A0A3Q0KBU4_SCHMA Loading...

Zinc finger protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KBU4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M55.7Low79.4Confident225 Ų225106 Ų106100%1.10854%0.541SS*.  0120.90-75.5-161.4172.600108.6
2T76.8Confident79.9Confident127 Ų12799.8 Ų99.878%0.77951%0.514SS*.PPolyproline II helixtrans-75.1122.6179.237.30000110.5
3L83.2Confident80.2Confident92 Ų9294.5 Ų94.548%0.48249%0.485SS..PPolyproline II helixtrans-80.5134170.5-75.2165000108.7C12 K14L3-C12 HydrophobicContact CB-CB 4.34Å; L3-C12 HydrophobicContact CD2-CB 4.41Å; L3-K14 HydrophobicContact CD2-CG 3.68Å
4I82.2Confident80.7Confident64 Ų6496.8 Ų96.833%0.32849%0.489SS..EExtended strand (participates in β ladder)trans-103.9119.5178.7-42.7173.6000108F13 P16 L19I4-F13 PolarHBondContact N-O 3.35Å; I4-F13 PolarHBondContact O-N 3.36Å; I4-P16 HydrophobicContact CD1-CB 3.8Å; I4-P16 HydrophobicContact CD1-CG 4.28Å; I4-L19 HydrophobicContact CB-CD2 4.03Å; I4-L19 HydrophobicContact CG2-CD2 3.36Å
5R85.7Confident81Confident166 Ų16698.4 Ų98.463%0.62649%0.492SS*.EExtended strand (participates in β ladder)trans-85.1144.7-177.4-170.8-175.9-72.3180-2.3111.1
6C84.5Confident81.4Confident6 Ų697.7 Ų97.74%0.04150%0.496CS..PPolyproline II helixtrans-71143.2168.4-178.70000111.6F8 C9 M11 F13 L19 H22C6-F8 VanDerWaalsContact C-N 3.33Å; C6-F8 PolarHBondContact SG-N 3.08Å; C6-C9 CarbonylContact C-O 3.59Å; C6-C9 WeakPolarHBondContact CB-O 3.42Å; C6-M11 PolarHBondContact N-O 3.33Å; C6-F13 HydrophobicContact CB-CE2 4.42Å; C6-L19 HydrophobicContact CB-CD1 3.79Å; C6-H22 WeakPolarHBondContact CB-NE2 3.28Å; C6-H22 PolarHBondContact SG-CD2 3.26Å; C6-H22 PolarHBondContact SG-NE2 3.45Å
7T86.1Confident81.7Confident119 Ų11996.4 Ų96.473%0.7350%0.498SS*.SBendtrans-80.1-14.3178.153.70000113.5
8F80.1Confident82Confident135 Ų13598.3 Ų98.359%0.59250%0.498SS*.SBendtrans-110.3-10.6-176.8-60.9-76.2000113.6C6 L23 H26C6-F8 VanDerWaalsContact C-N 3.33Å; C6-F8 PolarHBondContact SG-N 3.08Å; F8-L23 HydrophobicContact CD2-CD2 3.79Å; F8-L23 HydrophobicContact CE2-CD2 4.04Å; F8-H26 HydrophobicContact CB-CB 4.36Å; F8-H26 VanDerWaalsContact CB-CE1 3.45Å; F8-H26 WeakPolarHBondContact CB-CE1 3.3Å; F8-H26 WeakPolarHBondContact CB-ND1 3.47Å; F8-H26 HydrophobicContact CD2-CB 3.87Å; F8-H26 AromaticContact CD2-CG 3.89Å; F8-H26 HydrophobicContact CE2-CB 4.38Å; F8-H26 HydrophobicContact CG-CB 4.14Å; F8-H26 AromaticContact CG-CG 3.92Å
9C79.6Confident82.2Confident36 Ų3694.3 Ų94.324%0.24348%0.478CS..SBendtrans-157.7168.5174.8680000111.3C6 M11 H22 H26C6-C9 CarbonylContact C-O 3.59Å; C6-C9 WeakPolarHBondContact CB-O 3.42Å; C9-M11 PolarHBondContact O-N 3Å; C9-M11 VanDerWaalsContact SG-CG 3.57Å; C9-H22 PolarHBondContact SG-CE1 3.33Å; C9-H22 PolarHBondContact SG-NE2 3.17Å; C9-H26 PolarHBondContact SG-NE2 3.17Å
10D80.9Confident82.4Confident135 Ų13594.8 Ų94.872%0.72248%0.478SS*.SBendtrans-79.315.6-174.1-54.1-53.3000114.3
11M78.7Confident82.5Confident61 Ų6190.6 Ų90.630%0.346%0.458SS..  trans-76.9128.5-179.4-66-67.7-116.700111.2C6 C9 F13 V337C6-M11 PolarHBondContact N-O 3.33Å; C9-M11 PolarHBondContact O-N 3Å; C9-M11 VanDerWaalsContact SG-CG 3.57Å; M11-F13 HydrophobicContact CB-CE2 3.68Å; M11-F13 HydrophobicContact CB-CZ 3.84Å; M11-V337 HydrophobicContact CE-CG2 4.2Å
12C84.9Confident84Confident32 Ų3280.4 Ų80.422%0.21641%0.408CS..EExtended strand (participates in β ladder)trans-106.6138.7178.6-68.10000111.3L3L3-C12 HydrophobicContact CB-CB 4.34Å; L3-C12 HydrophobicContact CD2-CB 4.41Å
13F84.2Confident84.4Confident31 Ų3176.7 Ų76.714%0.13638%0.383CS..EExtended strand (participates in β ladder)trans-124.9136.9-177.8-60.6-87.5000111.4I4 C6 M11 K15 R18 L19 H22I4-F13 PolarHBondContact N-O 3.35Å; I4-F13 PolarHBondContact O-N 3.36Å; C6-F13 HydrophobicContact CB-CE2 4.42Å; M11-F13 HydrophobicContact CB-CE2 3.68Å; M11-F13 HydrophobicContact CB-CZ 3.84Å; F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 3.45Å; F13-R18 HydrophobicContact CB-CB 4.32Å; F13-R18 HydrophobicContact CD1-CB 3.85Å; F13-R18 HydrophobicContact CG-CB 4.4Å; F13-L19 HydrophobicContact CB-CB 4.09Å; F13-L19 HydrophobicContact CD2-CB 3.94Å; F13-L19 HydrophobicContact CD2-CD1 3.66Å; F13-L19 HydrophobicContact CD2-CG 4.4Å; F13-L19 HydrophobicContact CE2-CD1 3.95Å; F13-L19 HydrophobicContact CG-CB 4.13Å; F13-H22 HydrophobicContact CE1-CB 3.85Å; F13-H22 HydrophobicContact CE2-CB 3.81Å; F13-H22 AromaticContact CE2-CD2 3.42Å; F13-H22 VanDerWaalsContact CE2-CD2 3.42Å; F13-H22 WeakPolarHBondContact CE2-CD2 3.43Å; F13-H22 AromaticContact CE2-CG 3.48Å; F13-H22 VanDerWaalsContact CE2-CG 3.48Å; F13-H22 AromaticContact CE2-NE2 3.95Å; F13-H22 HydrophobicContact CZ-CB 3.36Å; F13-H22 AromaticContact CZ-CD2 3.65Å; F13-H22 AromaticContact CZ-CG 3.18Å; F13-H22 AromaticContact CZ-ND1 3.47Å; F13-H22 WeakPolarHBondContact CZ-ND1 3.13Å
14K86.9Confident84.5Confident126 Ų12673.7 Ų73.755%0.54837%0.365SS..SBendtrans-74.5-16175.6-65.6-175.6179.2-176.60114.1L3L3-K14 HydrophobicContact CD2-CG 3.68Å
15K85.4Confident84.4Confident121 Ų12173.5 Ų73.553%0.52636%0.364SS..SBendtrans-134.3134.4-176.4-65.5-170.4178.2-169.90110F13 S17 R18 L19F13-K15 VanDerWaalsContact C-N 3.29Å; F13-K15 PolarHBondContact O-N 3.45Å; K15-S17 VanDerWaalsContact C-N 3.29Å; K15-S17 PolarHBondContact O-N 2.93Å; K15-R18 HydrophobicContact CB-CB 4.46Å; K15-R18 HydrophobicContact CB-CG 4.25Å; K15-R18 WeakPolarHBondContact O-CB 3.42Å; K15-R18 PolarHBondContact O-N 3.25Å; K15-L19 PolarHBondContact O-N 3.07Å
16P87.9Confident84.3Confident87 Ų8769.2 Ų69.257%0.56535%0.351SS*.Hα-helixtrans-60.1-37.4179.221.3-31.2000112.3I4 R18 L19 E20I4-P16 HydrophobicContact CD1-CB 3.8Å; I4-P16 HydrophobicContact CD1-CG 4.28Å; P16-R18 PolarHBondContact O-N 3.05Å; P16-L19 WeakPolarHBondContact O-CB 3.26Å; P16-L19 PolarHBondContact O-N 3.16Å; P16-E20 PolarHBondContact O-N 3.06Å
17S86.8Confident84.2Confident75 Ų7573.2 Ų73.252%0.52438%0.375SS..Hα-helixtrans-61.8-28.3175.357.50000114K15 A21K15-S17 VanDerWaalsContact C-N 3.29Å; K15-S17 PolarHBondContact O-N 2.93Å; S17-A21 WeakPolarHBondContact O-CB 3.43Å; S17-A21 PolarHBondContact O-N 3.12Å
18R85.9Confident83.9Confident132 Ų13270 Ų7050%0.49837%0.367SS..Hα-helixtrans-76.7-38.1173.4-70.8-170.1179.4173.70.7111.6F13 K15 P16 H22F13-R18 HydrophobicContact CB-CB 4.32Å; F13-R18 HydrophobicContact CD1-CB 3.85Å; F13-R18 HydrophobicContact CG-CB 4.4Å; K15-R18 HydrophobicContact CB-CB 4.46Å; K15-R18 HydrophobicContact CB-CG 4.25Å; K15-R18 WeakPolarHBondContact O-CB 3.42Å; K15-R18 PolarHBondContact O-N 3.25Å; P16-R18 PolarHBondContact O-N 3.05Å; R18-H22 WeakPolarHBondContact O-CB 3.48Å; R18-H22 PolarHBondContact O-N 2.96Å
19L86.3Confident84.1Confident21 Ų2168.6 Ų68.611%0.1136%0.362CS..Hα-helixtrans-63-48.1173.2173.362000110.6I4 C6 F13 K15 P16 A21 H22 L23I4-L19 HydrophobicContact CB-CD2 4.03Å; I4-L19 HydrophobicContact CG2-CD2 3.36Å; C6-L19 HydrophobicContact CB-CD1 3.79Å; F13-L19 HydrophobicContact CB-CB 4.09Å; F13-L19 HydrophobicContact CD2-CB 3.94Å; F13-L19 HydrophobicContact CD2-CD1 3.66Å; F13-L19 HydrophobicContact CD2-CG 4.4Å; F13-L19 HydrophobicContact CE2-CD1 3.95Å; F13-L19 HydrophobicContact CG-CB 4.13Å; K15-L19 PolarHBondContact O-N 3.07Å; P16-L19 WeakPolarHBondContact O-CB 3.26Å; P16-L19 PolarHBondContact O-N 3.16Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.38Å; L19-H22 CarbonylContact O-C 3.59Å; L19-H22 WeakPolarHBondContact O-CA 3.13Å; L19-H22 VanDerWaalsContact O-CB 3.3Å; L19-H22 WeakPolarHBondContact O-CB 3.45Å; L19-H22 PolarHBondContact O-N 3.43Å; L19-L23 HydrophobicContact CD1-CD2 4.4Å; L19-L23 HydrophobicContact CD1-CG 4.14Å; L19-L23 HydrophobicContact CG-CD1 4.26Å; L19-L23 HydrophobicContact CG-CG 4.32Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 3.42Å
20E86.9Confident84.4Confident104 Ų10472.1 Ų72.149%0.48637%0.37SS..Hα-helixtrans-58-46.8178.4-166.8-157.8146.300111.4P16 H22 L23 R24P16-E20 PolarHBondContact O-N 3.06Å; E20-H22 PolarHBondContact O-N 3.13Å; E20-L23 PolarHBondContact O-N 3.34Å; E20-L23 VanDerWaalsContact O-N 3.17Å; E20-R24 PolarHBondContact O-N 3.49Å; E20-R24 IonicContact OE1-CZ 3.8Å; E20-R24 IonicContact OE1-NH2 2.73Å; E20-R24 PolarHBondContact OE1-NH2 2.77Å
21A84.6Confident84.7Confident7 Ų768.6 Ų68.66%0.05835%0.354CS..Hα-helixtrans-65.6-24.6175.300000113.4S17 L19 R42S17-A21 WeakPolarHBondContact O-CB 3.43Å; S17-A21 PolarHBondContact O-N 3.12Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.38Å; A21-R42 HydrophobicContact CB-CG 3.94Å
22H85.7Confident85.1Confident12 Ų1268.9 Ų68.96%0.05635%0.352CS..Hα-helixtrans-77.4-40171.8163.382.5000111.7C6 C9 F13 R18 L19 E20 R24 I25 H26C6-H22 WeakPolarHBondContact CB-NE2 3.28Å; C6-H22 PolarHBondContact SG-CD2 3.26Å; C6-H22 PolarHBondContact SG-NE2 3.45Å; C9-H22 PolarHBondContact SG-CE1 3.33Å; C9-H22 PolarHBondContact SG-NE2 3.17Å; F13-H22 HydrophobicContact CE1-CB 3.85Å; F13-H22 HydrophobicContact CE2-CB 3.81Å; F13-H22 AromaticContact CE2-CD2 3.42Å; F13-H22 VanDerWaalsContact CE2-CD2 3.42Å; F13-H22 WeakPolarHBondContact CE2-CD2 3.43Å; F13-H22 AromaticContact CE2-CG 3.48Å; F13-H22 VanDerWaalsContact CE2-CG 3.48Å; F13-H22 AromaticContact CE2-NE2 3.95Å; F13-H22 HydrophobicContact CZ-CB 3.36Å; F13-H22 AromaticContact CZ-CD2 3.65Å; F13-H22 AromaticContact CZ-CG 3.18Å; F13-H22 AromaticContact CZ-ND1 3.47Å; F13-H22 WeakPolarHBondContact CZ-ND1 3.13Å; R18-H22 WeakPolarHBondContact O-CB 3.48Å; R18-H22 PolarHBondContact O-N 2.96Å; L19-H22 CarbonylContact O-C 3.59Å; L19-H22 WeakPolarHBondContact O-CA 3.13Å; L19-H22 VanDerWaalsContact O-CB 3.3Å; L19-H22 WeakPolarHBondContact O-CB 3.45Å; L19-H22 PolarHBondContact O-N 3.43Å; E20-H22 PolarHBondContact O-N 3.13Å; H22-R24 PolarHBondContact O-N 2.9Å; H22-I25 HydrophobicContact CB-CD1 4.5Å; H22-I25 WeakPolarHBondContact O-CB 3.49Å; H22-I25 VanDerWaalsContact O-CG1 3.28Å; H22-I25 WeakPolarHBondContact O-CG1 3.49Å; H22-I25 PolarHBondContact O-N 3.45Å; H22-H26 AromaticContact CE1-NE2 3.59Å; H22-H26 AromaticContact NE2-CD2 3.68Å; H22-H26 AromaticContact NE2-NE2 3.26Å; H22-H26 PolarHBondContact NE2-NE2 2.65Å
23L85.2Confident85.2Confident48 Ų4871.5 Ų71.525%0.25137%0.367SS..Hα-helixtrans-58-32.1174.9-69.5174.2000111.8F8 L19 E20 I25 H26 T27F8-L23 HydrophobicContact CD2-CD2 3.79Å; F8-L23 HydrophobicContact CE2-CD2 4.04Å; L19-L23 HydrophobicContact CD1-CD2 4.4Å; L19-L23 HydrophobicContact CD1-CG 4.14Å; L19-L23 HydrophobicContact CG-CD1 4.26Å; L19-L23 HydrophobicContact CG-CG 4.32Å; L19-L23 WeakPolarHBondContact O-CG 3.25Å; L19-L23 PolarHBondContact O-N 3.42Å; E20-L23 PolarHBondContact O-N 3.34Å; E20-L23 VanDerWaalsContact O-N 3.17Å; L23-I25 PolarHBondContact O-N 3.16Å; L23-I25 VanDerWaalsContact O-N 3.07Å; L23-H26 WeakPolarHBondContact O-CA 3.44Å; L23-H26 WeakPolarHBondContact O-CB 3.44Å; L23-H26 PolarHBondContact O-N 2.77Å; L23-T27 PolarHBondContact O-N 3.42Å
24R85.7Confident85.3Confident30 Ų3070.2 Ų70.211%0.11336%0.362CS..Hα-helixtrans-57.6-20.7172-66.8-177.5-162.11398.8114.6E20 H22 T27 G28 E29 T41E20-R24 PolarHBondContact O-N 3.49Å; E20-R24 IonicContact OE1-CZ 3.8Å; E20-R24 IonicContact OE1-NH2 2.73Å; E20-R24 PolarHBondContact OE1-NH2 2.77Å; H22-R24 PolarHBondContact O-N 2.9Å; R24-T27 WeakPolarHBondContact CA-OG1 3.36Å; R24-G28 CarbonylContact O-C 3.54Å; R24-G28 WeakPolarHBondContact O-CA 3.11Å; R24-G28 PolarHBondContact O-N 2.93Å; R24-E29 HydrophobicContact CG-CB 4.41Å; R24-E29 PolarHBondContact O-N 3.35Å; R24-T41 HydrophobicContact CB-CG2 4.37Å; R24-T41 PolarHBondContact NH1-O 3.23Å
25I81.3Confident85.3Confident59 Ų5972.7 Ų72.730%0.30337%0.373SS..Hα-helixtrans-73.9-39.2173.9-56.1165.3000110H22 L23 L333H22-I25 HydrophobicContact CB-CD1 4.5Å; H22-I25 WeakPolarHBondContact O-CB 3.49Å; H22-I25 VanDerWaalsContact O-CG1 3.28Å; H22-I25 WeakPolarHBondContact O-CG1 3.49Å; H22-I25 PolarHBondContact O-N 3.45Å; L23-I25 PolarHBondContact O-N 3.16Å; L23-I25 VanDerWaalsContact O-N 3.07Å; I25-L333 HydrophobicContact CD1-CD1 3.75Å; I25-L333 HydrophobicContact CD1-CD2 3.39Å; I25-L333 HydrophobicContact CD1-CG 4.2Å; I25-L333 HydrophobicContact CG2-CD1 3.74Å
26H82Confident85.3Confident77 Ų7768.4 Ų68.436%0.35636%0.358SS..Hα-helixtrans-73.4-40.4176.3-66.7-71.1000111.8F8 C9 H22 L23 G28F8-H26 HydrophobicContact CB-CB 4.36Å; F8-H26 VanDerWaalsContact CB-CE1 3.45Å; F8-H26 WeakPolarHBondContact CB-CE1 3.3Å; F8-H26 WeakPolarHBondContact CB-ND1 3.47Å; F8-H26 HydrophobicContact CD2-CB 3.87Å; F8-H26 AromaticContact CD2-CG 3.89Å; F8-H26 HydrophobicContact CE2-CB 4.38Å; F8-H26 HydrophobicContact CG-CB 4.14Å; F8-H26 AromaticContact CG-CG 3.92Å; C9-H26 PolarHBondContact SG-NE2 3.17Å; H22-H26 AromaticContact CE1-NE2 3.59Å; H22-H26 AromaticContact NE2-CD2 3.68Å; H22-H26 AromaticContact NE2-NE2 3.26Å; H22-H26 PolarHBondContact NE2-NE2 2.65Å; L23-H26 WeakPolarHBondContact O-CA 3.44Å; L23-H26 WeakPolarHBondContact O-CB 3.44Å; L23-H26 PolarHBondContact O-N 2.77Å; H26-G28 VanDerWaalsContact C-N 3.34Å
27T83.3Confident85.2Confident89 Ų8966.7 Ų66.755%0.54636%0.356SS..Hα-helixtrans-78.2-18.8179.166.70000113.2L23 R24 E29L23-T27 PolarHBondContact O-N 3.42Å; R24-T27 WeakPolarHBondContact CA-OG1 3.36Å; T27-E29 PolarHBondContact O-N 3.05Å; T27-E29 WeakPolarHBondContact OG1-CB 3.09Å; T27-E29 PolarHBondContact OG1-N 3.07Å
28G80.1Confident85.1Confident53 Ų5369.1 Ų69.155%0.54636%0.357SS..  trans73.45.9-173.500000113.9R24 H26R24-G28 CarbonylContact O-C 3.54Å; R24-G28 WeakPolarHBondContact O-CA 3.11Å; R24-G28 PolarHBondContact O-N 2.93Å; H26-G28 VanDerWaalsContact C-N 3.34Å
29E83.2Confident85.2Confident105 Ų10565 Ų6549%0.49135%0.347SS..  trans-69.7132.7-177.6-165-167.3168.800111.5R24 T27 P31R24-E29 HydrophobicContact CG-CB 4.41Å; R24-E29 PolarHBondContact O-N 3.35Å; T27-E29 PolarHBondContact O-N 3.05Å; T27-E29 WeakPolarHBondContact OG1-CB 3.09Å; T27-E29 PolarHBondContact OG1-N 3.07Å; E29-P31 HydrophobicContact CG-CG 4.1Å
30R86.1Confident85.1Confident110 Ų11065.9 Ų65.942%0.41535%0.349SS..  trans-132.876.3-178.5-59174.577.498.6-3.9110.4Y32 T39 Y40 T41R30-Y32 PolarHBondContact O-N 3.17Å; R30-Y32 VanDerWaalsContact O-N 3.17Å; R30-T39 WeakPolarHBondContact CD-OG1 3.43Å; R30-T39 PolarHBondContact NE-O 2.85Å; R30-T39 PolarHBondContact NE-OG1 3.49Å; R30-T39 PolarHBondContact NH2-O 3.43Å; R30-Y40 CarbonylContact C-O 3.52Å; R30-Y40 WeakPolarHBondContact CA-O 3.25Å; R30-T41 HydrophobicContact CG-CG2 4.11Å
31P87.4Confident85Confident60 Ų6062.2 Ų62.239%0.3933%0.334SS..  trans-65.5-22.4-170.6-20.531.9000114.2E29E29-P31 HydrophobicContact CG-CG 4.1Å
32Y87.1Confident85Confident67 Ų6765.4 Ų65.426%0.26334%0.344SS..EExtended strand (participates in β ladder)trans-98.8100.5-170.4-58-80.5000110.3R30 T39 Y40 R42 K43 L46R30-Y32 PolarHBondContact O-N 3.17Å; R30-Y32 VanDerWaalsContact O-N 3.17Å; Y32-T39 CarbonylContact O-C 3.56Å; Y32-T39 WeakPolarHBondContact O-CA 3.22Å; Y32-Y40 WeakPolarHBondContact CB-O 3.28Å; Y32-Y40 WeakPolarHBondContact CD2-O 3.27Å; Y32-Y40 PolarHBondContact N-O 3.19Å; Y32-Y40 PolarHBondContact O-N 3.45Å; Y32-R42 VanDerWaalsContact CD2-C 3.47Å; Y32-K43 HydrophobicContact CD1-CB 3.9Å; Y32-K43 HydrophobicContact CD1-CG 4.2Å; Y32-K43 HydrophobicContact CE1-CB 3.47Å; Y32-K43 VanDerWaalsContact CE1-CB 3.47Å; Y32-K43 HydrophobicContact CE1-CD 4.41Å; Y32-K43 HydrophobicContact CE1-CG 3.92Å; Y32-L46 HydrophobicContact CD1-CD2 4.45Å
33V87.2Confident85.1Confident87 Ų8771.6 Ų71.653%0.52737%0.371SS..EExtended strand (participates in β ladder)trans-103.3127.6-177.7-172.10000110.2T39V33-T39 HydrophobicContact CB-CG2 4.37Å; V33-T39 HydrophobicContact CG1-CG2 4.08Å; V33-T39 HydrophobicContact CG2-CG2 3.8Å
34C87.4Confident85.3Confident4 Ų475 Ų753%0.02739%0.385CS..  trans-78.8151.6169.2-174.50000109.9C36 G37 K38 Y40 L46 H49 C53 T56C34-C36 PolarHBondContact O-N 3.15Å; C34-G37 PolarHBondContact O-N 3.46Å; C34-K38 WeakPolarHBondContact CB-O 3.26Å; C34-K38 PolarHBondContact N-O 3.24Å; C34-Y40 HydrophobicContact CB-CE2 4.29Å; C34-L46 HydrophobicContact CB-CD1 3.53Å; C34-H49 PolarHBondContact SG-CD2 3.24Å; C34-H49 PolarHBondContact SG-NE2 2.86Å; C34-H49 VanDerWaalsContact SG-NE2 3.42Å; C34-C53 VanDerWaalsContact SG-SG 3.62Å; C34-T56 VanDerWaalsContact SG-CG2 3.58Å
35K85.6Confident85.3Confident178 Ų17876 Ų7677%0.77439%0.391SS*.THydrogen-bonded Turntrans-55.5-18.9173.6-63.4-171.9178.7-178.50113.4G37 T56K35-G37 VanDerWaalsContact C-N 3.27Å; K35-G37 PolarHBondContact O-N 3.13Å; K35-T56 HydrophobicContact CB-CG2 3.71Å; K35-T56 HydrophobicContact CD-CG2 4.15Å; K35-T56 HydrophobicContact CG-CG2 3.89Å
36C86.6Confident85.7Confident32 Ų3274.6 Ų74.622%0.21639%0.385CS..THydrogen-bonded Turntrans-77.6-3.8172.672.80000115.6C34 K38 H49 C53 K55C34-C36 PolarHBondContact O-N 3.15Å; C36-K38 VanDerWaalsContact SG-CB 3.57Å; C36-K38 PolarHBondContact SG-N 2.88Å; C36-K38 VanDerWaalsContact SG-N 3.45Å; C36-H49 PolarHBondContact SG-NE2 3.31Å; C36-C53 WeakPolarHBondContact CB-SG 3.49Å; C36-C53 VanDerWaalsContact SG-SG 3.62Å; C36-K55 HydrophobicContact CB-CB 4.07Å; C36-K55 HydrophobicContact CB-CD 3.73Å; C36-K55 HydrophobicContact CB-CG 4.29Å
37G84.8Confident86Confident51 Ų5174.9 Ų74.953%0.52639%0.392SS..SBendtrans89.4-9.1-174.900000114.5C34 K35 T39C34-G37 PolarHBondContact O-N 3.46Å; K35-G37 VanDerWaalsContact C-N 3.27Å; K35-G37 PolarHBondContact O-N 3.13Å; G37-T39 PolarHBondContact O-N 2.97Å
38K84.3Confident86.2Confident125 Ų12578.2 Ų78.254%0.54339%0.394SS..  trans-71125.5175.4-68.7-178.9-179.1179.40110.4C34 C36 Y40C34-K38 WeakPolarHBondContact CB-O 3.26Å; C34-K38 PolarHBondContact N-O 3.24Å; C36-K38 VanDerWaalsContact SG-CB 3.57Å; C36-K38 PolarHBondContact SG-N 2.88Å; C36-K38 VanDerWaalsContact SG-N 3.45Å; K38-Y40 HydrophobicContact CB-CE2 3.9Å; K38-Y40 WeakPolarHBondContact O-CE2 3.44Å
39T88.3Confident86.5Confident47 Ų4777.2 Ų77.229%0.28838%0.375SS..EExtended strand (participates in β ladder)trans-102.9151.3-178.563.70000111.1R30 Y32 V33 G37R30-T39 WeakPolarHBondContact CD-OG1 3.43Å; R30-T39 PolarHBondContact NE-O 2.85Å; R30-T39 PolarHBondContact NE-OG1 3.49Å; R30-T39 PolarHBondContact NH2-O 3.43Å; Y32-T39 CarbonylContact O-C 3.56Å; Y32-T39 WeakPolarHBondContact O-CA 3.22Å; V33-T39 HydrophobicContact CB-CG2 4.37Å; V33-T39 HydrophobicContact CG1-CG2 4.08Å; V33-T39 HydrophobicContact CG2-CG2 3.8Å; G37-T39 PolarHBondContact O-N 2.97Å
40Y85.3Confident86.6Confident39 Ų3973.7 Ų73.715%0.15336%0.364CS..EExtended strand (participates in β ladder)trans-138.8150.8-176.2-59.5-87.4000110.9R30 Y32 C34 K38 H45 L46 H49R30-Y40 CarbonylContact C-O 3.52Å; R30-Y40 WeakPolarHBondContact CA-O 3.25Å; Y32-Y40 WeakPolarHBondContact CB-O 3.28Å; Y32-Y40 WeakPolarHBondContact CD2-O 3.27Å; Y32-Y40 PolarHBondContact N-O 3.19Å; Y32-Y40 PolarHBondContact O-N 3.45Å; C34-Y40 HydrophobicContact CB-CE2 4.29Å; K38-Y40 HydrophobicContact CB-CE2 3.9Å; K38-Y40 WeakPolarHBondContact O-CE2 3.44Å; Y40-H45 HydrophobicContact CD1-CB 3.77Å; Y40-H45 HydrophobicContact CG-CB 4.24Å; Y40-L46 HydrophobicContact CD2-CB 3.92Å; Y40-L46 HydrophobicContact CD2-CD1 3.96Å; Y40-L46 HydrophobicContact CE2-CD1 4.13Å; Y40-L46 HydrophobicContact CG-CB 4.33Å; Y40-H49 HydrophobicContact CE1-CB 4.27Å; Y40-H49 HydrophobicContact CE2-CB 4.01Å; Y40-H49 AromaticContact CE2-CD2 3.66Å; Y40-H49 AromaticContact CE2-CG 3.94Å; Y40-H49 AromaticContact CZ-CD2 3.73Å; Y40-H49 AromaticContact CZ-CG 3.58Å; Y40-H49 WeakPolarHBondContact OH-CB 3.47Å; Y40-H49 PolarHBondContact OH-CD2 3.43Å; Y40-H49 PolarHBondContact OH-ND1 2.95Å
41T84.6Confident86.6Confident27 Ų2772.4 Ų72.417%0.16637%0.372CS..SBendtrans-83.7-17.4177.655.60000113.5R24 R30R24-T41 HydrophobicContact CB-CG2 4.37Å; R24-T41 PolarHBondContact NH1-O 3.23Å; R30-T41 HydrophobicContact CG-CG2 4.11Å
42R83.9Confident86.4Confident73 Ų7377.2 Ų77.228%0.27539%0.387SS..SBendtrans-135138.8-177.2-63.7-176.7-177.6169.80.1111.7A21 Y32 Q44 H45 L46A21-R42 HydrophobicContact CB-CG 3.94Å; Y32-R42 VanDerWaalsContact CD2-C 3.47Å; R42-Q44 HydrophobicContact CB-CG 4.16Å; R42-Q44 PolarHBondContact O-N 2.77Å; R42-H45 PolarHBondContact O-N 2.76Å; R42-H45 VanDerWaalsContact O-N 3.08Å; R42-L46 PolarHBondContact O-N 2.87Å
43K88.4Confident86.2Confident142 Ų14274.2 Ų74.262%0.61738%0.375SS*.Hα-helixtrans-52.8-47.6178.2-167.5175.7179178.20113Y32 H45 L46 T47Y32-K43 HydrophobicContact CD1-CB 3.9Å; Y32-K43 HydrophobicContact CD1-CG 4.2Å; Y32-K43 HydrophobicContact CE1-CB 3.47Å; Y32-K43 VanDerWaalsContact CE1-CB 3.47Å; Y32-K43 HydrophobicContact CE1-CD 4.41Å; Y32-K43 HydrophobicContact CE1-CG 3.92Å; K43-H45 PolarHBondContact O-N 2.93Å; K43-H45 VanDerWaalsContact O-N 3.14Å; K43-L46 WeakPolarHBondContact O-CA 3.47Å; K43-L46 WeakPolarHBondContact O-CB 3.4Å; K43-L46 PolarHBondContact O-N 3.34Å; K43-T47 PolarHBondContact O-N 2.95Å; K43-T47 PolarHBondContact O-OG1 3.18Å
44Q87.7Confident85.6Confident119 Ų11975.3 Ų75.356%0.55639%0.385SS*.Hα-helixtrans-57.1-31.5179.765.3-179.819.100113.7R42 R48R42-Q44 HydrophobicContact CB-CG 4.16Å; R42-Q44 PolarHBondContact O-N 2.77Å; Q44-R48 WeakPolarHBondContact O-CB 3.3Å; Q44-R48 PolarHBondContact O-N 3.13Å; Q44-R48 VanDerWaalsContact O-N 3.08Å
45H87Confident85Confident51 Ų5182.2 Ų82.224%0.23641%0.414CS..Hα-helixtrans-75.4-39177.9-65.5172.7000111.1Y40 R42 K43 H49Y40-H45 HydrophobicContact CD1-CB 3.77Å; Y40-H45 HydrophobicContact CG-CB 4.24Å; R42-H45 PolarHBondContact O-N 2.76Å; R42-H45 VanDerWaalsContact O-N 3.08Å; K43-H45 PolarHBondContact O-N 2.93Å; K43-H45 VanDerWaalsContact O-N 3.14Å; H45-H49 WeakPolarHBondContact O-CB 3.41Å; H45-H49 PolarHBondContact O-N 3.22Å
46L89.3Confident84.1Confident31 Ų3175.7 Ų75.716%0.16239%0.389CS..Hα-helixtrans-61-49170.2171.663.5000110.5Y32 C34 Y40 R42 K43 R48 H49 A50Y32-L46 HydrophobicContact CD1-CD2 4.45Å; C34-L46 HydrophobicContact CB-CD1 3.53Å; Y40-L46 HydrophobicContact CD2-CB 3.92Å; Y40-L46 HydrophobicContact CD2-CD1 3.96Å; Y40-L46 HydrophobicContact CE2-CD1 4.13Å; Y40-L46 HydrophobicContact CG-CB 4.33Å; R42-L46 PolarHBondContact O-N 2.87Å; K43-L46 WeakPolarHBondContact O-CA 3.47Å; K43-L46 WeakPolarHBondContact O-CB 3.4Å; K43-L46 PolarHBondContact O-N 3.34Å; L46-R48 PolarHBondContact O-N 3.33Å; L46-H49 CarbonylContact O-C 3.5Å; L46-H49 WeakPolarHBondContact O-CA 3.46Å; L46-H49 WeakPolarHBondContact O-CB 3.34Å; L46-H49 PolarHBondContact O-N 3.31Å; L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 3.11Å
47T88.7Confident83Confident83 Ų8376.2 Ų76.251%0.50939%0.389SS..Hα-helixtrans-57.6-46.7179.9-540000112K43 H49 A50 S51K43-T47 PolarHBondContact O-N 2.95Å; K43-T47 PolarHBondContact O-OG1 3.18Å; T47-H49 PolarHBondContact O-N 2.95Å; T47-A50 PolarHBondContact O-N 3.48Å; T47-S51 PolarHBondContact O-N 3.42Å; T47-S51 VanDerWaalsContact O-N 3.15Å
48R86.9Confident81.8Confident159 Ų15978 Ų7860%0.639%0.392SS*.Hα-helixtrans-63.5-29.5176.3-176176.565.3-157.8-1.7113Q44 L46 S51Q44-R48 WeakPolarHBondContact O-CB 3.3Å; Q44-R48 PolarHBondContact O-N 3.13Å; Q44-R48 VanDerWaalsContact O-N 3.08Å; L46-R48 PolarHBondContact O-N 3.33Å; R48-S51 PolarHBondContact O-OG 3Å
49H86.9Confident80.6Confident32 Ų3281 Ų8115%0.14841%0.408CS..Hα-helixtrans-79.3-45.9175.217265.8000111.9C34 C36 Y40 H45 L46 T47 S51 K52 C53C34-H49 PolarHBondContact SG-CD2 3.24Å; C34-H49 PolarHBondContact SG-NE2 2.86Å; C34-H49 VanDerWaalsContact SG-NE2 3.42Å; C36-H49 PolarHBondContact SG-NE2 3.31Å; Y40-H49 HydrophobicContact CE1-CB 4.27Å; Y40-H49 HydrophobicContact CE2-CB 4.01Å; Y40-H49 AromaticContact CE2-CD2 3.66Å; Y40-H49 AromaticContact CE2-CG 3.94Å; Y40-H49 AromaticContact CZ-CD2 3.73Å; Y40-H49 AromaticContact CZ-CG 3.58Å; Y40-H49 WeakPolarHBondContact OH-CB 3.47Å; Y40-H49 PolarHBondContact OH-CD2 3.43Å; Y40-H49 PolarHBondContact OH-ND1 2.95Å; H45-H49 WeakPolarHBondContact O-CB 3.41Å; H45-H49 PolarHBondContact O-N 3.22Å; L46-H49 CarbonylContact O-C 3.5Å; L46-H49 WeakPolarHBondContact O-CA 3.46Å; L46-H49 WeakPolarHBondContact O-CB 3.34Å; L46-H49 PolarHBondContact O-N 3.31Å; T47-H49 PolarHBondContact O-N 2.95Å; H49-S51 VanDerWaalsContact C-N 3.25Å; H49-S51 PolarHBondContact O-N 3.16Å; H49-K52 CarbonylContact O-C 3.07Å; H49-K52 WeakPolarHBondContact O-CA 3.36Å; H49-K52 PolarHBondContact O-N 3.45Å; H49-C53 WeakPolarHBondContact NE2-CB 3.39Å; H49-C53 PolarHBondContact NE2-SG 3.14Å; H49-C53 VanDerWaalsContact NE2-SG 3.36Å; H49-C53 VanDerWaalsContact O-CB 3.28Å; H49-C53 WeakPolarHBondContact O-CB 3.42Å; H49-C53 PolarHBondContact O-N 3.1Å
50A85.7Confident79Confident31 Ų3184.8 Ų84.826%0.25643%0.426SS..Hα-helixtrans-60.2-34.6-177.500000112L46 T47 K52 C53 T56L46-A50 WeakPolarHBondContact O-CB 3.47Å; L46-A50 PolarHBondContact O-N 3.11Å; T47-A50 PolarHBondContact O-N 3.48Å; A50-K52 PolarHBondContact O-N 3.38Å; A50-C53 PolarHBondContact O-N 2.91Å; A50-T56 PolarHBondContact O-OG1 3.27Å
51S84.8Confident77.5Confident83 Ų8387.5 Ų87.558%0.5844%0.443SS*.THydrogen-bonded Turntrans-65.7-16.2173.963.70000114.4T47 R48 H49T47-S51 PolarHBondContact O-N 3.42Å; T47-S51 VanDerWaalsContact O-N 3.15Å; R48-S51 PolarHBondContact O-OG 3Å; H49-S51 VanDerWaalsContact C-N 3.25Å; H49-S51 PolarHBondContact O-N 3.16Å
52K83.4Confident76.2Confident161 Ų16193.2 Ų93.270%0.747%0.472SS*.THydrogen-bonded Turntrans-121.52.6-179.5-57.8-175.2-179.5-168.80112.8H49 A50 P54H49-K52 CarbonylContact O-C 3.07Å; H49-K52 WeakPolarHBondContact O-CA 3.36Å; H49-K52 PolarHBondContact O-N 3.45Å; A50-K52 PolarHBondContact O-N 3.38Å; K52-P54 WeakPolarHBondContact O-CD 3.39Å
53C82.3Confident74.9Confident3 Ų394.6 Ų94.62%0.0249%0.493CS..  trans-88.4121.4-172.5179.80000109.1C34 C36 H49 A50 K55 T56 I57C34-C53 VanDerWaalsContact SG-SG 3.62Å; C36-C53 WeakPolarHBondContact CB-SG 3.49Å; C36-C53 VanDerWaalsContact SG-SG 3.62Å; H49-C53 WeakPolarHBondContact NE2-CB 3.39Å; H49-C53 PolarHBondContact NE2-SG 3.14Å; H49-C53 VanDerWaalsContact NE2-SG 3.36Å; H49-C53 VanDerWaalsContact O-CB 3.28Å; H49-C53 WeakPolarHBondContact O-CB 3.42Å; H49-C53 PolarHBondContact O-N 3.1Å; A50-C53 PolarHBondContact O-N 2.91Å; C53-K55 PolarHBondContact O-N 3.49Å; C53-T56 WeakPolarHBondContact CB-OG1 3.36Å; C53-T56 PolarHBondContact O-N 2.88Å; C53-T56 PolarHBondContact O-OG1 3.36Å; C53-I57 VanDerWaalsContact O-CG1 3.32Å; C53-I57 WeakPolarHBondContact O-CG1 3.47Å; C53-I57 PolarHBondContact O-N 2.84Å
54P76.1Confident73.1Confident111 Ų11196 Ų9672%0.72150%0.499SS*.THydrogen-bonded Turntrans-55.5-31.3-177.6-26.333.9000113.6K52K52-P54 WeakPolarHBondContact O-CD 3.39Å
55K73.8Confident71.2Confident148 Ų14898.5 Ų98.564%0.64351%0.511SS*.THydrogen-bonded Turntrans-85.2-5.3-177.4-64.5-178173.4-1760114.9C36 C53C36-K55 HydrophobicContact CB-CB 4.07Å; C36-K55 HydrophobicContact CB-CD 3.73Å; C36-K55 HydrophobicContact CB-CG 4.29Å; C53-K55 PolarHBondContact O-N 3.49Å
56T68.1Low69.2Low41 Ų41105.5 Ų105.525%0.25254%0.54SS..THydrogen-bonded Turntrans-114.1-12.9174.451.10000112.9C34 K35 A50 C53 P58C34-T56 VanDerWaalsContact SG-CG2 3.58Å; K35-T56 HydrophobicContact CB-CG2 3.71Å; K35-T56 HydrophobicContact CD-CG2 4.15Å; K35-T56 HydrophobicContact CG-CG2 3.89Å; A50-T56 PolarHBondContact O-OG1 3.27Å; C53-T56 WeakPolarHBondContact CB-OG1 3.36Å; C53-T56 PolarHBondContact O-N 2.88Å; C53-T56 PolarHBondContact O-OG1 3.36Å; T56-P58 WeakPolarHBondContact O-CD 3.2Å
57I63Low67.2Low44 Ų44112.6 Ų112.623%0.22657%0.573CS.*SBendtrans-79.2118171.1-61.4163.3000106.1C53 E59 N61C53-I57 VanDerWaalsContact O-CG1 3.32Å; C53-I57 WeakPolarHBondContact O-CG1 3.47Å; C53-I57 PolarHBondContact O-N 2.84Å; I57-E59 PolarHBondContact O-N 3.26Å; I57-N61 HydrophobicContact CG2-CB 3.84Å
58P59.6Low65Low88 Ų88113 Ų11357%0.57158%0.577SS**  trans-56.3133.1168.6-17.529.6000108T56 N60 N61T56-P58 WeakPolarHBondContact O-CD 3.2Å; P58-N60 PolarHBondContact O-N 3.39Å; P58-N61 PolarHBondContact O-N 3.2Å
59E59.4Low63.2Low188 Ų188112.1 Ų112.188%0.87959%0.589SS**G310 helixtrans-49.5-22.7-172.3-67.6177.7155.400113.6I57 N61I57-E59 PolarHBondContact O-N 3.26Å; E59-N61 VanDerWaalsContact C-N 3.3Å; E59-N61 PolarHBondContact O-N 3.42Å
60N55Low61.6Low127 Ų127118.1 Ų118.168%0.67962%0.615SS**G310 helixtrans-77.41.6177.2-149.2-4.3000116P58P58-N60 PolarHBondContact O-N 3.39Å
61N53.5Low60.3Low95 Ų95122.7 Ų122.751%0.50864%0.639SS.*G310 helixtrans-113.94.6177.8-77.9-75.8000114.4I57 P58 E59 S63I57-N61 HydrophobicContact CG2-CB 3.84Å; P58-N61 PolarHBondContact O-N 3.2Å; E59-N61 VanDerWaalsContact C-N 3.3Å; E59-N61 PolarHBondContact O-N 3.42Å; N61-S63 VanDerWaalsContact C-N 3.31Å
62L56.1Low59.3Low148 Ų148124.8 Ų124.878%0.77564%0.64SS**SBendtrans-79.4-17.8173.5-160.759.1000112.4
63S56.7Low58.7Low102 Ų102124.5 Ų124.571%0.71364%0.638SS**SBendtrans-111.91.9-173.56.80000114.7N61N61-S63 VanDerWaalsContact C-N 3.31Å
64K51.7Low58.9Low170 Ų170128.1 Ų128.174%0.73966%0.661SS**  trans-118.851.1173.5-86.8179.8-179.8171.80111.8K66K64-K66 PolarHBondContact O-N 3.19Å
65Q47.4Very low59.4Low173 Ų173126.5 Ų126.581%0.80864%0.64SS**  trans-88.282.8144.1-69.1-170.229.600106.1E67Q65-E67 PolarHBondContact O-N 3.22Å; Q65-E67 VanDerWaalsContact O-N 3.08Å
66K45.8Very low60.1Low197 Ų197123.8 Ų123.886%0.85764%0.64SS**  trans-48.8118.2154.5-125.1179.9-177.5-176.40104.6K64 P68K64-K66 PolarHBondContact O-N 3.19Å; K66-P68 WeakPolarHBondContact O-CD 3.37Å
67E45.4Very low61.2Low180 Ų180122.2 Ų122.284%0.84163%0.631SS**  trans-46.8113.3176.4-74.2-161.312600107.6Q65 V69Q65-E67 PolarHBondContact O-N 3.22Å; Q65-E67 VanDerWaalsContact O-N 3.08Å; E67-V69 PolarHBondContact O-N 2.94Å
68P44.4Very low62.5Low93 Ų93125.2 Ų125.260%0.60466%0.656SS**  trans-64124.2161.627.8-26.8000103.2K66 K70K66-P68 WeakPolarHBondContact O-CD 3.37Å; P68-K70 PolarHBondContact O-N 3.33Å
69V48.4Very low63.8Low139 Ų139127.1 Ų127.184%0.84266%0.657SS**  trans-5594.2160.4176.70000104.6E67 V71E67-V69 PolarHBondContact O-N 2.94Å; V69-V71 PolarHBondContact O-N 3.23Å
70K53.7Low65.3Low159 Ų159120.6 Ų120.669%0.69163%0.631SS**  trans-82.389.8-169.3-162-176.2-175.3-169.50102.6P68 E72P68-K70 PolarHBondContact O-N 3.33Å; K70-E72 PolarHBondContact O-N 3.4Å
71V57.2Low66.8Low127 Ų127120.6 Ų120.677%0.7764%0.642SS**  trans-55.396.4164.4179.30000104.6V69 K73V69-V71 PolarHBondContact O-N 3.23Å; V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.96Å
72E64Low68.3Low127 Ų127117.5 Ų117.559%0.59363%0.629SS**  trans-66.5101-179-75.8-155.9142.300105.4K70 T74K70-E72 PolarHBondContact O-N 3.4Å; E72-T74 PolarHBondContact O-N 3.39Å
73K72.3Confident69.5Low154 Ų154112.4 Ų112.467%0.6761%0.613SS**  trans-65.491.1173.1-165.8168.2-168.7166.80107.1V71 Y75V71-K73 VanDerWaalsContact C-N 3.31Å; V71-K73 PolarHBondContact O-N 2.96Å; K73-Y75 HydrophobicContact CG-CE1 4.47Å; K73-Y75 HydrophobicContact CG-CE2 4.38Å; K73-Y75 WeakPolarHBondContact O-CD2 3.33Å; K73-Y75 WeakPolarHBondContact O-CE2 3.42Å
74T85.2Confident71Confident80 Ų80112.3 Ų112.349%0.49161%0.61SS.*  trans-76150.2171.354.50000108.5E72 P84E72-T74 PolarHBondContact O-N 3.39Å; T74-P84 HydrophobicContact CG2-CB 3.68Å; T74-P84 HydrophobicContact CG2-CG 4.48Å
75Y87.4Confident72.6Confident76 Ų76105.8 Ų105.830%0.29858%0.581SS.*BIsolated β-bridgetrans-123.9135.2176.6-57.7-95.4000107.3K73 F85 K88 V91K73-Y75 HydrophobicContact CG-CE1 4.47Å; K73-Y75 HydrophobicContact CG-CE2 4.38Å; K73-Y75 WeakPolarHBondContact O-CD2 3.33Å; K73-Y75 WeakPolarHBondContact O-CE2 3.42Å; Y75-F85 PolarHBondContact N-O 2.84Å; Y75-F85 WeakPolarHBondContact O-CA 3.12Å; Y75-F85 VanDerWaalsContact O-CB 3.28Å; Y75-F85 WeakPolarHBondContact O-CB 3.46Å; Y75-F85 VanDerWaalsContact O-CD2 3.26Å; Y75-F85 WeakPolarHBondContact O-CD2 3.47Å; Y75-F85 PolarHBondContact O-N 2.76Å; Y75-K88 HydrophobicContact CD1-CB 3.98Å; Y75-K88 HydrophobicContact CD1-CG 4.4Å; Y75-K88 HydrophobicContact CE1-CB 3.79Å; Y75-K88 HydrophobicContact CE1-CG 4.37Å; Y75-K88 HydrophobicContact CE2-CB 4.46Å; Y75-K88 HydrophobicContact CG-CB 4.4Å; Y75-V91 HydrophobicContact CG-CG2 4.46Å
76S88.7Confident74.4Confident91 Ų91104.3 Ų104.364%0.63657%0.574SS**  trans-109.6161.4174.745.90000110.4
77C90Very high76.3Confident9 Ų9100.1 Ų100.16%0.06156%0.556CS.*  trans-69.9138.3164.9-178.50000109.5Q79 C80 A82 F85 H94 M95 H99C77-Q79 PolarHBondContact SG-N 3.49Å; C77-C80 WeakPolarHBondContact CB-O 3.45Å; C77-C80 PolarHBondContact SG-N 3.34Å; C77-C80 VanDerWaalsContact SG-N 3.43Å; C77-C80 PolarHBondContact SG-SG 2.87Å; C77-A82 HydrophobicContact CB-CB 4.08Å; C77-A82 VanDerWaalsContact CB-O 3.3Å; C77-A82 WeakPolarHBondContact CB-O 3.46Å; C77-A82 PolarHBondContact N-O 3.08Å; C77-F85 HydrophobicContact CB-CE2 4.3Å; C77-H94 VanDerWaalsContact SG-CD2 3.5Å; C77-H94 PolarHBondContact SG-NE2 3.25Å; C77-M95 HydrophobicContact CB-CE 4.19Å; C77-M95 WeakPolarHBondContact SG-CE 3.35Å; C77-H99 PolarHBondContact SG-NE2 3.26Å
78S89.9Confident78.4Confident107 Ų10798.9 Ų98.975%0.74855%0.548SS*.SBendtrans-86-8.2175.161.30000114M95S78-M95 VanDerWaalsContact N-CE 3.3Å; S78-M95 VanDerWaalsContact OG-CE 3.27Å; S78-M95 WeakPolarHBondContact OG-CE 3.38Å
79Q88.2Confident80.5Confident128 Ų128101.6 Ų101.660%0.59855%0.55SS**SBendtrans-115.7-6.5-176.3-64.9-170.312.200113.6C77 M95 H99C77-Q79 PolarHBondContact SG-N 3.49Å; Q79-M95 HydrophobicContact CG-CE 4.46Å; Q79-H99 VanDerWaalsContact CB-CE1 3.47Å; Q79-H99 WeakPolarHBondContact CB-CE1 3.44Å; Q79-H99 VanDerWaalsContact OE1-CB 3.24Å; Q79-H99 VanDerWaalsContact OE1-CG 3.23Å; Q79-H99 PolarHBondContact OE1-ND1 3.34Å; Q79-H99 VanDerWaalsContact OE1-ND1 3.13Å
80C89.9Confident82.4Confident50 Ų5098.8 Ų98.834%0.33853%0.529SS..SBendtrans-158.2172174.170.50000110.6C77 A82 H94 H99C77-C80 WeakPolarHBondContact CB-O 3.45Å; C77-C80 PolarHBondContact SG-N 3.34Å; C77-C80 VanDerWaalsContact SG-N 3.43Å; C77-C80 PolarHBondContact SG-SG 2.87Å; C80-A82 PolarHBondContact O-N 3.28Å; C80-A82 WeakPolarHBondContact SG-CB 3.36Å; C80-A82 PolarHBondContact SG-N 2.88Å; C80-H94 VanDerWaalsContact SG-CE1 3.55Å; C80-H94 PolarHBondContact SG-NE2 3.38Å; C80-H99 PolarHBondContact SG-NE2 3.12Å
81S87.4Confident84.1Confident128 Ų12892 Ų9290%0.89550%0.501SS*.SBendtrans-729.2179.1-46.10000114.5G83S81-G83 PolarHBondContact O-N 3.49Å
82A84Confident85.6Confident29 Ų2989.8 Ų89.824%0.2449%0.491CS..  trans-68.2125.9178.500000111.1C77 C80 F85 H94C77-A82 HydrophobicContact CB-CB 4.08Å; C77-A82 VanDerWaalsContact CB-O 3.3Å; C77-A82 WeakPolarHBondContact CB-O 3.46Å; C77-A82 PolarHBondContact N-O 3.08Å; C80-A82 PolarHBondContact O-N 3.28Å; C80-A82 WeakPolarHBondContact SG-CB 3.36Å; C80-A82 PolarHBondContact SG-N 2.88Å; A82-F85 HydrophobicContact CB-CE2 4.08Å; A82-F85 HydrophobicContact CB-CZ 3.93Å; A82-F85 WeakPolarHBondContact O-CE2 3.48Å; A82-H94 WeakPolarHBondContact CB-CE1 3.4Å
83G82.8Confident86.8Confident42 Ų4284.5 Ų84.543%0.43347%0.469SS..  trans145.4177.1-177.100000110.6S81S81-G83 PolarHBondContact O-N 3.49Å
84P86.9Confident87.6Confident100 Ų10078.4 Ų78.465%0.64944%0.443SS*.  cis-73.3133.5-3.627.8-32.3000112.8T74T74-P84 HydrophobicContact CG2-CB 3.68Å; T74-P84 HydrophobicContact CG2-CG 4.48Å
85F85.7Confident87.8Confident33 Ų3376.6 Ų76.615%0.14543%0.429CS..BIsolated β-bridgetrans-91.1139.3170.5-60.9-86.1000110.7Y75 C77 A82 K87 M90 V91 H94Y75-F85 PolarHBondContact N-O 2.84Å; Y75-F85 WeakPolarHBondContact O-CA 3.12Å; Y75-F85 VanDerWaalsContact O-CB 3.28Å; Y75-F85 WeakPolarHBondContact O-CB 3.46Å; Y75-F85 VanDerWaalsContact O-CD2 3.26Å; Y75-F85 WeakPolarHBondContact O-CD2 3.47Å; Y75-F85 PolarHBondContact O-N 2.76Å; C77-F85 HydrophobicContact CB-CE2 4.3Å; A82-F85 HydrophobicContact CB-CE2 4.08Å; A82-F85 HydrophobicContact CB-CZ 3.93Å; A82-F85 WeakPolarHBondContact O-CE2 3.48Å; F85-K87 VanDerWaalsContact C-N 3.29Å; F85-K87 PolarHBondContact O-N 3.35Å; F85-M90 HydrophobicContact CB-CB 4.04Å; F85-M90 HydrophobicContact CD1-CB 3.69Å; F85-M90 HydrophobicContact CD1-CE 4.38Å; F85-M90 HydrophobicContact CG-CB 4.19Å; F85-V91 HydrophobicContact CB-CG2 3.84Å; F85-V91 HydrophobicContact CD2-CB 4.41Å; F85-V91 HydrophobicContact CD2-CG2 3.51Å; F85-V91 HydrophobicContact CE2-CG2 4.21Å; F85-V91 HydrophobicContact CG-CG2 3.83Å; F85-H94 HydrophobicContact CE1-CB 4.02Å; F85-H94 HydrophobicContact CE2-CB 4.39Å; F85-H94 HydrophobicContact CZ-CB 3.61Å; F85-H94 AromaticContact CZ-CG 3.6Å; F85-H94 AromaticContact CZ-ND1 3.78Å
86Q85.1Confident87.8Confident142 Ų14274.7 Ų74.766%0.66443%0.429SS*.SBendtrans-71.6-20-179.5-64.9-178.6-16.500114.1M90Q86-M90 HydrophobicContact CB-SD 4.27Å
87K86.5Confident87.7Confident109 Ų10972.8 Ų72.847%0.47441%0.412SS..SBendtrans-146.7140.4-173.2-61.7177-176.8160.30110.7F85 K89 M90F85-K87 VanDerWaalsContact C-N 3.29Å; F85-K87 PolarHBondContact O-N 3.35Å; K87-K89 HydrophobicContact CB-CG 4Å; K87-K89 PolarHBondContact O-N 3.36Å; K87-M90 HydrophobicContact CB-CG 4.35Å; K87-M90 HydrophobicContact CB-SD 4.4Å; K87-M90 WeakPolarHBondContact O-CB 3.48Å; K87-M90 PolarHBondContact O-N 3.31Å
88K88.4Confident87.6Confident154 Ų15476.5 Ų76.567%0.6743%0.434SS*.Hα-helixtrans-50.3-35.7174.9-170.1173.6-178.7176.30114Y75 M90 V91 S92Y75-K88 HydrophobicContact CD1-CB 3.98Å; Y75-K88 HydrophobicContact CD1-CG 4.4Å; Y75-K88 HydrophobicContact CE1-CB 3.79Å; Y75-K88 HydrophobicContact CE1-CG 4.37Å; Y75-K88 HydrophobicContact CE2-CB 4.46Å; Y75-K88 HydrophobicContact CG-CB 4.4Å; K88-M90 PolarHBondContact O-N 2.89Å; K88-V91 PolarHBondContact O-N 3.04Å; K88-S92 PolarHBondContact O-N 2.8Å
89K89.3Confident87.5Confident150 Ų15074.4 Ų74.465%0.65241%0.412SS*.Hα-helixtrans-64.6-24.617770.7179.4-176.8177.10114.1K87 A93K87-K89 HydrophobicContact CB-CG 4Å; K87-K89 PolarHBondContact O-N 3.36Å; K89-A93 VanDerWaalsContact O-CB 3.3Å; K89-A93 WeakPolarHBondContact O-CB 3.28Å; K89-A93 PolarHBondContact O-N 3.2Å
90M88.8Confident87.3Confident79 Ų7970 Ų7039%0.38940%0.401SS..Hα-helixtrans-76.2-40.2175.6-63.8174.370.100110.1F85 Q86 K87 K88 A93 H94F85-M90 HydrophobicContact CB-CB 4.04Å; F85-M90 HydrophobicContact CD1-CB 3.69Å; F85-M90 HydrophobicContact CD1-CE 4.38Å; F85-M90 HydrophobicContact CG-CB 4.19Å; Q86-M90 HydrophobicContact CB-SD 4.27Å; K87-M90 HydrophobicContact CB-CG 4.35Å; K87-M90 HydrophobicContact CB-SD 4.4Å; K87-M90 WeakPolarHBondContact O-CB 3.48Å; K87-M90 PolarHBondContact O-N 3.31Å; K88-M90 PolarHBondContact O-N 2.89Å; M90-A93 PolarHBondContact O-N 3.19Å; M90-H94 WeakPolarHBondContact O-CB 3.28Å; M90-H94 PolarHBondContact O-N 2.76Å
91V89.1Confident86.8Confident17 Ų1774.4 Ų74.410%0.10342%0.417CS..Hα-helixtrans-60.8-47.8170.1-171.70000110.7Y75 F85 K88 A93 H94 M95Y75-V91 HydrophobicContact CG-CG2 4.46Å; F85-V91 HydrophobicContact CB-CG2 3.84Å; F85-V91 HydrophobicContact CD2-CB 4.41Å; F85-V91 HydrophobicContact CD2-CG2 3.51Å; F85-V91 HydrophobicContact CE2-CG2 4.21Å; F85-V91 HydrophobicContact CG-CG2 3.83Å; K88-V91 PolarHBondContact O-N 3.04Å; V91-A93 VanDerWaalsContact C-N 3.27Å; V91-A93 PolarHBondContact O-N 2.94Å; V91-H94 CarbonylContact O-C 3.39Å; V91-H94 WeakPolarHBondContact O-CB 3.48Å; V91-H94 PolarHBondContact O-N 3.44Å; V91-H94 VanDerWaalsContact O-N 3.13Å; V91-M95 HydrophobicContact CG1-CE 4.15Å; V91-M95 HydrophobicContact CG1-CG 4.17Å; V91-M95 WeakPolarHBondContact O-CB 3.25Å; V91-M95 VanDerWaalsContact O-CG 3.25Å; V91-M95 WeakPolarHBondContact O-CG 3.32Å; V91-M95 PolarHBondContact O-N 2.82Å
92S88.9Confident86.7Confident80 Ų8073.8 Ų73.856%0.55940%0.395SS*.Hα-helixtrans-59.7-38.3176.91720000112.4K88 A96K88-S92 PolarHBondContact O-N 2.8Å; S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 2.84Å
93A88.7Confident87Confident16 Ų1679.6 Ų79.613%0.13241%0.414CS..Hα-helixtrans-67.2-41.217400000112.9K89 M90 V91 A96 I97 P114K89-A93 VanDerWaalsContact O-CB 3.3Å; K89-A93 WeakPolarHBondContact O-CB 3.28Å; K89-A93 PolarHBondContact O-N 3.2Å; M90-A93 PolarHBondContact O-N 3.19Å; V91-A93 VanDerWaalsContact C-N 3.27Å; V91-A93 PolarHBondContact O-N 2.94Å; A93-A96 PolarHBondContact O-N 3.25Å; A93-I97 VanDerWaalsContact O-CG1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.44Å; A93-I97 PolarHBondContact O-N 3.18Å; A93-P114 HydrophobicContact CB-CB 3.92Å; A93-P114 HydrophobicContact CB-CG 3.49Å; A93-P114 VanDerWaalsContact CB-CG 3.49Å
94H89Confident87.3Confident26 Ų2680.2 Ų80.212%0.1241%0.406CS..Hα-helixtrans-59.1-51.7172.7166.485.8000110.8C77 C80 A82 F85 M90 V91 A96 I97 V98 H99C77-H94 VanDerWaalsContact SG-CD2 3.5Å; C77-H94 PolarHBondContact SG-NE2 3.25Å; C80-H94 VanDerWaalsContact SG-CE1 3.55Å; C80-H94 PolarHBondContact SG-NE2 3.38Å; A82-H94 WeakPolarHBondContact CB-CE1 3.4Å; F85-H94 HydrophobicContact CE1-CB 4.02Å; F85-H94 HydrophobicContact CE2-CB 4.39Å; F85-H94 HydrophobicContact CZ-CB 3.61Å; F85-H94 AromaticContact CZ-CG 3.6Å; F85-H94 AromaticContact CZ-ND1 3.78Å; M90-H94 WeakPolarHBondContact O-CB 3.28Å; M90-H94 PolarHBondContact O-N 2.76Å; V91-H94 CarbonylContact O-C 3.39Å; V91-H94 WeakPolarHBondContact O-CB 3.48Å; V91-H94 PolarHBondContact O-N 3.44Å; V91-H94 VanDerWaalsContact O-N 3.13Å; H94-A96 VanDerWaalsContact C-N 3.3Å; H94-A96 PolarHBondContact O-N 3.11Å; H94-I97 PolarHBondContact O-N 3.29Å; H94-I97 VanDerWaalsContact O-N 3.08Å; H94-V98 WeakPolarHBondContact O-CB 3.46Å; H94-V98 PolarHBondContact O-N 3.42Å; H94-H99 AromaticContact CD2-CD2 3.72Å; H94-H99 AromaticContact CD2-NE2 3.95Å; H94-H99 AromaticContact CE1-NE2 3.93Å; H94-H99 AromaticContact NE2-CD2 3.24Å; H94-H99 PolarHBondContact NE2-CD2 3.39Å; H94-H99 AromaticContact NE2-NE2 3.04Å; H94-H99 PolarHBondContact NE2-NE2 3.16Å
95M88.8Confident87.3Confident42 Ų4277.7 Ų77.721%0.20739%0.389CS..Iπ-helixtrans-56.2-45.3177.6-68.3-61-168.800111.3C77 S78 Q79 V91 I97 H99 G100C77-M95 HydrophobicContact CB-CE 4.19Å; C77-M95 WeakPolarHBondContact SG-CE 3.35Å; S78-M95 VanDerWaalsContact N-CE 3.3Å; S78-M95 VanDerWaalsContact OG-CE 3.27Å; S78-M95 WeakPolarHBondContact OG-CE 3.38Å; Q79-M95 HydrophobicContact CG-CE 4.46Å; V91-M95 HydrophobicContact CG1-CE 4.15Å; V91-M95 HydrophobicContact CG1-CG 4.17Å; V91-M95 WeakPolarHBondContact O-CB 3.25Å; V91-M95 VanDerWaalsContact O-CG 3.25Å; V91-M95 WeakPolarHBondContact O-CG 3.32Å; V91-M95 PolarHBondContact O-N 2.82Å; M95-I97 VanDerWaalsContact C-N 3.27Å; M95-I97 PolarHBondContact O-N 3.32Å; M95-H99 CarbonylContact O-C 3.58Å; M95-H99 PolarHBondContact O-N 2.74Å; M95-H99 VanDerWaalsContact O-N 3.09Å; M95-H99 HydrophobicContact SD-CB 4.2Å; M95-H99 PolarHBondContact SD-CD2 3.17Å; M95-G100 PolarHBondContact O-N 2.81Å
96A87.7Confident87.3Confident37 Ų3776.1 Ų76.131%0.30638%0.382SS..Iπ-helixtrans-65.9-24.1179.500000114.5S92 A93 H94 P114S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 2.84Å; A93-A96 PolarHBondContact O-N 3.25Å; H94-A96 VanDerWaalsContact C-N 3.3Å; H94-A96 PolarHBondContact O-N 3.11Å; A96-P114 HydrophobicContact CB-CB 4.36Å
97I86.6Confident87.2Confident51 Ų5175.9 Ų75.926%0.26239%0.385SS..Iπ-helixtrans-96.7-44.8-178.6-65.9167.9000111.9A93 H94 M95 A112 P114A93-I97 VanDerWaalsContact O-CG1 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.44Å; A93-I97 PolarHBondContact O-N 3.18Å; H94-I97 PolarHBondContact O-N 3.29Å; H94-I97 VanDerWaalsContact O-N 3.08Å; M95-I97 VanDerWaalsContact C-N 3.27Å; M95-I97 PolarHBondContact O-N 3.32Å; I97-A112 HydrophobicContact CG2-CB 4.03Å; I97-P114 HydrophobicContact CD1-CG 3.72Å; I97-P114 HydrophobicContact CG1-CG 4.08Å
98V87.6Confident86.9Confident86 Ų8676.3 Ų76.352%0.52139%0.387SS..Iπ-helixtrans-94-39.8-167.8179.10000111.5H94H94-V98 WeakPolarHBondContact O-CB 3.46Å; H94-V98 PolarHBondContact O-N 3.42Å
99H88.6Confident86.7Confident63 Ų6371.5 Ų71.529%0.29237%0.372SS..Iπ-helixtrans-109.5-14-173.5-64.1-68000113.6C77 Q79 C80 H94 M95C77-H99 PolarHBondContact SG-NE2 3.26Å; Q79-H99 VanDerWaalsContact CB-CE1 3.47Å; Q79-H99 WeakPolarHBondContact CB-CE1 3.44Å; Q79-H99 VanDerWaalsContact OE1-CB 3.24Å; Q79-H99 VanDerWaalsContact OE1-CG 3.23Å; Q79-H99 PolarHBondContact OE1-ND1 3.34Å; Q79-H99 VanDerWaalsContact OE1-ND1 3.13Å; C80-H99 PolarHBondContact SG-NE2 3.12Å; H94-H99 AromaticContact CD2-CD2 3.72Å; H94-H99 AromaticContact CD2-NE2 3.95Å; H94-H99 AromaticContact CE1-NE2 3.93Å; H94-H99 AromaticContact NE2-CD2 3.24Å; H94-H99 PolarHBondContact NE2-CD2 3.39Å; H94-H99 AromaticContact NE2-NE2 3.04Å; H94-H99 PolarHBondContact NE2-NE2 3.16Å; M95-H99 CarbonylContact O-C 3.58Å; M95-H99 PolarHBondContact O-N 2.74Å; M95-H99 VanDerWaalsContact O-N 3.09Å; M95-H99 HydrophobicContact SD-CB 4.2Å; M95-H99 PolarHBondContact SD-CD2 3.17Å
100G83.2Confident86.4Confident36 Ų3669.5 Ų69.537%0.37137%0.369SS..SBendtrans-102.6172177.400000112M95 R102M95-G100 PolarHBondContact O-N 2.81Å; G100-R102 PolarHBondContact O-N 2.89Å
101E79.6Confident86.3Confident143 Ų14373.3 Ų73.367%0.66838%0.379SS*.  trans-60.8126.7169.9-66.6171.9173.800110.3K103E101-K103 HydrophobicContact CB-CG 4.09Å; E101-K103 PolarHBondContact O-N 2.74Å; E101-K103 WeakPolarHBondContact OE2-CE 3.37Å; E101-K103 IonicContact OE2-NZ 2.71Å; E101-K103 PolarHBondContact OE2-NZ 2.93Å; E101-K103 VanDerWaalsContact OE2-NZ 3.16Å
102R86Confident86.3Confident115 Ų11573 Ų7343%0.43438%0.378SS..  trans-71.769.8176.6-70.8172.152.9109.2-6.1111G100 H104 V105 D110 A112G100-R102 PolarHBondContact O-N 2.89Å; R102-H104 VanDerWaalsContact C-N 3.35Å; R102-H104 PolarHBondContact O-N 3.14Å; R102-V105 HydrophobicContact CB-CG2 3.72Å; R102-V105 VanDerWaalsContact O-CG2 3.23Å; R102-V105 WeakPolarHBondContact O-CG2 3.41Å; R102-D110 PolarHBondContact NH2-O 3.49Å; R102-D110 IonicContact NH2-OD1 3.05Å; R102-D110 PolarHBondContact NH2-OD1 2.84Å; R102-A112 HydrophobicContact CB-CB 4.25Å; R102-A112 HydrophobicContact CG-CB 4.02Å
103K88.9Confident86.3Confident150 Ų15070.6 Ų70.665%0.65236%0.357SS*.  trans-69.4-27.5-175.4-67.9-175.8-177.5-170.40114.5E101E101-K103 HydrophobicContact CB-CG 4.09Å; E101-K103 PolarHBondContact O-N 2.74Å; E101-K103 WeakPolarHBondContact OE2-CE 3.37Å; E101-K103 IonicContact OE2-NZ 2.71Å; E101-K103 PolarHBondContact OE2-NZ 2.93Å; E101-K103 VanDerWaalsContact OE2-NZ 3.16Å
104H89.7Confident86.3Confident56 Ų5671.2 Ų71.226%0.25936%0.36SS..SBendtrans-119.272.7-173.7-52.2-56.8000110.3R102 A112 F113 T115 A116 L119R102-H104 VanDerWaalsContact C-N 3.35Å; R102-H104 PolarHBondContact O-N 3.14Å; H104-A112 CarbonylContact O-C 3.38Å; H104-A112 WeakPolarHBondContact O-CA 3.47Å; H104-F113 HydrophobicContact CB-CB 4.31Å; H104-F113 WeakPolarHBondContact CB-O 3.14Å; H104-F113 PolarHBondContact O-N 3.33Å; H104-T115 WeakPolarHBondContact CD2-CA 3.43Å; H104-A116 PolarHBondContact CD2-N 3Å; H104-A116 VanDerWaalsContact CD2-N 3.26Å; H104-A116 PolarHBondContact CE1-N 3.17Å; H104-A116 PolarHBondContact NE2-N 3.27Å; H104-L119 HydrophobicContact CB-CB 4.05Å; H104-L119 HydrophobicContact CB-CD2 3.99Å
105V87.3Confident86.3Confident46 Ų4672.8 Ų72.828%0.27937%0.372SS..BIsolated β-bridgetrans-98140.8178.9174.40000109.8R102 D110 R111 A112 L119R102-V105 HydrophobicContact CB-CG2 3.72Å; R102-V105 VanDerWaalsContact O-CG2 3.23Å; R102-V105 WeakPolarHBondContact O-CG2 3.41Å; V105-D110 WeakPolarHBondContact CG1-OD1 3.48Å; V105-R111 CarbonylContact C-O 3.54Å; V105-R111 WeakPolarHBondContact CA-O 3.28Å; V105-A112 HydrophobicContact CG2-CB 4.04Å; V105-L119 WeakPolarHBondContact O-CD2 3.45Å
106C85.2Confident86.3Confident1 Ų173.4 Ų73.41%0.00738%0.383CS..  trans-76.7122.8171.3-166.10000110.5K108 C109 D110 R111 F113 L119 H122 H127C106-K108 VanDerWaalsContact C-N 3.27Å; C106-K108 PolarHBondContact O-N 3.48Å; C106-C109 PolarHBondContact O-N 3.07Å; C106-D110 VanDerWaalsContact O-CA 3.26Å; C106-D110 WeakPolarHBondContact O-CA 3.4Å; C106-D110 PolarHBondContact O-N 3.1Å; C106-R111 PolarHBondContact N-O 3.24Å; C106-F113 HydrophobicContact CB-CE2 4.4Å; C106-L119 HydrophobicContact CB-CD1 3.77Å; C106-H122 PolarHBondContact SG-NE2 3.18Å; C106-H122 VanDerWaalsContact SG-NE2 3.4Å; C106-H127 PolarHBondContact SG-NE2 3.23Å
107D82.4Confident86.4Confident136 Ų13675.5 Ų75.573%0.72740%0.395SS*.THydrogen-bonded Turntrans-56.4-34.2175.958.6-20.7000114
108K81.6Confident86.4Confident118 Ų11877.2 Ų77.251%0.51340%0.401SS..THydrogen-bonded Turntrans-93.5-16.3-176.3-56.8-170.5-167.2-175.90116.3C106 H127C106-K108 VanDerWaalsContact C-N 3.27Å; C106-K108 PolarHBondContact O-N 3.48Å; K108-H127 WeakPolarHBondContact CB-CE1 3.44Å; K108-H127 HydrophobicContact CD-CB 4.2Å
109C84Confident86.5Confident53 Ų5374.6 Ų74.636%0.35838%0.384SS..THydrogen-bonded Turntrans-140.39.6-178.371.50000114.6C106 R111 H122C106-C109 PolarHBondContact O-N 3.07Å; C109-R111 PolarHBondContact O-N 3.21Å; C109-H122 VanDerWaalsContact SG-CE1 3.56Å; C109-H122 PolarHBondContact SG-NE2 2.92Å
110D83.1Confident86.3Confident109 Ų10979.8 Ų79.858%0.58340%0.401SS*.  trans49.330-179.9-165.716.5000114.5R102 V105 C106R102-D110 PolarHBondContact NH2-O 3.49Å; R102-D110 IonicContact NH2-OD1 3.05Å; R102-D110 PolarHBondContact NH2-OD1 2.84Å; V105-D110 WeakPolarHBondContact CG1-OD1 3.48Å; C106-D110 VanDerWaalsContact O-CA 3.26Å; C106-D110 WeakPolarHBondContact O-CA 3.4Å; C106-D110 PolarHBondContact O-N 3.1Å
111R86Confident86.3Confident159 Ų15985.7 Ų85.760%0.641%0.412SS*.  trans-86.2123.9175.4-167.2167.9-175.4124.54.8110.4V105 C106 C109 F113V105-R111 CarbonylContact C-O 3.54Å; V105-R111 WeakPolarHBondContact CA-O 3.28Å; C106-R111 PolarHBondContact N-O 3.24Å; C109-R111 PolarHBondContact O-N 3.21Å; R111-F113 HydrophobicContact CB-CE2 3.86Å; R111-F113 HydrophobicContact CB-CZ 4.05Å; R111-F113 HydrophobicContact CG-CE1 4.45Å; R111-F113 HydrophobicContact CG-CE2 3.85Å; R111-F113 HydrophobicContact CG-CZ 3.67Å; R111-F113 VanDerWaalsContact O-CD2 3.27Å; R111-F113 WeakPolarHBondContact O-CD2 3.45Å; R111-F113 WeakPolarHBondContact O-CE2 3.42Å
112A89.7Confident86.6Confident10 Ų1080.3 Ų80.38%0.08339%0.387CS..BIsolated β-bridgetrans-86146.8174.700000113I97 R102 H104 V105I97-A112 HydrophobicContact CG2-CB 4.03Å; R102-A112 HydrophobicContact CB-CB 4.25Å; R102-A112 HydrophobicContact CG-CB 4.02Å; H104-A112 CarbonylContact O-C 3.38Å; H104-A112 WeakPolarHBondContact O-CA 3.47Å; V105-A112 HydrophobicContact CG2-CB 4.04Å
113F89.3Confident86.4Confident30 Ų3076.3 Ų76.313%0.13238%0.377CS..  trans-129.4151.1179.5-64-87.5000111.7H104 C106 R111 T115 K118 L119 H122H104-F113 HydrophobicContact CB-CB 4.31Å; H104-F113 WeakPolarHBondContact CB-O 3.14Å; H104-F113 PolarHBondContact O-N 3.33Å; C106-F113 HydrophobicContact CB-CE2 4.4Å; R111-F113 HydrophobicContact CB-CE2 3.86Å; R111-F113 HydrophobicContact CB-CZ 4.05Å; R111-F113 HydrophobicContact CG-CE1 4.45Å; R111-F113 HydrophobicContact CG-CE2 3.85Å; R111-F113 HydrophobicContact CG-CZ 3.67Å; R111-F113 VanDerWaalsContact O-CD2 3.27Å; R111-F113 WeakPolarHBondContact O-CD2 3.45Å; R111-F113 WeakPolarHBondContact O-CE2 3.42Å; F113-T115 PolarHBondContact O-N 2.73Å; F113-K118 HydrophobicContact CB-CB 4.12Å; F113-K118 HydrophobicContact CD1-CB 4.07Å; F113-K118 HydrophobicContact CG-CB 4.41Å; F113-L119 HydrophobicContact CB-CB 4.07Å; F113-L119 HydrophobicContact CD2-CB 3.83Å; F113-L119 HydrophobicContact CD2-CD1 3.63Å; F113-L119 HydrophobicContact CD2-CG 4.35Å; F113-L119 HydrophobicContact CE2-CD1 3.87Å; F113-L119 HydrophobicContact CG-CB 4.11Å; F113-H122 HydrophobicContact CD1-CB 4.42Å; F113-H122 HydrophobicContact CE1-CB 3.59Å; F113-H122 AromaticContact CE1-CG 3.91Å; F113-H122 HydrophobicContact CE2-CB 3.8Å; F113-H122 AromaticContact CE2-CD2 3.4Å; F113-H122 WeakPolarHBondContact CE2-CD2 3.19Å; F113-H122 AromaticContact CE2-CG 3.55Å; F113-H122 HydrophobicContact CZ-CB 3.24Å; F113-H122 AromaticContact CZ-CD2 3.43Å; F113-H122 VanDerWaalsContact CZ-CD2 3.43Å; F113-H122 WeakPolarHBondContact CZ-CD2 3.34Å; F113-H122 AromaticContact CZ-CE1 4Å; F113-H122 AromaticContact CZ-CG 3.07Å; F113-H122 AromaticContact CZ-ND1 3.49Å; F113-H122 WeakPolarHBondContact CZ-ND1 3.45Å; F113-H122 AromaticContact CZ-NE2 3.97Å
114P87.4Confident85.9Confident28 Ų2871.3 Ų71.318%0.18236%0.356CS..SBendtrans-69.9-16.4-179.4-2033.1000115A93 A96 I97 K118A93-P114 HydrophobicContact CB-CB 3.92Å; A93-P114 HydrophobicContact CB-CG 3.49Å; A93-P114 VanDerWaalsContact CB-CG 3.49Å; A96-P114 HydrophobicContact CB-CB 4.36Å; I97-P114 HydrophobicContact CD1-CG 3.72Å; I97-P114 HydrophobicContact CG1-CG 4.08Å; P114-K118 HydrophobicContact CG-CD 4.23Å
115T88.9Confident85.3Confident60 Ų6077.4 Ų77.437%0.36838%0.382SS..SBendtrans-154.5145.7-171.857.80000109.8H104 F113 S117 K118 L119H104-T115 WeakPolarHBondContact CD2-CA 3.43Å; F113-T115 PolarHBondContact O-N 2.73Å; T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 3.32Å; T115-K118 PolarHBondContact O-N 2.58Å; T115-K118 WeakPolarHBondContact OG1-CB 3.3Å; T115-K118 WeakPolarHBondContact OG1-CG 3.45Å; T115-K118 PolarHBondContact OG1-N 2.89Å; T115-L119 PolarHBondContact O-N 3.04Å
116A90.3Very high84.5Confident54 Ų5481 Ų8145%0.44640%0.396SS..Hα-helixtrans-51.8-39.9175.100000113.4H104 K118 L119 R120H104-A116 PolarHBondContact CD2-N 3Å; H104-A116 VanDerWaalsContact CD2-N 3.26Å; H104-A116 PolarHBondContact CE1-N 3.17Å; H104-A116 PolarHBondContact NE2-N 3.27Å; A116-K118 VanDerWaalsContact C-N 3.29Å; A116-K118 PolarHBondContact O-N 3.08Å; A116-L119 PolarHBondContact O-N 2.91Å; A116-R120 WeakPolarHBondContact O-CB 3.33Å; A116-R120 PolarHBondContact O-N 3.06Å
117S88.8Confident84.1Confident81 Ų8182.3 Ų82.357%0.56640%0.402SS*.Hα-helixtrans-64.8-31.4179.9-43.20000113.4T115 R121T115-S117 VanDerWaalsContact C-N 3.26Å; T115-S117 PolarHBondContact O-N 3.32Å; S117-R121 WeakPolarHBondContact O-CB 3.41Å; S117-R121 PolarHBondContact O-N 3.47Å; S117-R121 VanDerWaalsContact O-N 3.09Å
118K86.9Confident83.6Confident87 Ų8776.7 Ų76.738%0.37838%0.376SS..Hα-helixtrans-75.2-42.3175.4-78.9179.5176.3179.60111.1F113 P114 T115 A116 R121 H122F113-K118 HydrophobicContact CB-CB 4.12Å; F113-K118 HydrophobicContact CD1-CB 4.07Å; F113-K118 HydrophobicContact CG-CB 4.41Å; P114-K118 HydrophobicContact CG-CD 4.23Å; T115-K118 PolarHBondContact O-N 2.58Å; T115-K118 WeakPolarHBondContact OG1-CB 3.3Å; T115-K118 WeakPolarHBondContact OG1-CG 3.45Å; T115-K118 PolarHBondContact OG1-N 2.89Å; A116-K118 VanDerWaalsContact C-N 3.29Å; A116-K118 PolarHBondContact O-N 3.08Å; K118-R121 PolarHBondContact O-N 3.06Å; K118-H122 WeakPolarHBondContact O-CB 3.35Å; K118-H122 PolarHBondContact O-N 3.38Å
119L88.9Confident83.3Confident31 Ų3173.7 Ų73.716%0.16236%0.361CS..Hα-helixtrans-56.5-53.1171.4170.162.2000110.1H104 V105 C106 F113 T115 A116 R121 H122 S123H104-L119 HydrophobicContact CB-CB 4.05Å; H104-L119 HydrophobicContact CB-CD2 3.99Å; V105-L119 WeakPolarHBondContact O-CD2 3.45Å; C106-L119 HydrophobicContact CB-CD1 3.77Å; F113-L119 HydrophobicContact CB-CB 4.07Å; F113-L119 HydrophobicContact CD2-CB 3.83Å; F113-L119 HydrophobicContact CD2-CD1 3.63Å; F113-L119 HydrophobicContact CD2-CG 4.35Å; F113-L119 HydrophobicContact CE2-CD1 3.87Å; F113-L119 HydrophobicContact CG-CB 4.11Å; T115-L119 PolarHBondContact O-N 3.04Å; A116-L119 PolarHBondContact O-N 2.91Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.36Å; L119-H122 CarbonylContact O-C 3.6Å; L119-H122 WeakPolarHBondContact O-CA 3.48Å; L119-H122 WeakPolarHBondContact O-CB 3.22Å; L119-H122 PolarHBondContact O-N 3.16Å; L119-S123 PolarHBondContact O-N 3.19Å; L119-S123 PolarHBondContact O-OG 3.15Å; L119-S123 VanDerWaalsContact O-OG 3.13Å
120R85.7Confident83Confident173 Ų17373.9 Ų73.965%0.65336%0.361SS*.Hα-helixtrans-54.1-44.4177.3-177.9176.1174.3-104.6-0.8112.2A116 H122 S123 L124A116-R120 WeakPolarHBondContact O-CB 3.33Å; A116-R120 PolarHBondContact O-N 3.06Å; R120-H122 VanDerWaalsContact C-N 3.34Å; R120-S123 PolarHBondContact O-N 2.71Å; R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 PolarHBondContact O-N 2.74Å
121R83.3Confident82.8Confident160 Ų16068.8 Ų68.860%0.60433%0.334SS*.Hα-helixtrans-65.2-37.6177.1-167.3-174.6-53.4121.66.4112.2S117 K118 L119 K125S117-R121 WeakPolarHBondContact O-CB 3.41Å; S117-R121 PolarHBondContact O-N 3.47Å; S117-R121 VanDerWaalsContact O-N 3.09Å; K118-R121 PolarHBondContact O-N 3.06Å; L119-R121 VanDerWaalsContact C-N 3.28Å; L119-R121 PolarHBondContact O-N 3.36Å; R121-K125 WeakPolarHBondContact O-CB 3.44Å; R121-K125 PolarHBondContact O-N 2.86Å; R121-K125 VanDerWaalsContact O-N 3.11Å
122H84.6Confident82.2Confident30 Ų3069 Ų6914%0.13934%0.339CS..Hα-helixtrans-64.4-54.4173.5161.280000110.9C106 C109 F113 K118 L119 R120 L124 K125 H126C106-H122 PolarHBondContact SG-NE2 3.18Å; C106-H122 VanDerWaalsContact SG-NE2 3.4Å; C109-H122 VanDerWaalsContact SG-CE1 3.56Å; C109-H122 PolarHBondContact SG-NE2 2.92Å; F113-H122 HydrophobicContact CD1-CB 4.42Å; F113-H122 HydrophobicContact CE1-CB 3.59Å; F113-H122 AromaticContact CE1-CG 3.91Å; F113-H122 HydrophobicContact CE2-CB 3.8Å; F113-H122 AromaticContact CE2-CD2 3.4Å; F113-H122 WeakPolarHBondContact CE2-CD2 3.19Å; F113-H122 AromaticContact CE2-CG 3.55Å; F113-H122 HydrophobicContact CZ-CB 3.24Å; F113-H122 AromaticContact CZ-CD2 3.43Å; F113-H122 VanDerWaalsContact CZ-CD2 3.43Å; F113-H122 WeakPolarHBondContact CZ-CD2 3.34Å; F113-H122 AromaticContact CZ-CE1 4Å; F113-H122 AromaticContact CZ-CG 3.07Å; F113-H122 AromaticContact CZ-ND1 3.49Å; F113-H122 WeakPolarHBondContact CZ-ND1 3.45Å; F113-H122 AromaticContact CZ-NE2 3.97Å; K118-H122 WeakPolarHBondContact O-CB 3.35Å; K118-H122 PolarHBondContact O-N 3.38Å; L119-H122 CarbonylContact O-C 3.6Å; L119-H122 WeakPolarHBondContact O-CA 3.48Å; L119-H122 WeakPolarHBondContact O-CB 3.22Å; L119-H122 PolarHBondContact O-N 3.16Å; R120-H122 VanDerWaalsContact C-N 3.34Å; H122-L124 PolarHBondContact O-N 3.45Å; H122-K125 PolarHBondContact O-N 2.74Å; H122-H126 AromaticContact CE1-CD2 3.98Å; H122-H126 AromaticContact CE1-CG 3.82Å; H122-H126 WeakPolarHBondContact O-CB 3.42Å; H122-H126 PolarHBondContact O-N 3.35Å
123S82.2Confident81.6Confident31 Ų3171.8 Ų71.822%0.21735%0.353CS..Hα-helixtrans-56.8-39.2-179.6-51.90000111.2L119 R120 H127L119-S123 PolarHBondContact O-N 3.19Å; L119-S123 PolarHBondContact O-OG 3.15Å; L119-S123 VanDerWaalsContact O-OG 3.13Å; R120-S123 PolarHBondContact O-N 2.71Å; S123-H127 WeakPolarHBondContact O-CA 3.48Å; S123-H127 WeakPolarHBondContact O-CB 3.35Å; S123-H127 PolarHBondContact O-N 3.2Å
124L78.3Confident80.7Confident44 Ų4471.9 Ų71.923%0.2336%0.357CS..Hα-helixtrans-70.7-33.2179.3-162.560.8000114.1R120 H122 G128 Y129R120-L124 WeakPolarHBondContact O-CB 3.4Å; R120-L124 PolarHBondContact O-N 2.74Å; H122-L124 PolarHBondContact O-N 3.45Å; L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.3Å; L124-Y129 HydrophobicContact CD1-CD1 3.33Å; L124-Y129 HydrophobicContact CD1-CD2 3.92Å; L124-Y129 HydrophobicContact CD1-CE1 3.27Å; L124-Y129 HydrophobicContact CD1-CE2 3.83Å; L124-Y129 HydrophobicContact CD1-CG 3.65Å; L124-Y129 HydrophobicContact CD2-CD1 4.43Å; L124-Y129 HydrophobicContact CD2-CE1 3.5Å; L124-Y129 HydrophobicContact CD2-CE2 4.26Å; L124-Y129 WeakPolarHBondContact CD2-OH 3.17Å; L124-Y129 HydrophobicContact CG-CD1 4.06Å; L124-Y129 HydrophobicContact CG-CD2 4.2Å; L124-Y129 HydrophobicContact CG-CE1 3.5Å; L124-Y129 VanDerWaalsContact CG-CE1 3.5Å; L124-Y129 HydrophobicContact CG-CE2 3.61Å; L124-Y129 HydrophobicContact CG-CG 4.38Å; L124-Y129 WeakPolarHBondContact CG-OH 3.39Å
125K76.7Confident79.8Confident184 Ų18473.5 Ų73.580%0.837%0.369SS*.Hα-helixtrans-83.4-35.1177.7-169.6-177.6178.4-171.40111.9R121 H122R121-K125 WeakPolarHBondContact O-CB 3.44Å; R121-K125 PolarHBondContact O-N 2.86Å; R121-K125 VanDerWaalsContact O-N 3.11Å; H122-K125 PolarHBondContact O-N 2.74Å
126H70.9Confident78.7Confident121 Ų12176.3 Ų76.356%0.5638%0.377SS*.Hα-helixtrans-93.2-32.3-172.6-166.1-79.1000112.7H122H122-H126 AromaticContact CE1-CD2 3.98Å; H122-H126 AromaticContact CE1-CG 3.82Å; H122-H126 WeakPolarHBondContact O-CB 3.42Å; H122-H126 PolarHBondContact O-N 3.35Å
127H76.4Confident77Confident30 Ų3081 Ų8114%0.13939%0.39CS..SBendtrans-111.97.9179.6-49.5-52.3000112.9C106 K108 S123 H154C106-H127 PolarHBondContact SG-NE2 3.23Å; K108-H127 WeakPolarHBondContact CB-CE1 3.44Å; K108-H127 HydrophobicContact CD-CB 4.2Å; S123-H127 WeakPolarHBondContact O-CA 3.48Å; S123-H127 WeakPolarHBondContact O-CB 3.35Å; S123-H127 PolarHBondContact O-N 3.2Å; H127-H154 PolarHBondContact O-CE1 3.15Å; H127-H154 PolarHBondContact O-ND1 3.06Å
128G72.9Confident75.4Confident17 Ų1781.6 Ų81.618%0.17539%0.386CS..  trans64-178.9178.200000114.5L124 F155L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.3Å; G128-F155 CarbonylContact C-O 3.14Å; G128-F155 WeakPolarHBondContact CA-O 3.4Å
129Y75.6Confident73.7Confident55 Ų5582 Ų8222%0.21640%0.4CS..EExtended strand (participates in β ladder)trans-95.1149.3172.7-59-109.6000108.9L124 H154 F155 S157 F158 L161L124-Y129 HydrophobicContact CD1-CD1 3.33Å; L124-Y129 HydrophobicContact CD1-CD2 3.92Å; L124-Y129 HydrophobicContact CD1-CE1 3.27Å; L124-Y129 HydrophobicContact CD1-CE2 3.83Å; L124-Y129 HydrophobicContact CD1-CG 3.65Å; L124-Y129 HydrophobicContact CD2-CD1 4.43Å; L124-Y129 HydrophobicContact CD2-CE1 3.5Å; L124-Y129 HydrophobicContact CD2-CE2 4.26Å; L124-Y129 WeakPolarHBondContact CD2-OH 3.17Å; L124-Y129 HydrophobicContact CG-CD1 4.06Å; L124-Y129 HydrophobicContact CG-CD2 4.2Å; L124-Y129 HydrophobicContact CG-CE1 3.5Å; L124-Y129 VanDerWaalsContact CG-CE1 3.5Å; L124-Y129 HydrophobicContact CG-CE2 3.61Å; L124-Y129 HydrophobicContact CG-CG 4.38Å; L124-Y129 WeakPolarHBondContact CG-OH 3.39Å; Y129-H154 CarbonylContact O-C 3.55Å; Y129-H154 WeakPolarHBondContact O-CA 3.42Å; Y129-F155 WeakPolarHBondContact CD2-O 3.47Å; Y129-F155 PolarHBondContact N-O 2.98Å; Y129-F155 WeakPolarHBondContact O-CD2 3.37Å; Y129-F155 PolarHBondContact O-N 3.22Å; Y129-S157 VanDerWaalsContact CD2-C 3.42Å; Y129-S157 VanDerWaalsContact CE2-C 3.46Å; Y129-F158 HydrophobicContact CD1-CB 4.21Å; Y129-F158 AromaticContact CD1-CD2 3.78Å; Y129-F158 HydrophobicContact CD1-CD2 3.78Å; Y129-F158 HydrophobicContact CD1-CG 4.5Å; Y129-F158 HydrophobicContact CE1-CB 3.53Å; Y129-F158 AromaticContact CE1-CD2 3.54Å; Y129-F158 HydrophobicContact CE1-CD2 3.54Å; Y129-F158 AromaticContact CE1-CG 3.96Å; Y129-F158 HydrophobicContact CE1-CG 3.96Å; Y129-F158 HydrophobicContact CE2-CB 4.22Å; Y129-L161 HydrophobicContact CD1-CD2 4.16Å; Y129-L161 HydrophobicContact CG-CD2 4.33Å
130V76.1Confident71.6Confident57 Ų5788.7 Ų88.735%0.34543%0.43SS..EExtended strand (participates in β ladder)trans-120.1141.9175.9-175.50000109.1P152V130-P152 HydrophobicContact CG1-CB 4.46Å
131C79.1Confident69.3Low3 Ų387 Ų872%0.0243%0.434CS..  trans-83.7109.8173.9-176.40000110.3L133 C134 S135 F155 L161 H164 H169C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 3.02Å; C131-C134 HydrophobicContact CB-CB 4.12Å; C131-C134 PolarHBondContact O-N 3.08Å; C131-S135 PolarHBondContact O-N 3.14Å; C131-S135 PolarHBondContact O-OG 3.34Å; C131-F155 HydrophobicContact CB-CE2 3.96Å; C131-L161 HydrophobicContact CB-CD1 3.71Å; C131-H164 WeakPolarHBondContact CB-NE2 3.48Å; C131-H164 PolarHBondContact SG-NE2 3.32Å; C131-H164 VanDerWaalsContact SG-NE2 3.36Å; C131-H169 VanDerWaalsContact SG-CD2 3.51Å; C131-H169 PolarHBondContact SG-NE2 3.32Å
132K74.1Confident67.4Low163 Ų16384.8 Ų84.871%0.70944%0.44SS*.Hα-helixtrans-61-36.4178.7-67.3-171.2174.5-166.20113.1C134 S135 E136K132-C134 PolarHBondContact O-N 2.87Å; K132-S135 WeakPolarHBondContact O-CB 3.25Å; K132-S135 PolarHBondContact O-N 3.08Å; K132-S135 VanDerWaalsContact O-N 3.11Å; K132-E136 WeakPolarHBondContact O-CG 3.15Å; K132-E136 PolarHBondContact O-N 2.83Å
133L76.3Confident65.5Low69 Ų6991.4 Ų91.436%0.36147%0.469SS..Hα-helixtrans-64.3-38.8-179.9-60.6173.6000111.9C131 E136 Q137 I165 H169C131-L133 VanDerWaalsContact C-N 3.28Å; C131-L133 PolarHBondContact O-N 3.02Å; L133-E136 PolarHBondContact O-N 3.06Å; L133-Q137 WeakPolarHBondContact O-CG 3.41Å; L133-Q137 PolarHBondContact O-N 3.38Å; L133-Q137 VanDerWaalsContact O-N 3.16Å; L133-I165 HydrophobicContact CD1-CG2 4.38Å; L133-H169 WeakPolarHBondContact CB-NE2 3.47Å; L133-H169 HydrophobicContact CD1-CB 3.58Å
134C70.8Confident63.7Low32 Ų3297.6 Ų97.622%0.21650%0.5CS..Hα-helixtrans-65.8-39.8171.5-73.40000112.2C131 K132 E136 Q137 I138 H164 H169C131-C134 HydrophobicContact CB-CB 4.12Å; C131-C134 PolarHBondContact O-N 3.08Å; K132-C134 PolarHBondContact O-N 2.87Å; C134-E136 VanDerWaalsContact C-N 3.26Å; C134-E136 PolarHBondContact O-N 3.39Å; C134-Q137 PolarHBondContact O-N 2.7Å; C134-I138 WeakPolarHBondContact O-CD1 3.35Å; C134-I138 WeakPolarHBondContact O-CG1 3.46Å; C134-H164 PolarHBondContact SG-CE1 3.35Å; C134-H164 PolarHBondContact SG-NE2 3.04Å; C134-H169 PolarHBondContact N-NE2 3.04Å; C134-H169 PolarHBondContact SG-NE2 3.17Å
135S68.8Low62Low62 Ų6299.8 Ų99.843%0.43453%0.532SS..Hα-helixtrans-65.1-30.9178.6-58.60000112.6C131 K132C131-S135 PolarHBondContact O-N 3.14Å; C131-S135 PolarHBondContact O-OG 3.34Å; K132-S135 WeakPolarHBondContact O-CB 3.25Å; K132-S135 PolarHBondContact O-N 3.08Å; K132-S135 VanDerWaalsContact O-N 3.11Å
136E65.4Low60.2Low118 Ų11899.4 Ų99.455%0.55153%0.534SS*.Hα-helixtrans-78.7-31.8177.1-71.4162-170.700112.6K132 L133 C134 I138 S139K132-E136 WeakPolarHBondContact O-CG 3.15Å; K132-E136 PolarHBondContact O-N 2.83Å; L133-E136 PolarHBondContact O-N 3.06Å; C134-E136 VanDerWaalsContact C-N 3.26Å; C134-E136 PolarHBondContact O-N 3.39Å; E136-I138 PolarHBondContact O-N 3.2Å; E136-S139 PolarHBondContact O-OG 3.2Å
137Q55.3Low58.7Low153 Ų15399.6 Ų99.672%0.71555%0.549SS*.Hα-helixtrans-71.3-12179.5-65.2-115.9-53.500114.2L133 C134L133-Q137 WeakPolarHBondContact O-CG 3.41Å; L133-Q137 PolarHBondContact O-N 3.38Å; L133-Q137 VanDerWaalsContact O-N 3.16Å; C134-Q137 PolarHBondContact O-N 2.7Å
138I54.2Low57.1Low93 Ų93104.3 Ų104.348%0.47758%0.579SS.*THydrogen-bonded Turntrans-81.3-14.6-177.2-67.6163000111.9C134 E136 P150C134-I138 WeakPolarHBondContact O-CD1 3.35Å; C134-I138 WeakPolarHBondContact O-CG1 3.46Å; E136-I138 PolarHBondContact O-N 3.2Å; I138-P150 HydrophobicContact CB-CG 4.46Å; I138-P150 HydrophobicContact CD1-CB 3.84Å; I138-P150 HydrophobicContact CD1-CG 3.76Å; I138-P150 HydrophobicContact CG1-CG 3.97Å; I138-P150 HydrophobicContact CG2-CG 3.61Å
139S51.9Low55.9Low97 Ų97107.5 Ų107.568%0.67860%0.604SS**THydrogen-bonded Turntrans-92.38.5-171.864.60000116.6E136E136-S139 PolarHBondContact O-OG 3.2Å
140E44.8Very low54.6Low171 Ų171108.1 Ų108.180%0.79962%0.615SS**  trans-121.927.1-170.8-67.9-168.9169.700116.4
141N38.5Very low53.3Low136 Ų136112.5 Ų112.573%0.72764%0.635SS**  trans-123.392.7172-160.13.4000113.9K143N141-K143 PolarHBondContact O-N 2.88Å
142P42.8Very low52.1Low114 Ų114115.7 Ų115.774%0.7466%0.655SS**  trans-92.580.916934.8-25.4000108.6
143K45.4Very low51.6Low170 Ų170112.9 Ų112.974%0.73965%0.647SS**SBendtrans-172117.9163-97.6145.9-156.7-166.70108.4N141N141-K143 PolarHBondContact O-N 2.88Å
144N42.7Very low51.4Low161 Ų161113.7 Ų113.786%0.86165%0.649SS**SBendtrans101.798.2-178.3-51-11.1000112.8E146N144-E146 VanDerWaalsContact C-N 3.32Å; N144-E146 PolarHBondContact O-N 2.94Å
145G43.5Very low51.3Low89 Ų89113.3 Ų113.392%0.91864%0.643SS**  trans-7860.4-170.900000115.5
146E39.8Very low51.3Low177 Ų177118.5 Ų118.583%0.82766%0.661SS**  trans-127.8102.1162.4-81.9-178.9143.600109.3N144 V148N144-E146 VanDerWaalsContact C-N 3.32Å; N144-E146 PolarHBondContact O-N 2.94Å; E146-V148 PolarHBondContact O-N 2.9Å; E146-V148 VanDerWaalsContact O-N 3.08Å
147S37.7Very low51.6Low125 Ų125114.8 Ų114.887%0.87465%0.648SS**  trans-83.178.2-176.664.20000111.4
148V43.6Very low52.5Low128 Ų128112.3 Ų112.378%0.77664%0.635SS**  trans-90.2101.5163.1-174.60000107.5E146 P150E146-V148 PolarHBondContact O-N 2.9Å; E146-V148 VanDerWaalsContact O-N 3.08Å; V148-P150 WeakPolarHBondContact O-CD 3.45Å
149A47.2Very low53.5Low85 Ų85109.7 Ų109.770%0.70263%0.627SS**PPolyproline II helixtrans-57.2121.3173.700000109.1I151A149-I151 PolarHBondContact O-N 3.07Å
150P48.5Very low54.7Low68 Ų68109.9 Ų109.944%0.44262%0.616SS.*PPolyproline II helixtrans-67.4129-176.8-1731.1000109.7I138 V148 P152I138-P150 HydrophobicContact CB-CG 4.46Å; I138-P150 HydrophobicContact CD1-CB 3.84Å; I138-P150 HydrophobicContact CD1-CG 3.76Å; I138-P150 HydrophobicContact CG1-CG 3.97Å; I138-P150 HydrophobicContact CG2-CG 3.61Å; V148-P150 WeakPolarHBondContact O-CD 3.45Å; P150-P152 WeakPolarHBondContact O-CD 3.47Å
151I49Very low56.4Low149 Ų149102.5 Ų102.576%0.76458%0.582SS**PPolyproline II helixtrans-57.8124.4176.9-60.6165.8000108.3A149 I153A149-I151 PolarHBondContact O-N 3.07Å; I151-I153 PolarHBondContact O-N 3.02Å; I151-I153 VanDerWaalsContact O-N 3.16Å
152P54.8Low58.2Low70 Ų70103 Ų10346%0.45557%0.573SS.*PPolyproline II helixtrans-56.7122.6177.9-23.732.2000110.8V130 P150 H154V130-P152 HydrophobicContact CG1-CB 4.46Å; P150-P152 WeakPolarHBondContact O-CD 3.47Å; P152-H154 PolarHBondContact O-CD2 3.38Å; P152-H154 PolarHBondContact O-N 3.21Å
153I63.6Low59.9Low104 Ų104104.6 Ų104.653%0.53357%0.565SS.*  trans-70.5108.8176.7-54.4174.5000108.1I151 F155I151-I153 PolarHBondContact O-N 3.02Å; I151-I153 VanDerWaalsContact O-N 3.16Å; I153-F155 HydrophobicContact CB-CE2 4.47Å; I153-F155 HydrophobicContact CB-CZ 4.34Å; I153-F155 HydrophobicContact CG2-CE1 4.06Å; I153-F155 HydrophobicContact CG2-CE2 4.16Å; I153-F155 HydrophobicContact CG2-CZ 3.72Å; I153-F155 WeakPolarHBondContact O-CE2 3.41Å
154H70.4Confident61.6Low86 Ų8698.1 Ų98.140%0.39854%0.537SS..EExtended strand (participates in β ladder)trans-86.6130.6175.3-71.2-72.3000110.4H127 Y129 P152H127-H154 PolarHBondContact O-CE1 3.15Å; H127-H154 PolarHBondContact O-ND1 3.06Å; Y129-H154 CarbonylContact O-C 3.55Å; Y129-H154 WeakPolarHBondContact O-CA 3.42Å; P152-H154 PolarHBondContact O-CD2 3.38Å; P152-H154 PolarHBondContact O-N 3.21Å
155F70.2Confident63.4Low23 Ų2392.9 Ų92.910%0.10151%0.509CS..EExtended strand (participates in β ladder)trans-103130.2174.4-57.8-83.3000110.1G128 Y129 C131 I153 S157 F160 L161 H164G128-F155 CarbonylContact C-O 3.14Å; G128-F155 WeakPolarHBondContact CA-O 3.4Å; Y129-F155 WeakPolarHBondContact CD2-O 3.47Å; Y129-F155 PolarHBondContact N-O 2.98Å; Y129-F155 WeakPolarHBondContact O-CD2 3.37Å; Y129-F155 PolarHBondContact O-N 3.22Å; C131-F155 HydrophobicContact CB-CE2 3.96Å; I153-F155 HydrophobicContact CB-CE2 4.47Å; I153-F155 HydrophobicContact CB-CZ 4.34Å; I153-F155 HydrophobicContact CG2-CE1 4.06Å; I153-F155 HydrophobicContact CG2-CE2 4.16Å; I153-F155 HydrophobicContact CG2-CZ 3.72Å; I153-F155 WeakPolarHBondContact O-CE2 3.41Å; F155-S157 PolarHBondContact O-N 3.23Å; F155-F160 HydrophobicContact CB-CB 4.17Å; F155-F160 HydrophobicContact CD1-CB 4.09Å; F155-L161 HydrophobicContact CB-CB 4.05Å; F155-L161 HydrophobicContact CD2-CB 3.97Å; F155-L161 HydrophobicContact CD2-CD1 3.6Å; F155-L161 HydrophobicContact CD2-CG 4.36Å; F155-L161 HydrophobicContact CE2-CD1 3.69Å; F155-L161 HydrophobicContact CG-CB 3.99Å; F155-L161 HydrophobicContact CG-CD1 4.42Å; F155-H164 HydrophobicContact CD1-CB 4.25Å; F155-H164 HydrophobicContact CE1-CB 3.39Å; F155-H164 AromaticContact CE1-CG 3.57Å; F155-H164 AromaticContact CE1-ND1 3.96Å; F155-H164 HydrophobicContact CE2-CB 4.44Å; F155-H164 AromaticContact CE2-CD2 3.88Å; F155-H164 HydrophobicContact CZ-CB 3.53Å; F155-H164 AromaticContact CZ-CD2 3.41Å; F155-H164 VanDerWaalsContact CZ-CD2 3.41Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.41Å; F155-H164 AromaticContact CZ-CE1 3.9Å; F155-H164 AromaticContact CZ-CG 3.17Å; F155-H164 AromaticContact CZ-ND1 3.51Å; F155-H164 AromaticContact CZ-NE2 3.85Å
156E68.1Low64.8Low172 Ų17292 Ų9280%0.80449%0.493SS*.SBendtrans-66.8-19.7-179-62.2174177.300113.5
157S71.3Confident66.6Low39 Ų3992 Ų9227%0.27349%0.49SS..SBendtrans-148.4158.3177.683.40000112.9Y129 F155 A159 F160 L161Y129-S157 VanDerWaalsContact CD2-C 3.42Å; Y129-S157 VanDerWaalsContact CE2-C 3.46Å; F155-S157 PolarHBondContact O-N 3.23Å; S157-A159 PolarHBondContact O-N 2.94Å; S157-A159 PolarHBondContact OG-N 2.84Å; S157-F160 PolarHBondContact O-N 3.37Å; S157-F160 VanDerWaalsContact O-N 3.12Å; S157-F160 WeakPolarHBondContact OG-CD2 3.36Å; S157-F160 PolarHBondContact OG-N 2.77Å; S157-L161 PolarHBondContact O-N 3.01Å; S157-L161 VanDerWaalsContact O-N 3.08Å
158F75.2Confident68.5Low102 Ų10288.6 Ų88.645%0.44747%0.469SS..Hα-helixtrans-60.3-27.8172.9-170.5-115.9000112.4Y129 R162Y129-F158 HydrophobicContact CD1-CB 4.21Å; Y129-F158 AromaticContact CD1-CD2 3.78Å; Y129-F158 HydrophobicContact CD1-CD2 3.78Å; Y129-F158 HydrophobicContact CD1-CG 4.5Å; Y129-F158 HydrophobicContact CE1-CB 3.53Å; Y129-F158 AromaticContact CE1-CD2 3.54Å; Y129-F158 HydrophobicContact CE1-CD2 3.54Å; Y129-F158 AromaticContact CE1-CG 3.96Å; Y129-F158 HydrophobicContact CE1-CG 3.96Å; Y129-F158 HydrophobicContact CE2-CB 4.22Å; F158-R162 HydrophobicContact CD1-CG 4.22Å; F158-R162 VanDerWaalsContact CD1-NE 3.34Å; F158-R162 VanDerWaalsContact CE1-CD 3.42Å; F158-R162 HydrophobicContact CE1-CG 3.84Å; F158-R162 HydrophobicContact CE2-CG 4.4Å; F158-R162 HydrophobicContact CZ-CG 3.93Å; F158-R162 WeakPolarHBondContact O-CB 3.47Å; F158-R162 WeakPolarHBondContact O-CG 3.16Å; F158-R162 PolarHBondContact O-N 3.44Å
159A75.5Confident70.1Confident38 Ų3884 Ų8431%0.31444%0.439SS..Hα-helixtrans-68.5-41.717700000111.1S157 R162 R163S157-A159 PolarHBondContact O-N 2.94Å; S157-A159 PolarHBondContact OG-N 2.84Å; A159-R162 PolarHBondContact O-N 3.11Å; A159-R163 WeakPolarHBondContact O-CG 3.46Å; A159-R163 PolarHBondContact O-N 3.05Å
160F77.2Confident70.9Confident101 Ų10184.2 Ų84.244%0.44343%0.434SS..Hα-helixtrans-66.2-46175-81.7-71.4000111.9F155 S157 R162 R163 H164F155-F160 HydrophobicContact CB-CB 4.17Å; F155-F160 HydrophobicContact CD1-CB 4.09Å; S157-F160 PolarHBondContact O-N 3.37Å; S157-F160 VanDerWaalsContact O-N 3.12Å; S157-F160 WeakPolarHBondContact OG-CD2 3.36Å; S157-F160 PolarHBondContact OG-N 2.77Å; F160-R162 VanDerWaalsContact C-N 3.3Å; F160-R162 PolarHBondContact O-N 3.18Å; F160-R163 PolarHBondContact O-N 3.12Å; F160-H164 WeakPolarHBondContact O-CB 3.4Å; F160-H164 PolarHBondContact O-N 3.36Å
161L79.7Confident71.6Confident15 Ų1588.8 Ų88.88%0.07945%0.447CS..Hα-helixtrans-56.3-44.9173.7173.963000111.4Y129 C131 F155 S157 R163 H164 I165Y129-L161 HydrophobicContact CD1-CD2 4.16Å; Y129-L161 HydrophobicContact CG-CD2 4.33Å; C131-L161 HydrophobicContact CB-CD1 3.71Å; F155-L161 HydrophobicContact CB-CB 4.05Å; F155-L161 HydrophobicContact CD2-CB 3.97Å; F155-L161 HydrophobicContact CD2-CD1 3.6Å; F155-L161 HydrophobicContact CD2-CG 4.36Å; F155-L161 HydrophobicContact CE2-CD1 3.69Å; F155-L161 HydrophobicContact CG-CB 3.99Å; F155-L161 HydrophobicContact CG-CD1 4.42Å; S157-L161 PolarHBondContact O-N 3.01Å; S157-L161 VanDerWaalsContact O-N 3.08Å; L161-R163 PolarHBondContact O-N 2.8Å; L161-H164 PolarHBondContact O-N 3.46Å; L161-I165 HydrophobicContact CD1-CD1 3.84Å; L161-I165 HydrophobicContact CD1-CG1 4.01Å; L161-I165 HydrophobicContact CD2-CD1 4.38Å; L161-I165 HydrophobicContact CG-CD1 3.83Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.29Å
162R75.3Confident72.1Confident146 Ų14687.2 Ų87.255%0.55144%0.444SS*.Hα-helixtrans-62.7-42.5177.9-83-167.8-69.9155.4-3.7113F158 A159 F160 H164 I165 A166F158-R162 HydrophobicContact CD1-CG 4.22Å; F158-R162 VanDerWaalsContact CD1-NE 3.34Å; F158-R162 VanDerWaalsContact CE1-CD 3.42Å; F158-R162 HydrophobicContact CE1-CG 3.84Å; F158-R162 HydrophobicContact CE2-CG 4.4Å; F158-R162 HydrophobicContact CZ-CG 3.93Å; F158-R162 WeakPolarHBondContact O-CB 3.47Å; F158-R162 WeakPolarHBondContact O-CG 3.16Å; F158-R162 PolarHBondContact O-N 3.44Å; A159-R162 PolarHBondContact O-N 3.11Å; F160-R162 VanDerWaalsContact C-N 3.3Å; F160-R162 PolarHBondContact O-N 3.18Å; R162-H164 VanDerWaalsContact C-N 3.33Å; R162-I165 PolarHBondContact O-N 2.76Å; R162-A166 WeakPolarHBondContact O-CB 3.35Å; R162-A166 PolarHBondContact O-N 3.39Å
163R79.6Confident72.5Confident148 Ų14886.2 Ų86.256%0.55844%0.438SS*.Hα-helixtrans-63.5-41.4175.5-73.2-178.1-161.2154.91.3111.2A159 F160 L161 A166 K167A159-R163 WeakPolarHBondContact O-CG 3.46Å; A159-R163 PolarHBondContact O-N 3.05Å; F160-R163 PolarHBondContact O-N 3.12Å; L161-R163 PolarHBondContact O-N 2.8Å; R163-A166 PolarHBondContact O-N 3.49Å; R163-K167 WeakPolarHBondContact O-CB 3.35Å; R163-K167 WeakPolarHBondContact O-CG 3.45Å; R163-K167 PolarHBondContact O-N 3.23Å
164H81.2Confident72.8Confident34 Ų3483.8 Ų83.816%0.15743%0.425CS..Hα-helixtrans-61.1-51.4175.3163.885.2000111C131 C134 F155 F160 L161 R162 A166 K167 A168 H169C131-H164 WeakPolarHBondContact CB-NE2 3.48Å; C131-H164 PolarHBondContact SG-NE2 3.32Å; C131-H164 VanDerWaalsContact SG-NE2 3.36Å; C134-H164 PolarHBondContact SG-CE1 3.35Å; C134-H164 PolarHBondContact SG-NE2 3.04Å; F155-H164 HydrophobicContact CD1-CB 4.25Å; F155-H164 HydrophobicContact CE1-CB 3.39Å; F155-H164 AromaticContact CE1-CG 3.57Å; F155-H164 AromaticContact CE1-ND1 3.96Å; F155-H164 HydrophobicContact CE2-CB 4.44Å; F155-H164 AromaticContact CE2-CD2 3.88Å; F155-H164 HydrophobicContact CZ-CB 3.53Å; F155-H164 AromaticContact CZ-CD2 3.41Å; F155-H164 VanDerWaalsContact CZ-CD2 3.41Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.41Å; F155-H164 AromaticContact CZ-CE1 3.9Å; F155-H164 AromaticContact CZ-CG 3.17Å; F155-H164 AromaticContact CZ-ND1 3.51Å; F155-H164 AromaticContact CZ-NE2 3.85Å; F160-H164 WeakPolarHBondContact O-CB 3.4Å; F160-H164 PolarHBondContact O-N 3.36Å; L161-H164 PolarHBondContact O-N 3.46Å; R162-H164 VanDerWaalsContact C-N 3.33Å; H164-A166 VanDerWaalsContact C-N 3.27Å; H164-A166 PolarHBondContact O-N 3.04Å; H164-K167 PolarHBondContact O-N 2.64Å; H164-K167 VanDerWaalsContact O-N 3.09Å; H164-A168 WeakPolarHBondContact O-CB 3.42Å; H164-A168 PolarHBondContact O-N 2.95Å; H164-H169 AromaticContact NE2-CD2 3.98Å; H164-H169 AromaticContact NE2-NE2 3.7Å
165I79.5Confident73.1Confident52 Ų5284.3 Ų84.327%0.26743%0.428SS..Hα-helixtrans-56.8-43.7176.8-66.6167.4000110.5L133 L161 R162 K167 H169L133-I165 HydrophobicContact CD1-CG2 4.38Å; L161-I165 HydrophobicContact CD1-CD1 3.84Å; L161-I165 HydrophobicContact CD1-CG1 4.01Å; L161-I165 HydrophobicContact CD2-CD1 4.38Å; L161-I165 HydrophobicContact CG-CD1 3.83Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.29Å; R162-I165 PolarHBondContact O-N 2.76Å; I165-K167 VanDerWaalsContact C-N 3.31Å; I165-K167 PolarHBondContact O-N 3.44Å; I165-H169 HydrophobicContact CG2-CB 4.46Å; I165-H169 CarbonylContact O-C 3.43Å; I165-H169 VanDerWaalsContact O-CA 3.28Å; I165-H169 WeakPolarHBondContact O-CA 3.12Å; I165-H169 WeakPolarHBondContact O-CB 3.4Å; I165-H169 PolarHBondContact O-N 3.47Å
166A73.8Confident73.3Confident70 Ų7083.2 Ų83.258%0.57942%0.423SS*.Hα-helixtrans-64.6-31179.700000114.1R162 R163 H164R162-A166 WeakPolarHBondContact O-CB 3.35Å; R162-A166 PolarHBondContact O-N 3.39Å; R163-A166 PolarHBondContact O-N 3.49Å; H164-A166 VanDerWaalsContact C-N 3.27Å; H164-A166 PolarHBondContact O-N 3.04Å
167K76.9Confident73.8Confident177 Ų17779.9 Ų79.977%0.7742%0.416SS*.Hα-helixtrans-91.2-47.7-179-72.8-175.7176.3-169.30113.3R163 H164 I165R163-K167 WeakPolarHBondContact O-CB 3.35Å; R163-K167 WeakPolarHBondContact O-CG 3.45Å; R163-K167 PolarHBondContact O-N 3.23Å; H164-K167 PolarHBondContact O-N 2.64Å; H164-K167 VanDerWaalsContact O-N 3.09Å; I165-K167 VanDerWaalsContact C-N 3.31Å; I165-K167 PolarHBondContact O-N 3.44Å
168A77.1Confident73.9Confident54 Ų5482.6 Ų82.645%0.44643%0.432SS..Hα-helixtrans-86.9-26.9-17400000112.8H164 P170H164-A168 WeakPolarHBondContact O-CB 3.42Å; H164-A168 PolarHBondContact O-N 2.95Å; A168-P170 WeakPolarHBondContact O-CD 3.46Å
169H78.2Confident73.9Confident31 Ų3179.1 Ų79.114%0.14442%0.42CS..SBendtrans-126.462.1176.2-52.1-66000110C131 L133 C134 H164 I165 K171C131-H169 VanDerWaalsContact SG-CD2 3.51Å; C131-H169 PolarHBondContact SG-NE2 3.32Å; L133-H169 WeakPolarHBondContact CB-NE2 3.47Å; L133-H169 HydrophobicContact CD1-CB 3.58Å; C134-H169 PolarHBondContact N-NE2 3.04Å; C134-H169 PolarHBondContact SG-NE2 3.17Å; H164-H169 AromaticContact NE2-CD2 3.98Å; H164-H169 AromaticContact NE2-NE2 3.7Å; I165-H169 HydrophobicContact CG2-CB 4.46Å; I165-H169 CarbonylContact O-C 3.43Å; I165-H169 VanDerWaalsContact O-CA 3.28Å; I165-H169 WeakPolarHBondContact O-CA 3.12Å; I165-H169 WeakPolarHBondContact O-CB 3.4Å; I165-H169 PolarHBondContact O-N 3.47Å; H169-K171 PolarHBondContact O-N 3.14Å
170P63.1Low73.8Confident90 Ų9082.6 Ų82.658%0.58443%0.433SS*.  trans-58.9109.9176.726.8-32.5000107.5A168 T172A168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-T172 PolarHBondContact O-N 3.42Å
171K64.3Low73.3Confident164 Ų16478.7 Ų78.771%0.71342%0.416SS*.PPolyproline II helixtrans-59.2119.1167.9-67.5-173.7178.9-1720105.5H169 P173H169-K171 PolarHBondContact O-N 3.14Å; K171-P173 WeakPolarHBondContact O-CD 3.28Å
172T59.5Low73Confident115 Ų11586.1 Ų86.171%0.70644%0.443SS*.PPolyproline II helixtrans-49.4121.7170.743.60000106.5P170 L174P170-T172 PolarHBondContact O-N 3.42Å; T172-L174 PolarHBondContact O-N 3.08Å
173P63.5Low72.8Confident50 Ų5080.8 Ų80.833%0.32542%0.424SS..PPolyproline II helixtrans-57.3120.7178.9-15.626000106K171 Q175 R182K171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-Q175 WeakPolarHBondContact O-CG 3.33Å; P173-Q175 PolarHBondContact O-N 3.42Å; P173-Q175 VanDerWaalsContact O-N 3.07Å; P173-R182 HydrophobicContact CB-CB 4.35Å; P173-R182 HydrophobicContact CB-CG 4.21Å
174L69.6Low72.2Confident52 Ų5279.8 Ų79.827%0.27244%0.435SS..EExtended strand (participates in β ladder)trans-68.1112.7176.6-66.4171.8000105.8T172 R182 F183 P186 L189T172-L174 PolarHBondContact O-N 3.08Å; L174-R182 CarbonylContact O-C 3.45Å; L174-R182 WeakPolarHBondContact O-CA 3.43Å; L174-F183 HydrophobicContact CB-CB 4.18Å; L174-F183 PolarHBondContact N-O 3.39Å; L174-F183 PolarHBondContact O-N 3.13Å; L174-P186 HydrophobicContact CD1-CB 4.12Å; L174-P186 HydrophobicContact CD1-CG 3.72Å; L174-P186 VanDerWaalsContact CD1-N 3.29Å; L174-L189 HydrophobicContact CB-CB 4.36Å; L174-L189 HydrophobicContact CB-CD2 3.9Å
175Q76.4Confident71.7Confident98 Ų9886.1 Ų86.146%0.45846%0.457SS..EExtended strand (participates in β ladder)trans-101.9135.4-178.4-63.6-173.612.500108.7P173 M181 R182P173-Q175 WeakPolarHBondContact O-CG 3.33Å; P173-Q175 PolarHBondContact O-N 3.42Å; P173-Q175 VanDerWaalsContact O-N 3.07Å; Q175-M181 WeakPolarHBondContact CA-O 3.36Å; Q175-R182 HydrophobicContact CG-CG 4.1Å
176C75.1Confident71.5Confident0 Ų088.1 Ų88.10%047%0.473CS..  trans-66.8126.4168.11770000109.6T178 C179 N180 M181 F183 L189 H192 H196C176-T178 PolarHBondContact O-N 3.49Å; C176-T178 PolarHBondContact SG-N 2.76Å; C176-T178 VanDerWaalsContact SG-N 3.44Å; C176-C179 PolarHBondContact O-N 2.93Å; C176-N180 WeakPolarHBondContact O-CA 3.46Å; C176-N180 PolarHBondContact O-N 3.48Å; C176-M181 HydrophobicContact CB-CB 4.42Å; C176-M181 PolarHBondContact N-O 3.47Å; C176-F183 HydrophobicContact CB-CE2 4.12Å; C176-L189 HydrophobicContact CB-CD1 4.01Å; C176-H192 VanDerWaalsContact CB-CD2 3.49Å; C176-H192 WeakPolarHBondContact CB-CD2 3.49Å; C176-H192 WeakPolarHBondContact CB-NE2 3.41Å; C176-H192 PolarHBondContact SG-NE2 3.24Å; C176-H192 VanDerWaalsContact SG-NE2 3.36Å; C176-H196 VanDerWaalsContact SG-CD2 3.52Å; C176-H196 PolarHBondContact SG-NE2 2.75Å
177P78Confident71.5Confident101 Ų10189 Ų8966%0.65647%0.471SS*.THydrogen-bonded Turntrans-64.9-24.3179.826.2-34.2000112.9E193P177-E193 WeakPolarHBondContact CD-OE1 3.47Å
178T72.7Confident71.3Confident97 Ų9782.1 Ų82.160%0.59545%0.448SS*.THydrogen-bonded Turntrans-83.7-35.7-176.9-43.50000113.3C176 H196C176-T178 PolarHBondContact O-N 3.49Å; C176-T178 PolarHBondContact SG-N 2.76Å; C176-T178 VanDerWaalsContact SG-N 3.44Å; T178-H196 HydrophobicContact CG2-CB 4.5Å
179C76.6Confident71.4Confident29 Ų2980.6 Ų80.620%0.19643%0.432CS..THydrogen-bonded Turntrans-134.96.4-173.172.30000114.9C176 M181 H192C176-C179 PolarHBondContact O-N 2.93Å; C179-M181 PolarHBondContact O-N 3.26Å; C179-M181 VanDerWaalsContact SG-CB 3.58Å; C179-H192 VanDerWaalsContact SG-CE1 3.56Å; C179-H192 PolarHBondContact SG-NE2 3.07Å
180N71.9Confident71.4Confident110 Ų11081.6 Ų81.659%0.58845%0.446SS*.  trans56.318.3179.9-63.6-37.4000115C176 R182C176-N180 WeakPolarHBondContact O-CA 3.46Å; C176-N180 PolarHBondContact O-N 3.48Å; N180-R182 PolarHBondContact O-N 3.18Å
181M68.3Low71.9Confident20 Ų2083.5 Ų83.510%0.09945%0.447CS..  trans-66.1134175.5-164.166.558.100110.1Q175 C176 C179 F183 H243 L246 V247Q175-M181 WeakPolarHBondContact CA-O 3.36Å; C176-M181 HydrophobicContact CB-CB 4.42Å; C176-M181 PolarHBondContact N-O 3.47Å; C179-M181 PolarHBondContact O-N 3.26Å; C179-M181 VanDerWaalsContact SG-CB 3.58Å; M181-F183 HydrophobicContact CB-CE2 3.72Å; M181-F183 HydrophobicContact CB-CZ 3.93Å; M181-F183 HydrophobicContact CG-CE2 3.93Å; M181-F183 HydrophobicContact CG-CZ 3.71Å; M181-F183 VanDerWaalsContact O-CD2 3.25Å; M181-F183 WeakPolarHBondContact O-CD2 3.26Å; M181-F183 WeakPolarHBondContact O-CE2 3.28Å; M181-H243 HydrophobicContact CE-CB 3.69Å; M181-L246 HydrophobicContact SD-CD1 4.08Å; M181-V247 HydrophobicContact CE-CG2 4.48Å
182R73.4Confident72.4Confident171 Ų17176.4 Ų76.465%0.64542%0.416SS*.EExtended strand (participates in β ladder)trans-93.4134.5-175.2-65.2172.969.8170.91.1111.4P173 L174 Q175 N180P173-R182 HydrophobicContact CB-CB 4.35Å; P173-R182 HydrophobicContact CB-CG 4.21Å; L174-R182 CarbonylContact O-C 3.45Å; L174-R182 WeakPolarHBondContact O-CA 3.43Å; Q175-R182 HydrophobicContact CG-CG 4.1Å; N180-R182 PolarHBondContact O-N 3.18Å
183F69.5Low73.2Confident34 Ų3474.4 Ų74.415%0.14940%0.399CS..EExtended strand (participates in β ladder)trans-124148.4179.8-61.3-88.1000111.5L174 C176 M181 A188 L189 H192L174-F183 HydrophobicContact CB-CB 4.18Å; L174-F183 PolarHBondContact N-O 3.39Å; L174-F183 PolarHBondContact O-N 3.13Å; C176-F183 HydrophobicContact CB-CE2 4.12Å; M181-F183 HydrophobicContact CB-CE2 3.72Å; M181-F183 HydrophobicContact CB-CZ 3.93Å; M181-F183 HydrophobicContact CG-CE2 3.93Å; M181-F183 HydrophobicContact CG-CZ 3.71Å; M181-F183 VanDerWaalsContact O-CD2 3.25Å; M181-F183 WeakPolarHBondContact O-CD2 3.26Å; M181-F183 WeakPolarHBondContact O-CE2 3.28Å; F183-A188 HydrophobicContact CD1-CB 3.93Å; F183-A188 WeakPolarHBondContact CD1-O 3.18Å; F183-L189 HydrophobicContact CB-CB 4.11Å; F183-L189 HydrophobicContact CD2-CB 4.05Å; F183-L189 HydrophobicContact CD2-CD1 3.58Å; F183-L189 HydrophobicContact CD2-CG 4.43Å; F183-L189 HydrophobicContact CE2-CD1 3.86Å; F183-L189 HydrophobicContact CG-CB 4.05Å; F183-L189 HydrophobicContact CG-CD1 4.42Å; F183-H192 HydrophobicContact CE1-CB 3.56Å; F183-H192 AromaticContact CE1-CG 3.9Å; F183-H192 HydrophobicContact CE2-CB 4.05Å; F183-H192 AromaticContact CE2-CD2 3.35Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.34Å; F183-H192 AromaticContact CE2-CG 3.77Å; F183-H192 HydrophobicContact CZ-CB 3.3Å; F183-H192 AromaticContact CZ-CD2 3.22Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.37Å; F183-H192 AromaticContact CZ-CG 3.12Å; F183-H192 AromaticContact CZ-ND1 3.8Å; F183-H192 AromaticContact CZ-NE2 3.88Å
184T66.6Low73.7Confident127 Ų12774.3 Ų74.378%0.77940%0.399SS*.SBendtrans-96.3-8.6178.958.80000113.3
185R71.1Confident73.6Confident166 Ų16672.3 Ų72.363%0.62639%0.389SS*.SBendtrans-143.5138.2-176-64.1179.570.6160.9-0.3110.4V187 A188 L189R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 3.21Å; R185-A188 HydrophobicContact CB-CB 4.34Å; R185-A188 PolarHBondContact O-N 3.12Å; R185-A188 VanDerWaalsContact O-N 3.11Å; R185-L189 PolarHBondContact O-N 2.85Å
186P75.1Confident73.3Confident94 Ų9469.5 Ų69.561%0.6138%0.376SS*.Hα-helixtrans-55.5-41.4176.4-25.732.6000114L174 A188 L189 A190L174-P186 HydrophobicContact CD1-CB 4.12Å; L174-P186 HydrophobicContact CD1-CG 3.72Å; L174-P186 VanDerWaalsContact CD1-N 3.29Å; P186-A188 VanDerWaalsContact C-N 3.28Å; P186-A188 PolarHBondContact O-N 3.11Å; P186-L189 WeakPolarHBondContact O-CB 3.45Å; P186-L189 PolarHBondContact O-N 2.92Å; P186-L189 VanDerWaalsContact O-N 3.12Å; P186-A190 PolarHBondContact O-N 3.02Å
187V75.5Confident72.8Confident89 Ų8972.7 Ų72.754%0.53940%0.395SS..Hα-helixtrans-59.8-39.2178.3-179.60000111.8R185 A190 E191R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 3.21Å; V187-A190 PolarHBondContact O-N 3.33Å; V187-E191 WeakPolarHBondContact O-CB 3.3Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3.31Å
188A71.9Confident71.8Confident33 Ų3373.6 Ų73.627%0.27340%0.401SS..Hα-helixtrans-72.3-32.1179.100000112.2F183 R185 P186 H192F183-A188 HydrophobicContact CD1-CB 3.93Å; F183-A188 WeakPolarHBondContact CD1-O 3.18Å; R185-A188 HydrophobicContact CB-CB 4.34Å; R185-A188 PolarHBondContact O-N 3.12Å; R185-A188 VanDerWaalsContact O-N 3.11Å; P186-A188 VanDerWaalsContact C-N 3.28Å; P186-A188 PolarHBondContact O-N 3.11Å; A188-H192 WeakPolarHBondContact O-CB 3.49Å; A188-H192 PolarHBondContact O-N 2.91Å; A188-H192 VanDerWaalsContact O-N 3.11Å
189L79.7Confident70.9Confident22 Ų2272.6 Ų72.612%0.11541%0.411CS..Hα-helixtrans-65.2-49.5170.9173.263.5000110.1L174 C176 F183 R185 P186 E191 H192 E193L174-L189 HydrophobicContact CB-CB 4.36Å; L174-L189 HydrophobicContact CB-CD2 3.9Å; C176-L189 HydrophobicContact CB-CD1 4.01Å; F183-L189 HydrophobicContact CB-CB 4.11Å; F183-L189 HydrophobicContact CD2-CB 4.05Å; F183-L189 HydrophobicContact CD2-CD1 3.58Å; F183-L189 HydrophobicContact CD2-CG 4.43Å; F183-L189 HydrophobicContact CE2-CD1 3.86Å; F183-L189 HydrophobicContact CG-CB 4.05Å; F183-L189 HydrophobicContact CG-CD1 4.42Å; R185-L189 PolarHBondContact O-N 2.85Å; P186-L189 WeakPolarHBondContact O-CB 3.45Å; P186-L189 PolarHBondContact O-N 2.92Å; P186-L189 VanDerWaalsContact O-N 3.12Å; L189-E191 PolarHBondContact O-N 3.41Å; L189-H192 CarbonylContact O-C 3.53Å; L189-H192 WeakPolarHBondContact O-CA 3.4Å; L189-H192 WeakPolarHBondContact O-CB 3.42Å; L189-H192 PolarHBondContact O-N 3.17Å; L189-E193 HydrophobicContact CD1-CG 3.92Å; L189-E193 HydrophobicContact CG-CG 4.22Å; L189-E193 WeakPolarHBondContact O-CG 3.15Å; L189-E193 PolarHBondContact O-N 3.01Å
190A78.2Confident69.8Low52 Ų5271.8 Ų71.843%0.4341%0.407SS..Hα-helixtrans-61.4-43.4-179.900000112.8P186 V187 H192 E193 S194P186-A190 PolarHBondContact O-N 3.02Å; V187-A190 PolarHBondContact O-N 3.33Å; A190-H192 VanDerWaalsContact C-N 3.27Å; A190-H192 PolarHBondContact O-N 2.64Å; A190-E193 PolarHBondContact O-N 3.28Å; A190-S194 PolarHBondContact O-N 2.9Å
191E73.9Confident68.8Low129 Ų12972.9 Ų72.960%0.60342%0.42SS*.Hα-helixtrans-59-40.4172.4-78.9179.817900111.5V187 L189 S194 T195V187-E191 WeakPolarHBondContact O-CB 3.3Å; V187-E191 WeakPolarHBondContact O-CG 3.38Å; V187-E191 PolarHBondContact O-N 3.31Å; L189-E191 PolarHBondContact O-N 3.41Å; E191-S194 PolarHBondContact O-OG 2.92Å; E191-T195 WeakPolarHBondContact O-CG2 3.41Å
192H73.5Confident68Low16 Ų1675.2 Ų75.27%0.07444%0.438CS..Hα-helixtrans-71.1-39.5176169.270.8000113C176 C179 F183 A188 L189 A190 S194 T195 H196C176-H192 VanDerWaalsContact CB-CD2 3.49Å; C176-H192 WeakPolarHBondContact CB-CD2 3.49Å; C176-H192 WeakPolarHBondContact CB-NE2 3.41Å; C176-H192 PolarHBondContact SG-NE2 3.24Å; C176-H192 VanDerWaalsContact SG-NE2 3.36Å; C179-H192 VanDerWaalsContact SG-CE1 3.56Å; C179-H192 PolarHBondContact SG-NE2 3.07Å; F183-H192 HydrophobicContact CE1-CB 3.56Å; F183-H192 AromaticContact CE1-CG 3.9Å; F183-H192 HydrophobicContact CE2-CB 4.05Å; F183-H192 AromaticContact CE2-CD2 3.35Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.34Å; F183-H192 AromaticContact CE2-CG 3.77Å; F183-H192 HydrophobicContact CZ-CB 3.3Å; F183-H192 AromaticContact CZ-CD2 3.22Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.37Å; F183-H192 AromaticContact CZ-CG 3.12Å; F183-H192 AromaticContact CZ-ND1 3.8Å; F183-H192 AromaticContact CZ-NE2 3.88Å; A188-H192 WeakPolarHBondContact O-CB 3.49Å; A188-H192 PolarHBondContact O-N 2.91Å; A188-H192 VanDerWaalsContact O-N 3.11Å; L189-H192 CarbonylContact O-C 3.53Å; L189-H192 WeakPolarHBondContact O-CA 3.4Å; L189-H192 WeakPolarHBondContact O-CB 3.42Å; L189-H192 PolarHBondContact O-N 3.17Å; A190-H192 VanDerWaalsContact C-N 3.27Å; A190-H192 PolarHBondContact O-N 2.64Å; H192-S194 PolarHBondContact O-N 2.72Å; H192-T195 WeakPolarHBondContact O-CA 3.34Å; H192-T195 VanDerWaalsContact O-CB 3.28Å; H192-T195 WeakPolarHBondContact O-CB 3.4Å; H192-T195 WeakPolarHBondContact O-CG2 3.38Å; H192-T195 PolarHBondContact O-N 2.88Å; H192-T195 PolarHBondContact O-OG1 3.26Å; H192-H196 AromaticContact CD2-NE2 3.81Å; H192-H196 AromaticContact CE1-CE1 3.85Å; H192-H196 AromaticContact CE1-NE2 3.37Å; H192-H196 PolarHBondContact CE1-NE2 3.33Å; H192-H196 AromaticContact NE2-CE1 3.89Å; H192-H196 AromaticContact NE2-NE2 3.05Å; H192-H196 PolarHBondContact NE2-NE2 3.27Å
193E76.9Confident66.8Low73 Ų7372.4 Ų72.434%0.34144%0.44SS..Hα-helixtrans-61.2-34.7176.3-73.9172.8157.400111.4P177 L189 A190 T195 H196P177-E193 WeakPolarHBondContact CD-OE1 3.47Å; L189-E193 HydrophobicContact CD1-CG 3.92Å; L189-E193 HydrophobicContact CG-CG 4.22Å; L189-E193 WeakPolarHBondContact O-CG 3.15Å; L189-E193 PolarHBondContact O-N 3.01Å; A190-E193 PolarHBondContact O-N 3.28Å; E193-T195 PolarHBondContact O-N 3.06Å; E193-T195 VanDerWaalsContact O-N 3.08Å; E193-H196 PolarHBondContact O-N 3.45Å
194S74.9Confident65.9Low47 Ų4781.9 Ų81.933%0.32948%0.475SS..Hα-helixtrans-64.2-10.6171.783.30000114.5A190 E191 H192 T197A190-S194 PolarHBondContact O-N 2.9Å; E191-S194 PolarHBondContact O-OG 2.92Å; H192-S194 PolarHBondContact O-N 2.72Å; S194-T197 PolarHBondContact O-OG1 2.85Å
195T67.6Low65.4Low10 Ų1085.9 Ų85.96%0.06148%0.475CS..Hα-helixtrans-84.6-21.3174.171.90000112.9E191 H192 E193 T235E191-T195 WeakPolarHBondContact O-CG2 3.41Å; H192-T195 WeakPolarHBondContact O-CA 3.34Å; H192-T195 VanDerWaalsContact O-CB 3.28Å; H192-T195 WeakPolarHBondContact O-CB 3.4Å; H192-T195 WeakPolarHBondContact O-CG2 3.38Å; H192-T195 PolarHBondContact O-N 2.88Å; H192-T195 PolarHBondContact O-OG1 3.26Å; E193-T195 PolarHBondContact O-N 3.06Å; E193-T195 VanDerWaalsContact O-N 3.08Å; T195-T235 HydrophobicContact CG2-CG2 3.33Å
196H68.5Low65.1Low40 Ų4082.1 Ų82.119%0.18546%0.461CS..Hα-helixtrans-80.9-18173.3-61.1-56.6000112.2C176 T178 H192 E193 P198C176-H196 VanDerWaalsContact SG-CD2 3.52Å; C176-H196 PolarHBondContact SG-NE2 2.75Å; T178-H196 HydrophobicContact CG2-CB 4.5Å; H192-H196 AromaticContact CD2-NE2 3.81Å; H192-H196 AromaticContact CE1-CE1 3.85Å; H192-H196 AromaticContact CE1-NE2 3.37Å; H192-H196 PolarHBondContact CE1-NE2 3.33Å; H192-H196 AromaticContact NE2-CE1 3.89Å; H192-H196 AromaticContact NE2-NE2 3.05Å; H192-H196 PolarHBondContact NE2-NE2 3.27Å; E193-H196 PolarHBondContact O-N 3.45Å; H196-P198 VanDerWaalsContact O-CD 3.25Å; H196-P198 WeakPolarHBondContact O-CD 3.37Å
197T66.2Low64.9Low67 Ų6781.2 Ų81.241%0.41145%0.448SS..SBendtrans-76.5118.5177.2530000111.2S194 G199 G200 R206S194-T197 PolarHBondContact O-OG1 2.85Å; T197-G199 PolarHBondContact O-N 3.21Å; T197-G200 PolarHBondContact O-N 3.25Å; T197-R206 PolarHBondContact O-NH2 3.4Å; T197-R206 VanDerWaalsContact O-NH2 3.08Å
198P55.3Low64.7Low119 Ų11978.5 Ų78.577%0.77343%0.43SS*.THydrogen-bonded Turntrans-61.8128.5168.3-1732000108.9H196H196-P198 VanDerWaalsContact O-CD 3.25Å; H196-P198 WeakPolarHBondContact O-CD 3.37Å
199G54.2Low64.8Low77 Ų7776.9 Ų76.979%0.79442%0.417SS*.THydrogen-bonded Turntrans84.95.9177.900000117.2T197T197-G199 PolarHBondContact O-N 3.21Å
200G54Low64.2Low11 Ų1179.7 Ų79.711%0.11344%0.436CS..  trans-65.1159.9177.500000114.9T197 S202T197-G200 PolarHBondContact O-N 3.25Å; G200-S202 PolarHBondContact O-N 3.34Å
201P50.9Low63.8Low134 Ų13480 Ų8087%0.8743%0.43SS*.SBendtrans-61.3-8.8-166.5-23.733.8000117.2V203P201-V203 PolarHBondContact O-N 2.87Å
202S50.8Low63.6Low68 Ų6876.1 Ų76.148%0.47642%0.417SS..  trans-91.772.9177.9-85.20000111.9G200 R204G200-S202 PolarHBondContact O-N 3.34Å; S202-R204 PolarHBondContact O-N 3.2Å
203V49Very low63.4Low113 Ų11375.9 Ų75.969%0.68542%0.417SS*.  trans-80.711.4179.1-163.20000112.7P201 R205P201-V203 PolarHBondContact O-N 2.87Å; V203-R205 PolarHBondContact O-N 3.12Å
204R50.4Low62.5Low233 Ų23377.6 Ų77.688%0.87944%0.435SS*.SBendtrans-93.2100.6177.7-77-173.9168.2-135.2-2.1111.1S202S202-R204 PolarHBondContact O-N 3.2Å
205R55.3Low61.6Low211 Ų21178.5 Ų78.580%0.79645%0.451SS*.  trans40.890.7169-71.9-172.5177.7-135.32.2114.4V203V203-R205 PolarHBondContact O-N 3.12Å
206R66.1Low61Low86 Ų8681.1 Ų81.133%0.32547%0.467SS..PPolyproline II helixtrans-69.1127.3167.6-68178.6-177.5-156.3-6.4109T197 A233T197-R206 PolarHBondContact O-NH2 3.4Å; T197-R206 VanDerWaalsContact O-NH2 3.08Å; R206-A233 HydrophobicContact CB-CB 4.12Å; R206-A233 HydrophobicContact CG-CB 4.38Å
207F69.7Low60.3Low75 Ų7583.9 Ų83.933%0.32949%0.487SS..EExtended strand (participates in β ladder)trans-89.3120.2168.1-66.7-90.9000107.6A233 F234 A236 K237 L240F207-A233 CarbonylContact O-C 3.55Å; F207-A233 WeakPolarHBondContact O-CA 3.43Å; F207-F234 HydrophobicContact CB-CB 4.3Å; F207-F234 PolarHBondContact N-O 2.85Å; F207-F234 VanDerWaalsContact O-CD2 3.3Å; F207-F234 WeakPolarHBondContact O-CD2 3.21Å; F207-F234 PolarHBondContact O-N 3.3Å; F207-A236 VanDerWaalsContact CD2-C 3.45Å; F207-K237 HydrophobicContact CD1-CB 4.04Å; F207-K237 HydrophobicContact CD1-CG 4.32Å; F207-K237 HydrophobicContact CD2-CB 4.47Å; F207-K237 VanDerWaalsContact CD2-N 3.3Å; F207-K237 HydrophobicContact CE1-CB 3.68Å; F207-K237 HydrophobicContact CE1-CD 4.45Å; F207-K237 HydrophobicContact CE1-CG 4.11Å; F207-K237 HydrophobicContact CE2-CB 4.15Å; F207-K237 VanDerWaalsContact CE2-N 3.27Å; F207-K237 HydrophobicContact CG-CB 4.42Å; F207-K237 HydrophobicContact CZ-CB 3.74Å; F207-L240 HydrophobicContact CB-CB 4.08Å; F207-L240 HydrophobicContact CB-CD2 3.87Å
208I71.9Confident59.6Low32 Ų3287.4 Ų87.416%0.16450%0.503CS..EExtended strand (participates in β ladder)trans-98.9143.4-174.6-63.6159.1000109.7P210 V216 L231 A233I208-P210 WeakPolarHBondContact O-CD 3.47Å; I208-V216 HydrophobicContact CD1-CB 4.2Å; I208-V216 HydrophobicContact CD1-CG1 3.53Å; I208-V216 HydrophobicContact CG2-CB 4.47Å; I208-L231 HydrophobicContact CD1-CD1 4.33Å; I208-L231 HydrophobicContact CG1-CD1 4.25Å; I208-L231 HydrophobicContact CG2-CD1 3.8Å; I208-A233 HydrophobicContact CG1-CB 4.46Å
209C73.3Confident59Low0 Ų087.4 Ų87.40%050%0.496CS..  trans-77.2111.3170-179.20000110.3L211 C212 S213 V232 F234 L240 H243 M244 H248C209-L211 PolarHBondContact O-N 3.29Å; C209-L211 VanDerWaalsContact O-N 3.11Å; C209-L211 PolarHBondContact SG-N 2.97Å; C209-C212 HydrophobicContact CB-CB 4.06Å; C209-C212 PolarHBondContact O-N 3.37Å; C209-C212 PolarHBondContact SG-N 3.5Å; C209-C212 VanDerWaalsContact SG-N 3.4Å; C209-S213 PolarHBondContact O-N 3.02Å; C209-V232 HydrophobicContact CB-CB 4.21Å; C209-V232 HydrophobicContact CB-CG1 4.08Å; C209-V232 PolarHBondContact N-O 2.98Å; C209-F234 HydrophobicContact CB-CE2 4.08Å; C209-L240 HydrophobicContact CB-CD1 4.03Å; C209-H243 PolarHBondContact SG-NE2 3.06Å; C209-M244 HydrophobicContact CB-CE 4.35Å; C209-M244 WeakPolarHBondContact SG-CE 3.27Å; C209-H248 PolarHBondContact SG-NE2 3.32Å; C209-H248 VanDerWaalsContact SG-NE2 3.39Å
210P67.3Low58.9Low80 Ų8093.1 Ų93.152%0.51950%0.5SS..THydrogen-bonded Turntrans-64.5-14.7178.324.6-37.5000114.6I208 M244I208-P210 WeakPolarHBondContact O-CD 3.47Å; P210-M244 VanDerWaalsContact CD-CE 3.42Å; P210-M244 HydrophobicContact CG-CE 3.73Å
211L70.2Confident58.2Low59 Ų5998.7 Ų98.731%0.30953%0.527SS..THydrogen-bonded Turntrans-93.9-37.9-179.2-62174.9000112.4C209 M244 H248 L251 F253C209-L211 PolarHBondContact O-N 3.29Å; C209-L211 VanDerWaalsContact O-N 3.11Å; C209-L211 PolarHBondContact SG-N 2.97Å; L211-M244 HydrophobicContact CD1-CE 4.49Å; L211-M244 HydrophobicContact CD1-SD 4.07Å; L211-H248 HydrophobicContact CD1-CB 3.98Å; L211-L251 HydrophobicContact CD1-CD1 3.88Å; L211-F253 HydrophobicContact CD1-CZ 4.09Å
212C69.7Low57.6Low48 Ų4899.7 Ų99.732%0.32453%0.525SS..THydrogen-bonded Turntrans-84.4-21.7175.9-65.20000112.8C209 V232 H248C209-C212 HydrophobicContact CB-CB 4.06Å; C209-C212 PolarHBondContact O-N 3.37Å; C209-C212 PolarHBondContact SG-N 3.5Å; C209-C212 VanDerWaalsContact SG-N 3.4Å; C212-V232 HydrophobicContact CB-CB 3.78Å; C212-V232 HydrophobicContact CB-CG1 4.37Å; C212-V232 HydrophobicContact CB-CG2 3.47Å; C212-V232 VanDerWaalsContact CB-CG2 3.47Å; C212-H248 PolarHBondContact SG-NE2 3.46Å
213S69.3Low57Low10 Ų10100.3 Ų100.37%0.0753%0.529CS..SBendtrans-128.764.6179.1-55.80000111C209 G215 G230 L231 V232C209-S213 PolarHBondContact O-N 3.02Å; S213-G215 PolarHBondContact O-N 2.95Å; S213-G230 PolarHBondContact OG-O 3.22Å; S213-L231 WeakPolarHBondContact OG-CA 3.11Å; S213-V232 PolarHBondContact OG-N 2.83Å
214P58.3Low56.5Low110 Ų110102.3 Ų102.371%0.71454%0.536SS*.THydrogen-bonded Turntrans-66118.3174.728.8-32.2000108.8
215G55.7Low56Low65 Ų6596.8 Ų96.867%0.6753%0.533SS*.THydrogen-bonded Turntrans116.97.8179.100000115.8S213S213-G215 PolarHBondContact O-N 2.95Å
216V55.9Low55.3Low66 Ų6695.2 Ų95.240%0.454%0.535SS..  trans-110.8100.6167.1-167.40000108.4I208 L231I208-V216 HydrophobicContact CD1-CB 4.2Å; I208-V216 HydrophobicContact CD1-CG1 3.53Å; I208-V216 HydrophobicContact CG2-CB 4.47Å; V216-L231 HydrophobicContact CB-CD1 4.28Å; V216-L231 HydrophobicContact CG1-CD1 4.46Å; V216-L231 HydrophobicContact CG2-CD1 3.72Å
217T51.8Low54.1Low98 Ų9894.5 Ų94.560%0.60155%0.554SS**  trans-78.1148.8173.338.40000109.7D219T217-D219 WeakPolarHBondContact CB-OD2 3.3Å; T217-D219 PolarHBondContact O-N 2.86Å; T217-D219 PolarHBondContact OG1-OD2 3.29Å
218D51.6Low53.1Low141 Ų14199 Ų9975%0.75457%0.574SS**  trans-69.344.5177.6-74-50.4000112.1K220D218-K220 PolarHBondContact O-N 3.46Å; D218-K220 VanDerWaalsContact O-N 3.17Å
219D44.6Very low52Low118 Ų118106 Ų10663%0.63161%0.611SS**  trans-66.6120.2177.3-67.5-45000108.1T217 D221T217-D219 WeakPolarHBondContact CB-OD2 3.3Å; T217-D219 PolarHBondContact O-N 2.86Å; T217-D219 PolarHBondContact OG1-OD2 3.29Å; D219-D221 PolarHBondContact O-N 2.77Å
220K50.8Low51.3Low198 Ų198108.6 Ų108.686%0.86164%0.639SS**  trans-67.15.9-173.6-72.9176.1-179.7165.80113.3D218 N222D218-K220 PolarHBondContact O-N 3.46Å; D218-K220 VanDerWaalsContact O-N 3.17Å; K220-N222 PolarHBondContact O-N 2.96Å
221D39.8Very low51.3Low128 Ų128107.8 Ų107.868%0.68463%0.629SS**  trans-92.7106.5-177.7-63.3-32.7000109.2D219 S223D219-D221 PolarHBondContact O-N 2.77Å; D221-S223 PolarHBondContact O-N 3.36Å; D221-S223 PolarHBondContact O-OG 3.09Å
222N38Very low51.2Low154 Ų154106.1 Ų106.182%0.82462%0.622SS**  trans-60.372.7165.9-177.438.4000109.5K220K220-N222 PolarHBondContact O-N 2.96Å
223S38.7Very low51.2Low82 Ų82104 Ų10457%0.57361%0.607SS**  trans-135.388.9177.645.10000108.7D221 S225D221-S223 PolarHBondContact O-N 3.36Å; D221-S223 PolarHBondContact O-OG 3.09Å; S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 2.7Å
224N37.5Very low51.1Low155 Ų155103.8 Ų103.883%0.82961%0.605SS**  trans17.761.3139.3-144.819.9000116.4Q226N224-Q226 PolarHBondContact O-N 2.88Å; N224-Q226 VanDerWaalsContact O-N 3.16Å
225S41.2Very low51.4Low117 Ų117101.5 Ų101.582%0.81859%0.589SS**  trans-84.192.4171.859.20000107.9S223S223-S225 VanDerWaalsContact C-N 3.28Å; S223-S225 PolarHBondContact O-N 2.7Å
226Q40.2Very low51.9Low177 Ų17799.6 Ų99.683%0.82757%0.567SS**  trans-55.9139.1170.1-68.8176.5-59.300110.4N224N224-Q226 PolarHBondContact O-N 2.88Å; N224-Q226 VanDerWaalsContact O-N 3.16Å
227G41.7Very low52.4Low71 Ų71101.1 Ų101.173%0.73257%0.568SS**  trans88.353.1147.400000118.8
228K46.9Very low53.2Low171 Ų171105 Ų10574%0.74357%0.572SS**  trans-13098.8154.2-70.1-171.2-178.2177.50110.7G230K228-G230 PolarHBondContact O-N 3.08Å; K228-G230 VanDerWaalsContact O-N 3.12Å
229D49.1Very low54Low177 Ų177100.6 Ų100.695%0.94755%0.548SS*.THydrogen-bonded Turntrans-58.9108.7166.7-65-38.4000108.3
230G59.7Low55.3Low56 Ų5695.9 Ų95.958%0.57752%0.523SS*.THydrogen-bonded Turntrans135.46.5-178.100000116.8S213 K228 V232S213-G230 PolarHBondContact OG-O 3.22Å; K228-G230 PolarHBondContact O-N 3.08Å; K228-G230 VanDerWaalsContact O-N 3.12Å; G230-V232 PolarHBondContact O-N 3.22Å
231L66.3Low56.1Low63 Ų6388.7 Ų88.733%0.3349%0.494SS..  trans-73.3115.8176.7-173.964.6000112.1I208 S213 V216 A233I208-L231 HydrophobicContact CD1-CD1 4.33Å; I208-L231 HydrophobicContact CG1-CD1 4.25Å; I208-L231 HydrophobicContact CG2-CD1 3.8Å; S213-L231 WeakPolarHBondContact OG-CA 3.11Å; V216-L231 HydrophobicContact CB-CD1 4.28Å; V216-L231 HydrophobicContact CG1-CD1 4.46Å; V216-L231 HydrophobicContact CG2-CD1 3.72Å; L231-A233 HydrophobicContact CG-CB 4.38Å; L231-A233 PolarHBondContact O-N 2.95Å
232V67.7Low57.5Low24 Ų2485.5 Ų85.515%0.14548%0.479CS..  trans-94.398.9173.5-177.80000109.5C209 C212 S213 G230 F234C209-V232 HydrophobicContact CB-CB 4.21Å; C209-V232 HydrophobicContact CB-CG1 4.08Å; C209-V232 PolarHBondContact N-O 2.98Å; C212-V232 HydrophobicContact CB-CB 3.78Å; C212-V232 HydrophobicContact CB-CG1 4.37Å; C212-V232 HydrophobicContact CB-CG2 3.47Å; C212-V232 VanDerWaalsContact CB-CG2 3.47Å; S213-V232 PolarHBondContact OG-N 2.83Å; G230-V232 PolarHBondContact O-N 3.22Å; V232-F234 HydrophobicContact CG1-CE2 3.74Å; V232-F234 HydrophobicContact CG1-CZ 3.54Å
233A70Confident59.2Low2 Ų278.3 Ų78.32%0.01744%0.441CS..EExtended strand (participates in β ladder)trans-117.2150.9-177.700000112.8R206 F207 I208 L231R206-A233 HydrophobicContact CB-CB 4.12Å; R206-A233 HydrophobicContact CG-CB 4.38Å; F207-A233 CarbonylContact O-C 3.55Å; F207-A233 WeakPolarHBondContact O-CA 3.43Å; I208-A233 HydrophobicContact CG1-CB 4.46Å; L231-A233 HydrophobicContact CG-CB 4.38Å; L231-A233 PolarHBondContact O-N 2.95Å
234F67Low60.8Low7 Ų775.5 Ų75.53%0.03142%0.419CS..EExtended strand (participates in β ladder)trans-128.4141.2-179.2-55.9-84.1000111.3F207 C209 V232 A236 N239 L240 H243F207-F234 HydrophobicContact CB-CB 4.3Å; F207-F234 PolarHBondContact N-O 2.85Å; F207-F234 VanDerWaalsContact O-CD2 3.3Å; F207-F234 WeakPolarHBondContact O-CD2 3.21Å; F207-F234 PolarHBondContact O-N 3.3Å; C209-F234 HydrophobicContact CB-CE2 4.08Å; V232-F234 HydrophobicContact CG1-CE2 3.74Å; V232-F234 HydrophobicContact CG1-CZ 3.54Å; F234-A236 VanDerWaalsContact C-N 3.26Å; F234-A236 PolarHBondContact O-N 2.82Å; F234-N239 HydrophobicContact CB-CB 4.05Å; F234-N239 HydrophobicContact CD1-CB 3.84Å; F234-N239 HydrophobicContact CG-CB 4.26Å; F234-L240 HydrophobicContact CB-CB 4.23Å; F234-L240 HydrophobicContact CD2-CB 3.6Å; F234-L240 HydrophobicContact CD2-CD1 3.59Å; F234-L240 HydrophobicContact CD2-CG 4.18Å; F234-L240 HydrophobicContact CE2-CB 4.25Å; F234-L240 HydrophobicContact CE2-CD1 3.53Å; F234-L240 HydrophobicContact CG-CB 3.98Å; F234-H243 HydrophobicContact CE1-CB 3.55Å; F234-H243 AromaticContact CE1-CG 3.92Å; F234-H243 HydrophobicContact CE2-CB 4.08Å; F234-H243 AromaticContact CE2-CD2 3.84Å; F234-H243 AromaticContact CE2-CG 3.94Å; F234-H243 HydrophobicContact CZ-CB 3.28Å; F234-H243 AromaticContact CZ-CD2 3.54Å; F234-H243 AromaticContact CZ-CG 3.19Å; F234-H243 AromaticContact CZ-ND1 3.58Å
235T65.5Low62.3Low61 Ų6176.2 Ų76.237%0.37441%0.41SS..SBendtrans-74.5-12.2176.544.80000114.4T195T195-T235 HydrophobicContact CG2-CG2 3.33Å
236A66.3Low63.7Low25 Ų2576.6 Ų76.621%0.20740%0.402CS..SBendtrans-150.6144.6-18000000111.4F207 F234 R238 N239 L240F207-A236 VanDerWaalsContact CD2-C 3.45Å; F234-A236 VanDerWaalsContact C-N 3.26Å; F234-A236 PolarHBondContact O-N 2.82Å; A236-R238 HydrophobicContact CB-CG 4.04Å; A236-R238 PolarHBondContact O-N 3.11Å; A236-N239 WeakPolarHBondContact O-CB 3.21Å; A236-N239 PolarHBondContact O-N 3.27Å; A236-L240 PolarHBondContact O-N 3.03Å
237K67.1Low65.2Low99 Ų9971.7 Ų71.743%0.4338%0.384SS..Hα-helixtrans-52.7-40.5177.3-170.8177.8176.8-177.80112.9F207 N239 L240 D241F207-K237 HydrophobicContact CD1-CB 4.04Å; F207-K237 HydrophobicContact CD1-CG 4.32Å; F207-K237 HydrophobicContact CD2-CB 4.47Å; F207-K237 VanDerWaalsContact CD2-N 3.3Å; F207-K237 HydrophobicContact CE1-CB 3.68Å; F207-K237 HydrophobicContact CE1-CD 4.45Å; F207-K237 HydrophobicContact CE1-CG 4.11Å; F207-K237 HydrophobicContact CE2-CB 4.15Å; F207-K237 VanDerWaalsContact CE2-N 3.27Å; F207-K237 HydrophobicContact CG-CB 4.42Å; F207-K237 HydrophobicContact CZ-CB 3.74Å; K237-N239 PolarHBondContact O-N 2.89Å; K237-L240 WeakPolarHBondContact O-CB 3.43Å; K237-L240 PolarHBondContact O-N 2.96Å; K237-D241 PolarHBondContact O-N 3.05Å
238R68.2Low66.7Low179 Ų17969.4 Ų69.468%0.67535%0.354SS*.Hα-helixtrans-59.2-31.1177.870.7-175.2177.996.3-1.4113.4A236 T242A236-R238 HydrophobicContact CB-CG 4.04Å; A236-R238 PolarHBondContact O-N 3.11Å; R238-T242 WeakPolarHBondContact O-CB 3.49Å; R238-T242 PolarHBondContact O-N 3.16Å; R238-T242 PolarHBondContact O-OG1 3.2Å
239N68.3Low67.4Low48 Ų4862.9 Ų62.926%0.25734%0.336SS..Hα-helixtrans-77.8-41.6179.7-65-7.2000110F234 A236 K237 D241 T242 H243F234-N239 HydrophobicContact CB-CB 4.05Å; F234-N239 HydrophobicContact CD1-CB 3.84Å; F234-N239 HydrophobicContact CG-CB 4.26Å; A236-N239 WeakPolarHBondContact O-CB 3.21Å; A236-N239 PolarHBondContact O-N 3.27Å; K237-N239 PolarHBondContact O-N 2.89Å; N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact O-N 3.46Å; N239-T242 PolarHBondContact O-N 3.36Å; N239-H243 WeakPolarHBondContact O-CB 3.25Å; N239-H243 PolarHBondContact O-N 3.27Å
240L72.2Confident68Low20 Ų2062.2 Ų62.211%0.10533%0.332CS..Hα-helixtrans-57.6-46.8169.7173.763.1000111.1F207 C209 F234 A236 K237 T242 H243 M244F207-L240 HydrophobicContact CB-CB 4.08Å; F207-L240 HydrophobicContact CB-CD2 3.87Å; C209-L240 HydrophobicContact CB-CD1 4.03Å; F234-L240 HydrophobicContact CB-CB 4.23Å; F234-L240 HydrophobicContact CD2-CB 3.6Å; F234-L240 HydrophobicContact CD2-CD1 3.59Å; F234-L240 HydrophobicContact CD2-CG 4.18Å; F234-L240 HydrophobicContact CE2-CB 4.25Å; F234-L240 HydrophobicContact CE2-CD1 3.53Å; F234-L240 HydrophobicContact CG-CB 3.98Å; A236-L240 PolarHBondContact O-N 3.03Å; K237-L240 WeakPolarHBondContact O-CB 3.43Å; K237-L240 PolarHBondContact O-N 2.96Å; L240-T242 VanDerWaalsContact C-N 3.29Å; L240-T242 PolarHBondContact O-N 3.29Å; L240-H243 WeakPolarHBondContact O-CB 3.47Å; L240-H243 PolarHBondContact O-N 3.23Å; L240-M244 HydrophobicContact CD1-CE 3.97Å; L240-M244 HydrophobicContact CD1-CG 4.16Å; L240-M244 HydrophobicContact CG-CG 4.45Å; L240-M244 WeakPolarHBondContact O-CB 3.36Å; L240-M244 VanDerWaalsContact O-CG 3.26Å; L240-M244 WeakPolarHBondContact O-CG 3.22Å; L240-M244 PolarHBondContact O-N 3.09Å
241D66.1Low68.1Low46 Ų4663.3 Ų63.325%0.24632%0.324CS..Hα-helixtrans-60.3-39177.5-75.1-28.2000112.2K237 N239 M244 R245K237-D241 PolarHBondContact O-N 3.05Å; N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact O-N 3.46Å; D241-M244 PolarHBondContact O-N 2.96Å; D241-R245 WeakPolarHBondContact O-CG 3.33Å; D241-R245 PolarHBondContact O-N 3.48Å; D241-R245 VanDerWaalsContact O-N 3.1Å
242T69.3Low68.1Low61 Ų6168.4 Ų68.437%0.37434%0.343SS..Hα-helixtrans-68.8-43.9177.8-56.90000110.9R238 N239 L240 M244 R245 L246R238-T242 WeakPolarHBondContact O-CB 3.49Å; R238-T242 PolarHBondContact O-N 3.16Å; R238-T242 PolarHBondContact O-OG1 3.2Å; N239-T242 PolarHBondContact O-N 3.36Å; L240-T242 VanDerWaalsContact C-N 3.29Å; L240-T242 PolarHBondContact O-N 3.29Å; T242-M244 VanDerWaalsContact C-N 3.35Å; T242-M244 PolarHBondContact O-N 3.39Å; T242-R245 PolarHBondContact O-N 2.99Å; T242-R245 VanDerWaalsContact O-N 3.14Å; T242-L246 HydrophobicContact CG2-CD1 3.78Å; T242-L246 HydrophobicContact CG2-CG 4.3Å; T242-L246 WeakPolarHBondContact O-CG 3.43Å; T242-L246 PolarHBondContact O-N 3.22Å
243H74.4Confident68.1Low4 Ų468.4 Ų68.42%0.01934%0.342CS..Hα-helixtrans-58.2-46.2172.7166.487.1000111.9M181 C209 F234 N239 L240 R245 L246 V247 H248M181-H243 HydrophobicContact CE-CB 3.69Å; C209-H243 PolarHBondContact SG-NE2 3.06Å; F234-H243 HydrophobicContact CE1-CB 3.55Å; F234-H243 AromaticContact CE1-CG 3.92Å; F234-H243 HydrophobicContact CE2-CB 4.08Å; F234-H243 AromaticContact CE2-CD2 3.84Å; F234-H243 AromaticContact CE2-CG 3.94Å; F234-H243 HydrophobicContact CZ-CB 3.28Å; F234-H243 AromaticContact CZ-CD2 3.54Å; F234-H243 AromaticContact CZ-CG 3.19Å; F234-H243 AromaticContact CZ-ND1 3.58Å; N239-H243 WeakPolarHBondContact O-CB 3.25Å; N239-H243 PolarHBondContact O-N 3.27Å; L240-H243 WeakPolarHBondContact O-CB 3.47Å; L240-H243 PolarHBondContact O-N 3.23Å; H243-R245 PolarHBondContact O-N 3.01Å; H243-L246 PolarHBondContact O-N 3.31Å; H243-V247 WeakPolarHBondContact ND1-CG2 3.4Å; H243-V247 WeakPolarHBondContact O-CB 3.14Å; H243-V247 PolarHBondContact O-N 3.19Å; H243-H248 AromaticContact NE2-CD2 3.7Å; H243-H248 AromaticContact NE2-NE2 3.42Å; H243-H248 PolarHBondContact NE2-NE2 3.48Å
244M72.1Confident68.2Low22 Ų2272 Ų7211%0.10837%0.365CS..Hα-helixtrans-58.9-32.7175.8-74.1-69.3-175.100112.8C209 P210 L211 L240 D241 T242 H248 G249C209-M244 HydrophobicContact CB-CE 4.35Å; C209-M244 WeakPolarHBondContact SG-CE 3.27Å; P210-M244 VanDerWaalsContact CD-CE 3.42Å; P210-M244 HydrophobicContact CG-CE 3.73Å; L211-M244 HydrophobicContact CD1-CE 4.49Å; L211-M244 HydrophobicContact CD1-SD 4.07Å; L240-M244 HydrophobicContact CD1-CE 3.97Å; L240-M244 HydrophobicContact CD1-CG 4.16Å; L240-M244 HydrophobicContact CG-CG 4.45Å; L240-M244 WeakPolarHBondContact O-CB 3.36Å; L240-M244 VanDerWaalsContact O-CG 3.26Å; L240-M244 WeakPolarHBondContact O-CG 3.22Å; L240-M244 PolarHBondContact O-N 3.09Å; D241-M244 PolarHBondContact O-N 2.96Å; T242-M244 VanDerWaalsContact C-N 3.35Å; T242-M244 PolarHBondContact O-N 3.39Å; M244-H248 CarbonylContact O-C 3.5Å; M244-H248 WeakPolarHBondContact O-CA 3.4Å; M244-H248 VanDerWaalsContact O-CB 3.25Å; M244-H248 WeakPolarHBondContact O-CB 3.33Å; M244-H248 PolarHBondContact O-N 3.45Å; M244-H248 HydrophobicContact SD-CB 4.32Å; M244-H248 VanDerWaalsContact SD-CD2 3.59Å; M244-G249 PolarHBondContact O-N 3.36Å; M244-G249 VanDerWaalsContact O-N 3.11Å
245R69Low68.7Low171 Ų17172.3 Ų72.365%0.64537%0.368SS*.Hα-helixtrans-79.3-38.2175.9-71.2176.7-165.5156.66.3113.4D241 T242 H243 G249D241-R245 WeakPolarHBondContact O-CG 3.33Å; D241-R245 PolarHBondContact O-N 3.48Å; D241-R245 VanDerWaalsContact O-N 3.1Å; T242-R245 PolarHBondContact O-N 2.99Å; T242-R245 VanDerWaalsContact O-N 3.14Å; H243-R245 PolarHBondContact O-N 3.01Å; R245-G249 WeakPolarHBondContact O-CA 3.22Å; R245-G249 PolarHBondContact O-N 3.34Å
246L71.2Confident69.2Low124 Ų12475.1 Ų75.165%0.64939%0.385SS*.Hα-helixtrans-84.8-39.1-173.8-67.4177.2000112.8M181 T242 H243M181-L246 HydrophobicContact SD-CD1 4.08Å; T242-L246 HydrophobicContact CG2-CD1 3.78Å; T242-L246 HydrophobicContact CG2-CG 4.3Å; T242-L246 WeakPolarHBondContact O-CG 3.43Å; T242-L246 PolarHBondContact O-N 3.22Å; H243-L246 PolarHBondContact O-N 3.31Å
247V72Confident69.6Low74 Ų7479.4 Ų79.445%0.44840%0.396SS..THydrogen-bonded Turntrans-93.5-38.6-176.9-176.70000111M181 H243M181-V247 HydrophobicContact CE-CG2 4.48Å; H243-V247 WeakPolarHBondContact ND1-CG2 3.4Å; H243-V247 WeakPolarHBondContact O-CB 3.14Å; H243-V247 PolarHBondContact O-N 3.19Å
248H71.7Confident69.9Low24 Ų2486.3 Ų86.311%0.11142%0.419CS..SBendtrans-110.96.9-175.6-60.3-56000113.5C209 L211 C212 H243 M244 N250 L251C209-H248 PolarHBondContact SG-NE2 3.32Å; C209-H248 VanDerWaalsContact SG-NE2 3.39Å; L211-H248 HydrophobicContact CD1-CB 3.98Å; C212-H248 PolarHBondContact SG-NE2 3.46Å; H243-H248 AromaticContact NE2-CD2 3.7Å; H243-H248 AromaticContact NE2-NE2 3.42Å; H243-H248 PolarHBondContact NE2-NE2 3.48Å; M244-H248 CarbonylContact O-C 3.5Å; M244-H248 WeakPolarHBondContact O-CA 3.4Å; M244-H248 VanDerWaalsContact O-CB 3.25Å; M244-H248 WeakPolarHBondContact O-CB 3.33Å; M244-H248 PolarHBondContact O-N 3.45Å; M244-H248 HydrophobicContact SD-CB 4.32Å; M244-H248 VanDerWaalsContact SD-CD2 3.59Å; H248-N250 PolarHBondContact O-N 2.83Å; H248-N250 VanDerWaalsContact O-N 3.14Å; H248-L251 HydrophobicContact CB-CD1 3.92Å; H248-L251 VanDerWaalsContact O-CB 3.27Å; H248-L251 WeakPolarHBondContact O-CB 3.48Å; H248-L251 PolarHBondContact O-N 3.16Å
249G62.5Low70Confident34 Ų3481.7 Ų81.735%0.35143%0.428SS..THydrogen-bonded Turntrans-63.6-21.2-174.600000115M244 R245 L251M244-G249 PolarHBondContact O-N 3.36Å; M244-G249 VanDerWaalsContact O-N 3.11Å; R245-G249 WeakPolarHBondContact O-CA 3.22Å; R245-G249 PolarHBondContact O-N 3.34Å; G249-L251 VanDerWaalsContact C-N 3.29Å
250N61.3Low70.3Confident163 Ų16380.6 Ų80.687%0.87242%0.424SS*.THydrogen-bonded Turntrans-80.6-11.5174.9-65.6-17.8000112.7H248 K252H248-N250 PolarHBondContact O-N 2.83Å; H248-N250 VanDerWaalsContact O-N 3.14Å; N250-K252 PolarHBondContact O-N 3.45Å; N250-K252 VanDerWaalsContact O-N 3.1Å
251L61.4Low70.2Confident78 Ų7885.4 Ų85.441%0.40846%0.456SS..  trans-77100.3174.8-66.3169.2000108.9L211 H248 G249 F253L211-L251 HydrophobicContact CD1-CD1 3.88Å; H248-L251 HydrophobicContact CB-CD1 3.92Å; H248-L251 VanDerWaalsContact O-CB 3.27Å; H248-L251 WeakPolarHBondContact O-CB 3.48Å; H248-L251 PolarHBondContact O-N 3.16Å; G249-L251 VanDerWaalsContact C-N 3.29Å; L251-F253 HydrophobicContact CB-CD2 4.39Å; L251-F253 HydrophobicContact CB-CE1 4.22Å; L251-F253 HydrophobicContact CB-CE2 3.63Å; L251-F253 HydrophobicContact CB-CZ 3.53Å; L251-F253 HydrophobicContact CD1-CZ 4Å; L251-F253 HydrophobicContact CG-CZ 4.37Å; L251-F253 WeakPolarHBondContact O-CD2 3.27Å; L251-F253 VanDerWaalsContact O-CE2 3.28Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å
252K66.4Low70.5Confident170 Ų17084.6 Ų84.674%0.73945%0.453SS*.  trans-76.8119.4164.5-74.1-176.8-175.9178.30107.8N250 P254 V263N250-K252 PolarHBondContact O-N 3.45Å; N250-K252 VanDerWaalsContact O-N 3.1Å; K252-P254 WeakPolarHBondContact O-CD 3.32Å; K252-V263 HydrophobicContact CB-CG1 3.6Å; K252-V263 HydrophobicContact CD-CG1 4.25Å; K252-V263 HydrophobicContact CG-CG1 4.06Å
253F69.4Low70.6Confident24 Ų2485.5 Ų85.511%0.10546%0.458CS..EExtended strand (participates in β ladder)trans-99.496.9179.9-64.8-80.2000109.6L211 L251 L264 R267 L270L211-F253 HydrophobicContact CD1-CZ 4.09Å; L251-F253 HydrophobicContact CB-CD2 4.39Å; L251-F253 HydrophobicContact CB-CE1 4.22Å; L251-F253 HydrophobicContact CB-CE2 3.63Å; L251-F253 HydrophobicContact CB-CZ 3.53Å; L251-F253 HydrophobicContact CD1-CZ 4Å; L251-F253 HydrophobicContact CG-CZ 4.37Å; L251-F253 WeakPolarHBondContact O-CD2 3.27Å; L251-F253 VanDerWaalsContact O-CE2 3.28Å; L251-F253 WeakPolarHBondContact O-CE2 3.43Å; F253-L264 PolarHBondContact N-O 3.22Å; F253-L264 PolarHBondContact O-N 2.78Å; F253-R267 HydrophobicContact CD1-CB 4.34Å; F253-R267 VanDerWaalsContact CD2-N 3.34Å; F253-R267 HydrophobicContact CE1-CB 4.02Å; F253-R267 VanDerWaalsContact CE1-CD 3.47Å; F253-R267 HydrophobicContact CE1-CG 4.37Å; F253-R267 HydrophobicContact CE2-CB 4.25Å; F253-R267 VanDerWaalsContact CE2-N 3.33Å; F253-R267 HydrophobicContact CZ-CB 3.96Å; F253-L270 HydrophobicContact CB-CB 4.04Å; F253-L270 HydrophobicContact CB-CD2 3.73Å; F253-L270 HydrophobicContact CB-CG 4.42Å
254P71.8Confident70.4Confident77 Ų7787 Ų8750%0.547%0.466SS..EExtended strand (participates in β ladder)trans-70.9145.5177.229.9-34.9000111K252 V263K252-P254 WeakPolarHBondContact O-CD 3.32Å; P254-V263 HydrophobicContact CB-CG2 4.44Å
255C75.8Confident70Confident14 Ų1489.1 Ų89.110%0.09548%0.482CS..  trans-67.4128.1167.6-177.50000110.2W257 C260 V262 L270 H273 M274C255-W257 VanDerWaalsContact C-N 3.32Å; C255-W257 VanDerWaalsContact SG-CB 3.52Å; C255-W257 PolarHBondContact SG-N 3.26Å; C255-W257 VanDerWaalsContact SG-N 3.43Å; C255-C260 HydrophobicContact CB-CB 4.01Å; C255-C260 WeakPolarHBondContact SG-CB 3.39Å; C255-V262 HydrophobicContact CB-CB 4.29Å; C255-V262 VanDerWaalsContact CB-O 3.28Å; C255-V262 WeakPolarHBondContact CB-O 3.45Å; C255-V262 PolarHBondContact N-O 3.5Å; C255-L270 HydrophobicContact CB-CD1 4.32Å; C255-H273 VanDerWaalsContact SG-CD2 3.6Å; C255-H273 PolarHBondContact SG-NE2 3.21Å; C255-M274 HydrophobicContact CB-CE 4.43Å; C255-M274 WeakPolarHBondContact SG-CE 3.45Å
256T76.4Confident69.8Low121 Ų12182 Ų8274%0.74246%0.458SS*.  trans-89.42.617754.80000113.1
257W74.9Confident69.7Low114 Ų11481.7 Ų81.743%0.43245%0.448SS..SBendtrans-73.5132.9177-150-82000110.3C255 G259 C260 M274 H277 R278C255-W257 VanDerWaalsContact C-N 3.32Å; C255-W257 VanDerWaalsContact SG-CB 3.52Å; C255-W257 PolarHBondContact SG-N 3.26Å; C255-W257 VanDerWaalsContact SG-N 3.43Å; W257-G259 PolarHBondContact O-N 2.87Å; W257-G259 VanDerWaalsContact O-N 3.13Å; W257-C260 HydrophobicContact CB-CB 4.1Å; W257-C260 PolarHBondContact O-N 3.35Å; W257-M274 HydrophobicContact CB-CE 3.96Å; W257-M274 HydrophobicContact CE3-CE 3.99Å; W257-H277 AromaticContact CD1-CE1 3.88Å; W257-H277 AromaticContact CD1-ND1 3.58Å; W257-H277 HydrophobicContact CD2-CB 3.39Å; W257-H277 AromaticContact CD2-CG 3.49Å; W257-H277 VanDerWaalsContact CD2-CG 3.49Å; W257-H277 AromaticContact CD2-ND1 3.66Å; W257-H277 AromaticContact CE2-CG 3.94Å; W257-H277 AromaticContact CE2-ND1 3.82Å; W257-H277 HydrophobicContact CE3-CB 3.21Å; W257-H277 AromaticContact CE3-CG 3.71Å; W257-H277 HydrophobicContact CG-CB 4.14Å; W257-H277 AromaticContact CG-CE1 3.76Å; W257-H277 AromaticContact CG-CG 3.69Å; W257-H277 AromaticContact CG-ND1 3.5Å; W257-H277 HydrophobicContact CH2-CB 3.56Å; W257-H277 HydrophobicContact CZ2-CB 3.74Å; W257-H277 HydrophobicContact CZ3-CB 3.3Å; W257-H277 AromaticContact NE1-ND1 3.77Å; W257-R278 HydrophobicContact CH2-CG 4.31Å; W257-R278 HydrophobicContact CZ3-CG 4.14Å
258R73.9Confident69.5Low244 Ų24482 Ų8292%0.92145%0.445SS*.THydrogen-bonded Turntrans-52.7120.9-179.9-100.2-163.5-80.8-111.33.4110.7
259G71Confident69.5Low83 Ų8385.8 Ų85.886%0.85646%0.461SS*.THydrogen-bonded Turntrans81.74.4176.800000116.3W257 P261W257-G259 PolarHBondContact O-N 2.87Å; W257-G259 VanDerWaalsContact O-N 3.13Å; G259-P261 WeakPolarHBondContact O-CD 3.47Å
260C73.1Confident70.1Confident25 Ų2584.5 Ų84.517%0.16945%0.446CS..  trans-91.8116.4179.7-169.90000112.1C255 W257 V262 H273 H277C255-C260 HydrophobicContact CB-CB 4.01Å; C255-C260 WeakPolarHBondContact SG-CB 3.39Å; W257-C260 HydrophobicContact CB-CB 4.1Å; W257-C260 PolarHBondContact O-N 3.35Å; C260-V262 PolarHBondContact O-N 2.8Å; C260-H273 PolarHBondContact SG-CE1 3.08Å; C260-H273 PolarHBondContact SG-NE2 3.33Å; C260-H277 PolarHBondContact SG-NE2 3.41Å
261P71.6Confident70.7Confident121 Ų12180.8 Ų80.879%0.78643%0.427SS*.  trans-82.15.6-175.934.6-37000113.5G259 V263G259-P261 WeakPolarHBondContact O-CD 3.47Å; P261-V263 PolarHBondContact O-N 2.78Å
262V71.1Confident71.5Confident29 Ų2981.4 Ų81.418%0.17643%0.427CS..  trans-75.2121.4-168.3172.80000110.8C255 C260 L264C255-V262 HydrophobicContact CB-CB 4.29Å; C255-V262 VanDerWaalsContact CB-O 3.28Å; C255-V262 WeakPolarHBondContact CB-O 3.45Å; C255-V262 PolarHBondContact N-O 3.5Å; C260-V262 PolarHBondContact O-N 2.8Å; V262-L264 HydrophobicContact CG1-CD1 3.62Å; V262-L264 HydrophobicContact CG1-CD2 3.87Å; V262-L264 HydrophobicContact CG1-CG 3.55Å
263V71.1Confident72.1Confident80 Ų8073.9 Ų73.949%0.48540%0.395SS..EExtended strand (participates in β ladder)trans-114.5126.6171.3-178.70000108.5K252 P254 P261K252-V263 HydrophobicContact CB-CG1 3.6Å; K252-V263 HydrophobicContact CD-CG1 4.25Å; K252-V263 HydrophobicContact CG-CG1 4.06Å; P254-V263 HydrophobicContact CB-CG2 4.44Å; P261-V263 PolarHBondContact O-N 2.78Å
264L71.4Confident72.6Confident36 Ų3674.2 Ų74.219%0.18840%0.397CS..EExtended strand (participates in β ladder)trans-117146.3-171.5-67.5160.6000111.7F253 V262 T266 K269 L270 H273F253-L264 PolarHBondContact N-O 3.22Å; F253-L264 PolarHBondContact O-N 2.78Å; V262-L264 HydrophobicContact CG1-CD1 3.62Å; V262-L264 HydrophobicContact CG1-CD2 3.87Å; V262-L264 HydrophobicContact CG1-CG 3.55Å; L264-T266 VanDerWaalsContact C-N 3.26Å; L264-T266 PolarHBondContact O-N 3.31Å; L264-K269 HydrophobicContact CB-CB 4.08Å; L264-K269 HydrophobicContact CD1-CB 4.22Å; L264-K269 WeakPolarHBondContact CD1-O 3.39Å; L264-K269 HydrophobicContact CD2-CB 4.15Å; L264-K269 HydrophobicContact CD2-CD 4.49Å; L264-K269 HydrophobicContact CG-CB 4.36Å; L264-L270 HydrophobicContact CB-CB 4.47Å; L264-L270 VanDerWaalsContact CD1-CA 3.5Å; L264-L270 HydrophobicContact CD1-CB 4.17Å; L264-L270 HydrophobicContact CD1-CD1 4.29Å; L264-H273 HydrophobicContact CD1-CB 3.56Å
265S63.7Low72.9Confident65 Ų6576.1 Ų76.146%0.45540%0.399SS..SBendtrans-75.3-11.9-175.766.80000113.8K269S265-K269 PolarHBondContact OG-NZ 3.3Å
266T65.3Low73Confident23 Ų2380.9 Ų80.914%0.14142%0.415CS..SBendtrans-146.1146.9-18063.10000110.8L264 Q268 K269 L270L264-T266 VanDerWaalsContact C-N 3.26Å; L264-T266 PolarHBondContact O-N 3.31Å; T266-Q268 PolarHBondContact O-N 3.13Å; T266-K269 PolarHBondContact O-N 3.49Å; T266-K269 WeakPolarHBondContact OG1-CG 3.37Å; T266-K269 PolarHBondContact OG1-N 3.27Å; T266-L270 PolarHBondContact O-N 2.79Å; T266-L270 VanDerWaalsContact O-N 3.13Å
267R68.3Low73.1Confident116 Ų11676.9 Ų76.944%0.43839%0.388SS..Hα-helixtrans-57.4-36.6174.6-166.696.3173.3115.4-1111.9F253 L270 N271F253-R267 HydrophobicContact CD1-CB 4.34Å; F253-R267 VanDerWaalsContact CD2-N 3.34Å; F253-R267 HydrophobicContact CE1-CB 4.02Å; F253-R267 VanDerWaalsContact CE1-CD 3.47Å; F253-R267 HydrophobicContact CE1-CG 4.37Å; F253-R267 HydrophobicContact CE2-CB 4.25Å; F253-R267 VanDerWaalsContact CE2-N 3.33Å; F253-R267 HydrophobicContact CZ-CB 3.96Å; R267-L270 WeakPolarHBondContact O-CB 3.43Å; R267-L270 PolarHBondContact O-N 3.2Å; R267-N271 PolarHBondContact O-N 2.8Å; R267-N271 PolarHBondContact O-OD1 3.33Å
268Q66.9Low73.1Confident81 Ų8181 Ų8138%0.37940%0.403SS..Hα-helixtrans-61.9-45.6177.5-179164.611.700112.3T266 L270 N271 E272T266-Q268 PolarHBondContact O-N 3.13Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 3.25Å; Q268-N271 PolarHBondContact O-N 2.72Å; Q268-E272 PolarHBondContact O-N 3.05Å
269K71.7Confident73.1Confident103 Ų10374.5 Ų74.545%0.44839%0.386SS..Hα-helixtrans-62.7-38.9174.8-75.5179-179.9179.60111L264 S265 T266 E272 H273L264-K269 HydrophobicContact CB-CB 4.08Å; L264-K269 HydrophobicContact CD1-CB 4.22Å; L264-K269 WeakPolarHBondContact CD1-O 3.39Å; L264-K269 HydrophobicContact CD2-CB 4.15Å; L264-K269 HydrophobicContact CD2-CD 4.49Å; L264-K269 HydrophobicContact CG-CB 4.36Å; S265-K269 PolarHBondContact OG-NZ 3.3Å; T266-K269 PolarHBondContact O-N 3.49Å; T266-K269 WeakPolarHBondContact OG1-CG 3.37Å; T266-K269 PolarHBondContact OG1-N 3.27Å; K269-E272 PolarHBondContact O-N 3.43Å; K269-H273 VanDerWaalsContact O-CB 3.25Å; K269-H273 WeakPolarHBondContact O-CB 2.79Å; K269-H273 PolarHBondContact O-N 3.12Å
270L75.5Confident72.6Confident7 Ų773.8 Ų73.84%0.03738%0.379CS..Hα-helixtrans-61.8-45174.8177.964.2000111.4F253 C255 L264 T266 R267 Q268 H273 M274F253-L270 HydrophobicContact CB-CB 4.04Å; F253-L270 HydrophobicContact CB-CD2 3.73Å; F253-L270 HydrophobicContact CB-CG 4.42Å; C255-L270 HydrophobicContact CB-CD1 4.32Å; L264-L270 HydrophobicContact CB-CB 4.47Å; L264-L270 VanDerWaalsContact CD1-CA 3.5Å; L264-L270 HydrophobicContact CD1-CB 4.17Å; L264-L270 HydrophobicContact CD1-CD1 4.29Å; T266-L270 PolarHBondContact O-N 2.79Å; T266-L270 VanDerWaalsContact O-N 3.13Å; R267-L270 WeakPolarHBondContact O-CB 3.43Å; R267-L270 PolarHBondContact O-N 3.2Å; Q268-L270 VanDerWaalsContact C-N 3.28Å; Q268-L270 PolarHBondContact O-N 3.25Å; L270-H273 CarbonylContact O-C 3.46Å; L270-H273 WeakPolarHBondContact O-CB 3.34Å; L270-H273 PolarHBondContact O-N 3.48Å; L270-H273 VanDerWaalsContact O-N 3.15Å; L270-M274 HydrophobicContact CD1-CG 3.98Å; L270-M274 HydrophobicContact CD1-SD 4.47Å; L270-M274 HydrophobicContact CG-CG 4.11Å; L270-M274 WeakPolarHBondContact O-CB 3.41Å; L270-M274 WeakPolarHBondContact O-CG 3.33Å; L270-M274 PolarHBondContact O-N 3.45Å
271N75.1Confident71.5Confident86 Ų8679.1 Ų79.146%0.4640%0.399SS..Hα-helixtrans-60.9-47.1176.7-70.3-6.4000111.5R267 Q268 H273 M274 E275R267-N271 PolarHBondContact O-N 2.8Å; R267-N271 PolarHBondContact O-OD1 3.33Å; Q268-N271 PolarHBondContact O-N 2.72Å; N271-H273 VanDerWaalsContact C-N 3.25Å; N271-H273 PolarHBondContact O-N 3.3Å; N271-M274 PolarHBondContact O-N 3.09Å; N271-M274 VanDerWaalsContact O-N 3.16Å; N271-E275 WeakPolarHBondContact O-CG 3.46Å; N271-E275 PolarHBondContact O-N 2.8Å
272E77.7Confident70.2Confident90 Ų9078.2 Ų78.242%0.42140%0.396SS..Hα-helixtrans-60.5-34.1174.3-72.4176.2-168.100112.6Q268 K269 R276Q268-E272 PolarHBondContact O-N 3.05Å; K269-E272 PolarHBondContact O-N 3.43Å; E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 2.82Å; E272-R276 PolarHBondContact O-NH1 3.24Å; E272-R276 VanDerWaalsContact O-NH1 3.13Å
273H79.5Confident68.8Low13 Ų1380.1 Ų80.16%0.0641%0.407CS..Hα-helixtrans-71.9-41174.6173.374.1000112.1C255 C260 L264 K269 L270 N271 E275 R276 H277C255-H273 VanDerWaalsContact SG-CD2 3.6Å; C255-H273 PolarHBondContact SG-NE2 3.21Å; C260-H273 PolarHBondContact SG-CE1 3.08Å; C260-H273 PolarHBondContact SG-NE2 3.33Å; L264-H273 HydrophobicContact CD1-CB 3.56Å; K269-H273 VanDerWaalsContact O-CB 3.25Å; K269-H273 WeakPolarHBondContact O-CB 2.79Å; K269-H273 PolarHBondContact O-N 3.12Å; L270-H273 CarbonylContact O-C 3.46Å; L270-H273 WeakPolarHBondContact O-CB 3.34Å; L270-H273 PolarHBondContact O-N 3.48Å; L270-H273 VanDerWaalsContact O-N 3.15Å; N271-H273 VanDerWaalsContact C-N 3.25Å; N271-H273 PolarHBondContact O-N 3.3Å; H273-E275 VanDerWaalsContact C-N 3.34Å; H273-E275 PolarHBondContact O-N 2.83Å; H273-R276 WeakPolarHBondContact O-CB 3.47Å; H273-R276 PolarHBondContact O-N 3.13Å; H273-H277 AromaticContact CD2-CD2 3.97Å; H273-H277 AromaticContact CE1-CD2 3.87Å; H273-H277 AromaticContact CE1-NE2 3.38Å; H273-H277 PolarHBondContact CE1-NE2 2.97Å; H273-H277 AromaticContact NE2-CD2 3.53Å; H273-H277 AromaticContact NE2-NE2 3.12Å; H273-H277 PolarHBondContact NE2-NE2 3.24Å; H273-H277 VanDerWaalsContact NE2-NE2 3.12Å; H273-H277 PolarHBondContact O-N 3.11Å
274M78.5Confident67.2Low30 Ų3081.7 Ų81.715%0.14842%0.417CS..Hα-helixtrans-64.4-36.6175.3-66.5-86.379.300112.1C255 W257 L270 N271 R276 H277 R278C255-M274 HydrophobicContact CB-CE 4.43Å; C255-M274 WeakPolarHBondContact SG-CE 3.45Å; W257-M274 HydrophobicContact CB-CE 3.96Å; W257-M274 HydrophobicContact CE3-CE 3.99Å; L270-M274 HydrophobicContact CD1-CG 3.98Å; L270-M274 HydrophobicContact CD1-SD 4.47Å; L270-M274 HydrophobicContact CG-CG 4.11Å; L270-M274 WeakPolarHBondContact O-CB 3.41Å; L270-M274 WeakPolarHBondContact O-CG 3.33Å; L270-M274 PolarHBondContact O-N 3.45Å; N271-M274 PolarHBondContact O-N 3.09Å; N271-M274 VanDerWaalsContact O-N 3.16Å; M274-R276 VanDerWaalsContact C-N 3.31Å; M274-R276 PolarHBondContact O-N 3.3Å; M274-H277 PolarHBondContact O-N 3.37Å; M274-R278 PolarHBondContact O-N 3.22Å
275E78.7Confident65.4Low117 Ų11787.8 Ų87.855%0.54744%0.442SS..Hα-helixtrans-64.1-34.5173.1-73.1-158.7153.300112.6N271 H273 H277 R278 L279N271-E275 WeakPolarHBondContact O-CG 3.46Å; N271-E275 PolarHBondContact O-N 2.8Å; H273-E275 VanDerWaalsContact C-N 3.34Å; H273-E275 PolarHBondContact O-N 2.83Å; E275-H277 VanDerWaalsContact C-N 3.31Å; E275-H277 PolarHBondContact O-N 3.42Å; E275-R278 PolarHBondContact O-N 3.16Å; E275-L279 WeakPolarHBondContact O-CB 3.23Å; E275-L279 VanDerWaalsContact O-CG 3.3Å; E275-L279 WeakPolarHBondContact O-CG 3.05Å; E275-L279 PolarHBondContact O-N 3.02Å
276R77.7Confident63.9Low115 Ų11593.5 Ų93.543%0.43446%0.459SS..Hα-helixtrans-63.4-39.1174.6-69.4-177.9-173.291.1-3.3112E272 H273 M274 K281E272-R276 WeakPolarHBondContact O-CG 3.44Å; E272-R276 PolarHBondContact O-N 2.82Å; E272-R276 PolarHBondContact O-NH1 3.24Å; E272-R276 VanDerWaalsContact O-NH1 3.13Å; H273-R276 WeakPolarHBondContact O-CB 3.47Å; H273-R276 PolarHBondContact O-N 3.13Å; M274-R276 VanDerWaalsContact C-N 3.31Å; M274-R276 PolarHBondContact O-N 3.3Å; R276-K281 PolarHBondContact O-N 3.24Å
277H78.2Confident62.4Low37 Ų3797 Ų9717%0.17148%0.484CS..Hα-helixtrans-65.5-42.6173.8-77.3-72.3000112.3W257 C260 H273 M274 E275 L279 G280W257-H277 AromaticContact CD1-CE1 3.88Å; W257-H277 AromaticContact CD1-ND1 3.58Å; W257-H277 HydrophobicContact CD2-CB 3.39Å; W257-H277 AromaticContact CD2-CG 3.49Å; W257-H277 VanDerWaalsContact CD2-CG 3.49Å; W257-H277 AromaticContact CD2-ND1 3.66Å; W257-H277 AromaticContact CE2-CG 3.94Å; W257-H277 AromaticContact CE2-ND1 3.82Å; W257-H277 HydrophobicContact CE3-CB 3.21Å; W257-H277 AromaticContact CE3-CG 3.71Å; W257-H277 HydrophobicContact CG-CB 4.14Å; W257-H277 AromaticContact CG-CE1 3.76Å; W257-H277 AromaticContact CG-CG 3.69Å; W257-H277 AromaticContact CG-ND1 3.5Å; W257-H277 HydrophobicContact CH2-CB 3.56Å; W257-H277 HydrophobicContact CZ2-CB 3.74Å; W257-H277 HydrophobicContact CZ3-CB 3.3Å; W257-H277 AromaticContact NE1-ND1 3.77Å; C260-H277 PolarHBondContact SG-NE2 3.41Å; H273-H277 AromaticContact CD2-CD2 3.97Å; H273-H277 AromaticContact CE1-CD2 3.87Å; H273-H277 AromaticContact CE1-NE2 3.38Å; H273-H277 PolarHBondContact CE1-NE2 2.97Å; H273-H277 AromaticContact NE2-CD2 3.53Å; H273-H277 AromaticContact NE2-NE2 3.12Å; H273-H277 PolarHBondContact NE2-NE2 3.24Å; H273-H277 VanDerWaalsContact NE2-NE2 3.12Å; H273-H277 PolarHBondContact O-N 3.11Å; M274-H277 PolarHBondContact O-N 3.37Å; E275-H277 VanDerWaalsContact C-N 3.31Å; E275-H277 PolarHBondContact O-N 3.42Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 3.48Å; H277-G280 PolarHBondContact O-N 3.29Å
278R74.2Confident60.8Low200 Ų200103.2 Ų103.276%0.75551%0.508SS*.Hα-helixtrans-63.2-36.8176.3-73.9-176.8178.2171.3-1.8113.3W257 M274 E275 G280W257-R278 HydrophobicContact CH2-CG 4.31Å; W257-R278 HydrophobicContact CZ3-CG 4.14Å; M274-R278 PolarHBondContact O-N 3.22Å; E275-R278 PolarHBondContact O-N 3.16Å; R278-G280 PolarHBondContact O-N 3.04Å
279L74.5Confident59.1Low107 Ų107105.7 Ų105.756%0.5652%0.523SS*.THydrogen-bonded Turntrans-82.24.7-177.9-68.2171.7000113.8E275 H277 K281E275-L279 WeakPolarHBondContact O-CB 3.23Å; E275-L279 VanDerWaalsContact O-CG 3.3Å; E275-L279 WeakPolarHBondContact O-CG 3.05Å; E275-L279 PolarHBondContact O-N 3.02Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 3.48Å; L279-K281 HydrophobicContact CB-CD 4.19Å; L279-K281 HydrophobicContact CB-CG 4.08Å; L279-K281 HydrophobicContact CD1-CD 4.49Å; L279-K281 PolarHBondContact O-N 3.2Å
280G61.2Low57.2Low68 Ų68108.1 Ų108.170%0.70153%0.53SS*.THydrogen-bonded Turntrans60.714.4-178.600000114H277 R278 S282H277-G280 PolarHBondContact O-N 3.29Å; R278-G280 PolarHBondContact O-N 3.04Å; G280-S282 PolarHBondContact O-N 2.99Å; G280-S282 VanDerWaalsContact O-N 3.08Å
281K50.1Low55.3Low138 Ų138118.9 Ų118.960%0.657%0.57SS**  trans-79.399.4-178.2-69179.5-176.7174.30107.9R276 L279 V283R276-K281 PolarHBondContact O-N 3.24Å; L279-K281 HydrophobicContact CB-CD 4.19Å; L279-K281 HydrophobicContact CB-CG 4.08Å; L279-K281 HydrophobicContact CD1-CD 4.49Å; L279-K281 PolarHBondContact O-N 3.2Å; K281-V283 PolarHBondContact O-N 3.16Å; K281-V283 VanDerWaalsContact O-N 3.16Å
282S44.4Very low53.5Low101 Ų101122.1 Ų122.171%0.70659%0.587SS**  trans-38.7117.5172.5170.30000111.4G280 V284G280-S282 PolarHBondContact O-N 2.99Å; G280-S282 VanDerWaalsContact O-N 3.08Å; S282-V284 PolarHBondContact O-N 3.11Å; S282-V284 VanDerWaalsContact OG-CG2 3.26Å; S282-V284 WeakPolarHBondContact OG-CG2 3.26Å
283V40.8Very low51.3Low69 Ų69125 Ų12542%0.41861%0.605SS.*  trans-8071.1176.6-166.30000107.8K281 F285K281-V283 PolarHBondContact O-N 3.16Å; K281-V283 VanDerWaalsContact O-N 3.16Å; V283-F285 HydrophobicContact CG1-CD2 4.34Å; V283-F285 HydrophobicContact CG1-CE2 4.49Å; V283-F285 PolarHBondContact O-N 3.4Å; V283-F285 VanDerWaalsContact O-N 3.07Å
284V38.3Very low49.5Very low113 Ų113129.4 Ų129.469%0.68564%0.636SS**  trans-71.5103.6170.9-176.10000108.1S282 K286S282-V284 PolarHBondContact O-N 3.11Å; S282-V284 VanDerWaalsContact OG-CG2 3.26Å; S282-V284 WeakPolarHBondContact OG-CG2 3.26Å; V284-K286 PolarHBondContact O-N 3.16Å; V284-K286 VanDerWaalsContact O-N 3.07Å
285F32.6Very low47.5Very low164 Ų164139.2 Ų139.272%0.71967%0.671SS**  trans-63.7104.3167.8-106.6-96.2000109V283 S287V283-F285 HydrophobicContact CG1-CD2 4.34Å; V283-F285 HydrophobicContact CG1-CE2 4.49Å; V283-F285 PolarHBondContact O-N 3.4Å; V283-F285 VanDerWaalsContact O-N 3.07Å; F285-S287 VanDerWaalsContact C-N 3.27Å; F285-S287 PolarHBondContact O-N 3.18Å
286K32.8Very low45.5Very low186 Ų186141.8 Ų141.881%0.80969%0.688SS**  trans-73.790156.7-84.4179.9175.2169.30107.2V284 R288V284-K286 PolarHBondContact O-N 3.16Å; V284-K286 VanDerWaalsContact O-N 3.07Å; K286-R288 VanDerWaalsContact C-N 3.28Å; K286-R288 PolarHBondContact O-N 2.88Å
287S33.1Very low43.5Very low97 Ų97142.8 Ų142.868%0.67870%0.702SS**  trans-61.798.9157.7630000106.6F285 N289F285-S287 VanDerWaalsContact C-N 3.27Å; F285-S287 PolarHBondContact O-N 3.18Å; S287-N289 PolarHBondContact O-N 3.13Å
288R34.6Very low41.7Very low245 Ų245146.4 Ų146.493%0.92573%0.732SS**  trans-75.571.5161.3-97.1-178.7166.6146.7-4.6106.8K286K286-R288 VanDerWaalsContact C-N 3.28Å; K286-R288 PolarHBondContact O-N 2.88Å
289N31.9Very low40.3Very low133 Ų133141.5 Ų141.571%0.71173%0.728SS**  trans-63.1134.7161.7-138.82.1000106.8S287 R291S287-N289 PolarHBondContact O-N 3.13Å; N289-R291 PolarHBondContact O-N 2.77Å
290R31Very low38.7Very low155 Ų155147.2 Ų147.259%0.58574%0.742SS**  trans-42.8110.3175.2-73.6177.8170169.9-1.5109.6N318 D320R290-N318 VanDerWaalsContact CZ-OD1 3.22Å; R290-N318 PolarHBondContact NH1-OD1 3.3Å; R290-N318 PolarHBondContact NH2-OD1 3.34Å; R290-D320 IonicContact CZ-OD2 3.96Å; R290-D320 IonicContact NE-OD2 3.71Å; R290-D320 IonicContact NH2-OD1 3.62Å; R290-D320 IonicContact NH2-OD2 3.16Å; R290-D320 PolarHBondContact NH2-OD2 3.49Å
291R37.2Very low37.7Very low233 Ų233152.5 Ų152.588%0.87975%0.746SS**  trans-100.897.3159.7-73.4-168.8-152.5172.64.8107.5N289N289-R291 PolarHBondContact O-N 2.77Å
292N36.8Very low37.2Very low153 Ų153152.6 Ų152.682%0.81875%0.751SS**  trans-48133.6143.5-77.8-20000108.8
293N32.2Very low37.1Very low150 Ų150153.7 Ų153.780%0.80275%0.749SS**  trans-13.9120165-156.722.3000116.7
294P40.5Very low37.2Very low107 Ų107157.1 Ų157.170%0.69577%0.766SS**  trans-93.3109.8152.324.1-8.9000109.4
295R37.1Very low37.5Very low236 Ų236158.7 Ų158.789%0.89177%0.77SS**  trans21.5112.4139.2-64177.6176.3178.3-3.2115.8
296N36.6Very low38.3Very low170 Ų170157.8 Ų157.891%0.90977%0.773SS**  trans-84.6118.4147.9-139.820.1000106.8
297D35Very low39Very low136 Ų136155.6 Ų155.673%0.72777%0.77SS**  trans-69.9126.6-179.4-171.5-5.1000110.3
298S41.9Very low39.7Very low113 Ų113157.8 Ų157.879%0.7977%0.774SS**  trans-160.382.1162-75.60000108.4
299S44.1Very low40.2Very low97 Ų97152.5 Ų152.568%0.67876%0.764SS**  trans42.5109.5138.1-65.70000119
300R40Very low40.8Very low228 Ų228151.3 Ų151.386%0.8676%0.758SS**  145.4120.4124.9-79.8164.5-172.6175.63.3113.9
301K40.8Very low41.6Very low179 Ų179151.6 Ų151.678%0.77876%0.763SS**  trans71.9114.7139.3-63.5-172176.5-174.40118
302I40.2Very low41.7Very low139 Ų139150 Ų15071%0.71376%0.762SS**  71.3120.481.9-74172.4000108.5
303D41.7Very low41.5Very low124 Ų124149.3 Ų149.366%0.66376%0.759SS**  cis-155.8146.113.9-67.4-36.7000107.5
304D43.3Very low41.8Very low142 Ų142151.8 Ų151.876%0.75976%0.763SS**  77.1148.7103.2-62.3-31.1000117.5
305D45.1Very low41.5Very low145 Ų145153.6 Ų153.678%0.77577%0.766SS**  trans97.686.2165.9-51.9-23000119.8
306D47.8Very low41.2Very low146 Ų146149.8 Ų149.878%0.78176%0.764SS**  55.2147.5109.7-67.2-22.4000124.6
307D47.5Very low41Very low139 Ų139148.8 Ų148.874%0.74376%0.758SS**  trans93.994.5153.7-62.2-19.8000122.2
308D48.2Very low40.8Very low143 Ų143147.9 Ų147.977%0.76575%0.753SS**  78.9121109.9-90.3-16.1000124.1
309D45.6Very low40.5Very low135 Ų135149.5 Ų149.572%0.72275%0.749SS**  trans91.2108.5130.5-110.8-11.6000123.6
310D45Very low40.1Very low108 Ų108150.3 Ų150.358%0.57875%0.745SS**  104.7135.1116.3-131-2.6000122.3
311K46.2Very low39.5Very low160 Ų160149.9 Ų149.970%0.69675%0.745SS**  trans67.8101.9156.8-79.4156.7-175.11280120.8
312K41Very low38.9Very low199 Ų199149.6 Ų149.687%0.86574%0.739SS**  161.8120.486.5-104.5169.5-179.1170.90113.2
313N32.2Very low38.4Very low139 Ų139150.5 Ų150.574%0.74374%0.74SS**  trans-32.1127.2160.3-173.36.2000116.2
314K38.6Very low38Very low203 Ų203149.9 Ų149.988%0.88374%0.742SS**  trans-153100.3144-108.5173.2-170.4171.80110.5
315N34.2Very low37.3Very low144 Ų144148 Ų14877%0.7775%0.746SS**  trans28.2111.6149.4-74.6-9.5000119N317N315-N317 PolarHBondContact O-N 2.71Å
316N30.1Very low36.8Very low157 Ų157145.7 Ų145.784%0.8474%0.741SS**  trans-51.5124.4154.4-65.2-43.8000111.9
317N33.5Very low36Very low148 Ų148146.3 Ų146.379%0.79174%0.739SS**  trans-141.1102.4143.1-91-23.2000107.7N315 E319N315-N317 PolarHBondContact O-N 2.71Å; N317-E319 PolarHBondContact O-N 2.88Å; N317-E319 VanDerWaalsContact O-N 3.14Å
318N29.5Very low35.2Very low117 Ų117146.2 Ų146.263%0.62674%0.738SS**  trans-7095162.9-85.6-26.3000108.2R290R290-N318 VanDerWaalsContact CZ-OD1 3.22Å; R290-N318 PolarHBondContact NH1-OD1 3.3Å; R290-N318 PolarHBondContact NH2-OD1 3.34Å
319E35.7Very low34.6Very low148 Ų148142.5 Ų142.569%0.69272%0.724SS**  trans-112.870.1160.6-70.5-169.9163.600108.5N317 Y321N317-E319 PolarHBondContact O-N 2.88Å; N317-E319 VanDerWaalsContact O-N 3.14Å; E319-Y321 PolarHBondContact O-N 3.3Å
320D35.6Very low33.9Very low113 Ų113143.1 Ų143.160%0.60473%0.726SS**  trans-74.9122.2170-82.6-32.1000109.8R290R290-D320 IonicContact CZ-OD2 3.96Å; R290-D320 IonicContact NE-OD2 3.71Å; R290-D320 IonicContact NH2-OD1 3.62Å; R290-D320 IonicContact NH2-OD2 3.16Å; R290-D320 PolarHBondContact NH2-OD2 3.49Å
321Y27.9Very low33.4Very low219 Ų219145.3 Ų145.386%0.85974%0.736SS**  trans86.465.1141.7-143.7-99000118.7E319E319-Y321 PolarHBondContact O-N 3.3Å
322W27.5Very low32.8Very low173 Ų173141.6 Ų141.666%0.65573%0.734SS**  trans-148.1105.9148.749.9-84000107.5
323E31.1Very low32.4Very low158 Ų158135.8 Ų135.874%0.73871%0.712SS**SBendtrans155.788.2162.2-93172.3175.700109
324T31.8Very low32.3Very low112 Ų112135.7 Ų135.769%0.68771%0.711SS**SBendtrans-174.5-8.415725.80000112.6S326T324-S326 PolarHBondContact O-N 3.05Å
325A29.1Very low32Very low102 Ų102131.3 Ų131.384%0.84371%0.706SS**SBendtrans-82.7-1-176.800000116.2
326S34.7Very low31.9Very low97 Ų97131.9 Ų131.968%0.67871%0.709SS**SBendtrans-111.9-19.2-175.4169.10000115T324T324-S326 PolarHBondContact O-N 3.05Å
327Q31.5Very low32.3Very low159 Ų159127.3 Ų127.374%0.74369%0.687SS**SBendtrans-94.9-13.1-168-67.1-177.7-3.800115.4
328N30.4Very low32.5Very low136 Ų136126.1 Ų126.173%0.72768%0.678SS**THydrogen-bonded Turntrans-97.58.8-175.9-72.3-29.3000115.3
329S35Very low32.8Very low65 Ų65126.9 Ų126.946%0.45568%0.682SS.*THydrogen-bonded Turntrans-99.6-8-178.6-53.70000114
330I32.2Very low32.7Very low149 Ų149124.1 Ų124.176%0.76468%0.678SS**SBendtrans-106.5-5.6-173.7-68173.9000113.5
331I34Very low32.6Very low154 Ų154123.7 Ų123.779%0.7968%0.684SS**SBendtrans-101.95.2-176.3-63.8177.9000113.6
332A33.3Very low32.9Very low81 Ų81117.3 Ų117.367%0.66968%0.677SS**SBendtrans-116.615.4-17200000116.9
333L32Very low33Very low77 Ų77117.1 Ų117.140%0.40369%0.689SS.*  trans-124.320.9-172.3-63.2170000116.5I25I25-L333 HydrophobicContact CD1-CD1 3.75Å; I25-L333 HydrophobicContact CD1-CD2 3.39Å; I25-L333 HydrophobicContact CD1-CG 4.2Å; I25-L333 HydrophobicContact CG2-CD1 3.74Å
334L30.9Very low33Very low138 Ų138119 Ų11972%0.72370%0.697SS**  trans-119.461.4174.8-66.1177.3000111.7V337L334-V337 HydrophobicContact CD2-CG2 3.68Å
335S33.2Very low33.4Very low110 Ų110121.4 Ų121.477%0.76970%0.704SS**SBendtrans-14011.5171.4-63.10000116.1
336D31.8Very low33.4Very low157 Ų157131 Ų13184%0.8472%0.721SS**SBendtrans-155.842.8167.3-76.1-45.4000110.7M338D336-M338 PolarHBondContact O-N 3.4Å
337V38.6Very low33.3Very low61 Ų61132.7 Ų132.737%0.3772%0.723SS.*  trans-79.2107.9178.8-170.20000108.5M11 L334 D339M11-V337 HydrophobicContact CE-CG2 4.2Å; L334-V337 HydrophobicContact CD2-CG2 3.68Å; V337-D339 WeakPolarHBondContact CG1-OD1 3.42Å
338M36.8Very low33.4Very low122 Ų122131.3 Ų131.360%0.60172%0.722SS**  trans-88.6111.6154.7-72.3-176.8-70.300106.1D336 C340D336-M338 PolarHBondContact O-N 3.4Å; M338-C340 PolarHBondContact O-N 3.08Å
339D36.6Very low33.6Very low134 Ų134131.1 Ų131.172%0.71772%0.722SS**  trans-63.7116.9169.5-70.7-36.7000108.1V337 S341V337-D339 WeakPolarHBondContact CG1-OD1 3.42Å; D339-S341 VanDerWaalsContact C-N 3.28Å; D339-S341 PolarHBondContact O-N 2.99Å
340C31.9Very low33.5Very low89 Ų89134.9 Ų134.960%0.60174%0.737SS**  trans-98.244.6177.3-156.20000110.2M338M338-C340 PolarHBondContact O-N 3.08Å
341S34.6Very low33.6Very low104 Ų104134.1 Ų134.173%0.72774%0.736SS**  trans-135.663.2179.260.80000110.4D339D339-S341 VanDerWaalsContact C-N 3.28Å; D339-S341 PolarHBondContact O-N 2.99Å
342A33.2Very low33.6Very low86 Ų86132.7 Ų132.771%0.71173%0.732SS**  trans-165.888.516400000107.3
343N29.9Very low33.6Very low169 Ų169136.4 Ų136.490%0.90474%0.736SS**  trans177.778.2154.9-90.7-7.2000108.7
344Q30.8Very low33.7Very low196 Ų196141 Ų14192%0.91676%0.762SS**  trans-151.167.8160.1-115.6179.9-0.600107.1
345I39.9Very low34Very low164 Ų164141.3 Ų141.384%0.84177%0.765SS**  trans-144.1109.6159.4-49.7179.1000105.3
346Y30.2Very low34Very low303 Ų303144.1 Ų144.1100%1.18877%0.765SS**  trans-83.80151.4-103.9-81.4000107.6

Retrieved 346 of 346 residues in 402.5 ms (Link to these results)

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