A0A060WSH8_ONCMY Loading...

Leucine rich repeat containing 3B

AlphaFold DB (A0A4W5PJJ0), UniProt , Accession A0A060WSH8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LRRC3B, Length 273 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
1M55.3Low60.6Low222 Ų222118.6 Ų118.6100%1.09460%0.603SS**  0115.60-79157.1154.600107.1
2T70.1Confident61.7Low71 Ų71116 Ų11644%0.43659%0.59SS.*  trans-76.9154.8-175.766.10000110L4 D5 L6T2-L4 PolarHBondContact O-N 3.48Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-D5 PolarHBondContact N-OD2 3.48Å; T2-D5 PolarHBondContact O-N 3.27Å; T2-D5 PolarHBondContact OG1-N 3.05Å; T2-D5 PolarHBondContact OG1-OD2 3.26Å; T2-L6 PolarHBondContact O-N 3.07Å
3P60.9Low62.8Low118 Ų118111.8 Ų111.877%0.76658%0.575SS**Hα-helixtrans-58.3-23.9175.121.4-31.8000112.7W7P3-W7 WeakPolarHBondContact O-CB 3.48Å; P3-W7 PolarHBondContact O-N 3.23Å
4L59.5Low63.7Low122 Ų122113.4 Ų113.464%0.63958%0.581SS**Hα-helixtrans-66.1-43.1173.3-139.889.1000112T2 L6 W7 L8T2-L4 PolarHBondContact O-N 3.48Å; T2-L4 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.42Å; L4-W7 PolarHBondContact O-N 2.95Å; L4-L8 HydrophobicContact CD2-CD1 4.36Å; L4-L8 HydrophobicContact CG-CD1 4.17Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 PolarHBondContact O-N 3.41Å
5D57Low64.5Low88 Ų88110.9 Ų110.947%0.47158%0.576SS.*Hα-helixtrans-65.5-38179.8-59-44.3000111.7T2 S9T2-D5 PolarHBondContact N-OD2 3.48Å; T2-D5 PolarHBondContact O-N 3.27Å; T2-D5 PolarHBondContact OG1-N 3.05Å; T2-D5 PolarHBondContact OG1-OD2 3.26Å; D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-N 3.47Å; D5-S9 PolarHBondContact O-OG 3.12Å
6L59Low65.3Low102 Ų102110.3 Ų110.353%0.53457%0.574SS.*Hα-helixtrans-69.1-36.8177.7-144.280.5000111.4T2 L4 S9 R10T2-L6 PolarHBondContact O-N 3.07Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.42Å; L6-S9 PolarHBondContact O-OG 2.67Å; L6-R10 PolarHBondContact O-N 3.35Å
7W57.4Low66Low191 Ų191110.2 Ų110.272%0.72357%0.573SS**Hα-helixtrans-70.3-44.5176.4-146.983.1000111.6P3 L4 S9 R10 S11P3-W7 WeakPolarHBondContact O-CB 3.48Å; P3-W7 PolarHBondContact O-N 3.23Å; L4-W7 PolarHBondContact O-N 2.95Å; W7-S9 PolarHBondContact O-N 2.6Å; W7-R10 PolarHBondContact O-N 3.02Å; W7-S11 VanDerWaalsContact O-CB 3.29Å; W7-S11 WeakPolarHBondContact O-CB 3.5Å; W7-S11 PolarHBondContact O-N 3.43Å; W7-S11 PolarHBondContact O-OG 3.44Å
8L56.7Low66.7Low83 Ų83110.1 Ų110.144%0.43557%0.573SS.*Hα-helixtrans-60.5-43.9173.7-94.387000111.8L4 R10 S11 I12L4-L8 HydrophobicContact CD2-CD1 4.36Å; L4-L8 HydrophobicContact CG-CD1 4.17Å; L4-L8 WeakPolarHBondContact O-CD1 3.33Å; L4-L8 PolarHBondContact O-N 3.41Å; L8-R10 PolarHBondContact O-N 2.91Å; L8-S11 PolarHBondContact O-N 3.28Å; L8-I12 HydrophobicContact CB-CD1 4Å; L8-I12 HydrophobicContact CD2-CD1 4.06Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 2.87Å; L8-I12 VanDerWaalsContact O-N 3.17Å
9S61.5Low67.3Low71 Ų71110.3 Ų110.350%0.49757%0.571SS.*Hα-helixtrans-63.1-26.2-177.876.50000114.1D5 L6 W7 P13D5-S9 WeakPolarHBondContact O-CB 3.4Å; D5-S9 PolarHBondContact O-N 3.47Å; D5-S9 PolarHBondContact O-OG 3.12Å; L6-S9 PolarHBondContact O-OG 2.67Å; W7-S9 PolarHBondContact O-N 2.6Å; S9-P13 WeakPolarHBondContact O-CD 3.25Å; S9-P13 VanDerWaalsContact O-CG 3.22Å; S9-P13 WeakPolarHBondContact O-CG 3.47Å
10R62.3Low67.7Low193 Ų193107.4 Ų107.473%0.72856%0.56SS**Hα-helixtrans-96.8-35.5-179.2-73.5-175.7165.5-163.4-3.8113L6 W7 L8 P13L6-R10 PolarHBondContact O-N 3.35Å; W7-R10 PolarHBondContact O-N 3.02Å; L8-R10 PolarHBondContact O-N 2.91Å; R10-P13 WeakPolarHBondContact O-CG 3.34Å
11S67Low67.9Low44 Ų44107.9 Ų107.931%0.30856%0.563SS.*Hα-helixtrans-79.5-36.2-175.6-58.70000113.2W7 L8 M14 C15W7-S11 VanDerWaalsContact O-CB 3.29Å; W7-S11 WeakPolarHBondContact O-CB 3.5Å; W7-S11 PolarHBondContact O-N 3.43Å; W7-S11 PolarHBondContact O-OG 3.44Å; L8-S11 PolarHBondContact O-N 3.28Å; S11-M14 PolarHBondContact O-N 3.39Å; S11-C15 WeakPolarHBondContact O-CB 3.16Å; S11-C15 PolarHBondContact O-N 2.94Å
12I73.4Confident68.8Low87 Ų87100.9 Ų100.945%0.44653%0.533SS..Hα-helixtrans-63.6-49.7179.6-62.9167.7000112.9L8 M14 C15 L16L8-I12 HydrophobicContact CB-CD1 4Å; L8-I12 HydrophobicContact CD2-CD1 4.06Å; L8-I12 HydrophobicContact CG-CD1 4.14Å; L8-I12 WeakPolarHBondContact O-CB 3.35Å; L8-I12 WeakPolarHBondContact O-CD1 3.49Å; L8-I12 WeakPolarHBondContact O-CG1 3.32Å; L8-I12 PolarHBondContact O-N 2.87Å; L8-I12 VanDerWaalsContact O-N 3.17Å; I12-M14 VanDerWaalsContact C-N 3.28Å; I12-M14 PolarHBondContact O-N 3.47Å; I12-C15 PolarHBondContact O-N 3.38Å; I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.19Å
13P76.2Confident68.6Low61 Ų61102.7 Ų102.740%0.39654%0.539SS..Hα-helixtrans-66-32.8179.425-33.7000112.1S9 R10 L16 L17S9-P13 WeakPolarHBondContact O-CD 3.25Å; S9-P13 VanDerWaalsContact O-CG 3.22Å; S9-P13 WeakPolarHBondContact O-CG 3.47Å; R10-P13 WeakPolarHBondContact O-CG 3.34Å; P13-L16 PolarHBondContact O-N 3.5Å; P13-L17 WeakPolarHBondContact O-CB 3.47Å; P13-L17 WeakPolarHBondContact O-CD1 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.04Å; P13-L17 PolarHBondContact O-N 3.48Å
14M75.8Confident68.7Low135 Ų135102 Ų10267%0.66553%0.527SS*.Hα-helixtrans-67.6-39.2175.7-143.4-146-147.700111.6S11 I12 L17 L18S11-M14 PolarHBondContact O-N 3.39Å; I12-M14 VanDerWaalsContact C-N 3.28Å; I12-M14 PolarHBondContact O-N 3.47Å; M14-L17 PolarHBondContact O-N 3.24Å; M14-L18 PolarHBondContact O-N 2.96Å
15C75.7Confident68.8Low75 Ų7599.5 Ų99.551%0.50752%0.524SS..Hα-helixtrans-68.4-40.8176.6-153.70000111.9S11 I12 L18 Q19S11-C15 WeakPolarHBondContact O-CB 3.16Å; S11-C15 PolarHBondContact O-N 2.94Å; I12-C15 PolarHBondContact O-N 3.38Å; C15-L18 PolarHBondContact O-N 2.96Å; C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 WeakPolarHBondContact O-CG 3.4Å; C15-Q19 PolarHBondContact O-N 3.1Å
16L76.6Confident69Low102 Ų102101.5 Ų101.553%0.53453%0.534SS..Hα-helixtrans-65.3-38.9173.9-70.7170.5000112I12 P13 Q19 S20I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CG 3.42Å; I12-L16 PolarHBondContact O-N 3.19Å; P13-L16 PolarHBondContact O-N 3.5Å; L16-Q19 PolarHBondContact O-N 3.46Å; L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 PolarHBondContact O-OG 3.03Å
17L78.5Confident68.9Low108 Ų108101 Ų10157%0.56554%0.538SS*.Hα-helixtrans-63.1-44.7172.6-80.9163.9000111.2P13 M14 S20 L21P13-L17 WeakPolarHBondContact O-CB 3.47Å; P13-L17 WeakPolarHBondContact O-CD1 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.04Å; P13-L17 PolarHBondContact O-N 3.48Å; M14-L17 PolarHBondContact O-N 3.24Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 3.49Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.21Å
18L78Confident68.6Low109 Ų10998.4 Ų98.457%0.57153%0.532SS*.Hα-helixtrans-62.7-44.1176.5-129.5101.1000111.6M14 C15 S20 L21 V22M14-L18 PolarHBondContact O-N 2.96Å; C15-L18 PolarHBondContact O-N 2.96Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.06Å; L18-L21 PolarHBondContact O-N 3.18Å; L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.38Å
19Q77.8Confident68.3Low114 Ų11498 Ų9853%0.53353%0.534SS..Hα-helixtrans-62.6-40.3175.1-80.1-179.9-34.400111.8C15 L16 V22 L23C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 WeakPolarHBondContact O-CG 3.4Å; C15-Q19 PolarHBondContact O-N 3.1Å; L16-Q19 PolarHBondContact O-N 3.46Å; Q19-V22 PolarHBondContact O-N 3.01Å; Q19-L23 VanDerWaalsContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.09Å
20S75.8Confident67.5Low52 Ų52100 Ų10036%0.36455%0.548SS..Hα-helixtrans-66.4-38.3175.575.50000112.3L16 L17 L18 L23 M24L16-S20 WeakPolarHBondContact O-CB 3.44Å; L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 PolarHBondContact O-OG 3.03Å; L17-S20 WeakPolarHBondContact CA-OG 3.33Å; L17-S20 PolarHBondContact O-N 3.41Å; L17-S20 PolarHBondContact O-OG 3.49Å; L18-S20 VanDerWaalsContact C-N 3.34Å; L18-S20 PolarHBondContact O-N 3.06Å; S20-L23 PolarHBondContact O-N 3.07Å; S20-M24 WeakPolarHBondContact O-CB 3.46Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.02Å
21L72.1Confident66.8Low117 Ų11794.7 Ų94.761%0.61355%0.546SS*.Hα-helixtrans-66.2-41.1174.4-95.4152.7000111.8L17 L18 M24 A25L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 3.21Å; L18-L21 PolarHBondContact O-N 3.18Å; L21-M24 PolarHBondContact O-N 3.41Å; L21-A25 VanDerWaalsContact O-CB 3.3Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.35Å
22V73.6Confident66.3Low76 Ų7695.4 Ų95.446%0.46155%0.551SS.*Hα-helixtrans-68.4-42175.4171.40000110.7L18 Q19 M24 A25 L26L18-V22 WeakPolarHBondContact O-CB 3.31Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.34Å; L18-V22 PolarHBondContact O-N 3.38Å; Q19-V22 PolarHBondContact O-N 3.01Å; V22-M24 VanDerWaalsContact C-N 3.35Å; V22-M24 PolarHBondContact O-N 3Å; V22-A25 PolarHBondContact O-N 3.38Å; V22-L26 HydrophobicContact CG1-CD1 3.66Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 WeakPolarHBondContact O-CD1 3.45Å; V22-L26 WeakPolarHBondContact O-CG 3.32Å; V22-L26 PolarHBondContact O-N 2.87Å
23L66.8Low66Low108 Ų10898.2 Ų98.257%0.56556%0.564SS**Hα-helixtrans-63.1-39.1173.6-86156.9000112Q19 S20 L26 C27Q19-L23 VanDerWaalsContact O-CB 3.27Å; Q19-L23 WeakPolarHBondContact O-CB 3.4Å; Q19-L23 WeakPolarHBondContact O-CD1 3.43Å; Q19-L23 WeakPolarHBondContact O-CG 3.46Å; Q19-L23 PolarHBondContact O-N 3.09Å; S20-L23 PolarHBondContact O-N 3.07Å; L23-L26 PolarHBondContact O-N 3.31Å; L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.43Å; L23-C27 PolarHBondContact O-SG 3.33Å; L23-C27 VanDerWaalsContact O-SG 3.35Å
24M62.7Low66.3Low104 Ų10497.5 Ų97.551%0.51256%0.56SS.*Hα-helixtrans-66.5-45.3173-72.9-66.1-84.400110.8S20 L21 V22 L26 C27 F28S20-M24 WeakPolarHBondContact O-CB 3.46Å; S20-M24 WeakPolarHBondContact O-CG 3.44Å; S20-M24 PolarHBondContact O-N 3.02Å; L21-M24 PolarHBondContact O-N 3.41Å; V22-M24 VanDerWaalsContact C-N 3.35Å; V22-M24 PolarHBondContact O-N 3Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.47Å; M24-C27 CarbonylContact O-C 3.52Å; M24-C27 PolarHBondContact O-N 2.89Å; M24-F28 HydrophobicContact CB-CD2 4.45Å; M24-F28 HydrophobicContact CB-CE2 4.19Å; M24-F28 HydrophobicContact CE-CE2 3.64Å; M24-F28 HydrophobicContact CE-CZ 3.84Å; M24-F28 WeakPolarHBondContact O-CD2 3.45Å; M24-F28 PolarHBondContact O-N 3.45Å; M24-F28 HydrophobicContact SD-CE2 4.35Å
25A61.9Low66.7Low69 Ų6991.6 Ų91.657%0.5753%0.532SS*.Hα-helixtrans-63.8-31.6175.800000113.3L21 V22 F28L21-A25 VanDerWaalsContact O-CB 3.3Å; L21-A25 WeakPolarHBondContact O-CB 3.43Å; L21-A25 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 3.38Å; A25-F28 VanDerWaalsContact O-O 3.14Å
26L61.1Low67.1Low131 Ų13197.6 Ų97.669%0.68655%0.549SS*.Hα-helixtrans-80.1-29.6173.6-69.6166.6000112.4V22 L23 M24V22-L26 HydrophobicContact CG1-CD1 3.66Å; V22-L26 HydrophobicContact CG1-CG 4.28Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.44Å; V22-L26 WeakPolarHBondContact O-CD1 3.45Å; V22-L26 WeakPolarHBondContact O-CG 3.32Å; V22-L26 PolarHBondContact O-N 2.87Å; L23-L26 PolarHBondContact O-N 3.31Å; M24-L26 VanDerWaalsContact C-N 3.29Å; M24-L26 PolarHBondContact O-N 3.47Å
27C57.1Low67.3Low92 Ų9295.2 Ų95.262%0.62255%0.549SS*.Hα-helixtrans-81.9-14.6174.2-81.50000113.8L23 M24 P29L23-C27 WeakPolarHBondContact O-CB 3.33Å; L23-C27 PolarHBondContact O-N 3.43Å; L23-C27 PolarHBondContact O-SG 3.33Å; L23-C27 VanDerWaalsContact O-SG 3.35Å; M24-C27 CarbonylContact O-C 3.52Å; M24-C27 PolarHBondContact O-N 2.89Å; C27-P29 WeakPolarHBondContact O-CD 3.37Å
28F49.6Very low67.9Low135 Ų13590.9 Ų90.959%0.59253%0.527SS*.SBendtrans-96.477.5161-62.8-66000107.8M24 A25 S30M24-F28 HydrophobicContact CB-CD2 4.45Å; M24-F28 HydrophobicContact CB-CE2 4.19Å; M24-F28 HydrophobicContact CE-CE2 3.64Å; M24-F28 HydrophobicContact CE-CZ 3.84Å; M24-F28 WeakPolarHBondContact O-CD2 3.45Å; M24-F28 PolarHBondContact O-N 3.45Å; M24-F28 HydrophobicContact SD-CE2 4.35Å; A25-F28 VanDerWaalsContact O-O 3.14Å; F28-S30 PolarHBondContact O-N 2.94Å
29P50.7Low68.4Low74 Ų7490 Ų9048%0.48153%0.527SS..  trans-53123.7159.526.4-30000104.7C27 A31C27-P29 WeakPolarHBondContact O-CD 3.37Å; P29-A31 PolarHBondContact O-N 2.93Å
30S43.9Very low68.9Low113 Ų11386.1 Ų86.179%0.7951%0.512SS*.  trans-19.8105.8-178.7-55.30000109.1F28 S32F28-S30 PolarHBondContact O-N 2.94Å; S30-S32 VanDerWaalsContact C-N 3.34Å; S30-S32 PolarHBondContact O-N 3.36Å
31A47.8Very low69.4Low83 Ų8388.6 Ų88.669%0.68652%0.517SS*.  trans-46.2108.5-176.600000106.1P29 M33P29-A31 PolarHBondContact O-N 2.93Å; A31-M33 PolarHBondContact O-N 3.5Å
32S58.3Low69.7Low58 Ų5889.7 Ų89.741%0.40651%0.513SS..  trans-66.893.9178.547.90000103.3S30 C34S30-S32 VanDerWaalsContact C-N 3.34Å; S30-S32 PolarHBondContact O-N 3.36Å; S32-C34 PolarHBondContact O-N 3.36Å
33M65.6Low69.3Low146 Ų14688.3 Ų88.372%0.71951%0.51SS*.  trans-63.996.6-176.5-73.3179.664.300105.4A31A31-M33 PolarHBondContact O-N 3.5Å
34C82.8Confident68.8Low46 Ų4692.9 Ų92.931%0.31152%0.519SS..PPolyproline II helixtrans-75.6134.8175.7-1610000107S32 C38 C40S32-C34 PolarHBondContact O-N 3.36Å; C34-C38 VanDerWaalsContact SG-C 3.56Å; C34-C38 PolarHBondContact SG-O 3.37Å; C34-C40 WeakPolarHBondContact CA-SG 3.48Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.3Å; C34-C40 WeakPolarHBondContact SG-CB 3.49Å; C34-C40 PolarHBondContact SG-N 2.9Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.14Å
35P85Confident68.4Low12 Ų1292.8 Ų92.88%0.07853%0.527CS..PPolyproline II helixtrans-58.3151.1178.2-14.421.5000111.2G37 C38 P75 L78P35-G37 PolarHBondContact O-N 2.77Å; P35-C38 HydrophobicContact CB-CB 4.19Å; P35-C38 HydrophobicContact CG-CB 4.21Å; P35-C38 WeakPolarHBondContact O-CB 2.92Å; P35-C38 PolarHBondContact O-N 2.91Å; P35-P75 HydrophobicContact CB-CB 3.74Å; P35-P75 HydrophobicContact CB-CG 4.08Å; P35-P75 HydrophobicContact CG-CB 3.95Å; P35-P75 HydrophobicContact CG-CG 4.37Å; P35-L78 HydrophobicContact CG-CD2 4.03Å
36K83.6Confident67.7Low201 Ų20195.5 Ų95.587%0.87453%0.532SS*.THydrogen-bonded Turntrans-60.8128.3176.5-69.5-177.4179.7174.60109.8C38K36-C38 VanDerWaalsContact C-N 3.32Å
37G81.5Confident67.3Low51 Ų5195.7 Ų95.753%0.52654%0.541SS..THydrogen-bonded Turntrans82.76.9-176.200000114.1P35 S69P35-G37 PolarHBondContact O-N 2.77Å; G37-S69 WeakPolarHBondContact O-CB 3.42Å; G37-S69 PolarHBondContact O-OG 3.38Å
38C89.5Confident67Low17 Ų1794.5 Ų94.512%0.11554%0.544CS..  trans-110.5152172.5-60.20000111.1C34 P35 K36 V64 T65 C66C34-C38 VanDerWaalsContact SG-C 3.56Å; C34-C38 PolarHBondContact SG-O 3.37Å; P35-C38 HydrophobicContact CB-CB 4.19Å; P35-C38 HydrophobicContact CG-CB 4.21Å; P35-C38 WeakPolarHBondContact O-CB 2.92Å; P35-C38 PolarHBondContact O-N 2.91Å; K36-C38 VanDerWaalsContact C-N 3.32Å; C38-V64 HydrophobicContact CB-CG1 4.25Å; C38-T65 CarbonylContact C-O 3.54Å; C38-T65 VanDerWaalsContact CA-O 3.32Å; C38-T65 WeakPolarHBondContact CA-O 3.32Å; C38-C66 HydrophobicContact CB-CB 4.02Å; C38-C66 WeakPolarHBondContact CB-SG 2.97Å; C38-C66 WeakPolarHBondContact SG-CB 3.45Å; C38-C66 CovalentContact SG-SG 2.02Å; C38-C66 PolarHBondContact SG-SG 3.37Å
39V89.4Confident66.9Low92 Ų9294.1 Ų94.156%0.55855%0.547SS*.EExtended strand (participates in β ladder)trans-112.5118.9171.7-179.60000108T65V39-T65 PolarHBondContact N-O 2.96Å; V39-T65 PolarHBondContact O-N 3.48Å; V39-T65 PolarHBondContact O-OG1 3.33Å
40C88.6Confident66.6Low32 Ų3299.8 Ų99.822%0.21657%0.567CS.*EExtended strand (participates in β ladder)trans-106.4115.6180-62.30000109C34 L62 N63C34-C40 WeakPolarHBondContact CA-SG 3.48Å; C34-C40 HydrophobicContact CB-CB 3.77Å; C34-C40 WeakPolarHBondContact CB-SG 3.3Å; C34-C40 WeakPolarHBondContact SG-CB 3.49Å; C34-C40 PolarHBondContact SG-N 2.9Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.14Å; C40-L62 HydrophobicContact CB-CD1 4.28Å; C40-L62 HydrophobicContact CB-CD2 4.14Å; C40-L62 HydrophobicContact CB-CG 4.39Å; C40-N63 WeakPolarHBondContact CA-O 3.17Å
41Q85.2Confident67Low103 Ų103101.1 Ų101.148%0.48157%0.565SS.*EExtended strand (participates in β ladder)trans-122.5126.6-179.9-172.1171.2-0.100109.5A43 N63Q41-A43 PolarHBondContact O-N 3.38Å; Q41-N63 PolarHBondContact N-O 3.24Å; Q41-N63 PolarHBondContact O-N 3.41Å
42R79.9Confident66.9Low140 Ų140100 Ų10053%0.52856%0.561SS.*EExtended strand (participates in β ladder)trans-65130.7168.9-69.7-175-177.71162.4108.1R44 L62R42-R44 PolarHBondContact O-N 3.01Å; R42-L62 HydrophobicContact CG-CD1 3.94Å
43A65.3Low66.6Low47 Ų47104.2 Ų104.239%0.38859%0.587SS.*PPolyproline II helixtrans-50.4129.6173.800000108.8Q41 L60 G61Q41-A43 PolarHBondContact O-N 3.38Å; A43-L60 WeakPolarHBondContact O-CD2 3.18Å; A43-G61 WeakPolarHBondContact CB-O 3.41Å; A43-G61 PolarHBondContact N-O 3.21Å; A43-G61 VanDerWaalsContact N-O 3.15Å
44R56.1Low65.7Low204 Ų20499.2 Ų99.277%0.7757%0.574SS**PPolyproline II helixtrans-71.7138.7171.9-74.6-178.2-174.8155.42.3107.5R42 D46R42-R44 PolarHBondContact O-N 3.01Å; R44-D46 PolarHBondContact O-N 3.44Å
45P53.9Low63.9Low102 Ų102103.8 Ų103.866%0.66260%0.602SS**PPolyproline II helixtrans-60.5128.7168.425-31.1000108.5
46D47.8Very low62.1Low127 Ų127111.1 Ų111.168%0.67964%0.64SS**PPolyproline II helixtrans-57.1128.8176.5-75.2-40.8000109.9R44 G48 L49R44-D46 PolarHBondContact O-N 3.44Å; D46-G48 PolarHBondContact O-N 2.91Å; D46-L49 PolarHBondContact O-N 3.45Å
47P51Low60.3Low135 Ų135104.4 Ų104.488%0.87763%0.628SS**THydrogen-bonded Turntrans-68.7-2.5-178.726.2-32.6000113.9
48G50.8Low58.8Low67 Ų67108.5 Ų108.569%0.69164%0.637SS**THydrogen-bonded Turntrans-103.5-2.4-179.700000115.6D46D46-G48 PolarHBondContact O-N 2.91Å
49L48.2Very low56.9Low126 Ų126116.5 Ų116.566%0.6667%0.67SS**  trans-107.191.7-179.5-146.376.4000109.5D46 L51D46-L49 PolarHBondContact O-N 3.45Å; L49-L51 VanDerWaalsContact C-N 3.25Å; L49-L51 HydrophobicContact CB-CD1 4.39Å; L49-L51 HydrophobicContact CD2-CD1 3.37Å; L49-L51 HydrophobicContact CG-CD1 3.66Å; L49-L51 PolarHBondContact O-N 3.17Å
50H44.3Very low55.7Low194 Ų194115 Ų11590%0.89866%0.659SS**  trans-66.383.3170.8-77.3-74.8000110.2
51L51.4Low54.9Low140 Ų140114.1 Ų114.173%0.73366%0.655SS**  trans-95.6119.2155.5-82.1103000108.2L49L49-L51 VanDerWaalsContact C-N 3.25Å; L49-L51 HydrophobicContact CB-CD1 4.39Å; L49-L51 HydrophobicContact CD2-CD1 3.37Å; L49-L51 HydrophobicContact CG-CD1 3.66Å; L49-L51 PolarHBondContact O-N 3.17Å
52G47.1Very low55Low60 Ų60109.7 Ų109.762%0.61964%0.635SS**  trans-58.3168.7177.400000113G54G52-G54 PolarHBondContact O-N 2.85Å
53P50.9Low55.4Low146 Ų146105.6 Ų105.695%0.94862%0.623SS**SBendtrans-7478.8-176.432.3-33.3000109.9
54G47.7Very low56.7Low42 Ų42103.3 Ų103.343%0.43361%0.605SS.*  trans-98.5153.8167.300000110.8G52 L56 G57G52-G54 PolarHBondContact O-N 2.85Å; G54-L56 PolarHBondContact O-N 3.22Å; G54-G57 PolarHBondContact O-N 3.44Å
55P45Very low58.4Low141 Ų14195.8 Ų95.892%0.91658%0.581SS**THydrogen-bonded Turntrans-70.911.7-178.330.4-34.5000114.2
56L46.1Very low60.3Low167 Ų16790.9 Ų90.987%0.87455%0.55SS*.THydrogen-bonded Turntrans-11623.4-179.2-64.9172.2000112.6G54 L58G54-L56 PolarHBondContact O-N 3.22Å; L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 3.27Å
57G46.3Very low62.5Low60 Ų6088.2 Ų88.262%0.61954%0.538SS*.  trans-81.124.2-177.600000116.8G54G54-G57 PolarHBondContact O-N 3.44Å
58L49.3Very low64.4Low136 Ų13683.9 Ų83.971%0.71252%0.518SS*.  trans-145.671.6-170.4-86146000112.7L56 L60L56-L58 VanDerWaalsContact C-N 3.3Å; L56-L58 PolarHBondContact O-N 3.27Å; L58-L60 HydrophobicContact CD2-CD1 3.5Å; L58-L60 VanDerWaalsContact CD2-CD1 3.5Å; L58-L60 HydrophobicContact CG-CD1 4.18Å
59F51.2Low66.4Low185 Ų18582.7 Ų82.781%0.81150%0.499SS*.  trans-115.264.6141.2-79.2-74.1000107.6G61 L105F59-G61 VanDerWaalsContact C-N 3.29Å; F59-G61 PolarHBondContact O-N 2.99Å; F59-L105 HydrophobicContact CD1-CD1 3.99Å; F59-L105 HydrophobicContact CE1-CD1 4.48Å
60L63.1Low68.5Low60 Ų6086.2 Ų86.231%0.31450%0.503SS..  trans-7391.9170.2-76.2150000106.4A43 L58A43-L60 WeakPolarHBondContact O-CD2 3.18Å; L58-L60 HydrophobicContact CD2-CD1 3.5Å; L58-L60 VanDerWaalsContact CD2-CD1 3.5Å; L58-L60 HydrophobicContact CG-CD1 4.18Å
61G72.8Confident70.7Confident14 Ų1478.4 Ų78.414%0.14447%0.468CS..PPolyproline II helixtrans-52.6141.2173.600000110.9A43 F59A43-G61 WeakPolarHBondContact CB-O 3.41Å; A43-G61 PolarHBondContact N-O 3.21Å; A43-G61 VanDerWaalsContact N-O 3.15Å; F59-G61 VanDerWaalsContact C-N 3.29Å; F59-G61 PolarHBondContact O-N 2.99Å
62L85.8Confident72.7Confident11 Ų1178.4 Ų78.46%0.05846%0.462CS..EExtended strand (participates in β ladder)trans-85.6130.3176.3-170.274.5000109.3C40 R42 V64 P79 D81 T82 A83 V84C40-L62 HydrophobicContact CB-CD1 4.28Å; C40-L62 HydrophobicContact CB-CD2 4.14Å; C40-L62 HydrophobicContact CB-CG 4.39Å; R42-L62 HydrophobicContact CG-CD1 3.94Å; L62-V64 HydrophobicContact CD2-CG2 3.75Å; L62-V64 HydrophobicContact CG-CG2 4.02Å; L62-P79 HydrophobicContact CD2-CB 3.53Å; L62-P79 HydrophobicContact CD2-CG 3.5Å; L62-P79 VanDerWaalsContact CD2-CG 3.5Å; L62-D81 WeakPolarHBondContact CB-O 3.37Å; L62-D81 PolarHBondContact N-O 3.38Å; L62-T82 WeakPolarHBondContact O-CA 3.15Å; L62-A83 PolarHBondContact O-N 3.38Å; L62-V84 PolarHBondContact O-N 2.98Å
63N89.6Confident74.9Confident53 Ų5382.9 Ų82.928%0.28347%0.467SS..EExtended strand (participates in β ladder)trans-95.3117.4170.6-169.2-2.9000108.4C40 Q41 V84C40-N63 WeakPolarHBondContact CA-O 3.17Å; Q41-N63 PolarHBondContact N-O 3.24Å; Q41-N63 PolarHBondContact O-N 3.41Å; N63-V84 HydrophobicContact CB-CB 4.33Å; N63-V84 WeakPolarHBondContact OD1-CB 2.96Å; N63-V84 VanDerWaalsContact OD1-CG1 3.26Å; N63-V84 WeakPolarHBondContact OD1-CG1 3.44Å; N63-V84 PolarHBondContact OD1-O 2.96Å
64V91.9Very high76.8Confident0 Ų076.9 Ų76.90%043%0.427CS..EExtended strand (participates in β ladder)trans-112116.1-179.2-179.20000108C38 L62 L78 T82 V84 L85 R86C38-V64 HydrophobicContact CB-CG1 4.25Å; L62-V64 HydrophobicContact CD2-CG2 3.75Å; L62-V64 HydrophobicContact CG-CG2 4.02Å; V64-L78 HydrophobicContact CG1-CD2 4.15Å; V64-T82 HydrophobicContact CB-CG2 4.05Å; V64-T82 HydrophobicContact CG2-CG2 3.71Å; V64-T82 WeakPolarHBondContact CG2-OG1 2.99Å; V64-V84 PolarHBondContact N-O 2.91Å; V64-L85 HydrophobicContact CB-CD1 3.95Å; V64-L85 HydrophobicContact CG1-CD1 3.86Å; V64-L85 WeakPolarHBondContact O-CA 3.36Å; V64-R86 PolarHBondContact O-N 3.46Å
65T92.9Very high78.8Confident45 Ų4575.7 Ų75.728%0.27641%0.411SS..EExtended strand (participates in β ladder)trans-119.3121.5-177.756.40000110C38 V39 R86C38-T65 CarbonylContact C-O 3.54Å; C38-T65 VanDerWaalsContact CA-O 3.32Å; C38-T65 WeakPolarHBondContact CA-O 3.32Å; V39-T65 PolarHBondContact N-O 2.96Å; V39-T65 PolarHBondContact O-N 3.48Å; V39-T65 PolarHBondContact O-OG1 3.33Å; T65-R86 HydrophobicContact CG2-CB 4.18Å; T65-R86 HydrophobicContact CG2-CG 4.4Å
66C93.1Very high80.7Confident0 Ų074.7 Ų74.70%041%0.405CS..  trans-128.732.3-178.7-41.80000111.3C38 G68 S69 L71 R86 L87 N90C38-C66 HydrophobicContact CB-CB 4.02Å; C38-C66 WeakPolarHBondContact CB-SG 2.97Å; C38-C66 WeakPolarHBondContact SG-CB 3.45Å; C38-C66 CovalentContact SG-SG 2.02Å; C38-C66 PolarHBondContact SG-SG 3.37Å; C66-G68 PolarHBondContact O-N 3.03Å; C66-S69 WeakPolarHBondContact O-CB 3.49Å; C66-S69 PolarHBondContact O-OG 2.9Å; C66-L71 HydrophobicContact CB-CD1 3.79Å; C66-R86 PolarHBondContact N-O 2.97Å; C66-L87 HydrophobicContact CB-CD2 3.8Å; C66-N90 PolarHBondContact O-ND2 3.03Å
67T93.2Very high82.5Confident70 Ų7071.9 Ų71.943%0.42939%0.391SS..THydrogen-bonded Turntrans-63129.4-175.2-53.40000111.3S69 D88 H89T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.5Å; T67-D88 VanDerWaalsContact CA-O 3.31Å; T67-D88 WeakPolarHBondContact CA-O 3.4Å; T67-D88 WeakPolarHBondContact CG2-OD2 3.48Å; T67-D88 PolarHBondContact OG1-OD1 3.12Å; T67-H89 HydrophobicContact CG2-CB 4.21Å
68G92.5Very high84.5Confident45 Ų4570.1 Ų70.146%0.46437%0.367SS..THydrogen-bonded Turntrans74.513.6174.100000115.5C66 R70 D88 H89C66-G68 PolarHBondContact O-N 3.03Å; G68-R70 PolarHBondContact O-N 3.19Å; G68-D88 PolarHBondContact N-O 3.35Å; G68-H89 VanDerWaalsContact CA-O 3.26Å; G68-H89 WeakPolarHBondContact CA-O 3.25Å; G68-H89 PolarHBondContact N-O 3.49Å
69S91.3Very high86.3Confident41 Ų4164.3 Ų64.329%0.28734%0.337SS..SBendtrans-82.88.5-174-61.20000114.6G37 C66 T67 L71 N90G37-S69 WeakPolarHBondContact O-CB 3.42Å; G37-S69 PolarHBondContact O-OG 3.38Å; C66-S69 WeakPolarHBondContact O-CB 3.49Å; C66-S69 PolarHBondContact O-OG 2.9Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 3.5Å; S69-L71 PolarHBondContact O-N 2.97Å; S69-N90 WeakPolarHBondContact CA-OD1 3.46Å; S69-N90 PolarHBondContact N-OD1 3.38Å
70R92.7Very high88Confident200 Ų20059.4 Ų59.476%0.75532%0.324SS*.  trans54.133-179.1-52.7-179-173.9-162.10.4112.8G68 K72 N90G68-R70 PolarHBondContact O-N 3.19Å; R70-K72 PolarHBondContact O-N 3.28Å; R70-N90 PolarHBondContact N-OD1 2.89Å
71L91.6Very high89.1Confident30 Ų3061.1 Ų61.116%0.15733%0.334CS..  trans-68.2131179.1-61.5173.9000109.5C66 S69 P75 L87 N90 Q91 I92C66-L71 HydrophobicContact CB-CD1 3.79Å; S69-L71 PolarHBondContact O-N 2.97Å; L71-P75 HydrophobicContact CD1-CG 4.08Å; L71-L87 HydrophobicContact CD1-CD2 3.97Å; L71-N90 HydrophobicContact CB-CB 4.1Å; L71-N90 PolarHBondContact N-OD1 2.89Å; L71-Q91 CarbonylContact O-C 3.58Å; L71-Q91 VanDerWaalsContact O-CA 3.26Å; L71-Q91 WeakPolarHBondContact O-CA 3.02Å; L71-Q91 PolarHBondContact O-N 3.49Å; L71-I92 HydrophobicContact CB-CG1 4.43Å; L71-I92 PolarHBondContact O-N 3.32Å
72K92.6Very high89.9Confident140 Ų14060.5 Ų60.561%0.60933%0.327SS*.SBendtrans-90.8-20.6174.1-66.3-175.1176.8-175.10113R70 I92R70-K72 PolarHBondContact O-N 3.28Å; K72-I92 WeakPolarHBondContact O-CA 3.42Å
73E92.5Very high90.1Very high155 Ų15560.6 Ų60.672%0.72433%0.329SS*.SBendtrans-144.8159.6-174.5-66.3174.7-161.200108.7
74I92.4Very high90.2Very high20 Ų2059.5 Ų59.510%0.10333%0.325CS..  trans-71.3128.1176.1-61.9162.5000108.2L78 L87 I92 V95 A99 F100I74-L78 HydrophobicContact CG2-CD1 3.9Å; I74-L87 HydrophobicContact CG1-CD1 4.16Å; I74-L87 HydrophobicContact CG2-CD1 4.16Å; I74-I92 HydrophobicContact CG1-CD1 4.18Å; I74-I92 HydrophobicContact CG1-CG2 4.34Å; I74-V95 HydrophobicContact CD1-CB 4.39Å; I74-V95 HydrophobicContact CD1-CG1 3.8Å; I74-V95 HydrophobicContact CD1-CG2 4.26Å; I74-A99 HydrophobicContact CD1-CB 3.89Å; I74-F100 HydrophobicContact CD1-CE1 3.98Å; I74-F100 HydrophobicContact CD1-CE2 4.32Å; I74-F100 HydrophobicContact CD1-CZ 3.53Å; I74-F100 HydrophobicContact CG2-CE1 4.09Å
75P88.8Confident90.3Very high16 Ų1659.5 Ų59.510%0.10433%0.325CS..  trans-60.4131179.2-20.630.8000111.1P35 L71 D77 L78P35-P75 HydrophobicContact CB-CB 3.74Å; P35-P75 HydrophobicContact CB-CG 4.08Å; P35-P75 HydrophobicContact CG-CB 3.95Å; P35-P75 HydrophobicContact CG-CG 4.37Å; L71-P75 HydrophobicContact CD1-CG 4.08Å; P75-D77 VanDerWaalsContact C-N 3.28Å; P75-D77 PolarHBondContact O-N 3.04Å; P75-L78 WeakPolarHBondContact O-CD1 2.92Å; P75-L78 WeakPolarHBondContact O-CG 3.36Å
76P84.6Confident90.4Very high120 Ų12062.2 Ų62.278%0.77933%0.33SS*.SBendtrans-71.9-25.9178.328.3-34.4000112.4L78P76-L78 PolarHBondContact O-N 3.43Å
77D84.5Confident90.5Very high108 Ų10862.2 Ų62.258%0.57833%0.33SS*.  trans-86.748.7-175.1-56.7-39.6000112.2P75P75-D77 VanDerWaalsContact C-N 3.28Å; P75-D77 PolarHBondContact O-N 3.04Å
78L88.8Confident90.7Very high24 Ų2459.6 Ų59.613%0.12631%0.313CS..  trans-83.9133.1177.4-72.7166.7000111.1P35 V64 I74 P75 P76 L85 L103P35-L78 HydrophobicContact CG-CD2 4.03Å; V64-L78 HydrophobicContact CG1-CD2 4.15Å; I74-L78 HydrophobicContact CG2-CD1 3.9Å; P75-L78 WeakPolarHBondContact O-CD1 2.92Å; P75-L78 WeakPolarHBondContact O-CG 3.36Å; P76-L78 PolarHBondContact O-N 3.43Å; L78-L85 HydrophobicContact CD1-CD2 3.76Å; L78-L85 HydrophobicContact CD2-CD1 3.83Å; L78-L85 HydrophobicContact CD2-CD2 4.43Å; L78-L103 HydrophobicContact CB-CD1 4.38Å; L78-L103 HydrophobicContact CB-CD2 4.04Å; L78-L103 HydrophobicContact CD1-CD1 4.11Å
79P87.3Confident90.9Very high13 Ų1362.1 Ų62.18%0.08431%0.313CS..  trans-63.9136.5179.3-2233.9000111.6L62 D81 T82 L103L62-P79 HydrophobicContact CD2-CB 3.53Å; L62-P79 HydrophobicContact CD2-CG 3.5Å; L62-P79 VanDerWaalsContact CD2-CG 3.5Å; P79-D81 PolarHBondContact O-N 3.42Å; P79-T82 VanDerWaalsContact O-CB 3.3Å; P79-T82 WeakPolarHBondContact O-CB 2.88Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.87Å; P79-L103 WeakPolarHBondContact O-CD2 2.93Å
80P87.1Confident91.1Very high82 Ų8260.7 Ų60.753%0.53230%0.302SS..THydrogen-bonded Turntrans-64.5-24.6-177.626-34.9000113.5T82P80-T82 PolarHBondContact O-N 3.46Å
81D86Confident91.3Very high97 Ų9755.8 Ų55.852%0.51929%0.288SS..THydrogen-bonded Turntrans-82.18.8179.5-55.7-31.8000113.2L62 P79 A83L62-D81 WeakPolarHBondContact CB-O 3.37Å; L62-D81 PolarHBondContact N-O 3.38Å; P79-D81 PolarHBondContact O-N 3.42Å; D81-A83 PolarHBondContact O-N 3.23Å
82T88.8Confident91.5Very high0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-65.4120.2179.7-57.70000110.8L62 V64 P79 P80 V84 L85 L105 L106L62-T82 WeakPolarHBondContact O-CA 3.15Å; V64-T82 HydrophobicContact CB-CG2 4.05Å; V64-T82 HydrophobicContact CG2-CG2 3.71Å; V64-T82 WeakPolarHBondContact CG2-OG1 2.99Å; P79-T82 VanDerWaalsContact O-CB 3.3Å; P79-T82 WeakPolarHBondContact O-CB 2.88Å; P79-T82 PolarHBondContact O-N 2.89Å; P79-T82 VanDerWaalsContact O-N 3.12Å; P79-T82 PolarHBondContact O-OG1 2.87Å; P80-T82 PolarHBondContact O-N 3.46Å; T82-V84 WeakPolarHBondContact CG2-O 3.35Å; T82-L85 HydrophobicContact CG2-CB 4.06Å; T82-L105 CarbonylContact O-C 3.41Å; T82-L106 HydrophobicContact CG2-CD1 4.05Å; T82-L106 WeakPolarHBondContact O-CA 3.46Å; T82-L106 PolarHBondContact O-N 3.34Å
83A90.3Very high91.6Very high13 Ų1353 Ų5311%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-103.3-31.1175.800000112.6L62 D81 L105 R107 E108L62-A83 PolarHBondContact O-N 3.38Å; D81-A83 PolarHBondContact O-N 3.23Å; A83-L105 WeakPolarHBondContact CA-O 3.31Å; A83-R107 PolarHBondContact O-N 3.3Å; A83-E108 PolarHBondContact O-N 3.22Å
84V91.7Very high91.7Very high31 Ų3147.4 Ų47.419%0.18826%0.258CS..EExtended strand (participates in β ladder)trans-129.4124.3177.7177.80000107.6L62 N63 V64 T82 R86 E108L62-V84 PolarHBondContact O-N 2.98Å; N63-V84 HydrophobicContact CB-CB 4.33Å; N63-V84 WeakPolarHBondContact OD1-CB 2.96Å; N63-V84 VanDerWaalsContact OD1-CG1 3.26Å; N63-V84 WeakPolarHBondContact OD1-CG1 3.44Å; N63-V84 PolarHBondContact OD1-O 2.96Å; V64-V84 PolarHBondContact N-O 2.91Å; T82-V84 WeakPolarHBondContact CG2-O 3.35Å; V84-R86 HydrophobicContact CG1-CG 4.25Å; V84-E108 HydrophobicContact CG1-CB 4.14Å; V84-E108 HydrophobicContact CG1-CG 4.32Å; V84-E108 HydrophobicContact CG2-CB 4.24Å
85L94.1Very high91.8Very high0 Ų046.5 Ų46.50%025%0.253CS..EExtended strand (participates in β ladder)trans-123.2114.1178.7-179.456000109.5V64 L78 T82 L87 F100 L103 L106 E108 L109 N110V64-L85 HydrophobicContact CB-CD1 3.95Å; V64-L85 HydrophobicContact CG1-CD1 3.86Å; V64-L85 WeakPolarHBondContact O-CA 3.36Å; L78-L85 HydrophobicContact CD1-CD2 3.76Å; L78-L85 HydrophobicContact CD2-CD1 3.83Å; L78-L85 HydrophobicContact CD2-CD2 4.43Å; T82-L85 HydrophobicContact CG2-CB 4.06Å; L85-L87 HydrophobicContact CD1-CD1 4.34Å; L85-L87 HydrophobicContact CD1-CD2 4.16Å; L85-L87 HydrophobicContact CD1-CG 3.99Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 3.98Å; L85-F100 HydrophobicContact CD2-CD1 4.07Å; L85-F100 HydrophobicContact CD2-CE1 3.89Å; L85-L103 HydrophobicContact CD2-CD1 4.22Å; L85-L106 HydrophobicContact CB-CD1 3.67Å; L85-E108 PolarHBondContact N-O 3.04Å; L85-L109 HydrophobicContact CB-CD1 4.08Å; L85-L109 HydrophobicContact CD2-CD1 3.88Å; L85-L109 HydrophobicContact CG-CD1 3.95Å; L85-L109 WeakPolarHBondContact O-CA 3.02Å; L85-N110 PolarHBondContact O-N 3.33Å
86R95.4Very high92Very high101 Ų10149 Ų4938%0.38127%0.27SS..EExtended strand (participates in β ladder)trans-110.4111.8176.5-65.6-166.8156.9-161-9.5110.3V64 T65 C66 V84 E108 N110V64-R86 PolarHBondContact O-N 3.46Å; T65-R86 HydrophobicContact CG2-CB 4.18Å; T65-R86 HydrophobicContact CG2-CG 4.4Å; C66-R86 PolarHBondContact N-O 2.97Å; V84-R86 HydrophobicContact CG1-CG 4.25Å; R86-E108 IonicContact CZ-OE1 3.62Å; R86-E108 IonicContact NE-OE1 3.32Å; R86-E108 PolarHBondContact NE-OE1 3.44Å; R86-E108 IonicContact NH2-OE1 2.98Å; R86-E108 PolarHBondContact NH2-OE1 2.89Å; R86-N110 HydrophobicContact CG-CB 4.28Å
87L95.3Very high92.3Very high0 Ų047 Ų470%025%0.252CS..  trans-11921.8178.3-65.8173000110.6C66 L71 I74 L85 N90 I92 N110 L111 N114C66-L87 HydrophobicContact CB-CD2 3.8Å; L71-L87 HydrophobicContact CD1-CD2 3.97Å; I74-L87 HydrophobicContact CG1-CD1 4.16Å; I74-L87 HydrophobicContact CG2-CD1 4.16Å; L85-L87 HydrophobicContact CD1-CD1 4.34Å; L85-L87 HydrophobicContact CD1-CD2 4.16Å; L85-L87 HydrophobicContact CD1-CG 3.99Å; L85-L87 HydrophobicContact CD2-CD1 3.99Å; L85-L87 HydrophobicContact CD2-CG 4.46Å; L85-L87 HydrophobicContact CG-CD1 4.04Å; L85-L87 HydrophobicContact CG-CG 3.98Å; L87-N90 VanDerWaalsContact C-ND2 3.33Å; L87-N90 PolarHBondContact O-ND2 3.45Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CD1-CD1 4.27Å; L87-N110 CarbonylContact C-O 3.46Å; L87-N110 WeakPolarHBondContact CA-O 3.38Å; L87-N110 PolarHBondContact N-O 3.39Å; L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.83Å; L87-L111 HydrophobicContact CG-CD2 4.47Å; L87-N114 PolarHBondContact O-ND2 3.31Å
88D96.5Very high92.5Very high15 Ų1546 Ų468%0.0824%0.244CC..  trans-67.7157.2-177.363.3-69.6000112.9T67 G68 N90 N110 S112T67-D88 VanDerWaalsContact CA-O 3.31Å; T67-D88 WeakPolarHBondContact CA-O 3.4Å; T67-D88 WeakPolarHBondContact CG2-OD2 3.48Å; T67-D88 PolarHBondContact OG1-OD1 3.12Å; G68-D88 PolarHBondContact N-O 3.35Å; D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 PolarHBondContact O-ND2 2.89Å; D88-N110 PolarHBondContact N-O 2.91Å; D88-S112 WeakPolarHBondContact CA-O 3.46Å
89H96.6Very high92.5Very high98 Ų9846.2 Ų46.245%0.45425%0.249SC..SBendtrans56.738.9180-59.886.1000113.9T67 G68 S112 H113T67-H89 HydrophobicContact CG2-CB 4.21Å; G68-H89 VanDerWaalsContact CA-O 3.26Å; G68-H89 WeakPolarHBondContact CA-O 3.25Å; G68-H89 PolarHBondContact N-O 3.49Å; H89-S112 PolarHBondContact N-O 2.77Å; H89-S112 VanDerWaalsContact N-O 3.13Å; H89-H113 VanDerWaalsContact CA-O 3.26Å; H89-H113 WeakPolarHBondContact CA-O 2.99Å; H89-H113 AromaticContact CE1-CD2 3.66Å; H89-H113 PolarHBondContact N-O 3.06Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-CG 3.72Å
90N96Very high92.7Very high11 Ų1145.6 Ų45.66%0.05925%0.245CC..SBendtrans-110-165174.9-78.4-62.3000110.8C66 S69 R70 L71 L87 D88 I92 H113 N114C66-N90 PolarHBondContact O-ND2 3.03Å; S69-N90 WeakPolarHBondContact CA-OD1 3.46Å; S69-N90 PolarHBondContact N-OD1 3.38Å; R70-N90 PolarHBondContact N-OD1 2.89Å; L71-N90 HydrophobicContact CB-CB 4.1Å; L71-N90 PolarHBondContact N-OD1 2.89Å; L87-N90 VanDerWaalsContact C-ND2 3.33Å; L87-N90 PolarHBondContact O-ND2 3.45Å; D88-N90 VanDerWaalsContact C-N 3.29Å; D88-N90 PolarHBondContact O-N 3.25Å; D88-N90 PolarHBondContact O-ND2 2.89Å; N90-I92 HydrophobicContact CB-CD1 4.35Å; N90-I92 HydrophobicContact CB-CG1 4.18Å; N90-H113 PolarHBondContact N-O 3.03Å; N90-N114 WeakPolarHBondContact CA-OD1 3.42Å; N90-N114 WeakPolarHBondContact CB-OD1 3.45Å; N90-N114 PolarHBondContact N-OD1 2.85Å; N90-N114 PolarHBondContact O-OD1 3.36Å
91Q96Very high92.7Very high98 Ų9850.4 Ų50.446%0.45825%0.253SS..  trans-123.131.9-178.7-61.9176.8-1.900110.5L71 M93 N114L71-Q91 CarbonylContact O-C 3.58Å; L71-Q91 VanDerWaalsContact O-CA 3.26Å; L71-Q91 WeakPolarHBondContact O-CA 3.02Å; L71-Q91 PolarHBondContact O-N 3.49Å; Q91-M93 PolarHBondContact O-N 3.03Å; Q91-N114 PolarHBondContact N-OD1 3.01Å
92I95.9Very high92.5Very high0 Ų047.5 Ų47.50%025%0.245CC..  trans-69.7126.1-178-59169.6000108.3L71 K72 I74 L87 N90 A94 L111 N114 A115 V116L71-I92 HydrophobicContact CB-CG1 4.43Å; L71-I92 PolarHBondContact O-N 3.32Å; K72-I92 WeakPolarHBondContact O-CA 3.42Å; I74-I92 HydrophobicContact CG1-CD1 4.18Å; I74-I92 HydrophobicContact CG1-CG2 4.34Å; L87-I92 HydrophobicContact CB-CD1 4.06Å; L87-I92 HydrophobicContact CD1-CD1 4.27Å; N90-I92 HydrophobicContact CB-CD1 4.35Å; N90-I92 HydrophobicContact CB-CG1 4.18Å; I92-A94 WeakPolarHBondContact CG2-O 3.41Å; I92-L111 HydrophobicContact CD1-CD2 3.88Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.43Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N114 PolarHBondContact N-OD1 3.27Å; I92-A115 CarbonylContact O-C 3.5Å; I92-A115 WeakPolarHBondContact O-CA 3.33Å; I92-A115 PolarHBondContact O-N 2.62Å; I92-V116 HydrophobicContact CB-CG2 4.43Å; I92-V116 HydrophobicContact CG2-CG2 4.22Å; I92-V116 WeakPolarHBondContact O-CA 3.34Å; I92-V116 WeakPolarHBondContact O-CG2 3.38Å; I92-V116 PolarHBondContact O-N 3.11Å
93M95.3Very high92.6Very high110 Ų11047.9 Ų47.954%0.54225%0.247SC..  trans-101.8-25.6-174.9-61.7-174.1-55.800114.1Q91 A115 V116 E117Q91-M93 PolarHBondContact O-N 3.03Å; M93-A115 WeakPolarHBondContact CA-O 3.39Å; M93-A115 HydrophobicContact CG-CB 4.46Å; M93-V116 CarbonylContact O-C 3.51Å; M93-V116 WeakPolarHBondContact O-CA 3.35Å; M93-E117 PolarHBondContact O-N 2.92Å
94A94.4Very high92.5Very high39 Ų3956.5 Ų56.532%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-146.4150-178.500000110.3I92 T118I92-A94 WeakPolarHBondContact CG2-O 3.41Å; A94-T118 WeakPolarHBondContact CA-O 3.21Å; A94-T118 WeakPolarHBondContact CB-OG1 3.38Å
95V94.6Very high92.3Very high0 Ų057.8 Ų57.80%028%0.282CS..EExtended strand (participates in β ladder)trans-110.4106.1168.2-172.70000107.8I74 A99 F100 L111 V116 T118 L119 E120 A123I74-V95 HydrophobicContact CD1-CB 4.39Å; I74-V95 HydrophobicContact CD1-CG1 3.8Å; I74-V95 HydrophobicContact CD1-CG2 4.26Å; V95-A99 HydrophobicContact CG1-CB 3.89Å; V95-F100 HydrophobicContact CG1-CE2 3.76Å; V95-F100 HydrophobicContact CG1-CZ 4.22Å; V95-L111 HydrophobicContact CG2-CD1 4.18Å; V95-V116 HydrophobicContact CG2-CG1 4.19Å; V95-V116 HydrophobicContact CG2-CG2 4.49Å; V95-T118 PolarHBondContact N-O 3.49Å; V95-T118 VanDerWaalsContact N-O 3.14Å; V95-L119 HydrophobicContact CB-CD2 3.73Å; V95-L119 HydrophobicContact CG2-CD2 3.61Å; V95-E120 PolarHBondContact O-N 3.25Å; V95-A123 HydrophobicContact CB-CB 4.18Å; V95-A123 HydrophobicContact CG1-CB 3.73Å
96P92.6Very high92.2Very high70 Ų7057.8 Ų57.846%0.45528%0.282SS..  trans-71.5164-178.429.5-33.9000111.5H98 A99 A123P96-H98 PolarHBondContact O-N 2.96Å; P96-A99 HydrophobicContact CG-CB 4.07Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 2.82Å; P96-A123 WeakPolarHBondContact O-CA 3.03Å
97D90.6Very high92Very high78 Ų7859.9 Ų59.942%0.41729%0.29SS..THydrogen-bonded Turntrans-53.4139.2171.5-79.6-27.7000111.8A99 E120 G122D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.11Å; D97-E120 WeakPolarHBondContact OD1-CB 3.26Å; D97-G122 WeakPolarHBondContact OD1-CA 3.23Å; D97-G122 PolarHBondContact OD1-N 2.97Å
98H89.5Confident91.9Very high87 Ų8762.6 Ų62.640%0.40330%0.303SS..THydrogen-bonded Turntrans58.921.9176.4-54.7-57.8000114.4P96 F100 R101 G122 S125P96-H98 PolarHBondContact O-N 2.96Å; H98-F100 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact O-N 3.08Å; H98-R101 HydrophobicContact CB-CB 3.88Å; H98-R101 WeakPolarHBondContact O-CB 3.18Å; H98-R101 PolarHBondContact O-N 3.3Å; H98-G122 PolarHBondContact N-O 3.34Å; H98-S125 WeakPolarHBondContact ND1-CB 3.48Å
99A89Confident91.9Very high27 Ų2761.9 Ų61.922%0.22330%0.299CS..THydrogen-bonded Turntrans-54-32.2-179.300000113.7I74 V95 P96 D97I74-A99 HydrophobicContact CD1-CB 3.89Å; V95-A99 HydrophobicContact CG1-CB 3.89Å; P96-A99 HydrophobicContact CG-CB 4.07Å; P96-A99 WeakPolarHBondContact O-CB 3.49Å; P96-A99 PolarHBondContact O-N 2.82Å; D97-A99 PolarHBondContact O-N 2.87Å; D97-A99 VanDerWaalsContact O-N 3.11Å
100F91.3Very high91.9Very high1 Ų158 Ų580%0.00428%0.282CS..THydrogen-bonded Turntrans-107.615.1-178.7-51.2-68.3000113.2I74 L85 V95 H98 G102 L103 L106 L109 L111 A123 F124 V127I74-F100 HydrophobicContact CD1-CE1 3.98Å; I74-F100 HydrophobicContact CD1-CE2 4.32Å; I74-F100 HydrophobicContact CD1-CZ 3.53Å; I74-F100 HydrophobicContact CG2-CE1 4.09Å; L85-F100 HydrophobicContact CD2-CD1 4.07Å; L85-F100 HydrophobicContact CD2-CE1 3.89Å; V95-F100 HydrophobicContact CG1-CE2 3.76Å; V95-F100 HydrophobicContact CG1-CZ 4.22Å; H98-F100 PolarHBondContact O-N 2.84Å; H98-F100 VanDerWaalsContact O-N 3.08Å; F100-G102 PolarHBondContact O-N 3.17Å; F100-L103 HydrophobicContact CB-CD1 4.19Å; F100-L103 HydrophobicContact CD1-CD1 4.07Å; F100-L103 WeakPolarHBondContact O-CB 3.43Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.14Å; F100-L106 HydrophobicContact CB-CD2 4.49Å; F100-L109 HydrophobicContact CD1-CD2 4.33Å; F100-L109 HydrophobicContact CD2-CD2 3.98Å; F100-L109 HydrophobicContact CE1-CD1 3.94Å; F100-L109 HydrophobicContact CE1-CD2 3.88Å; F100-L109 HydrophobicContact CE2-CD2 3.49Å; F100-L109 VanDerWaalsContact CE2-CD2 3.49Å; F100-L109 HydrophobicContact CG-CD2 4.37Å; F100-L109 HydrophobicContact CZ-CD1 4.07Å; F100-L109 HydrophobicContact CZ-CD2 3.44Å; F100-L109 VanDerWaalsContact CZ-CD2 3.44Å; F100-L109 HydrophobicContact CZ-CG 4.39Å; F100-L111 HydrophobicContact CZ-CD1 4.14Å; F100-A123 WeakPolarHBondContact CD2-O 3.37Å; F100-F124 HydrophobicContact CD2-CD1 4.07Å; F100-F124 HydrophobicContact CD2-CE1 4.47Å; F100-F124 HydrophobicContact CE2-CD1 4.02Å; F100-F124 AromaticContact CE2-CE1 3.96Å; F100-F124 HydrophobicContact CE2-CE1 3.96Å; F100-V127 HydrophobicContact CB-CG1 3.89Å; F100-V127 HydrophobicContact CB-CG2 4.27Å
101R86.4Confident91.9Very high183 Ų18357.5 Ų57.569%0.69128%0.279SS*.THydrogen-bonded Turntrans-63.4123.6-178-176.4178.1-178.7-177.31.6110.1H98H98-R101 HydrophobicContact CB-CB 3.88Å; H98-R101 WeakPolarHBondContact O-CB 3.18Å; H98-R101 PolarHBondContact O-N 3.3Å
102G83.3Confident91.9Very high35 Ų3553.1 Ų53.136%0.36126%0.259SS..THydrogen-bonded Turntrans103.9-15-178.900000114.1F100 R104F100-G102 PolarHBondContact O-N 3.17Å; G102-R104 PolarHBondContact O-N 3.37Å
103L89.8Confident92Very high8 Ų856.8 Ų56.84%0.04228%0.276CS..  trans-81.459.8174.2-52.9-176.4000111.2L78 P79 L85 F100 L105 L106 V127L78-L103 HydrophobicContact CB-CD1 4.38Å; L78-L103 HydrophobicContact CB-CD2 4.04Å; L78-L103 HydrophobicContact CD1-CD1 4.11Å; P79-L103 WeakPolarHBondContact O-CD2 2.93Å; L85-L103 HydrophobicContact CD2-CD1 4.22Å; F100-L103 HydrophobicContact CB-CD1 4.19Å; F100-L103 HydrophobicContact CD1-CD1 4.07Å; F100-L103 WeakPolarHBondContact O-CB 3.43Å; F100-L103 PolarHBondContact O-N 3.44Å; F100-L103 VanDerWaalsContact O-N 3.14Å; L103-L105 PolarHBondContact O-N 3.31Å; L103-L106 HydrophobicContact CB-CB 3.99Å; L103-L106 HydrophobicContact CB-CD2 4.47Å; L103-L106 HydrophobicContact CD1-CD2 4.27Å; L103-L106 VanDerWaalsContact O-CB 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 2.01Å; L103-V127 HydrophobicContact CB-CG1 4.29Å; L103-V127 WeakPolarHBondContact O-CG1 3.45Å
104R87.4Confident92.1Very high195 Ų19552.2 Ų52.274%0.73625%0.254SS*.THydrogen-bonded Turntrans-65-12.9-171.8-60.2-176.4-174.5-170.11.5114.2G102 T130G102-R104 PolarHBondContact O-N 3.37Å; R104-T130 WeakPolarHBondContact O-CG2 3.49Å; R104-T130 PolarHBondContact O-OG1 2.88Å
105L88.2Confident92.2Very high58 Ų5851.4 Ų51.430%0.30425%0.247SC..THydrogen-bonded Turntrans-103.21.4178.9-62.7178.9000112.5F59 T82 A83 L103 R107F59-L105 HydrophobicContact CD1-CD1 3.99Å; F59-L105 HydrophobicContact CE1-CD1 4.48Å; T82-L105 CarbonylContact O-C 3.41Å; A83-L105 WeakPolarHBondContact CA-O 3.31Å; L103-L105 PolarHBondContact O-N 3.31Å; L105-R107 PolarHBondContact O-N 3.42Å
106L91.5Very high92.3Very high0 Ų051.4 Ų51.40%025%0.247CC..  trans-65.1125.2-176.2-168.569.1000110.7T82 L85 F100 L103 L109 V127 T130 L131T82-L106 HydrophobicContact CG2-CD1 4.05Å; T82-L106 WeakPolarHBondContact O-CA 3.46Å; T82-L106 PolarHBondContact O-N 3.34Å; L85-L106 HydrophobicContact CB-CD1 3.67Å; F100-L106 HydrophobicContact CB-CD2 4.49Å; L103-L106 HydrophobicContact CB-CB 3.99Å; L103-L106 HydrophobicContact CB-CD2 4.47Å; L103-L106 HydrophobicContact CD1-CD2 4.27Å; L103-L106 VanDerWaalsContact O-CB 3.23Å; L103-L106 WeakPolarHBondContact O-CB 3.39Å; L103-L106 PolarHBondContact O-N 2.01Å; L106-L109 HydrophobicContact CD2-CB 4.31Å; L106-V127 HydrophobicContact CB-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 4.17Å; L106-T130 CarbonylContact O-C 3.12Å; L106-T130 WeakPolarHBondContact O-CB 3.1Å; L106-T130 VanDerWaalsContact O-O 3.11Å; L106-T130 PolarHBondContact O-OG1 2.74Å; L106-L131 HydrophobicContact CD2-CD1 4.05Å; L106-L131 HydrophobicContact CG-CD1 4.03Å; L106-L131 WeakPolarHBondContact O-CA 3.35Å; L106-L131 PolarHBondContact O-N 3.32Å
107R91.9Very high92.4Very high145 Ų14552.9 Ų52.955%0.54725%0.248SC..  trans-116.6-40.8-179.6-63.7-177.9-176.5-176-0.3112.1A83 L105 Q132 V133A83-R107 PolarHBondContact O-N 3.3Å; L105-R107 PolarHBondContact O-N 3.42Å; R107-Q132 HydrophobicContact CB-CG 4.3Å; R107-Q132 WeakPolarHBondContact O-CA 3.26Å; R107-Q132 WeakPolarHBondContact O-CB 3.29Å; R107-Q132 PolarHBondContact O-N 3.03Å; R107-V133 PolarHBondContact O-N 3.48Å
108E93.3Very high92.4Very high56 Ų5652.7 Ų52.726%0.26225%0.25SC..EExtended strand (participates in β ladder)trans-121.6125.7179.3-179.4180148.700109.5A83 V84 L85 R86 V133A83-E108 PolarHBondContact O-N 3.22Å; V84-E108 HydrophobicContact CG1-CB 4.14Å; V84-E108 HydrophobicContact CG1-CG 4.32Å; V84-E108 HydrophobicContact CG2-CB 4.24Å; L85-E108 PolarHBondContact N-O 3.04Å; R86-E108 IonicContact CZ-OE1 3.62Å; R86-E108 IonicContact NE-OE1 3.32Å; R86-E108 PolarHBondContact NE-OE1 3.44Å; R86-E108 IonicContact NH2-OE1 2.98Å; R86-E108 PolarHBondContact NH2-OE1 2.89Å; E108-V133 WeakPolarHBondContact CA-O 3.2Å; E108-V133 HydrophobicContact CG-CB 4.46Å
109L95.7Very high92.5Very high0 Ų049.2 Ų49.20%023%0.234CC..EExtended strand (participates in β ladder)trans-123.8117.4172.3175.855.9000108.9L85 F100 L106 L111 F124 L131 V133 L134 D135L85-L109 HydrophobicContact CB-CD1 4.08Å; L85-L109 HydrophobicContact CD2-CD1 3.88Å; L85-L109 HydrophobicContact CG-CD1 3.95Å; L85-L109 WeakPolarHBondContact O-CA 3.02Å; F100-L109 HydrophobicContact CD1-CD2 4.33Å; F100-L109 HydrophobicContact CD2-CD2 3.98Å; F100-L109 HydrophobicContact CE1-CD1 3.94Å; F100-L109 HydrophobicContact CE1-CD2 3.88Å; F100-L109 HydrophobicContact CE2-CD2 3.49Å; F100-L109 VanDerWaalsContact CE2-CD2 3.49Å; F100-L109 HydrophobicContact CG-CD2 4.37Å; F100-L109 HydrophobicContact CZ-CD1 4.07Å; F100-L109 HydrophobicContact CZ-CD2 3.44Å; F100-L109 VanDerWaalsContact CZ-CD2 3.44Å; F100-L109 HydrophobicContact CZ-CG 4.39Å; L106-L109 HydrophobicContact CD2-CB 4.31Å; L109-L111 HydrophobicContact CD1-CD1 4.33Å; L109-L111 HydrophobicContact CD1-CG 4.13Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 4.16Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L109-F124 HydrophobicContact CD2-CD1 4.32Å; L109-F124 HydrophobicContact CD2-CE1 4Å; L109-L131 HydrophobicContact CB-CD1 3.85Å; L109-V133 PolarHBondContact N-O 3.46Å; L109-L134 HydrophobicContact CB-CD1 4.12Å; L109-L134 HydrophobicContact CD2-CD1 3.76Å; L109-L134 HydrophobicContact CG-CD1 3.89Å; L109-L134 WeakPolarHBondContact O-CA 3.25Å; L109-D135 PolarHBondContact O-N 3.35Å
110N96.4Very high92.7Very high17 Ų1752.6 Ų52.69%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-112.4114.2175.3-168.9-19.4000110.3L85 R86 L87 D88 S112 D135L85-N110 PolarHBondContact O-N 3.33Å; R86-N110 HydrophobicContact CG-CB 4.28Å; L87-N110 CarbonylContact C-O 3.46Å; L87-N110 WeakPolarHBondContact CA-O 3.38Å; L87-N110 PolarHBondContact N-O 3.39Å; D88-N110 PolarHBondContact N-O 2.91Å; N110-S112 VanDerWaalsContact OD1-CB 3.26Å; N110-S112 WeakPolarHBondContact OD1-CB 3.3Å; N110-S112 PolarHBondContact OD1-N 3.33Å; N110-S112 PolarHBondContact OD1-OG 2.97Å; N110-D135 HydrophobicContact CB-CB 4.49Å
111L96.4Very high92.5Very high0 Ų058 Ų580%027%0.27CS..  trans-117.916.9174.6-75.7163.9000111.1L87 I92 V95 F100 L109 N114 D135 L136 N139L87-L111 HydrophobicContact CB-CD2 3.81Å; L87-L111 HydrophobicContact CD1-CD2 3.83Å; L87-L111 HydrophobicContact CG-CD2 4.47Å; I92-L111 HydrophobicContact CD1-CD2 3.88Å; V95-L111 HydrophobicContact CG2-CD1 4.18Å; F100-L111 HydrophobicContact CZ-CD1 4.14Å; L109-L111 HydrophobicContact CD1-CD1 4.33Å; L109-L111 HydrophobicContact CD1-CG 4.13Å; L109-L111 HydrophobicContact CD2-CD1 4.06Å; L109-L111 HydrophobicContact CG-CD1 4.16Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.27Å; L111-D135 CarbonylContact C-O 3.09Å; L111-D135 WeakPolarHBondContact CA-O 3.41Å; L111-D135 WeakPolarHBondContact CB-O 3.18Å; L111-D135 PolarHBondContact N-O 3.25Å; L111-L136 HydrophobicContact CB-CD2 3.96Å; L111-L136 HydrophobicContact CD1-CD2 3.89Å; L111-N139 PolarHBondContact O-ND2 3.33Å
112S96.9Very high92.6Very high7 Ų750 Ų505%0.04925%0.245CC..  trans-62.3157.1-179.764.20000112.7D88 H89 N110 N114 D135 S137D88-S112 WeakPolarHBondContact CA-O 3.46Å; H89-S112 PolarHBondContact N-O 2.77Å; H89-S112 VanDerWaalsContact N-O 3.13Å; N110-S112 VanDerWaalsContact OD1-CB 3.26Å; N110-S112 WeakPolarHBondContact OD1-CB 3.3Å; N110-S112 PolarHBondContact OD1-N 3.33Å; N110-S112 PolarHBondContact OD1-OG 2.97Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 PolarHBondContact O-ND2 3.46Å; S112-D135 PolarHBondContact N-O 3.1Å; S112-S137 WeakPolarHBondContact CA-O 3.3Å; S112-S137 WeakPolarHBondContact CB-O 3.26Å; S112-S137 WeakPolarHBondContact CB-OG 3.39Å
113H96.9Very high92.9Very high77 Ų7748.3 Ų48.336%0.35623%0.228SC..SBendtrans53.843.8179.3-62.4-81.2000113.1H89 N90 S137 H138H89-H113 VanDerWaalsContact CA-O 3.26Å; H89-H113 WeakPolarHBondContact CA-O 2.99Å; H89-H113 AromaticContact CE1-CD2 3.66Å; H89-H113 PolarHBondContact N-O 3.06Å; H89-H113 AromaticContact NE2-CD2 3.7Å; H89-H113 AromaticContact NE2-CG 3.72Å; N90-H113 PolarHBondContact N-O 3.03Å; H113-S137 PolarHBondContact N-O 3.45Å; H113-S137 VanDerWaalsContact N-O 3.11Å; H113-H138 VanDerWaalsContact CA-O 3.29Å; H113-H138 WeakPolarHBondContact CA-O 3.14Å; H113-H138 AromaticContact CE1-CD2 3.27Å; H113-H138 PolarHBondContact CE1-CD2 3.49Å; H113-H138 AromaticContact CE1-CG 3.39Å; H113-H138 AromaticContact CE1-ND1 3.99Å; H113-H138 AromaticContact CE1-NE2 3.81Å; H113-H138 PolarHBondContact N-O 3.01Å; H113-H138 AromaticContact ND1-CD2 3.99Å; H113-H138 AromaticContact ND1-CG 3.74Å; H113-H138 AromaticContact NE2-CD2 3.31Å; H113-H138 PolarHBondContact NE2-CD2 3.06Å; H113-H138 VanDerWaalsContact NE2-CD2 3.31Å; H113-H138 AromaticContact NE2-CG 3.85Å; H113-H138 AromaticContact NE2-NE2 3.94Å
114N97.2Very high93Very high14 Ų1448.3 Ų48.38%0.07523%0.228CC..SBendtrans-110.8-167.7171-85.7-79.3000110L87 N90 Q91 I92 L111 S112 V116 N139L87-N114 PolarHBondContact O-ND2 3.31Å; N90-N114 WeakPolarHBondContact CA-OD1 3.42Å; N90-N114 WeakPolarHBondContact CB-OD1 3.45Å; N90-N114 PolarHBondContact N-OD1 2.85Å; N90-N114 PolarHBondContact O-OD1 3.36Å; Q91-N114 PolarHBondContact N-OD1 3.01Å; I92-N114 HydrophobicContact CB-CB 4.37Å; I92-N114 WeakPolarHBondContact CB-OD1 3.43Å; I92-N114 WeakPolarHBondContact CG1-OD1 3.34Å; I92-N114 PolarHBondContact N-OD1 3.27Å; L111-N114 WeakPolarHBondContact O-CB 3.45Å; L111-N114 PolarHBondContact O-ND2 3.27Å; S112-N114 VanDerWaalsContact C-N 3.28Å; S112-N114 PolarHBondContact O-N 2.94Å; S112-N114 PolarHBondContact O-ND2 3.46Å; N114-V116 HydrophobicContact CB-CG2 4.05Å; N114-N139 VanDerWaalsContact CA-OD1 3.25Å; N114-N139 WeakPolarHBondContact CA-OD1 3.42Å; N114-N139 WeakPolarHBondContact CB-OD1 3.44Å; N114-N139 PolarHBondContact N-OD1 3.31Å; N114-N139 PolarHBondContact O-OD1 2.89Å
115A96.7Very high93.1Very high22 Ų2240.6 Ų40.618%0.18220%0.204CC..  trans-116.732.4176.300000111I92 M93 E117 N139I92-A115 CarbonylContact O-C 3.5Å; I92-A115 WeakPolarHBondContact O-CA 3.33Å; I92-A115 PolarHBondContact O-N 2.62Å; M93-A115 WeakPolarHBondContact CA-O 3.39Å; M93-A115 HydrophobicContact CG-CB 4.46Å; A115-E117 PolarHBondContact O-N 3.49Å; A115-N139 PolarHBondContact N-OD1 2.04Å
116V96.8Very high93Very high0 Ų039.6 Ų39.60%021%0.207CC..  trans-66.3120.5-173.6-178.80000109I92 M93 V95 N114 L119 N139 R140 I141I92-V116 HydrophobicContact CB-CG2 4.43Å; I92-V116 HydrophobicContact CG2-CG2 4.22Å; I92-V116 WeakPolarHBondContact O-CA 3.34Å; I92-V116 WeakPolarHBondContact O-CG2 3.38Å; I92-V116 PolarHBondContact O-N 3.11Å; M93-V116 CarbonylContact O-C 3.51Å; M93-V116 WeakPolarHBondContact O-CA 3.35Å; V95-V116 HydrophobicContact CG2-CG1 4.19Å; V95-V116 HydrophobicContact CG2-CG2 4.49Å; N114-V116 HydrophobicContact CB-CG2 4.05Å; V116-L119 HydrophobicContact CG1-CD2 4.23Å; V116-L119 HydrophobicContact CG1-CG 4.26Å; V116-N139 HydrophobicContact CB-CB 4.26Å; V116-N139 WeakPolarHBondContact CB-OD1 3.49Å; V116-N139 WeakPolarHBondContact CG2-OD1 3.46Å; V116-N139 PolarHBondContact N-OD1 3.32Å; V116-R140 CarbonylContact O-C 3.51Å; V116-R140 VanDerWaalsContact O-CA 3.3Å; V116-R140 WeakPolarHBondContact O-CA 3.43Å; V116-R140 PolarHBondContact O-N 3.48Å; V116-I141 HydrophobicContact CB-CG1 4.34Å; V116-I141 HydrophobicContact CG1-CD1 4.48Å; V116-I141 HydrophobicContact CG1-CG1 4.16Å; V116-I141 VanDerWaalsContact O-CG1 3.3Å; V116-I141 WeakPolarHBondContact O-CG1 3.39Å; V116-I141 PolarHBondContact O-N 3.03Å
117E94.2Very high93Very high100 Ų10039.6 Ų39.647%0.46721%0.208SC..  trans-105.9-40.9178-70.3178.4-173.400110.7M93 A115 R140M93-E117 PolarHBondContact O-N 2.92Å; A115-E117 PolarHBondContact O-N 3.49Å; E117-R140 HydrophobicContact CG-CB 3.78Å
118T90.8Very high92.9Very high74 Ų7435 Ų3545%0.45419%0.192SC..EExtended strand (participates in β ladder)trans-118.8134.3-177.257.70000112.5A94 V95A94-T118 WeakPolarHBondContact CA-O 3.21Å; A94-T118 WeakPolarHBondContact CB-OG1 3.38Å; V95-T118 PolarHBondContact N-O 3.49Å; V95-T118 VanDerWaalsContact N-O 3.14Å
119L93.1Very high92.6Very high15 Ų1536.7 Ų36.78%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-119.2113.6172.2-75.6167.9000107.8V95 V116 F124 L136 I141 V144 F149V95-L119 HydrophobicContact CB-CD2 3.73Å; V95-L119 HydrophobicContact CG2-CD2 3.61Å; V116-L119 HydrophobicContact CG1-CD2 4.23Å; V116-L119 HydrophobicContact CG1-CG 4.26Å; L119-F124 HydrophobicContact CD2-CE2 4.33Å; L119-F124 HydrophobicContact CD2-CZ 4.08Å; L119-L136 HydrophobicContact CD1-CD1 3.97Å; L119-L136 HydrophobicContact CD2-CD2 4.48Å; L119-I141 HydrophobicContact CD1-CD1 3.72Å; L119-I141 HydrophobicContact CD1-CG1 4.36Å; L119-I141 HydrophobicContact CD1-CG2 4.35Å; L119-I141 HydrophobicContact CG-CD1 4.47Å; L119-V144 HydrophobicContact CD1-CG1 3.75Å; L119-F149 HydrophobicContact CD1-CZ 4.38Å
120E91.6Very high92.3Very high98 Ų9839 Ų3946%0.45823%0.23SC..  trans-69.8154.7176.4-63.3-67.516800111.4V95 D97 G122 A123V95-E120 PolarHBondContact O-N 3.25Å; D97-E120 WeakPolarHBondContact OD1-CB 3.26Å; E120-G122 PolarHBondContact O-N 3.07Å; E120-A123 WeakPolarHBondContact O-CB 3.2Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-A123 VanDerWaalsContact O-N 3.08Å
121E88.4Confident92Very high113 Ų11338.4 Ų38.453%0.52823%0.227SC..THydrogen-bonded Turntrans-56.8-37.3-175.3-176.8-176.8170.300112.6H145E121-H145 IonicContact OE1-CE1 3.85Å
122G87.4Confident91.7Very high16 Ų1643.9 Ų43.917%0.16525%0.252CS..THydrogen-bonded Turntrans-9915.6-179.500000114.3D97 H98 E120 F124 S125D97-G122 WeakPolarHBondContact OD1-CA 3.23Å; D97-G122 PolarHBondContact OD1-N 2.97Å; H98-G122 PolarHBondContact N-O 3.34Å; E120-G122 PolarHBondContact O-N 3.07Å; G122-F124 PolarHBondContact O-N 2.85Å; G122-S125 VanDerWaalsContact O-CB 3.24Å; G122-S125 WeakPolarHBondContact O-CB 3.26Å; G122-S125 PolarHBondContact O-N 2.86Å
123A90.6Very high91.5Very high0 Ų045.2 Ų45.20%026%0.26CS..THydrogen-bonded Turntrans-51.7-41.4-176.800000113.3V95 P96 F100 E120V95-A123 HydrophobicContact CB-CB 4.18Å; V95-A123 HydrophobicContact CG1-CB 3.73Å; P96-A123 WeakPolarHBondContact O-CA 3.03Å; F100-A123 WeakPolarHBondContact CD2-O 3.37Å; E120-A123 WeakPolarHBondContact O-CB 3.2Å; E120-A123 PolarHBondContact O-N 3.28Å; E120-A123 VanDerWaalsContact O-N 3.08Å
124F91.1Very high91.3Very high7 Ų741.5 Ų41.53%0.03124%0.243CC..THydrogen-bonded Turntrans-10015.9-179.1-52.6-69.3000113.7F100 L109 L119 G122 G126 V127 L134 L136 F149 L152F100-F124 HydrophobicContact CD2-CD1 4.07Å; F100-F124 HydrophobicContact CD2-CE1 4.47Å; F100-F124 HydrophobicContact CE2-CD1 4.02Å; F100-F124 AromaticContact CE2-CE1 3.96Å; F100-F124 HydrophobicContact CE2-CE1 3.96Å; L109-F124 HydrophobicContact CD2-CD1 4.32Å; L109-F124 HydrophobicContact CD2-CE1 4Å; L119-F124 HydrophobicContact CD2-CE2 4.33Å; L119-F124 HydrophobicContact CD2-CZ 4.08Å; G122-F124 PolarHBondContact O-N 2.85Å; F124-G126 PolarHBondContact O-N 3.4Å; F124-V127 HydrophobicContact CB-CG2 4.21Å; F124-V127 VanDerWaalsContact O-CG2 3.24Å; F124-V127 WeakPolarHBondContact O-CG2 3.45Å; F124-V127 PolarHBondContact O-N 2.76Å; F124-L134 HydrophobicContact CD1-CD2 4.24Å; F124-L134 HydrophobicContact CD2-CD2 4.4Å; F124-L134 HydrophobicContact CE1-CD1 3.73Å; F124-L134 HydrophobicContact CE1-CD2 3.72Å; F124-L134 HydrophobicContact CE1-CG 4.4Å; F124-L134 HydrophobicContact CE2-CD2 3.88Å; F124-L134 HydrophobicContact CZ-CD1 4.09Å; F124-L134 HydrophobicContact CZ-CD2 3.53Å; F124-L134 HydrophobicContact CZ-CG 4.44Å; F124-L136 HydrophobicContact CZ-CD1 4.17Å; F124-F149 HydrophobicContact CE2-CE1 4.15Å; F124-L152 HydrophobicContact CB-CD1 4.24Å; F124-L152 HydrophobicContact CB-CD2 3.83Å; F124-L152 HydrophobicContact CB-CG 4.5Å; F124-L152 HydrophobicContact CD2-CD1 3.87Å; F124-L152 HydrophobicContact CG-CD1 4.05Å; F124-L152 HydrophobicContact CG-CD2 4.49Å
125S90Very high91.1Very high33 Ų3342.1 Ų42.123%0.23125%0.246CC..THydrogen-bonded Turntrans-70126.7-177.8-174.80000112H98 G122 E128H98-S125 WeakPolarHBondContact ND1-CB 3.48Å; G122-S125 VanDerWaalsContact O-CB 3.24Å; G122-S125 WeakPolarHBondContact O-CB 3.26Å; G122-S125 PolarHBondContact O-N 2.86Å; S125-E128 VanDerWaalsContact CA-OE1 3.27Å; S125-E128 WeakPolarHBondContact CA-OE1 3.31Å; S125-E128 PolarHBondContact OG-OE1 2.67Å
126G86.8Confident91Very high37 Ų3741.1 Ų41.138%0.38124%0.238SC..THydrogen-bonded Turntrans101.1-7.5-176.600000114.9F124 E128F124-G126 PolarHBondContact O-N 3.4Å; G126-E128 WeakPolarHBondContact CA-OE2 3.02Å; G126-E128 VanDerWaalsContact N-CD 3.29Å; G126-E128 PolarHBondContact N-OE1 3.49Å; G126-E128 PolarHBondContact N-OE2 2.9Å
127V91Very high90.9Very high1 Ų141.7 Ų41.71%0.00624%0.242CC..  trans-121.15.6175.8-61.50000113F100 L103 L106 F124 A129 T130 L131F100-V127 HydrophobicContact CB-CG1 3.89Å; F100-V127 HydrophobicContact CB-CG2 4.27Å; L103-V127 HydrophobicContact CB-CG1 4.29Å; L103-V127 WeakPolarHBondContact O-CG1 3.45Å; L106-V127 HydrophobicContact CB-CG1 4.22Å; L106-V127 HydrophobicContact CD2-CG1 4.17Å; F124-V127 HydrophobicContact CB-CG2 4.21Å; F124-V127 VanDerWaalsContact O-CG2 3.24Å; F124-V127 WeakPolarHBondContact O-CG2 3.45Å; F124-V127 PolarHBondContact O-N 2.76Å; V127-A129 PolarHBondContact O-N 2.85Å; V127-T130 PolarHBondContact O-N 3.19Å; V127-L131 HydrophobicContact CG2-CD2 4.48Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 PolarHBondContact O-N 3.44Å
128E88.9Confident90.9Very high48 Ų4840.6 Ų40.622%0.22424%0.237CC..THydrogen-bonded Turntrans-62.3-31.4-171.2-50.595.3145.200113.2S125 G126 R151 L152S125-E128 VanDerWaalsContact CA-OE1 3.27Å; S125-E128 WeakPolarHBondContact CA-OE1 3.31Å; S125-E128 PolarHBondContact OG-OE1 2.67Å; G126-E128 WeakPolarHBondContact CA-OE2 3.02Å; G126-E128 VanDerWaalsContact N-CD 3.29Å; G126-E128 PolarHBondContact N-OE1 3.49Å; G126-E128 PolarHBondContact N-OE2 2.9Å; E128-R151 HydrophobicContact CB-CB 4.4Å; E128-R151 HydrophobicContact CG-CB 4.1Å; E128-L152 HydrophobicContact CB-CD2 4.07Å; E128-L152 HydrophobicContact CG-CD2 4.08Å
129A86.9Confident91.2Very high91 Ų9137.6 Ų37.675%0.75222%0.218SC*.THydrogen-bonded Turntrans-86.2-23.4-177.800000114V127V127-A129 PolarHBondContact O-N 2.85Å
130T89.8Confident91.3Very high49 Ų4944 Ų4430%0.30124%0.241SC..THydrogen-bonded Turntrans-108.4-25.9-172.157.70000113.4R104 L106 V127 Q132R104-T130 WeakPolarHBondContact O-CG2 3.49Å; R104-T130 PolarHBondContact O-OG1 2.88Å; L106-T130 CarbonylContact O-C 3.12Å; L106-T130 WeakPolarHBondContact O-CB 3.1Å; L106-T130 VanDerWaalsContact O-O 3.11Å; L106-T130 PolarHBondContact O-OG1 2.74Å; V127-T130 PolarHBondContact O-N 3.19Å; T130-Q132 PolarHBondContact O-N 3.23Å
131L90.9Very high91.5Very high5 Ų539.3 Ų39.33%0.02622%0.219CC..  trans-64.9129.9179.1-162.870.2000110L106 L109 V127 L134 L152 A154L106-L131 HydrophobicContact CD2-CD1 4.05Å; L106-L131 HydrophobicContact CG-CD1 4.03Å; L106-L131 WeakPolarHBondContact O-CA 3.35Å; L106-L131 PolarHBondContact O-N 3.32Å; L109-L131 HydrophobicContact CB-CD1 3.85Å; V127-L131 HydrophobicContact CG2-CD2 4.48Å; V127-L131 VanDerWaalsContact O-CB 3.23Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 PolarHBondContact O-N 3.44Å; L131-L134 HydrophobicContact CD2-CB 3.98Å; L131-L152 HydrophobicContact CD2-CD2 4.49Å; L131-A154 HydrophobicContact CB-CB 4.14Å; L131-A154 HydrophobicContact CD2-CB 4.13Å; L131-A154 HydrophobicContact CG-CB 3.93Å; L131-A154 WeakPolarHBondContact O-CB 3.47Å
132Q90.5Very high91.7Very high114 Ų11437 Ų3753%0.53321%0.213SC..  trans-112.2-34.2-179-62.3-177.5-11.900111.5R107 T130 A154 R155R107-Q132 HydrophobicContact CB-CG 4.3Å; R107-Q132 WeakPolarHBondContact O-CA 3.26Å; R107-Q132 WeakPolarHBondContact O-CB 3.29Å; R107-Q132 PolarHBondContact O-N 3.03Å; T130-Q132 PolarHBondContact O-N 3.23Å; Q132-A154 CarbonylContact O-C 3.01Å; Q132-A154 WeakPolarHBondContact O-CA 3.49Å; Q132-R155 PolarHBondContact O-N 3.35Å
133V90.8Very high91.8Very high35 Ų3539 Ų3921%0.21222%0.224CC..EExtended strand (participates in β ladder)trans-137.7128.6178.9-176.20000109.3R107 E108 L109 R155R107-V133 PolarHBondContact O-N 3.48Å; E108-V133 WeakPolarHBondContact CA-O 3.2Å; E108-V133 HydrophobicContact CG-CB 4.46Å; L109-V133 PolarHBondContact N-O 3.46Å; V133-R155 WeakPolarHBondContact CA-O 3.02Å
134L93.1Very high91.8Very high0 Ų039.3 Ų39.30%023%0.226CC..EExtended strand (participates in β ladder)trans-123.7120.6172.517358.8000108.1L109 F124 L131 L136 F149 L152 R155 V156 L157L109-L134 HydrophobicContact CB-CD1 4.12Å; L109-L134 HydrophobicContact CD2-CD1 3.76Å; L109-L134 HydrophobicContact CG-CD1 3.89Å; L109-L134 WeakPolarHBondContact O-CA 3.25Å; F124-L134 HydrophobicContact CD1-CD2 4.24Å; F124-L134 HydrophobicContact CD2-CD2 4.4Å; F124-L134 HydrophobicContact CE1-CD1 3.73Å; F124-L134 HydrophobicContact CE1-CD2 3.72Å; F124-L134 HydrophobicContact CE1-CG 4.4Å; F124-L134 HydrophobicContact CE2-CD2 3.88Å; F124-L134 HydrophobicContact CZ-CD1 4.09Å; F124-L134 HydrophobicContact CZ-CD2 3.53Å; F124-L134 HydrophobicContact CZ-CG 4.44Å; L131-L134 HydrophobicContact CD2-CB 3.98Å; L134-L136 HydrophobicContact CD1-CD1 4.43Å; L134-L136 HydrophobicContact CD1-CD2 4.47Å; L134-L136 HydrophobicContact CD1-CG 4.08Å; L134-L136 HydrophobicContact CD2-CD1 3.9Å; L134-L136 HydrophobicContact CD2-CG 4.41Å; L134-L136 HydrophobicContact CG-CD1 4.11Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L134-F149 HydrophobicContact CD2-CE1 4.42Å; L134-L152 HydrophobicContact CD2-CD1 3.91Å; L134-R155 PolarHBondContact N-O 3.4Å; L134-V156 HydrophobicContact CB-CG2 4.34Å; L134-V156 HydrophobicContact CD2-CG1 4.09Å; L134-V156 HydrophobicContact CD2-CG2 4.28Å; L134-V156 HydrophobicContact CG-CG1 4.35Å; L134-V156 CarbonylContact O-C 3.06Å; L134-V156 WeakPolarHBondContact O-CA 3.39Å; L134-L157 PolarHBondContact O-N 2.93Å
135D94.1Very high91.8Very high27 Ų2742.4 Ų42.414%0.14424%0.24CC..EExtended strand (participates in β ladder)trans-112.4113175.9-165.6-14.1000110.6L109 N110 L111 S112 S137 L157L109-D135 PolarHBondContact O-N 3.35Å; N110-D135 HydrophobicContact CB-CB 4.49Å; L111-D135 CarbonylContact C-O 3.09Å; L111-D135 WeakPolarHBondContact CA-O 3.41Å; L111-D135 WeakPolarHBondContact CB-O 3.18Å; L111-D135 PolarHBondContact N-O 3.25Å; S112-D135 PolarHBondContact N-O 3.1Å; D135-S137 VanDerWaalsContact OD1-CB 3.23Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 3.34Å; D135-S137 PolarHBondContact OD1-OG 3.25Å; D135-L157 HydrophobicContact CB-CB 4.49Å; D135-L157 HydrophobicContact CB-CD1 4.32Å
136L94.3Very high91.7Very high0 Ų045.1 Ų45.10%025%0.248CC..  trans-115.814.6175.6-68.8165.9000111.2L111 L119 F124 L134 N139 I141 F149 L157 V158 N161L111-L136 HydrophobicContact CB-CD2 3.96Å; L111-L136 HydrophobicContact CD1-CD2 3.89Å; L119-L136 HydrophobicContact CD1-CD1 3.97Å; L119-L136 HydrophobicContact CD2-CD2 4.48Å; F124-L136 HydrophobicContact CZ-CD1 4.17Å; L134-L136 HydrophobicContact CD1-CD1 4.43Å; L134-L136 HydrophobicContact CD1-CD2 4.47Å; L134-L136 HydrophobicContact CD1-CG 4.08Å; L134-L136 HydrophobicContact CD2-CD1 3.9Å; L134-L136 HydrophobicContact CD2-CG 4.41Å; L134-L136 HydrophobicContact CG-CD1 4.11Å; L134-L136 HydrophobicContact CG-CG 4.09Å; L136-N139 PolarHBondContact O-ND2 3.49Å; L136-I141 HydrophobicContact CB-CD1 4.13Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD2-CD1 4.47Å; L136-F149 HydrophobicContact CD1-CE1 4Å; L136-F149 HydrophobicContact CD1-CZ 4.17Å; L136-L157 WeakPolarHBondContact CA-O 3.38Å; L136-L157 PolarHBondContact N-O 3.23Å; L136-V158 HydrophobicContact CB-CG1 4.31Å; L136-V158 HydrophobicContact CD1-CG1 4.4Å; L136-N161 PolarHBondContact O-ND2 3.21Å
137S94.3Very high91.7Very high13 Ų1346.3 Ų46.39%0.09125%0.246CC..  trans-63.6156.3-17862.60000112.9S112 H113 D135 N139 D159S112-S137 WeakPolarHBondContact CA-O 3.3Å; S112-S137 WeakPolarHBondContact CB-O 3.26Å; S112-S137 WeakPolarHBondContact CB-OG 3.39Å; H113-S137 PolarHBondContact N-O 3.45Å; H113-S137 VanDerWaalsContact N-O 3.11Å; D135-S137 VanDerWaalsContact OD1-CB 3.23Å; D135-S137 WeakPolarHBondContact OD1-CB 3.41Å; D135-S137 PolarHBondContact OD1-N 3.34Å; D135-S137 PolarHBondContact OD1-OG 3.25Å; S137-N139 PolarHBondContact O-N 2.86Å; S137-N139 PolarHBondContact O-ND2 3.03Å; S137-D159 CarbonylContact C-O 3.58Å; S137-D159 WeakPolarHBondContact CA-O 3.32Å
138H95.2Very high91.4Very high77 Ų7746.7 Ų46.736%0.35625%0.249SC..SBendtrans54.248179-59.7-72.3000113.4H113 D159 D160H113-H138 VanDerWaalsContact CA-O 3.29Å; H113-H138 WeakPolarHBondContact CA-O 3.14Å; H113-H138 AromaticContact CE1-CD2 3.27Å; H113-H138 PolarHBondContact CE1-CD2 3.49Å; H113-H138 AromaticContact CE1-CG 3.39Å; H113-H138 AromaticContact CE1-ND1 3.99Å; H113-H138 AromaticContact CE1-NE2 3.81Å; H113-H138 PolarHBondContact N-O 3.01Å; H113-H138 AromaticContact ND1-CD2 3.99Å; H113-H138 AromaticContact ND1-CG 3.74Å; H113-H138 AromaticContact NE2-CD2 3.31Å; H113-H138 PolarHBondContact NE2-CD2 3.06Å; H113-H138 VanDerWaalsContact NE2-CD2 3.31Å; H113-H138 AromaticContact NE2-CG 3.85Å; H113-H138 AromaticContact NE2-NE2 3.94Å; H138-D159 PolarHBondContact N-O 3.37Å; H138-D160 WeakPolarHBondContact CA-O 3.42Å; H138-D160 VanDerWaalsContact CE1-CG 3.48Å; H138-D160 IonicContact CE1-OD2 3.03Å; H138-D160 PolarHBondContact CE1-OD2 2.88Å; H138-D160 PolarHBondContact N-O 2.89Å; H138-D160 VanDerWaalsContact ND1-CB 3.33Å; H138-D160 WeakPolarHBondContact ND1-CB 3.49Å; H138-D160 IonicContact ND1-OD2 3.68Å; H138-D160 IonicContact NE2-OD2 3.55Å
139N96.5Very high91.3Very high10 Ų1044.4 Ų44.45%0.05324%0.238CC..SBendtrans-115.9-164174.4-86.9-73.8000110.5L111 N114 A115 V116 L136 S137 I141 N161L111-N139 PolarHBondContact O-ND2 3.33Å; N114-N139 VanDerWaalsContact CA-OD1 3.25Å; N114-N139 WeakPolarHBondContact CA-OD1 3.42Å; N114-N139 WeakPolarHBondContact CB-OD1 3.44Å; N114-N139 PolarHBondContact N-OD1 3.31Å; N114-N139 PolarHBondContact O-OD1 2.89Å; A115-N139 PolarHBondContact N-OD1 2.04Å; V116-N139 HydrophobicContact CB-CB 4.26Å; V116-N139 WeakPolarHBondContact CB-OD1 3.49Å; V116-N139 WeakPolarHBondContact CG2-OD1 3.46Å; V116-N139 PolarHBondContact N-OD1 3.32Å; L136-N139 PolarHBondContact O-ND2 3.49Å; S137-N139 PolarHBondContact O-N 2.86Å; S137-N139 PolarHBondContact O-ND2 3.03Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.13Å; N139-N161 WeakPolarHBondContact CA-OD1 3.42Å; N139-N161 WeakPolarHBondContact CB-OD1 3.33Å; N139-N161 PolarHBondContact N-OD1 2.98Å; N139-N161 PolarHBondContact O-OD1 3.33Å
140R96Very high91.1Very high149 Ų14942.2 Ų42.256%0.56222%0.22SC*.  trans-120.326.6-179.1-62.9-175.5178.7-152.4-1.8112.3V116 E117 T142 N161V116-R140 CarbonylContact O-C 3.51Å; V116-R140 VanDerWaalsContact O-CA 3.3Å; V116-R140 WeakPolarHBondContact O-CA 3.43Å; V116-R140 PolarHBondContact O-N 3.48Å; E117-R140 HydrophobicContact CG-CB 3.78Å; R140-T142 PolarHBondContact O-N 3.11Å; R140-N161 PolarHBondContact N-OD1 3.41Å
141I94.8Very high90.8Very high0 Ų048.2 Ų48.20%024%0.237CC..  trans-72125.2-175.5-54.4162.4000108.6V116 L119 L136 N139 V144 N161 P162 W163V116-I141 HydrophobicContact CB-CG1 4.34Å; V116-I141 HydrophobicContact CG1-CD1 4.48Å; V116-I141 HydrophobicContact CG1-CG1 4.16Å; V116-I141 VanDerWaalsContact O-CG1 3.3Å; V116-I141 WeakPolarHBondContact O-CG1 3.39Å; V116-I141 PolarHBondContact O-N 3.03Å; L119-I141 HydrophobicContact CD1-CD1 3.72Å; L119-I141 HydrophobicContact CD1-CG1 4.36Å; L119-I141 HydrophobicContact CD1-CG2 4.35Å; L119-I141 HydrophobicContact CG-CD1 4.47Å; L136-I141 HydrophobicContact CB-CD1 4.13Å; L136-I141 HydrophobicContact CD1-CD1 4.48Å; L136-I141 HydrophobicContact CD2-CD1 4.47Å; N139-I141 HydrophobicContact CB-CD1 4.18Å; N139-I141 HydrophobicContact CB-CG1 4.13Å; I141-V144 HydrophobicContact CG2-CG1 3.87Å; I141-N161 HydrophobicContact CB-CB 4.42Å; I141-N161 WeakPolarHBondContact CB-OD1 3.39Å; I141-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I141-N161 PolarHBondContact N-OD1 2.93Å; I141-P162 CarbonylContact O-C 3.49Å; I141-P162 WeakPolarHBondContact O-CD 3.4Å; I141-W163 HydrophobicContact CB-CH2 3.89Å; I141-W163 HydrophobicContact CB-CZ2 4.32Å; I141-W163 HydrophobicContact CB-CZ3 4.19Å; I141-W163 HydrophobicContact CD1-CH2 4.37Å; I141-W163 HydrophobicContact CG2-CE3 4.36Å; I141-W163 HydrophobicContact CG2-CH2 3.47Å; I141-W163 VanDerWaalsContact CG2-CH2 3.47Å; I141-W163 HydrophobicContact CG2-CZ2 4.37Å; I141-W163 HydrophobicContact CG2-CZ3 3.48Å; I141-W163 VanDerWaalsContact CG2-CZ3 3.48Å
142T92.5Very high90.5Very high66 Ų6648.7 Ų48.741%0.40524%0.24SC..  trans-97.5-45.4176.952.90000111.4R140 P162 H164R140-T142 PolarHBondContact O-N 3.11Å; T142-P162 HydrophobicContact CG2-CG 4.26Å; T142-H164 WeakPolarHBondContact O-CB 3.35Å; T142-H164 PolarHBondContact O-N 2.96Å
143S89.9Confident90.2Very high57 Ų5751.3 Ų51.340%0.39925%0.249SC..  trans-143.2152.4-177.3580000110.7
144V91.3Very high90Very high6 Ų649.7 Ų49.74%0.03624%0.239CC..  trans-128.9152.2175.7-74.50000110.2L119 I141 A148 F149 W163 L169 A172L119-V144 HydrophobicContact CD1-CG1 3.75Å; I141-V144 HydrophobicContact CG2-CG1 3.87Å; V144-A148 HydrophobicContact CB-CB 4.41Å; V144-F149 HydrophobicContact CB-CE2 4.23Å; V144-F149 HydrophobicContact CG1-CE2 4.06Å; V144-F149 HydrophobicContact CG1-CZ 4.01Å; V144-F149 HydrophobicContact CG2-CE2 3.88Å; V144-W163 HydrophobicContact CG1-CH2 4.03Å; V144-W163 HydrophobicContact CG1-CZ3 3.88Å; V144-W163 HydrophobicContact CG2-CZ3 4.13Å; V144-L169 HydrophobicContact CG2-CD1 3.8Å; V144-A172 HydrophobicContact CG2-CB 3.57Å
145H90.8Very high89.8Confident72 Ų7255.2 Ų55.233%0.33326%0.26SS..  trans-64.2143.6172.1-166.7-101.4000110.5E121 D147 A148E121-H145 IonicContact OE1-CE1 3.85Å; H145-D147 IonicContact CE1-OD2 3.45Å; H145-D147 PolarHBondContact CE1-OD2 3.28Å; H145-D147 PolarHBondContact ND1-N 3.13Å; H145-D147 IonicContact ND1-OD2 3.86Å; H145-D147 PolarHBondContact O-N 3.37Å; H145-A148 HydrophobicContact CB-CB 4.34Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.24Å
146K87.3Confident89.6Confident91 Ų9154 Ų5440%0.39625%0.254SS..THydrogen-bonded Turntrans-53.5-29.318063.2179.5-178.2-178.10113.8Q171 A172K146-Q171 HydrophobicContact CB-CB 3.82Å; K146-A172 WeakPolarHBondContact O-CA 3.12Å
147D86.6Confident89.4Confident62 Ų6255.2 Ų55.233%0.33226%0.26SS..THydrogen-bonded Turntrans-99.7-2.3-176.9-63.2-53.1000113.4H145 F149 A150H145-D147 IonicContact CE1-OD2 3.45Å; H145-D147 PolarHBondContact CE1-OD2 3.28Å; H145-D147 PolarHBondContact ND1-N 3.13Å; H145-D147 IonicContact ND1-OD2 3.86Å; H145-D147 PolarHBondContact O-N 3.37Å; D147-F149 PolarHBondContact O-N 3.3Å; D147-A150 PolarHBondContact O-N 3Å
148A85.7Confident89.2Confident8 Ų854.6 Ų54.67%0.06626%0.256CS..THydrogen-bonded Turntrans-57.8-36.6-174.300000112.8V144 H145V144-A148 HydrophobicContact CB-CB 4.41Å; H145-A148 HydrophobicContact CB-CB 4.34Å; H145-A148 WeakPolarHBondContact O-CB 3.49Å; H145-A148 PolarHBondContact O-N 3.24Å
149F86.3Confident89Confident1 Ų151.9 Ų51.90%0.00424%0.244CC..THydrogen-bonded Turntrans-109.7-11179.3-51.4-51.2000113.7L119 F124 L134 L136 V144 D147 R151 L152 V156 V158 A172 M176L119-F149 HydrophobicContact CD1-CZ 4.38Å; F124-F149 HydrophobicContact CE2-CE1 4.15Å; L134-F149 HydrophobicContact CD2-CE1 4.42Å; L136-F149 HydrophobicContact CD1-CE1 4Å; L136-F149 HydrophobicContact CD1-CZ 4.17Å; V144-F149 HydrophobicContact CB-CE2 4.23Å; V144-F149 HydrophobicContact CG1-CE2 4.06Å; V144-F149 HydrophobicContact CG1-CZ 4.01Å; V144-F149 HydrophobicContact CG2-CE2 3.88Å; D147-F149 PolarHBondContact O-N 3.3Å; F149-R151 PolarHBondContact O-N 3.39Å; F149-R151 VanDerWaalsContact O-N 3.15Å; F149-L152 HydrophobicContact CD1-CD1 4.05Å; F149-L152 PolarHBondContact O-N 3.45Å; F149-V156 HydrophobicContact CD1-CG1 4.21Å; F149-V156 HydrophobicContact CD1-CG2 4.49Å; F149-V156 HydrophobicContact CE1-CG1 4.09Å; F149-V156 HydrophobicContact CZ-CG1 4.44Å; F149-V158 HydrophobicContact CE2-CG1 4.46Å; F149-V158 HydrophobicContact CZ-CG1 4.18Å; F149-A172 HydrophobicContact CD2-CB 4.39Å; F149-M176 HydrophobicContact CB-CG 3.7Å; F149-M176 HydrophobicContact CB-SD 3.81Å; F149-M176 HydrophobicContact CD2-CG 4.46Å; F149-M176 HydrophobicContact CD2-SD 3.77Å; F149-M176 HydrophobicContact CG-CG 4.4Å; F149-M176 HydrophobicContact CG-SD 3.88Å
150A82.1Confident88.7Confident45 Ų4556.6 Ų56.637%0.37227%0.269SS..THydrogen-bonded Turntrans-61.5-29.5-172.600000113.4D147D147-A150 PolarHBondContact O-N 3Å
151R83.4Confident88.6Confident175 Ų17550 Ų5066%0.6625%0.245SC*.THydrogen-bonded Turntrans-88.7-14.2178.8-61.2-175-177.7-174.44.5113.4E128 F149E128-R151 HydrophobicContact CB-CB 4.4Å; E128-R151 HydrophobicContact CG-CB 4.1Å; F149-R151 PolarHBondContact O-N 3.39Å; F149-R151 VanDerWaalsContact O-N 3.15Å
152L85.1Confident88.5Confident15 Ų1552.1 Ų52.18%0.07926%0.259CS..  trans-82.6129.1-176.5-61.8-178.3000110.5F124 E128 L131 L134 F149 A154 V156F124-L152 HydrophobicContact CB-CD1 4.24Å; F124-L152 HydrophobicContact CB-CD2 3.83Å; F124-L152 HydrophobicContact CB-CG 4.5Å; F124-L152 HydrophobicContact CD2-CD1 3.87Å; F124-L152 HydrophobicContact CG-CD1 4.05Å; F124-L152 HydrophobicContact CG-CD2 4.49Å; E128-L152 HydrophobicContact CB-CD2 4.07Å; E128-L152 HydrophobicContact CG-CD2 4.08Å; L131-L152 HydrophobicContact CD2-CD2 4.49Å; L134-L152 HydrophobicContact CD2-CD1 3.91Å; F149-L152 HydrophobicContact CD1-CD1 4.05Å; F149-L152 PolarHBondContact O-N 3.45Å; L152-A154 VanDerWaalsContact C-N 3.32Å; L152-V156 HydrophobicContact CD1-CG2 4.4Å
153K85Confident88.5Confident168 Ų16849 Ų4973%0.7324%0.24SC*.  trans-91.3-1.2169.1-62.7-178.5-178.7178.60112.8
154A86.4Confident88.4Confident1 Ų148.9 Ų48.91%0.00823%0.233CC..SBendtrans-70.8155.5-177.500000112L131 Q132 L152 V156 N179L131-A154 HydrophobicContact CB-CB 4.14Å; L131-A154 HydrophobicContact CD2-CB 4.13Å; L131-A154 HydrophobicContact CG-CB 3.93Å; L131-A154 WeakPolarHBondContact O-CB 3.47Å; Q132-A154 CarbonylContact O-C 3.01Å; Q132-A154 WeakPolarHBondContact O-CA 3.49Å; L152-A154 VanDerWaalsContact C-N 3.32Å; A154-V156 PolarHBondContact O-N 2.95Å; A154-N179 PolarHBondContact O-ND2 3.2Å
155R88.4Confident88.2Confident116 Ų11648.6 Ų48.644%0.43823%0.231SC..EExtended strand (participates in β ladder)trans-71.7109.4161.5-170.3169.565.1105.76.9109.6Q132 V133 L134 N179Q132-R155 PolarHBondContact O-N 3.35Å; V133-R155 WeakPolarHBondContact CA-O 3.02Å; L134-R155 PolarHBondContact N-O 3.4Å; R155-N179 WeakPolarHBondContact CA-ND2 3.45Å
156V89.9Confident88Confident2 Ų246.4 Ų46.41%0.01222%0.222CC..EExtended strand (participates in β ladder)trans-98.2124-178.5-175.30000109.2L134 F149 L152 A154 V158 M176 A182L134-V156 HydrophobicContact CB-CG2 4.34Å; L134-V156 HydrophobicContact CD2-CG1 4.09Å; L134-V156 HydrophobicContact CD2-CG2 4.28Å; L134-V156 HydrophobicContact CG-CG1 4.35Å; L134-V156 CarbonylContact O-C 3.06Å; L134-V156 WeakPolarHBondContact O-CA 3.39Å; F149-V156 HydrophobicContact CD1-CG1 4.21Å; F149-V156 HydrophobicContact CD1-CG2 4.49Å; F149-V156 HydrophobicContact CE1-CG1 4.09Å; F149-V156 HydrophobicContact CZ-CG1 4.44Å; L152-V156 HydrophobicContact CD1-CG2 4.4Å; A154-V156 PolarHBondContact O-N 2.95Å; V156-V158 HydrophobicContact CG1-CG1 3.83Å; V156-M176 HydrophobicContact CB-SD 3.85Å; V156-M176 HydrophobicContact CG1-SD 4.15Å; V156-M176 HydrophobicContact CG2-SD 4.17Å; V156-A182 WeakPolarHBondContact O-CB 3.48Å
157L90.4Very high87.9Confident25 Ų2543.6 Ų43.613%0.13121%0.214CC..EExtended strand (participates in β ladder)trans-105.6123.3173.6-57.5171.1000108.2L134 D135 L136L134-L157 PolarHBondContact O-N 2.93Å; D135-L157 HydrophobicContact CB-CB 4.49Å; D135-L157 HydrophobicContact CB-CD1 4.32Å; L136-L157 WeakPolarHBondContact CA-O 3.38Å; L136-L157 PolarHBondContact N-O 3.23Å
158V90.4Very high87.9Confident0 Ų043.3 Ų43.30%021%0.214CC..  trans-132.717.1-170.9-84.50000111.8L136 F149 V156 N161 W163 L173 M176 V186L136-V158 HydrophobicContact CB-CG1 4.31Å; L136-V158 HydrophobicContact CD1-CG1 4.4Å; F149-V158 HydrophobicContact CE2-CG1 4.46Å; F149-V158 HydrophobicContact CZ-CG1 4.18Å; V156-V158 HydrophobicContact CG1-CG1 3.83Å; V158-N161 PolarHBondContact O-ND2 2.97Å; V158-W163 HydrophobicContact CB-CH2 4.45Å; V158-W163 HydrophobicContact CB-CZ2 3.63Å; V158-W163 HydrophobicContact CG1-CH2 4.26Å; V158-W163 HydrophobicContact CG1-CZ2 3.88Å; V158-W163 PolarHBondContact O-NE1 3.05Å; V158-L173 HydrophobicContact CG2-CD2 4.48Å; V158-M176 HydrophobicContact CG2-CE 4.5Å; V158-V186 HydrophobicContact CG2-CG2 3.95Å
159D89.2Confident88Confident20 Ų2043 Ų4311%0.10721%0.211CC..  trans-60.8156.6-178.6-46.4-103.4000111.6S137 H138 N161 R185S137-D159 CarbonylContact C-O 3.58Å; S137-D159 WeakPolarHBondContact CA-O 3.32Å; H138-D159 PolarHBondContact N-O 3.37Å; D159-N161 PolarHBondContact O-N 2.66Å; D159-N161 PolarHBondContact O-ND2 2.91Å; D159-R185 WeakPolarHBondContact OD1-CB 3.49Å; D159-R185 WeakPolarHBondContact OD1-CD 3.23Å
160D91.4Very high87.9Confident110 Ų11044.9 Ų44.959%0.58822%0.22SC*.SBendtrans52.947.8171.9-66.6-57.8000115.1H138H138-D160 WeakPolarHBondContact CA-O 3.42Å; H138-D160 VanDerWaalsContact CE1-CG 3.48Å; H138-D160 IonicContact CE1-OD2 3.03Å; H138-D160 PolarHBondContact CE1-OD2 2.88Å; H138-D160 PolarHBondContact N-O 2.89Å; H138-D160 VanDerWaalsContact ND1-CB 3.33Å; H138-D160 WeakPolarHBondContact ND1-CB 3.49Å; H138-D160 IonicContact ND1-OD2 3.68Å; H138-D160 IonicContact NE2-OD2 3.55Å
161N93.3Very high88Confident11 Ų1147 Ų476%0.05922%0.222CC..  trans-121.2150.4170.9-83.7-89.4000109.9L136 N139 R140 I141 V158 D159 W163L136-N161 PolarHBondContact O-ND2 3.21Å; N139-N161 WeakPolarHBondContact CA-OD1 3.42Å; N139-N161 WeakPolarHBondContact CB-OD1 3.33Å; N139-N161 PolarHBondContact N-OD1 2.98Å; N139-N161 PolarHBondContact O-OD1 3.33Å; R140-N161 PolarHBondContact N-OD1 3.41Å; I141-N161 HydrophobicContact CB-CB 4.42Å; I141-N161 WeakPolarHBondContact CB-OD1 3.39Å; I141-N161 WeakPolarHBondContact CG1-OD1 3.44Å; I141-N161 PolarHBondContact N-OD1 2.93Å; V158-N161 PolarHBondContact O-ND2 2.97Å; D159-N161 PolarHBondContact O-N 2.66Å; D159-N161 PolarHBondContact O-ND2 2.91Å; N161-W163 HydrophobicContact CB-CD2 4.21Å; N161-W163 HydrophobicContact CB-CG 4.34Å; N161-W163 HydrophobicContact CB-CZ2 3.81Å; N161-W163 VanDerWaalsContact CB-NE1 3.34Å; N161-W163 PolarHBondContact O-N 3.36Å
162P93.4Very high88.2Confident44 Ų4438.7 Ų38.729%0.28619%0.191SC..  trans-76.459.9179.934.5-37.6000112.1I141 T142 H164 R189I141-P162 CarbonylContact O-C 3.49Å; I141-P162 WeakPolarHBondContact O-CD 3.4Å; T142-P162 HydrophobicContact CG2-CG 4.26Å; P162-H164 PolarHBondContact O-N 2.88Å; P162-R189 HydrophobicContact CB-CB 4.24Å; P162-R189 HydrophobicContact CB-CG 4.25Å
163W91.1Very high88Confident1 Ų138.3 Ų38.30%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-59.6130.6-174-66.8107.3000112.8I141 V144 V158 N161 L169 V186 R189 S190I141-W163 HydrophobicContact CB-CH2 3.89Å; I141-W163 HydrophobicContact CB-CZ2 4.32Å; I141-W163 HydrophobicContact CB-CZ3 4.19Å; I141-W163 HydrophobicContact CD1-CH2 4.37Å; I141-W163 HydrophobicContact CG2-CE3 4.36Å; I141-W163 HydrophobicContact CG2-CH2 3.47Å; I141-W163 VanDerWaalsContact CG2-CH2 3.47Å; I141-W163 HydrophobicContact CG2-CZ2 4.37Å; I141-W163 HydrophobicContact CG2-CZ3 3.48Å; I141-W163 VanDerWaalsContact CG2-CZ3 3.48Å; V144-W163 HydrophobicContact CG1-CH2 4.03Å; V144-W163 HydrophobicContact CG1-CZ3 3.88Å; V144-W163 HydrophobicContact CG2-CZ3 4.13Å; V158-W163 HydrophobicContact CB-CH2 4.45Å; V158-W163 HydrophobicContact CB-CZ2 3.63Å; V158-W163 HydrophobicContact CG1-CH2 4.26Å; V158-W163 HydrophobicContact CG1-CZ2 3.88Å; V158-W163 PolarHBondContact O-NE1 3.05Å; N161-W163 HydrophobicContact CB-CD2 4.21Å; N161-W163 HydrophobicContact CB-CG 4.34Å; N161-W163 HydrophobicContact CB-CZ2 3.81Å; N161-W163 VanDerWaalsContact CB-NE1 3.34Å; N161-W163 PolarHBondContact O-N 3.36Å; W163-L169 HydrophobicContact CB-CD2 4.09Å; W163-L169 HydrophobicContact CD2-CD1 4.32Å; W163-L169 HydrophobicContact CD2-CD2 4.45Å; W163-L169 HydrophobicContact CE3-CD1 3.57Å; W163-L169 HydrophobicContact CE3-CD2 4.17Å; W163-L169 HydrophobicContact CG-CD2 4.45Å; W163-L169 HydrophobicContact CZ3-CD1 3.77Å; W163-V186 HydrophobicContact CB-CG1 4.19Å; W163-V186 HydrophobicContact CD2-CG1 4.44Å; W163-V186 HydrophobicContact CG-CG1 3.8Å; W163-R189 PolarHBondContact O-N 3.45Å; W163-S190 PolarHBondContact O-N 3.33Å
164H89.7Confident87.7Confident53 Ų5333 Ų3325%0.24518%0.181CC..EExtended strand (participates in β ladder)trans-89.5108164.3-17467.4000108.3T142 P162 D166 S190T142-H164 WeakPolarHBondContact O-CB 3.35Å; T142-H164 PolarHBondContact O-N 2.96Å; P162-H164 PolarHBondContact O-N 2.88Å; H164-D166 PolarHBondContact O-N 2.79Å; H164-S190 CarbonylContact C-O 3.56Å; H164-S190 WeakPolarHBondContact CA-O 3.34Å; H164-S190 PolarHBondContact ND1-OG 3.42Å
165C87.2Confident86.9Confident1 Ų134.4 Ų34.41%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-85.5104.6-176.3-70.50000111.1L169 C188 S190 S191C165-L169 HydrophobicContact CB-CD2 4.43Å; C165-C188 HydrophobicContact CB-CB 3.72Å; C165-C188 WeakPolarHBondContact CB-SG 3.09Å; C165-C188 WeakPolarHBondContact SG-CA 3.24Å; C165-C188 WeakPolarHBondContact SG-CB 3.24Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 3.19Å; C165-S190 PolarHBondContact N-O 3.02Å; C165-S191 WeakPolarHBondContact O-CA 3.02Å; C165-S191 WeakPolarHBondContact O-CB 3.38Å; C165-S191 PolarHBondContact O-OG 2.6Å
166D85.6Confident86.1Confident25 Ų2529.4 Ų29.413%0.13418%0.178CC..SBendtrans-132.6-172.6178.171.7-18.2000110.7H164 T168 L169 Q170H164-D166 PolarHBondContact O-N 2.79Å; D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 2.82Å; D166-T168 PolarHBondContact OD1-N 2.85Å; D166-T168 PolarHBondContact OD1-OG1 2.99Å; D166-T168 WeakPolarHBondContact OD2-CB 3.26Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.41Å; D166-T168 PolarHBondContact OD2-N 2.76Å; D166-T168 PolarHBondContact OD2-OG1 2.8Å; D166-L169 WeakPolarHBondContact OD1-CB 3.49Å; D166-L169 PolarHBondContact OD1-N 3.04Å; D166-Q170 PolarHBondContact O-N 3.33Å
167C85Confident84.4Confident33 Ų3333.2 Ų33.222%0.22321%0.21CC..Hα-helixtrans-66.6-30.9175.7173.90000112.9Q170 Q171 C209C167-Q170 PolarHBondContact O-N 3.24Å; C167-Q171 WeakPolarHBondContact O-CG 3.22Å; C167-Q171 PolarHBondContact O-N 3.05Å; C167-Q171 PolarHBondContact SG-NE2 3.43Å; C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.96Å; C167-C209 WeakPolarHBondContact CB-SG 3.47Å; C167-C209 PolarHBondContact O-SG 3.01Å; C167-C209 WeakPolarHBondContact SG-CA 3.17Å; C167-C209 WeakPolarHBondContact SG-CB 3.34Å; C167-C209 CovalentContact SG-SG 2.04Å; C167-C209 PolarHBondContact SG-SG 2.76Å
168T87.4Confident82.6Confident56 Ų5640 Ų4034%0.34424%0.24SC..Hα-helixtrans-68.7-42.6-178.470.70000111.3D166 Q171 A172D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 2.82Å; D166-T168 PolarHBondContact OD1-N 2.85Å; D166-T168 PolarHBondContact OD1-OG1 2.99Å; D166-T168 WeakPolarHBondContact OD2-CB 3.26Å; D166-T168 WeakPolarHBondContact OD2-CG2 3.41Å; D166-T168 PolarHBondContact OD2-N 2.76Å; D166-T168 PolarHBondContact OD2-OG1 2.8Å; T168-Q171 PolarHBondContact O-N 3.15Å; T168-A172 PolarHBondContact O-N 2.81Å
169L86.9Confident81.1Confident0 Ų041.3 Ų41.30%025%0.247CC..Hα-helixtrans-62.8-42173-173.665.4000111.2V144 W163 C165 D166 Q171 A172 L173 V186 F201V144-L169 HydrophobicContact CG2-CD1 3.8Å; W163-L169 HydrophobicContact CB-CD2 4.09Å; W163-L169 HydrophobicContact CD2-CD1 4.32Å; W163-L169 HydrophobicContact CD2-CD2 4.45Å; W163-L169 HydrophobicContact CE3-CD1 3.57Å; W163-L169 HydrophobicContact CE3-CD2 4.17Å; W163-L169 HydrophobicContact CG-CD2 4.45Å; W163-L169 HydrophobicContact CZ3-CD1 3.77Å; C165-L169 HydrophobicContact CB-CD2 4.43Å; D166-L169 WeakPolarHBondContact OD1-CB 3.49Å; D166-L169 PolarHBondContact OD1-N 3.04Å; L169-Q171 VanDerWaalsContact C-N 3.28Å; L169-Q171 PolarHBondContact O-N 3.43Å; L169-A172 PolarHBondContact O-N 3.32Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.01Å; L169-L173 HydrophobicContact CD2-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 3.87Å; L169-L173 HydrophobicContact CG-CG 4.16Å; L169-L173 WeakPolarHBondContact O-CB 3.1Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.35Å; L169-V186 HydrophobicContact CD2-CG1 4.39Å; L169-F201 HydrophobicContact CD2-CD2 4.47Å
170Q83.7Confident79.6Confident42 Ų4247.3 Ų47.320%0.19627%0.274CS..Hα-helixtrans-57.7-41.4175.6-176.3177.3-16.700112.2D166 C167 G174 F201 D207D166-Q170 PolarHBondContact O-N 3.33Å; C167-Q170 PolarHBondContact O-N 3.24Å; Q170-G174 PolarHBondContact O-N 2.86Å; Q170-F201 HydrophobicContact CB-CE2 4.38Å; Q170-F201 HydrophobicContact CB-CZ 3.73Å; Q170-F201 HydrophobicContact CG-CZ 3.95Å; Q170-D207 PolarHBondContact NE2-OD1 3.29Å
171Q85.4Confident78.4Confident89 Ų8948.7 Ų48.742%0.41628%0.278SS..Hα-helixtrans-69-44.4176.5-69174.711.600112.1K146 C167 T168 L169 L173 G174 G175K146-Q171 HydrophobicContact CB-CB 3.82Å; C167-Q171 WeakPolarHBondContact O-CG 3.22Å; C167-Q171 PolarHBondContact O-N 3.05Å; C167-Q171 PolarHBondContact SG-NE2 3.43Å; T168-Q171 PolarHBondContact O-N 3.15Å; L169-Q171 VanDerWaalsContact C-N 3.28Å; L169-Q171 PolarHBondContact O-N 3.43Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.75Å; Q171-G174 PolarHBondContact O-N 2.95Å; Q171-G175 PolarHBondContact O-N 3.32Å
172A86.1Confident77.2Confident0 Ų048.4 Ų48.40%028%0.276CS..Hα-helixtrans-59.2-45.4178.400000111.8V144 K146 F149 T168 L169 G175V144-A172 HydrophobicContact CG2-CB 3.57Å; K146-A172 WeakPolarHBondContact O-CA 3.12Å; F149-A172 HydrophobicContact CD2-CB 4.39Å; T168-A172 PolarHBondContact O-N 2.81Å; L169-A172 PolarHBondContact O-N 3.32Å; A172-G175 PolarHBondContact O-N 3.39Å
173L82.1Confident76Confident8 Ų846.8 Ų46.84%0.04227%0.267CS..Hα-helixtrans-74.2-35.6178.8-60.8179.2000112.2V158 L169 Q171 G175 M176 A183 V186 F201V158-L173 HydrophobicContact CG2-CD2 4.48Å; L169-L173 HydrophobicContact CD1-CD1 4.1Å; L169-L173 HydrophobicContact CD1-CD2 4.37Å; L169-L173 HydrophobicContact CD1-CG 4.01Å; L169-L173 HydrophobicContact CD2-CD1 4.39Å; L169-L173 HydrophobicContact CG-CD1 3.87Å; L169-L173 HydrophobicContact CG-CG 4.16Å; L169-L173 WeakPolarHBondContact O-CB 3.1Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.38Å; L169-L173 PolarHBondContact O-N 3.35Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.75Å; L173-G175 PolarHBondContact O-N 3.3Å; L173-M176 HydrophobicContact CB-CE 4.25Å; L173-M176 HydrophobicContact CD2-CE 3.21Å; L173-M176 HydrophobicContact CD2-SD 4.4Å; L173-M176 HydrophobicContact CG-CE 4.3Å; L173-M176 WeakPolarHBondContact O-CB 3.23Å; L173-M176 PolarHBondContact O-N 2.91Å; L173-A183 HydrophobicContact CB-CB 4.39Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.29Å; L173-V186 HydrophobicContact CD1-CG2 4.09Å; L173-V186 HydrophobicContact CD2-CG2 4.42Å; L173-F201 HydrophobicContact CB-CE1 4.4Å; L173-F201 HydrophobicContact CD1-CD1 3.64Å; L173-F201 HydrophobicContact CD1-CD2 4.31Å; L173-F201 HydrophobicContact CD1-CE1 3.78Å; L173-F201 HydrophobicContact CD1-CE2 4.42Å; L173-F201 HydrophobicContact CD1-CG 3.95Å; L173-F201 HydrophobicContact CD1-CZ 4.2Å
174G77.8Confident74.9Confident55 Ų5548.5 Ų48.557%0.56728%0.281SS*.Hα-helixtrans-61.3-30.4174.200000113.1Q170 Q171 M176Q170-G174 PolarHBondContact O-N 2.86Å; Q171-G174 PolarHBondContact O-N 2.95Å; G174-M176 PolarHBondContact O-N 3.02Å
175G71.4Confident74.2Confident32 Ų3252.3 Ų52.333%0.3329%0.293SS..THydrogen-bonded Turntrans-65.6-19.5171.800000114.2Q171 A172 L173 A177Q171-G175 PolarHBondContact O-N 3.32Å; A172-G175 PolarHBondContact O-N 3.39Å; L173-G175 PolarHBondContact O-N 3.3Å; G175-A177 PolarHBondContact O-N 3.47Å
176M70.8Confident74.1Confident11 Ų1152.3 Ų52.35%0.05429%0.293CS..  trans-85.241.8-178.6-53.5-165.5-55.700112.8F149 V156 V158 L173 G174 H178 N179F149-M176 HydrophobicContact CB-CG 3.7Å; F149-M176 HydrophobicContact CB-SD 3.81Å; F149-M176 HydrophobicContact CD2-CG 4.46Å; F149-M176 HydrophobicContact CD2-SD 3.77Å; F149-M176 HydrophobicContact CG-CG 4.4Å; F149-M176 HydrophobicContact CG-SD 3.88Å; V156-M176 HydrophobicContact CB-SD 3.85Å; V156-M176 HydrophobicContact CG1-SD 4.15Å; V156-M176 HydrophobicContact CG2-SD 4.17Å; V158-M176 HydrophobicContact CG2-CE 4.5Å; L173-M176 HydrophobicContact CB-CE 4.25Å; L173-M176 HydrophobicContact CD2-CE 3.21Å; L173-M176 HydrophobicContact CD2-SD 4.4Å; L173-M176 HydrophobicContact CG-CE 4.3Å; L173-M176 WeakPolarHBondContact O-CB 3.23Å; L173-M176 PolarHBondContact O-N 2.91Å; G174-M176 PolarHBondContact O-N 3.02Å; M176-H178 PolarHBondContact O-N 3.06Å; M176-N179 PolarHBondContact O-N 2.99Å
177A53.1Low74.2Confident81 Ų8154.7 Ų54.767%0.66931%0.305SS*.THydrogen-bonded Turntrans-54.5-15.7-170.300000116G175G175-A177 PolarHBondContact O-N 3.47Å
178H54.5Low74.2Confident167 Ų16753.2 Ų53.277%0.77330%0.296SS*.THydrogen-bonded Turntrans-91.4-7.8174.4-83.7-24.7000115.7M176M176-H178 PolarHBondContact O-N 3.06Å
179N58.7Low74.2Confident28 Ų2859.2 Ų59.215%0.1531%0.312CS..  trans-129.160-176.1-55.1-56.9000112.1A154 R155 M176 E181 A182A154-N179 PolarHBondContact O-ND2 3.2Å; R155-N179 WeakPolarHBondContact CA-ND2 3.45Å; M176-N179 PolarHBondContact O-N 2.99Å; N179-E181 PolarHBondContact O-N 2.83Å; N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 PolarHBondContact O-N 3.32Å
180H57Low74Confident146 Ų14661.1 Ų61.168%0.67633%0.326SS*.Hα-helixtrans-52.8-27176.8-127.272.5000112.9
181E66.4Low73.9Confident140 Ų14059.7 Ų59.765%0.65432%0.32SS*.Hα-helixtrans-71.9-30.6178.5-66.6-174.3171.600114.7N179 A184N179-E181 PolarHBondContact O-N 2.83Å; E181-A184 WeakPolarHBondContact O-CB 3.39Å; E181-A184 PolarHBondContact O-N 2.81Å
182A67.6Low73Confident4 Ų462.5 Ų62.53%0.03333%0.333CS..Hα-helixtrans-74.1-41.9-176.600000111.8V156 N179 A184 R185V156-A182 WeakPolarHBondContact O-CB 3.48Å; N179-A182 HydrophobicContact CB-CB 4.2Å; N179-A182 PolarHBondContact O-N 3.32Å; A182-A184 PolarHBondContact O-N 2.8Å; A182-R185 PolarHBondContact O-N 3.14Å
183A67.5Low72.1Confident10 Ų1065 Ų658%0.08335%0.346CS..Hα-helixtrans-63.7-26.9174.500000112.2L173 R185 V186 L202L173-A183 HydrophobicContact CB-CB 4.39Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.98Å; A183-V186 PolarHBondContact O-N 2.93Å; A183-L202 HydrophobicContact CB-CD2 4.44Å; A183-L202 HydrophobicContact CB-CG 4.41Å
184A68Low71.2Confident37 Ų3772.3 Ų72.331%0.30638%0.38SS..Hα-helixtrans-65.1-29.5-179.200000113.9E181 A182 H200 L202E181-A184 WeakPolarHBondContact O-CB 3.39Å; E181-A184 PolarHBondContact O-N 2.81Å; A182-A184 PolarHBondContact O-N 2.8Å; A184-H200 PolarHBondContact O-ND1 2.85Å; A184-L202 HydrophobicContact CB-CD1 3.4Å; A184-L202 VanDerWaalsContact CB-CD1 3.4Å; A184-L202 HydrophobicContact CB-CG 4.34Å
185R76.5Confident70.6Confident134 Ų13477.2 Ų77.251%0.50639%0.388SS..THydrogen-bonded Turntrans-96.8-2.3-174.2-64.3179.4-175.5152.96.5113.4D159 A182 A183 L187D159-R185 WeakPolarHBondContact OD1-CB 3.49Å; D159-R185 WeakPolarHBondContact OD1-CD 3.23Å; A182-R185 PolarHBondContact O-N 3.14Å; A183-R185 VanDerWaalsContact C-N 3.27Å; A183-R185 PolarHBondContact O-N 2.98Å; R185-L187 PolarHBondContact O-N 2.9Å
186V85.2Confident70.2Confident0 Ų076.6 Ų76.60%038%0.377CS..  trans-66.2120.7172.2175.10000109V158 W163 L169 L173 A183 H200 F201V158-V186 HydrophobicContact CG2-CG2 3.95Å; W163-V186 HydrophobicContact CB-CG1 4.19Å; W163-V186 HydrophobicContact CD2-CG1 4.44Å; W163-V186 HydrophobicContact CG-CG1 3.8Å; L169-V186 HydrophobicContact CD2-CG1 4.39Å; L173-V186 HydrophobicContact CD1-CB 4.46Å; L173-V186 HydrophobicContact CD1-CG1 4.29Å; L173-V186 HydrophobicContact CD1-CG2 4.09Å; L173-V186 HydrophobicContact CD2-CG2 4.42Å; A183-V186 PolarHBondContact O-N 2.93Å; V186-H200 WeakPolarHBondContact O-CA 3.5Å; V186-F201 HydrophobicContact CB-CB 3.9Å; V186-F201 HydrophobicContact CG1-CB 3.93Å; V186-F201 HydrophobicContact CG1-CG 4.46Å; V186-F201 PolarHBondContact O-N 2.78Å
187L86.1Confident70.3Confident75 Ų7580.7 Ų80.739%0.39340%0.396SS..BIsolated β-bridgetrans-107.7124.2175-172.6130.7000109.6R185 R189R185-L187 PolarHBondContact O-N 2.9Å; L187-R189 PolarHBondContact O-N 2.76Å
188C86.5Confident71.2Confident3 Ų379.2 Ų79.22%0.0239%0.388CS..EExtended strand (participates in β ladder)trans-73.1117.4-179.8-61.10000110C165 Q196 G198 R199C165-C188 HydrophobicContact CB-CB 3.72Å; C165-C188 WeakPolarHBondContact CB-SG 3.09Å; C165-C188 WeakPolarHBondContact SG-CA 3.24Å; C165-C188 WeakPolarHBondContact SG-CB 3.24Å; C165-C188 CovalentContact SG-SG 2.01Å; C165-C188 PolarHBondContact SG-SG 3.19Å; C188-Q196 VanDerWaalsContact CB-O 3.32Å; C188-Q196 WeakPolarHBondContact CB-O 3.33Å; C188-G198 WeakPolarHBondContact O-CA 3.44Å; C188-G198 PolarHBondContact O-N 3.04Å; C188-R199 PolarHBondContact N-O 2.98Å
189R87.6Confident72.1Confident181 Ų18177.9 Ų77.968%0.68338%0.376SS*.EExtended strand (participates in β ladder)trans-83.9-38.5174-176.860.7176.9-165.82.4111.6P162 W163 L187P162-R189 HydrophobicContact CB-CB 4.24Å; P162-R189 HydrophobicContact CB-CG 4.25Å; W163-R189 PolarHBondContact O-N 3.45Å; L187-R189 PolarHBondContact O-N 2.76Å
190S82.3Confident72.8Confident41 Ų4181.1 Ų81.129%0.28739%0.39SS..EExtended strand (participates in β ladder)trans-139.7158.8174.859.40000109.5W163 H164 C165W163-S190 PolarHBondContact O-N 3.33Å; H164-S190 CarbonylContact C-O 3.56Å; H164-S190 WeakPolarHBondContact CA-O 3.34Å; H164-S190 PolarHBondContact ND1-OG 3.42Å; C165-S190 PolarHBondContact N-O 3.02Å
191S80.6Confident73.6Confident12 Ų1275.3 Ų75.38%0.08436%0.363CS..EExtended strand (participates in β ladder)trans-154.4155.7174.9-179.80000109.5C165 L193C165-S191 WeakPolarHBondContact O-CA 3.02Å; C165-S191 WeakPolarHBondContact O-CB 3.38Å; C165-S191 PolarHBondContact O-OG 2.6Å; S191-L193 WeakPolarHBondContact CB-O 3.44Å; S191-L193 PolarHBondContact O-N 3.29Å; S191-L193 PolarHBondContact OG-N 3.24Å
192E68.3Low73.5Confident148 Ų14872.6 Ų72.669%0.69235%0.353SS*.SBendtrans-58.8-21.2167.1-65.6-162.4152.500112.3
193L66.6Low73Confident51 Ų5176.1 Ų76.127%0.26738%0.382SS..SBendtrans-106106.6175.5-63160.3000108.8S191 E195 Q196 L208 L211S191-L193 WeakPolarHBondContact CB-O 3.44Å; S191-L193 PolarHBondContact O-N 3.29Å; S191-L193 PolarHBondContact OG-N 3.24Å; L193-E195 PolarHBondContact O-N 2.98Å; L193-Q196 HydrophobicContact CB-CG 3.83Å; L193-Q196 HydrophobicContact CD1-CG 4.47Å; L193-Q196 WeakPolarHBondContact O-CB 3.42Å; L193-Q196 PolarHBondContact O-N 3.26Å; L193-L208 HydrophobicContact CD1-CD2 4.19Å; L193-L211 HydrophobicContact CD1-CD2 3.26Å; L193-L211 HydrophobicContact CD1-CG 4.13Å; L193-L211 HydrophobicContact CD2-CD2 3.83Å; L193-L211 HydrophobicContact CD2-CG 4.29Å; L193-L211 HydrophobicContact CG-CD2 4.17Å
194Q62.3Low72.5Confident162 Ų16277 Ų7776%0.75739%0.386SS*.G310 helixtrans-59.9-16.8-174.5-160.41459.400114.2Q196Q194-Q196 VanDerWaalsContact C-N 3.27Å; Q194-Q196 PolarHBondContact O-N 3.37Å
195E64.7Low72.1Confident158 Ų15883.6 Ų83.674%0.73842%0.417SS*.G310 helixtrans-75.1-10.4174.1-63-176.2166.500114.4L193 R199L193-E195 PolarHBondContact O-N 2.98Å; E195-R199 PolarHBondContact O-NE 3.49Å
196Q64.4Low71.5Confident19 Ų1980.4 Ų80.49%0.08941%0.412CS..G310 helixtrans-100.2-3.8-174.8-57.3-61-13.100113.8C188 L193 Q194 G198 R199C188-Q196 VanDerWaalsContact CB-O 3.32Å; C188-Q196 WeakPolarHBondContact CB-O 3.33Å; L193-Q196 HydrophobicContact CB-CG 3.83Å; L193-Q196 HydrophobicContact CD1-CG 4.47Å; L193-Q196 WeakPolarHBondContact O-CB 3.42Å; L193-Q196 PolarHBondContact O-N 3.26Å; Q194-Q196 VanDerWaalsContact C-N 3.27Å; Q194-Q196 PolarHBondContact O-N 3.37Å; Q196-G198 PolarHBondContact O-N 2.99Å; Q196-R199 PolarHBondContact O-N 3.21Å
197E72.4Confident70.9Confident98 Ų9884.5 Ų84.546%0.45843%0.434SS..THydrogen-bonded Turntrans-66.2126.5176.2-58.6-169.5160.700110.8
198G71.4Confident70.4Confident49 Ų4981.7 Ų81.751%0.50542%0.419SS..THydrogen-bonded Turntrans83.34179.300000115.4C188 Q196C188-G198 WeakPolarHBondContact O-CA 3.44Å; C188-G198 PolarHBondContact O-N 3.04Å; Q196-G198 PolarHBondContact O-N 2.99Å
199R73.4Confident69.9Low139 Ų13983.2 Ų83.253%0.52543%0.429SS..  trans-95.4153.4177.3-64.2-171.1-179.4-166.13112.2C188 E195 Q196C188-R199 PolarHBondContact N-O 2.98Å; E195-R199 PolarHBondContact O-NE 3.49Å; Q196-R199 PolarHBondContact O-N 3.21Å
200H74.9Confident69.2Low96 Ų9679.2 Ų79.244%0.44442%0.422SS..BIsolated β-bridgetrans-69.9139169.4-70.9-87.1000110.2A184 V186 L202 A203A184-H200 PolarHBondContact O-ND1 2.85Å; V186-H200 WeakPolarHBondContact O-CA 3.5Å; H200-L202 PolarHBondContact O-N 3.39Å; H200-A203 HydrophobicContact CB-CB 4.24Å; H200-A203 WeakPolarHBondContact O-CB 3.46Å; H200-A203 PolarHBondContact O-N 3.22Å; H200-A203 VanDerWaalsContact O-N 3.14Å
201F73Confident68.5Low24 Ų2480 Ų8011%0.10542%0.422CS..G310 helixtrans-58.9-43.7-176.5-173.8-97.3000113.1L169 Q170 L173 V186 A203 V204 L208L169-F201 HydrophobicContact CD2-CD2 4.47Å; Q170-F201 HydrophobicContact CB-CE2 4.38Å; Q170-F201 HydrophobicContact CB-CZ 3.73Å; Q170-F201 HydrophobicContact CG-CZ 3.95Å; L173-F201 HydrophobicContact CB-CE1 4.4Å; L173-F201 HydrophobicContact CD1-CD1 3.64Å; L173-F201 HydrophobicContact CD1-CD2 4.31Å; L173-F201 HydrophobicContact CD1-CE1 3.78Å; L173-F201 HydrophobicContact CD1-CE2 4.42Å; L173-F201 HydrophobicContact CD1-CG 3.95Å; L173-F201 HydrophobicContact CD1-CZ 4.2Å; V186-F201 HydrophobicContact CB-CB 3.9Å; V186-F201 HydrophobicContact CG1-CB 3.93Å; V186-F201 HydrophobicContact CG1-CG 4.46Å; V186-F201 PolarHBondContact O-N 2.78Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 3.15Å; F201-V204 PolarHBondContact O-N 2.86Å; F201-L208 HydrophobicContact CE2-CD1 4.05Å; F201-L208 HydrophobicContact CZ-CD1 4.42Å
202L63.6Low67.6Low83 Ų8381 Ų8144%0.43543%0.432SS..G310 helixtrans-76.5-9.9178.9-71.9-176.4000115.1A183 A184 H200 V204A183-L202 HydrophobicContact CB-CD2 4.44Å; A183-L202 HydrophobicContact CB-CG 4.41Å; A184-L202 HydrophobicContact CB-CD1 3.4Å; A184-L202 VanDerWaalsContact CB-CD1 3.4Å; A184-L202 HydrophobicContact CB-CG 4.34Å; H200-L202 PolarHBondContact O-N 3.39Å; L202-V204 PolarHBondContact O-N 2.76Å
203A58.2Low67.4Low78 Ų7880.5 Ų80.565%0.64543%0.427SS*.G310 helixtrans-74.2-4.4175.500000112.2H200 F201H200-A203 HydrophobicContact CB-CB 4.24Å; H200-A203 WeakPolarHBondContact O-CB 3.46Å; H200-A203 PolarHBondContact O-N 3.22Å; H200-A203 VanDerWaalsContact O-N 3.14Å; F201-A203 VanDerWaalsContact C-N 3.32Å; F201-A203 PolarHBondContact O-N 3.15Å
204V57.4Low67.3Low28 Ų2885.7 Ų85.717%0.1744%0.443CS..  trans-11393.8-168.5-178.40000108.1F201 L202 T206F201-V204 PolarHBondContact O-N 2.86Å; L202-V204 PolarHBondContact O-N 2.76Å; V204-T206 HydrophobicContact CG1-CG2 4.45Å; V204-T206 WeakPolarHBondContact CG1-OG1 3.3Å; V204-T206 PolarHBondContact O-N 2.88Å
205D58.7Low67.5Low177 Ų17781.6 Ų81.695%0.94743%0.429SS*.  trans-73.523.4175.6-143.514.7000112.1
206T63.9Low67.6Low66 Ų6678.1 Ų78.141%0.40542%0.419SS..SBendtrans-110.8119.9-17864.60000110.2V204 L208V204-T206 HydrophobicContact CG1-CG2 4.45Å; V204-T206 WeakPolarHBondContact CG1-OG1 3.3Å; V204-T206 PolarHBondContact O-N 2.88Å; T206-L208 PolarHBondContact O-N 3.49Å
207D73.6Confident68.1Low87 Ų8781.3 Ų81.347%0.46544%0.436SS..  trans-62.299.9171.6-81.7-34.5000111.2Q170 C209 N210 L211Q170-D207 PolarHBondContact NE2-OD1 3.29Å; D207-C209 PolarHBondContact O-N 2.87Å; D207-N210 HydrophobicContact CB-CB 3.82Å; D207-N210 PolarHBondContact O-N 2.82Å; D207-N210 VanDerWaalsContact O-N 3.11Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; D207-L211 WeakPolarHBondContact O-CB 3.16Å; D207-L211 PolarHBondContact O-N 3.23Å
208L73.6Confident68.5Low16 Ų1683.4 Ų83.48%0.08444%0.441CS..Hα-helixtrans-57.5-35.9175-69.1113.5000110.8L193 F201 T206 N210 L211 A212L193-L208 HydrophobicContact CD1-CD2 4.19Å; F201-L208 HydrophobicContact CE2-CD1 4.05Å; F201-L208 HydrophobicContact CZ-CD1 4.42Å; T206-L208 PolarHBondContact O-N 3.49Å; L208-N210 PolarHBondContact O-N 3.21Å; L208-L211 PolarHBondContact O-N 3.08Å; L208-A212 PolarHBondContact O-N 3.25Å
209C76.3Confident68.8Low34 Ų3483.8 Ų83.823%0.2344%0.44CS..Hα-helixtrans-64.1-36.2177.1-65.80000114.2C167 D207C167-C209 VanDerWaalsContact CA-SG 3.5Å; C167-C209 HydrophobicContact CB-CB 3.96Å; C167-C209 WeakPolarHBondContact CB-SG 3.47Å; C167-C209 PolarHBondContact O-SG 3.01Å; C167-C209 WeakPolarHBondContact SG-CA 3.17Å; C167-C209 WeakPolarHBondContact SG-CB 3.34Å; C167-C209 CovalentContact SG-SG 2.04Å; C167-C209 PolarHBondContact SG-SG 2.76Å; D207-C209 PolarHBondContact O-N 2.87Å
210N73.6Confident69.2Low98 Ų9883.7 Ų83.752%0.52445%0.447SS..Hα-helixtrans-80.1-31.9177-76.1-38.1000111.4D207 L208 K213 R214D207-N210 HydrophobicContact CB-CB 3.82Å; D207-N210 PolarHBondContact O-N 2.82Å; D207-N210 VanDerWaalsContact O-N 3.11Å; D207-N210 PolarHBondContact OD2-ND2 3.3Å; L208-N210 PolarHBondContact O-N 3.21Å; N210-K213 PolarHBondContact O-N 3.36Å; N210-R214 PolarHBondContact O-N 3.31Å
211L67.5Low69.7Low57 Ų5783 Ų8330%0.29845%0.446SS..Hα-helixtrans-68.4-42.8-180-170.451.1000112L193 D207 L208 K213 R214 T215L193-L211 HydrophobicContact CD1-CD2 3.26Å; L193-L211 HydrophobicContact CD1-CG 4.13Å; L193-L211 HydrophobicContact CD2-CD2 3.83Å; L193-L211 HydrophobicContact CD2-CG 4.29Å; L193-L211 HydrophobicContact CG-CD2 4.17Å; D207-L211 WeakPolarHBondContact O-CB 3.16Å; D207-L211 PolarHBondContact O-N 3.23Å; L208-L211 PolarHBondContact O-N 3.08Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.79Å; L211-R214 PolarHBondContact O-N 3.34Å; L211-R214 VanDerWaalsContact O-N 3.12Å; L211-T215 PolarHBondContact O-N 3.17Å; L211-T215 PolarHBondContact O-OG1 2.83Å
212A61.7Low70.6Confident34 Ų3486.9 Ų86.928%0.28147%0.471SS..Hα-helixtrans-58.9-39173.900000112.4L208 T215 T216L208-A212 PolarHBondContact O-N 3.25Å; A212-T215 PolarHBondContact O-OG1 3.36Å; A212-T216 WeakPolarHBondContact O-CG2 3Å; A212-T216 PolarHBondContact O-N 3.04Å; A212-T216 PolarHBondContact O-OG1 3.32Å
213K64.9Low71.9Confident136 Ų13687.4 Ų87.459%0.59148%0.478SS*.Hα-helixtrans-66.9-39.8175.1-170.3178.9-175.3-176.20112.2N210 L211 T216 D217N210-K213 PolarHBondContact O-N 3.36Å; L211-K213 VanDerWaalsContact C-N 3.28Å; L211-K213 PolarHBondContact O-N 2.79Å; K213-T216 PolarHBondContact O-N 2.96Å; K213-T216 PolarHBondContact O-OG1 3.2Å; K213-D217 PolarHBondContact O-N 3.17Å; K213-D217 VanDerWaalsContact O-N 3.1Å
214R64.4Low73.5Confident161 Ų16187.5 Ų87.561%0.60847%0.466SS*.Hα-helixtrans-66.8-42-178.3-143-177.8-170.2160.94111.8N210 L211 D217 Y218N210-R214 PolarHBondContact O-N 3.31Å; L211-R214 PolarHBondContact O-N 3.34Å; L211-R214 VanDerWaalsContact O-N 3.12Å; R214-D217 PolarHBondContact O-N 2.98Å; R214-Y218 HydrophobicContact CG-CD2 4.41Å; R214-Y218 HydrophobicContact CG-CE2 3.83Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å; R214-Y218 PolarHBondContact O-N 2.8Å
215T65.3Low75.3Confident76 Ų7692.6 Ų92.647%0.46649%0.486SS..Hα-helixtrans-66.4-38.1178.452.80000111.8L211 A212 Y218 A219L211-T215 PolarHBondContact O-N 3.17Å; L211-T215 PolarHBondContact O-OG1 2.83Å; A212-T215 PolarHBondContact O-OG1 3.36Å; T215-Y218 PolarHBondContact O-N 3.45Å; T215-A219 WeakPolarHBondContact O-CB 3.47Å; T215-A219 PolarHBondContact O-N 3.28Å
216T67.6Low77.1Confident85 Ų8586.2 Ų86.252%0.52146%0.462SS..Hα-helixtrans-65.2-40.2174.352.10000112.8A212 K213 Y218 A219 M220A212-T216 WeakPolarHBondContact O-CG2 3Å; A212-T216 PolarHBondContact O-N 3.04Å; A212-T216 PolarHBondContact O-OG1 3.32Å; K213-T216 PolarHBondContact O-N 2.96Å; K213-T216 PolarHBondContact O-OG1 3.2Å; T216-Y218 PolarHBondContact O-N 3.38Å; T216-A219 PolarHBondContact O-N 2.02Å; T216-M220 WeakPolarHBondContact O-CB 3.34Å; T216-M220 PolarHBondContact O-N 3.5Å
217D74.4Confident78.7Confident86 Ų8690.4 Ų90.446%0.4647%0.471SS..Hα-helixtrans-63.1-43.8178-77.5-20.3000111.4K213 R214 M220 L221K213-D217 PolarHBondContact O-N 3.17Å; K213-D217 VanDerWaalsContact O-N 3.1Å; R214-D217 PolarHBondContact O-N 2.98Å; D217-M220 PolarHBondContact O-N 3.21Å; D217-L221 WeakPolarHBondContact O-CB 3.48Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.27Å; D217-L221 PolarHBondContact O-N 3.24Å
218Y80.7Confident79.8Confident141 Ų14190.5 Ų90.555%0.55347%0.467SS*.Hα-helixtrans-64.7-43.8175.4-73.1-65000112.6R214 T215 T216 M220 L221 V222R214-Y218 HydrophobicContact CG-CD2 4.41Å; R214-Y218 HydrophobicContact CG-CE2 3.83Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å; R214-Y218 PolarHBondContact O-N 2.8Å; T215-Y218 PolarHBondContact O-N 3.45Å; T216-Y218 PolarHBondContact O-N 3.38Å; Y218-M220 VanDerWaalsContact C-N 3.31Å; Y218-M220 PolarHBondContact O-N 3.28Å; Y218-L221 PolarHBondContact O-N 3.15Å; Y218-V222 VanDerWaalsContact O-CG2 3.29Å; Y218-V222 WeakPolarHBondContact O-CG2 3Å; Y218-V222 PolarHBondContact O-N 3.39Å
219A78.5Confident80.9Confident58 Ų5892.1 Ų92.148%0.47948%0.483SS..Hα-helixtrans-60.3-4317800000111.3T215 T216 V222 T223T215-A219 WeakPolarHBondContact O-CB 3.47Å; T215-A219 PolarHBondContact O-N 3.28Å; T216-A219 PolarHBondContact O-N 2.02Å; A219-V222 PolarHBondContact O-N 2.85Å; A219-T223 WeakPolarHBondContact O-CG2 3.05Å; A219-T223 PolarHBondContact O-N 2.98Å; A219-T223 PolarHBondContact O-OG1 2.84Å
220M81.5Confident81.8Confident136 Ų13696.4 Ų96.467%0.6750%0.501SS*.Hα-helixtrans-68.1-36.7178.2-144.2-176.983.100112.4T216 D217 Y218 T223 M224T216-M220 WeakPolarHBondContact O-CB 3.34Å; T216-M220 PolarHBondContact O-N 3.5Å; D217-M220 PolarHBondContact O-N 3.21Å; Y218-M220 VanDerWaalsContact C-N 3.31Å; Y218-M220 PolarHBondContact O-N 3.28Å; M220-T223 PolarHBondContact O-OG1 3.46Å; M220-M224 VanDerWaalsContact O-CB 3.3Å; M220-M224 WeakPolarHBondContact O-CB 3.16Å; M220-M224 PolarHBondContact O-N 3.08Å
221L86.3Confident83Confident82 Ų8294 Ų9443%0.42949%0.49SS..Hα-helixtrans-65.2-44.8173.4-74170.3000111.6D217 Y218 T223 M224 F225D217-L221 WeakPolarHBondContact O-CB 3.48Å; D217-L221 VanDerWaalsContact O-CG 3.25Å; D217-L221 WeakPolarHBondContact O-CG 3.27Å; D217-L221 PolarHBondContact O-N 3.24Å; Y218-L221 PolarHBondContact O-N 3.15Å; L221-T223 VanDerWaalsContact C-N 3.35Å; L221-T223 PolarHBondContact O-N 2.83Å; L221-M224 WeakPolarHBondContact O-CB 2.92Å; L221-M224 PolarHBondContact O-N 3.11Å; L221-F225 HydrophobicContact CD2-CE2 4.45Å; L221-F225 WeakPolarHBondContact O-CD2 3.48Å; L221-F225 PolarHBondContact O-N 3.28Å
222V91.6Very high84.4Confident105 Ų10596.2 Ų96.264%0.63650%0.501SS*.Hα-helixtrans-61.4-43.3178.6170.80000111Y218 A219 G226Y218-V222 VanDerWaalsContact O-CG2 3.29Å; Y218-V222 WeakPolarHBondContact O-CG2 3Å; Y218-V222 PolarHBondContact O-N 3.39Å; A219-V222 PolarHBondContact O-N 2.85Å; V222-G226 PolarHBondContact O-N 2.99Å
223T90.7Very high86Confident94 Ų9498.4 Ų98.458%0.57751%0.514SS*.Hα-helixtrans-67.3-37.5176.458.70000112.3A219 M220 L221 G226 W227A219-T223 WeakPolarHBondContact O-CG2 3.05Å; A219-T223 PolarHBondContact O-N 2.98Å; A219-T223 PolarHBondContact O-OG1 2.84Å; M220-T223 PolarHBondContact O-OG1 3.46Å; L221-T223 VanDerWaalsContact C-N 3.35Å; L221-T223 PolarHBondContact O-N 2.83Å; T223-G226 PolarHBondContact O-N 3.47Å; T223-W227 WeakPolarHBondContact O-CB 3.49Å; T223-W227 PolarHBondContact O-N 2.63Å
224M91.9Very high87.5Confident80 Ų8098.7 Ų98.739%0.39451%0.513SS..Hα-helixtrans-62.2-50.9174.9-166.1-152.382.300111.5M220 L221 G226 W227 F228M220-M224 VanDerWaalsContact O-CB 3.3Å; M220-M224 WeakPolarHBondContact O-CB 3.16Å; M220-M224 PolarHBondContact O-N 3.08Å; L221-M224 WeakPolarHBondContact O-CB 2.92Å; L221-M224 PolarHBondContact O-N 3.11Å; M224-G226 VanDerWaalsContact C-N 3.33Å; M224-G226 PolarHBondContact O-N 2.96Å; M224-W227 PolarHBondContact O-N 3.01Å; M224-F228 HydrophobicContact CE-CD2 3.62Å; M224-F228 HydrophobicContact CE-CE2 3.56Å; M224-F228 HydrophobicContact CG-CD2 3.75Å; M224-F228 HydrophobicContact CG-CE2 3.48Å; M224-F228 VanDerWaalsContact CG-CE2 3.48Å; M224-F228 WeakPolarHBondContact O-CD2 3.33Å; M224-F228 PolarHBondContact O-N 3.02Å; M224-F228 HydrophobicContact SD-CD2 4.25Å; M224-F228 HydrophobicContact SD-CE2 3.72Å
225F95.6Very high89.1Confident135 Ų13594.7 Ų94.759%0.59251%0.506SS*.Hα-helixtrans-63.4-38.3177.3-81.4-70000112.1L221 F228 A229L221-F225 HydrophobicContact CD2-CE2 4.45Å; L221-F225 WeakPolarHBondContact O-CD2 3.48Å; L221-F225 PolarHBondContact O-N 3.28Å; F225-F228 PolarHBondContact O-N 3.28Å; F225-A229 VanDerWaalsContact O-CB 3.31Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.29Å
226G95.8Very high90.6Very high43 Ų4394.8 Ų94.844%0.44351%0.506SS..Hα-helixtrans-61.7-42.7173.900000112.5V222 T223 M224 M230V222-G226 PolarHBondContact O-N 2.99Å; T223-G226 PolarHBondContact O-N 3.47Å; M224-G226 VanDerWaalsContact C-N 3.33Å; M224-G226 PolarHBondContact O-N 2.96Å; G226-M230 WeakPolarHBondContact O-CB 2.92Å; G226-M230 PolarHBondContact O-N 2.85Å
227W96.7Very high91.9Very high155 Ų15597.7 Ų97.759%0.58751%0.509SS*.Hα-helixtrans-66.5-45.8176.4-173.481.7000112T223 M224 A229 M230 V231T223-W227 WeakPolarHBondContact O-CB 3.49Å; T223-W227 PolarHBondContact O-N 2.63Å; M224-W227 PolarHBondContact O-N 3.01Å; W227-A229 VanDerWaalsContact C-N 3.35Å; W227-A229 PolarHBondContact O-N 2.94Å; W227-M230 PolarHBondContact O-N 3.23Å; W227-V231 HydrophobicContact CD2-CG2 3.88Å; W227-V231 HydrophobicContact CE3-CG2 4.1Å; W227-V231 HydrophobicContact CH2-CG2 3.95Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.3Å; W227-V231 PolarHBondContact O-N 3.21Å
228F96.8Very high92.9Very high88 Ų8899.7 Ų99.739%0.38651%0.511SS..Hα-helixtrans-61.1-43176.1-81.5-63.3000112.2M224 F225 M230 V231 I232M224-F228 HydrophobicContact CE-CD2 3.62Å; M224-F228 HydrophobicContact CE-CE2 3.56Å; M224-F228 HydrophobicContact CG-CD2 3.75Å; M224-F228 HydrophobicContact CG-CE2 3.48Å; M224-F228 VanDerWaalsContact CG-CE2 3.48Å; M224-F228 WeakPolarHBondContact O-CD2 3.33Å; M224-F228 PolarHBondContact O-N 3.02Å; M224-F228 HydrophobicContact SD-CD2 4.25Å; M224-F228 HydrophobicContact SD-CE2 3.72Å; F225-F228 PolarHBondContact O-N 3.28Å; F228-M230 VanDerWaalsContact C-N 3.32Å; F228-M230 PolarHBondContact O-N 3.14Å; F228-V231 PolarHBondContact O-N 3.05Å; F228-I232 WeakPolarHBondContact O-CB 3.16Å; F228-I232 WeakPolarHBondContact O-CD1 3.18Å; F228-I232 WeakPolarHBondContact O-CG1 3.37Å; F228-I232 PolarHBondContact O-N 3.18Å
229A96.4Very high93.6Very high51 Ų5196.1 Ų96.142%0.42150%0.504SS..Hα-helixtrans-59-45.2174.600000111F225 W227 I232 S233F225-A229 VanDerWaalsContact O-CB 3.31Å; F225-A229 WeakPolarHBondContact O-CB 3.49Å; F225-A229 PolarHBondContact O-N 3.29Å; W227-A229 VanDerWaalsContact C-N 3.35Å; W227-A229 PolarHBondContact O-N 2.94Å; A229-I232 PolarHBondContact O-N 3.04Å; A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 2.91Å
230M96.9Very high94.3Very high124 Ų124100.9 Ų100.961%0.61151%0.509SS*.Hα-helixtrans-62.5-44.4178.1-172.5-104.2175.400112.5G226 W227 F228 S233 Y234G226-M230 WeakPolarHBondContact O-CB 2.92Å; G226-M230 PolarHBondContact O-N 2.85Å; W227-M230 PolarHBondContact O-N 3.23Å; F228-M230 VanDerWaalsContact C-N 3.32Å; F228-M230 PolarHBondContact O-N 3.14Å; M230-S233 PolarHBondContact O-N 2.04Å; M230-Y234 WeakPolarHBondContact O-CB 3.3Å; M230-Y234 PolarHBondContact O-N 2.78Å
231V97.6Very high94.8Very high46 Ų4697.3 Ų97.328%0.27949%0.491SS..Hα-helixtrans-65.6-45.7177.1173.10000111.4W227 F228 S233 Y234 V235W227-V231 HydrophobicContact CD2-CG2 3.88Å; W227-V231 HydrophobicContact CE3-CG2 4.1Å; W227-V231 HydrophobicContact CH2-CG2 3.95Å; W227-V231 HydrophobicContact CZ2-CG2 3.71Å; W227-V231 HydrophobicContact CZ3-CG2 4.14Å; W227-V231 WeakPolarHBondContact O-CG2 3.3Å; W227-V231 PolarHBondContact O-N 3.21Å; F228-V231 PolarHBondContact O-N 3.05Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 2.78Å; V231-Y234 PolarHBondContact O-N 2.73Å; V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CG2 3.43Å; V231-V235 PolarHBondContact O-N 3.35Å
232I96.8Very high95.1Very high104 Ų10496.7 Ų96.753%0.53349%0.488SS..Hα-helixtrans-61.1-45.5177.5-68.7165.5000109.9F228 A229 Y234 V235 V236F228-I232 WeakPolarHBondContact O-CB 3.16Å; F228-I232 WeakPolarHBondContact O-CD1 3.18Å; F228-I232 WeakPolarHBondContact O-CG1 3.37Å; F228-I232 PolarHBondContact O-N 3.18Å; A229-I232 PolarHBondContact O-N 3.04Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-Y234 PolarHBondContact O-N 2.73Å; I232-V235 PolarHBondContact O-N 3.12Å; I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.01Å
233S96Very high95Very high80 Ų8096.8 Ų96.856%0.55948%0.481SS*.Hα-helixtrans-59.2-43.1175.1-67.60000112.2A229 M230 V231 Y237A229-S233 WeakPolarHBondContact O-CB 3.46Å; A229-S233 PolarHBondContact O-N 3.24Å; A229-S233 PolarHBondContact O-OG 2.91Å; M230-S233 PolarHBondContact O-N 2.04Å; V231-S233 VanDerWaalsContact C-N 3.34Å; V231-S233 PolarHBondContact O-N 2.78Å; S233-Y237 VanDerWaalsContact O-CB 3.25Å; S233-Y237 WeakPolarHBondContact O-CB 3.41Å; S233-Y237 PolarHBondContact O-N 3.46Å
234Y97.1Very high94.9Very high143 Ų14397.1 Ų97.156%0.56148%0.476SS*.Hα-helixtrans-63.2-45.1176.7178.3-98.1000112.5M230 V231 I232 Y237 Y238M230-Y234 WeakPolarHBondContact O-CB 3.3Å; M230-Y234 PolarHBondContact O-N 2.78Å; V231-Y234 PolarHBondContact O-N 2.73Å; I232-Y234 VanDerWaalsContact C-N 3.34Å; I232-Y234 PolarHBondContact O-N 2.73Å; Y234-Y237 WeakPolarHBondContact O-CB 3.36Å; Y234-Y237 PolarHBondContact O-N 3.17Å; Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 2.92Å
235V96.7Very high94.6Very high76 Ų7695.7 Ų95.746%0.46147%0.47SS..Hα-helixtrans-65.2-44.9178.3172.60000111V231 I232 Y237 Y238 V239V231-V235 HydrophobicContact CG1-CG2 4.4Å; V231-V235 WeakPolarHBondContact O-CG2 3.43Å; V231-V235 PolarHBondContact O-N 3.35Å; I232-V235 PolarHBondContact O-N 3.12Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 2.82Å; V235-Y238 PolarHBondContact O-N 3.37Å; V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.29Å
236V96.2Very high94.1Very high79 Ų7992.1 Ų92.148%0.47947%0.466SS..Hα-helixtrans-60.7-45.2176.4170.90000110.4I232 V239 R240I232-V236 HydrophobicContact CG2-CG2 4.31Å; I232-V236 WeakPolarHBondContact O-CB 3.46Å; I232-V236 VanDerWaalsContact O-CG2 3.28Å; I232-V236 WeakPolarHBondContact O-CG2 3.34Å; I232-V236 PolarHBondContact O-N 3.01Å; V236-V239 PolarHBondContact O-N 2.84Å; V236-R240 HydrophobicContact CG1-CG 4.28Å; V236-R240 WeakPolarHBondContact O-CB 3.48Å; V236-R240 WeakPolarHBondContact O-CG 3.28Å; V236-R240 PolarHBondContact O-N 2.79Å
237Y96.6Very high93.8Very high145 Ų14598.5 Ų98.557%0.56948%0.477SS*.Hα-helixtrans-57.2-50.2174.5171.6-97.2000111.5S233 Y234 V235 V239 R240 Q241S233-Y237 VanDerWaalsContact O-CB 3.25Å; S233-Y237 WeakPolarHBondContact O-CB 3.41Å; S233-Y237 PolarHBondContact O-N 3.46Å; Y234-Y237 WeakPolarHBondContact O-CB 3.36Å; Y234-Y237 PolarHBondContact O-N 3.17Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 2.82Å; Y237-V239 PolarHBondContact O-N 3.44Å; Y237-R240 PolarHBondContact O-N 3.5Å; Y237-Q241 VanDerWaalsContact O-CB 3.32Å; Y237-Q241 WeakPolarHBondContact O-CB 3.46Å; Y237-Q241 PolarHBondContact O-N 3.46Å
238Y95.3Very high93.2Very high128 Ų12897.9 Ų97.950%0.50247%0.474SS..Hα-helixtrans-62-41.8-179.1-175.9-100.8000112.8Y234 V235 N242Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 2.92Å; V235-Y238 PolarHBondContact O-N 3.37Å; Y238-N242 WeakPolarHBondContact CD1-ND2 3.44Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N242 WeakPolarHBondContact O-CB 3.25Å; Y238-N242 PolarHBondContact O-N 2.86Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; Y238-N242 PolarHBondContact OH-ND2 2.86Å
239V95.3Very high92.6Very high67 Ų6799.8 Ų99.841%0.40648%0.484SS..Hα-helixtrans-66.6-44.6176.6172.10000111V235 V236 Y237 Q241 N242 Q243V235-V239 HydrophobicContact CG1-CG2 4.35Å; V235-V239 WeakPolarHBondContact O-CG2 3.47Å; V235-V239 PolarHBondContact O-N 3.29Å; V236-V239 PolarHBondContact O-N 2.84Å; Y237-V239 PolarHBondContact O-N 3.44Å; V239-Q241 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 3.29Å; V239-N242 PolarHBondContact O-N 3.42Å; V239-Q243 HydrophobicContact CG1-CG 4.42Å; V239-Q243 WeakPolarHBondContact O-CB 3.18Å; V239-Q243 WeakPolarHBondContact O-CG 3.18Å; V239-Q243 PolarHBondContact O-N 2.73Å
240R92.7Very high92Very high157 Ų157101.9 Ų101.959%0.59249%0.488SS*.Hα-helixtrans-59.6-46.9176.7-73-72.8-171.5146.11.5111V236 Y237 N242 Q243 E244V236-R240 HydrophobicContact CG1-CG 4.28Å; V236-R240 WeakPolarHBondContact O-CB 3.48Å; V236-R240 WeakPolarHBondContact O-CG 3.28Å; V236-R240 PolarHBondContact O-N 2.79Å; Y237-R240 PolarHBondContact O-N 3.5Å; R240-N242 PolarHBondContact O-N 2.83Å; R240-Q243 PolarHBondContact O-N 3.44Å; R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 2.8Å
241Q92.9Very high91.3Very high62 Ų62102.2 Ų102.229%0.2949%0.488SS..Hα-helixtrans-57.5-50.6177-174.166.725.800111.6Y237 V239 Q243 E244 D245Y237-Q241 VanDerWaalsContact O-CB 3.32Å; Y237-Q241 WeakPolarHBondContact O-CB 3.46Å; Y237-Q241 PolarHBondContact O-N 3.46Å; V239-Q241 VanDerWaalsContact C-N 3.34Å; V239-Q241 PolarHBondContact O-N 3.29Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 2.86Å; Q241-E244 PolarHBondContact O-N 3.49Å; Q241-D245 PolarHBondContact O-N 3.27Å
242N90.9Very high90.5Very high69 Ų69107.5 Ų107.537%0.36950%0.504SS..Hα-helixtrans-64.6-34.8179-80.9-31.3000113.1Y238 V239 R240 A246Y238-N242 WeakPolarHBondContact CD1-ND2 3.44Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N242 WeakPolarHBondContact O-CB 3.25Å; Y238-N242 PolarHBondContact O-N 2.86Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; Y238-N242 PolarHBondContact OH-ND2 2.86Å; V239-N242 PolarHBondContact O-N 3.42Å; R240-N242 PolarHBondContact O-N 2.83Å; N242-A246 WeakPolarHBondContact O-CB 3.22Å; N242-A246 PolarHBondContact O-N 2.93Å
243Q90.6Very high89.6Confident107 Ų107108 Ų10850%0.551%0.507SS..Hα-helixtrans-66.8-38.9174.5-76.7-175.7-14.500112V239 R240 Q241 R247V239-Q243 HydrophobicContact CG1-CG 4.42Å; V239-Q243 WeakPolarHBondContact O-CB 3.18Å; V239-Q243 WeakPolarHBondContact O-CG 3.18Å; V239-Q243 PolarHBondContact O-N 2.73Å; R240-Q243 PolarHBondContact O-N 3.44Å; Q241-Q243 VanDerWaalsContact C-N 3.33Å; Q241-Q243 PolarHBondContact O-N 2.86Å; Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.42Å
244E89.2Confident88.8Confident101 Ų101111.7 Ų111.747%0.47251%0.513SS..Hα-helixtrans-67.3-41.5175.8-73.1176.3-16800112R240 Q241 R247 R248R240-E244 WeakPolarHBondContact O-CG 3.4Å; R240-E244 PolarHBondContact O-N 2.8Å; Q241-E244 PolarHBondContact O-N 3.49Å; E244-R247 PolarHBondContact O-N 3.45Å; E244-R248 WeakPolarHBondContact O-CG 3.36Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 VanDerWaalsContact O-N 3.1Å
245D85.1Confident87.9Confident49 Ų49109 Ų10926%0.26252%0.515SS..Hα-helixtrans-62.5-47.7174.2-75.1-31.1000111.2Q241 R247 R248 H249Q241-D245 PolarHBondContact O-N 3.27Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 2.9Å; D245-R248 PolarHBondContact O-N 3.5Å; D245-R248 IonicContact OD1-CZ 3.23Å; D245-R248 VanDerWaalsContact OD1-CZ 3.23Å; D245-R248 IonicContact OD1-NE 3.84Å; D245-R248 IonicContact OD1-NH1 3.83Å; D245-R248 IonicContact OD1-NH2 2.6Å; D245-R248 PolarHBondContact OD1-NH2 2.99Å; D245-H249 PolarHBondContact O-CD2 3.31Å; D245-H249 PolarHBondContact O-N 3.47Å
246A85.6Confident87.1Confident61 Ų61109.7 Ų109.750%0.50452%0.516SS..Hα-helixtrans-61.3-39.4177.700000113N242 H249 L250N242-A246 WeakPolarHBondContact O-CB 3.22Å; N242-A246 PolarHBondContact O-N 2.93Å; A246-H249 PolarHBondContact O-N 3.17Å; A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.09Å
247R88.1Confident85.8Confident177 Ų177111.9 Ų111.967%0.66853%0.532SS*.Hα-helixtrans-61-46.7174.3-84.4-176.4-177.8168.61.6111.8Q243 E244 D245 H249 L250 E251Q243-R247 WeakPolarHBondContact O-CG 3.33Å; Q243-R247 PolarHBondContact O-N 3.42Å; E244-R247 PolarHBondContact O-N 3.45Å; D245-R247 VanDerWaalsContact C-N 3.35Å; D245-R247 PolarHBondContact O-N 2.9Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.49Å; R247-L250 PolarHBondContact O-N 2.93Å; R247-E251 PolarHBondContact O-N 3.21Å
248R83.9Confident84.3Confident142 Ų142110.4 Ų110.454%0.53654%0.542SS..Hα-helixtrans-59.4-42.1177.9-77.2-172.4-84.1156.8-11112.1E244 D245 L250 E251 Y252E244-R248 WeakPolarHBondContact O-CG 3.36Å; E244-R248 PolarHBondContact O-N 2.86Å; E244-R248 VanDerWaalsContact O-N 3.1Å; D245-R248 PolarHBondContact O-N 3.5Å; D245-R248 IonicContact OD1-CZ 3.23Å; D245-R248 VanDerWaalsContact OD1-CZ 3.23Å; D245-R248 IonicContact OD1-NE 3.84Å; D245-R248 IonicContact OD1-NH1 3.83Å; D245-R248 IonicContact OD1-NH2 2.6Å; D245-R248 PolarHBondContact OD1-NH2 2.99Å; R248-L250 PolarHBondContact O-N 3.22Å; R248-E251 PolarHBondContact O-N 3.36Å; R248-Y252 PolarHBondContact O-N 3.37Å
249H84.6Confident82.5Confident128 Ų128113.6 Ų113.659%0.59356%0.559SS**Hα-helixtrans-64-39.1176.2-75.2-67.8000113.1D245 A246 R247 Y252 L253D245-H249 PolarHBondContact O-CD2 3.31Å; D245-H249 PolarHBondContact O-N 3.47Å; A246-H249 PolarHBondContact O-N 3.17Å; R247-H249 VanDerWaalsContact C-N 3.32Å; R247-H249 PolarHBondContact O-N 3.49Å; H249-Y252 WeakPolarHBondContact O-CB 3.29Å; H249-Y252 PolarHBondContact O-N 2.89Å; H249-L253 WeakPolarHBondContact O-CG 3.47Å; H249-L253 PolarHBondContact O-N 3.47Å
250L83.3Confident80.4Confident95 Ų95116.1 Ų116.150%0.49758%0.576SS.*Hα-helixtrans-66.2-40.8177.5-162.497.6000111.9A246 R247 R248 L253 K254A246-L250 PolarHBondContact O-N 3.44Å; A246-L250 VanDerWaalsContact O-N 3.09Å; R247-L250 PolarHBondContact O-N 2.93Å; R248-L250 PolarHBondContact O-N 3.22Å; L250-L253 PolarHBondContact O-N 2.95Å; L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.98Å
251E83.2Confident78.7Confident131 Ų131115.2 Ų115.261%0.61259%0.588SS**Hα-helixtrans-63.9-40.9175.7-72.8176.6-178.900111.8R247 R248 L253 K254 S255R247-E251 PolarHBondContact O-N 3.21Å; R248-E251 PolarHBondContact O-N 3.36Å; E251-L253 PolarHBondContact O-N 3.41Å; E251-K254 PolarHBondContact O-N 3.48Å; E251-S255 PolarHBondContact O-N 2.96Å; E251-S255 VanDerWaalsContact O-N 3.07Å
252Y79.7Confident76.4Confident156 Ų156121.3 Ų121.361%0.61261%0.614SS**Hα-helixtrans-58.2-47.4172.2-177.9-93.4000111.6R248 H249 K254 S255 L256R248-Y252 PolarHBondContact O-N 3.37Å; H249-Y252 WeakPolarHBondContact O-CB 3.29Å; H249-Y252 PolarHBondContact O-N 2.89Å; Y252-K254 VanDerWaalsContact C-N 3.32Å; Y252-K254 PolarHBondContact O-N 3.17Å; Y252-S255 PolarHBondContact O-N 2.89Å; Y252-S255 VanDerWaalsContact O-N 3.12Å; Y252-S255 PolarHBondContact O-OG 2.71Å; Y252-L256 HydrophobicContact CE1-CD1 4.44Å
253L78.6Confident74.4Confident114 Ų114123.6 Ų123.660%0.59763%0.632SS**Hα-helixtrans-62.1-37.2178.1-71.6172.5000112.9H249 L250 E251 S255 L256H249-L253 WeakPolarHBondContact O-CG 3.47Å; H249-L253 PolarHBondContact O-N 3.47Å; L250-L253 PolarHBondContact O-N 2.95Å; E251-L253 PolarHBondContact O-N 3.41Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.97Å; L253-L256 HydrophobicContact CD2-CD1 3.94Å; L253-L256 WeakPolarHBondContact O-CB 3.17Å; L253-L256 PolarHBondContact O-N 3.03Å
254K78.9Confident72.5Confident159 Ų159125.9 Ų125.969%0.69165%0.648SS**Hα-helixtrans-68.5-27.1175.6-74.6177.9180178.80113.4L250 E251 Y252 L256L250-K254 WeakPolarHBondContact O-CG 3.34Å; L250-K254 PolarHBondContact O-N 2.98Å; E251-K254 PolarHBondContact O-N 3.48Å; Y252-K254 VanDerWaalsContact C-N 3.32Å; Y252-K254 PolarHBondContact O-N 3.17Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.27Å
255S79.3Confident70.4Confident87 Ų87130.2 Ų130.261%0.60867%0.668SS**Hα-helixtrans-76.1-13.117876.30000113.5E251 Y252 L253E251-S255 PolarHBondContact O-N 2.96Å; E251-S255 VanDerWaalsContact O-N 3.07Å; Y252-S255 PolarHBondContact O-N 2.89Å; Y252-S255 VanDerWaalsContact O-N 3.12Å; Y252-S255 PolarHBondContact O-OG 2.71Å; L253-S255 VanDerWaalsContact C-N 3.29Å; L253-S255 PolarHBondContact O-N 2.97Å
256L78.8Confident68.9Low90 Ų90134.1 Ų134.147%0.47169%0.693SS.*SBendtrans-71.6135.8177-68.5163.6000110.4Y252 L253 K254 S258Y252-L256 HydrophobicContact CE1-CD1 4.44Å; L253-L256 HydrophobicContact CD2-CD1 3.94Å; L253-L256 WeakPolarHBondContact O-CB 3.17Å; L253-L256 PolarHBondContact O-N 3.03Å; K254-L256 VanDerWaalsContact C-N 3.25Å; K254-L256 PolarHBondContact O-N 3.27Å; L256-S258 PolarHBondContact O-N 3.13Å
257P70Confident67Low125 Ų125140.1 Ų140.181%0.81271%0.711SS**PPolyproline II helixtrans-65.3121.9-178.224.7-32.3000111.3
258S64.9Low65Low113 Ų113138.7 Ų138.779%0.7972%0.717SS**PPolyproline II helixtrans-75.9131.4174.3590000111.2L256L256-S258 PolarHBondContact O-N 3.13Å
259K57.5Low63.7Low195 Ų195139.3 Ų139.385%0.84873%0.729SS**PPolyproline II helixtrans-61.6136.8171.4-99.5179.3175.5176.70110.5V261K259-V261 PolarHBondContact O-N 3.45Å
260P51.5Low61.8Low120 Ų120138.3 Ų138.378%0.77974%0.736SS**PPolyproline II helixtrans-68.2129.1177.127.8-33.6000110.7K262P260-K262 PolarHBondContact O-N 3.37Å
261V56.6Low60.6Low139 Ų139139.6 Ų139.684%0.84275%0.749SS**PPolyproline II helixtrans-71.9122.7171177.20000108.2K259K259-V261 PolarHBondContact O-N 3.45Å
262K43.5Very low58.8Low190 Ų190139.1 Ų139.183%0.82675%0.754SS**PPolyproline II helixtrans-78.6130.3172.8-75.6-179.4176.8-179.80109.2P260 N264P260-K262 PolarHBondContact O-N 3.37Å; K262-N264 PolarHBondContact O-N 3.4Å
263P49.3Very low57.1Low116 Ų116141.9 Ų141.975%0.75379%0.787SS**SBendtrans-79104.6171.330.5-27.8000108
264N50.4Low56Low156 Ų156143.3 Ų143.383%0.83480%0.796SS**  trans154.686149.9-76.7-12.9000109.1K262K262-N264 PolarHBondContact O-N 3.4Å
265E45.3Very low54.8Low191 Ų191142.4 Ų142.489%0.89380%0.802SS**  trans-152.8110.8149.3-117.2164.9-176.500107
266V54.8Low53.5Low131 Ų131145.5 Ų145.579%0.79481%0.812SS**  trans-78.4122.9172.3174.40000106.2
267E45.4Very low52Low188 Ų188148.8 Ų148.888%0.87983%0.833SS**  trans-135.896.1156.9-77.3-163.5162.600109.9
268D45.3Very low50.9Low146 Ų146150.3 Ų150.378%0.78183%0.834SS**  trans36.1120.5133.9-67.2-21.6000121.1
269I56.1Low49.9Very low155 Ų155152.7 Ų152.780%0.79584%0.837SS**  trans-52128.9154.7-65.2158.2000109.8T271I269-T271 HydrophobicContact CG2-CG2 4.3Å
270S45.8Very low49.4Very low107 Ų107149.7 Ų149.775%0.74884%0.836SS**  trans-131.197.4150.2-170.90000109.7
271T57.7Low49.2Very low123 Ų123152 Ų15276%0.75584%0.84SS**  trans-73.6122.515444.80000108.7I269I269-T271 HydrophobicContact CG2-CG2 4.3Å
272V45.8Very low48.6Very low121 Ų121153.1 Ų153.173%0.73384%0.84SS**  trans-146.3110.8156-176.20000109.8
273V43.7Very low49.1Very low213 Ų213149.7 Ų149.7100%1.29184%0.841SS**  trans54.60148.4-170.80000119.3

Retrieved 273 of 273 residues in 629.4 ms (Link to these results)