Å; F90-D92 PolarHBondContact O-N 3.4Å; D92-N94 PolarHBondContact O-N 3.02Å
93S87.6Confident93.8Very high118 Ų11862.2 Ų62.283%0.82531%0.309SS*.THydrogen-bonded Turntrans-73.2-13.5170.6-57.80000113N91N91-S93 PolarHBondContact O-N 2.81Å; N91-S93 WeakPolarHBondContact OD1-CB 3.12Å; N91-S93 PolarHBondContact OD1-N 3.01Å
94N87.7Confident93.8Very high34 Ų3462.8 Ų62.818%0.18231%0.313CS..SBendtrans-89.6127.8177-168.9-24.5000110.5N91 D92 I96 A97 S98 S113N91-N94 HydrophobicContact CB-CB 4.41Å; N91-N94 VanDerWaalsContact O-CB 3.23Å; N91-N94 WeakPolarHBondContact O-CB 3.2Å; N91-N94 PolarHBondContact O-N 3.5Å; D92-N94 PolarHBondContact O-N 3.02Å; N94-I96 PolarHBondContact O-N 2.97Å; N94-I96 VanDerWaalsContact O-N 3.08Å; N94-I96 WeakPolarHBondContact OD1-CB 3.44Å; N94-I96 WeakPolarHBondContact OD1-CG1 3.34Å; N94-I96 PolarHBondContact OD1-N 3.26Å; N94-A97 HydrophobicContact CB-CB 4.45Å; N94-A97 WeakPolarHBondContact O-CB 3.23Å; N94-A97 PolarHBondContact O-N 3.25Å; N94-S98 PolarHBondContact O-N 3.02Å; N94-S113 PolarHBondContact ND2-O 3.34Å
95L93.2Very high93.8Very high116 Ų11660.6 Ų60.661%0.60730%0.302SS*.Hα-helixtrans-54.4-30.6175-178.763000112.8K99L95-K99 WeakPolarHBondContact O-CG 3.01Å; L95-K99 PolarHBondContact O-N 2.99Å; L95-K99 VanDerWaalsContact O-N 3.15Å
96I94.6Very high93.8Very high31 Ų3162.5 Ų62.516%0.15932%0.315CS..Hα-helixtrans-61.2-45.1174.9-65.7174000110.6N94 K99 L100 F105 T107 T109 L114N94-I96 PolarHBondContact O-N 2.97Å; N94-I96 VanDerWaalsContact O-N 3.08Å; N94-I96 WeakPolarHBondContact OD1-CB 3.44Å; N94-I96 WeakPolarHBondContact OD1-CG1 3.34Å; N94-I96 PolarHBondContact OD1-N 3.26Å; I96-K99 PolarHBondContact O-N 2.65Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.18Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.46Å; I96-L100 PolarHBondContact O-N 3.31Å; I96-F105 HydrophobicContact CG2-CE1 4.3Å; I96-T107 HydrophobicContact CD1-CG2 4.37Å; I96-T107 HydrophobicContact CG2-CG2 4.05Å; I96-T109 HydrophobicContact CD1-CG2 4.44Å; I96-L114 HydrophobicContact CG2-CD2 3.75Å
97A94.9Very high93.7Very high1 Ų164.3 Ų64.31%0.00833%0.326CS..Hα-helixtrans-62.2-46.8-178.700000111.4Y82 F90 N91 N94 K99 L100 K101Y82-A97 VanDerWaalsContact CE2-O 3.29Å; Y82-A97 WeakPolarHBondContact CE2-O 3.38Å; Y82-A97 WeakPolarHBondContact OH-CB 3.03Å; Y82-A97 PolarHBondContact OH-O 3.18Å; F90-A97 HydrophobicContact CB-CB 4.05Å; N91-A97 WeakPolarHBondContact O-CB 3.19Å; N94-A97 HydrophobicContact CB-CB 4.45Å; N94-A97 WeakPolarHBondContact O-CB 3.23Å; N94-A97 PolarHBondContact O-N 3.25Å; A97-K99 VanDerWaalsContact C-N 3.33Å; A97-K99 PolarHBondContact O-N 3.07Å; A97-L100 PolarHBondContact O-N 3.12Å; A97-L100 VanDerWaalsContact O-N 3.15Å; A97-K101 WeakPolarHBondContact O-CB 3.49Å; A97-K101 PolarHBondContact O-N 3.08Å
98S94.1Very high93.8Very high58 Ų5865 Ų6541%0.40633%0.328SS..Hα-helixtrans-57.5-43.1174.8-179.50000112.8N94 K101 Y102N94-S98 PolarHBondContact O-N 3.02Å; S98-K101 PolarHBondContact O-N 3.34Å; S98-Y102 WeakPolarHBondContact O-CD2 3.48Å; S98-Y102 PolarHBondContact O-N 2.87Å
99K96.2Very high93.8Very high66 Ų6661.1 Ų61.129%0.28731%0.312SS..Hα-helixtrans-64.6-44.1175.4-72.5178.5179.7177.80111.8L95 I96 A97 K101 Y102 R103 F105L95-K99 WeakPolarHBondContact O-CG 3.01Å; L95-K99 PolarHBondContact O-N 2.99Å; L95-K99 VanDerWaalsContact O-N 3.15Å; I96-K99 PolarHBondContact O-N 2.65Å; A97-K99 VanDerWaalsContact C-N 3.33Å; A97-K99 PolarHBondContact O-N 3.07Å; K99-K101 VanDerWaalsContact C-N 3.29Å; K99-K101 PolarHBondContact O-N 2.85Å; K99-Y102 PolarHBondContact O-N 2.93Å; K99-R103 WeakPolarHBondContact O-CA 3.02Å; K99-R103 WeakPolarHBondContact O-CB 3.41Å; K99-R103 PolarHBondContact O-N 3.45Å; K99-F105 HydrophobicContact CB-CB 4.29Å; K99-F105 HydrophobicContact CB-CD1 3.6Å; K99-F105 HydrophobicContact CB-CD2 4.42Å; K99-F105 HydrophobicContact CB-CE1 3.96Å; K99-F105 HydrophobicContact CB-CG 3.85Å; K99-F105 HydrophobicContact CD-CD1 4.32Å; K99-F105 HydrophobicContact CD-CD2 4.13Å; K99-F105 HydrophobicContact CD-CE1 4.02Å; K99-F105 HydrophobicContact CD-CE2 3.84Å; K99-F105 HydrophobicContact CD-CG 4.37Å; K99-F105 HydrophobicContact CD-CZ 3.78Å
100L96.2Very high93.7Very high0 Ų064.2 Ų64.20%032%0.321CS..Hα-helixtrans-61.4-38.7178.2-71.4172000112.1N59 I61 Y82 F90 I96 A97 F105 L114 V128 S130N59-L100 WeakPolarHBondContact CB-O 3.29Å; N59-L100 PolarHBondContact ND2-O 2.86Å; I61-L100 HydrophobicContact CD1-CB 4.2Å; I61-L100 HydrophobicContact CD1-CD2 4.45Å; Y82-L100 HydrophobicContact CD2-CB 4.06Å; Y82-L100 HydrophobicContact CE2-CB 3.99Å; F90-L100 HydrophobicContact CD1-CD1 4.29Å; F90-L100 HydrophobicContact CE1-CD1 3.92Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.18Å; I96-L100 VanDerWaalsContact O-CG 3.27Å; I96-L100 WeakPolarHBondContact O-CG 3.46Å; I96-L100 PolarHBondContact O-N 3.31Å; A97-L100 PolarHBondContact O-N 3.12Å; A97-L100 VanDerWaalsContact O-N 3.15Å; L100-F105 HydrophobicContact CD2-CD1 3.98Å; L100-F105 HydrophobicContact CG-CD1 4.24Å; L100-L114 HydrophobicContact CD1-CD2 3.98Å; L100-V128 HydrophobicContact CD1-CB 4.43Å; L100-V128 HydrophobicContact CD1-CG1 3.98Å; L100-V128 HydrophobicContact CD1-CG2 3.57Å; L100-V128 HydrophobicContact CD2-CG1 4.23Å; L100-V128 HydrophobicContact CD2-CG2 3.72Å; L100-V128 HydrophobicContact CG-CG2 4.31Å; L100-S130 WeakPolarHBondContact CA-OG 3.34Å; L100-S130 WeakPolarHBondContact O-CB 3.46Å; L100-S130 PolarHBondContact O-OG 2.74Å
101K96Very high93.5Very high36 Ų3664 Ų6416%0.15732%0.32CS..Hα-helixtrans-64.6-40.1-178.6-165.8170.1-177.1-179.50113.5H58 N59 Y82 A97 S98 K99H58-K101 HydrophobicContact CB-CG 4.13Å; H58-K101 WeakPolarHBondContact CE1-CE 3.4Å; H58-K101 WeakPolarHBondContact NE2-CE 3.34Å; N59-K101 VanDerWaalsContact CG-O 3.3Å; N59-K101 PolarHBondContact ND2-O 2.94Å; Y82-K101 HydrophobicContact CD1-CB 4.17Å; Y82-K101 HydrophobicContact CD1-CD 4.08Å; Y82-K101 HydrophobicContact CD1-CG 3.76Å; Y82-K101 HydrophobicContact CD2-CB 4.01Å; Y82-K101 HydrophobicContact CD2-CG 4.47Å; Y82-K101 HydrophobicContact CE1-CB 3.9Å; Y82-K101 HydrophobicContact CE1-CD 3.51Å; Y82-K101 HydrophobicContact CE1-CG 3.64Å; Y82-K101 HydrophobicContact CE2-CB 3.7Å; Y82-K101 HydrophobicContact CE2-CG 4.34Å; Y82-K101 HydrophobicContact CG-CB 4.22Å; Y82-K101 HydrophobicContact CG-CG 4.18Å; A97-K101 WeakPolarHBondContact O-CB 3.49Å; A97-K101 PolarHBondContact O-N 3.08Å; S98-K101 PolarHBondContact O-N 3.34Å; K99-K101 VanDerWaalsContact C-N 3.29Å; K99-K101 PolarHBondContact O-N 2.85Å
102Y93.4Very high93.4Very high134 Ų13462.9 Ų62.953%0.52532%0.316SS..Hα-helixtrans-122.9-8.2-165.7-59.5-60.5000115.9H58 N59 S98 K99H58-Y102 AromaticContact CD2-CE1 3.65Å; H58-Y102 AromaticContact NE2-CE1 3.87Å; N59-Y102 PolarHBondContact ND2-N 3.25Å; S98-Y102 WeakPolarHBondContact O-CD2 3.48Å; S98-Y102 PolarHBondContact O-N 2.87Å; K99-Y102 PolarHBondContact O-N 2.93Å
103R93.6Very high93.5Very high168 Ų16859.7 Ų59.763%0.63430%0.301SS*.SBendtrans-130.9153.2-175.6-57.6-173.4-179.7-173.50.5112N59 K99 F105 S130N59-R103 PolarHBondContact ND2-N 3.25Å; N59-R103 VanDerWaalsContact ND2-N 3.14Å; N59-R103 PolarHBondContact ND2-O 3.42Å; N59-R103 VanDerWaalsContact ND2-O 3.12Å; K99-R103 WeakPolarHBondContact O-CA 3.02Å; K99-R103 WeakPolarHBondContact O-CB 3.41Å; K99-R103 PolarHBondContact O-N 3.45Å; R103-F105 PolarHBondContact O-N 3.44Å; R103-F105 VanDerWaalsContact O-N 3.12Å; R103-S130 PolarHBondContact O-OG 2.9Å
104D94.4Very high93.8Very high74 Ų7454.1 Ų54.140%0.39626%0.262SS..  trans-68.9105.1163.5-70.68.1000108.7S130 C131 R132 K146D104-S130 WeakPolarHBondContact CA-O 3.27Å; D104-C131 VanDerWaalsContact OD1-CA 3.27Å; D104-C131 WeakPolarHBondContact OD1-CA 3.32Å; D104-R132 PolarHBondContact OD1-N 2.05Å; D104-K146 PolarHBondContact O-NZ 2.94Å
105F94.5Very high94Very high42 Ų4252.5 Ų52.518%0.18425%0.254CS..EExtended strand (participates in β ladder)trans-146139.6-167.9-179.3-116.4000110.3I96 K99 L100 R103 T107 C129 S130I96-F105 HydrophobicContact CG2-CE1 4.3Å; K99-F105 HydrophobicContact CB-CB 4.29Å; K99-F105 HydrophobicContact CB-CD1 3.6Å; K99-F105 HydrophobicContact CB-CD2 4.42Å; K99-F105 HydrophobicContact CB-CE1 3.96Å; K99-F105 HydrophobicContact CB-CG 3.85Å; K99-F105 HydrophobicContact CD-CD1 4.32Å; K99-F105 HydrophobicContact CD-CD2 4.13Å; K99-F105 HydrophobicContact CD-CE1 4.02Å; K99-F105 HydrophobicContact CD-CE2 3.84Å; K99-F105 HydrophobicContact CD-CG 4.37Å; K99-F105 HydrophobicContact CD-CZ 3.78Å; L100-F105 HydrophobicContact CD2-CD1 3.98Å; L100-F105 HydrophobicContact CG-CD1 4.24Å; R103-F105 PolarHBondContact O-N 3.44Å; R103-F105 VanDerWaalsContact O-N 3.12Å; F105-T107 HydrophobicContact CD1-CG2 4.43Å; F105-T107 HydrophobicContact CE1-CG2 3.48Å; F105-T107 VanDerWaalsContact CE1-CG2 3.48Å; F105-T107 HydrophobicContact CZ-CG2 3.78Å; F105-C129 CarbonylContact O-C 3.44Å; F105-C129 VanDerWaalsContact O-CA 3.22Å; F105-C129 WeakPolarHBondContact O-CA 2.95Å; F105-S130 PolarHBondContact N-O 3.04Å; F105-S130 PolarHBondContact N-OG 2.6Å; F105-S130 PolarHBondContact O-N 2.82Å; F105-S130 PolarHBondContact O-OG 2.8Å
106C96.3Very high93.9Very high42 Ų4249.2 Ų49.228%0.28424%0.243SC..EExtended strand (participates in β ladder)trans-136.8134.2175.4-77.30000108.7V128 C129C106-V128 CarbonylContact C-O 3.57Å; C106-V128 VanDerWaalsContact CA-O 3.31Å; C106-V128 WeakPolarHBondContact CA-O 3.42Å; C106-C129 HydrophobicContact CB-CB 4.21Å; C106-C129 WeakPolarHBondContact CB-SG 3Å; C106-C129 WeakPolarHBondContact SG-CB 3.3Å; C106-C129 CovalentContact SG-SG 2.05Å; C106-C129 PolarHBondContact SG-SG 2.98Å
107T95.6Very high93.4Very high41 Ų4150 Ų5025%0.25224%0.244SC..EExtended strand (participates in β ladder)trans-154.4159.2177-163.70000111.8I96 F105 V128I96-T107 HydrophobicContact CD1-CG2 4.37Å; I96-T107 HydrophobicContact CG2-CG2 4.05Å; F105-T107 HydrophobicContact CD1-CG2 4.43Å; F105-T107 HydrophobicContact CE1-CG2 3.48Å; F105-T107 VanDerWaalsContact CE1-CG2 3.48Å; F105-T107 HydrophobicContact CZ-CG2 3.78Å; T107-V128 HydrophobicContact CG2-CG1 3.92Å; T107-V128 PolarHBondContact N-O 3.41Å; T107-V128 PolarHBondContact O-N 2.8Å
108R95.2Very high92.5Very high129 Ų12961.9 Ų61.949%0.48729%0.289SS..EExtended strand (participates in β ladder)trans-93.1137166.3-68.4-176-177.1-75.9-5.1108.7V126 L127R108-V126 VanDerWaalsContact CA-O 3.27Å; R108-V126 WeakPolarHBondContact CA-O 3.21Å; R108-L127 HydrophobicContact CG-CD1 4.18Å
109T94.1Very high91.8Very high20 Ų2063.8 Ų63.812%0.12329%0.294CS..EExtended strand (participates in β ladder)trans-154.8178.5177.4-167.90000109.6I96 L114 V126 V128I96-T109 HydrophobicContact CD1-CG2 4.44Å; T109-L114 HydrophobicContact CG2-CD1 3.95Å; T109-L114 HydrophobicContact CG2-CD2 3.81Å; T109-L114 HydrophobicContact CG2-CG 3.79Å; T109-V126 HydrophobicContact CG2-CG2 3.9Å; T109-V126 PolarHBondContact N-O 2.89Å; T109-V126 WeakPolarHBondContact O-CG2 3.29Å; T109-V126 PolarHBondContact O-N 3.31Å; T109-V128 HydrophobicContact CG2-CG1 3.99Å
110M92.4Very high90.8Very high89 Ų8965.1 Ų65.144%0.43830%0.3SS..EExtended strand (participates in β ladder)trans-85.7134.9171.9-75.3-46.3-17600110.4S112 S113 D123M110-S112 PolarHBondContact O-N 3.18Å; M110-S113 VanDerWaalsContact O-CB 3.3Å; M110-S113 WeakPolarHBondContact O-CB 3.4Å; M110-S113 PolarHBondContact O-N 3.06Å; M110-D123 VanDerWaalsContact CB-OD1 3.27Å; M110-D123 WeakPolarHBondContact CB-OD1 3.44Å; M110-D123 VanDerWaalsContact CB-OD2 3.24Å; M110-D123 WeakPolarHBondContact CB-OD2 3.5Å; M110-D123 WeakPolarHBondContact CG-OD2 3.27Å
111M91.7Very high89.6Confident2 Ų267 Ų671%0.0131%0.313CS..Hα-helixtrans-54.5-39.9177.7-178.959.190.200111.1Y32 I63 F86 S113 L114 I115 D123 T124 V126Y32-M111 VanDerWaalsContact OH-CE 3.29Å; Y32-M111 WeakPolarHBondContact OH-CE 3.45Å; I63-M111 HydrophobicContact CG2-CE 4Å; F86-M111 HydrophobicContact CE1-SD 3.86Å; F86-M111 HydrophobicContact CZ-SD 3.67Å; M111-S113 PolarHBondContact O-N 3.03Å; M111-S113 VanDerWaalsContact O-N 3.12Å; M111-L114 PolarHBondContact O-N 3.13Å; M111-I115 HydrophobicContact CG-CD1 3.76Å; M111-I115 HydrophobicContact SD-CD1 4.09Å; M111-I115 HydrophobicContact SD-CG1 4.36Å; M111-D123 PolarHBondContact N-OD1 2.78Å; M111-D123 VanDerWaalsContact N-OD1 3.15Å; M111-T124 PolarHBondContact N-O 2.01Å; M111-V126 HydrophobicContact CB-CG1 3.96Å; M111-V126 HydrophobicContact CE-CG1 3.76Å; M111-V126 HydrophobicContact SD-CG1 4.44Å
112S90.6Very high88.6Confident16 Ų1671 Ų7111%0.11234%0.342CS..Hα-helixtrans-56.4-29.6176.279.40000112.9M110 L114 K120 D123M110-S112 PolarHBondContact O-N 3.18Å; S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 3.11Å; S112-K120 VanDerWaalsContact O-CD 3.23Å; S112-K120 WeakPolarHBondContact O-CD 2.98Å; S112-K120 VanDerWaalsContact O-CE 3.24Å; S112-K120 WeakPolarHBondContact O-CE 3.37Å; S112-K120 PolarHBondContact O-NZ 3.21Å; S112-D123 WeakPolarHBondContact CB-OD1 3.46Å; S112-D123 VanDerWaalsContact CB-OD2 3.32Å; S112-D123 WeakPolarHBondContact CB-OD2 3.35Å; S112-D123 PolarHBondContact N-OD1 2.91Å; S112-D123 PolarHBondContact OG-OD1 2.88Å; S112-D123 VanDerWaalsContact OG-OD1 3.14Å; S112-D123 PolarHBondContact OG-OD2 3.37Å
113S91.2Very high88.1Confident36 Ų3668.2 Ų68.225%0.25234%0.336SS..Hα-helixtrans-78.2-18.3-178.4-65.20000113N94 M110 M111N94-S113 PolarHBondContact ND2-O 3.34Å; M110-S113 VanDerWaalsContact O-CB 3.3Å; M110-S113 WeakPolarHBondContact O-CB 3.4Å; M110-S113 PolarHBondContact O-N 3.06Å; M111-S113 PolarHBondContact O-N 3.03Å; M111-S113 VanDerWaalsContact O-N 3.12Å
114L93.5Very high87.9Confident1 Ų161.7 Ų61.71%0.00532%0.315CS..Hα-helixtrans-89.2-29.1-178.1-64.1179.3000113.4F86 F90 N91 I96 L100 T109 M111 S112 V126 V128F86-L114 HydrophobicContact CE2-CB 3.93Å; F86-L114 HydrophobicContact CZ-CB 4.13Å; F90-L114 CarbonylContact C-O 3.58Å; F90-L114 WeakPolarHBondContact CA-O 3.34Å; F90-L114 HydrophobicContact CD1-CB 4.28Å; F90-L114 HydrophobicContact CD1-CD2 4.4Å; F90-L114 HydrophobicContact CE1-CB 4.37Å; F90-L114 HydrophobicContact CE1-CD2 4.38Å; N91-L114 PolarHBondContact N-O 3.39Å; I96-L114 HydrophobicContact CG2-CD2 3.75Å; L100-L114 HydrophobicContact CD1-CD2 3.98Å; T109-L114 HydrophobicContact CG2-CD1 3.95Å; T109-L114 HydrophobicContact CG2-CD2 3.81Å; T109-L114 HydrophobicContact CG2-CG 3.79Å; M111-L114 PolarHBondContact O-N 3.13Å; S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 3.11Å; L114-V126 HydrophobicContact CD1-CG2 3.81Å; L114-V128 HydrophobicContact CD1-CB 4.13Å; L114-V128 HydrophobicContact CD1-CG1 4.17Å; L114-V128 HydrophobicContact CD1-CG2 4.29Å; L114-V128 HydrophobicContact CD2-CG1 4.29Å
115I92.5Very high87.8Confident1 Ų161.8 Ų61.81%0.00531%0.313CS..BIsolated β-bridgetrans-91.8131.4-168.6-53.9154.2000110.9L31 F86 M111 R117 P121L31-I115 HydrophobicContact CD1-CB 4.48Å; L31-I115 HydrophobicContact CD1-CD1 3.58Å; L31-I115 HydrophobicContact CD1-CG1 3.98Å; L31-I115 HydrophobicContact CD1-CG2 3.67Å; L31-I115 HydrophobicContact CD2-CD1 4.25Å; L31-I115 HydrophobicContact CG-CD1 4.49Å; F86-I115 HydrophobicContact CD1-CG1 3.81Å; F86-I115 HydrophobicContact CD2-CG1 4.48Å; F86-I115 HydrophobicContact CE1-CD1 4.17Å; F86-I115 HydrophobicContact CE1-CG1 3.52Å; F86-I115 HydrophobicContact CE2-CG1 4.25Å; F86-I115 HydrophobicContact CG-CG1 4.28Å; F86-I115 HydrophobicContact CZ-CG1 3.78Å; M111-I115 HydrophobicContact CG-CD1 3.76Å; M111-I115 HydrophobicContact SD-CD1 4.09Å; M111-I115 HydrophobicContact SD-CG1 4.36Å; I115-R117 HydrophobicContact CG2-CB 3.62Å; I115-R117 PolarHBondContact O-N 3.25Å; I115-P121 HydrophobicContact CD1-CG 3.85Å
116A90.4Very high87.8Confident46 Ų4659.9 Ų59.938%0.3831%0.305SS..  trans-80.547.3173.200000113.1H88 G89H88-A116 WeakPolarHBondContact O-CB 3.04Å; G89-A116 WeakPolarHBondContact O-CB 2.99Å; G89-A116 PolarHBondContact O-N 3.16Å; G89-A116 VanDerWaalsContact O-N 3.08Å
117R85.2Confident87.7Confident49 Ų4958.7 Ų58.719%0.18530%0.295CS..  trans-122.2142.7179-175.9173.2175.4-173.4-5.6109.7I115 D119 K120I115-R117 HydrophobicContact CG2-CB 3.62Å; I115-R117 PolarHBondContact O-N 3.25Å; R117-D119 WeakPolarHBondContact CD-O 3.46Å; R117-D119 WeakPolarHBondContact CD-OD1 3.49Å; R117-D119 WeakPolarHBondContact CG-OD1 3.31Å; R117-D119 IonicContact CZ-OD1 2.85Å; R117-D119 IonicContact CZ-OD2 3.07Å; R117-D119 VanDerWaalsContact CZ-OD2 3.24Å; R117-D119 PolarHBondContact NE-O 3.2Å; R117-D119 IonicContact NE-OD1 2.82Å; R117-D119 PolarHBondContact NE-OD1 3.2Å; R117-D119 IonicContact NE-OD2 3.94Å; R117-D119 PolarHBondContact NE-OD2 2.94Å; R117-D119 VanDerWaalsContact NE-OD2 3.07Å; R117-D119 IonicContact NH2-OD1 2.74Å; R117-D119 IonicContact NH2-OD2 3.81Å; R117-D119 PolarHBondContact NH2-OD2 2.01Å; R117-K120 WeakPolarHBondContact O-CE 3.43Å; R117-K120 VanDerWaalsContact O-CG 3.23Å; R117-K120 WeakPolarHBondContact O-CG 3.33Å
118R76.3Confident87.8Confident250 Ų25056.7 Ų56.794%0.94328%0.284SS*.SBendtrans-77.2-47-178.7-73.1-174.6-177.9-107.51.9111.7K120R118-K120 PolarHBondContact O-N 2.79Å
119D79Confident87.8Confident98 Ų9850.7 Ų50.752%0.52426%0.261SS..SBendtrans-84.584.6173.855.4-35.7000109.4R117R117-D119 WeakPolarHBondContact CD-O 3.46Å; R117-D119 WeakPolarHBondContact CD-OD1 3.49Å; R117-D119 WeakPolarHBondContact CG-OD1 3.31Å; R117-D119 IonicContact CZ-OD1 2.85Å; R117-D119 IonicContact CZ-OD2 3.07Å; R117-D119 VanDerWaalsContact CZ-OD2 3.24Å; R117-D119 PolarHBondContact NE-O 3.2Å; R117-D119 IonicContact NE-OD1 2.82Å; R117-D119 PolarHBondContact NE-OD1 3.2Å; R117-D119 IonicContact NE-OD2 3.94Å; R117-D119 PolarHBondContact NE-OD2 2.94Å; R117-D119 VanDerWaalsContact NE-OD2 3.07Å; R117-D119 IonicContact NH2-OD1 2.74Å; R117-D119 IonicContact NH2-OD2 3.81Å; R117-D119 PolarHBondContact NH2-OD2 2.01Å
120K74Confident87.9Confident93 Ų9349.8 Ų49.840%0.40426%0.255SS..PPolyproline II helixtrans-79.2141.2-174.4-59.9-178.2-179.8-169.90110.3S112 R117 R118S112-K120 VanDerWaalsContact O-CD 3.23Å; S112-K120 WeakPolarHBondContact O-CD 2.98Å; S112-K120 VanDerWaalsContact O-CE 3.24Å; S112-K120 WeakPolarHBondContact O-CE 3.37Å; S112-K120 PolarHBondContact O-NZ 3.21Å; R117-K120 WeakPolarHBondContact O-CE 3.43Å; R117-K120 VanDerWaalsContact O-CG 3.23Å; R117-K120 WeakPolarHBondContact O-CG 3.33Å; R118-K120 PolarHBondContact O-N 2.79Å
121P71.7Confident88.1Confident41 Ų4145.7 Ų45.727%0.26624%0.236SC..PPolyproline II helixtrans-60.2163.8171.929.7-37.2000110.6L31 I115 D123L31-P121 HydrophobicContact CD2-CG 3.95Å; I115-P121 HydrophobicContact CD1-CG 3.85Å; P121-D123 PolarHBondContact O-N 2.96Å
122P74.9Confident88.1Confident119 Ų11953.2 Ų53.277%0.77326%0.264SS*.SBendtrans-46.4129.7170.7-27.334.8000110.9T124P122-T124 PolarHBondContact O-N 2.01Å
123D84Confident88.2Confident75 Ų7558 Ų5840%0.40129%0.288SS..PPolyproline II helixtrans-78.2125.9-167.9-156.16.7000111.6M110 M111 S112 P121M110-D123 VanDerWaalsContact CB-OD1 3.27Å; M110-D123 WeakPolarHBondContact CB-OD1 3.44Å; M110-D123 VanDerWaalsContact CB-OD2 3.24Å; M110-D123 WeakPolarHBondContact CB-OD2 3.5Å; M110-D123 WeakPolarHBondContact CG-OD2 3.27Å; M111-D123 PolarHBondContact N-OD1 2.78Å; M111-D123 VanDerWaalsContact N-OD1 3.15Å; S112-D123 WeakPolarHBondContact CB-OD1 3.46Å; S112-D123 VanDerWaalsContact CB-OD2 3.32Å; S112-D123 WeakPolarHBondContact CB-OD2 3.35Å; S112-D123 PolarHBondContact N-OD1 2.91Å; S112-D123 PolarHBondContact OG-OD1 2.88Å; S112-D123 VanDerWaalsContact OG-OD1 3.14Å; S112-D123 PolarHBondContact OG-OD2 3.37Å; P121-D123 PolarHBondContact O-N 2.96Å
124T88.6Confident88.2Confident31 Ų3161 Ų6119%0.1931%0.305CS..  trans-121.3145.1-179.957.90000110.5E65 M111 P122 V126E65-T124 WeakPolarHBondContact OE1-CB 3.37Å; E65-T124 WeakPolarHBondContact OE1-CG2 3.35Å; E65-T124 PolarHBondContact OE1-OG1 3.45Å; M111-T124 PolarHBondContact N-O 2.01Å; P122-T124 PolarHBondContact O-N 2.01Å; T124-V126 PolarHBondContact O-N 2.95Å
125E91.9Very high88.1Confident77 Ų7762.8 Ų62.836%0.3632%0.315SS..EExtended strand (participates in β ladder)trans-72.4128.5172.6-171.9-168-138.500109.5K66K66-E125 WeakPolarHBondContact CE-OE2 3.38Å; K66-E125 PolarHBondContact N-O 2.8Å; K66-E125 IonicContact NZ-OE2 4Å; K66-E125 PolarHBondContact NZ-OE2 3.48Å
126V94.4Very high88.2Confident1 Ų164 Ų641%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-125.2146.2178.1-57.20000110.9I63 I64 E65 R108 T109 M111 L114 T124I63-V126 HydrophobicContact CG2-CB 4.01Å; I63-V126 HydrophobicContact CG2-CG1 4.2Å; I64-V126 CarbonylContact O-C 3.37Å; I64-V126 VanDerWaalsContact O-CA 3.29Å; I64-V126 WeakPolarHBondContact O-CA 3.49Å; E65-V126 HydrophobicContact CB-CG1 4.06Å; E65-V126 HydrophobicContact CG-CG1 4.16Å; R108-V126 VanDerWaalsContact CA-O 3.27Å; R108-V126 WeakPolarHBondContact CA-O 3.21Å; T109-V126 HydrophobicContact CG2-CG2 3.9Å; T109-V126 PolarHBondContact N-O 2.89Å; T109-V126 WeakPolarHBondContact O-CG2 3.29Å; T109-V126 PolarHBondContact O-N 3.31Å; M111-V126 HydrophobicContact CB-CG1 3.96Å; M111-V126 HydrophobicContact CE-CG1 3.76Å; M111-V126 HydrophobicContact SD-CG1 4.44Å; L114-V126 HydrophobicContact CD1-CG2 3.81Å; T124-V126 PolarHBondContact O-N 2.95Å
127L95.4Very high88.3Confident17 Ų1761.9 Ų61.99%0.08931%0.305CS..EExtended strand (participates in β ladder)trans-91.7123.6157.5174.377.2000107.5I63 I64 R108I63-L127 CarbonylContact C-O 3.45Å; I63-L127 WeakPolarHBondContact CA-O 3.23Å; I64-L127 HydrophobicContact CB-CB 4.28Å; I64-L127 HydrophobicContact CD1-CD2 3.9Å; I64-L127 HydrophobicContact CG1-CD2 4.41Å; I64-L127 PolarHBondContact N-O 2.96Å; I64-L127 PolarHBondContact O-N 3.32Å; R108-L127 HydrophobicContact CG-CD1 4.18Å
128V96.1Very high88.6Confident0 Ų059.9 Ų59.90%030%0.3CS..EExtended strand (participates in β ladder)trans-118.7132.1174.462.30000110.1I61 L62 I63 L100 C106 T107 T109 L114I61-V128 HydrophobicContact CG2-CG2 4.17Å; L62-V128 CarbonylContact O-C 3.58Å; L62-V128 WeakPolarHBondContact O-CA 3.36Å; I63-V128 HydrophobicContact CG1-CB 4.27Å; I63-V128 HydrophobicContact CG1-CG2 3.78Å; L100-V128 HydrophobicContact CD1-CB 4.43Å; L100-V128 HydrophobicContact CD1-CG1 3.98Å; L100-V128 HydrophobicContact CD1-CG2 3.57Å; L100-V128 HydrophobicContact CD2-CG1 4.23Å; L100-V128 HydrophobicContact CD2-CG2 3.72Å; L100-V128 HydrophobicContact CG-CG2 4.31Å; C106-V128 CarbonylContact C-O 3.57Å; C106-V128 VanDerWaalsContact CA-O 3.31Å; C106-V128 WeakPolarHBondContact CA-O 3.42Å; T107-V128 HydrophobicContact CG2-CG1 3.92Å; T107-V128 PolarHBondContact N-O 3.41Å; T107-V128 PolarHBondContact O-N 2.8Å; T109-V128 HydrophobicContact CG2-CG1 3.99Å; L114-V128 HydrophobicContact CD1-CB 4.13Å; L114-V128 HydrophobicContact CD1-CG1 4.17Å; L114-V128 HydrophobicContact CD1-CG2 4.29Å; L114-V128 HydrophobicContact CD2-CG1 4.29Å
129C97Very high88.5Confident3 Ų350.6 Ų50.62%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-130.7145.1-179.4-77.80000110.8I61 L62 F105 C106 L142I61-C129 CarbonylContact C-O 3.57Å; I61-C129 WeakPolarHBondContact CA-O 3.29Å; L62-C129 HydrophobicContact CB-CB 4.34Å; L62-C129 PolarHBondContact N-O 2.81Å; L62-C129 PolarHBondContact O-N 2.83Å; F105-C129 CarbonylContact O-C 3.44Å; F105-C129 VanDerWaalsContact O-CA 3.22Å; F105-C129 WeakPolarHBondContact O-CA 2.95Å; C106-C129 HydrophobicContact CB-CB 4.21Å; C106-C129 WeakPolarHBondContact CB-SG 3Å; C106-C129 WeakPolarHBondContact SG-CB 3.3Å; C106-C129 CovalentContact SG-SG 2.05Å; C106-C129 PolarHBondContact SG-SG 2.98Å; C129-L142 HydrophobicContact CB-CD1 4.37Å
130S96.2Very high87.9Confident0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-128.2148.3174.355.30000111.4C60 L100 R103 D104 F105C60-S130 CarbonylContact O-C 3.54Å; C60-S130 VanDerWaalsContact O-CA 3.25Å; C60-S130 WeakPolarHBondContact O-CA 3.34Å; L100-S130 WeakPolarHBondContact CA-OG 3.34Å; L100-S130 WeakPolarHBondContact O-CB 3.46Å; L100-S130 PolarHBondContact O-OG 2.74Å; R103-S130 PolarHBondContact O-OG 2.9Å; D104-S130 WeakPolarHBondContact CA-O 3.27Å; F105-S130 PolarHBondContact N-O 3.04Å; F105-S130 PolarHBondContact N-OG 2.6Å; F105-S130 PolarHBondContact O-N 2.82Å; F105-S130 PolarHBondContact O-OG 2.8Å
131C95.7Very high87.1Confident3 Ų353.8 Ų53.82%0.0228%0.283CS..EExtended strand (participates in β ladder)trans-157.1160171.956.50000111.2N59 C60 D104 C136 N137 L142N59-C131 CarbonylContact C-O 3.59Å; N59-C131 WeakPolarHBondContact CA-O 3.43Å; N59-C131 WeakPolarHBondContact CB-O 3.27Å; C60-C131 PolarHBondContact N-O 3.07Å; C60-C131 PolarHBondContact O-N 3.29Å; D104-C131 VanDerWaalsContact OD1-CA 3.27Å; D104-C131 WeakPolarHBondContact OD1-CA 3.32Å; C131-C136 HydrophobicContact CB-CB 3.79Å; C131-C136 WeakPolarHBondContact CB-SG 3.27Å; C131-C136 PolarHBondContact O-SG 2.84Å; C131-C136 VanDerWaalsContact O-SG 3.4Å; C131-C136 WeakPolarHBondContact SG-CB 3.38Å; C131-C136 CovalentContact SG-SG 2.01Å; C131-C136 PolarHBondContact SG-SG 2.82Å; C131-N137 PolarHBondContact SG-N 2.95Å; C131-L142 HydrophobicContact CB-CD2 3.89Å
132R92.2Very high86.4Confident160 Ų16053.7 Ų53.760%0.60428%0.281SS*.  trans-107.9-14.3-173.4-164.4168.4177.9179.4-0.3116.3T9 N59 D104T9-R132 WeakPolarHBondContact CG2-O 3.23Å; T9-R132 PolarHBondContact OG1-O 2.83Å; N59-R132 WeakPolarHBondContact OD1-CB 3.39Å; D104-R132 PolarHBondContact OD1-N 2.05Å
133D91.2Very high85.3Confident116 Ų11653.2 Ų53.262%0.6227%0.268SS*.SBendtrans-76.5157.1-178.1-61-39.1000112.7L135 C136D133-L135 PolarHBondContact O-N 3.31Å; D133-L135 VanDerWaalsContact O-N 3.16Å; D133-C136 HydrophobicContact CB-CB 3.94Å; D133-C136 WeakPolarHBondContact O-CB 3.32Å; D133-C136 PolarHBondContact O-N 3.03Å; D133-C136 VanDerWaalsContact O-N 3.11Å; D133-C136 PolarHBondContact O-SG 3.04Å
134T92Very high83.5Confident99 Ų9953.3 Ų53.361%0.60728%0.275SS*.THydrogen-bonded Turntrans-56.7122.5178.5-62.50000111.1S10 C136S10-T134 CarbonylContact O-C 3.46Å; S10-T134 WeakPolarHBondContact O-CA 3.44Å; T134-C136 PolarHBondContact O-N 3.31Å; T134-C136 VanDerWaalsContact O-N 3.13Å
135L92.1Very high81.8Confident40 Ų4058.2 Ų58.221%0.20930%0.299CS..THydrogen-bonded Turntrans59.218.5179-53.5179.3000114.3S10 Y12 K53 D133 N137 G138S10-L135 PolarHBondContact O-N 2.87Å; Y12-L135 HydrophobicContact CD1-CD2 4.22Å; Y12-L135 HydrophobicContact CD2-CB 4.1Å; Y12-L135 HydrophobicContact CD2-CD2 4.3Å; Y12-L135 HydrophobicContact CE1-CD1 4.46Å; Y12-L135 HydrophobicContact CE1-CD2 4.19Å; Y12-L135 HydrophobicContact CE2-CB 3.6Å; Y12-L135 HydrophobicContact CE2-CD2 4.27Å; Y12-L135 HydrophobicContact CE2-CG 4.32Å; Y12-L135 WeakPolarHBondContact CE2-O 3.25Å; Y12-L135 HydrophobicContact CG-CD2 4.29Å; K53-L135 HydrophobicContact CD-CD1 4.47Å; K53-L135 HydrophobicContact CD-CD2 4.02Å; K53-L135 HydrophobicContact CG-CD2 3.99Å; D133-L135 PolarHBondContact O-N 3.31Å; D133-L135 VanDerWaalsContact O-N 3.16Å; L135-N137 PolarHBondContact O-N 2.8Å; L135-G138 PolarHBondContact O-N 2.84Å
136C93.3Very high80Confident26 Ų2661 Ų6118%0.17631%0.31CS..G310 helixtrans-60.9-29.8-177.2670000112.8C131 D133 T134 G138C131-C136 HydrophobicContact CB-CB 3.79Å; C131-C136 WeakPolarHBondContact CB-SG 3.27Å; C131-C136 PolarHBondContact O-SG 2.84Å; C131-C136 VanDerWaalsContact O-SG 3.4Å; C131-C136 WeakPolarHBondContact SG-CB 3.38Å; C131-C136 CovalentContact SG-SG 2.01Å; C131-C136 PolarHBondContact SG-SG 2.82Å; D133-C136 HydrophobicContact CB-CB 3.94Å; D133-C136 WeakPolarHBondContact O-CB 3.32Å; D133-C136 PolarHBondContact O-N 3.03Å; D133-C136 VanDerWaalsContact O-N 3.11Å; D133-C136 PolarHBondContact O-SG 3.04Å; T134-C136 PolarHBondContact O-N 3.31Å; T134-C136 VanDerWaalsContact O-N 3.13Å; C136-G138 PolarHBondContact O-N 2.59Å
137N94.2Very high78.1Confident1 Ų164 Ų641%0.00534%0.335CS..G310 helixtrans-75.71817775-27000112.5Y12 C60 I61 R79 C131 L135Y12-N137 WeakPolarHBondContact CB-OD1 3.48Å; Y12-N137 PolarHBondContact N-OD1 3.07Å; Y12-N137 PolarHBondContact O-ND2 2.99Å; C60-N137 HydrophobicContact CB-CB 3.58Å; I61-N137 PolarHBondContact O-ND2 2.97Å; R79-N137 WeakPolarHBondContact CD-O 3.3Å; R79-N137 PolarHBondContact NH1-O 3.34Å; C131-N137 PolarHBondContact SG-N 2.95Å; L135-N137 PolarHBondContact O-N 2.8Å
138G90Very high76.3Confident8 Ų865.2 Ų65.28%0.08235%0.351CS..G310 helixtrans-85.8-35.2172.400000113.2Y12 G45 R79 L135 C136Y12-G138 VanDerWaalsContact CD2-CA 3.44Å; G45-G138 VanDerWaalsContact CA-O 3.23Å; G45-G138 WeakPolarHBondContact CA-O 3.25Å; G45-G138 PolarHBondContact N-O 2.94Å; R79-G138 PolarHBondContact NH1-O 2.95Å; L135-G138 PolarHBondContact O-N 2.84Å; C136-G138 PolarHBondContact O-N 2.59Å
139S74.1Confident74.6Confident55 Ų5568.9 Ų68.939%0.38537%0.373SS..  trans-84.6127.1-177.4-172.70000111.1R141S139-R141 PolarHBondContact O-N 2.8Å; S139-R141 VanDerWaalsContact OG-CB 3.27Å; S139-R141 WeakPolarHBondContact OG-CB 3.12Å; S139-R141 PolarHBondContact OG-N 3.21Å; S139-R141 VanDerWaalsContact OG-N 3.07Å
140T66.8Low73Confident70 Ų7075.4 Ų75.443%0.42940%0.404SS..G310 helixtrans-69.6-8.9165.450.10000112L62 I64 Y77 L142L62-T140 HydrophobicContact CD2-CG2 4.39Å; I64-T140 HydrophobicContact CD1-CG2 4.44Å; Y77-T140 HydrophobicContact CE1-CG2 4.21Å; T140-L142 VanDerWaalsContact C-N 3.25Å; T140-L142 PolarHBondContact O-N 3.01Å
141R58.2Low71.6Confident187 Ų18780.5 Ų80.571%0.70643%0.431SS*.G310 helixtrans-80.412.5-178.8-52.2-168.9-160.3-169.55.6115.1S139 Q143 S144S139-R141 PolarHBondContact O-N 2.8Å; S139-R141 VanDerWaalsContact OG-CB 3.27Å; S139-R141 WeakPolarHBondContact OG-CB 3.12Å; S139-R141 PolarHBondContact OG-N 3.21Å; S139-R141 VanDerWaalsContact OG-N 3.07Å; R141-Q143 PolarHBondContact O-N 3.24Å; R141-S144 PolarHBondContact O-N 3.35Å
142L55.8Low70.7Confident40 Ų4085.3 Ų85.321%0.20946%0.456CS..G310 helixtrans-53.8-18.3172.8-90.4144.6000113.1C129 C131 T140C129-L142 HydrophobicContact CB-CD1 4.37Å; C131-L142 HydrophobicContact CB-CD2 3.89Å; T140-L142 VanDerWaalsContact C-N 3.25Å; T140-L142 PolarHBondContact O-N 3.01Å
143Q52.8Low69.8Low109 Ų10984.1 Ų84.151%0.50946%0.455SS..G310 helixtrans-74.6-23173.2-63-1775.500114.8R141R141-Q143 PolarHBondContact O-N 3.24Å
144S46Very low69.1Low77 Ų7782.9 Ų82.954%0.53845%0.447SS..Hα-helixtrans-90.7-29.2-166.6-161.80000114.3R141 K146 A147 G148R141-S144 PolarHBondContact O-N 3.35Å; S144-K146 PolarHBondContact O-N 2.82Å; S144-A147 PolarHBondContact O-N 2.91Å; S144-G148 PolarHBondContact O-N 3.1Å
145L53.4Low68.5Low134 Ų13482.9 Ų82.970%0.70244%0.443SS*.Hα-helixtrans-71-34.2-171.7-75.8157.8000113.5V149L145-V149 WeakPolarHBondContact O-CG2 3.19Å; L145-V149 PolarHBondContact O-N 2.8Å
146K53.6Low67.9Low134 Ų13485.3 Ų85.358%0.58346%0.455SS*.Hα-helixtrans-74.2-32.9178.7-71.8-175-179.5176.70113.2D104 S144 Q150D104-K146 PolarHBondContact O-NZ 2.94Å; S144-K146 PolarHBondContact O-N 2.82Å; K146-Q150 PolarHBondContact O-N 3.07Å
147A53.3Low67.3Low65 Ų6587.6 Ų87.654%0.53747%0.469SS..Hα-helixtrans-68.8-41.417600000111.7S144 L151S144-A147 PolarHBondContact O-N 2.91Å; A147-L151 PolarHBondContact O-N 3.1Å; A147-L151 VanDerWaalsContact O-N 3.12Å
148G58.1Low66.5Low42 Ų4292 Ų9243%0.43349%0.491SS..Hα-helixtrans-65.1-41.6178.400000113.4S144 L151 L152S144-G148 PolarHBondContact O-N 3.1Å; G148-L151 PolarHBondContact O-N 2.96Å; G148-L152 PolarHBondContact O-N 3.06Å
149V61.7Low66Low77 Ų7794.5 Ų94.547%0.46751%0.508SS..Hα-helixtrans-68.1-41.9179.1173.70000111.6L145 L151 L152 F153L145-V149 WeakPolarHBondContact O-CG2 3.19Å; L145-V149 PolarHBondContact O-N 2.8Å; V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 3.47Å; V149-L152 PolarHBondContact O-N 3.46Å; V149-F153 HydrophobicContact CG1-CD2 3.66Å; V149-F153 HydrophobicContact CG1-CE2 3.51Å; V149-F153 VanDerWaalsContact O-CD2 3.25Å; V149-F153 WeakPolarHBondContact O-CD2 3.31Å; V149-F153 PolarHBondContact O-N 2.91Å
150Q61.9Low66.1Low141 Ų14194.4 Ų94.466%0.65951%0.51SS*.Hα-helixtrans-62.3-41.3175.3-77.1-160.5-21.400112.3K146 L152 F153 I154K146-Q150 PolarHBondContact O-N 3.07Å; Q150-L152 VanDerWaalsContact C-N 3.34Å; Q150-L152 PolarHBondContact O-N 3.1Å; Q150-F153 PolarHBondContact O-N 2.85Å; Q150-I154 VanDerWaalsContact O-CG1 3.32Å; Q150-I154 WeakPolarHBondContact O-CG1 3.44Å; Q150-I154 PolarHBondContact O-N 2.85Å
151L67.8Low66.5Low107 Ų10795.7 Ų95.756%0.5651%0.514SS*.Hα-helixtrans-64.7-39.1177-165.472.2000111.7A147 G148 V149 I154 L155A147-L151 PolarHBondContact O-N 3.1Å; A147-L151 VanDerWaalsContact O-N 3.12Å; G148-L151 PolarHBondContact O-N 2.96Å; V149-L151 VanDerWaalsContact C-N 3.34Å; V149-L151 PolarHBondContact O-N 3.47Å; L151-I154 PolarHBondContact O-N 2.05Å; L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 WeakPolarHBondContact O-CB 3.06Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 2.84Å
152L75.5Confident67Low104 Ų10496.4 Ų96.455%0.54552%0.516SS..Hα-helixtrans-63.7-43.8176.8-163.779.1000111.9G148 V149 Q150 I154 L155 I156G148-L152 PolarHBondContact O-N 3.06Å; V149-L152 PolarHBondContact O-N 3.46Å; Q150-L152 VanDerWaalsContact C-N 3.34Å; Q150-L152 PolarHBondContact O-N 3.1Å; L152-I154 PolarHBondContact O-N 2.88Å; L152-L155 PolarHBondContact O-N 3.29Å; L152-I156 HydrophobicContact CD2-CD1 4.34Å; L152-I156 HydrophobicContact CG-CD1 4.05Å; L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.99Å
153F73.9Confident67.4Low135 Ų135102.2 Ų102.259%0.59254%0.542SS*.Hα-helixtrans-63.3-39.3175.3-84.2-70.8000112.4V149 Q150 I156 T157V149-F153 HydrophobicContact CG1-CD2 3.66Å; V149-F153 HydrophobicContact CG1-CE2 3.51Å; V149-F153 VanDerWaalsContact O-CD2 3.25Å; V149-F153 WeakPolarHBondContact O-CD2 3.31Å; V149-F153 PolarHBondContact O-N 2.91Å; Q150-F153 PolarHBondContact O-N 2.85Å; F153-I156 PolarHBondContact O-N 3.1Å; F153-T157 WeakPolarHBondContact O-CB 3.22Å; F153-T157 WeakPolarHBondContact O-CG2 3.44Å; F153-T157 PolarHBondContact O-N 3.12Å; F153-T157 PolarHBondContact O-OG1 3.18Å
154I76.2Confident68.2Low90 Ų90102.6 Ų102.646%0.46255%0.552SS.*Hα-helixtrans-64.4-41.7174.7-68166.8000110.7Q150 L151 L152 T157 L158Q150-I154 VanDerWaalsContact O-CG1 3.32Å; Q150-I154 WeakPolarHBondContact O-CG1 3.44Å; Q150-I154 PolarHBondContact O-N 2.85Å; L151-I154 PolarHBondContact O-N 2.05Å; L152-I154 PolarHBondContact O-N 2.88Å; I154-T157 WeakPolarHBondContact CA-OG1 3.43Å; I154-T157 PolarHBondContact O-N 3Å; I154-T157 PolarHBondContact O-OG1 2.88Å; I154-L158 HydrophobicContact CG2-CD1 3.78Å; I154-L158 HydrophobicContact CG2-CG 4.34Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.42Å; I154-L158 PolarHBondContact O-N 3.25Å
155L79.3Confident68.9Low99 Ų99105.1 Ų105.152%0.51856%0.559SS.*Hα-helixtrans-66.2-40.9177.9-72.1168000112.5L151 L152 L158 S159L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 WeakPolarHBondContact O-CB 3.06Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 2.84Å; L152-L155 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 3.33Å; L155-S159 WeakPolarHBondContact O-CB 3.4Å; L155-S159 PolarHBondContact O-N 3.38Å; L155-S159 PolarHBondContact O-OG 2.91Å
156I80.6Confident69.1Low91 Ų91107.7 Ų107.747%0.46758%0.58SS.*Hα-helixtrans-66.6-40.9177-67.2165.2000111.1L152 F153 S159 A160L152-I156 HydrophobicContact CD2-CD1 4.34Å; L152-I156 HydrophobicContact CG-CD1 4.05Å; L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.45Å; L152-I156 PolarHBondContact O-N 2.99Å; F153-I156 PolarHBondContact O-N 3.1Å; I156-S159 WeakPolarHBondContact CA-OG 3.31Å; I156-S159 PolarHBondContact O-N 3.3Å; I156-S159 PolarHBondContact O-OG 3.19Å; I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.29Å
157T79.1Confident69.9Low74 Ų74106.4 Ų106.445%0.45458%0.58SS.*Hα-helixtrans-67.9-41.1176.948.80000111.3F153 I154 S159 A160 I161F153-T157 WeakPolarHBondContact O-CB 3.22Å; F153-T157 WeakPolarHBondContact O-CG2 3.44Å; F153-T157 PolarHBondContact O-N 3.12Å; F153-T157 PolarHBondContact O-OG1 3.18Å; I154-T157 WeakPolarHBondContact CA-OG1 3.43Å; I154-T157 PolarHBondContact O-N 3Å; I154-T157 PolarHBondContact O-OG1 2.88Å; T157-S159 PolarHBondContact O-N 2.66Å; T157-A160 PolarHBondContact O-N 3.02Å; T157-I161 WeakPolarHBondContact O-CD1 3.07Å; T157-I161 WeakPolarHBondContact O-CG1 2.9Å; T157-I161 PolarHBondContact O-N 3.09Å
158L78.6Confident70.7Confident92 Ų92108.6 Ų108.648%0.48258%0.582SS.*Hα-helixtrans-63.7-38.6173.7-73.4170000112.8I154 L155 R162I154-L158 HydrophobicContact CG2-CD1 3.78Å; I154-L158 HydrophobicContact CG2-CG 4.34Å; I154-L158 WeakPolarHBondContact O-CB 3.33Å; I154-L158 WeakPolarHBondContact O-CG 3.42Å; I154-L158 PolarHBondContact O-N 3.25Å; L155-L158 PolarHBondContact O-N 3.33Å; L158-R162 WeakPolarHBondContact O-CG 3.24Å; L158-R162 PolarHBondContact O-N 3.05Å
159S80Confident71.4Confident62 Ų62112.3 Ų112.343%0.43459%0.59SS.*Hα-helixtrans-72.4-33.3176.265.50000112.4L155 I156 T157 H163L155-S159 WeakPolarHBondContact O-CB 3.4Å; L155-S159 PolarHBondContact O-N 3.38Å; L155-S159 PolarHBondContact O-OG 2.91Å; I156-S159 WeakPolarHBondContact CA-OG 3.31Å; I156-S159 PolarHBondContact O-N 3.3Å; I156-S159 PolarHBondContact O-OG 3.19Å; T157-S159 PolarHBondContact O-N 2.66Å; S159-H163 PolarHBondContact O-CD2 3.28Å; S159-H163 PolarHBondContact O-N 3.09Å
160A76.3Confident72Confident52 Ų52114.4 Ų114.443%0.4360%0.598SS.*Hα-helixtrans-68.6-41174.300000112.1I156 T157 R162 H163 V164I156-A160 VanDerWaalsContact O-CB 3.27Å; I156-A160 WeakPolarHBondContact O-CB 3.46Å; I156-A160 PolarHBondContact O-N 3.29Å; T157-A160 PolarHBondContact O-N 3.02Å; A160-R162 PolarHBondContact O-N 3.37Å; A160-H163 PolarHBondContact O-N 2.97Å; A160-H163 VanDerWaalsContact O-N 3.15Å; A160-V164 PolarHBondContact O-N 2.88Å
161I74.7Confident72.6Confident98 Ų98112.7 Ų112.750%0.50359%0.594SS.*Hα-helixtrans-62.4-44.2176.1-66160.7000110.2T157 H163 V164T157-I161 WeakPolarHBondContact O-CD1 3.07Å; T157-I161 WeakPolarHBondContact O-CG1 2.9Å; T157-I161 PolarHBondContact O-N 3.09Å; I161-H163 PolarHBondContact O-N 3.23Å; I161-H163 VanDerWaalsContact O-N 3.11Å; I161-V164 PolarHBondContact O-N 3.12Å
162R68.8Low72.9Confident202 Ų202113.1 Ų113.176%0.76260%0.596SS**Hα-helixtrans-61.9-19.7176.2-75.3-176.2178.9-161.2-0.3114.6L158 A160L158-R162 WeakPolarHBondContact O-CG 3.24Å; L158-R162 PolarHBondContact O-N 3.05Å; A160-R162 PolarHBondContact O-N 3.37Å
163H63.4Low72.8Confident161 Ų161113.7 Ų113.775%0.74560%0.6SS**THydrogen-bonded Turntrans-91.7-8.7177.5-96.3-66.7000114S159 A160 I161S159-H163 PolarHBondContact O-CD2 3.28Å; S159-H163 PolarHBondContact O-N 3.09Å; A160-H163 PolarHBondContact O-N 2.97Å; A160-H163 VanDerWaalsContact O-N 3.15Å; I161-H163 PolarHBondContact O-N 3.23Å; I161-H163 VanDerWaalsContact O-N 3.11Å
164V70.1Confident72.7Confident118 Ų118112.1 Ų112.172%0.71560%0.6SS**THydrogen-bonded Turntrans-97.4-16.1176.8179.20000111.7A160 I161A160-V164 PolarHBondContact O-N 2.88Å; I161-V164 PolarHBondContact O-N 3.12Å
165D59.9Low72.4Confident129 Ų129113.9 Ų113.969%0.6961%0.612SS**  trans-97.924.3-177.7-64.7-40.6000114.8
166V57.8Low71.7Confident189 Ų189115.3 Ų115.3100%1.14562%0.621SS**  trans-132.10170.4-177.20000109.8

Retrieved 166 of 166 residues in 56.5 ms (Link to these results)

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