A0A077ZB57_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZB57, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 139 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
1M54.6Low69.2Low159 Ų15995.6 Ų95.678%0.78344%0.441SS*.  01170-167.2176.4-85.900105.8M5 V61M1-M5 HydrophobicContact CE-CE 3.83Å; M1-M5 HydrophobicContact CG-CE 3.3Å; M1-M5 HydrophobicContact CG-SD 3.85Å; M1-M5 HydrophobicContact SD-CE 3.22Å; M1-M5 WeakPolarHBondContact SD-CE 3.45Å; M1-M5 HydrophobicContact SD-SD 4.41Å; M1-V61 HydrophobicContact CE-CG1 4.15Å; M1-V61 HydrophobicContact SD-CB 3.91Å; M1-V61 HydrophobicContact SD-CG1 3.56Å; M1-V61 VanDerWaalsContact SD-CG1 3.56Å; M1-V61 HydrophobicContact SD-CG2 3.88Å
2D66.7Low68.9Low104 Ų10493.1 Ų93.156%0.55644%0.437SS*.  trans-73.2145.1-163.4-151.9-27.1000111.4D4 M5 I6D2-D4 HydrophobicContact CB-CB 4.48Å; D2-D4 PolarHBondContact O-N 2.76Å; D2-M5 WeakPolarHBondContact O-CB 3.46Å; D2-M5 PolarHBondContact O-N 2.84Å; D2-I6 PolarHBondContact O-N 3.15Å
3R67.3Low68.5Low165 Ų16589 Ų8962%0.62342%0.419SS*.Hα-helixtrans-56.9-33.1174.8-173-179.6-175.3172.55.6110.3M5 I6 R7R3-M5 VanDerWaalsContact C-N 3.33Å; R3-M5 PolarHBondContact O-N 3.42Å; R3-I6 PolarHBondContact O-N 3.48Å; R3-R7 PolarHBondContact O-N 3.41Å
4D73.8Confident67.4Low107 Ų10793.3 Ų93.357%0.57245%0.446SS*.Hα-helixtrans-62.4-38.2176.9-68.1-16.2000112.3D2 I6 R7 E8D2-D4 HydrophobicContact CB-CB 4.48Å; D2-D4 PolarHBondContact O-N 2.76Å; D4-I6 PolarHBondContact O-N 3.28Å; D4-R7 WeakPolarHBondContact O-CB 3.33Å; D4-R7 PolarHBondContact O-N 3.47Å; D4-E8 WeakPolarHBondContact O-CB 3.25Å; D4-E8 PolarHBondContact O-N 3.47Å
5M71.6Confident66Low71 Ų7195.5 Ų95.535%0.3546%0.455SS..Hα-helixtrans-68-36.5178.8-161-165.983.700111.9M1 D2 R3 I9M1-M5 HydrophobicContact CE-CE 3.83Å; M1-M5 HydrophobicContact CG-CE 3.3Å; M1-M5 HydrophobicContact CG-SD 3.85Å; M1-M5 HydrophobicContact SD-CE 3.22Å; M1-M5 WeakPolarHBondContact SD-CE 3.45Å; M1-M5 HydrophobicContact SD-SD 4.41Å; D2-M5 WeakPolarHBondContact O-CB 3.46Å; D2-M5 PolarHBondContact O-N 2.84Å; R3-M5 VanDerWaalsContact C-N 3.33Å; R3-M5 PolarHBondContact O-N 3.42Å; M5-I9 HydrophobicContact CE-CD1 3.94Å; M5-I9 WeakPolarHBondContact O-CB 3.36Å; M5-I9 WeakPolarHBondContact O-CD1 3.22Å; M5-I9 VanDerWaalsContact O-CG1 3.23Å; M5-I9 WeakPolarHBondContact O-CG1 3.36Å; M5-I9 PolarHBondContact O-N 3.12Å
6I70.3Confident64.8Low3 Ų397.5 Ų97.52%0.01548%0.479CS..Hα-helixtrans-71-38.5175.4-62.6172.8000110.3D2 R3 D4 I9 L10 V61 T62 T63 V103D2-I6 PolarHBondContact O-N 3.15Å; R3-I6 PolarHBondContact O-N 3.48Å; D4-I6 PolarHBondContact O-N 3.28Å; I6-I9 WeakPolarHBondContact O-CB 3.28Å; I6-I9 PolarHBondContact O-N 2.84Å; I6-L10 HydrophobicContact CG2-CD1 4.21Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 VanDerWaalsContact O-CG 3.31Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.04Å; I6-V61 HydrophobicContact CD1-CG2 4.17Å; I6-V61 HydrophobicContact CG1-CG2 4.28Å; I6-T62 WeakPolarHBondContact CD1-O 3.37Å; I6-T63 HydrophobicContact CB-CG2 3.79Å; I6-T63 HydrophobicContact CD1-CG2 3.79Å; I6-T63 HydrophobicContact CG1-CG2 4.39Å; I6-T63 HydrophobicContact CG2-CG2 3.31Å; I6-V103 HydrophobicContact CG2-CG2 3.68Å
7R71.3Confident63.4Low159 Ų159100 Ų10060%0.649%0.491SS*.Hα-helixtrans-61.7-46.7175-174.3180175.7164.35.7111.7R3 D4 I9 L10 E11R3-R7 PolarHBondContact O-N 3.41Å; D4-R7 WeakPolarHBondContact O-CB 3.33Å; D4-R7 PolarHBondContact O-N 3.47Å; R7-I9 VanDerWaalsContact C-N 3.29Å; R7-I9 PolarHBondContact O-N 3.25Å; R7-L10 PolarHBondContact O-N 3.41Å; R7-L10 VanDerWaalsContact O-N 3.11Å; R7-E11 IonicContact NE-OE1 2.7Å; R7-E11 PolarHBondContact NE-OE1 3.32Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3.27Å
8E73.8Confident62.5Low123 Ų12399.5 Ų99.558%0.57548%0.484SS*.Hα-helixtrans-57.9-43.4174.1-174.9-176.6-178.800111D4 L10 E11 T12D4-E8 WeakPolarHBondContact O-CB 3.25Å; D4-E8 PolarHBondContact O-N 3.47Å; E8-L10 PolarHBondContact O-N 3.4Å; E8-E11 PolarHBondContact O-N 3.49Å; E8-T12 WeakPolarHBondContact O-CG2 3.29Å; E8-T12 PolarHBondContact O-N 3.38Å
9I70.9Confident61.5Low9 Ų9103.1 Ų103.15%0.04650%0.499CS..Hα-helixtrans-56.4-49.5173.8-76.8166.4000111.1M5 I6 R7 E11 T12 M13 V103M5-I9 HydrophobicContact CE-CD1 3.94Å; M5-I9 WeakPolarHBondContact O-CB 3.36Å; M5-I9 WeakPolarHBondContact O-CD1 3.22Å; M5-I9 VanDerWaalsContact O-CG1 3.23Å; M5-I9 WeakPolarHBondContact O-CG1 3.36Å; M5-I9 PolarHBondContact O-N 3.12Å; I6-I9 WeakPolarHBondContact O-CB 3.28Å; I6-I9 PolarHBondContact O-N 2.84Å; R7-I9 VanDerWaalsContact C-N 3.29Å; R7-I9 PolarHBondContact O-N 3.25Å; I9-E11 VanDerWaalsContact C-N 3.31Å; I9-E11 PolarHBondContact O-N 3.08Å; I9-T12 PolarHBondContact O-N 2.97Å; I9-T12 VanDerWaalsContact O-N 3.16Å; I9-T12 PolarHBondContact O-OG1 3.26Å; I9-M13 HydrophobicContact CG2-CG 4.49Å; I9-M13 HydrophobicContact CG2-SD 4.15Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 2.89Å; I9-M13 VanDerWaalsContact O-N 3.17Å; I9-V103 HydrophobicContact CD1-CG1 4.48Å; I9-V103 HydrophobicContact CG2-CG1 3.85Å; I9-V103 HydrophobicContact CG2-CG2 4.44Å
10L71Confident60.7Low34 Ų34106.4 Ų106.418%0.17851%0.512CS..Hα-helixtrans-61.8-40.7-179.1-67.9169000111.3I6 R7 E8 T12 M13 Y101 A132I6-L10 HydrophobicContact CG2-CD1 4.21Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 VanDerWaalsContact O-CG 3.31Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.04Å; R7-L10 PolarHBondContact O-N 3.41Å; R7-L10 VanDerWaalsContact O-N 3.11Å; E8-L10 PolarHBondContact O-N 3.4Å; L10-T12 VanDerWaalsContact C-N 3.29Å; L10-T12 PolarHBondContact O-N 3.29Å; L10-M13 WeakPolarHBondContact O-CB 3.49Å; L10-M13 PolarHBondContact O-N 3.33Å; L10-Y101 HydrophobicContact CD1-CD1 4.01Å; L10-Y101 HydrophobicContact CD1-CD2 3.52Å; L10-Y101 HydrophobicContact CD1-CE1 4.06Å; L10-Y101 HydrophobicContact CD1-CE2 3.6Å; L10-Y101 HydrophobicContact CD1-CG 3.73Å; L10-Y101 HydrophobicContact CD2-CD1 3.85Å; L10-Y101 HydrophobicContact CD2-CE1 4.06Å; L10-Y101 HydrophobicContact CD2-CG 4.23Å; L10-A132 HydrophobicContact CD2-CB 3.54Å
11E69.5Low60.6Low118 Ų118109.6 Ų109.655%0.55152%0.524SS*.Hα-helixtrans-62.9-33.3176.3-70.4171.9-17300112.3R7 E8 I9 M13R7-E11 IonicContact NE-OE1 2.7Å; R7-E11 PolarHBondContact NE-OE1 3.32Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3.27Å; E8-E11 PolarHBondContact O-N 3.49Å; I9-E11 VanDerWaalsContact C-N 3.31Å; I9-E11 PolarHBondContact O-N 3.08Å; E11-M13 VanDerWaalsContact C-N 3.34Å
12T66.4Low61.7Low65 Ų65107.2 Ų107.240%0.39951%0.509SS..Hα-helixtrans-76.8-16.8173.564.70000114.3E8 I9 L10E8-T12 WeakPolarHBondContact O-CG2 3.29Å; E8-T12 PolarHBondContact O-N 3.38Å; I9-T12 PolarHBondContact O-N 2.97Å; I9-T12 VanDerWaalsContact O-N 3.16Å; I9-T12 PolarHBondContact O-OG1 3.26Å; L10-T12 VanDerWaalsContact C-N 3.29Å; L10-T12 PolarHBondContact O-N 3.29Å
13M62.9Low62.8Low40 Ų40103.7 Ų103.720%0.19749%0.489CS..Hα-helixtrans-80.5-21.4-178.7-74.3-175.565.200113.7I9 L10 E11 Q15 Y18 R130 A132I9-M13 HydrophobicContact CG2-CG 4.49Å; I9-M13 HydrophobicContact CG2-SD 4.15Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 2.89Å; I9-M13 VanDerWaalsContact O-N 3.17Å; L10-M13 WeakPolarHBondContact O-CB 3.49Å; L10-M13 PolarHBondContact O-N 3.33Å; E11-M13 VanDerWaalsContact C-N 3.34Å; M13-Q15 PolarHBondContact O-N 2.6Å; M13-Y18 HydrophobicContact CB-CE2 4.49Å; M13-Y18 HydrophobicContact CG-CE2 4.42Å; M13-R130 HydrophobicContact SD-CB 4.04Å; M13-A132 HydrophobicContact CE-CB 3.9Å; M13-A132 HydrophobicContact SD-CB 3.79Å
14D53.1Low64.1Low149 Ų14996 Ų9680%0.79746%0.461SS*.THydrogen-bonded Turntrans-69.93.5-180-83-21.1000114.3
15Q47.5Very low65.1Low126 Ų12694.3 Ų94.359%0.58945%0.449SS*.SBendtrans-80.1127.6171.5-66.8-169.9-6.600111M13 M17M13-Q15 PolarHBondContact O-N 2.6Å; Q15-M17 PolarHBondContact O-N 3.42Å
16P46.1Very low66.2Low128 Ų12891.2 Ų91.283%0.83143%0.434SS*.G310 helixtrans-65.912.2-170.723.9-33.2000116.4Y18P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 PolarHBondContact O-N 3Å
17M41.2Very low67.4Low140 Ų14096.8 Ų96.869%0.6946%0.46SS*.G310 helixtrans-75.9-9.4178.8-75.8-146.9-50.100115Q15 E19Q15-M17 PolarHBondContact O-N 3.42Å; M17-E19 VanDerWaalsContact C-N 3.34Å; M17-E19 PolarHBondContact O-N 2.83Å
18Y47Very low68.5Low91 Ų9190.6 Ų90.636%0.35744%0.441SS..G310 helixtrans-76.8-8.1-168.6-86.4-84000116.2M13 P16 R130M13-Y18 HydrophobicContact CB-CE2 4.49Å; M13-Y18 HydrophobicContact CG-CE2 4.42Å; P16-Y18 VanDerWaalsContact C-N 3.31Å; P16-Y18 PolarHBondContact O-N 3Å; Y18-R130 WeakPolarHBondContact CE1-O 3.46Å
19E43.3Very low69.2Low167 Ų16791.1 Ų91.178%0.7844%0.441SS*.G310 helixtrans-86.7-15.1-178-71.7-166.6154.500115.1M17M17-E19 VanDerWaalsContact C-N 3.34Å; M17-E19 PolarHBondContact O-N 2.83Å
20F45.7Very low70Confident170 Ų17099.7 Ų99.775%0.74647%0.473SS*.SBendtrans-87.3-15.9-168.8-88.7-86.3000116.3
21F57.8Low70.9Confident174 Ų174100.2 Ų100.276%0.76348%0.477SS*.  trans-143.886.1176.6-62.2-78.2000110.2E23F21-E23 WeakPolarHBondContact O-CG 3.17Å; F21-E23 PolarHBondContact O-N 2.95Å
22K77.9Confident72.1Confident109 Ų10994.9 Ų94.947%0.47445%0.453SS..  trans-71.1101.1172.1-160.6176.7-168.7-161.20108.6E25 V51K22-E25 HydrophobicContact CD-CG 3.83Å; K22-E25 WeakPolarHBondContact CD-OE1 3.38Å; K22-E25 VanDerWaalsContact CE-CG 3.47Å; K22-E25 WeakPolarHBondContact CE-OE1 3.42Å; K22-E25 HydrophobicContact CG-CG 4.19Å; K22-E25 VanDerWaalsContact NZ-CD 3.26Å; K22-E25 IonicContact NZ-OE1 2.68Å; K22-E25 PolarHBondContact NZ-OE1 2.86Å; K22-V51 WeakPolarHBondContact O-CG2 3.43Å
23E91.3Very high73.4Confident30 Ų3094.7 Ų94.714%0.1445%0.451CS..  trans-91.2-40.7-177.7-54.6-175136.700112F21 V51 T52 R56 H106F21-E23 WeakPolarHBondContact O-CG 3.17Å; F21-E23 PolarHBondContact O-N 2.95Å; E23-V51 VanDerWaalsContact O-CG2 3.28Å; E23-V51 WeakPolarHBondContact O-CG2 3.09Å; E23-V51 PolarHBondContact O-N 3.17Å; E23-V51 VanDerWaalsContact O-N 3.09Å; E23-T52 HydrophobicContact CB-CG2 3.81Å; E23-T52 HydrophobicContact CG-CG2 4.28Å; E23-T52 WeakPolarHBondContact O-CG2 3.5Å; E23-R56 IonicContact OE1-CZ 3.05Å; E23-R56 VanDerWaalsContact OE1-CZ 3.31Å; E23-R56 IonicContact OE1-NH1 3.31Å; E23-R56 PolarHBondContact OE1-NH1 2.97Å; E23-R56 IonicContact OE1-NH2 3.78Å; E23-R56 PolarHBondContact OE1-NH2 3.32Å; E23-R56 IonicContact OE2-CZ 2.6Å; E23-R56 VanDerWaalsContact OE2-CZ 3.3Å; E23-R56 IonicContact OE2-NH1 3.3Å; E23-R56 PolarHBondContact OE2-NH1 2.75Å; E23-R56 IonicContact OE2-NH2 3.42Å; E23-R56 PolarHBondContact OE2-NH2 2.72Å; E23-H106 IonicContact OE2-CE1 3.55Å; E23-H106 PolarHBondContact OE2-CE1 2.86Å; E23-H106 IonicContact OE2-ND1 3.47Å
24L94.4Very high75Confident4 Ų493 Ų932%0.02144%0.443CS..EExtended strand (participates in β ladder)trans-117.6147.9170.8-61.2-172.7000109.9V48 T49 N50 R56 F58 L77 H106 I131L24-V48 HydrophobicContact CB-CG1 4.32Å; L24-V48 HydrophobicContact CD1-CG1 3.8Å; L24-V48 HydrophobicContact CG-CG1 4.49Å; L24-T49 CarbonylContact C-O 3.24Å; L24-T49 VanDerWaalsContact CA-O 3.28Å; L24-T49 WeakPolarHBondContact CA-O 3.23Å; L24-N50 HydrophobicContact CD2-CB 3.85Å; L24-R56 HydrophobicContact CD2-CB 4.01Å; L24-R56 HydrophobicContact CD2-CG 4Å; L24-F58 HydrophobicContact CD1-CB 4.21Å; L24-L77 HydrophobicContact CD2-CD1 4.18Å; L24-H106 HydrophobicContact CD1-CB 3.44Å; L24-H106 VanDerWaalsContact CD1-CB 3.44Å; L24-H106 VanDerWaalsContact CD1-CG 3.41Å; L24-H106 HydrophobicContact CG-CB 4.35Å; L24-I131 HydrophobicContact CB-CD1 3.84Å
25E93.7Very high76.8Confident70 Ų7089.2 Ų89.233%0.32743%0.428SS..EExtended strand (participates in β ladder)trans-116.1147.5167.1-52.9-162.3133.500109.9K22 V48 T49 V51K22-E25 HydrophobicContact CD-CG 3.83Å; K22-E25 WeakPolarHBondContact CD-OE1 3.38Å; K22-E25 VanDerWaalsContact CE-CG 3.47Å; K22-E25 WeakPolarHBondContact CE-OE1 3.42Å; K22-E25 HydrophobicContact CG-CG 4.19Å; K22-E25 VanDerWaalsContact NZ-CD 3.26Å; K22-E25 IonicContact NZ-OE1 2.68Å; K22-E25 PolarHBondContact NZ-OE1 2.86Å; E25-V48 CarbonylContact O-C 3.56Å; E25-V48 WeakPolarHBondContact O-CA 3.42Å; E25-T49 PolarHBondContact N-O 3.01Å; E25-T49 PolarHBondContact O-N 3.3Å; E25-V51 HydrophobicContact CB-CG1 4.4Å; E25-V51 HydrophobicContact CG-CB 4.3Å; E25-V51 HydrophobicContact CG-CG1 3.5Å; E25-V51 HydrophobicContact CG-CG2 3.85Å
26T95Very high78.8Confident7 Ų783.9 Ų83.94%0.04341%0.407CS..EExtended strand (participates in β ladder)trans-118.4144.9173.864.50000110.1P28 K29 T47 V48 I104 I131 L133T26-P28 CarbonylContact C-O 3.6Å; T26-P28 VanDerWaalsContact C-O 3.24Å; T26-P28 WeakPolarHBondContact CB-O 3.24Å; T26-P28 CarbonylContact O-C 3.48Å; T26-P28 VanDerWaalsContact O-C 3.31Å; T26-P28 PolarHBondContact OG1-O 3.34Å; T26-K29 VanDerWaalsContact O-CA 3.29Å; T26-K29 WeakPolarHBondContact O-CA 3.28Å; T26-K29 VanDerWaalsContact O-CG 3.3Å; T26-K29 WeakPolarHBondContact O-CG 3.33Å; T26-K29 PolarHBondContact O-N 2.76Å; T26-K29 PolarHBondContact OG1-O 2.78Å; T26-T47 CarbonylContact C-O 3.56Å; T26-T47 VanDerWaalsContact CA-O 3.22Å; T26-T47 WeakPolarHBondContact CA-O 3.22Å; T26-V48 HydrophobicContact CG2-CG2 4.42Å; T26-I104 HydrophobicContact CG2-CD1 3.59Å; T26-I131 HydrophobicContact CG2-CD1 4.2Å; T26-I131 HydrophobicContact CG2-CG2 4.2Å; T26-L133 HydrophobicContact CG2-CD1 4.2Å
27E95.5Very high81Confident120 Ų12081.7 Ų81.756%0.56139%0.393SS*.EExtended strand (participates in β ladder)trans-123.1112.1166-173.857.3-133.700107.7I46 T47E27-I46 CarbonylContact O-C 3.59Å; E27-I46 WeakPolarHBondContact O-CA 3.38Å; E27-T47 PolarHBondContact N-O 3.46Å; E27-T47 PolarHBondContact O-N 3.03Å
28P95Very high83.5Confident29 Ų2976.3 Ų76.319%0.18837%0.366CS..SBendcis-68.9158.42.229.2-34.6000113.8T26 T31 L32 L133T26-P28 CarbonylContact C-O 3.6Å; T26-P28 VanDerWaalsContact C-O 3.24Å; T26-P28 WeakPolarHBondContact CB-O 3.24Å; T26-P28 CarbonylContact O-C 3.48Å; T26-P28 VanDerWaalsContact O-C 3.31Å; T26-P28 PolarHBondContact OG1-O 3.34Å; P28-T31 VanDerWaalsContact CB-O 3.25Å; P28-T31 WeakPolarHBondContact CB-O 3.12Å; P28-T31 VanDerWaalsContact CG-O 3.31Å; P28-T31 WeakPolarHBondContact CG-O 3.36Å; P28-L32 HydrophobicContact CG-CB 4.38Å; P28-L32 HydrophobicContact CG-CD1 3.83Å; P28-L133 HydrophobicContact CG-CD2 4.14Å; P28-L133 WeakPolarHBondContact O-CD2 3.36Å
29K88.9Confident85.7Confident133 Ų13376.4 Ų76.458%0.57837%0.372SS*.SBendtrans-77-33.3-172.3-72.2-178.9-178.1175.60115.8T26T26-K29 VanDerWaalsContact O-CA 3.29Å; T26-K29 WeakPolarHBondContact O-CA 3.28Å; T26-K29 VanDerWaalsContact O-CG 3.3Å; T26-K29 WeakPolarHBondContact O-CG 3.33Å; T26-K29 PolarHBondContact O-N 2.76Å; T26-K29 PolarHBondContact OG1-O 2.78Å
30R86.2Confident88.1Confident189 Ų18972.5 Ų72.571%0.71336%0.356SS*.SBendtrans-140.5-35.1-172-70.5-174.6178.5179.6-1.5113.4L133 V134R30-L133 CarbonylContact O-C 3.49Å; R30-L133 VanDerWaalsContact O-CA 3.25Å; R30-L133 WeakPolarHBondContact O-CA 3.44Å; R30-V134 PolarHBondContact O-N 3.49Å
31T91.7Very high90.4Very high46 Ų4667.9 Ų67.928%0.28234%0.343SS..EExtended strand (participates in β ladder)trans-132.7127.3-172.5-500000110.5P28 V33 V134 E136P28-T31 VanDerWaalsContact CB-O 3.25Å; P28-T31 WeakPolarHBondContact CB-O 3.12Å; P28-T31 VanDerWaalsContact CG-O 3.31Å; P28-T31 WeakPolarHBondContact CG-O 3.36Å; T31-V33 HydrophobicContact CG2-CG2 3.82Å; T31-V134 CarbonylContact C-O 3.58Å; T31-V134 VanDerWaalsContact CA-O 3.24Å; T31-V134 WeakPolarHBondContact CA-O 3.31Å; T31-V134 HydrophobicContact CG2-CB 4.37Å; T31-E136 HydrophobicContact CG2-CB 4.08Å; T31-E136 HydrophobicContact CG2-CG 3.67Å
32L94.5Very high92.3Very high6 Ų662.6 Ų62.63%0.03132%0.318CS..EExtended strand (participates in β ladder)trans-97116.6167-172.970.3000108.2P28 F34 A44 I46 I87 I102 V134 V135 E136P28-L32 HydrophobicContact CG-CB 4.38Å; P28-L32 HydrophobicContact CG-CD1 3.83Å; L32-F34 HydrophobicContact CD2-CE2 3.6Å; L32-F34 HydrophobicContact CD2-CZ 3.93Å; L32-F34 HydrophobicContact CG-CE2 4.08Å; L32-A44 HydrophobicContact CD1-CB 3.64Å; L32-A44 HydrophobicContact CD2-CB 4.2Å; L32-A44 HydrophobicContact CG-CB 4.15Å; L32-I46 HydrophobicContact CD1-CG1 4.14Å; L32-I46 HydrophobicContact CD2-CD1 4.18Å; L32-I46 HydrophobicContact CD2-CG1 4.36Å; L32-I87 HydrophobicContact CD2-CB 4.11Å; L32-I87 HydrophobicContact CD2-CG1 3.91Å; L32-I87 HydrophobicContact CD2-CG2 4.05Å; L32-I102 HydrophobicContact CD2-CD1 3.86Å; L32-V134 PolarHBondContact N-O 2.87Å; L32-V135 WeakPolarHBondContact O-CA 3.23Å; L32-E136 PolarHBondContact O-N 3.47Å
33V93.7Very high93.1Very high60 Ų6065.7 Ų65.736%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-105.4125.6-177.9-176.60000109.5T31 E136 K138T31-V33 HydrophobicContact CG2-CG2 3.82Å; V33-E136 WeakPolarHBondContact CA-O 3.25Å; V33-E136 HydrophobicContact CG2-CB 4.33Å; V33-K138 HydrophobicContact CG1-CB 4.44Å; V33-K138 HydrophobicContact CG1-CD 3.76Å; V33-K138 HydrophobicContact CG1-CG 3.95Å
34F94.6Very high93.4Very high5 Ų565.1 Ų65.12%0.02233%0.332CS..EExtended strand (participates in β ladder)trans-101.9122.3166.4-71.9-80.6000109.6L32 F38 R42 A44 L68 I87 L89 V135 E136 F137 K138L32-F34 HydrophobicContact CD2-CE2 3.6Å; L32-F34 HydrophobicContact CD2-CZ 3.93Å; L32-F34 HydrophobicContact CG-CE2 4.08Å; F34-F38 HydrophobicContact CB-CE1 4.08Å; F34-F38 WeakPolarHBondContact O-CZ 3.28Å; F34-R42 HydrophobicContact CD1-CB 3.57Å; F34-R42 HydrophobicContact CE1-CB 4.02Å; F34-A44 HydrophobicContact CD1-CB 4.39Å; F34-A44 HydrophobicContact CE1-CB 3.61Å; F34-A44 HydrophobicContact CZ-CB 3.71Å; F34-L68 HydrophobicContact CE2-CD2 3.93Å; F34-L68 HydrophobicContact CZ-CD2 4.25Å; F34-I87 HydrophobicContact CE2-CG2 4.23Å; F34-I87 HydrophobicContact CZ-CB 4.14Å; F34-I87 HydrophobicContact CZ-CG2 3.77Å; F34-L89 HydrophobicContact CB-CD2 3.91Å; F34-L89 HydrophobicContact CD1-CB 4.09Å; F34-L89 HydrophobicContact CD1-CD2 4.11Å; F34-L89 HydrophobicContact CD2-CD2 4.39Å; F34-L89 HydrophobicContact CE1-CB 3.93Å; F34-L89 HydrophobicContact CE2-CB 4.47Å; F34-L89 HydrophobicContact CG-CB 4.41Å; F34-L89 HydrophobicContact CG-CD2 3.89Å; F34-L89 HydrophobicContact CZ-CB 4.14Å; F34-V135 HydrophobicContact CD2-CG1 3.86Å; F34-V135 HydrophobicContact CE2-CG1 3.98Å; F34-E136 PolarHBondContact N-O 2.82Å; F34-F137 HydrophobicContact CB-CD1 4Å; F34-F137 HydrophobicContact CB-CE1 4.38Å; F34-F137 HydrophobicContact CD2-CD1 4.45Å; F34-F137 HydrophobicContact CD2-CE1 4.04Å; F34-F137 WeakPolarHBondContact O-CA 3.31Å; F34-K138 PolarHBondContact O-N 3.41Å
35S92.5Very high93.5Very high69 Ų6969.1 Ų69.148%0.48335%0.353SS..EExtended strand (participates in β ladder)trans-95.4143.2172.4-57.80000111.1R42 K138S35-R42 PolarHBondContact O-NE 3.44Å; S35-K138 CarbonylContact C-O 3.51Å; S35-K138 WeakPolarHBondContact CA-O 3.38Å
36G88.9Confident93.7Very high15 Ų1565.8 Ų65.816%0.15534%0.338CS..SBendtrans-68.4178.3177.800000113.8K138 V139G36-K138 PolarHBondContact N-O 2.7Å; G36-V139 PolarHBondContact N-OXT 2.79Å
37P92.1Very high93.8Very high82 Ų8267.4 Ų67.453%0.53235%0.348SS..  cis-70.7150.9-1.829.2-38.7000114D39 R42P37-D39 VanDerWaalsContact CB-OD1 3.31Å; P37-D39 WeakPolarHBondContact CB-OD1 3.22Å; P37-R42 VanDerWaalsContact CG-NH2 3.28Å; P37-R42 VanDerWaalsContact N-NH2 3.14Å; P37-R42 PolarHBondContact O-NE 3.21Å; P37-R42 PolarHBondContact O-NH2 3.47Å
38F93.7Very high93.9Very high27 Ų2761.7 Ų61.712%0.11832%0.321CS..  trans-99.312.2-175-57.5-58.4000114.2F34 I40 R42 L89 P91 N92 A94 I96 F137 K138F34-F38 HydrophobicContact CB-CE1 4.08Å; F34-F38 WeakPolarHBondContact O-CZ 3.28Å; F38-I40 VanDerWaalsContact C-N 3.26Å; F38-R42 HydrophobicContact CD1-CG 4.3Å; F38-L89 HydrophobicContact CD1-CD2 3.76Å; F38-L89 HydrophobicContact CE1-CD2 4.02Å; F38-P91 CarbonylContact O-C 3.57Å; F38-P91 WeakPolarHBondContact O-CA 3.41Å; F38-N92 PolarHBondContact O-N 2.79Å; F38-A94 HydrophobicContact CB-CB 3.83Å; F38-A94 HydrophobicContact CD1-CB 3.81Å; F38-A94 HydrophobicContact CD2-CB 3.65Å; F38-A94 HydrophobicContact CE1-CB 4.26Å; F38-A94 HydrophobicContact CE2-CB 4.11Å; F38-A94 HydrophobicContact CG-CB 3.48Å; F38-A94 VanDerWaalsContact CG-CB 3.48Å; F38-A94 HydrophobicContact CZ-CB 4.39Å; F38-I96 HydrophobicContact CE2-CD1 4.26Å; F38-I96 HydrophobicContact CE2-CG1 4.04Å; F38-F137 HydrophobicContact CE1-CD1 4.41Å; F38-F137 HydrophobicContact CE2-CB 4.23Å; F38-F137 HydrophobicContact CZ-CB 3.87Å; F38-F137 HydrophobicContact CZ-CD1 4.42Å; F38-K138 WeakPolarHBondContact CZ-O 3.47Å
39D93.2Very high94Very high93 Ų9362 Ų6250%0.49732%0.322SS..SBendtrans-76.2-14176.562.9-30.1000113.3P37P37-D39 VanDerWaalsContact CB-OD1 3.31Å; P37-D39 WeakPolarHBondContact CB-OD1 3.22Å
40I93.6Very high94.4Very high84 Ų8455.7 Ų55.743%0.43130%0.295SS..SBendtrans-121.1158.9173.963.5170.2000110.9F38 R42F38-I40 VanDerWaalsContact C-N 3.26Å; I40-R42 PolarHBondContact O-N 3.17Å
41P95.1Very high94.8Very high74 Ų7448.2 Ų48.248%0.48127%0.271SS..  trans-61.6137.8177.9-17.929.8000111T88 L89 P91P41-T88 HydrophobicContact CB-CG2 4.27Å; P41-L89 VanDerWaalsContact CA-O 3.28Å; P41-L89 WeakPolarHBondContact CA-O 3.4Å; P41-P91 HydrophobicContact CB-CG 4.42Å; P41-P91 HydrophobicContact CG-CG 3.67Å
42R95.8Very high95Very high62 Ų6247.2 Ų47.223%0.23426%0.264CS..EExtended strand (participates in β ladder)trans-110.4138.3174.3-59.5-66.2179.1177.5-10.4110.6F34 S35 P37 F38 I40 T88 L89F34-R42 HydrophobicContact CD1-CB 3.57Å; F34-R42 HydrophobicContact CE1-CB 4.02Å; S35-R42 PolarHBondContact O-NE 3.44Å; P37-R42 VanDerWaalsContact CG-NH2 3.28Å; P37-R42 VanDerWaalsContact N-NH2 3.14Å; P37-R42 PolarHBondContact O-NE 3.21Å; P37-R42 PolarHBondContact O-NH2 3.47Å; F38-R42 HydrophobicContact CD1-CG 4.3Å; I40-R42 PolarHBondContact O-N 3.17Å; R42-T88 CarbonylContact O-C 3.31Å; R42-T88 WeakPolarHBondContact O-CA 3.44Å; R42-L89 HydrophobicContact CB-CB 4.11Å; R42-L89 HydrophobicContact CB-CD2 4.14Å; R42-L89 HydrophobicContact CG-CD2 4.28Å; R42-L89 PolarHBondContact N-O 2.85Å; R42-L89 PolarHBondContact O-N 3.3Å
43K95.9Very high95Very high174 Ų17453.3 Ų53.376%0.75729%0.292SS*.EExtended strand (participates in β ladder)trans-113.6140.3179.5-64.8-175.7178.5-175.60110I87K43-I87 CarbonylContact C-O 3.53Å; K43-I87 VanDerWaalsContact CA-O 3.32Å; K43-I87 WeakPolarHBondContact CA-O 3.47Å
44A96.5Very high95.1Very high19 Ų1957.9 Ų57.916%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-141.7162.5169.600000109.5L32 F34 I87L32-A44 HydrophobicContact CD1-CB 3.64Å; L32-A44 HydrophobicContact CD2-CB 4.2Å; L32-A44 HydrophobicContact CG-CB 4.15Å; F34-A44 HydrophobicContact CD1-CB 4.39Å; F34-A44 HydrophobicContact CE1-CB 3.61Å; F34-A44 HydrophobicContact CZ-CB 3.71Å; A44-I87 PolarHBondContact N-O 2.89Å; A44-I87 PolarHBondContact O-N 2.7Å
45N97Very high95.2Very high87 Ų8758.6 Ų58.647%0.46531%0.308SS..EExtended strand (participates in β ladder)trans-120.6141.9179.2-66.5-31.7000109.3T84 M85 H86N45-T84 HydrophobicContact CB-CG2 3.83Å; N45-M85 WeakPolarHBondContact CA-O 3.14Å; N45-H86 PolarHBondContact OD1-ND1 3.08Å
46I97.6Very high95.4Very high0 Ų056.1 Ų56.10%029%0.289CS..EExtended strand (participates in β ladder)trans-118.1114.7165.4-59.3167.5000107.1E27 L32 V48 T84 M85 I87 I102 I104 L133E27-I46 CarbonylContact O-C 3.59Å; E27-I46 WeakPolarHBondContact O-CA 3.38Å; L32-I46 HydrophobicContact CD1-CG1 4.14Å; L32-I46 HydrophobicContact CD2-CD1 4.18Å; L32-I46 HydrophobicContact CD2-CG1 4.36Å; I46-V48 HydrophobicContact CG2-CG2 4.27Å; I46-T84 WeakPolarHBondContact O-CA 3.13Å; I46-M85 HydrophobicContact CB-CB 4.44Å; I46-M85 HydrophobicContact CB-CE 3.78Å; I46-M85 HydrophobicContact CD1-CE 4.18Å; I46-M85 HydrophobicContact CG2-CE 3.65Å; I46-M85 PolarHBondContact N-O 3.31Å; I46-M85 PolarHBondContact O-N 3.41Å; I46-I87 HydrophobicContact CD1-CD1 3.98Å; I46-I87 HydrophobicContact CD1-CG1 3.89Å; I46-I87 HydrophobicContact CG1-CG1 4.09Å; I46-I102 HydrophobicContact CD1-CB 4.46Å; I46-I102 HydrophobicContact CD1-CD1 3.64Å; I46-I102 HydrophobicContact CD1-CG2 4.14Å; I46-I104 HydrophobicContact CG2-CD1 4.34Å; I46-L133 HydrophobicContact CD1-CD2 3.94Å; I46-L133 HydrophobicContact CG1-CD2 4.13Å; I46-L133 HydrophobicContact CG2-CD2 4.07Å
47T97.8Very high95.8Very high41 Ų4155.4 Ų55.425%0.25228%0.281SS..EExtended strand (participates in β ladder)trans-90.5123.9172.5-630000109.1T26 E27 A83 T84T26-T47 CarbonylContact C-O 3.56Å; T26-T47 VanDerWaalsContact CA-O 3.22Å; T26-T47 WeakPolarHBondContact CA-O 3.22Å; E27-T47 PolarHBondContact N-O 3.46Å; E27-T47 PolarHBondContact O-N 3.03Å; T47-A83 CarbonylContact C-O 3.55Å; T47-A83 WeakPolarHBondContact CA-O 3.31Å; T47-T84 PolarHBondContact OG1-OG1 3.03Å
48V97.4Very high96Very high0 Ų051.5 Ų51.50%026%0.256CS..EExtended strand (participates in β ladder)trans-106.5119.9176.7-171.90000108.4L24 E25 T26 I46 F58 L77 S82 A83 M85 I104L24-V48 HydrophobicContact CB-CG1 4.32Å; L24-V48 HydrophobicContact CD1-CG1 3.8Å; L24-V48 HydrophobicContact CG-CG1 4.49Å; E25-V48 CarbonylContact O-C 3.56Å; E25-V48 WeakPolarHBondContact O-CA 3.42Å; T26-V48 HydrophobicContact CG2-CG2 4.42Å; I46-V48 HydrophobicContact CG2-CG2 4.27Å; V48-F58 HydrophobicContact CB-CD1 4.41Å; V48-F58 HydrophobicContact CB-CE1 3.97Å; V48-F58 HydrophobicContact CB-CZ 4.26Å; V48-F58 HydrophobicContact CG1-CD1 4.04Å; V48-F58 HydrophobicContact CG1-CE1 4.1Å; V48-F58 HydrophobicContact CG2-CE1 4.35Å; V48-F58 HydrophobicContact CG2-CE2 4.45Å; V48-F58 HydrophobicContact CG2-CZ 4.17Å; V48-L77 HydrophobicContact CG1-CD1 4.13Å; V48-S82 CarbonylContact O-C 3.54Å; V48-S82 WeakPolarHBondContact O-CA 3.42Å; V48-S82 WeakPolarHBondContact O-CB 3.48Å; V48-A83 PolarHBondContact N-O 2.77Å; V48-A83 PolarHBondContact O-N 3.19Å; V48-M85 HydrophobicContact CG2-CE 3.6Å; V48-I104 HydrophobicContact CG2-CD1 3.95Å
49T97.5Very high96.1Very high36 Ų3650.8 Ų50.822%0.22125%0.254CS..EExtended strand (participates in β ladder)trans-112.6128.8-177.5-59.50000110.2L24 E25 V51 S82L24-T49 CarbonylContact C-O 3.24Å; L24-T49 VanDerWaalsContact CA-O 3.28Å; L24-T49 WeakPolarHBondContact CA-O 3.23Å; E25-T49 PolarHBondContact N-O 3.01Å; E25-T49 PolarHBondContact O-N 3.3Å; T49-V51 HydrophobicContact CG2-CG1 4Å; T49-V51 PolarHBondContact O-N 2.85Å; T49-S82 WeakPolarHBondContact CB-OG 3.48Å; T49-S82 WeakPolarHBondContact CG2-OG 3.35Å; T49-S82 PolarHBondContact OG1-OG 3.16Å
50N97.1Very high96.3Very high0 Ų046.4 Ų46.40%023%0.231CC..EExtended strand (participates in β ladder)trans-81.5108.1169.5178.59.2000110.2L24 T52 R54 L77 K78 R80 N81L24-N50 HydrophobicContact CD2-CB 3.85Å; N50-T52 VanDerWaalsContact C-N 3.32Å; N50-T52 PolarHBondContact OD1-N 3.46Å; N50-T52 PolarHBondContact OD1-OG1 3.11Å; N50-R54 PolarHBondContact ND2-O 3.42Å; N50-L77 HydrophobicContact CB-CB 3.8Å; N50-L77 HydrophobicContact CB-CD1 4.03Å; N50-L77 PolarHBondContact ND2-O 3.03Å; N50-K78 PolarHBondContact ND2-O 2.95Å; N50-R80 WeakPolarHBondContact O-CA 3.27Å; N50-R80 PolarHBondContact O-N 3.17Å; N50-R80 VanDerWaalsContact O-N 3.11Å; N50-N81 PolarHBondContact N-O 3.37Å
51V95.5Very high96.3Very high33 Ų3343.7 Ų43.720%0.222%0.218CC..  trans-94.612.6179.8-68.70000113.2K22 E23 E25 T49 R80K22-V51 WeakPolarHBondContact O-CG2 3.43Å; E23-V51 VanDerWaalsContact O-CG2 3.28Å; E23-V51 WeakPolarHBondContact O-CG2 3.09Å; E23-V51 PolarHBondContact O-N 3.17Å; E23-V51 VanDerWaalsContact O-N 3.09Å; E25-V51 HydrophobicContact CB-CG1 4.4Å; E25-V51 HydrophobicContact CG-CB 4.3Å; E25-V51 HydrophobicContact CG-CG1 3.5Å; E25-V51 HydrophobicContact CG-CG2 3.85Å; T49-V51 HydrophobicContact CG2-CG1 4Å; T49-V51 PolarHBondContact O-N 2.85Å; V51-R80 PolarHBondContact O-NH1 3.43Å; V51-R80 PolarHBondContact O-NH2 3.26Å
52T94.7Very high96.3Very high24 Ų2441 Ų4115%0.14720%0.2CC..SBendtrans-100164.3174.374.60000111.8E23 N50 R54 P79E23-T52 HydrophobicContact CB-CG2 3.81Å; E23-T52 HydrophobicContact CG-CG2 4.28Å; E23-T52 WeakPolarHBondContact O-CG2 3.5Å; N50-T52 VanDerWaalsContact C-N 3.32Å; N50-T52 PolarHBondContact OD1-N 3.46Å; N50-T52 PolarHBondContact OD1-OG1 3.11Å; T52-R54 PolarHBondContact O-N 3.26Å; T52-R54 PolarHBondContact OG1-N 3.27Å; T52-R54 PolarHBondContact OG1-O 3.03Å; T52-P79 WeakPolarHBondContact O-CA 3.37Å
53E95Very high96Very high134 Ų13439 Ų3963%0.62620%0.195SC*.SBendtrans-80.94170.1-62-55.1144.200113P79 R80E53-P79 VanDerWaalsContact O-CG 3.28Å; E53-P79 WeakPolarHBondContact O-CG 3.49Å; E53-R80 IonicContact OE1-CZ 2.89Å; E53-R80 IonicContact OE1-NE 3.49Å; E53-R80 PolarHBondContact OE1-NE 2.73Å; E53-R80 IonicContact OE1-NH2 2.7Å; E53-R80 PolarHBondContact OE1-NH2 3.4Å
54R94.8Very high95.8Very high156 Ų15630.7 Ų30.759%0.58916%0.159SC*.SBendtrans-117.2145.4-178-65.9-178-178.2174.80.1110N50 T52 A110N50-R54 PolarHBondContact ND2-O 3.42Å; T52-R54 PolarHBondContact O-N 3.26Å; T52-R54 PolarHBondContact OG1-N 3.27Å; T52-R54 PolarHBondContact OG1-O 3.03Å; R54-A110 HydrophobicContact CB-CB 4.42Å; R54-A110 HydrophobicContact CG-CB 4.49Å
55P96.6Very high95.6Very high20 Ų2033.6 Ų33.613%0.1318%0.178CC..  trans-65.3150.3175.327.9-34.2000111.4Y76 L77 A109P55-Y76 HydrophobicContact CB-CE1 4.34Å; P55-Y76 HydrophobicContact CB-CE2 3.77Å; P55-Y76 VanDerWaalsContact CB-CZ 3.49Å; P55-Y76 WeakPolarHBondContact CB-OH 3.31Å; P55-Y76 WeakPolarHBondContact CG-OH 3.47Å; P55-L77 CarbonylContact C-O 3.55Å; P55-L77 VanDerWaalsContact CA-O 3.23Å; P55-L77 WeakPolarHBondContact CA-O 3.42Å; P55-A109 HydrophobicContact CB-CB 4.36Å; P55-A109 HydrophobicContact CG-CB 4.43Å; P55-A109 WeakPolarHBondContact CG-O 3.32Å; P55-A109 PolarHBondContact O-N 2.79Å
56R96.7Very high95.3Very high18 Ų1834.1 Ų34.17%0.06818%0.177CC..EExtended strand (participates in β ladder)trans-131.2146.6-179.7-63.6-65.2176.2156.62.7110E23 L24 L77 V107E23-R56 IonicContact OE1-CZ 3.05Å; E23-R56 VanDerWaalsContact OE1-CZ 3.31Å; E23-R56 IonicContact OE1-NH1 3.31Å; E23-R56 PolarHBondContact OE1-NH1 2.97Å; E23-R56 IonicContact OE1-NH2 3.78Å; E23-R56 PolarHBondContact OE1-NH2 3.32Å; E23-R56 IonicContact OE2-CZ 2.6Å; E23-R56 VanDerWaalsContact OE2-CZ 3.3Å; E23-R56 IonicContact OE2-NH1 3.3Å; E23-R56 PolarHBondContact OE2-NH1 2.75Å; E23-R56 IonicContact OE2-NH2 3.42Å; E23-R56 PolarHBondContact OE2-NH2 2.72Å; L24-R56 HydrophobicContact CD2-CB 4.01Å; L24-R56 HydrophobicContact CD2-CG 4Å; R56-L77 PolarHBondContact N-O 3.16Å; R56-L77 PolarHBondContact O-N 3.03Å; R56-V107 WeakPolarHBondContact CA-O 3.33Å; R56-V107 VanDerWaalsContact CD-O 3.22Å; R56-V107 WeakPolarHBondContact CD-O 3.34Å
57M97.3Very high95.1Very high0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-110.5145.2163.4-70.8-178.3-162.900108.8A75 Y76 H106 V107 A109 Y112 F117 N118 Y121 F122M57-A75 WeakPolarHBondContact CA-O 3.4Å; M57-Y76 HydrophobicContact CE-CD2 3.76Å; M57-Y76 HydrophobicContact CE-CE2 4.29Å; M57-Y76 HydrophobicContact CG-CD2 3.73Å; M57-H106 CarbonylContact O-C 3.47Å; M57-H106 WeakPolarHBondContact O-CA 3.38Å; M57-H106 VanDerWaalsContact O-CB 3.24Å; M57-H106 WeakPolarHBondContact O-CB 3.34Å; M57-V107 HydrophobicContact CB-CG2 3.97Å; M57-V107 PolarHBondContact N-O 3.05Å; M57-V107 VanDerWaalsContact N-O 3.17Å; M57-V107 PolarHBondContact O-N 3.2Å; M57-A109 HydrophobicContact CE-CB 4.17Å; M57-A109 HydrophobicContact CG-CB 4.05Å; M57-Y112 HydrophobicContact CE-CD1 3.04Å; M57-Y112 HydrophobicContact CE-CD2 4.05Å; M57-Y112 HydrophobicContact CE-CE1 3.19Å; M57-Y112 HydrophobicContact CE-CE2 4.21Å; M57-Y112 HydrophobicContact CE-CG 3.48Å; M57-Y112 VanDerWaalsContact CE-CG 3.48Å; M57-F117 HydrophobicContact CB-CD2 4.07Å; M57-F117 HydrophobicContact CB-CE2 4.24Å; M57-F117 HydrophobicContact CG-CD2 4.33Å; M57-F117 HydrophobicContact SD-CD2 4.32Å; M57-N118 HydrophobicContact CE-CB 4.06Å; M57-N118 HydrophobicContact SD-CB 4.35Å; M57-N118 PolarHBondContact SD-N 2.85Å; M57-Y121 HydrophobicContact CE-CD1 4.1Å; M57-Y121 HydrophobicContact SD-CD1 4.14Å; M57-F122 HydrophobicContact CB-CD2 3.85Å; M57-F122 HydrophobicContact CB-CE2 4.41Å
58F96.8Very high95Very high0 Ų032.3 Ų32.30%017%0.166CC..EExtended strand (participates in β ladder)trans-131.3153.6170.575.4-100.7000111.9L24 V48 R74 A75 L77 A83 M85 I104 S105 H106 F117L24-F58 HydrophobicContact CD1-CB 4.21Å; V48-F58 HydrophobicContact CB-CD1 4.41Å; V48-F58 HydrophobicContact CB-CE1 3.97Å; V48-F58 HydrophobicContact CB-CZ 4.26Å; V48-F58 HydrophobicContact CG1-CD1 4.04Å; V48-F58 HydrophobicContact CG1-CE1 4.1Å; V48-F58 HydrophobicContact CG2-CE1 4.35Å; V48-F58 HydrophobicContact CG2-CE2 4.45Å; V48-F58 HydrophobicContact CG2-CZ 4.17Å; F58-R74 WeakPolarHBondContact O-CA 3.47Å; F58-A75 HydrophobicContact CD1-CB 4.16Å; F58-A75 HydrophobicContact CE1-CB 3.46Å; F58-A75 VanDerWaalsContact CE1-CB 3.46Å; F58-A75 HydrophobicContact CE2-CB 4.43Å; F58-A75 HydrophobicContact CZ-CB 3.6Å; F58-A75 PolarHBondContact N-O 2.83Å; F58-A75 PolarHBondContact O-N 2.66Å; F58-A75 VanDerWaalsContact O-N 3.16Å; F58-L77 HydrophobicContact CD1-CD1 3.83Å; F58-L77 HydrophobicContact CD1-CG 4.11Å; F58-L77 HydrophobicContact CE1-CD1 3.86Å; F58-L77 HydrophobicContact CE1-CD2 4.35Å; F58-L77 HydrophobicContact CE1-CG 4.02Å; F58-A83 HydrophobicContact CE1-CB 4.05Å; F58-A83 HydrophobicContact CZ-CB 4.14Å; F58-M85 HydrophobicContact CE2-CG 4.14Å; F58-M85 HydrophobicContact CE2-SD 3.75Å; F58-M85 HydrophobicContact CZ-CG 4.33Å; F58-M85 HydrophobicContact CZ-SD 4.45Å; F58-I104 HydrophobicContact CB-CG2 3.88Å; F58-I104 HydrophobicContact CD2-CG2 4.04Å; F58-I104 HydrophobicContact CG-CG2 4.14Å; F58-S105 CarbonylContact C-O 3.59Å; F58-S105 WeakPolarHBondContact CA-O 3.24Å; F58-S105 WeakPolarHBondContact CB-O 3.38Å; F58-H106 HydrophobicContact CB-CB 3.89Å; F58-F117 WeakPolarHBondContact O-CD2 3.22Å; F58-F117 WeakPolarHBondContact O-CE2 3.47Å
59S97.1Very high95Very high11 Ų1135.1 Ų35.18%0.07718%0.181CC..EExtended strand (participates in β ladder)trans-133128.8167.4-175.70000108.7N73 S105S59-N73 CarbonylContact C-O 3.54Å; S59-N73 VanDerWaalsContact CA-O 3.28Å; S59-N73 WeakPolarHBondContact CA-O 3.14Å; S59-S105 PolarHBondContact N-O 3.38Å; S59-S105 PolarHBondContact O-N 2.54Å
60A95.9Very high95Very high1 Ų134.8 Ų34.81%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-108.6141.8179.800000111.4N73 M85 V103 I104A60-N73 HydrophobicContact CB-CB 4.24Å; A60-N73 PolarHBondContact N-O 3.3Å; A60-N73 PolarHBondContact O-ND2 3Å; A60-M85 HydrophobicContact CB-CE 4.1Å; A60-M85 HydrophobicContact CB-SD 3.34Å; A60-M85 WeakPolarHBondContact CB-SD 3.36Å; A60-V103 CarbonylContact C-O 3.55Å; A60-V103 VanDerWaalsContact CA-O 3.24Å; A60-V103 WeakPolarHBondContact CA-O 3.49Å; A60-I104 HydrophobicContact CB-CG1 3.99Å
61V94.5Very high95Very high27 Ų2739.4 Ų39.416%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-141.9160.1-179-58.90000109.7M1 I6 I102 V103M1-V61 HydrophobicContact CE-CG1 4.15Å; M1-V61 HydrophobicContact SD-CB 3.91Å; M1-V61 HydrophobicContact SD-CG1 3.56Å; M1-V61 VanDerWaalsContact SD-CG1 3.56Å; M1-V61 HydrophobicContact SD-CG2 3.88Å; I6-V61 HydrophobicContact CD1-CG2 4.17Å; I6-V61 HydrophobicContact CG1-CG2 4.28Å; V61-I102 CarbonylContact O-C 3.54Å; V61-I102 WeakPolarHBondContact O-CA 3.4Å; V61-V103 HydrophobicContact CG2-CB 4.13Å; V61-V103 PolarHBondContact N-O 2.87Å; V61-V103 PolarHBondContact O-N 3.11Å
62T94.1Very high95Very high18 Ų1839.8 Ų39.811%0.1121%0.213CC..EExtended strand (participates in β ladder)trans-134148.1-177.9-178.50000112.5I6 A64 L68 I70 Y101I6-T62 WeakPolarHBondContact CD1-O 3.37Å; T62-A64 PolarHBondContact OG1-N 3.03Å; T62-L68 HydrophobicContact CG2-CB 4.38Å; T62-I70 HydrophobicContact CG2-CD1 3.78Å; T62-I70 HydrophobicContact CG2-CG1 4.39Å; T62-Y101 WeakPolarHBondContact CA-O 3.28Å; T62-Y101 WeakPolarHBondContact CB-O 3.25Å; T62-Y101 PolarHBondContact OG1-O 2.82Å
63T91.2Very high95.1Very high20 Ų2041.4 Ų41.412%0.12322%0.221CC..THydrogen-bonded Turntrans-71-19.9168.854.70000112.4I6 E100 Y101I6-T63 HydrophobicContact CB-CG2 3.79Å; I6-T63 HydrophobicContact CD1-CG2 3.79Å; I6-T63 HydrophobicContact CG1-CG2 4.39Å; I6-T63 HydrophobicContact CG2-CG2 3.31Å; T63-E100 VanDerWaalsContact CB-OE2 3.25Å; T63-E100 WeakPolarHBondContact CB-OE2 3.21Å; T63-E100 PolarHBondContact OG1-OE2 3.04Å; T63-Y101 HydrophobicContact CG2-CD2 4.32Å; T63-Y101 PolarHBondContact N-O 2.83Å; T63-Y101 VanDerWaalsContact N-O 3.11Å; T63-Y101 PolarHBondContact OG1-N 3.11Å
64A90.7Very high95.2Very high0 Ų040.8 Ų40.80%021%0.213CC..THydrogen-bonded Turntrans-103.534.1-170.900000112.1T62 H66 M67 L68 E100T62-A64 PolarHBondContact OG1-N 3.03Å; A64-H66 PolarHBondContact O-N 2.85Å; A64-M67 HydrophobicContact CB-CE 4.29Å; A64-M67 HydrophobicContact CB-CG 3.4Å; A64-M67 VanDerWaalsContact CB-CG 3.4Å; A64-M67 HydrophobicContact CB-SD 3.71Å; A64-M67 CarbonylContact O-C 3.44Å; A64-M67 WeakPolarHBondContact O-CG 3.31Å; A64-M67 PolarHBondContact O-N 2.89Å; A64-L68 HydrophobicContact CB-CD1 3.88Å; A64-L68 HydrophobicContact CB-CG 3.99Å; A64-L68 PolarHBondContact O-N 2.79Å; A64-E100 HydrophobicContact CB-CB 3.8Å; A64-E100 HydrophobicContact CB-CG 3.73Å; A64-E100 WeakPolarHBondContact CB-OE2 3.34Å; A64-E100 PolarHBondContact N-OE2 2.89Å
65S92.8Very high95.4Very high80 Ų8034.1 Ų34.156%0.55919%0.192SC*.THydrogen-bonded Turntrans-60.8-17-176.259.90000114.8M67S65-M67 VanDerWaalsContact C-N 3.34Å
66H91.2Very high95.4Very high97 Ų9735.4 Ų35.445%0.44919%0.194SC..THydrogen-bonded Turntrans-75.5-23.2173.361.8-80.8000112.8A64 R90A64-H66 PolarHBondContact O-N 2.85Å; H66-R90 PolarHBondContact O-NH1 2.9Å; H66-R90 VanDerWaalsContact O-NH1 3.08Å
67M93.6Very high95.5Very high0 Ų034.8 Ų34.80%019%0.192CC..THydrogen-bonded Turntrans-120.9-24.8-174.561.216487.400114.2A64 S65 L89 R90 T93 E100 F137A64-M67 HydrophobicContact CB-CE 4.29Å; A64-M67 HydrophobicContact CB-CG 3.4Å; A64-M67 VanDerWaalsContact CB-CG 3.4Å; A64-M67 HydrophobicContact CB-SD 3.71Å; A64-M67 CarbonylContact O-C 3.44Å; A64-M67 WeakPolarHBondContact O-CG 3.31Å; A64-M67 PolarHBondContact O-N 2.89Å; S65-M67 VanDerWaalsContact C-N 3.34Å; M67-L89 HydrophobicContact CB-CD1 4.22Å; M67-L89 WeakPolarHBondContact O-CA 3.14Å; M67-L89 HydrophobicContact SD-CD1 4.43Å; M67-R90 PolarHBondContact O-N 2.95Å; M67-T93 HydrophobicContact CB-CG2 4.45Å; M67-T93 VanDerWaalsContact CB-OG1 3.23Å; M67-T93 WeakPolarHBondContact CB-OG1 3.41Å; M67-E100 HydrophobicContact CE-CG 4.13Å; M67-E100 HydrophobicContact SD-CG 4.29Å; M67-F137 HydrophobicContact SD-CE1 4.35Å; M67-F137 HydrophobicContact SD-CE2 3.98Å; M67-F137 HydrophobicContact SD-CZ 3.47Å; M67-F137 WeakPolarHBondContact SD-CZ 3.28Å
68L95.5Very high95.5Very high4 Ų440.4 Ų40.42%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-113.3130.6-178.7-61.8-179.6000111.1F34 T62 A64 I87 T88 L89 I102 V135F34-L68 HydrophobicContact CE2-CD2 3.93Å; F34-L68 HydrophobicContact CZ-CD2 4.25Å; T62-L68 HydrophobicContact CG2-CB 4.38Å; A64-L68 HydrophobicContact CB-CD1 3.88Å; A64-L68 HydrophobicContact CB-CG 3.99Å; A64-L68 PolarHBondContact O-N 2.79Å; L68-I87 HydrophobicContact CB-CG2 4.47Å; L68-I87 HydrophobicContact CD1-CG2 4.35Å; L68-I87 HydrophobicContact CD2-CG2 4.12Å; L68-T88 WeakPolarHBondContact CA-O 3.4Å; L68-L89 HydrophobicContact CD2-CB 3.84Å; L68-L89 HydrophobicContact CD2-CD1 3.84Å; L68-L89 HydrophobicContact CD2-CG 4.44Å; L68-I102 HydrophobicContact CD1-CD1 4.33Å; L68-I102 HydrophobicContact CD1-CG1 4.44Å; L68-V135 HydrophobicContact CD1-CG1 4.24Å; L68-V135 HydrophobicContact CD1-CG2 4.09Å
69D95.9Very high95.5Very high58 Ų5842.6 Ų42.631%0.3123%0.231SC..EExtended strand (participates in β ladder)trans-102.3134.8165.3-64.3-53.7000109.2I87 T88 R90D69-I87 WeakPolarHBondContact O-CA 3.46Å; D69-T88 PolarHBondContact N-O 3.49Å; D69-T88 PolarHBondContact O-N 2.77Å; D69-R90 IonicContact OD1-CZ 3.17Å; D69-R90 IonicContact OD1-NE 3.15Å; D69-R90 PolarHBondContact OD1-NE 2.88Å; D69-R90 IonicContact OD1-NH2 3.52Å; D69-R90 PolarHBondContact OD1-NH2 2.86Å; D69-R90 IonicContact OD2-CZ 2.79Å; D69-R90 IonicContact OD2-NE 2.66Å; D69-R90 PolarHBondContact OD2-NE 2.81Å; D69-R90 IonicContact OD2-NH2 3.11Å
70I97.2Very high95.4Very high29 Ų2948.7 Ų48.715%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-122.1108.5-177.8-53.5-175.3000109.3T62 N73 M85 I87 I102T62-I70 HydrophobicContact CG2-CD1 3.78Å; T62-I70 HydrophobicContact CG2-CG1 4.39Å; I70-N73 HydrophobicContact CB-CB 4.28Å; I70-N73 HydrophobicContact CG2-CB 3.58Å; I70-M85 HydrophobicContact CG2-CB 4.44Å; I70-M85 HydrophobicContact CG2-SD 4.39Å; I70-I87 HydrophobicContact CB-CD1 4.18Å; I70-I87 HydrophobicContact CD1-CD1 4.28Å; I70-I87 HydrophobicContact CG1-CD1 3.88Å; I70-I87 HydrophobicContact CG2-CD1 3.67Å; I70-I102 HydrophobicContact CD1-CD1 4.39Å; I70-I102 HydrophobicContact CD1-CG1 4.19Å; I70-I102 HydrophobicContact CD1-CG2 4.24Å
71D97.2Very high95.5Very high97 Ų9752.6 Ų52.652%0.51927%0.273SS..EExtended strand (participates in β ladder)trans-92.3143.9170.5-62.8-42.6000110.6N73 M85 H86D71-N73 VanDerWaalsContact C-N 3.29Å; D71-M85 CarbonylContact O-C 3.55Å; D71-M85 VanDerWaalsContact O-CA 3.31Å; D71-M85 WeakPolarHBondContact O-CA 3.38Å; D71-H86 HydrophobicContact CB-CB 4.25Å; D71-H86 PolarHBondContact N-O 3.47Å; D71-H86 PolarHBondContact O-N 2.74Å
72G96.4Very high95.7Very high42 Ų4254.3 Ų54.343%0.43329%0.286SS..THydrogen-bonded Turntrans73.321.3-177.500000113.7R74 M85G72-R74 PolarHBondContact O-N 3.09Å; G72-M85 WeakPolarHBondContact O-CG 3.39Å
73N96.8Very high95.8Very high57 Ų5754.6 Ų54.631%0.30529%0.29SS..  trans-63.4-6.6-176.675.4-36.8000114.7S59 A60 I70 D71S59-N73 CarbonylContact C-O 3.54Å; S59-N73 VanDerWaalsContact CA-O 3.28Å; S59-N73 WeakPolarHBondContact CA-O 3.14Å; A60-N73 HydrophobicContact CB-CB 4.24Å; A60-N73 PolarHBondContact N-O 3.3Å; A60-N73 PolarHBondContact O-ND2 3Å; I70-N73 HydrophobicContact CB-CB 4.28Å; I70-N73 HydrophobicContact CG2-CB 3.58Å; D71-N73 VanDerWaalsContact C-N 3.29Å
74R97.7Very high96.2Very high121 Ų12156.5 Ų56.546%0.45730%0.302SS..EExtended strand (participates in β ladder)trans-134.2131.9178.2-71.2171.6172.6-173.6-2.5109.6F58 G72 F117F58-R74 WeakPolarHBondContact O-CA 3.47Å; G72-R74 PolarHBondContact O-N 3.09Å; R74-F117 HydrophobicContact CB-CD1 4.02Å; R74-F117 HydrophobicContact CB-CD2 3.98Å; R74-F117 HydrophobicContact CB-CE1 4.21Å; R74-F117 HydrophobicContact CB-CE2 4.17Å; R74-F117 HydrophobicContact CB-CG 3.9Å; R74-F117 HydrophobicContact CB-CZ 4.29Å; R74-F117 HydrophobicContact CG-CD1 4.33Å; R74-F117 HydrophobicContact CG-CD2 4.49Å; R74-F117 HydrophobicContact CG-CE1 4.02Å; R74-F117 HydrophobicContact CG-CE2 4.19Å; R74-F117 HydrophobicContact CG-CZ 3.95Å
75A97.8Very high96.5Very high17 Ų1756.5 Ų56.514%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-152.4157.9173.700000112.9M57 F58 A83M57-A75 WeakPolarHBondContact CA-O 3.4Å; F58-A75 HydrophobicContact CD1-CB 4.16Å; F58-A75 HydrophobicContact CE1-CB 3.46Å; F58-A75 VanDerWaalsContact CE1-CB 3.46Å; F58-A75 HydrophobicContact CE2-CB 4.43Å; F58-A75 HydrophobicContact CZ-CB 3.6Å; F58-A75 PolarHBondContact N-O 2.83Å; F58-A75 PolarHBondContact O-N 2.66Å; F58-A75 VanDerWaalsContact O-N 3.16Å; A75-A83 HydrophobicContact CB-CB 3.98Å
76Y98Very high96.7Very high47 Ų4757 Ų5718%0.18430%0.295CS..EExtended strand (participates in β ladder)trans-101.6121.6162.5175.2-91.3000108.5P55 M57 K78 A109 Y112 N115P55-Y76 HydrophobicContact CB-CE1 4.34Å; P55-Y76 HydrophobicContact CB-CE2 3.77Å; P55-Y76 VanDerWaalsContact CB-CZ 3.49Å; P55-Y76 WeakPolarHBondContact CB-OH 3.31Å; P55-Y76 WeakPolarHBondContact CG-OH 3.47Å; M57-Y76 HydrophobicContact CE-CD2 3.76Å; M57-Y76 HydrophobicContact CE-CE2 4.29Å; M57-Y76 HydrophobicContact CG-CD2 3.73Å; Y76-K78 HydrophobicContact CE1-CG 3.94Å; Y76-A109 HydrophobicContact CD2-CB 4.23Å; Y76-A109 HydrophobicContact CE2-CB 3.79Å; Y76-Y112 HydrophobicContact CD2-CD1 4.34Å; Y76-Y112 HydrophobicContact CE2-CD1 4.04Å; Y76-N115 WeakPolarHBondContact CD1-O 3.47Å
77L97.8Very high97Very high5 Ų552.4 Ų52.43%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-106.4116.1178.2-63.9-179.8000109.3L24 V48 N50 P55 R56 F58 A83L24-L77 HydrophobicContact CD2-CD1 4.18Å; V48-L77 HydrophobicContact CG1-CD1 4.13Å; N50-L77 HydrophobicContact CB-CB 3.8Å; N50-L77 HydrophobicContact CB-CD1 4.03Å; N50-L77 PolarHBondContact ND2-O 3.03Å; P55-L77 CarbonylContact C-O 3.55Å; P55-L77 VanDerWaalsContact CA-O 3.23Å; P55-L77 WeakPolarHBondContact CA-O 3.42Å; R56-L77 PolarHBondContact N-O 3.16Å; R56-L77 PolarHBondContact O-N 3.03Å; F58-L77 HydrophobicContact CD1-CD1 3.83Å; F58-L77 HydrophobicContact CD1-CG 4.11Å; F58-L77 HydrophobicContact CE1-CD1 3.86Å; F58-L77 HydrophobicContact CE1-CD2 4.35Å; F58-L77 HydrophobicContact CE1-CG 4.02Å; L77-A83 HydrophobicContact CD2-CB 3.63Å
78K97.1Very high97.2Very high118 Ų11853.8 Ų53.851%0.51328%0.282SS..  trans-58.6162.1163-69.7-176.8-179.7-179.30110.4N50 Y76 R80 N81N50-K78 PolarHBondContact ND2-O 2.95Å; Y76-K78 HydrophobicContact CE1-CG 3.94Å; K78-R80 PolarHBondContact O-N 3.11Å; K78-N81 HydrophobicContact CB-CB 4.24Å; K78-N81 PolarHBondContact O-N 2.93Å
79P96.9Very high97.3Very high46 Ų4653.7 Ų53.730%0.29928%0.282SS..THydrogen-bonded Turntrans-48.1135.8169.5-28.136.3000111.2T52 E53 N81T52-P79 WeakPolarHBondContact O-CA 3.37Å; E53-P79 VanDerWaalsContact O-CG 3.28Å; E53-P79 WeakPolarHBondContact O-CG 3.49Å; P79-N81 PolarHBondContact O-N 3.05Å
80R96.2Very high97.3Very high139 Ų13955.5 Ų55.553%0.52528%0.284SS..THydrogen-bonded Turntrans61.49.5176.9-50.4-57.9-176.1178.1-7.6116.3N50 V51 E53 K78N50-R80 WeakPolarHBondContact O-CA 3.27Å; N50-R80 PolarHBondContact O-N 3.17Å; N50-R80 VanDerWaalsContact O-N 3.11Å; V51-R80 PolarHBondContact O-NH1 3.43Å; V51-R80 PolarHBondContact O-NH2 3.26Å; E53-R80 IonicContact OE1-CZ 2.89Å; E53-R80 IonicContact OE1-NE 3.49Å; E53-R80 PolarHBondContact OE1-NE 2.73Å; E53-R80 IonicContact OE1-NH2 2.7Å; E53-R80 PolarHBondContact OE1-NH2 3.4Å; K78-R80 PolarHBondContact O-N 3.11Å
81N97.3Very high97.2Very high83 Ų8356.7 Ų56.744%0.44429%0.294SS..  trans-95.5159.7175.8-82.811.6000112.4N50 K78 P79N50-N81 PolarHBondContact N-O 3.37Å; K78-N81 HydrophobicContact CB-CB 4.24Å; K78-N81 PolarHBondContact O-N 2.93Å; P79-N81 PolarHBondContact O-N 3.05Å
82S97.7Very high96.9Very high63 Ų6358.1 Ų58.144%0.44130%0.302SS..EExtended strand (participates in β ladder)trans-123157.7176.2-49.60000111.8V48 T49V48-S82 CarbonylContact O-C 3.54Å; V48-S82 WeakPolarHBondContact O-CA 3.42Å; V48-S82 WeakPolarHBondContact O-CB 3.48Å; T49-S82 WeakPolarHBondContact CB-OG 3.48Å; T49-S82 WeakPolarHBondContact CG2-OG 3.35Å; T49-S82 PolarHBondContact OG1-OG 3.16Å
83A97.8Very high96.7Very high24 Ų2457.6 Ų57.620%0.19829%0.29CS..EExtended strand (participates in β ladder)trans-131.8148.2165.800000109.2T47 V48 F58 A75 L77T47-A83 CarbonylContact C-O 3.55Å; T47-A83 WeakPolarHBondContact CA-O 3.31Å; V48-A83 PolarHBondContact N-O 2.77Å; V48-A83 PolarHBondContact O-N 3.19Å; F58-A83 HydrophobicContact CE1-CB 4.05Å; F58-A83 HydrophobicContact CZ-CB 4.14Å; A75-A83 HydrophobicContact CB-CB 3.98Å; L77-A83 HydrophobicContact CD2-CB 3.63Å
84T97.9Very high96.3Very high59 Ų5955.7 Ų55.736%0.36228%0.282SS..EExtended strand (participates in β ladder)trans-107.7125.2177.7-59.20000109.4N45 I46 T47N45-T84 HydrophobicContact CB-CG2 3.83Å; I46-T84 WeakPolarHBondContact O-CA 3.13Å; T47-T84 PolarHBondContact OG1-OG1 3.03Å
85M97.7Very high95.8Very high0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-89.9136.7166.9-60.4-175.4-70.200109.1N45 I46 V48 F58 A60 I70 D71 G72 I87 I104N45-M85 WeakPolarHBondContact CA-O 3.14Å; I46-M85 HydrophobicContact CB-CB 4.44Å; I46-M85 HydrophobicContact CB-CE 3.78Å; I46-M85 HydrophobicContact CD1-CE 4.18Å; I46-M85 HydrophobicContact CG2-CE 3.65Å; I46-M85 PolarHBondContact N-O 3.31Å; I46-M85 PolarHBondContact O-N 3.41Å; V48-M85 HydrophobicContact CG2-CE 3.6Å; F58-M85 HydrophobicContact CE2-CG 4.14Å; F58-M85 HydrophobicContact CE2-SD 3.75Å; F58-M85 HydrophobicContact CZ-CG 4.33Å; F58-M85 HydrophobicContact CZ-SD 4.45Å; A60-M85 HydrophobicContact CB-CE 4.1Å; A60-M85 HydrophobicContact CB-SD 3.34Å; A60-M85 WeakPolarHBondContact CB-SD 3.36Å; I70-M85 HydrophobicContact CG2-CB 4.44Å; I70-M85 HydrophobicContact CG2-SD 4.39Å; D71-M85 CarbonylContact O-C 3.55Å; D71-M85 VanDerWaalsContact O-CA 3.31Å; D71-M85 WeakPolarHBondContact O-CA 3.38Å; G72-M85 WeakPolarHBondContact O-CG 3.39Å; M85-I87 HydrophobicContact CB-CD1 4.2Å; M85-I104 HydrophobicContact CE-CD1 3.61Å; M85-I104 HydrophobicContact CE-CG1 3.86Å
86H97.9Very high95.2Very high91 Ų9159.1 Ų59.142%0.42130%0.303SS..EExtended strand (participates in β ladder)trans-102.9120.4175.3-56.6-68.4000109N45 D71N45-H86 PolarHBondContact OD1-ND1 3.08Å; D71-H86 HydrophobicContact CB-CB 4.25Å; D71-H86 PolarHBondContact N-O 3.47Å; D71-H86 PolarHBondContact O-N 2.74Å
87I97.4Very high94.5Very high0 Ų060.6 Ų60.60%033%0.332CS..EExtended strand (participates in β ladder)trans-105.3121-178.5-43-56.7000107.8L32 F34 K43 A44 I46 L68 D69 I70 M85 I102L32-I87 HydrophobicContact CD2-CB 4.11Å; L32-I87 HydrophobicContact CD2-CG1 3.91Å; L32-I87 HydrophobicContact CD2-CG2 4.05Å; F34-I87 HydrophobicContact CE2-CG2 4.23Å; F34-I87 HydrophobicContact CZ-CB 4.14Å; F34-I87 HydrophobicContact CZ-CG2 3.77Å; K43-I87 CarbonylContact C-O 3.53Å; K43-I87 VanDerWaalsContact CA-O 3.32Å; K43-I87 WeakPolarHBondContact CA-O 3.47Å; A44-I87 PolarHBondContact N-O 2.89Å; A44-I87 PolarHBondContact O-N 2.7Å; I46-I87 HydrophobicContact CD1-CD1 3.98Å; I46-I87 HydrophobicContact CD1-CG1 3.89Å; I46-I87 HydrophobicContact CG1-CG1 4.09Å; L68-I87 HydrophobicContact CB-CG2 4.47Å; L68-I87 HydrophobicContact CD1-CG2 4.35Å; L68-I87 HydrophobicContact CD2-CG2 4.12Å; D69-I87 WeakPolarHBondContact O-CA 3.46Å; I70-I87 HydrophobicContact CB-CD1 4.18Å; I70-I87 HydrophobicContact CD1-CD1 4.28Å; I70-I87 HydrophobicContact CG1-CD1 3.88Å; I70-I87 HydrophobicContact CG2-CD1 3.67Å; M85-I87 HydrophobicContact CB-CD1 4.2Å; I87-I102 HydrophobicContact CD1-CD1 4.02Å; I87-I102 HydrophobicContact CG1-CD1 4.15Å; I87-I102 HydrophobicContact CG2-CD1 4.13Å
88T97.1Very high93.9Very high30 Ų3061.9 Ų61.918%0.18434%0.341CS..EExtended strand (participates in β ladder)trans-112.8116.6174.5-57.80000109.4P41 R42 L68 D69P41-T88 HydrophobicContact CB-CG2 4.27Å; R42-T88 CarbonylContact O-C 3.31Å; R42-T88 WeakPolarHBondContact O-CA 3.44Å; L68-T88 WeakPolarHBondContact CA-O 3.4Å; D69-T88 PolarHBondContact N-O 3.49Å; D69-T88 PolarHBondContact O-N 2.77Å
89L96.8Very high93.4Very high2 Ų260.2 Ų60.21%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-81.9126.3167.5171.165.6000109.2F34 F38 P41 R42 M67 L68 A94 F137F34-L89 HydrophobicContact CB-CD2 3.91Å; F34-L89 HydrophobicContact CD1-CB 4.09Å; F34-L89 HydrophobicContact CD1-CD2 4.11Å; F34-L89 HydrophobicContact CD2-CD2 4.39Å; F34-L89 HydrophobicContact CE1-CB 3.93Å; F34-L89 HydrophobicContact CE2-CB 4.47Å; F34-L89 HydrophobicContact CG-CB 4.41Å; F34-L89 HydrophobicContact CG-CD2 3.89Å; F34-L89 HydrophobicContact CZ-CB 4.14Å; F38-L89 HydrophobicContact CD1-CD2 3.76Å; F38-L89 HydrophobicContact CE1-CD2 4.02Å; P41-L89 VanDerWaalsContact CA-O 3.28Å; P41-L89 WeakPolarHBondContact CA-O 3.4Å; R42-L89 HydrophobicContact CB-CB 4.11Å; R42-L89 HydrophobicContact CB-CD2 4.14Å; R42-L89 HydrophobicContact CG-CD2 4.28Å; R42-L89 PolarHBondContact N-O 2.85Å; R42-L89 PolarHBondContact O-N 3.3Å; M67-L89 HydrophobicContact CB-CD1 4.22Å; M67-L89 WeakPolarHBondContact O-CA 3.14Å; M67-L89 HydrophobicContact SD-CD1 4.43Å; L68-L89 HydrophobicContact CD2-CB 3.84Å; L68-L89 HydrophobicContact CD2-CD1 3.84Å; L68-L89 HydrophobicContact CD2-CG 4.44Å; L89-A94 HydrophobicContact CD1-CB 4.35Å; L89-A94 HydrophobicContact CD2-CB 4.09Å; L89-F137 HydrophobicContact CD1-CE1 3.84Å; L89-F137 HydrophobicContact CD1-CZ 4.47Å; L89-F137 HydrophobicContact CD2-CD1 4.01Å; L89-F137 HydrophobicContact CD2-CE1 3.82Å; L89-F137 HydrophobicContact CG-CE1 4.44Å
90R95.7Very high93.2Very high96 Ų9658.5 Ų58.536%0.36233%0.329SS..PPolyproline II helixtrans-69.8149.6178-64.4177.7-175.2167.80.7111.2H66 M67 D69 T93H66-R90 PolarHBondContact O-NH1 2.9Å; H66-R90 VanDerWaalsContact O-NH1 3.08Å; M67-R90 PolarHBondContact O-N 2.95Å; D69-R90 IonicContact OD1-CZ 3.17Å; D69-R90 IonicContact OD1-NE 3.15Å; D69-R90 PolarHBondContact OD1-NE 2.88Å; D69-R90 IonicContact OD1-NH2 3.52Å; D69-R90 PolarHBondContact OD1-NH2 2.86Å; D69-R90 IonicContact OD2-CZ 2.79Å; D69-R90 IonicContact OD2-NE 2.66Å; D69-R90 PolarHBondContact OD2-NE 2.81Å; D69-R90 IonicContact OD2-NH2 3.11Å; R90-T93 HydrophobicContact CB-CG2 3.97Å; R90-T93 PolarHBondContact O-OG1 2.8Å
91P95.1Very high93.1Very high53 Ų5355 Ų5534%0.34432%0.316SS..THydrogen-bonded Turntrans-58.3141.5173.5-23.733.3000112.6F38 P41 T93F38-P91 CarbonylContact O-C 3.57Å; F38-P91 WeakPolarHBondContact O-CA 3.41Å; P41-P91 HydrophobicContact CB-CG 4.42Å; P41-P91 HydrophobicContact CG-CG 3.67Å; P91-T93 PolarHBondContact O-N 3Å; P91-T93 VanDerWaalsContact O-N 3.12Å
92N91.7Very high92.9Very high128 Ų12851 Ų5168%0.68430%0.295SS*.THydrogen-bonded Turntrans58.719.4172.1-55.4-54.7000115.4F38F38-N92 PolarHBondContact O-N 2.79Å
93T92.6Very high92.7Very high30 Ų3048 Ų4818%0.18427%0.274CS..  trans-108.9-6.7177.659.60000113.7M67 R90 P91M67-T93 HydrophobicContact CB-CG2 4.45Å; M67-T93 VanDerWaalsContact CB-OG1 3.23Å; M67-T93 WeakPolarHBondContact CB-OG1 3.41Å; R90-T93 HydrophobicContact CB-CG2 3.97Å; R90-T93 PolarHBondContact O-OG1 2.8Å; P91-T93 PolarHBondContact O-N 3Å; P91-T93 VanDerWaalsContact O-N 3.12Å
94A89.1Confident92.6Very high18 Ų1846.9 Ų46.915%0.14927%0.265CS..  trans-72.6134.2-179.800000111.1F38 L89 F137F38-A94 HydrophobicContact CB-CB 3.83Å; F38-A94 HydrophobicContact CD1-CB 3.81Å; F38-A94 HydrophobicContact CD2-CB 3.65Å; F38-A94 HydrophobicContact CE1-CB 4.26Å; F38-A94 HydrophobicContact CE2-CB 4.11Å; F38-A94 HydrophobicContact CG-CB 3.48Å; F38-A94 VanDerWaalsContact CG-CB 3.48Å; F38-A94 HydrophobicContact CZ-CB 4.39Å; L89-A94 HydrophobicContact CD1-CB 4.35Å; L89-A94 HydrophobicContact CD2-CB 4.09Å; A94-F137 HydrophobicContact CB-CD1 3.86Å; A94-F137 HydrophobicContact CB-CE1 4.28Å; A94-F137 HydrophobicContact CB-CG 4.23Å
95H87.1Confident92.4Very high104 Ų10444.8 Ų44.848%0.48125%0.252SS..  trans-117.5103.8175.8-63.8-55.5000109.6G97 S98 F137H95-G97 PolarHBondContact O-N 2.78Å; H95-S98 WeakPolarHBondContact O-CB 3.4Å; H95-S98 PolarHBondContact O-N 2.88Å; H95-S98 PolarHBondContact O-OG 3.45Å; H95-F137 WeakPolarHBondContact O-CD2 3.12Å
96I85Confident92.3Very high106 Ų10645.1 Ų45.154%0.54425%0.254SS..THydrogen-bonded Turntrans-61.3128.3176-62160.4000108.4F38 F137 V139F38-I96 HydrophobicContact CE2-CD1 4.26Å; F38-I96 HydrophobicContact CE2-CG1 4.04Å; I96-F137 HydrophobicContact CG1-CB 4.42Å; I96-V139 HydrophobicContact CD1-CG2 3.44Å; I96-V139 VanDerWaalsContact CD1-CG2 3.44Å
97G82.7Confident92.1Very high77 Ų7740.8 Ų40.879%0.79423%0.234SC*.THydrogen-bonded Turntrans89.8-4.5-176.500000115.3H95H95-G97 PolarHBondContact O-N 2.78Å
98S86.2Confident92Very high32 Ų3242.5 Ų42.522%0.22425%0.245CC..  trans-78138.3167.367.50000110.7H95H95-S98 WeakPolarHBondContact O-CB 3.4Å; H95-S98 PolarHBondContact O-N 2.88Å; H95-S98 PolarHBondContact O-OG 3.45Å
99T86.1Confident91.9Very high83 Ų8341.1 Ų41.151%0.50924%0.237SC..  trans-96.8112.2169.9-49.90000109.2Y101 V134T99-Y101 HydrophobicContact CG2-CE1 4.34Å; T99-Y101 HydrophobicContact CG2-CE2 3.68Å; T99-Y101 WeakPolarHBondContact CG2-OH 3.27Å; T99-V134 HydrophobicContact CG2-CG1 4.07Å
100E92Very high91.8Very high10 Ų1043.8 Ų43.85%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-115.8160.5176.7-63.9-64160.600109.8T63 A64 M67 V134 V135 F137T63-E100 VanDerWaalsContact CB-OE2 3.25Å; T63-E100 WeakPolarHBondContact CB-OE2 3.21Å; T63-E100 PolarHBondContact OG1-OE2 3.04Å; A64-E100 HydrophobicContact CB-CB 3.8Å; A64-E100 HydrophobicContact CB-CG 3.73Å; A64-E100 WeakPolarHBondContact CB-OE2 3.34Å; A64-E100 PolarHBondContact N-OE2 2.89Å; M67-E100 HydrophobicContact CE-CG 4.13Å; M67-E100 HydrophobicContact SD-CG 4.29Å; E100-V134 CarbonylContact O-C 3.49Å; E100-V135 HydrophobicContact CB-CB 4.07Å; E100-V135 PolarHBondContact O-N 3.5Å; E100-F137 HydrophobicContact CG-CE2 4.25Å
101Y93.2Very high91.6Very high66 Ų6643 Ų4326%0.25927%0.273SS..EExtended strand (participates in β ladder)trans-133.3149-176-60.1-93.5000112.2L10 T62 T63 T99 L133 V134L10-Y101 HydrophobicContact CD1-CD1 4.01Å; L10-Y101 HydrophobicContact CD1-CD2 3.52Å; L10-Y101 HydrophobicContact CD1-CE1 4.06Å; L10-Y101 HydrophobicContact CD1-CE2 3.6Å; L10-Y101 HydrophobicContact CD1-CG 3.73Å; L10-Y101 HydrophobicContact CD2-CD1 3.85Å; L10-Y101 HydrophobicContact CD2-CE1 4.06Å; L10-Y101 HydrophobicContact CD2-CG 4.23Å; T62-Y101 WeakPolarHBondContact CA-O 3.28Å; T62-Y101 WeakPolarHBondContact CB-O 3.25Å; T62-Y101 PolarHBondContact OG1-O 2.82Å; T63-Y101 HydrophobicContact CG2-CD2 4.32Å; T63-Y101 PolarHBondContact N-O 2.83Å; T63-Y101 VanDerWaalsContact N-O 3.11Å; T63-Y101 PolarHBondContact OG1-N 3.11Å; T99-Y101 HydrophobicContact CG2-CE1 4.34Å; T99-Y101 HydrophobicContact CG2-CE2 3.68Å; T99-Y101 WeakPolarHBondContact CG2-OH 3.27Å; Y101-L133 CarbonylContact C-O 3.48Å; Y101-L133 VanDerWaalsContact CA-O 3.27Å; Y101-L133 WeakPolarHBondContact CA-O 3.14Å; Y101-V134 HydrophobicContact CD1-CG2 4.26Å; Y101-V134 HydrophobicContact CE1-CG2 3.88Å
102I94.3Very high91.6Very high0 Ų042.8 Ų42.80%027%0.266CS..EExtended strand (participates in β ladder)trans-114.5117.9160.7-64.8167.5000107L32 I46 V61 L68 I70 I87 L133 V135L32-I102 HydrophobicContact CD2-CD1 3.86Å; I46-I102 HydrophobicContact CD1-CB 4.46Å; I46-I102 HydrophobicContact CD1-CD1 3.64Å; I46-I102 HydrophobicContact CD1-CG2 4.14Å; V61-I102 CarbonylContact O-C 3.54Å; V61-I102 WeakPolarHBondContact O-CA 3.4Å; L68-I102 HydrophobicContact CD1-CD1 4.33Å; L68-I102 HydrophobicContact CD1-CG1 4.44Å; I70-I102 HydrophobicContact CD1-CD1 4.39Å; I70-I102 HydrophobicContact CD1-CG1 4.19Å; I70-I102 HydrophobicContact CD1-CG2 4.24Å; I87-I102 HydrophobicContact CD1-CD1 4.02Å; I87-I102 HydrophobicContact CG1-CD1 4.15Å; I87-I102 HydrophobicContact CG2-CD1 4.13Å; I102-L133 PolarHBondContact N-O 2.89Å; I102-L133 PolarHBondContact O-N 3.41Å; I102-V135 HydrophobicContact CD1-CG2 3.9Å; I102-V135 HydrophobicContact CG1-CG2 3.87Å
103V94Very high91.7Very high0 Ų045 Ų450%028%0.277CS..EExtended strand (participates in β ladder)trans-104.3122.3179.2176.10000109.2I6 I9 A60 V61 R130 I131 A132I6-V103 HydrophobicContact CG2-CG2 3.68Å; I9-V103 HydrophobicContact CD1-CG1 4.48Å; I9-V103 HydrophobicContact CG2-CG1 3.85Å; I9-V103 HydrophobicContact CG2-CG2 4.44Å; A60-V103 CarbonylContact C-O 3.55Å; A60-V103 VanDerWaalsContact CA-O 3.24Å; A60-V103 WeakPolarHBondContact CA-O 3.49Å; V61-V103 HydrophobicContact CG2-CB 4.13Å; V61-V103 PolarHBondContact N-O 2.87Å; V61-V103 PolarHBondContact O-N 3.11Å; V103-R130 HydrophobicContact CG1-CB 4.48Å; V103-I131 CarbonylContact C-O 3.51Å; V103-I131 WeakPolarHBondContact CA-O 3.33Å; V103-A132 HydrophobicContact CG2-CB 4.3Å
104I94.6Very high91.7Very high0 Ų044.7 Ų44.70%028%0.281CS..EExtended strand (participates in β ladder)trans-102.8107.5174.7-58.2162.7000107.3T26 I46 V48 F58 A60 M85 R130 I131 L133T26-I104 HydrophobicContact CG2-CD1 3.59Å; I46-I104 HydrophobicContact CG2-CD1 4.34Å; V48-I104 HydrophobicContact CG2-CD1 3.95Å; F58-I104 HydrophobicContact CB-CG2 3.88Å; F58-I104 HydrophobicContact CD2-CG2 4.04Å; F58-I104 HydrophobicContact CG-CG2 4.14Å; A60-I104 HydrophobicContact CB-CG1 3.99Å; M85-I104 HydrophobicContact CE-CD1 3.61Å; M85-I104 HydrophobicContact CE-CG1 3.86Å; I104-R130 CarbonylContact O-C 3.5Å; I104-R130 VanDerWaalsContact O-CA 3.31Å; I104-R130 WeakPolarHBondContact O-CA 3.38Å; I104-I131 HydrophobicContact CB-CB 4.45Å; I104-I131 PolarHBondContact N-O 2.76Å; I104-I131 PolarHBondContact O-N 3.44Å; I104-L133 HydrophobicContact CD1-CD1 3.7Å; I104-L133 HydrophobicContact CG1-CD1 4.49Å
105S93.8Very high92Very high14 Ų1449.3 Ų49.310%0.09830%0.303CS..EExtended strand (participates in β ladder)trans-89.2140170-61.30000109.4F58 S59 F122 R129 R130F58-S105 CarbonylContact C-O 3.59Å; F58-S105 WeakPolarHBondContact CA-O 3.24Å; F58-S105 WeakPolarHBondContact CB-O 3.38Å; S59-S105 PolarHBondContact N-O 3.38Å; S59-S105 PolarHBondContact O-N 2.54Å; S105-F122 WeakPolarHBondContact O-CZ 3.24Å; S105-R129 CarbonylContact C-O 3.56Å; S105-R129 WeakPolarHBondContact CA-O 3.42Å; S105-R130 PolarHBondContact OG-NE 2.88Å
106H95Very high92.4Very high7 Ų751 Ų513%0.03231%0.311CS..EExtended strand (participates in β ladder)trans-145.1155.7179.267.492.4000113.6E23 L24 M57 F58 R129E23-H106 IonicContact OE2-CE1 3.55Å; E23-H106 PolarHBondContact OE2-CE1 2.86Å; E23-H106 IonicContact OE2-ND1 3.47Å; L24-H106 HydrophobicContact CD1-CB 3.44Å; L24-H106 VanDerWaalsContact CD1-CB 3.44Å; L24-H106 VanDerWaalsContact CD1-CG 3.41Å; L24-H106 HydrophobicContact CG-CB 4.35Å; M57-H106 CarbonylContact O-C 3.47Å; M57-H106 WeakPolarHBondContact O-CA 3.38Å; M57-H106 VanDerWaalsContact O-CB 3.24Å; M57-H106 WeakPolarHBondContact O-CB 3.34Å; F58-H106 HydrophobicContact CB-CB 3.89Å; H106-R129 PolarHBondContact CD2-O 2.8Å; H106-R129 WeakPolarHBondContact CE1-CB 3.28Å; H106-R129 PolarHBondContact N-O 2.83Å; H106-R129 WeakPolarHBondContact NE2-CB 3.42Å; H106-R129 PolarHBondContact O-N 2.85Å
107V95.3Very high93Very high1 Ų148.2 Ų48.21%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-134.8155.6-176.8-55.90000110.5R56 M57 Y121 F122 C125 T128R56-V107 WeakPolarHBondContact CA-O 3.33Å; R56-V107 VanDerWaalsContact CD-O 3.22Å; R56-V107 WeakPolarHBondContact CD-O 3.34Å; M57-V107 HydrophobicContact CB-CG2 3.97Å; M57-V107 PolarHBondContact N-O 3.05Å; M57-V107 VanDerWaalsContact N-O 3.17Å; M57-V107 PolarHBondContact O-N 3.2Å; V107-Y121 HydrophobicContact CG2-CE1 4.48Å; V107-F122 HydrophobicContact CB-CD2 4.5Å; V107-F122 HydrophobicContact CG1-CD2 4.08Å; V107-F122 HydrophobicContact CG1-CE2 3.98Å; V107-F122 HydrophobicContact CG1-CZ 4.4Å; V107-F122 HydrophobicContact CG2-CD2 3.65Å; V107-F122 HydrophobicContact CG2-CE2 4.08Å; V107-F122 HydrophobicContact CG2-CG 4.45Å; V107-C125 HydrophobicContact CB-CB 3.83Å; V107-C125 HydrophobicContact CG1-CB 3.6Å; V107-C125 HydrophobicContact CG2-CB 4.29Å; V107-T128 HydrophobicContact CG1-CG2 4.41Å
108C95.1Very high93.6Very high36 Ų3647 Ų4724%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-72.4125.4168.1-170.20000109.9Y121C108-Y121 PolarHBondContact O-OH 3.44Å
109A95Very high94.1Very high0 Ų047 Ų470%027%0.272CS..  trans-107.921.918000000112.5P55 M57 Y76 A111 Y112 Y121P55-A109 HydrophobicContact CB-CB 4.36Å; P55-A109 HydrophobicContact CG-CB 4.43Å; P55-A109 WeakPolarHBondContact CG-O 3.32Å; P55-A109 PolarHBondContact O-N 2.79Å; M57-A109 HydrophobicContact CE-CB 4.17Å; M57-A109 HydrophobicContact CG-CB 4.05Å; Y76-A109 HydrophobicContact CD2-CB 4.23Å; Y76-A109 HydrophobicContact CE2-CB 3.79Å; A109-A111 PolarHBondContact O-N 2.94Å; A109-Y112 WeakPolarHBondContact O-CB 3.35Å; A109-Y112 PolarHBondContact O-N 3.28Å; A109-Y112 VanDerWaalsContact O-N 3.08Å; A109-Y121 HydrophobicContact CB-CE1 4.21Å
110A93.4Very high94.6Very high58 Ų5847.4 Ų47.448%0.47928%0.275SS..THydrogen-bonded Turntrans-65.2-24.1-175.900000113.7R54R54-A110 HydrophobicContact CB-CB 4.42Å; R54-A110 HydrophobicContact CG-CB 4.49Å
111A93.2Very high94.7Very high79 Ų7949.6 Ų49.665%0.65328%0.283SS*.THydrogen-bonded Turntrans-99.110.4176.100000112.7A109A109-A111 PolarHBondContact O-N 2.94Å
112Y94.4Very high94.9Very high50 Ų5047.5 Ų47.520%0.19628%0.275CS..  trans-96.9121.7177.3177.9-112.9000110.1M57 Y76 A109 G114 Q116 N118 Y121M57-Y112 HydrophobicContact CE-CD1 3.04Å; M57-Y112 HydrophobicContact CE-CD2 4.05Å; M57-Y112 HydrophobicContact CE-CE1 3.19Å; M57-Y112 HydrophobicContact CE-CE2 4.21Å; M57-Y112 HydrophobicContact CE-CG 3.48Å; M57-Y112 VanDerWaalsContact CE-CG 3.48Å; Y76-Y112 HydrophobicContact CD2-CD1 4.34Å; Y76-Y112 HydrophobicContact CE2-CD1 4.04Å; A109-Y112 WeakPolarHBondContact O-CB 3.35Å; A109-Y112 PolarHBondContact O-N 3.28Å; A109-Y112 VanDerWaalsContact O-N 3.08Å; Y112-G114 VanDerWaalsContact C-N 3.28Å; Y112-G114 WeakPolarHBondContact CD1-O 3.23Å; Y112-G114 WeakPolarHBondContact CE1-O 3.5Å; Y112-G114 PolarHBondContact O-N 2.92Å; Y112-Q116 VanDerWaalsContact CE1-O 3.22Å; Y112-Q116 WeakPolarHBondContact CE1-O 3.37Å; Y112-Q116 PolarHBondContact OH-O 2.84Å; Y112-N118 HydrophobicContact CE1-CB 4.36Å; Y112-N118 HydrophobicContact CE2-CB 3.67Å; Y112-N118 WeakPolarHBondContact OH-CB 3.34Å; Y112-N118 PolarHBondContact OH-ND2 2.75Å; Y112-Y121 HydrophobicContact CD2-CD1 4.5Å; Y112-Y121 AromaticContact CD2-CD2 3.81Å; Y112-Y121 HydrophobicContact CD2-CD2 3.81Å; Y112-Y121 HydrophobicContact CD2-CE2 4.36Å; Y112-Y121 AromaticContact CD2-CG 3.88Å; Y112-Y121 HydrophobicContact CD2-CG 3.88Å; Y112-Y121 HydrophobicContact CG-CD1 4.5Å; Y112-Y121 HydrophobicContact CG-CD2 4.33Å; Y112-Y121 HydrophobicContact CG-CG 4.31Å
113D92.8Very high94.8Very high173 Ų17354 Ų5493%0.92531%0.306SS*.  trans-77.5-10.7-176.2-64.3-35.1000114
114G93.8Very high94.7Very high25 Ų2560 Ų6026%0.25834%0.338SS..  trans-88.2177.2179.600000114.1Y112Y112-G114 VanDerWaalsContact C-N 3.28Å; Y112-G114 WeakPolarHBondContact CD1-O 3.23Å; Y112-G114 WeakPolarHBondContact CE1-O 3.5Å; Y112-G114 PolarHBondContact O-N 2.92Å
115N94Very high94.5Very high115 Ų11561.2 Ų61.262%0.61535%0.346SS*.SBendtrans-125.914.7-178.464.63.1000113.9Y76Y76-N115 WeakPolarHBondContact CD1-O 3.47Å
116Q96.2Very high94Very high139 Ų13970.7 Ų70.765%0.6539%0.386SS*.SBendtrans-133.9161.8-180-69.7178.41.100109.9Y112 N118Y112-Q116 VanDerWaalsContact CE1-O 3.22Å; Y112-Q116 WeakPolarHBondContact CE1-O 3.37Å; Y112-Q116 PolarHBondContact OH-O 2.84Å; Q116-N118 PolarHBondContact O-N 2.85Å
117F96.9Very high93.6Very high48 Ų4875.2 Ų75.221%0.21141%0.407CS..  trans-59133.9176.6-178.2-89.3000110.6M57 F58 R74 A119 F122M57-F117 HydrophobicContact CB-CD2 4.07Å; M57-F117 HydrophobicContact CB-CE2 4.24Å; M57-F117 HydrophobicContact CG-CD2 4.33Å; M57-F117 HydrophobicContact SD-CD2 4.32Å; F58-F117 WeakPolarHBondContact O-CD2 3.22Å; F58-F117 WeakPolarHBondContact O-CE2 3.47Å; R74-F117 HydrophobicContact CB-CD1 4.02Å; R74-F117 HydrophobicContact CB-CD2 3.98Å; R74-F117 HydrophobicContact CB-CE1 4.21Å; R74-F117 HydrophobicContact CB-CE2 4.17Å; R74-F117 HydrophobicContact CB-CG 3.9Å; R74-F117 HydrophobicContact CB-CZ 4.29Å; R74-F117 HydrophobicContact CG-CD1 4.33Å; R74-F117 HydrophobicContact CG-CD2 4.49Å; R74-F117 HydrophobicContact CG-CE1 4.02Å; R74-F117 HydrophobicContact CG-CE2 4.19Å; R74-F117 HydrophobicContact CG-CZ 3.95Å; F117-A119 HydrophobicContact CE1-CB 4.05Å; F117-F122 HydrophobicContact CE2-CB 4.19Å; F117-F122 AromaticContact CE2-CD2 3.69Å; F117-F122 HydrophobicContact CE2-CD2 3.69Å; F117-F122 HydrophobicContact CE2-CE2 4.24Å; F117-F122 AromaticContact CE2-CG 3.94Å; F117-F122 HydrophobicContact CE2-CG 3.94Å; F117-F122 HydrophobicContact CZ-CB 3.93Å; F117-F122 HydrophobicContact CZ-CD1 4.34Å; F117-F122 HydrophobicContact CZ-CD2 4.1Å; F117-F122 AromaticContact CZ-CG 3.86Å; F117-F122 HydrophobicContact CZ-CG 3.86Å
118N97.3Very high93.4Very high51 Ų5176.9 Ų76.927%0.27342%0.417SS..  trans-127.4112.4177.9-174.1-62000109.5M57 Y112 Q116 T120 Y121 F122M57-N118 HydrophobicContact CE-CB 4.06Å; M57-N118 HydrophobicContact SD-CB 4.35Å; M57-N118 PolarHBondContact SD-N 2.85Å; Y112-N118 HydrophobicContact CE1-CB 4.36Å; Y112-N118 HydrophobicContact CE2-CB 3.67Å; Y112-N118 WeakPolarHBondContact OH-CB 3.34Å; Y112-N118 PolarHBondContact OH-ND2 2.75Å; Q116-N118 PolarHBondContact O-N 2.85Å; N118-T120 PolarHBondContact O-N 3.38Å; N118-T120 WeakPolarHBondContact OD1-CB 3.33Å; N118-T120 PolarHBondContact OD1-N 2.79Å; N118-T120 VanDerWaalsContact OD1-N 3.15Å; N118-Y121 PolarHBondContact O-N 2.76Å; N118-Y121 PolarHBondContact OD1-N 3.48Å; N118-F122 VanDerWaalsContact O-CB 3.29Å; N118-F122 WeakPolarHBondContact O-CB 3.49Å; N118-F122 PolarHBondContact O-N 2.76Å
119A95.8Very high93.2Very high32 Ų3279.3 Ų79.326%0.26442%0.421SS..Hα-helixtrans-62.2-43.8-176.700000111.8F117 Y121 F122 E123F117-A119 HydrophobicContact CE1-CB 4.05Å; A119-Y121 PolarHBondContact O-N 2.81Å; A119-F122 PolarHBondContact O-N 2.87Å; A119-E123 WeakPolarHBondContact O-CB 3.25Å; A119-E123 VanDerWaalsContact O-CG 3.25Å; A119-E123 WeakPolarHBondContact O-CG 3.34Å; A119-E123 PolarHBondContact O-N 2.91Å
120T95.7Very high93Very high92 Ų9282.5 Ų82.556%0.56443%0.433SS*.Hα-helixtrans-61.4-45.7179.2-51.70000111.8N118 N124N118-T120 PolarHBondContact O-N 3.38Å; N118-T120 WeakPolarHBondContact OD1-CB 3.33Å; N118-T120 PolarHBondContact OD1-N 2.79Å; N118-T120 VanDerWaalsContact OD1-N 3.15Å; T120-N124 WeakPolarHBondContact CG2-ND2 3.48Å; T120-N124 WeakPolarHBondContact O-CB 3.3Å; T120-N124 PolarHBondContact O-N 2.82Å; T120-N124 VanDerWaalsContact O-N 3.12Å; T120-N124 PolarHBondContact O-ND2 3.06Å
121Y95.4Very high92.8Very high55 Ų5581.3 Ų81.322%0.21642%0.419CS..Hα-helixtrans-61.8-48.3175.7-175.9-90.4000110.7M57 V107 C108 A109 Y112 N118 A119 E123 N124 C125M57-Y121 HydrophobicContact CE-CD1 4.1Å; M57-Y121 HydrophobicContact SD-CD1 4.14Å; V107-Y121 HydrophobicContact CG2-CE1 4.48Å; C108-Y121 PolarHBondContact O-OH 3.44Å; A109-Y121 HydrophobicContact CB-CE1 4.21Å; Y112-Y121 HydrophobicContact CD2-CD1 4.5Å; Y112-Y121 AromaticContact CD2-CD2 3.81Å; Y112-Y121 HydrophobicContact CD2-CD2 3.81Å; Y112-Y121 HydrophobicContact CD2-CE2 4.36Å; Y112-Y121 AromaticContact CD2-CG 3.88Å; Y112-Y121 HydrophobicContact CD2-CG 3.88Å; Y112-Y121 HydrophobicContact CG-CD1 4.5Å; Y112-Y121 HydrophobicContact CG-CD2 4.33Å; Y112-Y121 HydrophobicContact CG-CG 4.31Å; N118-Y121 PolarHBondContact O-N 2.76Å; N118-Y121 PolarHBondContact OD1-N 3.48Å; A119-Y121 PolarHBondContact O-N 2.81Å; Y121-E123 PolarHBondContact O-N 2.68Å; Y121-N124 PolarHBondContact O-N 3.12Å; Y121-C125 WeakPolarHBondContact CE1-SG 3.29Å; Y121-C125 PolarHBondContact O-N 3Å; Y121-C125 PolarHBondContact O-SG 2.76Å
122F95.9Very high92.8Very high23 Ų2378.8 Ų78.810%0.10140%0.397CS..Hα-helixtrans-58.2-45.4-179.2-172.8-87000112.5M57 S105 V107 F117 N118 A119M57-F122 HydrophobicContact CB-CD2 3.85Å; M57-F122 HydrophobicContact CB-CE2 4.41Å; S105-F122 WeakPolarHBondContact O-CZ 3.24Å; V107-F122 HydrophobicContact CB-CD2 4.5Å; V107-F122 HydrophobicContact CG1-CD2 4.08Å; V107-F122 HydrophobicContact CG1-CE2 3.98Å; V107-F122 HydrophobicContact CG1-CZ 4.4Å; V107-F122 HydrophobicContact CG2-CD2 3.65Å; V107-F122 HydrophobicContact CG2-CE2 4.08Å; V107-F122 HydrophobicContact CG2-CG 4.45Å; F117-F122 HydrophobicContact CE2-CB 4.19Å; F117-F122 AromaticContact CE2-CD2 3.69Å; F117-F122 HydrophobicContact CE2-CD2 3.69Å; F117-F122 HydrophobicContact CE2-CE2 4.24Å; F117-F122 AromaticContact CE2-CG 3.94Å; F117-F122 HydrophobicContact CE2-CG 3.94Å; F117-F122 HydrophobicContact CZ-CB 3.93Å; F117-F122 HydrophobicContact CZ-CD1 4.34Å; F117-F122 HydrophobicContact CZ-CD2 4.1Å; F117-F122 AromaticContact CZ-CG 3.86Å; F117-F122 HydrophobicContact CZ-CG 3.86Å; N118-F122 VanDerWaalsContact O-CB 3.29Å; N118-F122 WeakPolarHBondContact O-CB 3.49Å; N118-F122 PolarHBondContact O-N 2.76Å; A119-F122 PolarHBondContact O-N 2.87Å
123E93Very high92.7Very high136 Ų13676.4 Ų76.464%0.63639%0.388SS*.Hα-helixtrans-72.4-27.6-178.5-71.2166.9-174.200112.9A119 Y121A119-E123 WeakPolarHBondContact O-CB 3.25Å; A119-E123 VanDerWaalsContact O-CG 3.25Å; A119-E123 WeakPolarHBondContact O-CG 3.34Å; A119-E123 PolarHBondContact O-N 2.91Å; Y121-E123 PolarHBondContact O-N 2.68Å
124N93.2Very high92.8Very high126 Ų12670 Ų7067%0.67436%0.356SS*.Hα-helixtrans-93.8-2.9178.6-69.9-61.9000113.7T120 Y121 F126T120-N124 WeakPolarHBondContact CG2-ND2 3.48Å; T120-N124 WeakPolarHBondContact O-CB 3.3Å; T120-N124 PolarHBondContact O-N 2.82Å; T120-N124 VanDerWaalsContact O-N 3.12Å; T120-N124 PolarHBondContact O-ND2 3.06Å; Y121-N124 PolarHBondContact O-N 3.12Å; N124-F126 PolarHBondContact O-N 2.78Å
125C89.6Confident92.8Very high25 Ų2568.9 Ų68.917%0.16934%0.343CS..  trans-65.9123.8174.5-85.70000110.7V107 Y121 E127V107-C125 HydrophobicContact CB-CB 3.83Å; V107-C125 HydrophobicContact CG1-CB 3.6Å; V107-C125 HydrophobicContact CG2-CB 4.29Å; Y121-C125 WeakPolarHBondContact CE1-SG 3.29Å; Y121-C125 PolarHBondContact O-N 3Å; Y121-C125 PolarHBondContact O-SG 2.76Å; C125-E127 VanDerWaalsContact C-N 3.28Å; C125-E127 PolarHBondContact O-N 3.26Å
126F82.3Confident92.7Very high214 Ų21466.8 Ų66.894%0.93933%0.33SS*.SBendtrans-61.3-36.3179.1-176.5-100.5000113.1N124N124-F126 PolarHBondContact O-N 2.78Å
127E88.3Confident92.5Very high102 Ų10260.7 Ų60.748%0.47730%0.301SS..  trans-111.6104.4-176.3-171169.8-146.400111C125 R129C125-E127 VanDerWaalsContact C-N 3.28Å; C125-E127 PolarHBondContact O-N 3.26Å; E127-R129 IonicContact OE1-CZ 3.19Å; E127-R129 IonicContact OE1-NE 3.48Å; E127-R129 IonicContact OE1-NH1 3.66Å; E127-R129 PolarHBondContact OE1-NH1 2.72Å; E127-R129 IonicContact OE1-NH2 2.83Å; E127-R129 PolarHBondContact OE1-NH2 2.78Å
128T89.9Confident92.3Very high36 Ų3663.2 Ų63.222%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-107.5126.9171.4-61.40000109.8V107 R130V107-T128 HydrophobicContact CG1-CG2 4.41Å; T128-R130 HydrophobicContact CG2-CG 4.45Å
129R91Very high91.6Very high86 Ų8668 Ų6833%0.32534%0.343SS..EExtended strand (participates in β ladder)trans-105.6156.5173.7-66.3-62.4-166.8-136-2.3109.9S105 H106 E127S105-R129 CarbonylContact C-O 3.56Å; S105-R129 WeakPolarHBondContact CA-O 3.42Å; H106-R129 PolarHBondContact CD2-O 2.8Å; H106-R129 WeakPolarHBondContact CE1-CB 3.28Å; H106-R129 PolarHBondContact N-O 2.83Å; H106-R129 WeakPolarHBondContact NE2-CB 3.42Å; H106-R129 PolarHBondContact O-N 2.85Å; E127-R129 IonicContact OE1-CZ 3.19Å; E127-R129 IonicContact OE1-NE 3.48Å; E127-R129 IonicContact OE1-NH1 3.66Å; E127-R129 PolarHBondContact OE1-NH1 2.72Å; E127-R129 IonicContact OE1-NH2 2.83Å; E127-R129 PolarHBondContact OE1-NH2 2.78Å
130R90.7Very high91.4Very high67 Ų6769.8 Ų69.825%0.25335%0.346SS..EExtended strand (participates in β ladder)trans-138.1145.6-173.1-58.4-170.5176.591.9-3.1112.6M13 Y18 V103 I104 S105 T128M13-R130 HydrophobicContact SD-CB 4.04Å; Y18-R130 WeakPolarHBondContact CE1-O 3.46Å; V103-R130 HydrophobicContact CG1-CB 4.48Å; I104-R130 CarbonylContact O-C 3.5Å; I104-R130 VanDerWaalsContact O-CA 3.31Å; I104-R130 WeakPolarHBondContact O-CA 3.38Å; S105-R130 PolarHBondContact OG-NE 2.88Å; T128-R130 HydrophobicContact CG2-CG 4.45Å
131I90.4Very high91.2Very high34 Ų3468.6 Ų68.617%0.17434%0.335CS..EExtended strand (participates in β ladder)trans-126133.4170.7-58.3173.3000106.8L24 T26 V103 I104 L133L24-I131 HydrophobicContact CB-CD1 3.84Å; T26-I131 HydrophobicContact CG2-CD1 4.2Å; T26-I131 HydrophobicContact CG2-CG2 4.2Å; V103-I131 CarbonylContact C-O 3.51Å; V103-I131 WeakPolarHBondContact CA-O 3.33Å; I104-I131 HydrophobicContact CB-CB 4.45Å; I104-I131 PolarHBondContact N-O 2.76Å; I104-I131 PolarHBondContact O-N 3.44Å; I131-L133 HydrophobicContact CG2-CD1 4.08Å
132A92.1Very high90.9Very high25 Ų2569.3 Ų69.321%0.20734%0.342CS..EExtended strand (participates in β ladder)trans-115127.8176.300000109.2L10 M13 V103L10-A132 HydrophobicContact CD2-CB 3.54Å; M13-A132 HydrophobicContact CE-CB 3.9Å; M13-A132 HydrophobicContact SD-CB 3.79Å; V103-A132 HydrophobicContact CG2-CB 4.3Å
133L93.3Very high90.6Very high0 Ų072.1 Ų72.10%036%0.356CS..EExtended strand (participates in β ladder)trans-103.8130.2169.3-70.882000108.5T26 P28 R30 I46 Y101 I102 I104 I131T26-L133 HydrophobicContact CG2-CD1 4.2Å; P28-L133 HydrophobicContact CG-CD2 4.14Å; P28-L133 WeakPolarHBondContact O-CD2 3.36Å; R30-L133 CarbonylContact O-C 3.49Å; R30-L133 VanDerWaalsContact O-CA 3.25Å; R30-L133 WeakPolarHBondContact O-CA 3.44Å; I46-L133 HydrophobicContact CD1-CD2 3.94Å; I46-L133 HydrophobicContact CG1-CD2 4.13Å; I46-L133 HydrophobicContact CG2-CD2 4.07Å; Y101-L133 CarbonylContact C-O 3.48Å; Y101-L133 VanDerWaalsContact CA-O 3.27Å; Y101-L133 WeakPolarHBondContact CA-O 3.14Å; I102-L133 PolarHBondContact N-O 2.89Å; I102-L133 PolarHBondContact O-N 3.41Å; I104-L133 HydrophobicContact CD1-CD1 3.7Å; I104-L133 HydrophobicContact CG1-CD1 4.49Å; I131-L133 HydrophobicContact CG2-CD1 4.08Å
134V93.5Very high90.5Very high40 Ų4068.1 Ų68.124%0.24234%0.338CS..EExtended strand (participates in β ladder)trans-73136.5168.9-176.30000108.6R30 T31 L32 T99 E100 Y101 E136R30-V134 PolarHBondContact O-N 3.49Å; T31-V134 CarbonylContact C-O 3.58Å; T31-V134 VanDerWaalsContact CA-O 3.24Å; T31-V134 WeakPolarHBondContact CA-O 3.31Å; T31-V134 HydrophobicContact CG2-CB 4.37Å; L32-V134 PolarHBondContact N-O 2.87Å; T99-V134 HydrophobicContact CG2-CG1 4.07Å; E100-V134 CarbonylContact O-C 3.49Å; Y101-V134 HydrophobicContact CD1-CG2 4.26Å; Y101-V134 HydrophobicContact CE1-CG2 3.88Å; V134-E136 HydrophobicContact CG1-CG 4.13Å
135V93.8Very high90.3Very high0 Ų064.2 Ų64.20%032%0.316CS..EExtended strand (participates in β ladder)trans-103.6120.3170.9-1760000108.1L32 F34 L68 E100 I102 F137L32-V135 WeakPolarHBondContact O-CA 3.23Å; F34-V135 HydrophobicContact CD2-CG1 3.86Å; F34-V135 HydrophobicContact CE2-CG1 3.98Å; L68-V135 HydrophobicContact CD1-CG1 4.24Å; L68-V135 HydrophobicContact CD1-CG2 4.09Å; E100-V135 HydrophobicContact CB-CB 4.07Å; E100-V135 PolarHBondContact O-N 3.5Å; I102-V135 HydrophobicContact CD1-CG2 3.9Å; I102-V135 HydrophobicContact CG1-CG2 3.87Å; V135-F137 HydrophobicContact CG1-CE1 4.04Å; V135-F137 HydrophobicContact CG1-CE2 4.31Å; V135-F137 HydrophobicContact CG1-CZ 3.73Å
136E92.6Very high90.4Very high71 Ų7167 Ų6733%0.33233%0.326SS..EExtended strand (participates in β ladder)trans-114.2143178.8-74.4-178.1-168.100111.1T31 L32 V33 F34 V134 K138T31-E136 HydrophobicContact CG2-CB 4.08Å; T31-E136 HydrophobicContact CG2-CG 3.67Å; L32-E136 PolarHBondContact O-N 3.47Å; V33-E136 WeakPolarHBondContact CA-O 3.25Å; V33-E136 HydrophobicContact CG2-CB 4.33Å; F34-E136 PolarHBondContact N-O 2.82Å; V134-E136 HydrophobicContact CG1-CG 4.13Å; E136-K138 VanDerWaalsContact OE2-CE 3.23Å; E136-K138 WeakPolarHBondContact OE2-CE 3.23Å; E136-K138 IonicContact OE2-NZ 3.41Å; E136-K138 PolarHBondContact OE2-NZ 2.89Å
137F92.5Very high91Very high12 Ų1255.7 Ų55.75%0.05328%0.279CS..EExtended strand (participates in β ladder)trans-113.6123.7175.5-53.3-75.3000109.6F34 F38 M67 L89 A94 H95 I96 E100 V135F34-F137 HydrophobicContact CB-CD1 4Å; F34-F137 HydrophobicContact CB-CE1 4.38Å; F34-F137 HydrophobicContact CD2-CD1 4.45Å; F34-F137 HydrophobicContact CD2-CE1 4.04Å; F34-F137 WeakPolarHBondContact O-CA 3.31Å; F38-F137 HydrophobicContact CE1-CD1 4.41Å; F38-F137 HydrophobicContact CE2-CB 4.23Å; F38-F137 HydrophobicContact CZ-CB 3.87Å; F38-F137 HydrophobicContact CZ-CD1 4.42Å; M67-F137 HydrophobicContact SD-CE1 4.35Å; M67-F137 HydrophobicContact SD-CE2 3.98Å; M67-F137 HydrophobicContact SD-CZ 3.47Å; M67-F137 WeakPolarHBondContact SD-CZ 3.28Å; L89-F137 HydrophobicContact CD1-CE1 3.84Å; L89-F137 HydrophobicContact CD1-CZ 4.47Å; L89-F137 HydrophobicContact CD2-CD1 4.01Å; L89-F137 HydrophobicContact CD2-CE1 3.82Å; L89-F137 HydrophobicContact CG-CE1 4.44Å; A94-F137 HydrophobicContact CB-CD1 3.86Å; A94-F137 HydrophobicContact CB-CE1 4.28Å; A94-F137 HydrophobicContact CB-CG 4.23Å; H95-F137 WeakPolarHBondContact O-CD2 3.12Å; I96-F137 HydrophobicContact CG1-CB 4.42Å; E100-F137 HydrophobicContact CG-CE2 4.25Å; V135-F137 HydrophobicContact CG1-CE1 4.04Å; V135-F137 HydrophobicContact CG1-CE2 4.31Å; V135-F137 HydrophobicContact CG1-CZ 3.73Å
138K91.3Very high91.2Very high101 Ų10151.8 Ų51.844%0.43926%0.263SS..EExtended strand (participates in β ladder)trans-121146.6178.6-63.2-173.3-175.5175.10110.8V33 F34 S35 G36 F38 E136V33-K138 HydrophobicContact CG1-CB 4.44Å; V33-K138 HydrophobicContact CG1-CD 3.76Å; V33-K138 HydrophobicContact CG1-CG 3.95Å; F34-K138 PolarHBondContact O-N 3.41Å; S35-K138 CarbonylContact C-O 3.51Å; S35-K138 WeakPolarHBondContact CA-O 3.38Å; G36-K138 PolarHBondContact N-O 2.7Å; F38-K138 WeakPolarHBondContact CZ-O 3.47Å; E136-K138 VanDerWaalsContact OE2-CE 3.23Å; E136-K138 WeakPolarHBondContact OE2-CE 3.23Å; E136-K138 IonicContact OE2-NZ 3.41Å; E136-K138 PolarHBondContact OE2-NZ 2.89Å
139V83.5Confident91.3Very high150 Ų15053.3 Ų53.391%0.90927%0.267SS*.  trans-69.90174.8-175.90000110G36 I96G36-V139 PolarHBondContact N-OXT 2.79Å; I96-V139 HydrophobicContact CD1-CG2 3.44Å; I96-V139 VanDerWaalsContact CD1-CG2 3.44Å

Retrieved 139 of 139 residues in 79.7 ms (Link to these results)

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