A0A060WPA3_ONCMY Loading...

THAP domain containing 4

AlphaFold DB , UniProt , Accession A0A060WPA3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 169 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
1M40.5Very low61.7Low247 Ų247134.3 Ų134.3100%1.21774%0.736SS**  01120-72.3-174.7-127.300107.3
2A42Very low64.5Low100 Ų100126.8 Ų126.883%0.82669%0.694SS**  trans-74134.2175.200000108.7P4A2-P4 WeakPolarHBondContact O-CD 3.49Å
3C39.8Very low66.9Low91 Ų91124.6 Ų124.662%0.61569%0.69SS**  trans-64.9121.3179.1-152.30000108.7F5C3-F5 PolarHBondContact O-N 3.01Å
4P49.4Very low68.8Low114 Ų114118.1 Ų118.174%0.7466%0.661SS**THydrogen-bonded Turntrans-71.72.3-169.727.2-34000114.8A2A2-P4 WeakPolarHBondContact O-CD 3.49Å
5F55.6Low70.6Confident175 Ų175110.3 Ų110.377%0.76862%0.617SS**THydrogen-bonded Turntrans-98.113.9-174.1-62.4-74.6000114.4C3 Q7C3-F5 PolarHBondContact O-N 3.01Å; F5-Q7 PolarHBondContact O-N 3.13Å; F5-Q7 VanDerWaalsContact O-N 3.13Å
6H48.6Very low72.2Confident190 Ų190109.6 Ų109.688%0.8861%0.611SS**  trans-87.648.3-178.9-116.779.8000112.8
7Q55.8Low73.6Confident181 Ų181106.1 Ų106.185%0.84660%0.599SS**  trans-102.5117.4165.1-149163.429.800107.4F5 A9F5-Q7 PolarHBondContact O-N 3.13Å; F5-Q7 VanDerWaalsContact O-N 3.13Å; Q7-A9 PolarHBondContact O-N 2.98Å
8S71.6Confident74.9Confident116 Ų116100.2 Ų100.281%0.81157%0.566SS**  trans-60.8108.7172-175.80000107.4
9A86.2Confident76.1Confident38 Ų3899.3 Ų99.331%0.31456%0.559SS.*PPolyproline II helixtrans-64.6140.6174.200000109.1Q7 H51 V52Q7-A9 PolarHBondContact O-N 2.98Å; A9-H51 PolarHBondContact O-CE1 2.59Å; A9-H51 VanDerWaalsContact O-CE1 3.32Å; A9-V52 VanDerWaalsContact CB-C 3.47Å; A9-V52 WeakPolarHBondContact CB-O 3.07Å
10E94Very high77.2Confident178 Ų17895.1 Ų95.183%0.83253%0.534SS*.PPolyproline II helixtrans-64.2147171.7-68.6-174.1169.400110.4N12 G53E10-N12 PolarHBondContact O-N 3.47Å; E10-G53 WeakPolarHBondContact O-CA 3.38Å
11L95.4Very high78.2Confident47 Ų4790.5 Ų90.525%0.24651%0.509CS..PPolyproline II helixtrans-66.9128.5176.8-17861.8000109.5L15 L16 D19 L22 H51L11-L15 HydrophobicContact CD1-CB 3.75Å; L11-L15 HydrophobicContact CD1-CD1 3.85Å; L11-L15 HydrophobicContact CD1-CG 4.44Å; L11-L15 HydrophobicContact CG-CB 4.27Å; L11-L16 HydrophobicContact CD2-CD2 4.08Å; L11-D19 HydrophobicContact CD2-CB 3.93Å; L11-L22 HydrophobicContact CD1-CD1 3.72Å; L11-L22 HydrophobicContact CD2-CD1 3.93Å; L11-L22 HydrophobicContact CG-CD1 4.47Å; L11-H51 HydrophobicContact CD1-CB 4.44Å
12N95.5Very high80.9Confident44 Ų4480.1 Ų80.124%0.23546%0.458CS..PPolyproline II helixtrans-62.1131.2175.9-165.9-68.8000109.9E10 A14 L15 G53E10-N12 PolarHBondContact O-N 3.47Å; N12-A14 PolarHBondContact O-N 3.47Å; N12-A14 WeakPolarHBondContact OD1-CB 3.5Å; N12-A14 PolarHBondContact OD1-N 3.2Å; N12-L15 HydrophobicContact CB-CD1 4.37Å; N12-L15 HydrophobicContact CB-CG 4.33Å; N12-L15 WeakPolarHBondContact O-CB 3.33Å; N12-L15 PolarHBondContact O-N 3.38Å; N12-G53 WeakPolarHBondContact CB-O 3.31Å; N12-G53 PolarHBondContact ND2-O 3.13Å
13P95.3Very high83.6Confident99 Ų9976.1 Ų76.164%0.64343%0.426SS*.G310 helixtrans-55-28.4-179.6-29.536.2000114.6L15 L16P13-L15 PolarHBondContact O-N 3.32Å; P13-L16 HydrophobicContact CB-CD1 4.27Å; P13-L16 WeakPolarHBondContact O-CG 3.48Å; P13-L16 PolarHBondContact O-N 2.8Å
14A94.3Very high86.4Confident34 Ų3472.2 Ų72.228%0.28140%0.4SS..G310 helixtrans-60.6-26.6175.300000112.8N12 P55 I81N12-A14 PolarHBondContact O-N 3.47Å; N12-A14 WeakPolarHBondContact OD1-CB 3.5Å; N12-A14 PolarHBondContact OD1-N 3.2Å; A14-P55 HydrophobicContact CB-CB 4Å; A14-I81 WeakPolarHBondContact O-CG2 3.49Å
15L95.6Very high88.8Confident0 Ų066.8 Ų66.80%036%0.364CS..G310 helixtrans-92.4-2.1-176.9-60.8-178.7000113.9L11 N12 P13 A17 L18 D19 H51 Q54 I57 I81L11-L15 HydrophobicContact CD1-CB 3.75Å; L11-L15 HydrophobicContact CD1-CD1 3.85Å; L11-L15 HydrophobicContact CD1-CG 4.44Å; L11-L15 HydrophobicContact CG-CB 4.27Å; N12-L15 HydrophobicContact CB-CD1 4.37Å; N12-L15 HydrophobicContact CB-CG 4.33Å; N12-L15 WeakPolarHBondContact O-CB 3.33Å; N12-L15 PolarHBondContact O-N 3.38Å; P13-L15 PolarHBondContact O-N 3.32Å; L15-A17 PolarHBondContact O-N 3.06Å; L15-A17 VanDerWaalsContact O-N 3.17Å; L15-L18 CarbonylContact O-C 3.43Å; L15-L18 WeakPolarHBondContact O-CA 3.16Å; L15-L18 PolarHBondContact O-N 2.76Å; L15-D19 PolarHBondContact O-N 3.21Å; L15-D19 VanDerWaalsContact O-N 3.11Å; L15-H51 HydrophobicContact CD1-CB 4.31Å; L15-Q54 WeakPolarHBondContact CD1-O 3.45Å; L15-I57 HydrophobicContact CD1-CG1 3.96Å; L15-I57 HydrophobicContact CD2-CG1 4.08Å; L15-I81 HydrophobicContact CD2-CG2 4.2Å
16L95.4Very high90.8Very high100 Ų10060.8 Ų60.852%0.52434%0.339SS..G310 helixtrans-57.6-33.2-177.7-71.3170.3000112.6L11 P13 L18 D19L11-L16 HydrophobicContact CD2-CD2 4.08Å; P13-L16 HydrophobicContact CB-CD1 4.27Å; P13-L16 WeakPolarHBondContact O-CG 3.48Å; P13-L16 PolarHBondContact O-N 2.8Å; L16-L18 PolarHBondContact O-N 3.26Å; L16-D19 VanDerWaalsContact O-CG 3.25Å; L16-D19 PolarHBondContact O-N 3.04Å
17A96.4Very high93.1Very high49 Ų4952.7 Ų52.741%0.40530%0.304SS..G310 helixtrans-70.9-14.117700000113.8L15 W20 I81 L106L15-A17 PolarHBondContact O-N 3.06Å; L15-A17 VanDerWaalsContact O-N 3.17Å; A17-W20 VanDerWaalsContact O-CD1 3.28Å; A17-W20 PolarHBondContact O-NE1 2.89Å; A17-I81 HydrophobicContact CB-CD1 4.16Å; A17-L106 HydrophobicContact CB-CD2 3.63Å; A17-L106 WeakPolarHBondContact O-CD2 3.3Å
18L97.6Very high94.5Very high0 Ų047.1 Ų47.10%028%0.279CS..G310 helixtrans-116.98.5-179.3-65.8174.4000112.3L15 L16 W20 L21 I57 I79 I81 V88 L106L15-L18 CarbonylContact O-C 3.43Å; L15-L18 WeakPolarHBondContact O-CA 3.16Å; L15-L18 PolarHBondContact O-N 2.76Å; L16-L18 PolarHBondContact O-N 3.26Å; L18-W20 PolarHBondContact O-N 2.85Å; L18-W20 VanDerWaalsContact O-N 3.15Å; L18-L21 HydrophobicContact CB-CD1 4.47Å; L18-L21 HydrophobicContact CD2-CD1 4.11Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-I57 HydrophobicContact CB-CD1 3.7Å; L18-I57 HydrophobicContact CD1-CD1 4.32Å; L18-I79 HydrophobicContact CD1-CG2 4.2Å; L18-I81 HydrophobicContact CD1-CB 4Å; L18-I81 HydrophobicContact CD1-CD1 4.35Å; L18-I81 HydrophobicContact CD1-CG2 4.3Å; L18-I81 HydrophobicContact CG-CD1 4.39Å; L18-V88 HydrophobicContact CD1-CG2 4.31Å; L18-V88 HydrophobicContact CD2-CG2 4.45Å; L18-L106 HydrophobicContact CD2-CD1 3.89Å; L18-L106 HydrophobicContact CD2-CD2 3.9Å; L18-L106 HydrophobicContact CD2-CG 4.44Å; L18-L106 HydrophobicContact CG-CD2 4.38Å
19D96.9Very high95.7Very high83 Ų8347.5 Ų47.544%0.44427%0.269SS..G310 helixtrans-58.2-30.6-177.471.2-18000112.4L11 L15 L16 L21 L22L11-D19 HydrophobicContact CD2-CB 3.93Å; L15-D19 PolarHBondContact O-N 3.21Å; L15-D19 VanDerWaalsContact O-N 3.11Å; L16-D19 VanDerWaalsContact O-CG 3.25Å; L16-D19 PolarHBondContact O-N 3.04Å; D19-L21 PolarHBondContact O-N 2.78Å; D19-L21 VanDerWaalsContact O-N 3.14Å; D19-L22 HydrophobicContact CB-CD1 4.44Å; D19-L22 VanDerWaalsContact O-CB 3.31Å; D19-L22 WeakPolarHBondContact O-CB 3.43Å; D19-L22 PolarHBondContact O-N 3.07Å
20W98Very high96.3Very high15 Ų1547.2 Ų47.26%0.05726%0.264CS..G310 helixtrans-59.7-23.217762.4-91.7000113.4A17 L18 W25 L106 Q109 L111 F136 L138 L144 R167A17-W20 VanDerWaalsContact O-CD1 3.28Å; A17-W20 PolarHBondContact O-NE1 2.89Å; L18-W20 PolarHBondContact O-N 2.85Å; L18-W20 VanDerWaalsContact O-N 3.15Å; W20-W25 WeakPolarHBondContact O-CZ2 3.31Å; W20-L106 HydrophobicContact CZ2-CD1 3.93Å; W20-Q109 HydrophobicContact CD2-CB 4.35Å; W20-Q109 HydrophobicContact CG-CG 4.42Å; W20-Q109 WeakPolarHBondContact CH2-O 3.3Å; W20-L111 HydrophobicContact CH2-CB 4.37Å; W20-L111 HydrophobicContact CZ2-CB 4.3Å; W20-F136 HydrophobicContact CH2-CB 4.02Å; W20-F136 HydrophobicContact CZ3-CB 4.44Å; W20-L138 HydrophobicContact CB-CD2 3.7Å; W20-L138 HydrophobicContact CD2-CB 4.27Å; W20-L138 HydrophobicContact CE3-CB 3.6Å; W20-L138 HydrophobicContact CE3-CD2 4.42Å; W20-L138 HydrophobicContact CG-CD2 4.47Å; W20-L138 HydrophobicContact CZ3-CB 3.96Å; W20-L144 HydrophobicContact CE3-CD1 4.31Å; W20-L144 HydrophobicContact CZ3-CD1 3.61Å; W20-R167 PolarHBondContact O-NH2 3.22Å
21L98.4Very high96.5Very high0 Ų038.9 Ų38.90%023%0.225CC..G310 helixtrans-76.9-31.3173.9-69.5171.7000112.7L18 D19 W25 F49 I79 L111 L144L18-L21 HydrophobicContact CB-CD1 4.47Å; L18-L21 HydrophobicContact CD2-CD1 4.11Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.43Å; D19-L21 PolarHBondContact O-N 2.78Å; D19-L21 VanDerWaalsContact O-N 3.14Å; L21-W25 PolarHBondContact O-NE1 2.94Å; L21-F49 HydrophobicContact CB-CD1 4.29Å; L21-F49 HydrophobicContact CB-CD2 4.5Å; L21-F49 HydrophobicContact CB-CG 4.24Å; L21-F49 HydrophobicContact CD2-CZ 4.24Å; L21-F49 VanDerWaalsContact O-CB 3.31Å; L21-F49 WeakPolarHBondContact O-CB 3.37Å; L21-F49 WeakPolarHBondContact O-CD2 3.16Å; L21-F49 WeakPolarHBondContact O-CG 3.26Å; L21-I79 HydrophobicContact CD1-CD1 3.95Å; L21-L111 HydrophobicContact CD1-CD2 4.46Å; L21-L144 HydrophobicContact CD2-CD1 4.2Å
22L98.3Very high96.6Very high28 Ų2841.7 Ų41.715%0.14724%0.237CC..  trans-59.1141.1-170-65175.4000112.2L11 D19 I57 R167L11-L22 HydrophobicContact CD1-CD1 3.72Å; L11-L22 HydrophobicContact CD2-CD1 3.93Å; L11-L22 HydrophobicContact CG-CD1 4.47Å; D19-L22 HydrophobicContact CB-CD1 4.44Å; D19-L22 VanDerWaalsContact O-CB 3.31Å; D19-L22 WeakPolarHBondContact O-CB 3.43Å; D19-L22 PolarHBondContact O-N 3.07Å; L22-I57 HydrophobicContact CD2-CD1 4.16Å; L22-I57 HydrophobicContact CD2-CG1 4.03Å; L22-I57 HydrophobicContact CD2-CG2 4.18Å; L22-R167 PolarHBondContact O-NH1 3.15Å
23G97.8Very high96.7Very high16 Ų1639.7 Ų39.717%0.16523%0.227CC..EExtended strand (participates in β ladder)trans116.4-169.6-179.600000113F49 S169G23-F49 PolarHBondContact N-O 2.81Å; G23-F49 PolarHBondContact O-N 2.94Å; G23-S169 CarbonylContact C-O 3.53Å; G23-S169 WeakPolarHBondContact CA-O 3.45Å
24V98.7Very high96.6Very high9 Ų937.5 Ų37.56%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-105.8127.9177.6-176.90000109.5E26 R46 L47 S168 S169V24-E26 HydrophobicContact CG1-CG 4.43Å; V24-R46 HydrophobicContact CG1-CG 4Å; V24-L47 WeakPolarHBondContact CA-O 3.31Å; V24-S168 VanDerWaalsContact CB-OG 3.29Å; V24-S168 WeakPolarHBondContact CB-OG 3.32Å; V24-S168 WeakPolarHBondContact CG1-OG 3.41Å; V24-S168 PolarHBondContact O-N 2.92Å; V24-S168 PolarHBondContact O-OG 2.85Å; V24-S169 VanDerWaalsContact CB-OG 3.31Å; V24-S169 WeakPolarHBondContact CB-OG 3.28Å; V24-S169 WeakPolarHBondContact CG2-OG 3.48Å; V24-S169 PolarHBondContact N-O 2.79Å
25W98.8Very high96.5Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-114.3137.7174.9-57.886.4000110W20 L21 R46 L47 F49 L138 G142 L144 Y165 R166 R167W20-W25 WeakPolarHBondContact O-CZ2 3.31Å; L21-W25 PolarHBondContact O-NE1 2.94Å; W25-R46 CarbonylContact O-C 3.46Å; W25-R46 WeakPolarHBondContact O-CA 3.41Å; W25-L47 HydrophobicContact CB-CB 4.07Å; W25-L47 HydrophobicContact CB-CD1 4.28Å; W25-L47 HydrophobicContact CB-CG 4.26Å; W25-L47 PolarHBondContact N-O 2.82Å; W25-L47 PolarHBondContact O-N 2.97Å; W25-F49 AromaticContact CD1-CD2 3.66Å; W25-F49 AromaticContact CD1-CE2 3.8Å; W25-F49 AromaticContact NE1-CD2 3.9Å; W25-L138 HydrophobicContact CH2-CD1 3.79Å; W25-L138 HydrophobicContact CZ3-CD1 4.48Å; W25-G142 WeakPolarHBondContact CZ3-O 3.36Å; W25-L144 HydrophobicContact CB-CD2 4.48Å; W25-L144 HydrophobicContact CD2-CB 3.83Å; W25-L144 HydrophobicContact CD2-CD2 3.85Å; W25-L144 HydrophobicContact CE3-CB 3.53Å; W25-L144 HydrophobicContact CE3-CD2 4.41Å; W25-L144 HydrophobicContact CG-CD2 3.88Å; W25-L144 HydrophobicContact CH2-CB 3.88Å; W25-L144 HydrophobicContact CZ2-CB 4.12Å; W25-L144 HydrophobicContact CZ2-CD2 4.41Å; W25-L144 HydrophobicContact CZ3-CB 3.58Å; W25-Y165 HydrophobicContact CB-CD1 4.47Å; W25-Y165 HydrophobicContact CB-CG 4.21Å; W25-R166 WeakPolarHBondContact CA-O 3.44Å; W25-R167 HydrophobicContact CD2-CB 4.44Å; W25-R167 HydrophobicContact CE3-CB 3.92Å; W25-R167 HydrophobicContact CH2-CB 4.16Å; W25-R167 VanDerWaalsContact CH2-CZ 3.45Å; W25-R167 VanDerWaalsContact CH2-NH2 3.3Å; W25-R167 HydrophobicContact CZ3-CB 3.74Å
26E98.4Very high96.1Very high50 Ų5041.6 Ų41.623%0.23424%0.238CC..EExtended strand (participates in β ladder)trans-126.3138.7176.6-66.2-176.5154.500108.8V24 D28 R46 Y165 R166V24-E26 HydrophobicContact CG1-CG 4.43Å; E26-D28 PolarHBondContact O-N 3.31Å; E26-R46 HydrophobicContact CG-CB 4.46Å; E26-R46 HydrophobicContact CG-CG 3.99Å; E26-R46 IonicContact OE1-CZ 3.53Å; E26-R46 IonicContact OE1-NE 3.55Å; E26-R46 IonicContact OE1-NH1 3.43Å; E26-R46 PolarHBondContact OE1-NH1 2.89Å; E26-Y165 CarbonylContact O-C 3.53Å; E26-Y165 VanDerWaalsContact O-CA 3.26Å; E26-Y165 WeakPolarHBondContact O-CA 3.16Å; E26-Y165 WeakPolarHBondContact O-CB 3.33Å; E26-R166 PolarHBondContact N-O 3.09Å; E26-R166 PolarHBondContact O-N 3.03Å; E26-R166 IonicContact OE2-NH2 3.23Å; E26-R166 PolarHBondContact OE2-NH2 3.29Å; E26-R166 VanDerWaalsContact OE2-NH2 3.13Å
27S97.5Very high95.6Very high20 Ų2040.6 Ų40.614%0.1424%0.239CC..EExtended strand (participates in β ladder)trans-56.3122.4176.859.80000109.8N44 E45 T164S27-N44 WeakPolarHBondContact OG-CA 3.06Å; S27-N44 WeakPolarHBondContact OG-CB 3.31Å; S27-E45 PolarHBondContact N-O 2.88Å; S27-E45 PolarHBondContact OG-N 3.29Å; S27-T164 WeakPolarHBondContact CA-O 3.15Å
28D85.6Confident95.3Very high63 Ų6341.5 Ų41.534%0.33724%0.237SC..SBendtrans-73.5-44.7179.5-168.736.6000110.3E26 K143 T164 R166E26-D28 PolarHBondContact O-N 3.31Å; D28-K143 IonicContact OD2-NZ 3.77Å; D28-K143 PolarHBondContact OD2-NZ 3.34Å; D28-T164 PolarHBondContact N-O 2.79Å; D28-R166 HydrophobicContact CB-CB 4.43Å; D28-R166 HydrophobicContact CB-CG 4.41Å
29E95.7Very high95.1Very high125 Ų12546.6 Ų46.658%0.58427%0.27SS*.SBendtrans-122.5154.9167.2-72.9-64.2155.700109G31E29-G31 PolarHBondContact O-N 2.94Å
30P98Very high95.1Very high32 Ų3247.9 Ų47.921%0.20828%0.283CS..  trans-58.7131.2176.6-20.229.8000110.6R42 Y43 A66P30-R42 HydrophobicContact CB-CB 4.24Å; P30-R42 PolarHBondContact O-NE 3.02Å; P30-R42 PolarHBondContact O-NH2 3.15Å; P30-Y43 CarbonylContact C-O 3.59Å; P30-Y43 VanDerWaalsContact CA-O 3.23Å; P30-Y43 WeakPolarHBondContact CA-O 3.24Å; P30-A66 HydrophobicContact CB-CB 3.93Å; P30-A66 HydrophobicContact CG-CB 4.2Å
31G98.2Very high95.1Very high3 Ų350.1 Ų50.13%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-66167172.100000112.5E29 R42 Y43 H162E29-G31 PolarHBondContact O-N 2.94Å; G31-R42 VanDerWaalsContact O-CA 3.28Å; G31-R42 WeakPolarHBondContact O-CA 3.25Å; G31-R42 WeakPolarHBondContact O-CD 3.33Å; G31-Y43 PolarHBondContact N-O 3.11Å; G31-Y43 PolarHBondContact O-N 3.44Å; G31-Y43 VanDerWaalsContact O-N 3.16Å; G31-H162 CarbonylContact C-O 3.51Å; G31-H162 WeakPolarHBondContact CA-O 3.29Å
32E98.1Very high95.1Very high106 Ų10655 Ų5550%0.49531%0.312SS..EExtended strand (participates in β ladder)trans-112.5131-179.2-61.3-173165.300109.6R42 L161 H162E32-R42 IonicContact OE1-CZ 3.93Å; E32-R42 IonicContact OE1-NH1 3.21Å; E32-R42 PolarHBondContact OE1-NH1 3.14Å; E32-L161 WeakPolarHBondContact O-CA 3.49Å; E32-H162 PolarHBondContact N-O 2.87Å; E32-H162 PolarHBondContact O-N 3.1Å
33G97.4Very high95.1Very high2 Ų254 Ų542%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-121.3134.5172.600000110.1P40 F41 H160G33-P40 CarbonylContact O-C 3.52Å; G33-P40 VanDerWaalsContact O-CA 3.28Å; G33-P40 WeakPolarHBondContact O-CA 3.41Å; G33-F41 PolarHBondContact N-O 2.99Å; G33-F41 WeakPolarHBondContact O-CD1 3.48Å; G33-F41 PolarHBondContact O-N 2.88Å; G33-H160 CarbonylContact C-O 3.53Å; G33-H160 VanDerWaalsContact CA-O 3.25Å; G33-H160 WeakPolarHBondContact CA-O 3.41Å
34S94.4Very high95.2Very high52 Ų5254.5 Ų54.536%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-151.8152.6174.468.30000110.5H160S34-H160 PolarHBondContact N-O 2.84Å; S34-H160 VanDerWaalsContact O-CA 3.32Å; S34-H160 WeakPolarHBondContact O-CA 3.36Å; S34-H160 PolarHBondContact O-ND1 2.86Å
35F91Very high95.2Very high18 Ų1854.5 Ų54.58%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-157.6158.3168.3-156.2-108.2000109.1S37 I38 M150 M152 M158 H160F35-S37 PolarHBondContact O-N 2.9Å; F35-I38 HydrophobicContact CB-CD1 3.89Å; F35-I38 HydrophobicContact CB-CG1 3.8Å; F35-I38 PolarHBondContact O-N 2.88Å; F35-I38 VanDerWaalsContact O-N 3.09Å; F35-M150 HydrophobicContact CB-CE 3.97Å; F35-M150 HydrophobicContact CD1-CE 3.85Å; F35-M150 HydrophobicContact CD2-CE 3.34Å; F35-M150 HydrophobicContact CD2-CG 4.07Å; F35-M150 HydrophobicContact CE1-CE 4.17Å; F35-M150 HydrophobicContact CE2-CE 3.68Å; F35-M150 HydrophobicContact CE2-CG 3.57Å; F35-M150 WeakPolarHBondContact CE2-O 3.5Å; F35-M150 HydrophobicContact CE2-SD 4.49Å; F35-M150 HydrophobicContact CG-CE 3.43Å; F35-M150 VanDerWaalsContact CG-CE 3.43Å; F35-M150 HydrophobicContact CZ-CE 4.08Å; F35-M150 HydrophobicContact CZ-CG 4.11Å; F35-M152 HydrophobicContact CD1-CE 4.18Å; F35-M152 HydrophobicContact CD1-CG 4.5Å; F35-M152 HydrophobicContact CE1-CE 3.82Å; F35-M152 HydrophobicContact CE1-CG 3.41Å; F35-M152 VanDerWaalsContact CE1-CG 3.41Å; F35-M152 HydrophobicContact CZ-CE 4.25Å; F35-M152 HydrophobicContact CZ-CG 3.72Å; F35-M158 HydrophobicContact CD2-CE 4.36Å; F35-M158 HydrophobicContact CE1-CE 4.17Å; F35-M158 HydrophobicContact CE2-CB 4.26Å; F35-M158 HydrophobicContact CE2-CE 3.7Å; F35-M158 HydrophobicContact CZ-CE 3.59Å; F35-H160 HydrophobicContact CD2-CB 4.41Å
36S86.8Confident95.2Very high103 Ų10360 Ų6072%0.7233%0.325SS*.THydrogen-bonded Turntrans-58.6-25.8-175.456.40000114.2
37S86Confident95.2Very high78 Ų7857.7 Ų57.755%0.54531%0.314SS..THydrogen-bonded Turntrans-96.2-3.7-17960.30000115F35F35-S37 PolarHBondContact O-N 2.9Å
38I89.1Confident95.2Very high68 Ų6860 Ų6035%0.34932%0.323SS..EExtended strand (participates in β ladder)trans-135.9146.4-177.567.6-170.6000111.3F35 F41F35-I38 HydrophobicContact CB-CD1 3.89Å; F35-I38 HydrophobicContact CB-CG1 3.8Å; F35-I38 PolarHBondContact O-N 2.88Å; F35-I38 VanDerWaalsContact O-N 3.09Å; I38-F41 HydrophobicContact CD1-CD1 4.28Å; I38-F41 HydrophobicContact CD1-CE1 3.71Å
39P94.6Very high95.9Very high107 Ų10757.2 Ų57.270%0.69531%0.307SS*.EExtended strand (participates in β ladder)trans-59.2146.9171.5-22.133.6000111.4
40P96.9Very high96Very high111 Ų11152.9 Ų52.972%0.72129%0.291SS*.EExtended strand (participates in β ladder)trans-53.6142.2169.2-2534.2000111.6G33G33-P40 CarbonylContact O-C 3.52Å; G33-P40 VanDerWaalsContact O-CA 3.28Å; G33-P40 WeakPolarHBondContact O-CA 3.41Å
41F97.4Very high95.9Very high61 Ų6153.9 Ų53.927%0.26829%0.293SS..EExtended strand (participates in β ladder)trans-139.6161.6-179.764.1-87.6000111.2G33 I38 Y43 M72 H160 L161G33-F41 PolarHBondContact N-O 2.99Å; G33-F41 WeakPolarHBondContact O-CD1 3.48Å; G33-F41 PolarHBondContact O-N 2.88Å; I38-F41 HydrophobicContact CD1-CD1 4.28Å; I38-F41 HydrophobicContact CD1-CE1 3.71Å; F41-Y43 HydrophobicContact CD2-CD1 4.06Å; F41-Y43 AromaticContact CE2-CD1 3.74Å; F41-Y43 HydrophobicContact CE2-CD1 3.74Å; F41-Y43 HydrophobicContact CE2-CE1 4.3Å; F41-Y43 HydrophobicContact CE2-CG 4.45Å; F41-M72 HydrophobicContact CD2-CE 4.1Å; F41-M72 HydrophobicContact CE2-CE 4.15Å; F41-H160 AromaticContact CE1-CE1 3.98Å; F41-L161 HydrophobicContact CE2-CD2 4.37Å; F41-L161 HydrophobicContact CZ-CD2 3.92Å
42R98.4Very high95.8Very high104 Ų10457.8 Ų57.839%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-119.8140.7178.1-61.6-75.8-67.7-137.9-3.2109.7P30 G31 E32 A66P30-R42 HydrophobicContact CB-CB 4.24Å; P30-R42 PolarHBondContact O-NE 3.02Å; P30-R42 PolarHBondContact O-NH2 3.15Å; G31-R42 VanDerWaalsContact O-CA 3.28Å; G31-R42 WeakPolarHBondContact O-CA 3.25Å; G31-R42 WeakPolarHBondContact O-CD 3.33Å; E32-R42 IonicContact OE1-CZ 3.93Å; E32-R42 IonicContact OE1-NH1 3.21Å; E32-R42 PolarHBondContact OE1-NH1 3.14Å; R42-A66 HydrophobicContact CB-CB 3.79Å; R42-A66 WeakPolarHBondContact O-CB 3.39Å; R42-A66 PolarHBondContact O-N 3.24Å
43Y98.6Very high95.7Very high5 Ų553.9 Ų53.92%0.0230%0.304CS..EExtended strand (participates in β ladder)trans-143.2149.6-179.365.9-76.8000111.1P30 G31 F41 E45 A63 F64 L161 I163P30-Y43 CarbonylContact C-O 3.59Å; P30-Y43 VanDerWaalsContact CA-O 3.23Å; P30-Y43 WeakPolarHBondContact CA-O 3.24Å; G31-Y43 PolarHBondContact N-O 3.11Å; G31-Y43 PolarHBondContact O-N 3.44Å; G31-Y43 VanDerWaalsContact O-N 3.16Å; F41-Y43 HydrophobicContact CD2-CD1 4.06Å; F41-Y43 AromaticContact CE2-CD1 3.74Å; F41-Y43 HydrophobicContact CE2-CD1 3.74Å; F41-Y43 HydrophobicContact CE2-CE1 4.3Å; F41-Y43 HydrophobicContact CE2-CG 4.45Å; Y43-E45 HydrophobicContact CD2-CB 4.1Å; Y43-E45 HydrophobicContact CE2-CB 4.03Å; Y43-A63 HydrophobicContact CD2-CB 3.99Å; Y43-F64 CarbonylContact C-O 3.53Å; Y43-F64 WeakPolarHBondContact CA-O 3.36Å; Y43-F64 WeakPolarHBondContact CB-O 3.43Å; Y43-L161 HydrophobicContact CE1-CD2 3.95Å; Y43-I163 HydrophobicContact CD2-CD1 4.22Å; Y43-I163 HydrophobicContact CE2-CD1 3.63Å; Y43-I163 WeakPolarHBondContact OH-CG2 3.22Å
44N98.6Very high95.6Very high27 Ų2759.3 Ų59.314%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-94.3154.3164.2-59.9-54.2000108.3S27 A63 F64 A66 K69S27-N44 WeakPolarHBondContact OG-CA 3.06Å; S27-N44 WeakPolarHBondContact OG-CB 3.31Å; N44-A63 CarbonylContact O-C 3.56Å; N44-A63 WeakPolarHBondContact O-CA 3.44Å; N44-F64 PolarHBondContact N-O 3.06Å; N44-F64 PolarHBondContact O-N 3.11Å; N44-A66 WeakPolarHBondContact ND2-CA 3.28Å; N44-A66 PolarHBondContact ND2-O 2.86Å; N44-K69 PolarHBondContact ND2-NZ 2.99Å
45E98.7Very high95.7Very high10 Ų1059.8 Ų59.85%0.04733%0.33CS..EExtended strand (participates in β ladder)trans-146.3144.6177.7-176.6163.5-131.500111.3S27 Y43 L47 N62 I163 Y165S27-E45 PolarHBondContact N-O 2.88Å; S27-E45 PolarHBondContact OG-N 3.29Å; Y43-E45 HydrophobicContact CD2-CB 4.1Å; Y43-E45 HydrophobicContact CE2-CB 4.03Å; E45-L47 HydrophobicContact CG-CD2 3.69Å; E45-N62 WeakPolarHBondContact CA-O 3.32Å; E45-I163 HydrophobicContact CB-CD1 3.83Å; E45-Y165 HydrophobicContact CB-CE1 4.05Å; E45-Y165 HydrophobicContact CG-CE1 4.23Å; E45-Y165 PolarHBondContact OE2-OH 3.17Å
46R98.7Very high96Very high116 Ų11659.8 Ų59.844%0.43833%0.332SS..EExtended strand (participates in β ladder)trans-121.1121.8173.5-178.7170.1178.3172.80.4109.6V24 W25 E26 N62V24-R46 HydrophobicContact CG1-CG 4Å; W25-R46 CarbonylContact O-C 3.46Å; W25-R46 WeakPolarHBondContact O-CA 3.41Å; E26-R46 HydrophobicContact CG-CB 4.46Å; E26-R46 HydrophobicContact CG-CG 3.99Å; E26-R46 IonicContact OE1-CZ 3.53Å; E26-R46 IonicContact OE1-NE 3.55Å; E26-R46 IonicContact OE1-NH1 3.43Å; E26-R46 PolarHBondContact OE1-NH1 2.89Å; R46-N62 PolarHBondContact N-O 2.82Å; R46-N62 PolarHBondContact O-N 2.77Å
47L98.8Very high96.5Very high0 Ų054.9 Ų54.90%030%0.298CS..EExtended strand (participates in β ladder)trans-101142.3175-39.3-179.5000109.6V24 W25 E45 F49 F61 F136 L144 Y165V24-L47 WeakPolarHBondContact CA-O 3.31Å; W25-L47 HydrophobicContact CB-CB 4.07Å; W25-L47 HydrophobicContact CB-CD1 4.28Å; W25-L47 HydrophobicContact CB-CG 4.26Å; W25-L47 PolarHBondContact N-O 2.82Å; W25-L47 PolarHBondContact O-N 2.97Å; E45-L47 HydrophobicContact CG-CD2 3.69Å; L47-F49 HydrophobicContact CB-CD2 4.29Å; L47-F49 HydrophobicContact CB-CE2 3.73Å; L47-F49 HydrophobicContact CB-CZ 4.44Å; L47-F49 HydrophobicContact CD1-CE2 3.8Å; L47-F49 HydrophobicContact CD1-CZ 4.16Å; L47-F49 HydrophobicContact CG-CE2 4.45Å; L47-F61 HydrophobicContact CB-CD1 3.65Å; L47-F61 HydrophobicContact CB-CE1 3.82Å; L47-F61 HydrophobicContact CD1-CE1 4.31Å; L47-F61 HydrophobicContact CD2-CB 3.67Å; L47-F61 HydrophobicContact CD2-CD1 3.31Å; L47-F61 HydrophobicContact CD2-CD2 3.9Å; L47-F61 HydrophobicContact CD2-CE1 3.89Å; L47-F61 HydrophobicContact CD2-CE2 4.43Å; L47-F61 HydrophobicContact CD2-CG 3.36Å; L47-F61 HydrophobicContact CD2-CZ 4.42Å; L47-F61 HydrophobicContact CG-CD1 3.98Å; L47-F61 HydrophobicContact CG-CE1 4.22Å; L47-F61 HydrophobicContact CG-CG 4.47Å; L47-F136 HydrophobicContact CD1-CE1 4.42Å; L47-L144 HydrophobicContact CD1-CD2 3.76Å; L47-Y165 HydrophobicContact CD1-CD1 4.24Å; L47-Y165 HydrophobicContact CD1-CD2 4.04Å; L47-Y165 HydrophobicContact CD1-CE1 3.89Å; L47-Y165 HydrophobicContact CD1-CE2 3.67Å; L47-Y165 HydrophobicContact CD1-CG 4.31Å; L47-Y165 HydrophobicContact CD2-CE1 3.95Å; L47-Y165 HydrophobicContact CG-CD1 4.15Å; L47-Y165 HydrophobicContact CG-CE1 3.73Å; L47-Y165 HydrophobicContact CG-CE2 4.43Å
48H98.8Very high97.1Very high70 Ų7053 Ų5332%0.32428%0.282SS..EExtended strand (participates in β ladder)trans-129.5120.7170.2-179.8-127.5000108.7F59 M60H48-F59 CarbonylContact O-C 3.6Å; H48-F59 WeakPolarHBondContact O-CA 3.45Å; H48-M60 PolarHBondContact N-O 2.87Å; H48-M60 PolarHBondContact O-N 2.9Å
49F98.8Very high97.6Very high3 Ų350.1 Ų50.11%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-116.1127.5173-60.8-87.7000108.9L21 G23 W25 L47 I57 N58 F59 F61 I79 F136 L144L21-F49 HydrophobicContact CB-CD1 4.29Å; L21-F49 HydrophobicContact CB-CD2 4.5Å; L21-F49 HydrophobicContact CB-CG 4.24Å; L21-F49 HydrophobicContact CD2-CZ 4.24Å; L21-F49 VanDerWaalsContact O-CB 3.31Å; L21-F49 WeakPolarHBondContact O-CB 3.37Å; L21-F49 WeakPolarHBondContact O-CD2 3.16Å; L21-F49 WeakPolarHBondContact O-CG 3.26Å; G23-F49 PolarHBondContact N-O 2.81Å; G23-F49 PolarHBondContact O-N 2.94Å; W25-F49 AromaticContact CD1-CD2 3.66Å; W25-F49 AromaticContact CD1-CE2 3.8Å; W25-F49 AromaticContact NE1-CD2 3.9Å; L47-F49 HydrophobicContact CB-CD2 4.29Å; L47-F49 HydrophobicContact CB-CE2 3.73Å; L47-F49 HydrophobicContact CB-CZ 4.44Å; L47-F49 HydrophobicContact CD1-CE2 3.8Å; L47-F49 HydrophobicContact CD1-CZ 4.16Å; L47-F49 HydrophobicContact CG-CE2 4.45Å; F49-I57 HydrophobicContact CB-CG2 3.98Å; F49-I57 HydrophobicContact CD1-CG2 4.01Å; F49-N58 CarbonylContact C-O 3.55Å; F49-N58 WeakPolarHBondContact CA-O 3.37Å; F49-F59 HydrophobicContact CD1-CB 3.67Å; F49-F59 HydrophobicContact CE1-CB 3.89Å; F49-F61 HydrophobicContact CD1-CE1 4.33Å; F49-F61 AromaticContact CE1-CE1 3.55Å; F49-F61 HydrophobicContact CE1-CE1 3.55Å; F49-F61 AromaticContact CE1-CZ 3.55Å; F49-F61 HydrophobicContact CE1-CZ 3.55Å; F49-F61 AromaticContact CE2-CE1 3.89Å; F49-F61 HydrophobicContact CE2-CE1 3.89Å; F49-F61 HydrophobicContact CE2-CZ 4.34Å; F49-F61 AromaticContact CZ-CE1 3.31Å; F49-F61 HydrophobicContact CZ-CE1 3.31Å; F49-F61 AromaticContact CZ-CZ 3.37Å; F49-F61 HydrophobicContact CZ-CZ 3.37Å; F49-I79 HydrophobicContact CD1-CD1 3.97Å; F49-I79 HydrophobicContact CE1-CD1 3.87Å; F49-F136 HydrophobicContact CZ-CE1 4.44Å; F49-F136 HydrophobicContact CZ-CZ 4.48Å; F49-L144 HydrophobicContact CE2-CD2 4.16Å
50S98.1Very high97.8Very high34 Ų3448.7 Ų48.724%0.23825%0.251CS..EExtended strand (participates in β ladder)trans-143.2166.8-176.6590000111.3I57 N58S50-I57 CarbonylContact O-C 3.52Å; S50-I57 WeakPolarHBondContact O-CA 3.36Å; S50-N58 PolarHBondContact N-O 3.07Å; S50-N58 PolarHBondContact O-N 2.87Å
51H97.3Very high97.9Very high53 Ų5343.4 Ų43.425%0.24522%0.217CC..  trans-139.5164.9172.967.295.6000110.2A9 L11 L15 G53A9-H51 PolarHBondContact O-CE1 2.59Å; A9-H51 VanDerWaalsContact O-CE1 3.32Å; L11-H51 HydrophobicContact CD1-CB 4.44Å; L15-H51 HydrophobicContact CD1-CB 4.31Å; H51-G53 PolarHBondContact ND1-N 2.82Å
52V96.2Very high98Very high86 Ų8641.2 Ų41.252%0.52121%0.208SC..SBendtrans-126.622.6175.4-62.60000111.7A9 Q54A9-V52 VanDerWaalsContact CB-C 3.47Å; A9-V52 WeakPolarHBondContact CB-O 3.07Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 HydrophobicContact CG2-CB 4.47Å; V52-Q54 HydrophobicContact CG2-CG 4.17Å; V52-Q54 PolarHBondContact O-N 2.96Å
53G95Very high98Very high23 Ų2336.4 Ų36.424%0.23719%0.191CC..SBendtrans86.9-6.9-179.800000114.9E10 N12 H51E10-G53 WeakPolarHBondContact O-CA 3.38Å; N12-G53 WeakPolarHBondContact CB-O 3.31Å; N12-G53 PolarHBondContact ND2-O 3.13Å; H51-G53 PolarHBondContact ND1-N 2.82Å
54Q95.8Very high98Very high117 Ų11739.3 Ų39.355%0.54720%0.204SC..SBendtrans-72.2158.3167.7-65.8-178.58.900110.6L15 V52 V56L15-Q54 WeakPolarHBondContact CD1-O 3.45Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 HydrophobicContact CG2-CB 4.47Å; V52-Q54 HydrophobicContact CG2-CG 4.17Å; V52-Q54 PolarHBondContact O-N 2.96Å; Q54-V56 PolarHBondContact O-N 2.95Å
55P95.8Very high98Very high61 Ų6141.1 Ų41.140%0.39621%0.211SC..SBendtrans-75.548.4175.134.4-37.5000111.6A14A14-P55 HydrophobicContact CB-CB 4Å
56V97.4Very high97.9Very high18 Ų1841.3 Ų41.311%0.10922%0.215CC..  trans-146.9134.6-174.7-173.80000109.2Q54 F78 I79 R80Q54-V56 PolarHBondContact O-N 2.95Å; V56-F78 HydrophobicContact CG1-CB 3.64Å; V56-F78 HydrophobicContact CG1-CD1 3.59Å; V56-F78 HydrophobicContact CG1-CG 3.94Å; V56-I79 WeakPolarHBondContact CA-O 3.46Å; V56-R80 HydrophobicContact CG1-CG 4.39Å; V56-R80 HydrophobicContact CG2-CG 4.27Å
57I98.6Very high97.8Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-95.7129.2167.2-63.1172.4000108L15 L18 L22 F49 S50 F78 I79L15-I57 HydrophobicContact CD1-CG1 3.96Å; L15-I57 HydrophobicContact CD2-CG1 4.08Å; L18-I57 HydrophobicContact CB-CD1 3.7Å; L18-I57 HydrophobicContact CD1-CD1 4.32Å; L22-I57 HydrophobicContact CD2-CD1 4.16Å; L22-I57 HydrophobicContact CD2-CG1 4.03Å; L22-I57 HydrophobicContact CD2-CG2 4.18Å; F49-I57 HydrophobicContact CB-CG2 3.98Å; F49-I57 HydrophobicContact CD1-CG2 4.01Å; S50-I57 CarbonylContact O-C 3.52Å; S50-I57 WeakPolarHBondContact O-CA 3.36Å; I57-F78 CarbonylContact O-C 3.58Å; I57-F78 VanDerWaalsContact O-CA 3.24Å; I57-F78 WeakPolarHBondContact O-CA 3.47Å; I57-I79 HydrophobicContact CB-CB 3.96Å; I57-I79 HydrophobicContact CB-CD1 4.24Å; I57-I79 HydrophobicContact CB-CG1 3.79Å; I57-I79 HydrophobicContact CG2-CD1 4.06Å; I57-I79 HydrophobicContact CG2-CG1 3.99Å; I57-I79 PolarHBondContact N-O 3.03Å; I57-I79 PolarHBondContact O-N 3.48Å
58N98.7Very high97.7Very high39 Ų3947.6 Ų47.621%0.20925%0.252CS..EExtended strand (participates in β ladder)trans-84.5137.5167.5-46-41.7000108.3F49 S50 G77 F78F49-N58 CarbonylContact C-O 3.55Å; F49-N58 WeakPolarHBondContact CA-O 3.37Å; S50-N58 PolarHBondContact N-O 3.07Å; S50-N58 PolarHBondContact O-N 2.87Å; N58-G77 WeakPolarHBondContact CA-O 3.5Å; N58-F78 VanDerWaalsContact OD1-CD1 3.3Å; N58-F78 WeakPolarHBondContact OD1-CD1 3.32Å; N58-F78 WeakPolarHBondContact OD1-CE1 3.26Å
59F98.8Very high97.6Very high8 Ų850 Ų504%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-130.2155.2172.478.7-88.2000113.3H48 F49 F61 E75 C76 G77 F78 I79 F90 I92H48-F59 CarbonylContact O-C 3.6Å; H48-F59 WeakPolarHBondContact O-CA 3.45Å; F49-F59 HydrophobicContact CD1-CB 3.67Å; F49-F59 HydrophobicContact CE1-CB 3.89Å; F59-F61 HydrophobicContact CB-CE1 3.84Å; F59-F61 HydrophobicContact CB-CZ 4.26Å; F59-F61 AromaticContact CD2-CD1 3.8Å; F59-F61 HydrophobicContact CD2-CD1 3.8Å; F59-F61 HydrophobicContact CD2-CD2 4.17Å; F59-F61 AromaticContact CD2-CE1 3.52Å; F59-F61 HydrophobicContact CD2-CE1 3.52Å; F59-F61 AromaticContact CD2-CE2 3.87Å; F59-F61 HydrophobicContact CD2-CE2 3.87Å; F59-F61 HydrophobicContact CD2-CG 4.09Å; F59-F61 AromaticContact CD2-CZ 3.55Å; F59-F61 HydrophobicContact CD2-CZ 3.55Å; F59-F61 HydrophobicContact CE2-CD2 4.28Å; F59-F61 HydrophobicContact CE2-CE1 4.48Å; F59-F61 HydrophobicContact CE2-CE2 4.07Å; F59-F61 HydrophobicContact CE2-CZ 4.2Å; F59-F61 HydrophobicContact CG-CE1 4.02Å; F59-F61 HydrophobicContact CG-CZ 4.08Å; F59-E75 HydrophobicContact CE2-CG 4.22Å; F59-C76 VanDerWaalsContact O-CA 3.26Å; F59-C76 WeakPolarHBondContact O-CA 3.12Å; F59-C76 VanDerWaalsContact O-CB 3.31Å; F59-C76 WeakPolarHBondContact O-CB 3.31Å; F59-G77 WeakPolarHBondContact CD1-O 3.45Å; F59-G77 PolarHBondContact N-O 2.94Å; F59-G77 PolarHBondContact O-N 2.94Å; F59-G77 VanDerWaalsContact O-N 3.07Å; F59-F78 VanDerWaalsContact CE1-N 3.27Å; F59-I79 HydrophobicContact CD1-CG1 4.2Å; F59-F90 HydrophobicContact CD1-CD2 4.04Å; F59-F90 AromaticContact CD1-CE2 3.25Å; F59-F90 HydrophobicContact CD1-CE2 3.25Å; F59-F90 AromaticContact CD1-CZ 3.81Å; F59-F90 HydrophobicContact CD1-CZ 3.81Å; F59-F90 HydrophobicContact CD2-CE2 4.39Å; F59-F90 HydrophobicContact CD2-CZ 4.12Å; F59-F90 AromaticContact CE1-CD2 3.72Å; F59-F90 HydrophobicContact CE1-CD2 3.72Å; F59-F90 AromaticContact CE1-CE2 3.25Å; F59-F90 HydrophobicContact CE1-CE2 3.25Å; F59-F90 AromaticContact CE1-CZ 3.71Å; F59-F90 HydrophobicContact CE1-CZ 3.71Å; F59-F90 HydrophobicContact CE2-CE2 4.42Å; F59-F90 HydrophobicContact CE2-CZ 4.07Å; F59-F90 AromaticContact CG-CE2 3.85Å; F59-F90 HydrophobicContact CG-CE2 3.85Å; F59-F90 AromaticContact CG-CZ 4Å; F59-F90 HydrophobicContact CG-CZ 4Å; F59-F90 HydrophobicContact CZ-CD2 4.44Å; F59-F90 HydrophobicContact CZ-CE1 4.4Å; F59-F90 AromaticContact CZ-CE2 3.89Å; F59-F90 HydrophobicContact CZ-CE2 3.89Å; F59-F90 AromaticContact CZ-CZ 3.86Å; F59-F90 HydrophobicContact CZ-CZ 3.86Å; F59-I92 HydrophobicContact CE1-CG1 4.2Å; F59-I92 HydrophobicContact CE2-CG2 4.11Å; F59-I92 HydrophobicContact CZ-CB 3.89Å; F59-I92 HydrophobicContact CZ-CD1 4.3Å; F59-I92 HydrophobicContact CZ-CG1 3.67Å; F59-I92 HydrophobicContact CZ-CG2 3.65Å
60M98.8Very high97.6Very high76 Ų7656.4 Ų56.437%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-147.8125.1168.9179.6177.852.800109.9H48 E75 C76H48-M60 PolarHBondContact N-O 2.87Å; H48-M60 PolarHBondContact O-N 2.9Å; M60-E75 CarbonylContact C-O 3.59Å; M60-E75 WeakPolarHBondContact CA-O 3.35Å; M60-C76 HydrophobicContact CB-CB 4.18Å; M60-C76 HydrophobicContact CG-CB 4.28Å
61F98.8Very high97.6Very high0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-115.2135.2178.2-51.7-18.7000109.9L47 F49 F59 R74 E75 F90 F136L47-F61 HydrophobicContact CB-CD1 3.65Å; L47-F61 HydrophobicContact CB-CE1 3.82Å; L47-F61 HydrophobicContact CD1-CE1 4.31Å; L47-F61 HydrophobicContact CD2-CB 3.67Å; L47-F61 HydrophobicContact CD2-CD1 3.31Å; L47-F61 HydrophobicContact CD2-CD2 3.9Å; L47-F61 HydrophobicContact CD2-CE1 3.89Å; L47-F61 HydrophobicContact CD2-CE2 4.43Å; L47-F61 HydrophobicContact CD2-CG 3.36Å; L47-F61 HydrophobicContact CD2-CZ 4.42Å; L47-F61 HydrophobicContact CG-CD1 3.98Å; L47-F61 HydrophobicContact CG-CE1 4.22Å; L47-F61 HydrophobicContact CG-CG 4.47Å; F49-F61 HydrophobicContact CD1-CE1 4.33Å; F49-F61 AromaticContact CE1-CE1 3.55Å; F49-F61 HydrophobicContact CE1-CE1 3.55Å; F49-F61 AromaticContact CE1-CZ 3.55Å; F49-F61 HydrophobicContact CE1-CZ 3.55Å; F49-F61 AromaticContact CE2-CE1 3.89Å; F49-F61 HydrophobicContact CE2-CE1 3.89Å; F49-F61 HydrophobicContact CE2-CZ 4.34Å; F49-F61 AromaticContact CZ-CE1 3.31Å; F49-F61 HydrophobicContact CZ-CE1 3.31Å; F49-F61 AromaticContact CZ-CZ 3.37Å; F49-F61 HydrophobicContact CZ-CZ 3.37Å; F59-F61 HydrophobicContact CB-CE1 3.84Å; F59-F61 HydrophobicContact CB-CZ 4.26Å; F59-F61 AromaticContact CD2-CD1 3.8Å; F59-F61 HydrophobicContact CD2-CD1 3.8Å; F59-F61 HydrophobicContact CD2-CD2 4.17Å; F59-F61 AromaticContact CD2-CE1 3.52Å; F59-F61 HydrophobicContact CD2-CE1 3.52Å; F59-F61 AromaticContact CD2-CE2 3.87Å; F59-F61 HydrophobicContact CD2-CE2 3.87Å; F59-F61 HydrophobicContact CD2-CG 4.09Å; F59-F61 AromaticContact CD2-CZ 3.55Å; F59-F61 HydrophobicContact CD2-CZ 3.55Å; F59-F61 HydrophobicContact CE2-CD2 4.28Å; F59-F61 HydrophobicContact CE2-CE1 4.48Å; F59-F61 HydrophobicContact CE2-CE2 4.07Å; F59-F61 HydrophobicContact CE2-CZ 4.2Å; F59-F61 HydrophobicContact CG-CE1 4.02Å; F59-F61 HydrophobicContact CG-CZ 4.08Å; F61-R74 WeakPolarHBondContact O-CA 3.49Å; F61-E75 HydrophobicContact CB-CG 3.83Å; F61-E75 HydrophobicContact CD2-CG 3.8Å; F61-E75 WeakPolarHBondContact CD2-OE1 3.5Å; F61-E75 HydrophobicContact CG-CG 4.13Å; F61-E75 PolarHBondContact N-O 3.13Å; F61-E75 PolarHBondContact O-N 3.48Å; F61-E75 VanDerWaalsContact O-N 3.07Å; F61-F90 HydrophobicContact CE2-CE1 4.26Å; F61-F90 AromaticContact CE2-CZ 3.96Å; F61-F90 HydrophobicContact CE2-CZ 3.96Å; F61-F90 HydrophobicContact CZ-CE1 4.47Å; F61-F90 AromaticContact CZ-CZ 3.77Å; F61-F90 HydrophobicContact CZ-CZ 3.77Å; F61-F136 AromaticContact CE2-CZ 3.77Å; F61-F136 HydrophobicContact CE2-CZ 3.77Å; F61-F136 HydrophobicContact CZ-CE1 4.43Å; F61-F136 AromaticContact CZ-CZ 3.8Å; F61-F136 HydrophobicContact CZ-CZ 3.8Å
62N98.8Very high97.6Very high15 Ų1560 Ų608%0.0831%0.311CS..EExtended strand (participates in β ladder)trans-134.3106.9-173.6-59.8-65.3000109.8E45 R46 F64 R74E45-N62 WeakPolarHBondContact CA-O 3.32Å; R46-N62 PolarHBondContact N-O 2.82Å; R46-N62 PolarHBondContact O-N 2.77Å; N62-F64 HydrophobicContact CB-CE2 3.84Å; N62-F64 HydrophobicContact CB-CZ 4.16Å; N62-F64 WeakPolarHBondContact O-CD2 3.25Å; N62-F64 VanDerWaalsContact O-CE2 3.28Å; N62-F64 WeakPolarHBondContact O-CE2 3.3Å; N62-R74 PolarHBondContact OD1-NE 3.24Å; N62-R74 PolarHBondContact OD1-NH1 3.07Å; N62-R74 VanDerWaalsContact OD1-NH1 3.1Å; N62-R74 PolarHBondContact OD1-NH2 3.09Å
63A98.8Very high97.7Very high4 Ų458.8 Ų58.83%0.03330%0.3CS..EExtended strand (participates in β ladder)trans-89.7146.8176.300000111.6Y43 N44 M72 H73Y43-A63 HydrophobicContact CD2-CB 3.99Å; N44-A63 CarbonylContact O-C 3.56Å; N44-A63 WeakPolarHBondContact O-CA 3.44Å; A63-M72 HydrophobicContact CB-CB 4.21Å; A63-M72 PolarHBondContact O-N 2.83Å; A63-H73 HydrophobicContact CB-CB 4.25Å; A63-H73 WeakPolarHBondContact CB-O 3.35Å; A63-H73 PolarHBondContact N-O 2.78Å
64F98.6Very high97.9Very high66 Ų6662.4 Ų62.429%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-137.3145.2177.6-56.4-93.7000109.6Y43 N44 N62 A66 K69 K70 P71Y43-F64 CarbonylContact C-O 3.53Å; Y43-F64 WeakPolarHBondContact CA-O 3.36Å; Y43-F64 WeakPolarHBondContact CB-O 3.43Å; N44-F64 PolarHBondContact N-O 3.06Å; N44-F64 PolarHBondContact O-N 3.11Å; N62-F64 HydrophobicContact CB-CE2 3.84Å; N62-F64 HydrophobicContact CB-CZ 4.16Å; N62-F64 WeakPolarHBondContact O-CD2 3.25Å; N62-F64 VanDerWaalsContact O-CE2 3.28Å; N62-F64 WeakPolarHBondContact O-CE2 3.3Å; F64-A66 PolarHBondContact O-N 2.93Å; F64-K69 WeakPolarHBondContact CD1-O 3.35Å; F64-K70 CarbonylContact C-O 3.45Å; F64-K70 VanDerWaalsContact CA-O 3.31Å; F64-K70 WeakPolarHBondContact CA-O 3.36Å; F64-P71 HydrophobicContact CD1-CB 4.48Å; F64-P71 HydrophobicContact CD1-CG 4.38Å; F64-P71 HydrophobicContact CE1-CG 4.32Å
65H98.1Very high98.1Very high64 Ų6457.2 Ų57.230%0.29628%0.282SS..EExtended strand (participates in β ladder)trans-57.5135174.3-173.7-72.2000110.6E67 N68 K69 K70 M72H65-E67 VanDerWaalsContact C-N 3.33Å; H65-E67 PolarHBondContact ND1-N 2.8Å; H65-E67 PolarHBondContact O-N 3Å; H65-N68 WeakPolarHBondContact CB-OD1 3.43Å; H65-N68 PolarHBondContact ND1-N 3.07Å; H65-K69 VanDerWaalsContact O-CA 3.31Å; H65-K69 WeakPolarHBondContact O-CA 3.39Å; H65-K69 PolarHBondContact O-N 2.99Å; H65-K69 VanDerWaalsContact O-N 3.1Å; H65-K70 HydrophobicContact CB-CB 4.49Å; H65-K70 PolarHBondContact N-O 3.18Å; H65-M72 WeakPolarHBondContact CA-SD 3.37Å; H65-M72 HydrophobicContact CB-CG 4.35Å; H65-M72 HydrophobicContact CB-SD 3.9Å; H65-M72 PolarHBondContact N-SD 2.97Å; H65-M72 VanDerWaalsContact N-SD 3.35Å
66A97.8Very high98.2Very high15 Ų1557.3 Ų57.312%0.12428%0.283CS..THydrogen-bonded Turntrans-56.5-45-170.700000113.3P30 R42 N44 F64 K69P30-A66 HydrophobicContact CB-CB 3.93Å; P30-A66 HydrophobicContact CG-CB 4.2Å; R42-A66 HydrophobicContact CB-CB 3.79Å; R42-A66 WeakPolarHBondContact O-CB 3.39Å; R42-A66 PolarHBondContact O-N 3.24Å; N44-A66 WeakPolarHBondContact ND2-CA 3.28Å; N44-A66 PolarHBondContact ND2-O 2.86Å; F64-A66 PolarHBondContact O-N 2.93Å; A66-K69 WeakPolarHBondContact O-CE 3.46Å; A66-K69 PolarHBondContact O-NZ 3.03Å
67E95.9Very high98.3Very high164 Ų16457.2 Ų57.277%0.76629%0.286SS*.THydrogen-bonded Turntrans-86.4-67.2-176.4-59.6173.5-179.800112.9H65 K69H65-E67 VanDerWaalsContact C-N 3.33Å; H65-E67 PolarHBondContact ND1-N 2.8Å; H65-E67 PolarHBondContact O-N 3Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.04Å
68N96.9Very high98.3Very high83 Ų8361.8 Ų61.844%0.44431%0.306SS..THydrogen-bonded Turntrans-81.70.8-171.467.236.9000115H65 K70H65-N68 WeakPolarHBondContact CB-OD1 3.43Å; H65-N68 PolarHBondContact ND1-N 3.07Å; N68-K70 PolarHBondContact O-N 3.02Å; N68-K70 VanDerWaalsContact OD1-CB 3.26Å; N68-K70 WeakPolarHBondContact OD1-CB 3.33Å; N68-K70 VanDerWaalsContact OD1-CG 3.25Å; N68-K70 WeakPolarHBondContact OD1-CG 3.28Å; N68-K70 PolarHBondContact OD1-N 2.92Å
69K97Very high98.3Very high121 Ų12160 Ų6053%0.52630%0.296SS..  trans56.516.1177-47.5-54.2-173.9-170.40115.4N44 F64 H65 A66 E67N44-K69 PolarHBondContact ND2-NZ 2.99Å; F64-K69 WeakPolarHBondContact CD1-O 3.35Å; H65-K69 VanDerWaalsContact O-CA 3.31Å; H65-K69 WeakPolarHBondContact O-CA 3.39Å; H65-K69 PolarHBondContact O-N 2.99Å; H65-K69 VanDerWaalsContact O-N 3.1Å; A66-K69 WeakPolarHBondContact O-CE 3.46Å; A66-K69 PolarHBondContact O-NZ 3.03Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.04Å
70K98.1Very high98.3Very high138 Ų13866.2 Ų66.260%0.632%0.32SS*.  trans-62.8137.4175-73.3178.4179.5-1800110F64 H65 N68F64-K70 CarbonylContact C-O 3.45Å; F64-K70 VanDerWaalsContact CA-O 3.31Å; F64-K70 WeakPolarHBondContact CA-O 3.36Å; H65-K70 HydrophobicContact CB-CB 4.49Å; H65-K70 PolarHBondContact N-O 3.18Å; N68-K70 PolarHBondContact O-N 3.02Å; N68-K70 VanDerWaalsContact OD1-CB 3.26Å; N68-K70 WeakPolarHBondContact OD1-CB 3.33Å; N68-K70 VanDerWaalsContact OD1-CG 3.25Å; N68-K70 WeakPolarHBondContact OD1-CG 3.28Å; N68-K70 PolarHBondContact OD1-N 2.92Å
71P98.3Very high98.2Very high93 Ų9363.4 Ų63.460%0.60431%0.306SS*.EExtended strand (participates in β ladder)trans-56.4140.4173.4-24.734.2000112F64F64-P71 HydrophobicContact CD1-CB 4.48Å; F64-P71 HydrophobicContact CD1-CG 4.38Å; F64-P71 HydrophobicContact CE1-CG 4.32Å
72M98.3Very high98Very high68 Ų6869.1 Ų69.134%0.33533%0.332SS..EExtended strand (participates in β ladder)trans-122.4-125.1178.3-65.5-179.165.400110.2F41 A63 H65 N95F41-M72 HydrophobicContact CD2-CE 4.1Å; F41-M72 HydrophobicContact CE2-CE 4.15Å; A63-M72 HydrophobicContact CB-CB 4.21Å; A63-M72 PolarHBondContact O-N 2.83Å; H65-M72 WeakPolarHBondContact CA-SD 3.37Å; H65-M72 HydrophobicContact CB-CG 4.35Å; H65-M72 HydrophobicContact CB-SD 3.9Å; H65-M72 PolarHBondContact N-SD 2.97Å; H65-M72 VanDerWaalsContact N-SD 3.35Å; M72-N95 PolarHBondContact O-ND2 2.82Å
73H98.4Very high97.5Very high62 Ų6273.7 Ų73.729%0.28736%0.363SS..EExtended strand (participates in β ladder)trans-65.7145.9177-176.7-87.1000111.2A63 E75 Q94A63-H73 HydrophobicContact CB-CB 4.25Å; A63-H73 WeakPolarHBondContact CB-O 3.35Å; A63-H73 PolarHBondContact N-O 2.78Å; H73-E75 IonicContact CE1-OE2 3.41Å; H73-E75 PolarHBondContact CE1-OE2 2.91Å; H73-Q94 PolarHBondContact NE2-OE1 2.97Å
74R98.8Very high96.8Very high98 Ų9878.2 Ų78.237%0.3741%0.41SS..EExtended strand (participates in β ladder)trans-141.2137.3173.9-53.9177.372.183.2-4.3108.5F61 N62 Q94 N95F61-R74 WeakPolarHBondContact O-CA 3.49Å; N62-R74 PolarHBondContact OD1-NE 3.24Å; N62-R74 PolarHBondContact OD1-NH1 3.07Å; N62-R74 VanDerWaalsContact OD1-NH1 3.1Å; N62-R74 PolarHBondContact OD1-NH2 3.09Å; R74-Q94 CarbonylContact O-C 3.59Å; R74-Q94 WeakPolarHBondContact O-CA 3.39Å; R74-N95 HydrophobicContact CB-CB 4.11Å; R74-N95 PolarHBondContact N-OD1 2.86Å; R74-N95 PolarHBondContact O-N 2.83Å; R74-N95 PolarHBondContact O-OD1 3.19Å
75E98.8Very high96.5Very high8 Ų876.9 Ų76.94%0.03742%0.415CS..EExtended strand (participates in β ladder)trans-142.9152.5173.160.1-177.9-173.300111.9F59 M60 F61 H73 I92 A93 Q94 R134F59-E75 HydrophobicContact CE2-CG 4.22Å; M60-E75 CarbonylContact C-O 3.59Å; M60-E75 WeakPolarHBondContact CA-O 3.35Å; F61-E75 HydrophobicContact CB-CG 3.83Å; F61-E75 HydrophobicContact CD2-CG 3.8Å; F61-E75 WeakPolarHBondContact CD2-OE1 3.5Å; F61-E75 HydrophobicContact CG-CG 4.13Å; F61-E75 PolarHBondContact N-O 3.13Å; F61-E75 PolarHBondContact O-N 3.48Å; F61-E75 VanDerWaalsContact O-N 3.07Å; H73-E75 IonicContact CE1-OE2 3.41Å; H73-E75 PolarHBondContact CE1-OE2 2.91Å; E75-I92 HydrophobicContact CB-CG2 3.75Å; E75-I92 HydrophobicContact CG-CG2 4.25Å; E75-A93 VanDerWaalsContact CA-O 3.25Å; E75-A93 WeakPolarHBondContact CA-O 3.5Å; E75-Q94 HydrophobicContact CB-CG 4.03Å; E75-R134 IonicContact OE1-CZ 3.92Å; E75-R134 VanDerWaalsContact OE1-CZ 3.23Å; E75-R134 IonicContact OE1-NH1 3.61Å; E75-R134 PolarHBondContact OE1-NH1 2.88Å; E75-R134 IonicContact OE1-NH2 2.86Å; E75-R134 PolarHBondContact OE1-NH2 2.77Å; E75-R134 IonicContact OE2-NH2 3.86Å; E75-R134 PolarHBondContact OE2-NH2 3.41Å
76C98.9Very high96.4Very high63 Ų6377.4 Ų77.443%0.42642%0.42SS..EExtended strand (participates in β ladder)trans-152.9164.1176.264.60000111.3F59 M60 A93F59-C76 VanDerWaalsContact O-CA 3.26Å; F59-C76 WeakPolarHBondContact O-CA 3.12Å; F59-C76 VanDerWaalsContact O-CB 3.31Å; F59-C76 WeakPolarHBondContact O-CB 3.31Å; M60-C76 HydrophobicContact CB-CB 4.18Å; M60-C76 HydrophobicContact CG-CB 4.28Å; C76-A93 PolarHBondContact N-O 3.11Å; C76-A93 VanDerWaalsContact N-O 3.07Å; C76-A93 PolarHBondContact O-N 2.98Å
77G98.8Very high96.5Very high16 Ų1680.8 Ų80.817%0.16543%0.429CS..EExtended strand (participates in β ladder)trans156.7-137.1174.400000112.4N58 F59 I91N58-G77 WeakPolarHBondContact CA-O 3.5Å; F59-G77 WeakPolarHBondContact CD1-O 3.45Å; F59-G77 PolarHBondContact N-O 2.94Å; F59-G77 PolarHBondContact O-N 2.94Å; F59-G77 VanDerWaalsContact O-N 3.07Å; G77-I91 CarbonylContact C-O 3.55Å; G77-I91 VanDerWaalsContact CA-O 3.25Å; G77-I91 WeakPolarHBondContact CA-O 3.48Å
78F98.9Very high96.6Very high97 Ų9773 Ų7343%0.42539%0.393SS..EExtended strand (participates in β ladder)trans-136.4147.5-166.9-57.2-74000113.8V56 I57 N58 F59 I91V56-F78 HydrophobicContact CG1-CB 3.64Å; V56-F78 HydrophobicContact CG1-CD1 3.59Å; V56-F78 HydrophobicContact CG1-CG 3.94Å; I57-F78 CarbonylContact O-C 3.58Å; I57-F78 VanDerWaalsContact O-CA 3.24Å; I57-F78 WeakPolarHBondContact O-CA 3.47Å; N58-F78 VanDerWaalsContact OD1-CD1 3.3Å; N58-F78 WeakPolarHBondContact OD1-CD1 3.32Å; N58-F78 WeakPolarHBondContact OD1-CE1 3.26Å; F59-F78 VanDerWaalsContact CE1-N 3.27Å; F78-I91 PolarHBondContact N-O 3.47Å; F78-I91 PolarHBondContact O-N 3.48Å
79I98.8Very high96.7Very high1 Ų170.1 Ų70.11%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-113.3131.9169.7-29.2-161.5000108.8L18 L21 F49 V56 I57 F59 V88 A89 F90L18-I79 HydrophobicContact CD1-CG2 4.2Å; L21-I79 HydrophobicContact CD1-CD1 3.95Å; F49-I79 HydrophobicContact CD1-CD1 3.97Å; F49-I79 HydrophobicContact CE1-CD1 3.87Å; V56-I79 WeakPolarHBondContact CA-O 3.46Å; I57-I79 HydrophobicContact CB-CB 3.96Å; I57-I79 HydrophobicContact CB-CD1 4.24Å; I57-I79 HydrophobicContact CB-CG1 3.79Å; I57-I79 HydrophobicContact CG2-CD1 4.06Å; I57-I79 HydrophobicContact CG2-CG1 3.99Å; I57-I79 PolarHBondContact N-O 3.03Å; I57-I79 PolarHBondContact O-N 3.48Å; F59-I79 HydrophobicContact CD1-CG1 4.2Å; I79-V88 HydrophobicContact CG2-CG1 3.53Å; I79-A89 CarbonylContact C-O 3.5Å; I79-A89 WeakPolarHBondContact CA-O 3.29Å; I79-F90 HydrophobicContact CB-CD2 4.05Å; I79-F90 HydrophobicContact CB-CE2 4.34Å; I79-F90 HydrophobicContact CD1-CD2 3.79Å; I79-F90 HydrophobicContact CD1-CE2 3.26Å; I79-F90 HydrophobicContact CD1-CZ 4.16Å; I79-F90 HydrophobicContact CG1-CD2 3.5Å; I79-F90 HydrophobicContact CG1-CE2 3.31Å; I79-F90 HydrophobicContact CG2-CD2 4Å
80R98.3Very high96.8Very high139 Ų13964.3 Ų64.353%0.52536%0.355SS..EExtended strand (participates in β ladder)trans-125.8145.3175.1-57.6-175.766.6171-1.1109.1V56 V88 A89V56-R80 HydrophobicContact CG1-CG 4.39Å; V56-R80 HydrophobicContact CG2-CG 4.27Å; R80-V88 CarbonylContact O-C 3.56Å; R80-V88 VanDerWaalsContact O-CA 3.28Å; R80-V88 WeakPolarHBondContact O-CA 3.38Å; R80-V88 WeakPolarHBondContact O-CG1 3.49Å; R80-A89 PolarHBondContact N-O 2.84Å; R80-A89 PolarHBondContact O-N 2.86Å
81I97.2Very high96.8Very high17 Ų1760.8 Ų60.89%0.08734%0.343CS..EExtended strand (participates in β ladder)trans-120.2138.3171.7-173.5168.8000109A14 L15 A17 L18 P83 R87 V88 L106A14-I81 WeakPolarHBondContact O-CG2 3.49Å; L15-I81 HydrophobicContact CD2-CG2 4.2Å; A17-I81 HydrophobicContact CB-CD1 4.16Å; L18-I81 HydrophobicContact CD1-CB 4Å; L18-I81 HydrophobicContact CD1-CD1 4.35Å; L18-I81 HydrophobicContact CD1-CG2 4.3Å; L18-I81 HydrophobicContact CG-CD1 4.39Å; I81-P83 WeakPolarHBondContact O-CD 3.3Å; I81-R87 WeakPolarHBondContact CA-O 3.46Å; I81-V88 HydrophobicContact CB-CG2 4.23Å; I81-V88 HydrophobicContact CD1-CG2 4.19Å; I81-V88 HydrophobicContact CG1-CG2 4Å; I81-L106 HydrophobicContact CD1-CD2 4.24Å
82Q94.7Very high96.8Very high119 Ų11956.6 Ų56.656%0.55632%0.315SS*.  trans-65.6126.1175.8-176.9174.5-23.700109.3G84 G85 R87Q82-G84 PolarHBondContact O-N 2.87Å; Q82-G85 PolarHBondContact O-N 2.93Å; Q82-G85 VanDerWaalsContact O-N 3.11Å; Q82-R87 HydrophobicContact CB-CB 3.98Å; Q82-R87 PolarHBondContact N-O 3.1Å
83P87.8Confident96.8Very high112 Ų11255.4 Ų55.473%0.72732%0.316SS*.THydrogen-bonded Turntrans-55.4129.7179.1-26.935.1000112.3I81 G85I81-P83 WeakPolarHBondContact O-CD 3.3Å; P83-G85 PolarHBondContact O-N 2.87Å
84G85.4Confident96.9Very high98 Ų9854 Ų54100%1.0131%0.309SS*.THydrogen-bonded Turntrans73.16.8178.300000115.4Q82Q82-G84 PolarHBondContact O-N 2.87Å
85G92Very high96.8Very high38 Ų3853.8 Ų53.839%0.39232%0.315SS..SBendtrans-128-170.917700000112.6Q82 P83Q82-G85 PolarHBondContact O-N 2.93Å; Q82-G85 VanDerWaalsContact O-N 3.11Å; P83-G85 PolarHBondContact O-N 2.87Å
86N96.4Very high96.7Very high75 Ų7556.5 Ų56.540%0.40134%0.335SS..  trans-115.16.3176.570.2-33.7000112.9V88 D105 L106N86-V88 PolarHBondContact O-N 2.76Å; N86-D105 WeakPolarHBondContact O-CA 3.32Å; N86-L106 HydrophobicContact CB-CB 4.26Å; N86-L106 WeakPolarHBondContact CB-O 3.31Å; N86-L106 PolarHBondContact ND2-O 2.87Å; N86-L106 PolarHBondContact O-N 3.2Å
87R98.3Very high96.6Very high86 Ų8654.6 Ų54.633%0.32533%0.326SS..EExtended strand (participates in β ladder)trans-72.7125.9176.7-170.474.1-179.8170.8-1.8109.8I81 Q82 E103 G104 D105I81-R87 WeakPolarHBondContact CA-O 3.46Å; Q82-R87 HydrophobicContact CB-CB 3.98Å; Q82-R87 PolarHBondContact N-O 3.1Å; R87-E103 IonicContact CZ-OE2 2.76Å; R87-E103 IonicContact NE-OE2 3.98Å; R87-E103 PolarHBondContact NE-OE2 2.88Å; R87-E103 IonicContact NH2-OE2 2.78Å; R87-E103 PolarHBondContact NH2-OE2 2.84Å; R87-G104 CarbonylContact C-O 3.56Å; R87-G104 WeakPolarHBondContact CA-O 3.42Å; R87-G104 WeakPolarHBondContact CD-O 3.5Å; R87-D105 IonicContact NH1-OD1 3.34Å; R87-D105 IonicContact NH1-OD2 3.48Å; R87-D105 PolarHBondContact NH1-OD2 3.01Å
88V98.6Very high96.6Very high1 Ų154.3 Ų54.31%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-121.3143-177.7177.10000109.7L18 I79 R80 I81 N86 E103 G104 L106 L111 L113L18-V88 HydrophobicContact CD1-CG2 4.31Å; L18-V88 HydrophobicContact CD2-CG2 4.45Å; I79-V88 HydrophobicContact CG2-CG1 3.53Å; R80-V88 CarbonylContact O-C 3.56Å; R80-V88 VanDerWaalsContact O-CA 3.28Å; R80-V88 WeakPolarHBondContact O-CA 3.38Å; R80-V88 WeakPolarHBondContact O-CG1 3.49Å; I81-V88 HydrophobicContact CB-CG2 4.23Å; I81-V88 HydrophobicContact CD1-CG2 4.19Å; I81-V88 HydrophobicContact CG1-CG2 4Å; N86-V88 PolarHBondContact O-N 2.76Å; V88-E103 CarbonylContact O-C 3.56Å; V88-E103 VanDerWaalsContact O-CA 3.29Å; V88-E103 WeakPolarHBondContact O-CA 3.24Å; V88-G104 PolarHBondContact N-O 2.87Å; V88-G104 PolarHBondContact O-N 2.83Å; V88-L106 HydrophobicContact CG2-CB 4.13Å; V88-L111 HydrophobicContact CB-CD1 3.62Å; V88-L111 HydrophobicContact CG1-CD1 3.74Å; V88-L111 HydrophobicContact CG1-CD2 4.03Å; V88-L111 HydrophobicContact CG2-CD1 3.86Å; V88-L113 HydrophobicContact CB-CD2 4.44Å; V88-L113 HydrophobicContact CG1-CD2 4.29Å
89A98.6Very high96.6Very high22 Ų2253.2 Ų53.218%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-122.6134.9172.900000110.4I79 R80 E102 E103I79-A89 CarbonylContact C-O 3.5Å; I79-A89 WeakPolarHBondContact CA-O 3.29Å; R80-A89 PolarHBondContact N-O 2.84Å; R80-A89 PolarHBondContact O-N 2.86Å; A89-E102 CarbonylContact C-O 3.54Å; A89-E102 WeakPolarHBondContact CA-O 3.48Å; A89-E103 HydrophobicContact CB-CG 4.18Å
90F98.7Very high96.6Very high0 Ų053.3 Ų53.30%032%0.323CS..EExtended strand (participates in β ladder)trans-118.7118.4-179.8-147.3-152.8000108F59 F61 I79 I92 I101 E102 L113 F136F59-F90 HydrophobicContact CD1-CD2 4.04Å; F59-F90 AromaticContact CD1-CE2 3.25Å; F59-F90 HydrophobicContact CD1-CE2 3.25Å; F59-F90 AromaticContact CD1-CZ 3.81Å; F59-F90 HydrophobicContact CD1-CZ 3.81Å; F59-F90 HydrophobicContact CD2-CE2 4.39Å; F59-F90 HydrophobicContact CD2-CZ 4.12Å; F59-F90 AromaticContact CE1-CD2 3.72Å; F59-F90 HydrophobicContact CE1-CD2 3.72Å; F59-F90 AromaticContact CE1-CE2 3.25Å; F59-F90 HydrophobicContact CE1-CE2 3.25Å; F59-F90 AromaticContact CE1-CZ 3.71Å; F59-F90 HydrophobicContact CE1-CZ 3.71Å; F59-F90 HydrophobicContact CE2-CE2 4.42Å; F59-F90 HydrophobicContact CE2-CZ 4.07Å; F59-F90 AromaticContact CG-CE2 3.85Å; F59-F90 HydrophobicContact CG-CE2 3.85Å; F59-F90 AromaticContact CG-CZ 4Å; F59-F90 HydrophobicContact CG-CZ 4Å; F59-F90 HydrophobicContact CZ-CD2 4.44Å; F59-F90 HydrophobicContact CZ-CE1 4.4Å; F59-F90 AromaticContact CZ-CE2 3.89Å; F59-F90 HydrophobicContact CZ-CE2 3.89Å; F59-F90 AromaticContact CZ-CZ 3.86Å; F59-F90 HydrophobicContact CZ-CZ 3.86Å; F61-F90 HydrophobicContact CE2-CE1 4.26Å; F61-F90 AromaticContact CE2-CZ 3.96Å; F61-F90 HydrophobicContact CE2-CZ 3.96Å; F61-F90 HydrophobicContact CZ-CE1 4.47Å; F61-F90 AromaticContact CZ-CZ 3.77Å; F61-F90 HydrophobicContact CZ-CZ 3.77Å; I79-F90 HydrophobicContact CB-CD2 4.05Å; I79-F90 HydrophobicContact CB-CE2 4.34Å; I79-F90 HydrophobicContact CD1-CD2 3.79Å; I79-F90 HydrophobicContact CD1-CE2 3.26Å; I79-F90 HydrophobicContact CD1-CZ 4.16Å; I79-F90 HydrophobicContact CG1-CD2 3.5Å; I79-F90 HydrophobicContact CG1-CE2 3.31Å; I79-F90 HydrophobicContact CG2-CD2 4Å; F90-I92 HydrophobicContact CB-CD1 4.24Å; F90-I92 HydrophobicContact CB-CG1 4.42Å; F90-I92 HydrophobicContact CD1-CD1 3.32Å; F90-I92 HydrophobicContact CD1-CG1 4.08Å; F90-I92 HydrophobicContact CE1-CD1 3.74Å; F90-I92 HydrophobicContact CG-CD1 3.87Å; F90-I92 HydrophobicContact CG-CG1 4.15Å; F90-I101 WeakPolarHBondContact O-CA 3.25Å; F90-E102 HydrophobicContact CB-CB 4.26Å; F90-E102 PolarHBondContact N-O 3.46Å; F90-E102 PolarHBondContact O-N 3.02Å; F90-L113 HydrophobicContact CB-CD1 3.8Å; F90-L113 HydrophobicContact CB-CD2 4.41Å; F90-L113 HydrophobicContact CD1-CD1 3.63Å; F90-L113 HydrophobicContact CE1-CD1 4.48Å; F90-L113 HydrophobicContact CG-CD1 3.92Å; F90-F136 AromaticContact CE1-CE2 3.75Å; F90-F136 HydrophobicContact CE1-CE2 3.75Å; F90-F136 HydrophobicContact CE1-CZ 4.24Å; F90-F136 HydrophobicContact CZ-CE2 4.06Å; F90-F136 HydrophobicContact CZ-CZ 4.37Å
91I98.8Very high96.6Very high64 Ų6449.6 Ų49.633%0.32831%0.313SS..EExtended strand (participates in β ladder)trans-114.8116.9-173.2-57.1158.5000106.7G77 F78G77-I91 CarbonylContact C-O 3.55Å; G77-I91 VanDerWaalsContact CA-O 3.25Å; G77-I91 WeakPolarHBondContact CA-O 3.48Å; F78-I91 PolarHBondContact N-O 3.47Å; F78-I91 PolarHBondContact O-N 3.48Å
92I98.9Very high96.7Very high4 Ų448.8 Ų48.82%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-136.4139.3-160.6-36.6176.7000110.1F59 E75 F90 Q94 V99 E100 E102F59-I92 HydrophobicContact CE1-CG1 4.2Å; F59-I92 HydrophobicContact CE2-CG2 4.11Å; F59-I92 HydrophobicContact CZ-CB 3.89Å; F59-I92 HydrophobicContact CZ-CD1 4.3Å; F59-I92 HydrophobicContact CZ-CG1 3.67Å; F59-I92 HydrophobicContact CZ-CG2 3.65Å; E75-I92 HydrophobicContact CB-CG2 3.75Å; E75-I92 HydrophobicContact CG-CG2 4.25Å; F90-I92 HydrophobicContact CB-CD1 4.24Å; F90-I92 HydrophobicContact CB-CG1 4.42Å; F90-I92 HydrophobicContact CD1-CD1 3.32Å; F90-I92 HydrophobicContact CD1-CG1 4.08Å; F90-I92 HydrophobicContact CE1-CD1 3.74Å; F90-I92 HydrophobicContact CG-CD1 3.87Å; F90-I92 HydrophobicContact CG-CG1 4.15Å; I92-Q94 HydrophobicContact CG2-CG 4.33Å; I92-V99 VanDerWaalsContact O-CA 3.32Å; I92-V99 WeakPolarHBondContact O-CA 3.42Å; I92-E100 HydrophobicContact CB-CG 3.47Å; I92-E100 VanDerWaalsContact CB-CG 3.47Å; I92-E100 WeakPolarHBondContact CB-OE1 3.35Å; I92-E100 HydrophobicContact CD1-CG 3.86Å; I92-E100 VanDerWaalsContact CD1-OE1 3.25Å; I92-E100 WeakPolarHBondContact CD1-OE1 3.46Å; I92-E100 HydrophobicContact CG1-CG 3.86Å; I92-E100 HydrophobicContact CG2-CG 4.2Å; I92-E100 VanDerWaalsContact CG2-OE1 3.3Å; I92-E100 WeakPolarHBondContact CG2-OE1 3.48Å; I92-E100 PolarHBondContact N-O 3.12Å; I92-E100 PolarHBondContact O-N 3.06Å; I92-E102 HydrophobicContact CD1-CG 4.4Å
93A98.8Very high96.9Very high43 Ų4345.7 Ų45.736%0.35529%0.294SS..EExtended strand (participates in β ladder)trans-120.4129.5167.800000109.3E75 C76 V99E75-A93 VanDerWaalsContact CA-O 3.25Å; E75-A93 WeakPolarHBondContact CA-O 3.5Å; C76-A93 PolarHBondContact N-O 3.11Å; C76-A93 VanDerWaalsContact N-O 3.07Å; C76-A93 PolarHBondContact O-N 2.98Å; A93-V99 HydrophobicContact CB-CG1 4.08Å
94Q98.6Very high97.4Very high32 Ų3240.4 Ų40.415%0.1526%0.26CS..EExtended strand (participates in β ladder)trans-107.9147.9-178.7-55.2-173.49.100111.2H73 R74 E75 I92 S96 G97 L98 E100H73-Q94 PolarHBondContact NE2-OE1 2.97Å; R74-Q94 CarbonylContact O-C 3.59Å; R74-Q94 WeakPolarHBondContact O-CA 3.39Å; E75-Q94 HydrophobicContact CB-CG 4.03Å; I92-Q94 HydrophobicContact CG2-CG 4.33Å; Q94-S96 WeakPolarHBondContact CB-OG 3.45Å; Q94-S96 PolarHBondContact O-N 3.5Å; Q94-S96 PolarHBondContact OE1-OG 3.42Å; Q94-G97 PolarHBondContact O-N 3.21Å; Q94-L98 HydrophobicContact CB-CB 4.41Å; Q94-L98 PolarHBondContact N-O 2.76Å; Q94-E100 PolarHBondContact NE2-OE1 2.79Å; Q94-E100 PolarHBondContact NE2-OE2 2.87Å; Q94-E100 VanDerWaalsContact NE2-OE2 3.11Å
95N97.9Very high98Very high94 Ų9438.8 Ų38.850%0.50323%0.228SC..THydrogen-bonded Turntrans-65.6-8.9177.469.1-27.9000114.5M72 R74 G97M72-N95 PolarHBondContact O-ND2 2.82Å; R74-N95 HydrophobicContact CB-CB 4.11Å; R74-N95 PolarHBondContact N-OD1 2.86Å; R74-N95 PolarHBondContact O-N 2.83Å; R74-N95 PolarHBondContact O-OD1 3.19Å; N95-G97 PolarHBondContact O-N 2.78Å
96S96.4Very high98.3Very high65 Ų6537.7 Ų37.746%0.45521%0.213SC..THydrogen-bonded Turntrans-73.8-10.3170.859.50000113.6Q94Q94-S96 WeakPolarHBondContact CB-OG 3.45Å; Q94-S96 PolarHBondContact O-N 3.5Å; Q94-S96 PolarHBondContact OE1-OG 3.42Å
97G97.3Very high98.4Very high23 Ų2338.7 Ų38.724%0.23722%0.222CC..SBendtrans84.621-173.100000113.6Q94 N95 R120 T121Q94-G97 PolarHBondContact O-N 3.21Å; N95-G97 PolarHBondContact O-N 2.78Å; G97-R120 CarbonylContact O-C 3.39Å; G97-R120 VanDerWaalsContact O-CA 3.3Å; G97-R120 WeakPolarHBondContact O-CA 3.32Å; G97-T121 PolarHBondContact O-N 2.84Å
98L98.1Very high98.3Very high10 Ų1037.7 Ų37.75%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-98.9138.9170-174.873.2000110Q94 L118 A119 R120 V129 I132Q94-L98 HydrophobicContact CB-CB 4.41Å; Q94-L98 PolarHBondContact N-O 2.76Å; L98-L118 HydrophobicContact CD1-CB 4.47Å; L98-L118 HydrophobicContact CD1-CD2 4.39Å; L98-L118 HydrophobicContact CD2-CD2 4.47Å; L98-A119 WeakPolarHBondContact CD1-O 3.31Å; L98-R120 HydrophobicContact CD1-CB 4.13Å; L98-V129 HydrophobicContact CD1-CG1 4.17Å; L98-V129 HydrophobicContact CD2-CG1 3.48Å; L98-V129 VanDerWaalsContact CD2-CG1 3.48Å; L98-I132 HydrophobicContact CD2-CD1 4.11Å
99V98.7Very high98.3Very high74 Ų7442.2 Ų42.245%0.44826%0.26SS..EExtended strand (participates in β ladder)trans-120.6144.2164.6-62.20000109.5I92 A93 L118 A119I92-V99 VanDerWaalsContact O-CA 3.32Å; I92-V99 WeakPolarHBondContact O-CA 3.42Å; A93-V99 HydrophobicContact CB-CG1 4.08Å; V99-L118 WeakPolarHBondContact O-CA 3.42Å; V99-A119 HydrophobicContact CG2-CB 3.73Å; V99-A119 WeakPolarHBondContact CG2-O 3.45Å; V99-A119 PolarHBondContact N-O 2.91Å; V99-A119 PolarHBondContact O-N 2.89Å
100E98.6Very high98.3Very high4 Ų444.8 Ų44.82%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-142.4146.2-172.760.4-165.2173.600111.3I92 Q94 A117 L118 I132 R134I92-E100 HydrophobicContact CB-CG 3.47Å; I92-E100 VanDerWaalsContact CB-CG 3.47Å; I92-E100 WeakPolarHBondContact CB-OE1 3.35Å; I92-E100 HydrophobicContact CD1-CG 3.86Å; I92-E100 VanDerWaalsContact CD1-OE1 3.25Å; I92-E100 WeakPolarHBondContact CD1-OE1 3.46Å; I92-E100 HydrophobicContact CG1-CG 3.86Å; I92-E100 HydrophobicContact CG2-CG 4.2Å; I92-E100 VanDerWaalsContact CG2-OE1 3.3Å; I92-E100 WeakPolarHBondContact CG2-OE1 3.48Å; I92-E100 PolarHBondContact N-O 3.12Å; I92-E100 PolarHBondContact O-N 3.06Å; Q94-E100 PolarHBondContact NE2-OE1 2.79Å; Q94-E100 PolarHBondContact NE2-OE2 2.87Å; Q94-E100 VanDerWaalsContact NE2-OE2 3.11Å; E100-A117 WeakPolarHBondContact CA-O 3.26Å; E100-L118 HydrophobicContact CB-CD2 3.35Å; E100-I132 WeakPolarHBondContact OE2-CD1 2.93Å; E100-R134 IonicContact OE1-NH2 2.88Å
101I98.8Very high98.3Very high61 Ų6144.8 Ų44.831%0.31327%0.268SS..EExtended strand (participates in β ladder)trans-116.4119.7163.5-58.4176.7000105.4F90 E103 H116 A117F90-I101 WeakPolarHBondContact O-CA 3.25Å; I101-E103 HydrophobicContact CG2-CG 4.33Å; I101-H116 HydrophobicContact CG2-CB 4.21Å; I101-H116 WeakPolarHBondContact O-CA 3.26Å; I101-H116 WeakPolarHBondContact O-CB 3.29Å; I101-H116 PolarHBondContact O-N 2.85Å; I101-A117 HydrophobicContact CB-CB 4.25Å; I101-A117 HydrophobicContact CD1-CB 4.38Å; I101-A117 HydrophobicContact CG1-CB 4.49Å; I101-A117 PolarHBondContact N-O 2.77Å; I101-A117 PolarHBondContact O-N 2.92Å; I101-A117 VanDerWaalsContact O-N 3.1Å
102E98.8Very high98.3Very high0 Ų043.4 Ų43.40%026%0.262CS..EExtended strand (participates in β ladder)trans-108.8139.6169.4-52.7-179.7-155.300109.2A89 F90 I92 L113 H114 I132 R134A89-E102 CarbonylContact C-O 3.54Å; A89-E102 WeakPolarHBondContact CA-O 3.48Å; F90-E102 HydrophobicContact CB-CB 4.26Å; F90-E102 PolarHBondContact N-O 3.46Å; F90-E102 PolarHBondContact O-N 3.02Å; I92-E102 HydrophobicContact CD1-CG 4.4Å; E102-L113 HydrophobicContact CB-CB 3.97Å; E102-L113 WeakPolarHBondContact OE2-CB 3.2Å; E102-H114 CarbonylContact C-O 3.51Å; E102-H114 VanDerWaalsContact CA-O 3.26Å; E102-H114 WeakPolarHBondContact CA-O 3.36Å; E102-I132 WeakPolarHBondContact OE1-CG2 3.39Å; E102-R134 IonicContact OE1-NE 2.65Å; E102-R134 IonicContact OE1-NH2 3.43Å; E102-R134 VanDerWaalsContact OE2-CB 3.24Å; E102-R134 WeakPolarHBondContact OE2-CB 3.08Å; E102-R134 IonicContact OE2-NE 3.46Å
103E98.9Very high98.3Very high53 Ų5343.2 Ų43.225%0.24826%0.261CS..EExtended strand (participates in β ladder)trans-131153.1174.8-63.4-173.7-175.300111.3R87 V88 A89 I101 H114 H116R87-E103 IonicContact CZ-OE2 2.76Å; R87-E103 IonicContact NE-OE2 3.98Å; R87-E103 PolarHBondContact NE-OE2 2.88Å; R87-E103 IonicContact NH2-OE2 2.78Å; R87-E103 PolarHBondContact NH2-OE2 2.84Å; V88-E103 CarbonylContact O-C 3.56Å; V88-E103 VanDerWaalsContact O-CA 3.29Å; V88-E103 WeakPolarHBondContact O-CA 3.24Å; A89-E103 HydrophobicContact CB-CG 4.18Å; I101-E103 HydrophobicContact CG2-CG 4.33Å; E103-H114 PolarHBondContact N-O 3.35Å; E103-H114 PolarHBondContact O-N 3.23Å; E103-H116 HydrophobicContact CB-CB 4.49Å; E103-H116 HydrophobicContact CG-CB 4.02Å; E103-H116 IonicContact OE1-CD2 3.13Å; E103-H116 IonicContact OE1-CG 3.25Å
104G98.6Very high98.3Very high1 Ų145.9 Ų45.91%0.0127%0.266CS..EExtended strand (participates in β ladder)trans174.7-154178.400000112.1R87 V88 T112R87-G104 CarbonylContact C-O 3.56Å; R87-G104 WeakPolarHBondContact CA-O 3.42Å; R87-G104 WeakPolarHBondContact CD-O 3.5Å; V88-G104 PolarHBondContact N-O 2.87Å; V88-G104 PolarHBondContact O-N 2.83Å; G104-T112 CarbonylContact C-O 3.58Å; G104-T112 WeakPolarHBondContact CA-O 3.41Å
105D98.4Very high98.3Very high65 Ų6546.1 Ų46.135%0.34827%0.27SS..EExtended strand (participates in β ladder)trans-127.9137.6-162.4-61-74.9000111.2N86 R87 T112N86-D105 WeakPolarHBondContact O-CA 3.32Å; R87-D105 IonicContact NH1-OD1 3.34Å; R87-D105 IonicContact NH1-OD2 3.48Å; R87-D105 PolarHBondContact NH1-OD2 3.01Å; D105-T112 PolarHBondContact N-O 2.84Å; D105-T112 PolarHBondContact O-N 3.37Å; D105-T112 VanDerWaalsContact O-N 3.12Å
106L98.4Very high98.3Very high14 Ų1447.4 Ų47.47%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-89.6125170.2179.670.9000109.2A17 L18 W20 I81 N86 V88 G108 Q110 L111A17-L106 HydrophobicContact CB-CD2 3.63Å; A17-L106 WeakPolarHBondContact O-CD2 3.3Å; L18-L106 HydrophobicContact CD2-CD1 3.89Å; L18-L106 HydrophobicContact CD2-CD2 3.9Å; L18-L106 HydrophobicContact CD2-CG 4.44Å; L18-L106 HydrophobicContact CG-CD2 4.38Å; W20-L106 HydrophobicContact CZ2-CD1 3.93Å; I81-L106 HydrophobicContact CD1-CD2 4.24Å; N86-L106 HydrophobicContact CB-CB 4.26Å; N86-L106 WeakPolarHBondContact CB-O 3.31Å; N86-L106 PolarHBondContact ND2-O 2.87Å; N86-L106 PolarHBondContact O-N 3.2Å; V88-L106 HydrophobicContact CG2-CB 4.13Å; L106-G108 WeakPolarHBondContact CD1-O 3.31Å; L106-Q110 CarbonylContact C-O 3.58Å; L106-Q110 WeakPolarHBondContact CA-O 3.46Å; L106-L111 HydrophobicContact CD1-CB 4.35Å
107T98.1Very high98.4Very high97 Ų9746.2 Ų46.260%0.59527%0.267SS*.EExtended strand (participates in β ladder)trans-129.5106.6173.6-57.40000109.2Q109 Q110T107-Q109 PolarHBondContact O-N 3.1Å; T107-Q110 PolarHBondContact N-O 3.32Å; T107-Q110 WeakPolarHBondContact O-CB 3.4Å; T107-Q110 PolarHBondContact O-N 3.29Å
108G96.7Very high98.5Very high65 Ų6547.2 Ų47.267%0.6727%0.266SS*.THydrogen-bonded Turntrans60.1-120.1-169.800000110.6L106L106-G108 WeakPolarHBondContact CD1-O 3.31Å
109Q98.3Very high98.5Very high96 Ų9649.2 Ų49.245%0.44928%0.284SS..THydrogen-bonded Turntrans-10827.4175.9-58.5167.430.300112W20 T107 Q137 L138W20-Q109 HydrophobicContact CD2-CB 4.35Å; W20-Q109 HydrophobicContact CG-CG 4.42Å; W20-Q109 WeakPolarHBondContact CH2-O 3.3Å; T107-Q109 PolarHBondContact O-N 3.1Å; Q109-Q137 WeakPolarHBondContact O-CA 3.34Å; Q109-Q137 PolarHBondContact O-NE2 2.8Å; Q109-L138 HydrophobicContact CB-CB 3.93Å; Q109-L138 PolarHBondContact O-N 2.92Å
110Q98.8Very high98.4Very high76 Ų7649.7 Ų49.736%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-110125.1170.7-166.5172.296.300109.8L106 T107 V135 F136L106-Q110 CarbonylContact C-O 3.58Å; L106-Q110 WeakPolarHBondContact CA-O 3.46Å; T107-Q110 PolarHBondContact N-O 3.32Å; T107-Q110 WeakPolarHBondContact O-CB 3.4Å; T107-Q110 PolarHBondContact O-N 3.29Å; Q110-V135 HydrophobicContact CG-CG1 3.94Å; Q110-F136 CarbonylContact C-O 3.5Å; Q110-F136 VanDerWaalsContact CA-O 3.31Å; Q110-F136 WeakPolarHBondContact CA-O 3.08Å
111L98.8Very high98.4Very high0 Ų052.1 Ų52.10%029%0.293CS..EExtended strand (participates in β ladder)trans-111.2114.7171.5172.158.8000108.8W20 L21 V88 L106 L113 V135 F136W20-L111 HydrophobicContact CH2-CB 4.37Å; W20-L111 HydrophobicContact CZ2-CB 4.3Å; L21-L111 HydrophobicContact CD1-CD2 4.46Å; V88-L111 HydrophobicContact CB-CD1 3.62Å; V88-L111 HydrophobicContact CG1-CD1 3.74Å; V88-L111 HydrophobicContact CG1-CD2 4.03Å; V88-L111 HydrophobicContact CG2-CD1 3.86Å; L106-L111 HydrophobicContact CD1-CB 4.35Å; L111-L113 HydrophobicContact CD1-CD1 4.43Å; L111-L113 HydrophobicContact CD1-CD2 3.9Å; L111-L113 HydrophobicContact CD1-CG 3.94Å; L111-L113 HydrophobicContact CD2-CD1 3.95Å; L111-L113 HydrophobicContact CD2-CG 4.37Å; L111-L113 HydrophobicContact CG-CD1 3.98Å; L111-L113 HydrophobicContact CG-CD2 4.35Å; L111-L113 HydrophobicContact CG-CG 3.9Å; L111-V135 CarbonylContact O-C 3.58Å; L111-V135 VanDerWaalsContact O-CA 3.31Å; L111-V135 WeakPolarHBondContact O-CA 3.25Å; L111-F136 HydrophobicContact CB-CB 4.32Å; L111-F136 HydrophobicContact CD2-CD2 4.33Å; L111-F136 PolarHBondContact N-O 3.34Å; L111-F136 PolarHBondContact O-N 2.89Å
112T98.8Very high98.3Very high34 Ų3455.2 Ų55.221%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-110.5124.8177-62.20000109G104 D105 V135G104-T112 CarbonylContact C-O 3.58Å; G104-T112 WeakPolarHBondContact CA-O 3.41Å; D105-T112 PolarHBondContact N-O 2.84Å; D105-T112 PolarHBondContact O-N 3.37Å; D105-T112 VanDerWaalsContact O-N 3.12Å; T112-V135 HydrophobicContact CG2-CG2 4.2Å
113L98.8Very high98.2Very high0 Ų063.4 Ų63.40%036%0.356CS..EExtended strand (participates in β ladder)trans-128.7146.5-172.8-65.5163.6000110.4V88 F90 E102 L111 S133 R134V88-L113 HydrophobicContact CB-CD2 4.44Å; V88-L113 HydrophobicContact CG1-CD2 4.29Å; F90-L113 HydrophobicContact CB-CD1 3.8Å; F90-L113 HydrophobicContact CB-CD2 4.41Å; F90-L113 HydrophobicContact CD1-CD1 3.63Å; F90-L113 HydrophobicContact CE1-CD1 4.48Å; F90-L113 HydrophobicContact CG-CD1 3.92Å; E102-L113 HydrophobicContact CB-CB 3.97Å; E102-L113 WeakPolarHBondContact OE2-CB 3.2Å; L111-L113 HydrophobicContact CD1-CD1 4.43Å; L111-L113 HydrophobicContact CD1-CD2 3.9Å; L111-L113 HydrophobicContact CD1-CG 3.94Å; L111-L113 HydrophobicContact CD2-CD1 3.95Å; L111-L113 HydrophobicContact CD2-CG 4.37Å; L111-L113 HydrophobicContact CG-CD1 3.98Å; L111-L113 HydrophobicContact CG-CD2 4.35Å; L111-L113 HydrophobicContact CG-CG 3.9Å; L113-S133 CarbonylContact O-C 3.48Å; L113-S133 VanDerWaalsContact O-CA 3.28Å; L113-S133 WeakPolarHBondContact O-CA 3.45Å; L113-S133 PolarHBondContact O-OG 3.43Å; L113-R134 HydrophobicContact CB-CB 4.31Å; L113-R134 PolarHBondContact N-O 2.98Å; L113-R134 PolarHBondContact O-N 3.19Å
114H98.7Very high97.9Very high100 Ų10061.8 Ų61.846%0.46335%0.352SS..EExtended strand (participates in β ladder)trans-134146.1174.1-56.7-66.8000110.2E102 E103 H116 S133E102-H114 CarbonylContact C-O 3.51Å; E102-H114 VanDerWaalsContact CA-O 3.26Å; E102-H114 WeakPolarHBondContact CA-O 3.36Å; E103-H114 PolarHBondContact N-O 3.35Å; E103-H114 PolarHBondContact O-N 3.23Å; H114-H116 PolarHBondContact O-N 2.79Å; H114-S133 PolarHBondContact CE1-OG 3.39Å; H114-S133 VanDerWaalsContact CE1-OG 3.23Å; H114-S133 PolarHBondContact ND1-OG 3.26Å
115T98.6Very high97.5Very high36 Ų3670.8 Ų70.822%0.22139%0.391CS..EExtended strand (participates in β ladder)trans-52.2124.1174.7-62.50000112L118 I132T115-L118 HydrophobicContact CG2-CD1 3.95Å; T115-L118 HydrophobicContact CG2-CD2 3.83Å; T115-L118 HydrophobicContact CG2-CG 3.5Å; T115-I132 PolarHBondContact N-O 2.88Å; T115-I132 WeakPolarHBondContact OG1-CA 3.37Å; T115-I132 WeakPolarHBondContact OG1-CB 3.49Å; T115-I132 PolarHBondContact OG1-N 2.81Å; T115-I132 PolarHBondContact OG1-O 3.11Å
116H98.6Very high97.1Very high122 Ų12274.9 Ų74.957%0.56541%0.408SS*.EExtended strand (participates in β ladder)trans-98.4-41167.5179.671000111.3I101 E103 H114I101-H116 HydrophobicContact CG2-CB 4.21Å; I101-H116 WeakPolarHBondContact O-CA 3.26Å; I101-H116 WeakPolarHBondContact O-CB 3.29Å; I101-H116 PolarHBondContact O-N 2.85Å; E103-H116 HydrophobicContact CB-CB 4.49Å; E103-H116 HydrophobicContact CG-CB 4.02Å; E103-H116 IonicContact OE1-CD2 3.13Å; E103-H116 IonicContact OE1-CG 3.25Å; H114-H116 PolarHBondContact O-N 2.79Å
117A98.5Very high96.8Very high40 Ų4078 Ų7833%0.33143%0.429SS..EExtended strand (participates in β ladder)trans-147.9147.1178.200000112E100 I101E100-A117 WeakPolarHBondContact CA-O 3.26Å; I101-A117 HydrophobicContact CB-CB 4.25Å; I101-A117 HydrophobicContact CD1-CB 4.38Å; I101-A117 HydrophobicContact CG1-CB 4.49Å; I101-A117 PolarHBondContact N-O 2.77Å; I101-A117 PolarHBondContact O-N 2.92Å; I101-A117 VanDerWaalsContact O-N 3.1Å
118L98.3Very high96.5Very high43 Ų4375.6 Ų75.623%0.22541%0.411CS..EExtended strand (participates in β ladder)trans-132.6142.4172.4-62.9175.5000110.1L98 V99 E100 T115 Q130 I132L98-L118 HydrophobicContact CD1-CB 4.47Å; L98-L118 HydrophobicContact CD1-CD2 4.39Å; L98-L118 HydrophobicContact CD2-CD2 4.47Å; V99-L118 WeakPolarHBondContact O-CA 3.42Å; E100-L118 HydrophobicContact CB-CD2 3.35Å; T115-L118 HydrophobicContact CG2-CD1 3.95Å; T115-L118 HydrophobicContact CG2-CD2 3.83Å; T115-L118 HydrophobicContact CG2-CG 3.5Å; L118-Q130 WeakPolarHBondContact CD1-O 3.18Å; L118-I132 HydrophobicContact CD2-CD1 4.46Å
119A98.1Very high96.4Very high52 Ų5273.5 Ų73.543%0.4339%0.385SS..EExtended strand (participates in β ladder)trans-141.5155.716400000109.9L98 V99L98-A119 WeakPolarHBondContact CD1-O 3.31Å; V99-A119 HydrophobicContact CG2-CB 3.73Å; V99-A119 WeakPolarHBondContact CG2-O 3.45Å; V99-A119 PolarHBondContact N-O 2.91Å; V99-A119 PolarHBondContact O-N 2.89Å
120R98Very high96.3Very high84 Ų8472.6 Ų72.632%0.31738%0.381SS..EExtended strand (participates in β ladder)trans-143.6155.4-174.963.1-169.57085.5-5.7111.8G97 L98 A124 V129G97-R120 CarbonylContact O-C 3.39Å; G97-R120 VanDerWaalsContact O-CA 3.3Å; G97-R120 WeakPolarHBondContact O-CA 3.32Å; L98-R120 HydrophobicContact CD1-CB 4.13Å; R120-A124 HydrophobicContact CB-CB 4.03Å; R120-A124 HydrophobicContact CG-CB 4.3Å; R120-V129 PolarHBondContact NH2-O 3.43Å
121T97.9Very high96.3Very high55 Ų5574.1 Ų74.134%0.33739%0.388SS..  trans-61.8150.9170.459.40000111G97 F123 A124G97-T121 PolarHBondContact O-N 2.84Å; T121-F123 PolarHBondContact O-N 3.19Å; T121-F123 VanDerWaalsContact O-N 3.11Å; T121-A124 WeakPolarHBondContact O-CB 3.41Å; T121-A124 PolarHBondContact O-N 3Å; T121-A124 VanDerWaalsContact O-N 3.09Å; T121-A124 PolarHBondContact OG1-N 3.19Å
122S97.3Very high96.3Very high127 Ų12774.7 Ų74.789%0.88839%0.391SS*.THydrogen-bonded Turntrans-64.5-15.9-176.255.50000114.5
123F95.4Very high96.3Very high171 Ų17173.7 Ų73.775%0.7539%0.385SS*.THydrogen-bonded Turntrans-116.919.7178.856-91.3000112.1T121 K125T121-F123 PolarHBondContact O-N 3.19Å; T121-F123 VanDerWaalsContact O-N 3.11Å; F123-K125 PolarHBondContact O-N 2.77Å
124A93.8Very high96.3Very high20 Ų2073.9 Ų73.917%0.16539%0.386CS..PPolyproline II helixtrans-57.5138.7170.200000109.7R120 T121 H128R120-A124 HydrophobicContact CB-CB 4.03Å; R120-A124 HydrophobicContact CG-CB 4.3Å; T121-A124 WeakPolarHBondContact O-CB 3.41Å; T121-A124 PolarHBondContact O-N 3Å; T121-A124 VanDerWaalsContact O-N 3.09Å; T121-A124 PolarHBondContact OG1-N 3.19Å; A124-H128 PolarHBondContact O-CE1 3.28Å
125K89.7Confident96.3Very high190 Ų19071.1 Ų71.183%0.82638%0.376SS*.PPolyproline II helixtrans-67.4138.5-176.1-170.9-177.6173.7-175.30111F123 H128F123-K125 PolarHBondContact O-N 2.77Å; K125-H128 PolarHBondContact O-ND1 3.25Å
126E90.2Very high96.3Very high150 Ų15069.4 Ų69.470%0.70137%0.366SS*.SBendtrans-82.1153.5168.9-72.4179-169.800112
127P90.8Very high96.3Very high80 Ų8065.8 Ų65.852%0.51935%0.349SS..SBendcis-74.2151.9-1.631.2-35.7000112.7M152P127-M152 HydrophobicContact CB-SD 4.12Å; P127-M152 HydrophobicContact CG-CE 4.48Å; P127-M152 HydrophobicContact CG-CG 4.49Å; P127-M152 HydrophobicContact CG-SD 3.96Å
128H93.3Very high96.3Very high46 Ų4665 Ų6521%0.21334%0.339CS..PPolyproline II helixtrans-86.2134.4-179.9-62.4-30.1000112.2A124 K125 E153A124-H128 PolarHBondContact O-CE1 3.28Å; K125-H128 PolarHBondContact O-ND1 3.25Å; H128-E153 PolarHBondContact O-N 2.85Å
129V94.7Very high96.3Very high21 Ų2167 Ų6713%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-67.2135.7164.565.50000110.1L98 R120 Q131 I132 M150L98-V129 HydrophobicContact CD1-CG1 4.17Å; L98-V129 HydrophobicContact CD2-CG1 3.48Å; L98-V129 VanDerWaalsContact CD2-CG1 3.48Å; R120-V129 PolarHBondContact NH2-O 3.43Å; V129-Q131 WeakPolarHBondContact CG2-O 3.23Å; V129-I132 HydrophobicContact CG1-CD1 4.21Å; V129-I132 HydrophobicContact CG2-CD1 3.85Å; V129-I132 HydrophobicContact CG2-CG1 3.54Å; V129-M150 HydrophobicContact CG2-CB 3.89Å
130Q96.4Very high96.3Very high77 Ų7771.5 Ų71.536%0.3637%0.368SS..EExtended strand (participates in β ladder)trans-115.6-27.7-179.3-62.6-63.4-12.100112.6L118 A151 E153L118-Q130 WeakPolarHBondContact CD1-O 3.18Å; Q130-A151 PolarHBondContact N-O 2.65Å; Q130-E153 HydrophobicContact CG-CB 4.14Å
131Q97.8Very high96.2Very high108 Ų10871.6 Ų71.651%0.50538%0.375SS..EExtended strand (participates in β ladder)trans-142.4143.8176.3-54.7-179.2-61.900109.7V129 M150 A151 L157V129-Q131 WeakPolarHBondContact CG2-O 3.23Å; Q131-M150 CarbonylContact O-C 3.57Å; Q131-M150 WeakPolarHBondContact O-CA 3.04Å; Q131-A151 HydrophobicContact CB-CB 3.97Å; Q131-A151 HydrophobicContact CG-CB 4.41Å; Q131-A151 PolarHBondContact N-O 2.87Å; Q131-A151 PolarHBondContact O-N 3.39Å; Q131-L157 HydrophobicContact CB-CD1 4.29Å
132I98.4Very high96.2Very high13 Ų1370.9 Ų70.97%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-132.3142174.5-64.2166.7000107.1L98 E100 E102 T115 L118 V129 V148 S149 M150L98-I132 HydrophobicContact CD2-CD1 4.11Å; E100-I132 WeakPolarHBondContact OE2-CD1 2.93Å; E102-I132 WeakPolarHBondContact OE1-CG2 3.39Å; T115-I132 PolarHBondContact N-O 2.88Å; T115-I132 WeakPolarHBondContact OG1-CA 3.37Å; T115-I132 WeakPolarHBondContact OG1-CB 3.49Å; T115-I132 PolarHBondContact OG1-N 2.81Å; T115-I132 PolarHBondContact OG1-O 3.11Å; L118-I132 HydrophobicContact CD2-CD1 4.46Å; V129-I132 HydrophobicContact CG1-CD1 4.21Å; V129-I132 HydrophobicContact CG2-CD1 3.85Å; V129-I132 HydrophobicContact CG2-CG1 3.54Å; I132-V148 HydrophobicContact CG2-CG1 3.93Å; I132-S149 CarbonylContact C-O 3.5Å; I132-S149 WeakPolarHBondContact CA-O 3.49Å; I132-M150 HydrophobicContact CG1-CB 4.27Å
133S98.6Very high96.2Very high12 Ų1267.9 Ų67.98%0.08435%0.35CS..EExtended strand (participates in β ladder)trans-132.4135.7170.2-178.10000107.8L113 H114 V148 S149L113-S133 CarbonylContact O-C 3.48Å; L113-S133 VanDerWaalsContact O-CA 3.28Å; L113-S133 WeakPolarHBondContact O-CA 3.45Å; L113-S133 PolarHBondContact O-OG 3.43Å; H114-S133 PolarHBondContact CE1-OG 3.39Å; H114-S133 VanDerWaalsContact CE1-OG 3.23Å; H114-S133 PolarHBondContact ND1-OG 3.26Å; S133-V148 CarbonylContact O-C 3.53Å; S133-V148 WeakPolarHBondContact O-CA 3.44Å; S133-S149 PolarHBondContact N-O 3.09Å; S133-S149 PolarHBondContact O-N 3.5Å
134R98.7Very high96.4Very high4 Ų459.7 Ų59.72%0.01531%0.314CS..EExtended strand (participates in β ladder)trans-127.8137.2-179-171.1178.1-60.4-126.311.5110.2E75 E100 E102 L113 F136 Q146 T147 V148E75-R134 IonicContact OE1-CZ 3.92Å; E75-R134 VanDerWaalsContact OE1-CZ 3.23Å; E75-R134 IonicContact OE1-NH1 3.61Å; E75-R134 PolarHBondContact OE1-NH1 2.88Å; E75-R134 IonicContact OE1-NH2 2.86Å; E75-R134 PolarHBondContact OE1-NH2 2.77Å; E75-R134 IonicContact OE2-NH2 3.86Å; E75-R134 PolarHBondContact OE2-NH2 3.41Å; E100-R134 IonicContact OE1-NH2 2.88Å; E102-R134 IonicContact OE1-NE 2.65Å; E102-R134 IonicContact OE1-NH2 3.43Å; E102-R134 VanDerWaalsContact OE2-CB 3.24Å; E102-R134 WeakPolarHBondContact OE2-CB 3.08Å; E102-R134 IonicContact OE2-NE 3.46Å; L113-R134 HydrophobicContact CB-CB 4.31Å; L113-R134 PolarHBondContact N-O 2.98Å; L113-R134 PolarHBondContact O-N 3.19Å; R134-F136 HydrophobicContact CG-CD2 4.15Å; R134-F136 HydrophobicContact CG-CE2 3.84Å; R134-F136 HydrophobicContact CG-CZ 4.35Å; R134-Q146 HydrophobicContact CG-CG 4.45Å; R134-T147 WeakPolarHBondContact CA-O 3.31Å; R134-V148 HydrophobicContact CG-CG2 4.29Å
135V98.9Very high96.6Very high42 Ų4261 Ų6126%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-123.8125.9170.2-177.40000108.1Q110 L111 T112 Q146 T147Q110-V135 HydrophobicContact CG-CG1 3.94Å; L111-V135 CarbonylContact O-C 3.58Å; L111-V135 VanDerWaalsContact O-CA 3.31Å; L111-V135 WeakPolarHBondContact O-CA 3.25Å; T112-V135 HydrophobicContact CG2-CG2 4.2Å; V135-Q146 VanDerWaalsContact O-CA 3.29Å; V135-Q146 WeakPolarHBondContact O-CA 3.36Å; V135-T147 PolarHBondContact N-O 3.28Å; V135-T147 PolarHBondContact O-N 3.27Å
136F98.8Very high97Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-107.7138.1163.5-70.3-78.8000109.7W20 L47 F49 F61 F90 Q110 L111 R134 L144 E145 Q146W20-F136 HydrophobicContact CH2-CB 4.02Å; W20-F136 HydrophobicContact CZ3-CB 4.44Å; L47-F136 HydrophobicContact CD1-CE1 4.42Å; F49-F136 HydrophobicContact CZ-CE1 4.44Å; F49-F136 HydrophobicContact CZ-CZ 4.48Å; F61-F136 AromaticContact CE2-CZ 3.77Å; F61-F136 HydrophobicContact CE2-CZ 3.77Å; F61-F136 HydrophobicContact CZ-CE1 4.43Å; F61-F136 AromaticContact CZ-CZ 3.8Å; F61-F136 HydrophobicContact CZ-CZ 3.8Å; F90-F136 AromaticContact CE1-CE2 3.75Å; F90-F136 HydrophobicContact CE1-CE2 3.75Å; F90-F136 HydrophobicContact CE1-CZ 4.24Å; F90-F136 HydrophobicContact CZ-CE2 4.06Å; F90-F136 HydrophobicContact CZ-CZ 4.37Å; Q110-F136 CarbonylContact C-O 3.5Å; Q110-F136 VanDerWaalsContact CA-O 3.31Å; Q110-F136 WeakPolarHBondContact CA-O 3.08Å; L111-F136 HydrophobicContact CB-CB 4.32Å; L111-F136 HydrophobicContact CD2-CD2 4.33Å; L111-F136 PolarHBondContact N-O 3.34Å; L111-F136 PolarHBondContact O-N 2.89Å; R134-F136 HydrophobicContact CG-CD2 4.15Å; R134-F136 HydrophobicContact CG-CE2 3.84Å; R134-F136 HydrophobicContact CG-CZ 4.35Å; F136-L144 HydrophobicContact CB-CD1 4.34Å; F136-L144 HydrophobicContact CD1-CD1 4.18Å; F136-L144 HydrophobicContact CD1-CD2 4.41Å; F136-L144 HydrophobicContact CD1-CG 4.43Å; F136-E145 CarbonylContact C-O 3.6Å; F136-E145 VanDerWaalsContact CA-O 3.3Å; F136-E145 WeakPolarHBondContact CA-O 3.37Å; F136-Q146 HydrophobicContact CD1-CB 3.9Å; F136-Q146 HydrophobicContact CD1-CG 4.02Å; F136-Q146 HydrophobicContact CE1-CB 3.86Å; F136-Q146 HydrophobicContact CE1-CG 3.67Å; F136-Q146 HydrophobicContact CZ-CG 4.16Å
137Q98.8Very high97.4Very high47 Ų4746.3 Ų46.322%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-136.5124.2175.4176.467.465.500109.7Q109 R139 E145Q109-Q137 WeakPolarHBondContact O-CA 3.34Å; Q109-Q137 PolarHBondContact O-NE2 2.8Å; Q137-R139 HydrophobicContact CG-CG 4.36Å; Q137-E145 HydrophobicContact CB-CB 4.45Å; Q137-E145 PolarHBondContact N-O 3.41Å; Q137-E145 PolarHBondContact O-N 3Å
138L98.7Very high97.8Very high22 Ų2243 Ų4312%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-81.3116.6160.9-175.957.4000108.8W20 W25 Q109 G142W20-L138 HydrophobicContact CB-CD2 3.7Å; W20-L138 HydrophobicContact CD2-CB 4.27Å; W20-L138 HydrophobicContact CE3-CB 3.6Å; W20-L138 HydrophobicContact CE3-CD2 4.42Å; W20-L138 HydrophobicContact CG-CD2 4.47Å; W20-L138 HydrophobicContact CZ3-CB 3.96Å; W25-L138 HydrophobicContact CH2-CD1 3.79Å; W25-L138 HydrophobicContact CZ3-CD1 4.48Å; Q109-L138 HydrophobicContact CB-CB 3.93Å; Q109-L138 PolarHBondContact O-N 2.92Å; L138-G142 WeakPolarHBondContact CD1-O 3.33Å
139R98.1Very high98.1Very high87 Ų8742 Ų4233%0.32823%0.23SC..  trans-79.7158.4-178.6-69.7167.350.4134.32.4111Q137 D141 G142 K143 E145Q137-R139 HydrophobicContact CG-CG 4.36Å; R139-D141 WeakPolarHBondContact CB-OD1 3.34Å; R139-D141 IonicContact CZ-OD2 3.42Å; R139-D141 IonicContact NE-OD1 3.85Å; R139-D141 PolarHBondContact NE-OD1 3.21Å; R139-D141 IonicContact NE-OD2 3.92Å; R139-D141 PolarHBondContact NE-OD2 2.89Å; R139-D141 IonicContact NH2-OD2 3.28Å; R139-D141 PolarHBondContact NH2-OD2 2.89Å; R139-D141 PolarHBondContact O-N 2.82Å; R139-D141 VanDerWaalsContact O-N 3.13Å; R139-G142 PolarHBondContact O-N 2.85Å; R139-K143 WeakPolarHBondContact CB-O 3.4Å; R139-K143 PolarHBondContact N-O 2.86Å; R139-E145 HydrophobicContact CG-CB 4.37Å; R139-E145 IonicContact NH1-OE1 2.74Å; R139-E145 PolarHBondContact NH1-OE1 3.04Å
140P97.5Very high98.2Very high145 Ų14542.1 Ų42.194%0.94223%0.229SC*.THydrogen-bonded Turntrans-59.4-23.8177.2-25.235.1000114.7G142P140-G142 PolarHBondContact O-N 2.95Å
141D96.6Very high98.2Very high86 Ų8638.5 Ų38.546%0.4621%0.212SC..THydrogen-bonded Turntrans-80.43.617559.812.4000113.3R139 K143R139-D141 WeakPolarHBondContact CB-OD1 3.34Å; R139-D141 IonicContact CZ-OD2 3.42Å; R139-D141 IonicContact NE-OD1 3.85Å; R139-D141 PolarHBondContact NE-OD1 3.21Å; R139-D141 IonicContact NE-OD2 3.92Å; R139-D141 PolarHBondContact NE-OD2 2.89Å; R139-D141 IonicContact NH2-OD2 3.28Å; R139-D141 PolarHBondContact NH2-OD2 2.89Å; R139-D141 PolarHBondContact O-N 2.82Å; R139-D141 VanDerWaalsContact O-N 3.13Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 3.16Å; D141-K143 WeakPolarHBondContact OD1-CB 3.34Å; D141-K143 PolarHBondContact OD1-N 2.95Å; D141-K143 VanDerWaalsContact OD1-N 3.09Å
142G97.2Very high98Very high41 Ų4135 Ų3542%0.42320%0.196SC..SBendtrans80.84.5179.400000114.4W25 L138 R139 P140W25-G142 WeakPolarHBondContact CZ3-O 3.36Å; L138-G142 WeakPolarHBondContact CD1-O 3.33Å; R139-G142 PolarHBondContact O-N 2.85Å; P140-G142 PolarHBondContact O-N 2.95Å
143K98.3Very high97.4Very high63 Ų6341.5 Ų41.527%0.27423%0.227SC..  trans-83.4138.6175.6-61.8-170.9-175.6-167.30111.2D28 R139 D141 Y165D28-K143 IonicContact OD2-NZ 3.77Å; D28-K143 PolarHBondContact OD2-NZ 3.34Å; R139-K143 WeakPolarHBondContact CB-O 3.4Å; R139-K143 PolarHBondContact N-O 2.86Å; D141-K143 VanDerWaalsContact C-N 3.3Å; D141-K143 PolarHBondContact O-N 3.16Å; D141-K143 WeakPolarHBondContact OD1-CB 3.34Å; D141-K143 PolarHBondContact OD1-N 2.95Å; D141-K143 VanDerWaalsContact OD1-N 3.09Å; K143-Y165 VanDerWaalsContact CA-O 3.29Å; K143-Y165 WeakPolarHBondContact CA-O 3.37Å; K143-Y165 WeakPolarHBondContact CB-O 3.25Å
144L98.7Very high96.8Very high0 Ų045.4 Ų45.40%027%0.268CS..EExtended strand (participates in β ladder)trans-82.4138.5167.7-179.563.7000108.4W20 L21 W25 L47 F49 F136 T164 Y165W20-L144 HydrophobicContact CE3-CD1 4.31Å; W20-L144 HydrophobicContact CZ3-CD1 3.61Å; L21-L144 HydrophobicContact CD2-CD1 4.2Å; W25-L144 HydrophobicContact CB-CD2 4.48Å; W25-L144 HydrophobicContact CD2-CB 3.83Å; W25-L144 HydrophobicContact CD2-CD2 3.85Å; W25-L144 HydrophobicContact CE3-CB 3.53Å; W25-L144 HydrophobicContact CE3-CD2 4.41Å; W25-L144 HydrophobicContact CG-CD2 3.88Å; W25-L144 HydrophobicContact CH2-CB 3.88Å; W25-L144 HydrophobicContact CZ2-CB 4.12Å; W25-L144 HydrophobicContact CZ2-CD2 4.41Å; W25-L144 HydrophobicContact CZ3-CB 3.58Å; L47-L144 HydrophobicContact CD1-CD2 3.76Å; F49-L144 HydrophobicContact CE2-CD2 4.16Å; F136-L144 HydrophobicContact CB-CD1 4.34Å; F136-L144 HydrophobicContact CD1-CD1 4.18Å; F136-L144 HydrophobicContact CD1-CD2 4.41Å; F136-L144 HydrophobicContact CD1-CG 4.43Å; L144-T164 CarbonylContact O-C 3.6Å; L144-T164 VanDerWaalsContact O-CA 3.31Å; L144-T164 WeakPolarHBondContact O-CA 3.47Å; L144-Y165 HydrophobicContact CB-CD2 4.04Å; L144-Y165 HydrophobicContact CD2-CD2 4.18Å; L144-Y165 HydrophobicContact CG-CD2 3.99Å; L144-Y165 PolarHBondContact N-O 3.35Å; L144-Y165 VanDerWaalsContact N-O 3.07Å; L144-Y165 WeakPolarHBondContact O-CD2 3.32Å; L144-Y165 PolarHBondContact O-N 3.05Å
145E98.6Very high96.4Very high46 Ų4646.7 Ų46.722%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-124139.1175.4-176.8169.4-105.900108.9F136 Q137 R139 H162 I163 T164F136-E145 CarbonylContact C-O 3.6Å; F136-E145 VanDerWaalsContact CA-O 3.3Å; F136-E145 WeakPolarHBondContact CA-O 3.37Å; Q137-E145 HydrophobicContact CB-CB 4.45Å; Q137-E145 PolarHBondContact N-O 3.41Å; Q137-E145 PolarHBondContact O-N 3Å; R139-E145 HydrophobicContact CG-CB 4.37Å; R139-E145 IonicContact NH1-OE1 2.74Å; R139-E145 PolarHBondContact NH1-OE1 3.04Å; E145-H162 IonicContact OE1-CE1 3.61Å; E145-H162 PolarHBondContact OE1-CE1 2.81Å; E145-H162 IonicContact OE1-NE2 3.97Å; E145-I163 WeakPolarHBondContact CA-O 3.4Å; E145-T164 HydrophobicContact CB-CG2 4.16Å; E145-T164 HydrophobicContact CG-CG2 3.93Å
146Q98.8Very high96.2Very high3 Ų348.9 Ų48.91%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-130.1132.9176.7-179.4-175.7-25.600110.1R134 V135 F136 V148 H162 I163 Y165R134-Q146 HydrophobicContact CG-CG 4.45Å; V135-Q146 VanDerWaalsContact O-CA 3.29Å; V135-Q146 WeakPolarHBondContact O-CA 3.36Å; F136-Q146 HydrophobicContact CD1-CB 3.9Å; F136-Q146 HydrophobicContact CD1-CG 4.02Å; F136-Q146 HydrophobicContact CE1-CB 3.86Å; F136-Q146 HydrophobicContact CE1-CG 3.67Å; F136-Q146 HydrophobicContact CZ-CG 4.16Å; Q146-V148 HydrophobicContact CG-CG2 4.13Å; Q146-V148 VanDerWaalsContact NE2-CG2 3.28Å; Q146-H162 WeakPolarHBondContact O-CA 3.37Å; Q146-I163 HydrophobicContact CB-CG2 4.04Å; Q146-I163 PolarHBondContact N-O 3.02Å; Q146-I163 PolarHBondContact O-N 2.74Å; Q146-Y165 HydrophobicContact CB-CE2 3.81Å; Q146-Y165 PolarHBondContact OE1-OH 2.9Å
147T98.8Very high96.1Very high30 Ų3052.6 Ų52.618%0.18432%0.317CS..EExtended strand (participates in β ladder)trans-122.6130167.5-60.20000108.7R134 V135 Q159 L161 H162R134-T147 WeakPolarHBondContact CA-O 3.31Å; V135-T147 PolarHBondContact N-O 3.28Å; V135-T147 PolarHBondContact O-N 3.27Å; T147-Q159 HydrophobicContact CG2-CG 3.93Å; T147-L161 CarbonylContact C-O 3.52Å; T147-L161 WeakPolarHBondContact CA-O 3.35Å; T147-H162 PolarHBondContact OG1-ND1 2.87Å
148V98.7Very high95.9Very high11 Ų1153.4 Ų53.47%0.06732%0.322CS..EExtended strand (participates in β ladder)trans-117.6126.3172.7-173.60000108.2I132 S133 R134 Q146 H160 L161I132-V148 HydrophobicContact CG2-CG1 3.93Å; S133-V148 CarbonylContact O-C 3.53Å; S133-V148 WeakPolarHBondContact O-CA 3.44Å; R134-V148 HydrophobicContact CG-CG2 4.29Å; Q146-V148 HydrophobicContact CG-CG2 4.13Å; Q146-V148 VanDerWaalsContact NE2-CG2 3.28Å; V148-H160 WeakPolarHBondContact O-CA 3.29Å; V148-H160 PolarHBondContact O-N 3.23Å; V148-L161 HydrophobicContact CB-CB 3.96Å; V148-L161 HydrophobicContact CB-CD1 4.16Å; V148-L161 HydrophobicContact CB-CG 4.25Å; V148-L161 HydrophobicContact CG2-CB 4.26Å; V148-L161 HydrophobicContact CG2-CD1 4.16Å; V148-L161 PolarHBondContact N-O 2.78Å; V148-L161 PolarHBondContact O-N 2.9Å
149S98.6Very high95.9Very high24 Ų2457.2 Ų57.217%0.16834%0.339CS..EExtended strand (participates in β ladder)trans-111.3145.5169.9-58.80000109.3I132 S133 M158 Q159I132-S149 CarbonylContact C-O 3.5Å; I132-S149 WeakPolarHBondContact CA-O 3.49Å; S133-S149 PolarHBondContact N-O 3.09Å; S133-S149 PolarHBondContact O-N 3.5Å; S149-M158 CarbonylContact C-O 3.55Å; S149-M158 WeakPolarHBondContact CA-O 3.4Å; S149-M158 WeakPolarHBondContact CB-O 3.28Å; S149-Q159 WeakPolarHBondContact OG-CA 3.36Å
150M97.1Very high95.9Very high23 Ų2354.5 Ų54.511%0.11333%0.33CS..EExtended strand (participates in β ladder)trans-137.7154.3175.675.3-177.2172.900111.9F35 V129 Q131 I132 M152 M158 H160F35-M150 HydrophobicContact CB-CE 3.97Å; F35-M150 HydrophobicContact CD1-CE 3.85Å; F35-M150 HydrophobicContact CD2-CE 3.34Å; F35-M150 HydrophobicContact CD2-CG 4.07Å; F35-M150 HydrophobicContact CE1-CE 4.17Å; F35-M150 HydrophobicContact CE2-CE 3.68Å; F35-M150 HydrophobicContact CE2-CG 3.57Å; F35-M150 WeakPolarHBondContact CE2-O 3.5Å; F35-M150 HydrophobicContact CE2-SD 4.49Å; F35-M150 HydrophobicContact CG-CE 3.43Å; F35-M150 VanDerWaalsContact CG-CE 3.43Å; F35-M150 HydrophobicContact CZ-CE 4.08Å; F35-M150 HydrophobicContact CZ-CG 4.11Å; V129-M150 HydrophobicContact CG2-CB 3.89Å; Q131-M150 CarbonylContact O-C 3.57Å; Q131-M150 WeakPolarHBondContact O-CA 3.04Å; I132-M150 HydrophobicContact CG1-CB 4.27Å; M150-M152 HydrophobicContact CE-CE 3.46Å; M150-M152 VanDerWaalsContact CE-CE 3.46Å; M150-M152 HydrophobicContact SD-CE 3.8Å; M150-M158 PolarHBondContact N-O 2.88Å; M150-M158 PolarHBondContact O-N 2.84Å; M150-H160 HydrophobicContact CE-CB 4.1Å; M150-H160 VanDerWaalsContact CE-CD2 3.47Å; M150-H160 WeakPolarHBondContact CE-CD2 3.28Å; M150-H160 VanDerWaalsContact CE-CG 3.44Å; M150-H160 HydrophobicContact CG-CB 3.97Å; M150-H160 HydrophobicContact SD-CB 4.25Å; M150-H160 VanDerWaalsContact SD-CD2 3.57Å
151A96.4Very high95.9Very high1 Ų149.1 Ų49.11%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-119.8133171.500000109.3Q130 Q131 L157Q130-A151 PolarHBondContact N-O 2.65Å; Q131-A151 HydrophobicContact CB-CB 3.97Å; Q131-A151 HydrophobicContact CG-CB 4.41Å; Q131-A151 PolarHBondContact N-O 2.87Å; Q131-A151 PolarHBondContact O-N 3.39Å; A151-L157 HydrophobicContact CB-CB 4.43Å; A151-L157 HydrophobicContact CB-CD1 4.29Å
152M93.2Very high96Very high34 Ų3447.6 Ų47.617%0.16728%0.283CS..EExtended strand (participates in β ladder)trans-85.4170.8167.2-62.2-65.1171.500109.8F35 P127 M150 G154 G155F35-M152 HydrophobicContact CD1-CE 4.18Å; F35-M152 HydrophobicContact CD1-CG 4.5Å; F35-M152 HydrophobicContact CE1-CE 3.82Å; F35-M152 HydrophobicContact CE1-CG 3.41Å; F35-M152 VanDerWaalsContact CE1-CG 3.41Å; F35-M152 HydrophobicContact CZ-CE 4.25Å; F35-M152 HydrophobicContact CZ-CG 3.72Å; P127-M152 HydrophobicContact CB-SD 4.12Å; P127-M152 HydrophobicContact CG-CE 4.48Å; P127-M152 HydrophobicContact CG-CG 4.49Å; P127-M152 HydrophobicContact CG-SD 3.96Å; M150-M152 HydrophobicContact CE-CE 3.46Å; M150-M152 VanDerWaalsContact CE-CE 3.46Å; M150-M152 HydrophobicContact SD-CE 3.8Å; M152-G154 PolarHBondContact O-N 3.4Å; M152-G155 PolarHBondContact O-N 3.49Å
153E86.8Confident96.1Very high151 Ų15145.8 Ų45.871%0.70626%0.264SS*.THydrogen-bonded Turntrans-51.6124.5173.7-172.2166.2-162.200112.5H128 Q130 G155H128-E153 PolarHBondContact O-N 2.85Å; Q130-E153 HydrophobicContact CG-CB 4.14Å; E153-G155 PolarHBondContact O-N 2.86Å; E153-G155 VanDerWaalsContact O-N 3.15Å
154G85.1Confident96.1Very high93 Ų9344.2 Ų44.296%0.95926%0.259SS*.THydrogen-bonded Turntrans70.5-0.8-17900000116M152M152-G154 PolarHBondContact O-N 3.4Å
155G90.4Very high96.1Very high31 Ų3144.2 Ų44.232%0.3226%0.259SS..PPolyproline II helixtrans-99.5160.2-178.300000113.9M152 E153M152-G155 PolarHBondContact O-N 3.49Å; E153-G155 PolarHBondContact O-N 2.86Å; E153-G155 VanDerWaalsContact O-N 3.15Å
156P94.6Very high96.1Very high89 Ų8947.3 Ų47.358%0.57827%0.269SS*.PPolyproline II helixtrans-73.1159.117331.9-34.6000111.6M158P156-M158 HydrophobicContact CG-CG 4.04Å; P156-M158 HydrophobicContact CG-SD 4.11Å; P156-M158 PolarHBondContact O-N 3.02Å
157L96.3Very high96Very high77 Ų7752 Ų5240%0.40329%0.287SS..PPolyproline II helixtrans-67.9119.6168-170.976.6000109.3Q131 A151Q131-L157 HydrophobicContact CB-CD1 4.29Å; A151-L157 HydrophobicContact CB-CB 4.43Å; A151-L157 HydrophobicContact CB-CD1 4.29Å
158M96.6Very high95.8Very high64 Ų6452.8 Ų52.832%0.31529%0.294SS..EExtended strand (participates in β ladder)trans-129.8147-179.2-62.4-178.5-63.400110.2F35 S149 M150 P156 H160F35-M158 HydrophobicContact CD2-CE 4.36Å; F35-M158 HydrophobicContact CE1-CE 4.17Å; F35-M158 HydrophobicContact CE2-CB 4.26Å; F35-M158 HydrophobicContact CE2-CE 3.7Å; F35-M158 HydrophobicContact CZ-CE 3.59Å; S149-M158 CarbonylContact C-O 3.55Å; S149-M158 WeakPolarHBondContact CA-O 3.4Å; S149-M158 WeakPolarHBondContact CB-O 3.28Å; M150-M158 PolarHBondContact N-O 2.88Å; M150-M158 PolarHBondContact O-N 2.84Å; P156-M158 HydrophobicContact CG-CG 4.04Å; P156-M158 HydrophobicContact CG-SD 4.11Å; P156-M158 PolarHBondContact O-N 3.02Å; M158-H160 PolarHBondContact O-N 3.23Å
159Q97.4Very high94.9Very high103 Ų10357.6 Ų57.648%0.48133%0.328SS..EExtended strand (participates in β ladder)trans-57.9127174.2-177.1173.4-58.700109.7T147 S149T147-Q159 HydrophobicContact CG2-CG 3.93Å; S149-Q159 WeakPolarHBondContact OG-CA 3.36Å
160H97.8Very high94.7Very high30 Ų3059.3 Ų59.314%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-105.9-46.9176.6-178.334.2000111.4G33 S34 F35 F41 V148 M150 M158G33-H160 CarbonylContact C-O 3.53Å; G33-H160 VanDerWaalsContact CA-O 3.25Å; G33-H160 WeakPolarHBondContact CA-O 3.41Å; S34-H160 PolarHBondContact N-O 2.84Å; S34-H160 VanDerWaalsContact O-CA 3.32Å; S34-H160 WeakPolarHBondContact O-CA 3.36Å; S34-H160 PolarHBondContact O-ND1 2.86Å; F35-H160 HydrophobicContact CD2-CB 4.41Å; F41-H160 AromaticContact CE1-CE1 3.98Å; V148-H160 WeakPolarHBondContact O-CA 3.29Å; V148-H160 PolarHBondContact O-N 3.23Å; M150-H160 HydrophobicContact CE-CB 4.1Å; M150-H160 VanDerWaalsContact CE-CD2 3.47Å; M150-H160 WeakPolarHBondContact CE-CD2 3.28Å; M150-H160 VanDerWaalsContact CE-CG 3.44Å; M150-H160 HydrophobicContact CG-CB 3.97Å; M150-H160 HydrophobicContact SD-CB 4.25Å; M150-H160 VanDerWaalsContact SD-CD2 3.57Å; M158-H160 PolarHBondContact O-N 3.23Å
161L98.6Very high94.6Very high31 Ų3161.2 Ų61.216%0.16235%0.348CS..EExtended strand (participates in β ladder)trans-129.3142.2-174.1-53.2176.6000110.7E32 F41 Y43 T147 V148E32-L161 WeakPolarHBondContact O-CA 3.49Å; F41-L161 HydrophobicContact CE2-CD2 4.37Å; F41-L161 HydrophobicContact CZ-CD2 3.92Å; Y43-L161 HydrophobicContact CE1-CD2 3.95Å; T147-L161 CarbonylContact C-O 3.52Å; T147-L161 WeakPolarHBondContact CA-O 3.35Å; V148-L161 HydrophobicContact CB-CB 3.96Å; V148-L161 HydrophobicContact CB-CD1 4.16Å; V148-L161 HydrophobicContact CB-CG 4.25Å; V148-L161 HydrophobicContact CG2-CB 4.26Å; V148-L161 HydrophobicContact CG2-CD1 4.16Å; V148-L161 PolarHBondContact N-O 2.78Å; V148-L161 PolarHBondContact O-N 2.9Å
162H98.6Very high94.5Very high54 Ų5464.6 Ų64.625%0.2537%0.367CS..EExtended strand (participates in β ladder)trans-143.6135165.9178.375.5000110.4G31 E32 E145 Q146 T147G31-H162 CarbonylContact C-O 3.51Å; G31-H162 WeakPolarHBondContact CA-O 3.29Å; E32-H162 PolarHBondContact N-O 2.87Å; E32-H162 PolarHBondContact O-N 3.1Å; E145-H162 IonicContact OE1-CE1 3.61Å; E145-H162 PolarHBondContact OE1-CE1 2.81Å; E145-H162 IonicContact OE1-NE2 3.97Å; Q146-H162 WeakPolarHBondContact O-CA 3.37Å; T147-H162 PolarHBondContact OG1-ND1 2.87Å
163I98.7Very high94.6Very high3 Ų366.4 Ų66.42%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-159.4147.7-174.7-174164.1000111.5Y43 E45 E145 Q146 Y165Y43-I163 HydrophobicContact CD2-CD1 4.22Å; Y43-I163 HydrophobicContact CE2-CD1 3.63Å; Y43-I163 WeakPolarHBondContact OH-CG2 3.22Å; E45-I163 HydrophobicContact CB-CD1 3.83Å; E145-I163 WeakPolarHBondContact CA-O 3.4Å; Q146-I163 HydrophobicContact CB-CG2 4.04Å; Q146-I163 PolarHBondContact N-O 3.02Å; Q146-I163 PolarHBondContact O-N 2.74Å; I163-Y165 HydrophobicContact CD1-CE1 3.84Å; I163-Y165 HydrophobicContact CG1-CD1 4.47Å; I163-Y165 HydrophobicContact CG1-CE1 3.97Å; I163-Y165 HydrophobicContact CG2-CE1 4.17Å; I163-Y165 HydrophobicContact CG2-CE2 3.72Å; I163-Y165 WeakPolarHBondContact CG2-OH 3.44Å
164T98.6Very high95.1Very high30 Ų3061.1 Ų61.118%0.18436%0.358CS..EExtended strand (participates in β ladder)trans-120.9146.5174.759.30000110.8S27 D28 L144 E145S27-T164 WeakPolarHBondContact CA-O 3.15Å; D28-T164 PolarHBondContact N-O 2.79Å; L144-T164 CarbonylContact O-C 3.6Å; L144-T164 VanDerWaalsContact O-CA 3.31Å; L144-T164 WeakPolarHBondContact O-CA 3.47Å; E145-T164 HydrophobicContact CB-CG2 4.16Å; E145-T164 HydrophobicContact CG-CG2 3.93Å
165Y98.7Very high95.7Very high0 Ų058.9 Ų58.90%032%0.318CS..EExtended strand (participates in β ladder)trans-129.8147.9-173.3-44.3-94000111.4W25 E26 E45 L47 K143 L144 Q146 I163W25-Y165 HydrophobicContact CB-CD1 4.47Å; W25-Y165 HydrophobicContact CB-CG 4.21Å; E26-Y165 CarbonylContact O-C 3.53Å; E26-Y165 VanDerWaalsContact O-CA 3.26Å; E26-Y165 WeakPolarHBondContact O-CA 3.16Å; E26-Y165 WeakPolarHBondContact O-CB 3.33Å; E45-Y165 HydrophobicContact CB-CE1 4.05Å; E45-Y165 HydrophobicContact CG-CE1 4.23Å; E45-Y165 PolarHBondContact OE2-OH 3.17Å; L47-Y165 HydrophobicContact CD1-CD1 4.24Å; L47-Y165 HydrophobicContact CD1-CD2 4.04Å; L47-Y165 HydrophobicContact CD1-CE1 3.89Å; L47-Y165 HydrophobicContact CD1-CE2 3.67Å; L47-Y165 HydrophobicContact CD1-CG 4.31Å; L47-Y165 HydrophobicContact CD2-CE1 3.95Å; L47-Y165 HydrophobicContact CG-CD1 4.15Å; L47-Y165 HydrophobicContact CG-CE1 3.73Å; L47-Y165 HydrophobicContact CG-CE2 4.43Å; K143-Y165 VanDerWaalsContact CA-O 3.29Å; K143-Y165 WeakPolarHBondContact CA-O 3.37Å; K143-Y165 WeakPolarHBondContact CB-O 3.25Å; L144-Y165 HydrophobicContact CB-CD2 4.04Å; L144-Y165 HydrophobicContact CD2-CD2 4.18Å; L144-Y165 HydrophobicContact CG-CD2 3.99Å; L144-Y165 PolarHBondContact N-O 3.35Å; L144-Y165 VanDerWaalsContact N-O 3.07Å; L144-Y165 WeakPolarHBondContact O-CD2 3.32Å; L144-Y165 PolarHBondContact O-N 3.05Å; Q146-Y165 HydrophobicContact CB-CE2 3.81Å; Q146-Y165 PolarHBondContact OE1-OH 2.9Å; I163-Y165 HydrophobicContact CD1-CE1 3.84Å; I163-Y165 HydrophobicContact CG1-CD1 4.47Å; I163-Y165 HydrophobicContact CG1-CE1 3.97Å; I163-Y165 HydrophobicContact CG2-CE1 4.17Å; I163-Y165 HydrophobicContact CG2-CE2 3.72Å; I163-Y165 WeakPolarHBondContact CG2-OH 3.44Å
166R98.3Very high96.1Very high112 Ų11260.9 Ų60.942%0.42332%0.318SS..EExtended strand (participates in β ladder)trans-99.6145.5164.264.6179.1-176.97915109.9W25 E26 D28W25-R166 WeakPolarHBondContact CA-O 3.44Å; E26-R166 PolarHBondContact N-O 3.09Å; E26-R166 PolarHBondContact O-N 3.03Å; E26-R166 IonicContact OE2-NH2 3.23Å; E26-R166 PolarHBondContact OE2-NH2 3.29Å; E26-R166 VanDerWaalsContact OE2-NH2 3.13Å; D28-R166 HydrophobicContact CB-CB 4.43Å; D28-R166 HydrophobicContact CB-CG 4.41Å
167R97.3Very high96.2Very high100 Ų10058.8 Ų58.838%0.37730%0.298SS..EExtended strand (participates in β ladder)trans-69.7134.5171.2-165.2-178.1-65.7-82.89.4108.8W20 L22 W25W20-R167 PolarHBondContact O-NH2 3.22Å; L22-R167 PolarHBondContact O-NH1 3.15Å; W25-R167 HydrophobicContact CD2-CB 4.44Å; W25-R167 HydrophobicContact CE3-CB 3.92Å; W25-R167 HydrophobicContact CH2-CB 4.16Å; W25-R167 VanDerWaalsContact CH2-CZ 3.45Å; W25-R167 VanDerWaalsContact CH2-NH2 3.3Å; W25-R167 HydrophobicContact CZ3-CB 3.74Å
168S93.4Very high96.2Very high48 Ų4857.3 Ų57.334%0.33629%0.289SS..  trans-115.3-28.6-17862.70000113.1V24V24-S168 VanDerWaalsContact CB-OG 3.29Å; V24-S168 WeakPolarHBondContact CB-OG 3.32Å; V24-S168 WeakPolarHBondContact CG1-OG 3.41Å; V24-S168 PolarHBondContact O-N 2.92Å; V24-S168 PolarHBondContact O-OG 2.85Å
169S81Confident96.2Very high112 Ų11256.6 Ų56.678%0.78329%0.286SS*.  trans-157.70170.663.80000111.2G23 V24G23-S169 CarbonylContact C-O 3.53Å; G23-S169 WeakPolarHBondContact CA-O 3.45Å; V24-S169 VanDerWaalsContact CB-OG 3.31Å; V24-S169 WeakPolarHBondContact CB-OG 3.28Å; V24-S169 WeakPolarHBondContact CG2-OG 3.48Å; V24-S169 PolarHBondContact N-O 2.79Å

Retrieved 169 of 169 residues in 82.6 ms (Link to these results)

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