A0A087XT29_POEFO Loading...

Maspardin

AlphaFold DB , UniProt , Accession A0A087XT29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 311 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
1M50.4Low85.6Confident197 Ų19779.4 Ų79.497%0.9741%0.412SS*.  0111.80-114.2176.3-81.100104.7P175M1-P175 HydrophobicContact CG-CB 4.39Å; M1-P175 HydrophobicContact SD-CB 4.03Å
2E64.8Low86.3Confident130 Ų13086.8 Ų86.861%0.60743%0.43SS*.  trans-117.5116.4-178.7-79.1-175.8169.900107.7I4 P8E2-I4 PolarHBondContact O-N 3.41Å; E2-P8 WeakPolarHBondContact OE2-CD 3.4Å
3E85.3Confident87Confident89 Ų8980.1 Ų80.142%0.41640%0.397SS..  trans-57.1128.4173.9180-169.7171.100109.3K5 V6 S7E3-K5 HydrophobicContact CG-CB 4.14Å; E3-K5 PolarHBondContact O-N 3.05Å; E3-V6 HydrophobicContact CB-CG2 4.09Å; E3-V6 WeakPolarHBondContact O-CG2 3.32Å; E3-V6 PolarHBondContact O-N 3.32Å; E3-S7 PolarHBondContact O-N 3.31Å; E3-S7 VanDerWaalsContact O-N 3.13Å
4I91.9Very high87.5Confident15 Ų1584.5 Ų84.58%0.07741%0.407CS..G310 helixtrans-51.9-38.8-174.7-65.2176.8000111.4E2 V6 S7 Y10 F60 D179 A180 F183 L259E2-I4 PolarHBondContact O-N 3.41Å; I4-V6 PolarHBondContact O-N 2.87Å; I4-S7 WeakPolarHBondContact O-CB 3.42Å; I4-S7 PolarHBondContact O-N 3.03Å; I4-S7 VanDerWaalsContact O-N 3.1Å; I4-S7 PolarHBondContact O-OG 2.8Å; I4-Y10 VanDerWaalsContact O-CB 3.28Å; I4-Y10 WeakPolarHBondContact O-CB 3.43Å; I4-F60 HydrophobicContact CG2-CE1 3.53Å; I4-F60 HydrophobicContact CG2-CZ 3.56Å; I4-D179 HydrophobicContact CD1-CB 4.37Å; I4-D179 HydrophobicContact CG1-CB 4.2Å; I4-A180 HydrophobicContact CD1-CB 4.49Å; I4-F183 HydrophobicContact CB-CB 3.99Å; I4-F183 HydrophobicContact CB-CD2 3.76Å; I4-F183 HydrophobicContact CB-CE2 4.41Å; I4-F183 HydrophobicContact CB-CG 3.95Å; I4-F183 HydrophobicContact CD1-CB 4.06Å; I4-F183 HydrophobicContact CD1-CG 4.39Å; I4-F183 HydrophobicContact CG2-CB 4.27Å; I4-F183 HydrophobicContact CG2-CD1 4.16Å; I4-F183 HydrophobicContact CG2-CD2 3.41Å; I4-F183 VanDerWaalsContact CG2-CD2 3.41Å; I4-F183 HydrophobicContact CG2-CE1 4.32Å; I4-F183 HydrophobicContact CG2-CE2 3.6Å; I4-F183 HydrophobicContact CG2-CG 3.69Å; I4-F183 HydrophobicContact CG2-CZ 4.05Å; I4-L259 HydrophobicContact CD1-CD2 4.49Å
5K88.6Confident88Confident81 Ų8184.7 Ų84.735%0.35242%0.421SS..G310 helixtrans-58-30.6-177.8-175.5178.3179175.70114.1E3 Y10 F183 D186E3-K5 HydrophobicContact CG-CB 4.14Å; E3-K5 PolarHBondContact O-N 3.05Å; K5-Y10 WeakPolarHBondContact O-CD1 3.44Å; K5-F183 HydrophobicContact CB-CD2 4.41Å; K5-D186 WeakPolarHBondContact CE-OD1 3.44Å; K5-D186 WeakPolarHBondContact CE-OD2 3.29Å; K5-D186 IonicContact NZ-OD1 4Å; K5-D186 PolarHBondContact NZ-OD1 3.04Å; K5-D186 IonicContact NZ-OD2 2.67Å
6V90.6Very high88.3Confident91 Ų9183.7 Ų83.755%0.55242%0.421SS*.G310 helixtrans-111.43.6179.2-61.80000112.6E3 I4 N11E3-V6 HydrophobicContact CB-CG2 4.09Å; E3-V6 WeakPolarHBondContact O-CG2 3.32Å; E3-V6 PolarHBondContact O-N 3.32Å; I4-V6 PolarHBondContact O-N 2.87Å; V6-N11 PolarHBondContact O-ND2 3.4Å
7S93.4Very high88.7Confident14 Ų1479.8 Ų79.810%0.09840%0.402CS..  trans-62.1145.6-178.668.90000112.1E3 I4 D9 Y10 N11E3-S7 PolarHBondContact O-N 3.31Å; E3-S7 VanDerWaalsContact O-N 3.13Å; I4-S7 WeakPolarHBondContact O-CB 3.42Å; I4-S7 PolarHBondContact O-N 3.03Å; I4-S7 VanDerWaalsContact O-N 3.1Å; I4-S7 PolarHBondContact O-OG 2.8Å; S7-D9 VanDerWaalsContact C-N 3.26Å; S7-D9 PolarHBondContact O-N 3.38Å; S7-Y10 PolarHBondContact O-N 3.35Å; S7-Y10 VanDerWaalsContact OG-CB 3.23Å; S7-Y10 WeakPolarHBondContact OG-CB 3.3Å; S7-Y10 PolarHBondContact OG-N 3.39Å; S7-N11 PolarHBondContact O-N 3.08Å; S7-N11 VanDerWaalsContact O-N 3.08Å; S7-N11 PolarHBondContact O-ND2 3.35Å; S7-N11 VanDerWaalsContact O-ND2 3.17Å
8P93.7Very high89.1Confident77 Ų7780.2 Ų80.250%0.541%0.411SS..Hα-helixtrans-55.3-41.5175.5-26.635.1000112.8E2 N11 W12E2-P8 WeakPolarHBondContact OE2-CD 3.4Å; P8-N11 PolarHBondContact O-N 2.83Å; P8-W12 VanDerWaalsContact O-CB 3.3Å; P8-W12 WeakPolarHBondContact O-CB 3.43Å; P8-W12 PolarHBondContact O-N 3.44Å
9D93.2Very high89.5Confident101 Ų10180.2 Ų80.254%0.5441%0.412SS..Hα-helixtrans-63.4-45.8-178.8-69.1-16.9000111.8S7 W12 F13 F60 Q64S7-D9 VanDerWaalsContact C-N 3.26Å; S7-D9 PolarHBondContact O-N 3.38Å; D9-W12 PolarHBondContact O-N 3.3Å; D9-F13 PolarHBondContact O-N 2.89Å; D9-F60 HydrophobicContact CB-CE2 4.29Å; D9-Q64 PolarHBondContact O-NE2 3.5Å
10Y95.3Very high89.9Confident2 Ų280.3 Ų80.31%0.00841%0.409CS..Hα-helixtrans-67.7-39179.1178.1-119.4000112I4 K5 S7 F13 R14 E57 F60 F183 R187I4-Y10 VanDerWaalsContact O-CB 3.28Å; I4-Y10 WeakPolarHBondContact O-CB 3.43Å; K5-Y10 WeakPolarHBondContact O-CD1 3.44Å; S7-Y10 PolarHBondContact O-N 3.35Å; S7-Y10 VanDerWaalsContact OG-CB 3.23Å; S7-Y10 WeakPolarHBondContact OG-CB 3.3Å; S7-Y10 PolarHBondContact OG-N 3.39Å; Y10-F13 HydrophobicContact CD2-CD1 4.32Å; Y10-F13 HydrophobicContact CE2-CD1 4.3Å; Y10-F13 WeakPolarHBondContact O-CB 3.22Å; Y10-F13 PolarHBondContact O-N 3.02Å; Y10-R14 HydrophobicContact CE2-CG 4.07Å; Y10-R14 WeakPolarHBondContact O-CG 3.41Å; Y10-R14 PolarHBondContact O-N 2.6Å; Y10-R14 VanDerWaalsContact O-N 3.15Å; Y10-R14 WeakPolarHBondContact OH-CD 3.43Å; Y10-E57 HydrophobicContact CE2-CB 4.23Å; Y10-E57 PolarHBondContact OH-OE1 3.01Å; Y10-E57 PolarHBondContact OH-OE2 3Å; Y10-F60 HydrophobicContact CD2-CB 4.34Å; Y10-F60 AromaticContact CD2-CD1 3.97Å; Y10-F60 HydrophobicContact CD2-CD1 3.97Å; Y10-F60 HydrophobicContact CD2-CD2 4.09Å; Y10-F60 HydrophobicContact CD2-CE1 4.28Å; Y10-F60 HydrophobicContact CD2-CE2 4.39Å; Y10-F60 AromaticContact CD2-CG 3.86Å; Y10-F60 HydrophobicContact CD2-CG 3.86Å; Y10-F60 HydrophobicContact CD2-CZ 4.48Å; Y10-F183 HydrophobicContact CD1-CE2 4.19Å; Y10-F183 HydrophobicContact CD2-CE2 4.26Å; Y10-F183 HydrophobicContact CD2-CZ 4.1Å; Y10-F183 AromaticContact CE1-CE2 3.96Å; Y10-F183 HydrophobicContact CE1-CE2 3.96Å; Y10-F183 HydrophobicContact CE2-CE2 4.07Å; Y10-F183 AromaticContact CE2-CZ 3.82Å; Y10-F183 HydrophobicContact CE2-CZ 3.82Å; Y10-F183 HydrophobicContact CG-CE2 4.35Å; Y10-F183 AromaticContact CZ-CE2 3.93Å; Y10-R187 PolarHBondContact OH-NH1 2.81Å
11N94.5Very high90.3Very high76 Ų7685.3 Ų85.341%0.40642%0.423SS..Hα-helixtrans-64.4-40.9174.3-73.9-39.5000112.1V6 S7 P8 R14 S15V6-N11 PolarHBondContact O-ND2 3.4Å; S7-N11 PolarHBondContact O-N 3.08Å; S7-N11 VanDerWaalsContact O-N 3.08Å; S7-N11 PolarHBondContact O-ND2 3.35Å; S7-N11 VanDerWaalsContact O-ND2 3.17Å; P8-N11 PolarHBondContact O-N 2.83Å; N11-R14 PolarHBondContact O-N 2.85Å; N11-S15 PolarHBondContact O-N 2.92Å; N11-S15 VanDerWaalsContact O-N 3.11Å; N11-S15 PolarHBondContact O-OG 3.35Å
12W94.2Very high92.6Very high168 Ų16876.8 Ų76.864%0.63638%0.381SS*.Hα-helixtrans-62.5-42.6174.9179-103.4000112.1P8 D9 R14 S15 T16P8-W12 VanDerWaalsContact O-CB 3.3Å; P8-W12 WeakPolarHBondContact O-CB 3.43Å; P8-W12 PolarHBondContact O-N 3.44Å; D9-W12 PolarHBondContact O-N 3.3Å; W12-R14 VanDerWaalsContact C-N 3.34Å; W12-R14 PolarHBondContact O-N 2.98Å; W12-S15 PolarHBondContact O-N 3.41Å; W12-S15 PolarHBondContact O-OG 2.96Å; W12-T16 HydrophobicContact CD2-CG2 3.84Å; W12-T16 VanDerWaalsContact CE2-CG2 3.48Å; W12-T16 HydrophobicContact CE3-CG2 4.3Å; W12-T16 HydrophobicContact CG-CG2 4.36Å; W12-T16 HydrophobicContact CH2-CG2 4.13Å; W12-T16 HydrophobicContact CZ2-CG2 3.64Å; W12-T16 HydrophobicContact CZ3-CG2 4.43Å; W12-T16 WeakPolarHBondContact O-CB 3.2Å; W12-T16 WeakPolarHBondContact O-CG2 3.07Å; W12-T16 PolarHBondContact O-N 3.13Å; W12-T16 VanDerWaalsContact O-N 3.08Å; W12-T16 PolarHBondContact O-OG1 3.39Å
13F95.8Very high94.2Very high0 Ų074.5 Ų74.50%037%0.372CS..Hα-helixtrans-55.8-49.7174.4165.6-108.8000111.6D9 Y10 S15 T16 V17 Y35 E57 F60 V63 Q64D9-F13 PolarHBondContact O-N 2.89Å; Y10-F13 HydrophobicContact CD2-CD1 4.32Å; Y10-F13 HydrophobicContact CE2-CD1 4.3Å; Y10-F13 WeakPolarHBondContact O-CB 3.22Å; Y10-F13 PolarHBondContact O-N 3.02Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.96Å; F13-T16 PolarHBondContact O-N 3Å; F13-T16 PolarHBondContact O-OG1 2.93Å; F13-V17 HydrophobicContact CD2-CB 4.29Å; F13-V17 HydrophobicContact CD2-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CB 4.06Å; F13-V17 HydrophobicContact CE2-CG2 4.14Å; F13-V17 PolarHBondContact O-N 3.2Å; F13-Y35 HydrophobicContact CE1-CD1 4.3Å; F13-Y35 HydrophobicContact CE1-CD2 4.14Å; F13-Y35 HydrophobicContact CE1-CE1 4.02Å; F13-Y35 AromaticContact CE1-CE2 3.85Å; F13-Y35 HydrophobicContact CE1-CE2 3.85Å; F13-Y35 HydrophobicContact CE1-CG 4.34Å; F13-Y35 AromaticContact CE1-CZ 3.77Å; F13-Y35 HydrophobicContact CE2-CD1 4.25Å; F13-Y35 HydrophobicContact CE2-CG 4.18Å; F13-Y35 AromaticContact CZ-CD1 3.68Å; F13-Y35 HydrophobicContact CZ-CD1 3.68Å; F13-Y35 AromaticContact CZ-CD2 3.56Å; F13-Y35 HydrophobicContact CZ-CD2 3.56Å; F13-Y35 AromaticContact CZ-CE1 3.88Å; F13-Y35 HydrophobicContact CZ-CE1 3.88Å; F13-Y35 AromaticContact CZ-CE2 3.77Å; F13-Y35 HydrophobicContact CZ-CE2 3.77Å; F13-Y35 AromaticContact CZ-CG 3.49Å; F13-Y35 HydrophobicContact CZ-CG 3.49Å; F13-Y35 VanDerWaalsContact CZ-CG 3.49Å; F13-Y35 AromaticContact CZ-CZ 3.91Å; F13-E57 HydrophobicContact CE1-CG 4.45Å; F13-F60 HydrophobicContact CB-CB 4.21Å; F13-F60 HydrophobicContact CB-CD2 4.33Å; F13-F60 HydrophobicContact CD1-CB 3.47Å; F13-F60 VanDerWaalsContact CD1-CB 3.47Å; F13-F60 HydrophobicContact CD1-CG 4.46Å; F13-F60 HydrophobicContact CD2-CB 4.05Å; F13-F60 HydrophobicContact CE1-CB 3.71Å; F13-F60 HydrophobicContact CE2-CB 4.26Å; F13-F60 HydrophobicContact CG-CB 3.63Å; F13-F60 HydrophobicContact CZ-CB 4.08Å; F13-V63 HydrophobicContact CD2-CB 4.49Å; F13-V63 HydrophobicContact CD2-CG1 4.35Å; F13-V63 HydrophobicContact CE2-CB 3.95Å; F13-V63 HydrophobicContact CE2-CG1 3.78Å; F13-V63 HydrophobicContact CE2-CG2 4.31Å; F13-Q64 HydrophobicContact CB-CG 4.22Å; F13-Q64 HydrophobicContact CD2-CG 4.32Å
14R94.1Very high94.8Very high142 Ų14271.6 Ų71.654%0.53636%0.361SS..Hα-helixtrans-65.8-27.9-178.4-70.4-176.768.9-179.1-0.5113.9Y10 N11 W12 E57Y10-R14 HydrophobicContact CE2-CG 4.07Å; Y10-R14 WeakPolarHBondContact O-CG 3.41Å; Y10-R14 PolarHBondContact O-N 2.6Å; Y10-R14 VanDerWaalsContact O-N 3.15Å; Y10-R14 WeakPolarHBondContact OH-CD 3.43Å; N11-R14 PolarHBondContact O-N 2.85Å; W12-R14 VanDerWaalsContact C-N 3.34Å; W12-R14 PolarHBondContact O-N 2.98Å; R14-E57 IonicContact NE-OE1 2.7Å
15S94.1Very high94.9Very high88 Ų8871.7 Ų71.762%0.61536%0.361SS*.Hα-helixtrans-83.9-23.6178.468.70000113.1N11 W12 F13N11-S15 PolarHBondContact O-N 2.92Å; N11-S15 VanDerWaalsContact O-N 3.11Å; N11-S15 PolarHBondContact O-OG 3.35Å; W12-S15 PolarHBondContact O-N 3.41Å; W12-S15 PolarHBondContact O-OG 2.96Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.96Å
16T93.4Very high95.1Very high68 Ų6875.7 Ų75.742%0.41739%0.386SS..Hα-helixtrans-102.2-31.5-173.353.20000114.2W12 F13W12-T16 HydrophobicContact CD2-CG2 3.84Å; W12-T16 VanDerWaalsContact CE2-CG2 3.48Å; W12-T16 HydrophobicContact CE3-CG2 4.3Å; W12-T16 HydrophobicContact CG-CG2 4.36Å; W12-T16 HydrophobicContact CH2-CG2 4.13Å; W12-T16 HydrophobicContact CZ2-CG2 3.64Å; W12-T16 HydrophobicContact CZ3-CG2 4.43Å; W12-T16 WeakPolarHBondContact O-CB 3.2Å; W12-T16 WeakPolarHBondContact O-CG2 3.07Å; W12-T16 PolarHBondContact O-N 3.13Å; W12-T16 VanDerWaalsContact O-N 3.08Å; W12-T16 PolarHBondContact O-OG1 3.39Å; F13-T16 PolarHBondContact O-N 3Å; F13-T16 PolarHBondContact O-OG1 2.93Å
17V94.8Very high95.2Very high18 Ų1874.4 Ų74.411%0.10938%0.377CS..SBendtrans-112.8110.6-179.8-1660000109F13 Y35 A37F13-V17 HydrophobicContact CD2-CB 4.29Å; F13-V17 HydrophobicContact CD2-CG2 4.06Å; F13-V17 HydrophobicContact CE2-CB 4.06Å; F13-V17 HydrophobicContact CE2-CG2 4.14Å; F13-V17 PolarHBondContact O-N 3.2Å; V17-Y35 HydrophobicContact CB-CD1 4.11Å; V17-Y35 HydrophobicContact CG1-CD1 3.88Å; V17-Y35 HydrophobicContact CG1-CG 4.38Å; V17-Y35 VanDerWaalsContact O-CD1 3.3Å; V17-Y35 WeakPolarHBondContact O-CD1 3.38Å; V17-Y35 VanDerWaalsContact O-CE1 3.23Å; V17-Y35 WeakPolarHBondContact O-CE1 3.44Å; V17-A37 HydrophobicContact CG1-CB 4.05Å; V17-A37 HydrophobicContact CG2-CB 4.22Å
18P96.3Very high95.1Very high87 Ų8779.8 Ų79.857%0.56540%0.404SS*.PPolyproline II helixtrans-72.6139.5-17828.6-34.1000111.5K20P18-K20 PolarHBondContact O-N 3.25Å
19L97.2Very high95.1Very high79 Ų7980.3 Ų80.341%0.41441%0.409SS..PPolyproline II helixtrans-72.4117.9169.6-177.765000109.5Y35L19-Y35 HydrophobicContact CB-CE1 3.82Å; L19-Y35 HydrophobicContact CD1-CD2 4.16Å; L19-Y35 HydrophobicContact CD1-CE1 4.22Å; L19-Y35 HydrophobicContact CD1-CE2 3.76Å
20K97.6Very high95.2Very high82 Ų8276.7 Ų76.736%0.35739%0.389SS..EExtended strand (participates in β ladder)trans-95.6147.6174.5-62.6179.6-177.5178.20110.2P18 S33 L34 D36P18-K20 PolarHBondContact O-N 3.25Å; K20-S33 CarbonylContact O-C 3.54Å; K20-S33 WeakPolarHBondContact O-CA 3.47Å; K20-L34 HydrophobicContact CB-CD1 4.19Å; K20-L34 HydrophobicContact CB-CG 4.16Å; K20-L34 HydrophobicContact CD-CD1 4.18Å; K20-L34 PolarHBondContact N-O 2.73Å; K20-L34 PolarHBondContact O-N 2.8Å; K20-D36 IonicContact NZ-OD2 3.51Å
21R97.8Very high95.3Very high186 Ų18678.4 Ų78.470%0.70240%0.4SS*.EExtended strand (participates in β ladder)trans-122.7125.1173.9-72.7-176.5178.2-151.9-0.5108.9V31 W32R21-V31 HydrophobicContact CB-CG1 3.61Å; R21-V31 HydrophobicContact CG-CG1 3.83Å; R21-W32 CarbonylContact C-O 3.56Å; R21-W32 VanDerWaalsContact CA-O 3.29Å; R21-W32 WeakPolarHBondContact CA-O 3.38Å
22I98.1Very high95.5Very high18 Ų1874.8 Ų74.89%0.09238%0.38CS..EExtended strand (participates in β ladder)trans-130.1130.7-175.7-53.1-172.9000108.7V24 W32 L34 L94 L98I22-V24 HydrophobicContact CG2-CG1 3.65Å; I22-W32 HydrophobicContact CB-CB 4.45Å; I22-W32 PolarHBondContact N-O 2.78Å; I22-W32 WeakPolarHBondContact O-CB 3.46Å; I22-W32 PolarHBondContact O-N 2.78Å; I22-L34 HydrophobicContact CD1-CD2 3.73Å; I22-L34 HydrophobicContact CG1-CD2 4.23Å; I22-L94 HydrophobicContact CB-CD1 4.3Å; I22-L94 HydrophobicContact CD1-CD1 4.25Å; I22-L94 HydrophobicContact CG2-CD1 4.21Å; I22-L98 HydrophobicContact CD1-CD2 3.86Å
23I97.9Very high95.7Very high82 Ų8267.4 Ų67.442%0.42135%0.354SS..EExtended strand (participates in β ladder)trans-106.3127171.2-62.9166.2000106.4D28 V31I23-D28 HydrophobicContact CD1-CB 4.27Å; I23-D28 WeakPolarHBondContact CD1-O 3.38Å; I23-D28 HydrophobicContact CG2-CB 4.49Å; I23-V31 HydrophobicContact CD1-CG2 4.27Å; I23-V31 HydrophobicContact CG1-CG2 3.96Å
24V97.6Very high95.8Very high29 Ų2967.4 Ų67.418%0.17635%0.354CS..  trans-128-11.7179.5-59.50000113.2I22 K93 L94 H97I22-V24 HydrophobicContact CG2-CG1 3.65Å; V24-K93 HydrophobicContact CB-CB 3.9Å; V24-K93 HydrophobicContact CG2-CB 3.76Å; V24-L94 HydrophobicContact CG1-CD1 4.32Å; V24-L94 HydrophobicContact CG2-CB 4.46Å; V24-H97 HydrophobicContact CG1-CB 3.87Å
25D95.8Very high96Very high17 Ų1761.2 Ų61.29%0.09133%0.331CS..SBendtrans-93160.5174-67.5-71.3000110.5D27 K30 Y81 K93D25-D27 PolarHBondContact O-N 2.89Å; D25-K30 HydrophobicContact CB-CB 4.23Å; D25-K30 HydrophobicContact CB-CD 3.95Å; D25-Y81 PolarHBondContact OD2-OH 3.41Å; D25-K93 IonicContact OD1-NZ 3.84Å; D25-K93 PolarHBondContact OD1-NZ 2.72Å
26D92.4Very high96.2Very high165 Ų16557.7 Ų57.788%0.88231%0.305SS*.SBendtrans-65.9-22.6174.1-58.3-41.5000111.8
27D92.1Very high96.4Very high64 Ų6454.9 Ų54.934%0.34229%0.289SS..SBendtrans-84.5106170.9178.8-4000109.8D25 S29 K30D25-D27 PolarHBondContact O-N 2.89Å; D27-S29 VanDerWaalsContact CG-OG 3.23Å; D27-S29 PolarHBondContact O-N 2.93Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.45Å; D27-S29 PolarHBondContact OD1-N 2.7Å; D27-S29 PolarHBondContact OD1-OG 3.23Å; D27-S29 PolarHBondContact OD2-OG 2.85Å; D27-K30 HydrophobicContact CB-CD 4.12Å; D27-K30 HydrophobicContact CB-CG 4.28Å; D27-K30 WeakPolarHBondContact O-CB 3.45Å; D27-K30 PolarHBondContact O-N 3.37Å
28D92Very high96.5Very high126 Ų12655.1 Ų55.167%0.67430%0.296SS*.THydrogen-bonded Turntrans-69.4-7.6-178.940.1-11.8000114.3I23 K30I23-D28 HydrophobicContact CD1-CB 4.27Å; I23-D28 WeakPolarHBondContact CD1-O 3.38Å; I23-D28 HydrophobicContact CG2-CB 4.49Å; D28-K30 VanDerWaalsContact C-N 3.31Å
29S93.4Very high96.5Very high88 Ų8852.6 Ų52.662%0.61528%0.279SS*.THydrogen-bonded Turntrans-76.3-18.2167.378.70000113.1D27 V31D27-S29 VanDerWaalsContact CG-OG 3.23Å; D27-S29 PolarHBondContact O-N 2.93Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.45Å; D27-S29 PolarHBondContact OD1-N 2.7Å; D27-S29 PolarHBondContact OD1-OG 3.23Å; D27-S29 PolarHBondContact OD2-OG 2.85Å; S29-V31 PolarHBondContact O-N 2.89Å
30K95.9Very high96.4Very high25 Ų2552.8 Ų52.811%0.10928%0.276CS..  trans-84.782.8-179.3-67.8178.4-178.3163.30111.9D25 D27 D28 P79 Y81 E86D25-K30 HydrophobicContact CB-CB 4.23Å; D25-K30 HydrophobicContact CB-CD 3.95Å; D27-K30 HydrophobicContact CB-CD 4.12Å; D27-K30 HydrophobicContact CB-CG 4.28Å; D27-K30 WeakPolarHBondContact O-CB 3.45Å; D27-K30 PolarHBondContact O-N 3.37Å; D28-K30 VanDerWaalsContact C-N 3.31Å; K30-P79 HydrophobicContact CB-CB 3.91Å; K30-P79 HydrophobicContact CB-CG 4.02Å; K30-P79 HydrophobicContact CG-CB 4.34Å; K30-Y81 HydrophobicContact CD-CD1 4.38Å; K30-Y81 HydrophobicContact CD-CE1 3.9Å; K30-E86 WeakPolarHBondContact CE-OE1 3.42Å; K30-E86 IonicContact NZ-OE1 3.62Å; K30-E86 PolarHBondContact NZ-OE1 2.83Å
31V97.3Very high96.2Very high39 Ų3953 Ų5324%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-95.3113-179.5-173.50000111.5R21 I23 S29 S33R21-V31 HydrophobicContact CB-CG1 3.61Å; R21-V31 HydrophobicContact CG-CG1 3.83Å; I23-V31 HydrophobicContact CD1-CG2 4.27Å; I23-V31 HydrophobicContact CG1-CG2 3.96Å; S29-V31 PolarHBondContact O-N 2.89Å; V31-S33 PolarHBondContact O-N 2.77Å
32W98.2Very high96.2Very high0 Ų044.6 Ų44.60%026%0.257CS..EExtended strand (participates in β ladder)trans-71.6123.4163.9-70.389000109.9R21 I22 L76 Y78 P79 Y81 F87 F91 L94R21-W32 CarbonylContact C-O 3.56Å; R21-W32 VanDerWaalsContact CA-O 3.29Å; R21-W32 WeakPolarHBondContact CA-O 3.38Å; I22-W32 HydrophobicContact CB-CB 4.45Å; I22-W32 PolarHBondContact N-O 2.78Å; I22-W32 WeakPolarHBondContact O-CB 3.46Å; I22-W32 PolarHBondContact O-N 2.78Å; W32-L76 HydrophobicContact CE3-CD1 4.38Å; W32-L76 HydrophobicContact CZ3-CD1 4.04Å; W32-Y78 VanDerWaalsContact CZ3-CB 3.4Å; W32-P79 VanDerWaalsContact CD2-CD 3.42Å; W32-P79 HydrophobicContact CD2-CG 4.21Å; W32-P79 HydrophobicContact CG-CG 4.27Å; W32-Y81 HydrophobicContact CH2-CE2 4.11Å; W32-Y81 AromaticContact CZ2-CE2 3.53Å; W32-Y81 HydrophobicContact CZ2-CE2 3.53Å; W32-Y81 AromaticContact CZ2-CZ 3.86Å; W32-Y81 VanDerWaalsContact CZ2-OH 3.3Å; W32-Y81 WeakPolarHBondContact CZ2-OH 3.48Å; W32-Y81 PolarHBondContact NE1-OH 2.96Å; W32-F87 HydrophobicContact CH2-CE2 4.04Å; W32-F91 HydrophobicContact CH2-CB 3.85Å; W32-F91 AromaticContact CH2-CD2 3.74Å; W32-F91 HydrophobicContact CH2-CD2 3.74Å; W32-F91 HydrophobicContact CH2-CG 4.15Å; W32-F91 HydrophobicContact CZ2-CB 4.06Å; W32-F91 HydrophobicContact CZ2-CD2 4.4Å; W32-F91 HydrophobicContact CZ3-CD2 4.07Å; W32-L94 HydrophobicContact CB-CD1 4.12Å; W32-L94 HydrophobicContact CB-CD2 4.47Å; W32-L94 HydrophobicContact CD2-CB 4.46Å; W32-L94 HydrophobicContact CD2-CD2 3.68Å; W32-L94 HydrophobicContact CD2-CG 4.43Å; W32-L94 HydrophobicContact CE3-CD2 3.58Å; W32-L94 HydrophobicContact CG-CD1 4.07Å; W32-L94 HydrophobicContact CG-CD2 4.09Å; W32-L94 HydrophobicContact CG-CG 4.49Å; W32-L94 HydrophobicContact CZ3-CD2 4.01Å
33S98.1Very high96.1Very high13 Ų1349.9 Ų49.99%0.09128%0.276CS..EExtended strand (participates in β ladder)trans-106.8127.8174.9-66.70000109.4K20 V31 L76 Q77K20-S33 CarbonylContact O-C 3.54Å; K20-S33 WeakPolarHBondContact O-CA 3.47Å; V31-S33 PolarHBondContact O-N 2.77Å; S33-L76 CarbonylContact O-C 3.54Å; S33-Q77 PolarHBondContact N-O 3.31Å; S33-Q77 PolarHBondContact O-N 3.19Å
34L98.1Very high96.1Very high0 Ų046.1 Ų46.10%026%0.257CS..EExtended strand (participates in β ladder)trans-149.8149.7-174.46898000115.5K20 I22 D36 I74 S75 L76 L94K20-L34 HydrophobicContact CB-CD1 4.19Å; K20-L34 HydrophobicContact CB-CG 4.16Å; K20-L34 HydrophobicContact CD-CD1 4.18Å; K20-L34 PolarHBondContact N-O 2.73Å; K20-L34 PolarHBondContact O-N 2.8Å; I22-L34 HydrophobicContact CD1-CD2 3.73Å; I22-L34 HydrophobicContact CG1-CD2 4.23Å; L34-D36 HydrophobicContact CD1-CB 3.66Å; L34-I74 HydrophobicContact CB-CG2 4.33Å; L34-I74 HydrophobicContact CD1-CG2 4.08Å; L34-S75 CarbonylContact C-O 3.54Å; L34-S75 WeakPolarHBondContact CA-O 3.37Å; L34-S75 WeakPolarHBondContact CB-O 3.46Å; L34-L76 HydrophobicContact CB-CD2 3.4Å; L34-L76 VanDerWaalsContact CB-CD2 3.4Å; L34-L76 HydrophobicContact CD2-CD2 3.91Å; L34-L76 HydrophobicContact CG-CD2 4.24Å; L34-L94 HydrophobicContact CD2-CD1 4.23Å
35Y98.5Very high96.1Very high11 Ų1144.8 Ų44.84%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-103.8124.3164.2-64.8-79.5000108.4F13 V17 L19 A56 E57 I74 S75F13-Y35 HydrophobicContact CE1-CD1 4.3Å; F13-Y35 HydrophobicContact CE1-CD2 4.14Å; F13-Y35 HydrophobicContact CE1-CE1 4.02Å; F13-Y35 AromaticContact CE1-CE2 3.85Å; F13-Y35 HydrophobicContact CE1-CE2 3.85Å; F13-Y35 HydrophobicContact CE1-CG 4.34Å; F13-Y35 AromaticContact CE1-CZ 3.77Å; F13-Y35 HydrophobicContact CE2-CD1 4.25Å; F13-Y35 HydrophobicContact CE2-CG 4.18Å; F13-Y35 AromaticContact CZ-CD1 3.68Å; F13-Y35 HydrophobicContact CZ-CD1 3.68Å; F13-Y35 AromaticContact CZ-CD2 3.56Å; F13-Y35 HydrophobicContact CZ-CD2 3.56Å; F13-Y35 AromaticContact CZ-CE1 3.88Å; F13-Y35 HydrophobicContact CZ-CE1 3.88Å; F13-Y35 AromaticContact CZ-CE2 3.77Å; F13-Y35 HydrophobicContact CZ-CE2 3.77Å; F13-Y35 AromaticContact CZ-CG 3.49Å; F13-Y35 HydrophobicContact CZ-CG 3.49Å; F13-Y35 VanDerWaalsContact CZ-CG 3.49Å; F13-Y35 AromaticContact CZ-CZ 3.91Å; V17-Y35 HydrophobicContact CB-CD1 4.11Å; V17-Y35 HydrophobicContact CG1-CD1 3.88Å; V17-Y35 HydrophobicContact CG1-CG 4.38Å; V17-Y35 VanDerWaalsContact O-CD1 3.3Å; V17-Y35 WeakPolarHBondContact O-CD1 3.38Å; V17-Y35 VanDerWaalsContact O-CE1 3.23Å; V17-Y35 WeakPolarHBondContact O-CE1 3.44Å; L19-Y35 HydrophobicContact CB-CE1 3.82Å; L19-Y35 HydrophobicContact CD1-CD2 4.16Å; L19-Y35 HydrophobicContact CD1-CE1 4.22Å; L19-Y35 HydrophobicContact CD1-CE2 3.76Å; Y35-A56 HydrophobicContact CD2-CB 3.76Å; Y35-A56 HydrophobicContact CE2-CB 4.01Å; Y35-E57 HydrophobicContact CE2-CB 4.5Å; Y35-E57 HydrophobicContact CE2-CG 3.55Å; Y35-E57 WeakPolarHBondContact OH-CG 3.34Å; Y35-E57 PolarHBondContact OH-OE1 2.7Å; Y35-I74 CarbonylContact O-C 3.54Å; Y35-I74 VanDerWaalsContact O-CA 3.25Å; Y35-I74 WeakPolarHBondContact O-CA 3.23Å; Y35-S75 PolarHBondContact N-O 2.96Å; Y35-S75 PolarHBondContact O-N 2.67Å
36D98.1Very high96.3Very high14 Ų1444 Ų448%0.07524%0.244CC..EExtended strand (participates in β ladder)trans-121.9103.3178.1173.815.6000108.7K20 L34 K40 R72 I74K20-D36 IonicContact NZ-OD2 3.51Å; L34-D36 HydrophobicContact CD1-CB 3.66Å; D36-K40 PolarHBondContact O-NZ 3.25Å; D36-K40 IonicContact OD1-NZ 2.89Å; D36-K40 PolarHBondContact OD1-NZ 3.11Å; D36-K40 WeakPolarHBondContact OD2-CE 3.37Å; D36-K40 IonicContact OD2-NZ 2.72Å; D36-K40 PolarHBondContact OD2-NZ 2.99Å; D36-R72 IonicContact OD1-CZ 3.82Å; D36-R72 IonicContact OD1-NE 3.55Å; D36-R72 PolarHBondContact OD1-NE 3.32Å; D36-R72 VanDerWaalsContact OD1-NE 3.12Å; D36-R72 IonicContact OD1-NH2 3.97Å; D36-R72 IonicContact OD2-CZ 3.8Å; D36-R72 IonicContact OD2-NE 3.06Å; D36-R72 IonicContact OD2-NH2 3.57Å; D36-R72 PolarHBondContact OD2-NH2 3.27Å; D36-R72 VanDerWaalsContact OD2-NH2 3.08Å; D36-I74 HydrophobicContact CB-CG1 4.16Å
37A97.9Very high96.6Very high9 Ų936.1 Ų36.17%0.07420%0.202CC..EExtended strand (participates in β ladder)trans-116.3160.3-17500000111.8V17 V63 T67 R72 V73V17-A37 HydrophobicContact CG1-CB 4.05Å; V17-A37 HydrophobicContact CG2-CB 4.22Å; A37-V63 HydrophobicContact CB-CG1 3.63Å; A37-T67 HydrophobicContact CB-CG2 4.2Å; A37-T67 WeakPolarHBondContact CB-OG1 3.3Å; A37-R72 WeakPolarHBondContact O-CA 3.4Å; A37-R72 WeakPolarHBondContact O-CG 3.18Å; A37-V73 PolarHBondContact N-O 2.97Å; A37-V73 PolarHBondContact O-N 3.25Å
38G96.8Very high96.9Very high24 Ų2433 Ų3325%0.24719%0.186CC..SBendtrans82.6-178-17800000115.3K40G38-K40 PolarHBondContact O-N 2.93Å; G38-K40 PolarHBondContact O-NZ 3.38Å
39P96Very high97.2Very high33 Ų3327 Ų2721%0.21415%0.154CC..  trans-64121.2-167.4-21.732.6000113.1S41 I42 R72 D285P39-S41 PolarHBondContact O-N 3.31Å; P39-I42 HydrophobicContact CB-CD1 3.86Å; P39-I42 HydrophobicContact CB-CG1 4.28Å; P39-I42 HydrophobicContact CG-CD1 3.95Å; P39-I42 WeakPolarHBondContact O-CB 3.5Å; P39-I42 PolarHBondContact O-N 2.91Å; P39-R72 WeakPolarHBondContact O-CD 3.46Å; P39-D285 HydrophobicContact CG-CB 4.18Å
40K94.6Very high97.5Very high83 Ų8322.9 Ų22.936%0.36113%0.125SC..THydrogen-bonded Turntrans-73.1-14.2-178.2-57.2-53.2178.7-140.70114.2D36 G38 I42 R43D36-K40 PolarHBondContact O-NZ 3.25Å; D36-K40 IonicContact OD1-NZ 2.89Å; D36-K40 PolarHBondContact OD1-NZ 3.11Å; D36-K40 WeakPolarHBondContact OD2-CE 3.37Å; D36-K40 IonicContact OD2-NZ 2.72Å; D36-K40 PolarHBondContact OD2-NZ 2.99Å; G38-K40 PolarHBondContact O-N 2.93Å; G38-K40 PolarHBondContact O-NZ 3.38Å; K40-I42 PolarHBondContact O-N 2.88Å; K40-R43 PolarHBondContact O-NH1 3.46Å
41S94.4Very high97.5Very high87 Ų8722 Ų2261%0.60812%0.122SC*.THydrogen-bonded Turntrans-61.1-28.6170.647.90000112.2P39 R43P39-S41 PolarHBondContact O-N 3.31Å; S41-R43 PolarHBondContact O-N 3.12Å
42I96.8Very high97.5Very high10 Ų1020.8 Ų20.85%0.05111%0.114CC..  trans-71.6121.1178.3-63.4164.2000109.6P39 K40 R72 A282 D285P39-I42 HydrophobicContact CB-CD1 3.86Å; P39-I42 HydrophobicContact CB-CG1 4.28Å; P39-I42 HydrophobicContact CG-CD1 3.95Å; P39-I42 WeakPolarHBondContact O-CB 3.5Å; P39-I42 PolarHBondContact O-N 2.91Å; K40-I42 PolarHBondContact O-N 2.88Å; I42-R72 HydrophobicContact CB-CB 3.83Å; I42-R72 HydrophobicContact CD1-CB 3.89Å; I42-R72 HydrophobicContact CG1-CB 4.47Å; I42-R72 HydrophobicContact CG2-CB 3.88Å; I42-R72 WeakPolarHBondContact O-CD 3.49Å; I42-R72 PolarHBondContact O-NH1 2.71Å; I42-A282 WeakPolarHBondContact CG2-O 3.36Å; I42-D285 VanDerWaalsContact CD1-N 3.34Å
43R96.2Very high97.3Very high129 Ų12921 Ų2149%0.48712%0.116SC..SBendtrans-100.1-6.6-178.2-60.8-55-168.1-154.612.7114.5K40 S41 P45K40-R43 PolarHBondContact O-NH1 3.46Å; S41-R43 PolarHBondContact O-N 3.12Å; R43-P45 VanDerWaalsContact C-CD 3.44Å; R43-P45 WeakPolarHBondContact O-CD 3.46Å
44C98.1Very high97.1Very high3 Ų320.4 Ų20.42%0.0211%0.111CC..SBendtrans-121.968.8174.3-168.50000110.8K102 Y281 A283C44-K102 WeakPolarHBondContact CA-O 3.41Å; C44-K102 PolarHBondContact SG-O 3.47Å; C44-Y281 WeakPolarHBondContact CB-O 3.45Å; C44-Y281 PolarHBondContact SG-O 3.05Å; C44-Y281 VanDerWaalsContact SG-O 3.41Å; C44-A283 VanDerWaalsContact O-CA 3.24Å; C44-A283 WeakPolarHBondContact O-CA 3.42Å; C44-A283 WeakPolarHBondContact O-CB 3.27Å
45P98.6Very high97Very high0 Ų020.6 Ų20.60%011%0.113CC..  trans-69.8166.2-17930.7-36.1000112.2R43 I47 R72 I74 L100 V103 H104R43-P45 VanDerWaalsContact C-CD 3.44Å; R43-P45 WeakPolarHBondContact O-CD 3.46Å; P45-I47 HydrophobicContact CG-CG1 4.36Å; P45-R72 HydrophobicContact CB-CB 4.1Å; P45-R72 HydrophobicContact CB-CG 3.9Å; P45-R72 WeakPolarHBondContact CB-O 3.35Å; P45-I74 HydrophobicContact CB-CD1 4.25Å; P45-I74 HydrophobicContact CB-CG1 4.28Å; P45-I74 HydrophobicContact CG-CD1 3.84Å; P45-I74 HydrophobicContact CG-CG1 4.4Å; P45-L100 HydrophobicContact CG-CD1 3.67Å; P45-L100 HydrophobicContact CG-CD2 3.97Å; P45-L100 HydrophobicContact CG-CG 4.43Å; P45-V103 HydrophobicContact CG-CG1 4.26Å; P45-H104 PolarHBondContact O-N 3.06Å
46I98.9Very high96.9Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-87.5129.5161-176.7167.3000110.1F48 R72 V73 I74 H104 F106 I132 I269 L273I46-F48 HydrophobicContact CB-CE2 4.44Å; I46-F48 HydrophobicContact CD1-CE2 3.91Å; I46-F48 HydrophobicContact CD1-CZ 3.89Å; I46-F48 HydrophobicContact CG1-CD2 4.33Å; I46-F48 HydrophobicContact CG1-CE2 3.75Å; I46-F48 HydrophobicContact CG1-CZ 4.23Å; I46-F48 HydrophobicContact CG2-CE2 3.98Å; I46-R72 PolarHBondContact N-O 2.98Å; I46-R72 VanDerWaalsContact N-O 3.17Å; I46-V73 HydrophobicContact CG2-CB 4.39Å; I46-V73 HydrophobicContact CG2-CG1 4.39Å; I46-V73 HydrophobicContact CG2-CG2 3.91Å; I46-V73 WeakPolarHBondContact O-CA 3.09Å; I46-I74 PolarHBondContact O-N 2.95Å; I46-H104 CarbonylContact C-O 3.56Å; I46-H104 WeakPolarHBondContact CA-O 3.22Å; I46-H104 HydrophobicContact CB-CB 4.18Å; I46-H104 HydrophobicContact CG1-CB 4.29Å; I46-F106 HydrophobicContact CD1-CB 4.21Å; I46-F106 HydrophobicContact CG1-CB 4.44Å; I46-I132 HydrophobicContact CD1-CD1 3.97Å; I46-I269 HydrophobicContact CD1-CG2 3.58Å; I46-L273 HydrophobicContact CB-CD1 4.33Å; I46-L273 HydrophobicContact CD1-CD1 4.01Å; I46-L273 HydrophobicContact CG2-CD1 4.35Å
47I98.9Very high96.8Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-113.7131.4-179.8-55.6-163.4000110P45 I74 L76 F91 L95 L100 V103 H104 L105 F106P45-I47 HydrophobicContact CG-CG1 4.36Å; I47-I74 CarbonylContact C-O 2.87Å; I47-I74 WeakPolarHBondContact CA-O 3.39Å; I47-I74 HydrophobicContact CD1-CD1 4.34Å; I47-I74 HydrophobicContact CG1-CB 4.1Å; I47-I74 HydrophobicContact CG1-CD1 4.47Å; I47-L76 HydrophobicContact CG2-CD1 3.32Å; I47-L76 HydrophobicContact CG2-CG 3.65Å; I47-F91 HydrophobicContact CD1-CE2 4.49Å; I47-F91 HydrophobicContact CD1-CZ 4.31Å; I47-F91 HydrophobicContact CG2-CE2 4.43Å; I47-F91 HydrophobicContact CG2-CZ 4.25Å; I47-L95 HydrophobicContact CD1-CD2 3.67Å; I47-L100 HydrophobicContact CD1-CD1 4.2Å; I47-V103 HydrophobicContact CD1-CB 4.05Å; I47-V103 HydrophobicContact CD1-CG1 3.68Å; I47-V103 HydrophobicContact CD1-CG2 4.32Å; I47-V103 HydrophobicContact CG1-CB 4.14Å; I47-V103 HydrophobicContact CG1-CG1 4.17Å; I47-H104 PolarHBondContact N-O 3.13Å; I47-L105 HydrophobicContact CB-CD2 3.75Å; I47-L105 HydrophobicContact CG2-CD2 4.17Å; I47-L105 WeakPolarHBondContact O-CA 3.35Å; I47-F106 PolarHBondContact O-N 3.44Å
48F98.9Very high96.8Very high0 Ų020.3 Ų20.30%011%0.11CC..EExtended strand (participates in β ladder)trans-103126.6-179.5-70.7-103.9000111.7I46 F59 Q62 L66 V73 I74 L76 F106 I269I46-F48 HydrophobicContact CB-CE2 4.44Å; I46-F48 HydrophobicContact CD1-CE2 3.91Å; I46-F48 HydrophobicContact CD1-CZ 3.89Å; I46-F48 HydrophobicContact CG1-CD2 4.33Å; I46-F48 HydrophobicContact CG1-CE2 3.75Å; I46-F48 HydrophobicContact CG1-CZ 4.23Å; I46-F48 HydrophobicContact CG2-CE2 3.98Å; F48-F59 HydrophobicContact CB-CB 4.28Å; F48-F59 HydrophobicContact CB-CD1 4.45Å; F48-F59 HydrophobicContact CB-CD2 3.48Å; F48-F59 VanDerWaalsContact CB-CD2 3.48Å; F48-F59 HydrophobicContact CB-CE2 3.8Å; F48-F59 HydrophobicContact CB-CG 3.82Å; F48-F59 HydrophobicContact CB-CZ 4.41Å; F48-F59 HydrophobicContact CD1-CB 4.05Å; F48-F59 AromaticContact CD1-CD1 3.63Å; F48-F59 HydrophobicContact CD1-CD1 3.63Å; F48-F59 HydrophobicContact CD1-CD2 4.2Å; F48-F59 HydrophobicContact CD1-CE1 4.06Å; F48-F59 AromaticContact CD1-CG 3.69Å; F48-F59 HydrophobicContact CD1-CG 3.69Å; F48-F59 HydrophobicContact CD1-CZ 4.49Å; F48-F59 HydrophobicContact CE1-CD1 4.37Å; F48-F59 HydrophobicContact CG-CB 4.22Å; F48-F59 HydrophobicContact CG-CD1 4.4Å; F48-F59 HydrophobicContact CG-CD2 4.2Å; F48-F59 HydrophobicContact CG-CG 4.02Å; F48-Q62 HydrophobicContact CD1-CG 4.41Å; F48-Q62 HydrophobicContact CE1-CB 3.81Å; F48-Q62 HydrophobicContact CE1-CG 3.61Å; F48-Q62 HydrophobicContact CE2-CB 4.47Å; F48-Q62 HydrophobicContact CZ-CB 3.78Å; F48-Q62 HydrophobicContact CZ-CG 3.99Å; F48-L66 HydrophobicContact CE2-CD1 4.04Å; F48-L66 HydrophobicContact CZ-CD1 3.73Å; F48-V73 HydrophobicContact CD2-CG1 3.65Å; F48-V73 HydrophobicContact CE2-CG1 3.49Å; F48-V73 VanDerWaalsContact CE2-CG1 3.49Å; F48-I74 PolarHBondContact N-O 3.37Å; F48-L76 PolarHBondContact O-N 3.25Å; F48-F106 CarbonylContact C-O 3.57Å; F48-F106 WeakPolarHBondContact CA-O 3.3Å; F48-F106 HydrophobicContact CD1-CB 3.64Å; F48-F106 AromaticContact CD1-CD1 3.3Å; F48-F106 HydrophobicContact CD1-CD1 3.3Å; F48-F106 HydrophobicContact CD1-CD2 4.38Å; F48-F106 HydrophobicContact CD1-CE1 4.03Å; F48-F106 AromaticContact CD1-CG 3.52Å; F48-F106 HydrophobicContact CD1-CG 3.52Å; F48-F106 HydrophobicContact CE1-CB 3.63Å; F48-F106 AromaticContact CE1-CD1 3.59Å; F48-F106 HydrophobicContact CE1-CD1 3.59Å; F48-F106 AromaticContact CE1-CD2 3.83Å; F48-F106 HydrophobicContact CE1-CD2 3.83Å; F48-F106 HydrophobicContact CE1-CE1 4.17Å; F48-F106 HydrophobicContact CE1-CE2 4.37Å; F48-F106 AromaticContact CE1-CG 3.39Å; F48-F106 HydrophobicContact CE1-CG 3.39Å; F48-F106 HydrophobicContact CG-CB 4.11Å; F48-F106 HydrophobicContact CG-CD1 4.31Å; F48-F106 HydrophobicContact CG-CG 4.44Å; F48-F106 HydrophobicContact CZ-CB 4.11Å; F48-F106 HydrophobicContact CZ-CG 4.26Å; F48-I269 HydrophobicContact CE1-CD1 3.92Å; F48-I269 HydrophobicContact CZ-CD1 3.9Å
49L98.8Very high96.9Very high0 Ų019.1 Ų19.10%010%0.098CC..EExtended strand (participates in β ladder)trans-110.6121.6177-66.3177000111L76 Y78 F87 F106 A108 G111 A115L49-L76 HydrophobicContact CD2-CB 4.25Å; L49-L76 HydrophobicContact CD2-CD1 3.92Å; L49-Y78 HydrophobicContact CD2-CD1 4.46Å; L49-F87 HydrophobicContact CD1-CZ 4.3Å; L49-F106 PolarHBondContact N-O 3.41Å; L49-A108 PolarHBondContact O-N 3.1Å; L49-A108 VanDerWaalsContact O-N 3.12Å; L49-G111 WeakPolarHBondContact CD1-O 3.43Å; L49-A115 HydrophobicContact CD1-CB 4.02Å
50P98.3Very high97Very high0 Ų017.6 Ų17.60%09%0.088CC..  trans-78.3160.8-172.730.1-35.6000112.9V58 F59 L76 Y78 G111P50-V58 HydrophobicContact CB-CG2 4.24Å; P50-F59 HydrophobicContact CB-CE2 3.95Å; P50-L76 WeakPolarHBondContact CD-O 3.48Å; P50-L76 VanDerWaalsContact CG-O 3.32Å; P50-L76 WeakPolarHBondContact CG-O 3.25Å; P50-Y78 HydrophobicContact CG-CD1 4.25Å; P50-Y78 HydrophobicContact CG-CE1 3.77Å; P50-Y78 PolarHBondContact O-OH 3.18Å; P50-G111 WeakPolarHBondContact O-CA 3.27Å; P50-G111 PolarHBondContact O-N 3.02Å
51P97.4Very high97.1Very high7 Ų715.4 Ų15.45%0.0458%0.079CC..  trans-70.3177.8169.336.3-39.7000111S53 G54 A108 M184 Y258P51-S53 PolarHBondContact O-N 3.37Å; P51-S53 VanDerWaalsContact O-N 3.17Å; P51-G54 PolarHBondContact O-N 2.86Å; P51-A108 WeakPolarHBondContact CA-O 3.39Å; P51-M184 HydrophobicContact CG-CE 3.94Å; P51-Y258 WeakPolarHBondContact CG-OH 3.48Å
52V96.1Very high97.3Very high13 Ų1311.3 Ų11.38%0.0795%0.05CC..THydrogen-bonded Turntrans-47.9-45.9176.5175.10000112.4G54 L110 V164 R199 L200 N203V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 3.15Å; V52-L110 HydrophobicContact CG2-CB 3.92Å; V52-L110 HydrophobicContact CG2-CD2 3.62Å; V52-L110 HydrophobicContact CG2-CG 4.39Å; V52-V164 HydrophobicContact CG1-CG1 4.49Å; V52-V164 HydrophobicContact CG1-CG2 3.7Å; V52-R199 HydrophobicContact CB-CB 4.46Å; V52-R199 HydrophobicContact CG1-CB 3.99Å; V52-R199 HydrophobicContact CG2-CB 4.42Å; V52-R199 WeakPolarHBondContact O-CD 3.37Å; V52-R199 PolarHBondContact O-NH1 3.37Å; V52-L200 HydrophobicContact CG1-CD2 4.09Å; V52-L200 HydrophobicContact CG1-CG 4.09Å; V52-N203 HydrophobicContact CG2-CB 4.16Å
53S93.9Very high97.4Very high5 Ų510.8 Ų10.84%0.0355%0.048CC..THydrogen-bonded Turntrans-80.2-6.5-177.949.80000115.2P51 M184P51-S53 PolarHBondContact O-N 3.37Å; P51-S53 VanDerWaalsContact O-N 3.17Å; S53-M184 WeakPolarHBondContact OG-CE 3.28Å
54G93.3Very high97.4Very high0 Ų07 Ų70%04%0.035CC..  trans-97.1153.4-167.200000114.8P51 V52 R199P51-G54 PolarHBondContact O-N 2.86Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 3.15Å; G54-R199 PolarHBondContact O-NH1 3.34Å
55T96.4Very high97.4Very high4 Ų48 Ų83%0.0254%0.044CC..  trans-108.5178.6165.264.60000109.7E57 V58 Q77 R187 L191T55-E57 PolarHBondContact O-N 3.23Å; T55-E57 PolarHBondContact OG1-N 3.09Å; T55-V58 VanDerWaalsContact O-CG2 3.3Å; T55-V58 WeakPolarHBondContact O-CG2 3.45Å; T55-V58 PolarHBondContact O-N 2.86Å; T55-Q77 VanDerWaalsContact CB-OE1 3.24Å; T55-R187 HydrophobicContact CG2-CB 4.41Å; T55-R187 WeakPolarHBondContact OG1-CD 3.34Å; T55-L191 HydrophobicContact CG2-CD2 4.09Å
56A96.3Very high97.4Very high1 Ų18 Ų81%0.0084%0.044CC..G310 helixtrans-60.1-17.2173.200000113.3Y35 S75 L76 Q77Y35-A56 HydrophobicContact CD2-CB 3.76Å; Y35-A56 HydrophobicContact CE2-CB 4.01Å; A56-S75 WeakPolarHBondContact O-CB 3.5Å; A56-S75 PolarHBondContact O-OG 2.73Å; A56-L76 WeakPolarHBondContact CA-O 3.2Å; A56-Q77 HydrophobicContact CB-CB 4.09Å
57E96.3Very high97.3Very high27 Ų2710 Ų1013%0.1266%0.056CC..G310 helixtrans-79.9-17.1-178-62-176.3110.900113.7Y10 F13 R14 Y35 T55 F59 F60 R187Y10-E57 HydrophobicContact CE2-CB 4.23Å; Y10-E57 PolarHBondContact OH-OE1 3.01Å; Y10-E57 PolarHBondContact OH-OE2 3Å; F13-E57 HydrophobicContact CE1-CG 4.45Å; R14-E57 IonicContact NE-OE1 2.7Å; Y35-E57 HydrophobicContact CE2-CB 4.5Å; Y35-E57 HydrophobicContact CE2-CG 3.55Å; Y35-E57 WeakPolarHBondContact OH-CG 3.34Å; Y35-E57 PolarHBondContact OH-OE1 2.7Å; T55-E57 PolarHBondContact O-N 3.23Å; T55-E57 PolarHBondContact OG1-N 3.09Å; E57-F59 PolarHBondContact O-N 3.18Å; E57-F60 WeakPolarHBondContact O-CB 3.21Å; E57-F60 WeakPolarHBondContact O-CD1 3.4Å; E57-F60 PolarHBondContact O-N 3.23Å; E57-R187 IonicContact OE2-CZ 3.33Å; E57-R187 IonicContact OE2-NE 2.73Å; E57-R187 IonicContact OE2-NH1 3.65Å; E57-R187 PolarHBondContact OE2-NH1 2.57Å
58V97.8Very high97.1Very high0 Ų012.9 Ų12.90%09%0.086CC..G310 helixtrans-66.8-14.2-174.6-53.20000113.3P50 T55 M184 R187 Y258 L259P50-V58 HydrophobicContact CB-CG2 4.24Å; T55-V58 VanDerWaalsContact O-CG2 3.3Å; T55-V58 WeakPolarHBondContact O-CG2 3.45Å; T55-V58 PolarHBondContact O-N 2.86Å; V58-M184 HydrophobicContact CB-SD 3.88Å; V58-M184 HydrophobicContact CG1-CE 4.01Å; V58-M184 HydrophobicContact CG1-SD 3.43Å; V58-M184 WeakPolarHBondContact CG1-SD 3.23Å; V58-R187 HydrophobicContact CG1-CB 4.47Å; V58-R187 HydrophobicContact CG1-CG 3.95Å; V58-Y258 HydrophobicContact CB-CE2 3.99Å; V58-Y258 HydrophobicContact CG2-CE2 3.9Å; V58-Y258 WeakPolarHBondContact O-CD2 3.26Å; V58-L259 VanDerWaalsContact O-CD2 3.26Å; V58-L259 WeakPolarHBondContact O-CD2 3.34Å
59F98.3Very high97Very high0 Ų017.3 Ų17.30%010%0.102CC..G310 helixtrans-104.418.3177.3-55.4-66.2000113.2F48 P50 E57 Q61 Q62 V63 S75 F106 A108 Y258F48-F59 HydrophobicContact CB-CB 4.28Å; F48-F59 HydrophobicContact CB-CD1 4.45Å; F48-F59 HydrophobicContact CB-CD2 3.48Å; F48-F59 VanDerWaalsContact CB-CD2 3.48Å; F48-F59 HydrophobicContact CB-CE2 3.8Å; F48-F59 HydrophobicContact CB-CG 3.82Å; F48-F59 HydrophobicContact CB-CZ 4.41Å; F48-F59 HydrophobicContact CD1-CB 4.05Å; F48-F59 AromaticContact CD1-CD1 3.63Å; F48-F59 HydrophobicContact CD1-CD1 3.63Å; F48-F59 HydrophobicContact CD1-CD2 4.2Å; F48-F59 HydrophobicContact CD1-CE1 4.06Å; F48-F59 AromaticContact CD1-CG 3.69Å; F48-F59 HydrophobicContact CD1-CG 3.69Å; F48-F59 HydrophobicContact CD1-CZ 4.49Å; F48-F59 HydrophobicContact CE1-CD1 4.37Å; F48-F59 HydrophobicContact CG-CB 4.22Å; F48-F59 HydrophobicContact CG-CD1 4.4Å; F48-F59 HydrophobicContact CG-CD2 4.2Å; F48-F59 HydrophobicContact CG-CG 4.02Å; P50-F59 HydrophobicContact CB-CE2 3.95Å; E57-F59 PolarHBondContact O-N 3.18Å; F59-Q61 PolarHBondContact O-N 3.42Å; F59-Q62 VanDerWaalsContact CA-OE1 3.3Å; F59-Q62 HydrophobicContact CB-CB 4.33Å; F59-Q62 WeakPolarHBondContact O-CA 3.29Å; F59-Q62 WeakPolarHBondContact O-CB 3.36Å; F59-Q62 PolarHBondContact O-N 3.23Å; F59-V63 WeakPolarHBondContact O-CG2 3.38Å; F59-V63 PolarHBondContact O-N 3.33Å; F59-S75 WeakPolarHBondContact CD2-OG 3.37Å; F59-F106 HydrophobicContact CD1-CE1 4.35Å; F59-F106 HydrophobicContact CE1-CD1 4.08Å; F59-F106 AromaticContact CE1-CE1 3.66Å; F59-F106 HydrophobicContact CE1-CE1 3.66Å; F59-F106 HydrophobicContact CZ-CD1 4.41Å; F59-F106 HydrophobicContact CZ-CE1 4.27Å; F59-A108 HydrophobicContact CE1-CB 4.38Å; F59-A108 HydrophobicContact CZ-CB 4.15Å; F59-Y258 AromaticContact CD1-CD2 3.8Å; F59-Y258 HydrophobicContact CD1-CD2 3.8Å; F59-Y258 HydrophobicContact CD1-CE2 4.3Å; F59-Y258 HydrophobicContact CD1-CG 4.11Å; F59-Y258 HydrophobicContact CE1-CD1 4.16Å; F59-Y258 AromaticContact CE1-CD2 3.75Å; F59-Y258 HydrophobicContact CE1-CD2 3.75Å; F59-Y258 HydrophobicContact CE1-CE1 4.36Å; F59-Y258 AromaticContact CE1-CE2 3.98Å; F59-Y258 HydrophobicContact CE1-CE2 3.98Å; F59-Y258 AromaticContact CE1-CG 3.85Å; F59-Y258 HydrophobicContact CE1-CG 3.85Å
60F98.1Very high97Very high0 Ų017.7 Ų17.70%011%0.106CC..Hα-helixtrans-56-37.1-175.878.6-82.5000113I4 D9 Y10 F13 E57 Q62 V63 Q64 F183 L259I4-F60 HydrophobicContact CG2-CE1 3.53Å; I4-F60 HydrophobicContact CG2-CZ 3.56Å; D9-F60 HydrophobicContact CB-CE2 4.29Å; Y10-F60 HydrophobicContact CD2-CB 4.34Å; Y10-F60 AromaticContact CD2-CD1 3.97Å; Y10-F60 HydrophobicContact CD2-CD1 3.97Å; Y10-F60 HydrophobicContact CD2-CD2 4.09Å; Y10-F60 HydrophobicContact CD2-CE1 4.28Å; Y10-F60 HydrophobicContact CD2-CE2 4.39Å; Y10-F60 AromaticContact CD2-CG 3.86Å; Y10-F60 HydrophobicContact CD2-CG 3.86Å; Y10-F60 HydrophobicContact CD2-CZ 4.48Å; F13-F60 HydrophobicContact CB-CB 4.21Å; F13-F60 HydrophobicContact CB-CD2 4.33Å; F13-F60 HydrophobicContact CD1-CB 3.47Å; F13-F60 VanDerWaalsContact CD1-CB 3.47Å; F13-F60 HydrophobicContact CD1-CG 4.46Å; F13-F60 HydrophobicContact CD2-CB 4.05Å; F13-F60 HydrophobicContact CE1-CB 3.71Å; F13-F60 HydrophobicContact CE2-CB 4.26Å; F13-F60 HydrophobicContact CG-CB 3.63Å; F13-F60 HydrophobicContact CZ-CB 4.08Å; E57-F60 WeakPolarHBondContact O-CB 3.21Å; E57-F60 WeakPolarHBondContact O-CD1 3.4Å; E57-F60 PolarHBondContact O-N 3.23Å; F60-Q62 VanDerWaalsContact C-N 3.35Å; F60-Q62 PolarHBondContact O-N 2.94Å; F60-V63 PolarHBondContact O-N 3.39Å; F60-Q64 WeakPolarHBondContact O-CB 3.49Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 2.87Å; F60-F183 HydrophobicContact CD1-CE1 4.42Å; F60-F183 HydrophobicContact CD1-CZ 4.31Å; F60-F183 HydrophobicContact CE1-CE1 4.34Å; F60-F183 HydrophobicContact CE1-CZ 4.28Å; F60-L259 HydrophobicContact CD1-CD2 4.31Å; F60-L259 HydrophobicContact CE1-CD2 3.86Å
61Q97.9Very high97Very high38 Ų3817.7 Ų17.718%0.17811%0.106CC..Hα-helixtrans-67-36177.5-64-178.7-1500111.9F59 A65 L259 S262 N266F59-Q61 PolarHBondContact O-N 3.42Å; Q61-A65 VanDerWaalsContact O-CB 3.31Å; Q61-A65 WeakPolarHBondContact O-CB 3.2Å; Q61-A65 PolarHBondContact O-N 3.17Å; Q61-A65 VanDerWaalsContact O-N 3.11Å; Q61-L259 PolarHBondContact OE1-O 3.26Å; Q61-S262 PolarHBondContact OE1-OG 2.98Å; Q61-N266 PolarHBondContact O-ND2 3.47Å
62Q98.4Very high97Very high0 Ų017.8 Ų17.80%011%0.106CC..Hα-helixtrans-67.7-47.2172.8-70.65760.100110F48 F59 F60 Q64 A65 L66 Y258 N266 I269F48-Q62 HydrophobicContact CD1-CG 4.41Å; F48-Q62 HydrophobicContact CE1-CB 3.81Å; F48-Q62 HydrophobicContact CE1-CG 3.61Å; F48-Q62 HydrophobicContact CE2-CB 4.47Å; F48-Q62 HydrophobicContact CZ-CB 3.78Å; F48-Q62 HydrophobicContact CZ-CG 3.99Å; F59-Q62 VanDerWaalsContact CA-OE1 3.3Å; F59-Q62 HydrophobicContact CB-CB 4.33Å; F59-Q62 WeakPolarHBondContact O-CA 3.29Å; F59-Q62 WeakPolarHBondContact O-CB 3.36Å; F59-Q62 PolarHBondContact O-N 3.23Å; F60-Q62 VanDerWaalsContact C-N 3.35Å; F60-Q62 PolarHBondContact O-N 2.94Å; Q62-Q64 VanDerWaalsContact C-N 3.34Å; Q62-Q64 PolarHBondContact O-N 2.85Å; Q62-A65 PolarHBondContact O-N 3.25Å; Q62-L66 HydrophobicContact CB-CD1 4.23Å; Q62-L66 WeakPolarHBondContact O-CB 3.37Å; Q62-L66 VanDerWaalsContact O-CG 3.24Å; Q62-L66 WeakPolarHBondContact O-CG 3.27Å; Q62-L66 PolarHBondContact O-N 3.11Å; Q62-Y258 PolarHBondContact NE2-O 2.94Å; Q62-Y258 PolarHBondContact OE1-O 3.23Å; Q62-N266 VanDerWaalsContact CG-OD1 3.23Å; Q62-N266 WeakPolarHBondContact CG-OD1 3.39Å; Q62-N266 PolarHBondContact NE2-OD1 3.45Å; Q62-I269 HydrophobicContact CG-CD1 4.06Å
63V98.4Very high97.2Very high0 Ų017.1 Ų17.10%010%0.102CC..Hα-helixtrans-58-47.7179.7178.10000110.6F13 A37 F59 F60 T67 V73F13-V63 HydrophobicContact CD2-CB 4.49Å; F13-V63 HydrophobicContact CD2-CG1 4.35Å; F13-V63 HydrophobicContact CE2-CB 3.95Å; F13-V63 HydrophobicContact CE2-CG1 3.78Å; F13-V63 HydrophobicContact CE2-CG2 4.31Å; A37-V63 HydrophobicContact CB-CG1 3.63Å; F59-V63 WeakPolarHBondContact O-CG2 3.38Å; F59-V63 PolarHBondContact O-N 3.33Å; F60-V63 PolarHBondContact O-N 3.39Å; V63-T67 WeakPolarHBondContact O-CB 3.23Å; V63-T67 PolarHBondContact O-N 2.98Å; V63-T67 VanDerWaalsContact O-N 3.09Å; V63-T67 PolarHBondContact O-OG1 2.99Å; V63-V73 HydrophobicContact CB-CG1 4.47Å; V63-V73 HydrophobicContact CG2-CG1 3.89Å
64Q96.8Very high97.4Very high49 Ų4916.9 Ų16.923%0.22910%0.1CC..Hα-helixtrans-64-52.7-179.8-74.1178.4-45.700112.4D9 F13 F60 Q62 G68D9-Q64 PolarHBondContact O-NE2 3.5Å; F13-Q64 HydrophobicContact CB-CG 4.22Å; F13-Q64 HydrophobicContact CD2-CG 4.32Å; F60-Q64 WeakPolarHBondContact O-CB 3.49Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 2.87Å; Q62-Q64 VanDerWaalsContact C-N 3.34Å; Q62-Q64 PolarHBondContact O-N 2.85Å; Q64-G68 PolarHBondContact O-N 2.84Å
65A97.7Very high97.6Very high24 Ų2416.9 Ų16.920%0.19810%0.1CC..Hα-helixtrans-64.9-51.6-17600000112Q61 Q62 T67 G68 W69 N266Q61-A65 VanDerWaalsContact O-CB 3.31Å; Q61-A65 WeakPolarHBondContact O-CB 3.2Å; Q61-A65 PolarHBondContact O-N 3.17Å; Q61-A65 VanDerWaalsContact O-N 3.11Å; Q62-A65 PolarHBondContact O-N 3.25Å; A65-T67 PolarHBondContact O-N 3.4Å; A65-G68 PolarHBondContact O-N 2.75Å; A65-G68 VanDerWaalsContact O-N 3.16Å; A65-W69 HydrophobicContact CB-CH2 4.32Å; A65-W69 HydrophobicContact CB-CZ2 4.19Å; A65-W69 VanDerWaalsContact O-CG 3.29Å; A65-W69 PolarHBondContact O-N 2.99Å; A65-W69 VanDerWaalsContact O-N 3.08Å; A65-N266 WeakPolarHBondContact CB-ND2 3.46Å
66L98.3Very high97.7Very high0 Ų016.7 Ų16.70%010%0.099CC..Hα-helixtrans-66.5-38.7-176.5-64.8172.7000111.5F48 Q62 G68 W69 G70 Y71 V73 I269F48-L66 HydrophobicContact CE2-CD1 4.04Å; F48-L66 HydrophobicContact CZ-CD1 3.73Å; Q62-L66 HydrophobicContact CB-CD1 4.23Å; Q62-L66 WeakPolarHBondContact O-CB 3.37Å; Q62-L66 VanDerWaalsContact O-CG 3.24Å; Q62-L66 WeakPolarHBondContact O-CG 3.27Å; Q62-L66 PolarHBondContact O-N 3.11Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.48Å; L66-W69 HydrophobicContact CD2-CE3 3.7Å; L66-W69 HydrophobicContact CD2-CZ3 3.72Å; L66-W69 CarbonylContact O-C 3.54Å; L66-W69 PolarHBondContact O-N 3.26Å; L66-W69 VanDerWaalsContact O-N 3.1Å; L66-G70 PolarHBondContact O-N 3.08Å; L66-Y71 HydrophobicContact CB-CD2 4.33Å; L66-Y71 HydrophobicContact CB-CG 4.49Å; L66-Y71 HydrophobicContact CD2-CD2 4.24Å; L66-Y71 WeakPolarHBondContact O-CB 3.37Å; L66-Y71 WeakPolarHBondContact O-CD2 3.5Å; L66-Y71 PolarHBondContact O-N 3.33Å; L66-V73 HydrophobicContact CB-CG2 3.56Å; L66-V73 HydrophobicContact CD1-CG2 4.04Å; L66-V73 HydrophobicContact CG-CG2 4.47Å; L66-I269 HydrophobicContact CD1-CD1 4.45Å; L66-I269 HydrophobicContact CD1-CG2 3.9Å; L66-I269 HydrophobicContact CD2-CB 4.5Å; L66-I269 HydrophobicContact CD2-CG2 3.94Å
67T97.1Very high97.7Very high42 Ų4218 Ų1826%0.25811%0.105SC..Hα-helixtrans-63.9-39.9174.1-58.60000111.2A37 V63 A65 W69 G70A37-T67 HydrophobicContact CB-CG2 4.2Å; A37-T67 WeakPolarHBondContact CB-OG1 3.3Å; V63-T67 WeakPolarHBondContact O-CB 3.23Å; V63-T67 PolarHBondContact O-N 2.98Å; V63-T67 VanDerWaalsContact O-N 3.09Å; V63-T67 PolarHBondContact O-OG1 2.99Å; A65-T67 PolarHBondContact O-N 3.4Å; T67-W69 PolarHBondContact O-N 3.03Å; T67-G70 PolarHBondContact O-N 3.3Å
68G95.7Very high97.7Very high60 Ų6016.8 Ų16.862%0.61910%0.099SC*.Hα-helixtrans-61.1-25.7173.400000113.5Q64 A65 L66 G70Q64-G68 PolarHBondContact O-N 2.84Å; A65-G68 PolarHBondContact O-N 2.75Å; A65-G68 VanDerWaalsContact O-N 3.16Å; L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.48Å; G68-G70 VanDerWaalsContact C-N 3.34Å
69W96.7Very high97.7Very high93 Ų9317.1 Ų17.135%0.35210%0.101SC..THydrogen-bonded Turntrans-89.85.2173.3-54.3-24.5000113.7A65 L66 T67 Y71 N266 Q270 I284A65-W69 HydrophobicContact CB-CH2 4.32Å; A65-W69 HydrophobicContact CB-CZ2 4.19Å; A65-W69 VanDerWaalsContact O-CG 3.29Å; A65-W69 PolarHBondContact O-N 2.99Å; A65-W69 VanDerWaalsContact O-N 3.08Å; L66-W69 HydrophobicContact CD2-CE3 3.7Å; L66-W69 HydrophobicContact CD2-CZ3 3.72Å; L66-W69 CarbonylContact O-C 3.54Å; L66-W69 PolarHBondContact O-N 3.26Å; L66-W69 VanDerWaalsContact O-N 3.1Å; T67-W69 PolarHBondContact O-N 3.03Å; W69-Y71 HydrophobicContact CB-CD2 3.92Å; W69-Y71 HydrophobicContact CB-CE2 4.02Å; W69-Y71 HydrophobicContact CE3-CE2 4.44Å; W69-N266 HydrophobicContact CH2-CB 3.69Å; W69-N266 HydrophobicContact CZ3-CB 3.95Å; W69-Q270 HydrophobicContact CZ3-CB 4.27Å; W69-I284 WeakPolarHBondContact O-CD1 3.47Å
70G97.4Very high97.6Very high8 Ų818.7 Ų18.78%0.08211%0.111CC..THydrogen-bonded Turntrans89.48.1176.200000115.4L66 T67 G68 D285L66-G70 PolarHBondContact O-N 3.08Å; T67-G70 PolarHBondContact O-N 3.3Å; G68-G70 VanDerWaalsContact C-N 3.34Å; G70-D285 PolarHBondContact O-N 3.41Å
71Y98.4Very high97.6Very high0 Ų018.7 Ų18.70%011%0.111CC..BIsolated β-bridgetrans-77.4147.5174.6-66.6-91.3000111.7L66 W69 Q270 L273 H277 A283 I284L66-Y71 HydrophobicContact CB-CD2 4.33Å; L66-Y71 HydrophobicContact CB-CG 4.49Å; L66-Y71 HydrophobicContact CD2-CD2 4.24Å; L66-Y71 WeakPolarHBondContact O-CB 3.37Å; L66-Y71 WeakPolarHBondContact O-CD2 3.5Å; L66-Y71 PolarHBondContact O-N 3.33Å; W69-Y71 HydrophobicContact CB-CD2 3.92Å; W69-Y71 HydrophobicContact CB-CE2 4.02Å; W69-Y71 HydrophobicContact CE3-CE2 4.44Å; Y71-Q270 HydrophobicContact CE2-CG 4.42Å; Y71-L273 HydrophobicContact CD1-CD1 3.73Å; Y71-L273 HydrophobicContact CE1-CB 3.86Å; Y71-L273 HydrophobicContact CE1-CD1 3.62Å; Y71-L273 HydrophobicContact CE1-CG 4.41Å; Y71-H277 AromaticContact CE1-NE2 3.84Å; Y71-H277 AromaticContact CZ-NE2 3.74Å; Y71-H277 PolarHBondContact OH-CE1 3.29Å; Y71-H277 PolarHBondContact OH-NE2 3.42Å; Y71-A283 CarbonylContact C-O 3.53Å; Y71-A283 VanDerWaalsContact CA-O 3.23Å; Y71-A283 WeakPolarHBondContact CA-O 3.43Å; Y71-A283 HydrophobicContact CD1-CB 3.94Å; Y71-I284 HydrophobicContact CD1-CB 3.71Å; Y71-I284 HydrophobicContact CD1-CG1 4.32Å; Y71-I284 HydrophobicContact CD2-CD1 4.31Å; Y71-I284 HydrophobicContact CD2-CG1 4.33Å; Y71-I284 HydrophobicContact CE1-CB 3.63Å; Y71-I284 HydrophobicContact CE1-CD1 4.3Å; Y71-I284 HydrophobicContact CE1-CG1 4.27Å; Y71-I284 HydrophobicContact CE1-CG2 4.35Å; Y71-I284 HydrophobicContact CE2-CD1 3.83Å; Y71-I284 HydrophobicContact CE2-CG1 4.28Å; Y71-I284 HydrophobicContact CG-CB 4.19Å; Y71-I284 HydrophobicContact CG-CG1 4.34Å
72R98.4Very high97.5Very high9 Ų921.3 Ų21.33%0.03412%0.119CC..  trans-88121.3162.6-173.5-177.1177.1-169.5-1.8109.3D36 A37 P39 I42 P45 I46 A283D36-R72 IonicContact OD1-CZ 3.82Å; D36-R72 IonicContact OD1-NE 3.55Å; D36-R72 PolarHBondContact OD1-NE 3.32Å; D36-R72 VanDerWaalsContact OD1-NE 3.12Å; D36-R72 IonicContact OD1-NH2 3.97Å; D36-R72 IonicContact OD2-CZ 3.8Å; D36-R72 IonicContact OD2-NE 3.06Å; D36-R72 IonicContact OD2-NH2 3.57Å; D36-R72 PolarHBondContact OD2-NH2 3.27Å; D36-R72 VanDerWaalsContact OD2-NH2 3.08Å; A37-R72 WeakPolarHBondContact O-CA 3.4Å; A37-R72 WeakPolarHBondContact O-CG 3.18Å; P39-R72 WeakPolarHBondContact O-CD 3.46Å; I42-R72 HydrophobicContact CB-CB 3.83Å; I42-R72 HydrophobicContact CD1-CB 3.89Å; I42-R72 HydrophobicContact CG1-CB 4.47Å; I42-R72 HydrophobicContact CG2-CB 3.88Å; I42-R72 WeakPolarHBondContact O-CD 3.49Å; I42-R72 PolarHBondContact O-NH1 2.71Å; P45-R72 HydrophobicContact CB-CB 4.1Å; P45-R72 HydrophobicContact CB-CG 3.9Å; P45-R72 WeakPolarHBondContact CB-O 3.35Å; I46-R72 PolarHBondContact N-O 2.98Å; I46-R72 VanDerWaalsContact N-O 3.17Å; R72-A283 PolarHBondContact N-O 3.1Å
73V98.6Very high97.3Very high0 Ų024.2 Ų24.20%014%0.135CC..EExtended strand (participates in β ladder)trans-122.7131.9-175.5-1760000110A37 I46 F48 V63 L66A37-V73 PolarHBondContact N-O 2.97Å; A37-V73 PolarHBondContact O-N 3.25Å; I46-V73 HydrophobicContact CG2-CB 4.39Å; I46-V73 HydrophobicContact CG2-CG1 4.39Å; I46-V73 HydrophobicContact CG2-CG2 3.91Å; I46-V73 WeakPolarHBondContact O-CA 3.09Å; F48-V73 HydrophobicContact CD2-CG1 3.65Å; F48-V73 HydrophobicContact CE2-CG1 3.49Å; F48-V73 VanDerWaalsContact CE2-CG1 3.49Å; V63-V73 HydrophobicContact CB-CG1 4.47Å; V63-V73 HydrophobicContact CG2-CG1 3.89Å; L66-V73 HydrophobicContact CB-CG2 3.56Å; L66-V73 HydrophobicContact CD1-CG2 4.04Å; L66-V73 HydrophobicContact CG-CG2 4.47Å
74I98.8Very high97.2Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-119.6120.3172.4-53.8-179.7000108.7L34 Y35 D36 P45 I46 I47 F48 L76 L98 L100L34-I74 HydrophobicContact CB-CG2 4.33Å; L34-I74 HydrophobicContact CD1-CG2 4.08Å; Y35-I74 CarbonylContact O-C 3.54Å; Y35-I74 VanDerWaalsContact O-CA 3.25Å; Y35-I74 WeakPolarHBondContact O-CA 3.23Å; D36-I74 HydrophobicContact CB-CG1 4.16Å; P45-I74 HydrophobicContact CB-CD1 4.25Å; P45-I74 HydrophobicContact CB-CG1 4.28Å; P45-I74 HydrophobicContact CG-CD1 3.84Å; P45-I74 HydrophobicContact CG-CG1 4.4Å; I46-I74 PolarHBondContact O-N 2.95Å; I47-I74 CarbonylContact C-O 2.87Å; I47-I74 WeakPolarHBondContact CA-O 3.39Å; I47-I74 HydrophobicContact CD1-CD1 4.34Å; I47-I74 HydrophobicContact CG1-CB 4.1Å; I47-I74 HydrophobicContact CG1-CD1 4.47Å; F48-I74 PolarHBondContact N-O 3.37Å; I74-L76 HydrophobicContact CG2-CD2 3.58Å; I74-L76 HydrophobicContact CG2-CG 4.22Å; I74-L98 HydrophobicContact CD1-CD1 4.24Å; I74-L100 HydrophobicContact CD1-CD1 3.84Å
75S98.7Very high97.2Very high0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans-105.9126.1173.5-174.40000110L34 Y35 A56 F59L34-S75 CarbonylContact C-O 3.54Å; L34-S75 WeakPolarHBondContact CA-O 3.37Å; L34-S75 WeakPolarHBondContact CB-O 3.46Å; Y35-S75 PolarHBondContact N-O 2.96Å; Y35-S75 PolarHBondContact O-N 2.67Å; A56-S75 WeakPolarHBondContact O-CB 3.5Å; A56-S75 PolarHBondContact O-OG 2.73Å; F59-S75 WeakPolarHBondContact CD2-OG 3.37Å
76L97.9Very high97.1Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-109.4152.2-171.6-60.2-177000113.1W32 S33 L34 I47 F48 L49 P50 A56 I74 F91 L94W32-L76 HydrophobicContact CE3-CD1 4.38Å; W32-L76 HydrophobicContact CZ3-CD1 4.04Å; S33-L76 CarbonylContact O-C 3.54Å; L34-L76 HydrophobicContact CB-CD2 3.4Å; L34-L76 VanDerWaalsContact CB-CD2 3.4Å; L34-L76 HydrophobicContact CD2-CD2 3.91Å; L34-L76 HydrophobicContact CG-CD2 4.24Å; I47-L76 HydrophobicContact CG2-CD1 3.32Å; I47-L76 HydrophobicContact CG2-CG 3.65Å; F48-L76 PolarHBondContact O-N 3.25Å; L49-L76 HydrophobicContact CD2-CB 4.25Å; L49-L76 HydrophobicContact CD2-CD1 3.92Å; P50-L76 WeakPolarHBondContact CD-O 3.48Å; P50-L76 VanDerWaalsContact CG-O 3.32Å; P50-L76 WeakPolarHBondContact CG-O 3.25Å; A56-L76 WeakPolarHBondContact CA-O 3.2Å; I74-L76 HydrophobicContact CG2-CD2 3.58Å; I74-L76 HydrophobicContact CG2-CG 4.22Å; L76-F91 HydrophobicContact CD1-CD2 4.19Å; L76-F91 HydrophobicContact CD1-CE2 3.5Å; L76-F91 VanDerWaalsContact CD1-CE2 3.5Å; L76-F91 HydrophobicContact CD1-CZ 4.31Å; L76-L94 HydrophobicContact CD1-CD2 3.96Å; L76-L94 HydrophobicContact CD2-CD2 4.04Å
77Q96.6Very high97.1Very high28 Ų2829.3 Ų29.313%0.13116%0.158CC..EExtended strand (participates in β ladder)trans-124.8115.6154.7167.3170.1-8.200106.3S33 T55 A56 E195S33-Q77 PolarHBondContact N-O 3.31Å; S33-Q77 PolarHBondContact O-N 3.19Å; T55-Q77 VanDerWaalsContact CB-OE1 3.24Å; A56-Q77 HydrophobicContact CB-CB 4.09Å; Q77-E195 PolarHBondContact NE2-OE1 2.74Å
78Y95.9Very high97.2Very high1 Ų127.5 Ų27.50%0.00415%0.147CC..  trans-79.7146.4-179.746.3-91.5000110.8W32 L49 P50 F87 L110 L114 R199W32-Y78 VanDerWaalsContact CZ3-CB 3.4Å; L49-Y78 HydrophobicContact CD2-CD1 4.46Å; P50-Y78 HydrophobicContact CG-CD1 4.25Å; P50-Y78 HydrophobicContact CG-CE1 3.77Å; P50-Y78 PolarHBondContact O-OH 3.18Å; Y78-F87 HydrophobicContact CD1-CE2 4.24Å; Y78-F87 HydrophobicContact CD2-CE2 4.42Å; Y78-F87 HydrophobicContact CG-CD2 4.45Å; Y78-F87 AromaticContact CG-CE2 3.97Å; Y78-F87 HydrophobicContact CG-CE2 3.97Å; Y78-L110 WeakPolarHBondContact OH-CD2 3.33Å; Y78-L114 HydrophobicContact CE1-CD1 4.09Å; Y78-L114 HydrophobicContact CE2-CD1 4.1Å; Y78-R199 HydrophobicContact CE2-CG 3.7Å
79P97Very high97.3Very high7 Ų726.5 Ų26.55%0.04513%0.127CC..  trans-70.9-178.7177.427.3-32000112.3K30 W32 Y81K30-P79 HydrophobicContact CB-CB 3.91Å; K30-P79 HydrophobicContact CB-CG 4.02Å; K30-P79 HydrophobicContact CG-CB 4.34Å; W32-P79 VanDerWaalsContact CD2-CD 3.42Å; W32-P79 HydrophobicContact CD2-CG 4.21Å; W32-P79 HydrophobicContact CG-CG 4.27Å; P79-Y81 HydrophobicContact CG-CD2 4.22Å; P79-Y81 HydrophobicContact CG-CE1 4.43Å; P79-Y81 HydrophobicContact CG-CE2 3.46Å; P79-Y81 VanDerWaalsContact CG-CE2 3.46Å; P79-Y81 WeakPolarHBondContact CG-OH 3.5Å; P79-Y81 WeakPolarHBondContact O-CD2 3.24Å; P79-Y81 PolarHBondContact O-N 3.37Å
80V97.3Very high97.4Very high33 Ų3322 Ų2220%0.211%0.111CC..  trans-69.2102178.3-176.30000109.4W82 E195V80-W82 HydrophobicContact CG1-CZ2 3.87Å; V80-E195 HydrophobicContact CG2-CG 3.93Å
81Y97Very high97.5Very high0 Ų021.7 Ų21.70%011%0.107CC..  trans-114.6136.9167.6-63.1-65.3000110D25 K30 W32 P79 E86 F87 G90 S198D25-Y81 PolarHBondContact OD2-OH 3.41Å; K30-Y81 HydrophobicContact CD-CD1 4.38Å; K30-Y81 HydrophobicContact CD-CE1 3.9Å; W32-Y81 HydrophobicContact CH2-CE2 4.11Å; W32-Y81 AromaticContact CZ2-CE2 3.53Å; W32-Y81 HydrophobicContact CZ2-CE2 3.53Å; W32-Y81 AromaticContact CZ2-CZ 3.86Å; W32-Y81 VanDerWaalsContact CZ2-OH 3.3Å; W32-Y81 WeakPolarHBondContact CZ2-OH 3.48Å; W32-Y81 PolarHBondContact NE1-OH 2.96Å; P79-Y81 HydrophobicContact CG-CD2 4.22Å; P79-Y81 HydrophobicContact CG-CE1 4.43Å; P79-Y81 HydrophobicContact CG-CE2 3.46Å; P79-Y81 VanDerWaalsContact CG-CE2 3.46Å; P79-Y81 WeakPolarHBondContact CG-OH 3.5Å; P79-Y81 WeakPolarHBondContact O-CD2 3.24Å; P79-Y81 PolarHBondContact O-N 3.37Å; Y81-E86 VanDerWaalsContact CA-OE2 3.3Å; Y81-E86 WeakPolarHBondContact CA-OE2 3.41Å; Y81-E86 HydrophobicContact CD1-CB 4.05Å; Y81-E86 HydrophobicContact CD1-CG 3.52Å; Y81-E86 HydrophobicContact CE1-CG 4.1Å; Y81-F87 HydrophobicContact CD2-CB 4Å; Y81-F87 AromaticContact CD2-CD2 3.78Å; Y81-F87 HydrophobicContact CD2-CD2 3.78Å; Y81-F87 HydrophobicContact CD2-CG 4.37Å; Y81-F87 HydrophobicContact CE2-CD2 4.17Å; Y81-F87 HydrophobicContact CG-CB 4.1Å; Y81-G90 WeakPolarHBondContact OH-CA 3.44Å; Y81-S198 VanDerWaalsContact O-CB 3.22Å; Y81-S198 WeakPolarHBondContact O-CB 3.35Å; Y81-S198 PolarHBondContact O-OG 2.69Å
82W95.4Very high97.5Very high94 Ų9425.6 Ų25.636%0.35612%0.121SC..SBendtrans-100.3-15.2-175.1-67.3101.4000113.6V80 E86 W153 A197 T201V80-W82 HydrophobicContact CG1-CZ2 3.87Å; W82-E86 PolarHBondContact N-OE2 2.83Å; W82-W153 HydrophobicContact CH2-CB 3.6Å; W82-W153 HydrophobicContact CZ2-CB 4.45Å; W82-W153 HydrophobicContact CZ3-CB 3.86Å; W82-A197 HydrophobicContact CH2-CB 3.7Å; W82-A197 HydrophobicContact CZ3-CB 4.01Å; W82-T201 HydrophobicContact CE3-CG2 4.49Å
83D94.9Very high97.5Very high61 Ų6127.8 Ų27.833%0.32613%0.131SC..SBendtrans-140.9164.117474.272.8000112.5L85 E86 F87D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 2.88Å; D83-L85 WeakPolarHBondContact OD1-CA 3.46Å; D83-L85 VanDerWaalsContact OD1-CB 3.29Å; D83-L85 WeakPolarHBondContact OD1-CB 3.21Å; D83-L85 PolarHBondContact OD1-N 2.88Å; D83-E86 PolarHBondContact O-N 3.48Å; D83-E86 PolarHBondContact OD1-N 3.17Å; D83-F87 PolarHBondContact O-N 3.16Å; D83-F87 VanDerWaalsContact O-N 3.11Å
84L96.4Very high97.5Very high20 Ų2027.8 Ų27.811%0.10513%0.131CC..Hα-helixtrans-68.7-31.4-175.1-67.8170.1000113.2C88 F113 L114 K117 L202 S207L84-C88 WeakPolarHBondContact O-CB 3.32Å; L84-C88 PolarHBondContact O-N 2.97Å; L84-C88 PolarHBondContact O-SG 3.37Å; L84-F113 HydrophobicContact CD1-CE1 4.12Å; L84-F113 HydrophobicContact CD1-CZ 4.44Å; L84-F113 HydrophobicContact CD2-CE1 4Å; L84-L114 HydrophobicContact CD2-CD2 3.51Å; L84-K117 HydrophobicContact CD1-CG 4.24Å; L84-K117 HydrophobicContact CD2-CG 4.28Å; L84-L202 HydrophobicContact CD2-CD2 4.14Å; L84-L202 HydrophobicContact CG-CD2 4.36Å; L84-S207 VanDerWaalsContact CD1-CB 3.44Å; L84-S207 WeakPolarHBondContact CD1-OG 3.34Å
85L96.8Very high97.5Very high110 Ų11027.8 Ų27.858%0.57613%0.131SC*.Hα-helixtrans-70.4-43.7179.8178.264000109.8D83 C88 D89 Y121D83-L85 VanDerWaalsContact C-N 3.34Å; D83-L85 PolarHBondContact O-N 2.88Å; D83-L85 WeakPolarHBondContact OD1-CA 3.46Å; D83-L85 VanDerWaalsContact OD1-CB 3.29Å; D83-L85 WeakPolarHBondContact OD1-CB 3.21Å; D83-L85 PolarHBondContact OD1-N 2.88Å; L85-C88 PolarHBondContact O-N 3.35Å; L85-D89 WeakPolarHBondContact O-CB 3.2Å; L85-D89 PolarHBondContact O-N 3.38Å; L85-Y121 HydrophobicContact CD1-CD2 4.05Å; L85-Y121 HydrophobicContact CD1-CE2 3.44Å; L85-Y121 VanDerWaalsContact CD1-CE2 3.44Å
86E96.8Very high97.5Very high49 Ų4931 Ų3123%0.22915%0.149CC..Hα-helixtrans-59.4-47.9175.2-158.6-169.2-161.600111.3K30 Y81 W82 D83 C88 D89 G90K30-E86 WeakPolarHBondContact CE-OE1 3.42Å; K30-E86 IonicContact NZ-OE1 3.62Å; K30-E86 PolarHBondContact NZ-OE1 2.83Å; Y81-E86 VanDerWaalsContact CA-OE2 3.3Å; Y81-E86 WeakPolarHBondContact CA-OE2 3.41Å; Y81-E86 HydrophobicContact CD1-CB 4.05Å; Y81-E86 HydrophobicContact CD1-CG 3.52Å; Y81-E86 HydrophobicContact CE1-CG 4.1Å; W82-E86 PolarHBondContact N-OE2 2.83Å; D83-E86 PolarHBondContact O-N 3.48Å; D83-E86 PolarHBondContact OD1-N 3.17Å; E86-C88 VanDerWaalsContact C-N 3.34Å; E86-C88 PolarHBondContact O-N 3.04Å; E86-D89 PolarHBondContact O-N 3.43Å; E86-G90 PolarHBondContact O-N 2.86Å
87F98.3Very high97.5Very high0 Ų036.3 Ų36.30%017%0.173CC..Hα-helixtrans-57-47.2173.4170.1-91.4000111.8W32 L49 Y78 Y81 D83 F91 L114W32-F87 HydrophobicContact CH2-CE2 4.04Å; L49-F87 HydrophobicContact CD1-CZ 4.3Å; Y78-F87 HydrophobicContact CD1-CE2 4.24Å; Y78-F87 HydrophobicContact CD2-CE2 4.42Å; Y78-F87 HydrophobicContact CG-CD2 4.45Å; Y78-F87 AromaticContact CG-CE2 3.97Å; Y78-F87 HydrophobicContact CG-CE2 3.97Å; Y81-F87 HydrophobicContact CD2-CB 4Å; Y81-F87 AromaticContact CD2-CD2 3.78Å; Y81-F87 HydrophobicContact CD2-CD2 3.78Å; Y81-F87 HydrophobicContact CD2-CG 4.37Å; Y81-F87 HydrophobicContact CE2-CD2 4.17Å; Y81-F87 HydrophobicContact CG-CB 4.1Å; D83-F87 PolarHBondContact O-N 3.16Å; D83-F87 VanDerWaalsContact O-N 3.11Å; F87-F91 HydrophobicContact CE1-CB 4.44Å; F87-F91 HydrophobicContact CZ-CB 4.41Å; F87-F91 HydrophobicContact CZ-CG 4.48Å; F87-F91 VanDerWaalsContact O-CB 3.26Å; F87-F91 WeakPolarHBondContact O-CB 3.09Å; F87-F91 PolarHBondContact O-N 2.79Å; F87-L114 HydrophobicContact CD1-CB 4.24Å; F87-L114 HydrophobicContact CD1-CD2 3.91Å; F87-L114 HydrophobicContact CD1-CG 4.47Å; F87-L114 HydrophobicContact CD2-CD1 4.09Å; F87-L114 HydrophobicContact CD2-CD2 4.48Å; F87-L114 HydrophobicContact CE1-CB 3.63Å; F87-L114 HydrophobicContact CE1-CD1 4.39Å; F87-L114 HydrophobicContact CE1-CD2 4.19Å; F87-L114 HydrophobicContact CE1-CG 4.27Å; F87-L114 HydrophobicContact CE2-CB 4.42Å; F87-L114 HydrophobicContact CE2-CD1 3.8Å; F87-L114 HydrophobicContact CG-CD2 4.09Å; F87-L114 HydrophobicContact CZ-CB 3.74Å; F87-L114 HydrophobicContact CZ-CD1 3.97Å; F87-L114 HydrophobicContact CZ-CG 4.3Å
88C98.4Very high97.5Very high4 Ų436.3 Ų36.33%0.02717%0.174CC..Hα-helixtrans-65.9-40.5-177.8-71.90000112.3L84 L85 E86 R92 F118 Y121L84-C88 WeakPolarHBondContact O-CB 3.32Å; L84-C88 PolarHBondContact O-N 2.97Å; L84-C88 PolarHBondContact O-SG 3.37Å; L85-C88 PolarHBondContact O-N 3.35Å; E86-C88 VanDerWaalsContact C-N 3.34Å; E86-C88 PolarHBondContact O-N 3.04Å; C88-R92 WeakPolarHBondContact O-CB 3.46Å; C88-R92 PolarHBondContact O-N 2.79Å; C88-F118 HydrophobicContact CB-CD2 4.04Å; C88-F118 WeakPolarHBondContact O-CE2 3.24Å; C88-Y121 HydrophobicContact CB-CD1 3.6Å; C88-Y121 HydrophobicContact CB-CD2 4.05Å; C88-Y121 HydrophobicContact CB-CE1 4.01Å; C88-Y121 HydrophobicContact CB-CE2 4.43Å; C88-Y121 HydrophobicContact CB-CG 3.62Å
89D98.1Very high97.6Very high39 Ų3942.8 Ų42.821%0.20920%0.204CC..Hα-helixtrans-66.5-47.3177.3-17360.6000111.5L85 E86 F91 R92 K93L85-D89 WeakPolarHBondContact O-CB 3.2Å; L85-D89 PolarHBondContact O-N 3.38Å; E86-D89 PolarHBondContact O-N 3.43Å; D89-F91 VanDerWaalsContact C-N 3.32Å; D89-F91 PolarHBondContact O-N 3.27Å; D89-R92 WeakPolarHBondContact O-CB 3.4Å; D89-R92 PolarHBondContact O-N 3.3Å; D89-R92 IonicContact OD1-CZ 3.26Å; D89-R92 IonicContact OD1-NE 2.78Å; D89-R92 IonicContact OD1-NH2 3.63Å; D89-R92 PolarHBondContact OD1-NH2 2.84Å; D89-K93 WeakPolarHBondContact O-CG 3.25Å; D89-K93 PolarHBondContact O-N 2.68Å; D89-K93 WeakPolarHBondContact OD2-CE 3.45Å; D89-K93 IonicContact OD2-NZ 2.8Å; D89-K93 PolarHBondContact OD2-NZ 2.82Å
90G98.3Very high97.6Very high0 Ų042.4 Ų42.40%020%0.202CC..Hα-helixtrans-60.1-40.7175.300000112.7Y81 E86 K93 L94Y81-G90 WeakPolarHBondContact OH-CA 3.44Å; E86-G90 PolarHBondContact O-N 2.86Å; G90-K93 PolarHBondContact O-N 2.75Å; G90-L94 PolarHBondContact O-N 3.02Å
91F98.7Very high97.5Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-68.9-38.7176.9-171.3-135.6000112W32 I47 L76 F87 D89 L94 L95 L105 F118W32-F91 HydrophobicContact CH2-CB 3.85Å; W32-F91 AromaticContact CH2-CD2 3.74Å; W32-F91 HydrophobicContact CH2-CD2 3.74Å; W32-F91 HydrophobicContact CH2-CG 4.15Å; W32-F91 HydrophobicContact CZ2-CB 4.06Å; W32-F91 HydrophobicContact CZ2-CD2 4.4Å; W32-F91 HydrophobicContact CZ3-CD2 4.07Å; I47-F91 HydrophobicContact CD1-CE2 4.49Å; I47-F91 HydrophobicContact CD1-CZ 4.31Å; I47-F91 HydrophobicContact CG2-CE2 4.43Å; I47-F91 HydrophobicContact CG2-CZ 4.25Å; L76-F91 HydrophobicContact CD1-CD2 4.19Å; L76-F91 HydrophobicContact CD1-CE2 3.5Å; L76-F91 VanDerWaalsContact CD1-CE2 3.5Å; L76-F91 HydrophobicContact CD1-CZ 4.31Å; F87-F91 HydrophobicContact CE1-CB 4.44Å; F87-F91 HydrophobicContact CZ-CB 4.41Å; F87-F91 HydrophobicContact CZ-CG 4.48Å; F87-F91 VanDerWaalsContact O-CB 3.26Å; F87-F91 WeakPolarHBondContact O-CB 3.09Å; F87-F91 PolarHBondContact O-N 2.79Å; D89-F91 VanDerWaalsContact C-N 3.32Å; D89-F91 PolarHBondContact O-N 3.27Å; F91-L94 HydrophobicContact CD2-CD2 4.1Å; F91-L94 HydrophobicContact CE2-CD2 4.25Å; F91-L94 WeakPolarHBondContact O-CB 3.41Å; F91-L94 PolarHBondContact O-N 2.95Å; F91-L95 HydrophobicContact CE2-CD2 4Å; F91-L95 HydrophobicContact CE2-CG 4.39Å; F91-L95 HydrophobicContact CZ-CD2 4.06Å; F91-L95 HydrophobicContact CZ-CG 4.43Å; F91-L95 WeakPolarHBondContact O-CG 3.48Å; F91-L95 PolarHBondContact O-N 2.93Å; F91-L105 HydrophobicContact CE1-CD1 4.25Å; F91-L105 HydrophobicContact CE1-CD2 3.94Å; F91-L105 HydrophobicContact CZ-CD2 3.76Å; F91-F118 HydrophobicContact CB-CD2 4.39Å; F91-F118 HydrophobicContact CB-CE2 4.28Å; F91-F118 HydrophobicContact CD1-CB 4.27Å; F91-F118 AromaticContact CD1-CD1 3.51Å; F91-F118 HydrophobicContact CD1-CD1 3.51Å; F91-F118 AromaticContact CD1-CD2 3.7Å; F91-F118 HydrophobicContact CD1-CD2 3.7Å; F91-F118 AromaticContact CD1-CE1 3.63Å; F91-F118 HydrophobicContact CD1-CE1 3.63Å; F91-F118 AromaticContact CD1-CE2 3.8Å; F91-F118 HydrophobicContact CD1-CE2 3.8Å; F91-F118 AromaticContact CD1-CG 3.55Å; F91-F118 HydrophobicContact CD1-CG 3.55Å; F91-F118 AromaticContact CD1-CZ 3.76Å; F91-F118 HydrophobicContact CD1-CZ 3.76Å; F91-F118 AromaticContact CE1-CD1 3.53Å; F91-F118 HydrophobicContact CE1-CD1 3.53Å; F91-F118 AromaticContact CE1-CE1 3.65Å; F91-F118 HydrophobicContact CE1-CE1 3.65Å; F91-F118 HydrophobicContact CE1-CG 4.02Å; F91-F118 HydrophobicContact CE1-CZ 4.21Å; F91-F118 HydrophobicContact CG-CE2 4.42Å
92R98.6Very high97.5Very high82 Ų8249.1 Ų49.131%0.30923%0.234SC..Hα-helixtrans-59.2-47.7172.1-176.2-179.462.379.6-2.2111.5C88 D89 L94 L95 D96 F118C88-R92 WeakPolarHBondContact O-CB 3.46Å; C88-R92 PolarHBondContact O-N 2.79Å; D89-R92 WeakPolarHBondContact O-CB 3.4Å; D89-R92 PolarHBondContact O-N 3.3Å; D89-R92 IonicContact OD1-CZ 3.26Å; D89-R92 IonicContact OD1-NE 2.78Å; D89-R92 IonicContact OD1-NH2 3.63Å; D89-R92 PolarHBondContact OD1-NH2 2.84Å; R92-L94 VanDerWaalsContact C-N 3.29Å; R92-L94 PolarHBondContact O-N 3.32Å; R92-L95 PolarHBondContact O-N 2.93Å; R92-L95 VanDerWaalsContact O-N 3.13Å; R92-D96 IonicContact NH1-OD2 2.77Å; R92-D96 PolarHBondContact O-N 3.36Å; R92-F118 HydrophobicContact CB-CE2 4.04Å; R92-F118 HydrophobicContact CB-CZ 4.34Å
93K98.5Very high97.7Very high55 Ų5544.7 Ų44.724%0.23922%0.217CC..Hα-helixtrans-59.4-38.9175.8-70.8161.9167.2160.50111.9V24 D25 D89 G90 D96 H97V24-K93 HydrophobicContact CB-CB 3.9Å; V24-K93 HydrophobicContact CG2-CB 3.76Å; D25-K93 IonicContact OD1-NZ 3.84Å; D25-K93 PolarHBondContact OD1-NZ 2.72Å; D89-K93 WeakPolarHBondContact O-CG 3.25Å; D89-K93 PolarHBondContact O-N 2.68Å; D89-K93 WeakPolarHBondContact OD2-CE 3.45Å; D89-K93 IonicContact OD2-NZ 2.8Å; D89-K93 PolarHBondContact OD2-NZ 2.82Å; G90-K93 PolarHBondContact O-N 2.75Å; K93-D96 PolarHBondContact O-N 3.33Å; K93-H97 WeakPolarHBondContact O-CB 3.49Å; K93-H97 PolarHBondContact O-N 3.43Å
94L98.7Very high97.9Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-61.3-46.1173.3-17970.6000111.8I22 V24 W32 L34 L76 G90 F91 R92 D96 H97 L98I22-L94 HydrophobicContact CB-CD1 4.3Å; I22-L94 HydrophobicContact CD1-CD1 4.25Å; I22-L94 HydrophobicContact CG2-CD1 4.21Å; V24-L94 HydrophobicContact CG1-CD1 4.32Å; V24-L94 HydrophobicContact CG2-CB 4.46Å; W32-L94 HydrophobicContact CB-CD1 4.12Å; W32-L94 HydrophobicContact CB-CD2 4.47Å; W32-L94 HydrophobicContact CD2-CB 4.46Å; W32-L94 HydrophobicContact CD2-CD2 3.68Å; W32-L94 HydrophobicContact CD2-CG 4.43Å; W32-L94 HydrophobicContact CE3-CD2 3.58Å; W32-L94 HydrophobicContact CG-CD1 4.07Å; W32-L94 HydrophobicContact CG-CD2 4.09Å; W32-L94 HydrophobicContact CG-CG 4.49Å; W32-L94 HydrophobicContact CZ3-CD2 4.01Å; L34-L94 HydrophobicContact CD2-CD1 4.23Å; L76-L94 HydrophobicContact CD1-CD2 3.96Å; L76-L94 HydrophobicContact CD2-CD2 4.04Å; G90-L94 PolarHBondContact O-N 3.02Å; F91-L94 HydrophobicContact CD2-CD2 4.1Å; F91-L94 HydrophobicContact CE2-CD2 4.25Å; F91-L94 WeakPolarHBondContact O-CB 3.41Å; F91-L94 PolarHBondContact O-N 2.95Å; R92-L94 VanDerWaalsContact C-N 3.29Å; R92-L94 PolarHBondContact O-N 3.32Å; L94-D96 VanDerWaalsContact C-N 3.3Å; L94-D96 PolarHBondContact O-N 3.32Å; L94-H97 PolarHBondContact O-N 3.14Å; L94-L98 HydrophobicContact CD1-CD1 4.12Å; L94-L98 HydrophobicContact CD1-CG 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.44Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 3.21Å
95L98.6Very high98Very high0 Ų040.9 Ų40.90%020%0.197CC..Hα-helixtrans-61.7-40.2177.1-63.7-171000111.8I47 F91 R92 L98 Q99 L100 V103 F118 R127I47-L95 HydrophobicContact CD1-CD2 3.67Å; F91-L95 HydrophobicContact CE2-CD2 4Å; F91-L95 HydrophobicContact CE2-CG 4.39Å; F91-L95 HydrophobicContact CZ-CD2 4.06Å; F91-L95 HydrophobicContact CZ-CG 4.43Å; F91-L95 WeakPolarHBondContact O-CG 3.48Å; F91-L95 PolarHBondContact O-N 2.93Å; R92-L95 PolarHBondContact O-N 2.93Å; R92-L95 VanDerWaalsContact O-N 3.13Å; L95-L98 CarbonylContact O-C 3.46Å; L95-L98 PolarHBondContact O-N 3.06Å; L95-Q99 PolarHBondContact O-N 2.81Å; L95-L100 HydrophobicContact CB-CB 4.48Å; L95-L100 HydrophobicContact CD2-CB 4.39Å; L95-L100 HydrophobicContact CD2-CD1 4.18Å; L95-L100 PolarHBondContact O-N 3.5Å; L95-V103 HydrophobicContact CD1-CG1 4.38Å; L95-V103 HydrophobicContact CD1-CG2 4.05Å; L95-V103 HydrophobicContact CD2-CG1 3.86Å; L95-V103 HydrophobicContact CD2-CG2 4.43Å; L95-F118 HydrophobicContact CD1-CE1 3.76Å; L95-F118 HydrophobicContact CD1-CZ 3.81Å; L95-R127 HydrophobicContact CD1-CB 4.25Å
96D98.4Very high98.1Very high68 Ų6835.6 Ų35.636%0.36417%0.17SC..Hα-helixtrans-64.5-44.2176-65.8-22.9000111.2R92 K93 L94 L98 Q99 R127R92-D96 IonicContact NH1-OD2 2.77Å; R92-D96 PolarHBondContact O-N 3.36Å; K93-D96 PolarHBondContact O-N 3.33Å; L94-D96 VanDerWaalsContact C-N 3.3Å; L94-D96 PolarHBondContact O-N 3.32Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 2.97Å; D96-Q99 PolarHBondContact O-N 2.73Å; D96-R127 IonicContact OD1-CZ 2.59Å; D96-R127 VanDerWaalsContact OD1-CZ 3.26Å; D96-R127 IonicContact OD1-NH1 3.79Å; D96-R127 PolarHBondContact OD1-NH1 2.98Å; D96-R127 IonicContact OD1-NH2 3.08Å; D96-R127 PolarHBondContact OD1-NH2 3.16Å
97H98.2Very high98.2Very high112 Ų11233.3 Ų33.352%0.51916%0.159SC..Hα-helixtrans-59.7-40.4174.4179.995.4000112.3V24 K93 L94 Q99V24-H97 HydrophobicContact CG1-CB 3.87Å; K93-H97 WeakPolarHBondContact O-CB 3.49Å; K93-H97 PolarHBondContact O-N 3.43Å; L94-H97 PolarHBondContact O-N 3.14Å; H97-Q99 PolarHBondContact O-N 3.08Å
98L97.8Very high98.2Very high27 Ų2733.4 Ų33.414%0.14116%0.159CC..THydrogen-bonded Turntrans-79.7-2.8177.5-65.4175.8000113.5I22 I74 L94 L95 D96 L100I22-L98 HydrophobicContact CD1-CD2 3.86Å; I74-L98 HydrophobicContact CD1-CD1 4.24Å; L94-L98 HydrophobicContact CD1-CD1 4.12Å; L94-L98 HydrophobicContact CD1-CG 4.29Å; L94-L98 HydrophobicContact CD2-CD1 4.44Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.42Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 VanDerWaalsContact O-CG 3.3Å; L94-L98 WeakPolarHBondContact O-CG 3.49Å; L94-L98 PolarHBondContact O-N 3.21Å; L95-L98 CarbonylContact O-C 3.46Å; L95-L98 PolarHBondContact O-N 3.06Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 2.97Å; L98-L100 HydrophobicContact CB-CD1 3.8Å; L98-L100 HydrophobicContact CB-CG 3.77Å; L98-L100 HydrophobicContact CD1-CD1 4.08Å
99Q97.4Very high98.1Very high137 Ų13734.8 Ų34.864%0.6417%0.17SC*.THydrogen-bonded Turntrans56.448-176.7-56.3179.9-26.100112.6L95 D96 H97L95-Q99 PolarHBondContact O-N 2.81Å; D96-Q99 PolarHBondContact O-N 2.73Å; H97-Q99 PolarHBondContact O-N 3.08Å
100L97.9Very high98Very high0 Ų033 Ų330%016%0.16CC..  trans-113.5104.8-178.4-57.9179.3000110.8P45 I47 I74 L95 L98 V103 R127P45-L100 HydrophobicContact CG-CD1 3.67Å; P45-L100 HydrophobicContact CG-CD2 3.97Å; P45-L100 HydrophobicContact CG-CG 4.43Å; I47-L100 HydrophobicContact CD1-CD1 4.2Å; I74-L100 HydrophobicContact CD1-CD1 3.84Å; L95-L100 HydrophobicContact CB-CB 4.48Å; L95-L100 HydrophobicContact CD2-CB 4.39Å; L95-L100 HydrophobicContact CD2-CD1 4.18Å; L95-L100 PolarHBondContact O-N 3.5Å; L98-L100 HydrophobicContact CB-CD1 3.8Å; L98-L100 HydrophobicContact CB-CG 3.77Å; L98-L100 HydrophobicContact CD1-CD1 4.08Å; L100-V103 HydrophobicContact CB-CG1 4.01Å; L100-V103 HydrophobicContact CD1-CG1 4.04Å; L100-R127 PolarHBondContact O-NH2 3.25Å
101D94.2Very high98Very high123 Ų12333 Ų3366%0.65816%0.16SC*.SBendtrans-69.9-42.7-178.9-61.9-35.6000112.4R127D101-R127 WeakPolarHBondContact O-CD 3.2Å; D101-R127 PolarHBondContact O-NE 3.5Å
102K97.3Very high98Very high51 Ų5133 Ų3322%0.22216%0.16CC..  trans-136.8154.6174.3-70.3-161.4-176.7-167.30110.8C44 P126 R127 H129 Y281C44-K102 WeakPolarHBondContact CA-O 3.41Å; C44-K102 PolarHBondContact SG-O 3.47Å; K102-P126 WeakPolarHBondContact CE-O 3.34Å; K102-R127 CarbonylContact C-O 3.56Å; K102-R127 VanDerWaalsContact CA-O 3.27Å; K102-R127 WeakPolarHBondContact CA-O 3.3Å; K102-H129 HydrophobicContact CB-CB 4.41Å; K102-H129 HydrophobicContact CD-CB 4.39Å; K102-Y281 HydrophobicContact CB-CD1 4.41Å; K102-Y281 HydrophobicContact CD-CD1 4.28Å; K102-Y281 HydrophobicContact CD-CE1 3.81Å; K102-Y281 HydrophobicContact CG-CE1 4.39Å
103V98.8Very high98Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-140.5154.3179.4-62.10000111.7P45 I47 L95 L100 L105 R127 H129P45-V103 HydrophobicContact CG-CG1 4.26Å; I47-V103 HydrophobicContact CD1-CB 4.05Å; I47-V103 HydrophobicContact CD1-CG1 3.68Å; I47-V103 HydrophobicContact CD1-CG2 4.32Å; I47-V103 HydrophobicContact CG1-CB 4.14Å; I47-V103 HydrophobicContact CG1-CG1 4.17Å; L95-V103 HydrophobicContact CD1-CG1 4.38Å; L95-V103 HydrophobicContact CD1-CG2 4.05Å; L95-V103 HydrophobicContact CD2-CG1 3.86Å; L95-V103 HydrophobicContact CD2-CG2 4.43Å; L100-V103 HydrophobicContact CB-CG1 4.01Å; L100-V103 HydrophobicContact CD1-CG1 4.04Å; V103-L105 HydrophobicContact CG2-CD2 3.87Å; V103-L105 HydrophobicContact CG2-CG 4.08Å; V103-R127 PolarHBondContact N-O 3.48Å; V103-H129 PolarHBondContact O-N 3.06Å
104H98.9Very high98Very high0 Ų026.4 Ų26.40%013%0.133CC..EExtended strand (participates in β ladder)trans-89.5140.1161.8-56.5-82.2000108.6P45 I46 I47 H129 S130 L273 F276 Y281P45-H104 PolarHBondContact O-N 3.06Å; I46-H104 CarbonylContact C-O 3.56Å; I46-H104 WeakPolarHBondContact CA-O 3.22Å; I46-H104 HydrophobicContact CB-CB 4.18Å; I46-H104 HydrophobicContact CG1-CB 4.29Å; I47-H104 PolarHBondContact N-O 3.13Å; H104-H129 AromaticContact CE1-CD2 3.32Å; H104-H129 PolarHBondContact CE1-CD2 3.11Å; H104-H129 AromaticContact CE1-CG 3.99Å; H104-H129 AromaticContact NE2-CD2 3.89Å; H104-S130 PolarHBondContact ND1-OG 3Å; H104-L273 HydrophobicContact CB-CD2 3.91Å; H104-F276 AromaticContact CE1-CD2 3.25Å; H104-F276 WeakPolarHBondContact CE1-CD2 3.42Å; H104-F276 AromaticContact CE1-CE2 3.51Å; H104-F276 AromaticContact CE1-CG 3.7Å; H104-F276 AromaticContact ND1-CD2 3.92Å; H104-F276 AromaticContact ND1-CE2 3.77Å; H104-Y281 PolarHBondContact NE2-O 2.73Å
105L98.9Very high98Very high1 Ų126.4 Ų26.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-117.8125.4-179.7-67.1176.1000110.7I47 F91 V103 A115 F118 V128 S130 L131 I132I47-L105 HydrophobicContact CB-CD2 3.75Å; I47-L105 HydrophobicContact CG2-CD2 4.17Å; I47-L105 WeakPolarHBondContact O-CA 3.35Å; F91-L105 HydrophobicContact CE1-CD1 4.25Å; F91-L105 HydrophobicContact CE1-CD2 3.94Å; F91-L105 HydrophobicContact CZ-CD2 3.76Å; V103-L105 HydrophobicContact CG2-CD2 3.87Å; V103-L105 HydrophobicContact CG2-CG 4.08Å; L105-A115 HydrophobicContact CB-CB 4.04Å; L105-A115 HydrophobicContact CD1-CB 3.93Å; L105-F118 HydrophobicContact CD1-CD1 4.2Å; L105-V128 HydrophobicContact CD1-CB 4.41Å; L105-V128 HydrophobicContact CD1-CG1 3.96Å; L105-V128 HydrophobicContact CD1-CG2 3.55Å; L105-V128 HydrophobicContact CG-CG1 4.27Å; L105-V128 HydrophobicContact CG-CG2 4.43Å; L105-S130 PolarHBondContact N-O 3.43Å; L105-L131 HydrophobicContact CB-CD2 3.93Å; L105-L131 HydrophobicContact CD1-CD2 4.27Å; L105-L131 CarbonylContact O-C 3.58Å; L105-L131 WeakPolarHBondContact O-CA 3.3Å; L105-I132 PolarHBondContact O-N 3.4Å
106F98.9Very high98Very high0 Ų026.4 Ų26.40%013%0.133CC..EExtended strand (participates in β ladder)trans-101.6129161.2-178.5-76.7000108.3I46 I47 F48 L49 F59 A108 I132 C134 I222 V265 I269I46-F106 HydrophobicContact CD1-CB 4.21Å; I46-F106 HydrophobicContact CG1-CB 4.44Å; I47-F106 PolarHBondContact O-N 3.44Å; F48-F106 CarbonylContact C-O 3.57Å; F48-F106 WeakPolarHBondContact CA-O 3.3Å; F48-F106 HydrophobicContact CD1-CB 3.64Å; F48-F106 AromaticContact CD1-CD1 3.3Å; F48-F106 HydrophobicContact CD1-CD1 3.3Å; F48-F106 HydrophobicContact CD1-CD2 4.38Å; F48-F106 HydrophobicContact CD1-CE1 4.03Å; F48-F106 AromaticContact CD1-CG 3.52Å; F48-F106 HydrophobicContact CD1-CG 3.52Å; F48-F106 HydrophobicContact CE1-CB 3.63Å; F48-F106 AromaticContact CE1-CD1 3.59Å; F48-F106 HydrophobicContact CE1-CD1 3.59Å; F48-F106 AromaticContact CE1-CD2 3.83Å; F48-F106 HydrophobicContact CE1-CD2 3.83Å; F48-F106 HydrophobicContact CE1-CE1 4.17Å; F48-F106 HydrophobicContact CE1-CE2 4.37Å; F48-F106 AromaticContact CE1-CG 3.39Å; F48-F106 HydrophobicContact CE1-CG 3.39Å; F48-F106 HydrophobicContact CG-CB 4.11Å; F48-F106 HydrophobicContact CG-CD1 4.31Å; F48-F106 HydrophobicContact CG-CG 4.44Å; F48-F106 HydrophobicContact CZ-CB 4.11Å; F48-F106 HydrophobicContact CZ-CG 4.26Å; L49-F106 PolarHBondContact N-O 3.41Å; F59-F106 HydrophobicContact CD1-CE1 4.35Å; F59-F106 HydrophobicContact CE1-CD1 4.08Å; F59-F106 AromaticContact CE1-CE1 3.66Å; F59-F106 HydrophobicContact CE1-CE1 3.66Å; F59-F106 HydrophobicContact CZ-CD1 4.41Å; F59-F106 HydrophobicContact CZ-CE1 4.27Å; F106-A108 HydrophobicContact CE1-CB 4.36Å; F106-I132 WeakPolarHBondContact CA-O 3.43Å; F106-I132 HydrophobicContact CB-CB 4.4Å; F106-I132 HydrophobicContact CD2-CB 3.79Å; F106-I132 HydrophobicContact CD2-CD1 4.43Å; F106-I132 HydrophobicContact CD2-CG2 3.49Å; F106-I132 VanDerWaalsContact CD2-CG2 3.49Å; F106-I132 HydrophobicContact CE2-CG2 3.8Å; F106-I132 HydrophobicContact CG-CB 4.44Å; F106-C134 HydrophobicContact CE1-CB 3.86Å; F106-C134 HydrophobicContact CE2-CB 3.98Å; F106-C134 HydrophobicContact CZ-CB 3.35Å; F106-I222 HydrophobicContact CE2-CD1 4.09Å; F106-V265 HydrophobicContact CE2-CG1 3.97Å; F106-V265 HydrophobicContact CZ-CG1 4.1Å; F106-I269 HydrophobicContact CD2-CD1 3.84Å; F106-I269 HydrophobicContact CD2-CG1 3.88Å; F106-I269 HydrophobicContact CE2-CD1 3.83Å; F106-I269 HydrophobicContact CE2-CG1 4.03Å
107G98.6Very high98Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-136133.9176.500000112.4G112 I132 C134G107-G112 VanDerWaalsContact C-N 3.32Å; G107-I132 PolarHBondContact N-O 3.24Å; G107-C134 PolarHBondContact O-N 2.95Å
108A98.1Very high98.1Very high2 Ų218.8 Ų18.82%0.01710%0.096CC..EExtended strand (participates in β ladder)trans-103.6128.2176.600000111.2L49 P51 F59 F106 L110 G111 C134 Y258L49-A108 PolarHBondContact O-N 3.1Å; L49-A108 VanDerWaalsContact O-N 3.12Å; P51-A108 WeakPolarHBondContact CA-O 3.39Å; F59-A108 HydrophobicContact CE1-CB 4.38Å; F59-A108 HydrophobicContact CZ-CB 4.15Å; F106-A108 HydrophobicContact CE1-CB 4.36Å; A108-L110 PolarHBondContact O-N 3.35Å; A108-G111 PolarHBondContact O-N 3.2Å; A108-C134 VanDerWaalsContact CA-O 3.28Å; A108-C134 WeakPolarHBondContact CA-O 3.47Å; A108-Y258 HydrophobicContact CB-CD1 4.15Å; A108-Y258 HydrophobicContact CB-CE1 3.63Å
109S96.6Very high98.1Very high34 Ų3417.8 Ų17.824%0.2389%0.091CC..THydrogen-bonded Turntrans50.5-121.1-179.5-173.80000111.7G111 G112 F113 C134 N135 S136S109-G111 PolarHBondContact O-N 3.42Å; S109-G112 WeakPolarHBondContact O-CA 3.42Å; S109-G112 PolarHBondContact O-N 3.21Å; S109-F113 PolarHBondContact O-N 3.05Å; S109-F113 VanDerWaalsContact O-N 3.12Å; S109-C134 PolarHBondContact N-O 2.87Å; S109-C134 VanDerWaalsContact N-O 3.11Å; S109-N135 WeakPolarHBondContact CA-O 2.95Å; S109-N135 PolarHBondContact N-O 3.36Å; S109-S136 PolarHBondContact O-OG 3.45Å
110L97.6Very high98.1Very high0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-50.2-42.1174.2176.761.7000112.5V52 Y78 A108 G112 F113 L114 R199 L202 N203V52-L110 HydrophobicContact CG2-CB 3.92Å; V52-L110 HydrophobicContact CG2-CD2 3.62Å; V52-L110 HydrophobicContact CG2-CG 4.39Å; Y78-L110 WeakPolarHBondContact OH-CD2 3.33Å; A108-L110 PolarHBondContact O-N 3.35Å; L110-G112 PolarHBondContact O-N 3.14Å; L110-F113 HydrophobicContact CD1-CD1 4.28Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 2.9Å; L110-L114 HydrophobicContact CD1-CD1 4.29Å; L110-L114 HydrophobicContact CD1-CD2 4.35Å; L110-L114 HydrophobicContact CD1-CG 3.99Å; L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 3.97Å; L110-L114 HydrophobicContact CG-CG 4.14Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.46Å; L110-R199 HydrophobicContact CD2-CB 4.04Å; L110-R199 HydrophobicContact CD2-CG 4.42Å; L110-R199 VanDerWaalsContact CD2-O 3.31Å; L110-R199 WeakPolarHBondContact CD2-O 3.41Å; L110-L202 HydrophobicContact CD1-CB 4.2Å; L110-L202 HydrophobicContact CD2-CB 4.43Å; L110-N203 HydrophobicContact CD1-CB 4.09Å; L110-N203 HydrophobicContact CD2-CB 4.34Å
111G98.4Very high98.2Very high0 Ų016.3 Ų16.30%08%0.081CC..Hα-helixtrans-60.2-33.3177.900000112.8L49 P50 A108 S109 A115L49-G111 WeakPolarHBondContact CD1-O 3.43Å; P50-G111 WeakPolarHBondContact O-CA 3.27Å; P50-G111 PolarHBondContact O-N 3.02Å; A108-G111 PolarHBondContact O-N 3.2Å; S109-G111 PolarHBondContact O-N 3.42Å; G111-A115 WeakPolarHBondContact O-CB 3.3Å; G111-A115 PolarHBondContact O-N 3.34Å
112G98.3Very high98.3Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-74-35173.300000112.8G107 S109 L110 A115 Q116 S136G107-G112 VanDerWaalsContact C-N 3.32Å; S109-G112 WeakPolarHBondContact O-CA 3.42Å; S109-G112 PolarHBondContact O-N 3.21Å; L110-G112 PolarHBondContact O-N 3.14Å; G112-A115 PolarHBondContact O-N 3.35Å; G112-Q116 VanDerWaalsContact O-CG 3.26Å; G112-Q116 WeakPolarHBondContact O-CG 3.48Å; G112-Q116 PolarHBondContact O-N 3.39Å; G112-Q116 VanDerWaalsContact O-N 3.12Å; G112-Q116 PolarHBondContact O-NE2 3.44Å; G112-S136 WeakPolarHBondContact CA-OG 3.33Å
113F98.4Very high98.3Very high0 Ų011.6 Ų11.60%06%0.056CC..Hα-helixtrans-65.1-45.8172.8178.3-108.3000111L84 S109 L110 A115 Q116 K117 S136 F137 T140 V209L84-F113 HydrophobicContact CD1-CE1 4.12Å; L84-F113 HydrophobicContact CD1-CZ 4.44Å; L84-F113 HydrophobicContact CD2-CE1 4Å; S109-F113 PolarHBondContact O-N 3.05Å; S109-F113 VanDerWaalsContact O-N 3.12Å; L110-F113 HydrophobicContact CD1-CD1 4.28Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 2.9Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.49Å; F113-Q116 WeakPolarHBondContact O-CB 3.48Å; F113-Q116 PolarHBondContact O-N 3.48Å; F113-Q116 VanDerWaalsContact O-N 3.16Å; F113-K117 HydrophobicContact CD1-CG 4.3Å; F113-K117 HydrophobicContact CE1-CG 3.92Å; F113-K117 HydrophobicContact CE2-CD 4.21Å; F113-K117 HydrophobicContact CE2-CG 4.18Å; F113-K117 HydrophobicContact CZ-CD 3.99Å; F113-K117 HydrophobicContact CZ-CG 3.85Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 3.1Å; F113-S136 PolarHBondContact N-OG 3.49Å; F113-F137 HydrophobicContact CB-CD2 4.1Å; F113-F137 HydrophobicContact CB-CE1 4.3Å; F113-F137 HydrophobicContact CB-CE2 3.56Å; F113-F137 HydrophobicContact CB-CZ 3.67Å; F113-F137 AromaticContact CD1-CE2 3.95Å; F113-F137 HydrophobicContact CD1-CE2 3.95Å; F113-F137 HydrophobicContact CD1-CZ 4.38Å; F113-F137 AromaticContact CD2-CD2 3.83Å; F113-F137 HydrophobicContact CD2-CD2 3.83Å; F113-F137 AromaticContact CD2-CE2 3.65Å; F113-F137 HydrophobicContact CD2-CE2 3.65Å; F113-F137 WeakPolarHBondContact CD2-O 3.36Å; F113-F137 HydrophobicContact CE2-CD2 4.49Å; F113-F137 HydrophobicContact CE2-CE2 4.3Å; F113-F137 HydrophobicContact CG-CD2 4.05Å; F113-F137 AromaticContact CG-CE2 3.44Å; F113-F137 HydrophobicContact CG-CE2 3.44Å; F113-F137 VanDerWaalsContact CG-CE2 3.44Å; F113-F137 AromaticContact CG-CZ 3.99Å; F113-F137 HydrophobicContact CG-CZ 3.99Å; F113-T140 HydrophobicContact CD1-CG2 4.26Å; F113-T140 HydrophobicContact CE1-CG2 3.57Å; F113-T140 HydrophobicContact CE2-CG2 4.15Å; F113-T140 HydrophobicContact CZ-CG2 3.51Å; F113-V209 HydrophobicContact CD2-CG2 4.06Å; F113-V209 HydrophobicContact CE2-CG2 3.86Å
114L98.7Very high98.2Very high0 Ų020.7 Ų20.70%010%0.096CC..Hα-helixtrans-60.6-39.8174.9-67.7178.4000112.3Y78 L84 F87 L110 Q116 K117 F118 L202Y78-L114 HydrophobicContact CE1-CD1 4.09Å; Y78-L114 HydrophobicContact CE2-CD1 4.1Å; L84-L114 HydrophobicContact CD2-CD2 3.51Å; F87-L114 HydrophobicContact CD1-CB 4.24Å; F87-L114 HydrophobicContact CD1-CD2 3.91Å; F87-L114 HydrophobicContact CD1-CG 4.47Å; F87-L114 HydrophobicContact CD2-CD1 4.09Å; F87-L114 HydrophobicContact CD2-CD2 4.48Å; F87-L114 HydrophobicContact CE1-CB 3.63Å; F87-L114 HydrophobicContact CE1-CD1 4.39Å; F87-L114 HydrophobicContact CE1-CD2 4.19Å; F87-L114 HydrophobicContact CE1-CG 4.27Å; F87-L114 HydrophobicContact CE2-CB 4.42Å; F87-L114 HydrophobicContact CE2-CD1 3.8Å; F87-L114 HydrophobicContact CG-CD2 4.09Å; F87-L114 HydrophobicContact CZ-CB 3.74Å; F87-L114 HydrophobicContact CZ-CD1 3.97Å; F87-L114 HydrophobicContact CZ-CG 4.3Å; L110-L114 HydrophobicContact CD1-CD1 4.29Å; L110-L114 HydrophobicContact CD1-CD2 4.35Å; L110-L114 HydrophobicContact CD1-CG 3.99Å; L110-L114 HydrophobicContact CD2-CD1 4.47Å; L110-L114 HydrophobicContact CG-CD1 3.97Å; L110-L114 HydrophobicContact CG-CG 4.14Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.46Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.37Å; L114-K117 PolarHBondContact O-N 2.82Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 3.45Å; L114-L202 HydrophobicContact CD2-CD1 4.35Å
115A98.8Very high98.1Very high0 Ų025 Ų250%013%0.126CC..Hα-helixtrans-59.3-44.1174.200000112.1L49 L105 G111 G112 F113 F118 A119 L131L49-A115 HydrophobicContact CD1-CB 4.02Å; L105-A115 HydrophobicContact CB-CB 4.04Å; L105-A115 HydrophobicContact CD1-CB 3.93Å; G111-A115 WeakPolarHBondContact O-CB 3.3Å; G111-A115 PolarHBondContact O-N 3.34Å; G112-A115 PolarHBondContact O-N 3.35Å; F113-A115 VanDerWaalsContact C-N 3.33Å; F113-A115 PolarHBondContact O-N 3.49Å; A115-F118 PolarHBondContact O-N 2.91Å; A115-A119 PolarHBondContact O-N 3.11Å; A115-L131 HydrophobicContact CB-CD2 3.71Å
116Q98.6Very high98Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-65.9-45.4177.4-66.117082.700111.5G112 F113 L114 F118 A119 E120 L131 L133 F137 V209 Y242G112-Q116 VanDerWaalsContact O-CG 3.26Å; G112-Q116 WeakPolarHBondContact O-CG 3.48Å; G112-Q116 PolarHBondContact O-N 3.39Å; G112-Q116 VanDerWaalsContact O-N 3.12Å; G112-Q116 PolarHBondContact O-NE2 3.44Å; F113-Q116 WeakPolarHBondContact O-CB 3.48Å; F113-Q116 PolarHBondContact O-N 3.48Å; F113-Q116 VanDerWaalsContact O-N 3.16Å; L114-Q116 VanDerWaalsContact C-N 3.33Å; L114-Q116 PolarHBondContact O-N 3.37Å; Q116-F118 VanDerWaalsContact C-N 3.28Å; Q116-F118 PolarHBondContact O-N 2.77Å; Q116-A119 WeakPolarHBondContact O-CB 3.2Å; Q116-A119 PolarHBondContact O-N 3.17Å; Q116-E120 PolarHBondContact O-N 3.13Å; Q116-L131 HydrophobicContact CG-CD1 4.38Å; Q116-L133 HydrophobicContact CG-CD1 3.88Å; Q116-L133 HydrophobicContact CG-CD2 3.81Å; Q116-F137 PolarHBondContact NE2-O 3.06Å; Q116-V209 HydrophobicContact CB-CG1 4.09Å; Q116-V209 HydrophobicContact CB-CG2 3.68Å; Q116-Y242 VanDerWaalsContact CD-OH 3.28Å; Q116-Y242 VanDerWaalsContact CG-OH 3.24Å; Q116-Y242 WeakPolarHBondContact CG-OH 3.41Å; Q116-Y242 PolarHBondContact OE1-OH 3.21Å
117K98.5Very high97.9Very high20 Ų2029.7 Ų29.79%0.08715%0.152CC..Hα-helixtrans-62.8-34.2176.8-67.3-55.7-59.2176.20112.3L84 F113 L114 E120 Y121 S207 Y208 V209L84-K117 HydrophobicContact CD1-CG 4.24Å; L84-K117 HydrophobicContact CD2-CG 4.28Å; F113-K117 HydrophobicContact CD1-CG 4.3Å; F113-K117 HydrophobicContact CE1-CG 3.92Å; F113-K117 HydrophobicContact CE2-CD 4.21Å; F113-K117 HydrophobicContact CE2-CG 4.18Å; F113-K117 HydrophobicContact CZ-CD 3.99Å; F113-K117 HydrophobicContact CZ-CG 3.85Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 3.1Å; L114-K117 PolarHBondContact O-N 2.82Å; K117-E120 IonicContact NZ-OE1 3.54Å; K117-E120 PolarHBondContact NZ-OE1 2.59Å; K117-E120 IonicContact NZ-OE2 3.25Å; K117-E120 PolarHBondContact NZ-OE2 2.83Å; K117-E120 PolarHBondContact O-N 3.25Å; K117-Y121 VanDerWaalsContact O-CB 3.27Å; K117-Y121 WeakPolarHBondContact O-CB 3.49Å; K117-Y121 PolarHBondContact O-N 3.2Å; K117-S207 WeakPolarHBondContact CE-OG 3.42Å; K117-Y208 PolarHBondContact NZ-O 3.46Å; K117-V209 HydrophobicContact CD-CG2 3.89Å; K117-V209 HydrophobicContact CG-CG2 4.49Å
118F98.8Very high97.9Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-70.8-39.2174.1-175.5-110.4000113.1C88 F91 R92 L95 L105 L114 A115 Q116 E120 Y121 T122 R127 V128C88-F118 HydrophobicContact CB-CD2 4.04Å; C88-F118 WeakPolarHBondContact O-CE2 3.24Å; F91-F118 HydrophobicContact CB-CD2 4.39Å; F91-F118 HydrophobicContact CB-CE2 4.28Å; F91-F118 HydrophobicContact CD1-CB 4.27Å; F91-F118 AromaticContact CD1-CD1 3.51Å; F91-F118 HydrophobicContact CD1-CD1 3.51Å; F91-F118 AromaticContact CD1-CD2 3.7Å; F91-F118 HydrophobicContact CD1-CD2 3.7Å; F91-F118 AromaticContact CD1-CE1 3.63Å; F91-F118 HydrophobicContact CD1-CE1 3.63Å; F91-F118 AromaticContact CD1-CE2 3.8Å; F91-F118 HydrophobicContact CD1-CE2 3.8Å; F91-F118 AromaticContact CD1-CG 3.55Å; F91-F118 HydrophobicContact CD1-CG 3.55Å; F91-F118 AromaticContact CD1-CZ 3.76Å; F91-F118 HydrophobicContact CD1-CZ 3.76Å; F91-F118 AromaticContact CE1-CD1 3.53Å; F91-F118 HydrophobicContact CE1-CD1 3.53Å; F91-F118 AromaticContact CE1-CE1 3.65Å; F91-F118 HydrophobicContact CE1-CE1 3.65Å; F91-F118 HydrophobicContact CE1-CG 4.02Å; F91-F118 HydrophobicContact CE1-CZ 4.21Å; F91-F118 HydrophobicContact CG-CE2 4.42Å; R92-F118 HydrophobicContact CB-CE2 4.04Å; R92-F118 HydrophobicContact CB-CZ 4.34Å; L95-F118 HydrophobicContact CD1-CE1 3.76Å; L95-F118 HydrophobicContact CD1-CZ 3.81Å; L105-F118 HydrophobicContact CD1-CD1 4.2Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 3.45Å; A115-F118 PolarHBondContact O-N 2.91Å; Q116-F118 VanDerWaalsContact C-N 3.28Å; Q116-F118 PolarHBondContact O-N 2.77Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.32Å; F118-Y121 HydrophobicContact CD2-CD1 4.27Å; F118-Y121 HydrophobicContact CE2-CD1 4.31Å; F118-Y121 PolarHBondContact O-N 2.85Å; F118-T122 HydrophobicContact CD2-CG2 4.28Å; F118-T122 HydrophobicContact CE1-CG2 4.27Å; F118-T122 HydrophobicContact CE2-CG2 3.82Å; F118-T122 HydrophobicContact CZ-CG2 3.81Å; F118-T122 PolarHBondContact O-N 3.35Å; F118-T122 PolarHBondContact O-OG1 3.15Å; F118-R127 HydrophobicContact CE1-CB 3.93Å; F118-R127 HydrophobicContact CZ-CB 4.1Å; F118-V128 HydrophobicContact CD1-CG2 3.53Å; F118-V128 HydrophobicContact CE1-CG2 3.96Å
119A98.6Very high97.9Very high5 Ų531.7 Ų31.74%0.04116%0.161CC..Hα-helixtrans-60-44.1171.800000111A115 Q116 T122 H123 V128 L131 I214A115-A119 PolarHBondContact O-N 3.11Å; Q116-A119 WeakPolarHBondContact O-CB 3.2Å; Q116-A119 PolarHBondContact O-N 3.17Å; A119-T122 PolarHBondContact O-N 3.34Å; A119-H123 PolarHBondContact O-N 3.36Å; A119-V128 HydrophobicContact CB-CB 3.97Å; A119-V128 HydrophobicContact CB-CG1 4.23Å; A119-V128 HydrophobicContact CB-CG2 3.9Å; A119-L131 HydrophobicContact CB-CD1 4.19Å; A119-I214 HydrophobicContact CB-CG2 3.92Å
120E98.1Very high98Very high19 Ų1930 Ų309%0.08915%0.15CC..Hα-helixtrans-62.3-46.5174.8-175-165.712300112.1Q116 K117 F118 T122 H123 V209 E210 K213 I214Q116-E120 PolarHBondContact O-N 3.13Å; K117-E120 IonicContact NZ-OE1 3.54Å; K117-E120 PolarHBondContact NZ-OE1 2.59Å; K117-E120 IonicContact NZ-OE2 3.25Å; K117-E120 PolarHBondContact NZ-OE2 2.83Å; K117-E120 PolarHBondContact O-N 3.25Å; F118-E120 VanDerWaalsContact C-N 3.31Å; F118-E120 PolarHBondContact O-N 3.32Å; E120-T122 PolarHBondContact O-N 3.11Å; E120-H123 PolarHBondContact O-N 2.93Å; E120-H123 PolarHBondContact O-ND1 2.79Å; E120-V209 WeakPolarHBondContact OE2-CA 3.35Å; E120-E210 HydrophobicContact CG-CB 4.25Å; E120-E210 PolarHBondContact OE2-N 2.78Å; E120-K213 HydrophobicContact CG-CB 3.96Å; E120-K213 HydrophobicContact CG-CD 3.52Å; E120-K213 HydrophobicContact CG-CG 4.37Å; E120-I214 HydrophobicContact CB-CG2 4.02Å
121Y98.3Very high98.1Very high88 Ų8830 Ų3035%0.34515%0.15SC..Hα-helixtrans-57.8-39.6179174-105.2000111.7L85 C88 K117 F118L85-Y121 HydrophobicContact CD1-CD2 4.05Å; L85-Y121 HydrophobicContact CD1-CE2 3.44Å; L85-Y121 VanDerWaalsContact CD1-CE2 3.44Å; C88-Y121 HydrophobicContact CB-CD1 3.6Å; C88-Y121 HydrophobicContact CB-CD2 4.05Å; C88-Y121 HydrophobicContact CB-CE1 4.01Å; C88-Y121 HydrophobicContact CB-CE2 4.43Å; C88-Y121 HydrophobicContact CB-CG 3.62Å; K117-Y121 VanDerWaalsContact O-CB 3.27Å; K117-Y121 WeakPolarHBondContact O-CB 3.49Å; K117-Y121 PolarHBondContact O-N 3.2Å; F118-Y121 HydrophobicContact CD2-CD1 4.27Å; F118-Y121 HydrophobicContact CE2-CD1 4.31Å; F118-Y121 PolarHBondContact O-N 2.85Å
122T97.9Very high98.1Very high11 Ų1130.1 Ų30.17%0.06715%0.15CC..THydrogen-bonded Turntrans-93.17.4-177.762.60000114.6F118 A119 E120 K124 S125 P126 R127F118-T122 HydrophobicContact CD2-CG2 4.28Å; F118-T122 HydrophobicContact CE1-CG2 4.27Å; F118-T122 HydrophobicContact CE2-CG2 3.82Å; F118-T122 HydrophobicContact CZ-CG2 3.81Å; F118-T122 PolarHBondContact O-N 3.35Å; F118-T122 PolarHBondContact O-OG1 3.15Å; A119-T122 PolarHBondContact O-N 3.34Å; E120-T122 PolarHBondContact O-N 3.11Å; T122-K124 PolarHBondContact O-N 3.43Å; T122-S125 CarbonylContact O-C 3.56Å; T122-S125 WeakPolarHBondContact O-CA 3.39Å; T122-S125 PolarHBondContact O-N 3.03Å; T122-P126 VanDerWaalsContact O-CA 3.24Å; T122-P126 WeakPolarHBondContact O-CA 3.37Å; T122-P126 VanDerWaalsContact O-N 3.07Å; T122-R127 HydrophobicContact CG2-CB 4.06Å; T122-R127 HydrophobicContact CG2-CG 3.82Å; T122-R127 PolarHBondContact OG1-N 3.1Å
123H97.1Very high98.1Very high64 Ų6430.1 Ų30.130%0.29615%0.15SC..THydrogen-bonded Turntrans-54.1-30.7-172.373-73.7000115.7A119 E120 P126 K213A119-H123 PolarHBondContact O-N 3.36Å; E120-H123 PolarHBondContact O-N 2.93Å; E120-H123 PolarHBondContact O-ND1 2.79Å; H123-P126 WeakPolarHBondContact O-CG 3.46Å; H123-K213 HydrophobicContact CB-CB 3.94Å; H123-K213 WeakPolarHBondContact CB-O 3.4Å
124K96.1Very high98.1Very high190 Ų19030.1 Ų30.183%0.82615%0.15SC*.THydrogen-bonded Turntrans-74.3-26176.3-63.3-173.5179.71780113.5T122T122-K124 PolarHBondContact O-N 3.43Å
125S96.4Very high98Very high90 Ų9030.5 Ų30.563%0.62915%0.152SC*.SBendtrans-139.977.2175.4-170.90000108.3T122 R127T122-S125 CarbonylContact O-C 3.56Å; T122-S125 WeakPolarHBondContact O-CA 3.39Å; T122-S125 PolarHBondContact O-N 3.03Å; S125-R127 PolarHBondContact O-N 3.08Å
126P96.8Very high97.9Very high62 Ų6230.6 Ų30.640%0.40315%0.152SC..  trans-59.7122.6-163.7-27.835.3000113.2K102 T122 H123K102-P126 WeakPolarHBondContact CE-O 3.34Å; T122-P126 VanDerWaalsContact O-CA 3.24Å; T122-P126 WeakPolarHBondContact O-CA 3.37Å; T122-P126 VanDerWaalsContact O-N 3.07Å; H123-P126 WeakPolarHBondContact O-CG 3.46Å
127R98.1Very high97.7Very high38 Ų3830.6 Ų30.614%0.14315%0.153CC..  trans-101-10.7172.8-58.7-62.9-67.9-109.9-6112.9L95 D96 L100 D101 K102 V103 F118 T122 S125L95-R127 HydrophobicContact CD1-CB 4.25Å; D96-R127 IonicContact OD1-CZ 2.59Å; D96-R127 VanDerWaalsContact OD1-CZ 3.26Å; D96-R127 IonicContact OD1-NH1 3.79Å; D96-R127 PolarHBondContact OD1-NH1 2.98Å; D96-R127 IonicContact OD1-NH2 3.08Å; D96-R127 PolarHBondContact OD1-NH2 3.16Å; L100-R127 PolarHBondContact O-NH2 3.25Å; D101-R127 WeakPolarHBondContact O-CD 3.2Å; D101-R127 PolarHBondContact O-NE 3.5Å; K102-R127 CarbonylContact C-O 3.56Å; K102-R127 VanDerWaalsContact CA-O 3.27Å; K102-R127 WeakPolarHBondContact CA-O 3.3Å; V103-R127 PolarHBondContact N-O 3.48Å; F118-R127 HydrophobicContact CE1-CB 3.93Å; F118-R127 HydrophobicContact CZ-CB 4.1Å; T122-R127 HydrophobicContact CG2-CB 4.06Å; T122-R127 HydrophobicContact CG2-CG 3.82Å; T122-R127 PolarHBondContact OG1-N 3.1Å; S125-R127 PolarHBondContact O-N 3.08Å
128V98.6Very high97.6Very high6 Ų629.9 Ų29.94%0.03615%0.15CC..EExtended strand (participates in β ladder)trans-104123.6177.2-176.30000109L105 F118 A119 L131 V217L105-V128 HydrophobicContact CD1-CB 4.41Å; L105-V128 HydrophobicContact CD1-CG1 3.96Å; L105-V128 HydrophobicContact CD1-CG2 3.55Å; L105-V128 HydrophobicContact CG-CG1 4.27Å; L105-V128 HydrophobicContact CG-CG2 4.43Å; F118-V128 HydrophobicContact CD1-CG2 3.53Å; F118-V128 HydrophobicContact CE1-CG2 3.96Å; A119-V128 HydrophobicContact CB-CB 3.97Å; A119-V128 HydrophobicContact CB-CG1 4.23Å; A119-V128 HydrophobicContact CB-CG2 3.9Å; V128-L131 HydrophobicContact CG1-CD2 4Å; V128-L131 HydrophobicContact CG1-CG 4.03Å; V128-V217 HydrophobicContact CG1-CG1 4.42Å
129H98.4Very high97.3Very high38 Ų3832.2 Ų32.218%0.17616%0.162CC..EExtended strand (participates in β ladder)trans-87.7-40.2176.5-167.630000112.1K102 V103 H104 F276 Y281K102-H129 HydrophobicContact CB-CB 4.41Å; K102-H129 HydrophobicContact CD-CB 4.39Å; V103-H129 PolarHBondContact O-N 3.06Å; H104-H129 AromaticContact CE1-CD2 3.32Å; H104-H129 PolarHBondContact CE1-CD2 3.11Å; H104-H129 AromaticContact CE1-CG 3.99Å; H104-H129 AromaticContact NE2-CD2 3.89Å; H129-F276 AromaticContact CD2-CD1 3.76Å; H129-F276 AromaticContact CD2-CE1 3.94Å; H129-F276 AromaticContact CE1-CE1 3.94Å; H129-F276 AromaticContact NE2-CD1 3.2Å; H129-F276 WeakPolarHBondContact NE2-CD1 3.39Å; H129-F276 AromaticContact NE2-CE1 3.49Å; H129-F276 WeakPolarHBondContact NE2-CE1 3.47Å; H129-F276 AromaticContact NE2-CG 3.97Å; H129-Y281 WeakPolarHBondContact CD2-CB 3.27Å; H129-Y281 AromaticContact CD2-CG 3.71Å; H129-Y281 AromaticContact CE1-CD2 3.75Å; H129-Y281 VanDerWaalsContact NE2-CB 3.34Å; H129-Y281 WeakPolarHBondContact NE2-CB 3.38Å; H129-Y281 AromaticContact NE2-CD2 3.45Å; H129-Y281 WeakPolarHBondContact NE2-CD2 3.42Å; H129-Y281 AromaticContact NE2-CG 3.6Å
130S98.7Very high97Very high0 Ų032 Ų320%016%0.161CC..EExtended strand (participates in β ladder)trans-156.3163176.279.50000112.1H104 L105 A218 H272H104-S130 PolarHBondContact ND1-OG 3Å; L105-S130 PolarHBondContact N-O 3.43Å; S130-A218 WeakPolarHBondContact CA-O 3.45Å; S130-A218 VanDerWaalsContact CB-O 3.31Å; S130-A218 WeakPolarHBondContact CB-O 3.39Å; S130-H272 WeakPolarHBondContact CB-NE2 3.47Å; S130-H272 PolarHBondContact OG-NE2 3.2Å
131L98.8Very high96.5Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-124.1137.3-177.1-69.6163.8000111.6L105 A115 Q116 A119 V128 L133 V217 A218 V219 T220 H272L105-L131 HydrophobicContact CB-CD2 3.93Å; L105-L131 HydrophobicContact CD1-CD2 4.27Å; L105-L131 CarbonylContact O-C 3.58Å; L105-L131 WeakPolarHBondContact O-CA 3.3Å; A115-L131 HydrophobicContact CB-CD2 3.71Å; Q116-L131 HydrophobicContact CG-CD1 4.38Å; A119-L131 HydrophobicContact CB-CD1 4.19Å; V128-L131 HydrophobicContact CG1-CD2 4Å; V128-L131 HydrophobicContact CG1-CG 4.03Å; L131-L133 HydrophobicContact CB-CD2 4.22Å; L131-L133 HydrophobicContact CB-CG 4.32Å; L131-L133 HydrophobicContact CD2-CD2 4.34Å; L131-V217 HydrophobicContact CB-CG1 4.41Å; L131-V217 HydrophobicContact CD1-CG1 3.81Å; L131-V217 HydrophobicContact CG-CG1 3.87Å; L131-A218 PolarHBondContact N-O 2.62Å; L131-V219 HydrophobicContact CB-CG1 4.35Å; L131-V219 HydrophobicContact CB-CG2 4.1Å; L131-V219 HydrophobicContact CD1-CG2 4.23Å; L131-V219 CarbonylContact O-C 3.58Å; L131-V219 VanDerWaalsContact O-CA 3.31Å; L131-V219 WeakPolarHBondContact O-CA 3.39Å; L131-T220 PolarHBondContact O-N 2.7Å; L131-H272 PolarHBondContact O-CE1 3.06Å; L131-H272 VanDerWaalsContact O-CE1 3.3Å
132I98.9Very high95.8Very high1 Ų131.8 Ų31.81%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-121.6113.5166.5-53.8169000107.3I46 L105 F106 G107 T220 I222 I269 H272I46-I132 HydrophobicContact CD1-CD1 3.97Å; L105-I132 PolarHBondContact O-N 3.4Å; F106-I132 WeakPolarHBondContact CA-O 3.43Å; F106-I132 HydrophobicContact CB-CB 4.4Å; F106-I132 HydrophobicContact CD2-CB 3.79Å; F106-I132 HydrophobicContact CD2-CD1 4.43Å; F106-I132 HydrophobicContact CD2-CG2 3.49Å; F106-I132 VanDerWaalsContact CD2-CG2 3.49Å; F106-I132 HydrophobicContact CE2-CG2 3.8Å; F106-I132 HydrophobicContact CG-CB 4.44Å; G107-I132 PolarHBondContact N-O 3.24Å; I132-T220 CarbonylContact C-O 3.09Å; I132-T220 VanDerWaalsContact CA-O 3.31Å; I132-T220 WeakPolarHBondContact CA-O 3.41Å; I132-I222 HydrophobicContact CG2-CD1 3.59Å; I132-I222 HydrophobicContact CG2-CG1 4.08Å; I132-I269 HydrophobicContact CD1-CB 4.24Å; I132-I269 HydrophobicContact CD1-CG1 3.98Å; I132-I269 HydrophobicContact CD1-CG2 4.08Å; I132-H272 HydrophobicContact CD1-CB 3.98Å; I132-H272 HydrophobicContact CG1-CB 4.18Å
133L98.6Very high95.1Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-109.7106.5-170.7-55.9179000108.8Q116 L131 V219 T220 I221 I222 M238 Y242Q116-L133 HydrophobicContact CG-CD1 3.88Å; Q116-L133 HydrophobicContact CG-CD2 3.81Å; L131-L133 HydrophobicContact CB-CD2 4.22Å; L131-L133 HydrophobicContact CB-CG 4.32Å; L131-L133 HydrophobicContact CD2-CD2 4.34Å; L133-V219 HydrophobicContact CD1-CG1 3.74Å; L133-V219 HydrophobicContact CG-CG1 4.13Å; L133-T220 PolarHBondContact N-O 3.04Å; L133-I221 WeakPolarHBondContact O-CA 3.41Å; L133-I222 PolarHBondContact O-N 3.5Å; L133-M238 HydrophobicContact CB-CE 4.38Å; L133-M238 HydrophobicContact CD1-CE 3.47Å; L133-M238 VanDerWaalsContact CD1-CE 3.47Å; L133-Y242 HydrophobicContact CD1-CD2 4.36Å; L133-Y242 HydrophobicContact CD1-CE2 3.69Å
134C98.1Very high94.1Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-104.4112.7-174.3-178.60000110.6F106 G107 A108 S109 S136 I222 P257F106-C134 HydrophobicContact CE1-CB 3.86Å; F106-C134 HydrophobicContact CE2-CB 3.98Å; F106-C134 HydrophobicContact CZ-CB 3.35Å; G107-C134 PolarHBondContact O-N 2.95Å; A108-C134 VanDerWaalsContact CA-O 3.28Å; A108-C134 WeakPolarHBondContact CA-O 3.47Å; S109-C134 PolarHBondContact N-O 2.87Å; S109-C134 VanDerWaalsContact N-O 3.11Å; C134-S136 PolarHBondContact O-N 2.89Å; C134-I222 CarbonylContact C-O 3.56Å; C134-I222 WeakPolarHBondContact CA-O 3.44Å; C134-I222 HydrophobicContact CB-CB 4.38Å; C134-P257 VanDerWaalsContact SG-CG 3.59Å
135N95.5Very high93.1Very high8 Ų832 Ų324%0.04317%0.172CC..SBendtrans44.451.7-174.2-68.6-24000111.3S109 I222 V224 L230 G254 N255 P257S109-N135 WeakPolarHBondContact CA-O 2.95Å; S109-N135 PolarHBondContact N-O 3.36Å; N135-I222 PolarHBondContact N-O 3.3Å; N135-V224 PolarHBondContact OD1-N 3.09Å; N135-L230 VanDerWaalsContact C-CD1 3.44Å; N135-L230 VanDerWaalsContact O-CD1 3.23Å; N135-L230 WeakPolarHBondContact O-CD1 3.38Å; N135-G254 PolarHBondContact ND2-O 2.86Å; N135-N255 PolarHBondContact ND2-O 3.05Å; N135-P257 WeakPolarHBondContact ND2-CD 3.46Å
136S96.3Very high91.8Very high2 Ų229.6 Ų29.61%0.01415%0.153CC..  trans-111.1175.2-176.2-163.20000111.6S109 G112 F113 C134 L230S109-S136 PolarHBondContact O-OG 3.45Å; G112-S136 WeakPolarHBondContact CA-OG 3.33Å; F113-S136 PolarHBondContact N-OG 3.49Å; C134-S136 PolarHBondContact O-N 2.89Å; S136-L230 VanDerWaalsContact O-CD1 3.22Å; S136-L230 WeakPolarHBondContact O-CD1 3.37Å
137F96.3Very high90.2Very high1 Ų138 Ų380%0.00418%0.177CC..  trans-139.1163.3-176.657.3-89.8000109.6F113 Q116 D139 T140 I142 F143 N203 L230 M238F113-F137 HydrophobicContact CB-CD2 4.1Å; F113-F137 HydrophobicContact CB-CE1 4.3Å; F113-F137 HydrophobicContact CB-CE2 3.56Å; F113-F137 HydrophobicContact CB-CZ 3.67Å; F113-F137 AromaticContact CD1-CE2 3.95Å; F113-F137 HydrophobicContact CD1-CE2 3.95Å; F113-F137 HydrophobicContact CD1-CZ 4.38Å; F113-F137 AromaticContact CD2-CD2 3.83Å; F113-F137 HydrophobicContact CD2-CD2 3.83Å; F113-F137 AromaticContact CD2-CE2 3.65Å; F113-F137 HydrophobicContact CD2-CE2 3.65Å; F113-F137 WeakPolarHBondContact CD2-O 3.36Å; F113-F137 HydrophobicContact CE2-CD2 4.49Å; F113-F137 HydrophobicContact CE2-CE2 4.3Å; F113-F137 HydrophobicContact CG-CD2 4.05Å; F113-F137 AromaticContact CG-CE2 3.44Å; F113-F137 HydrophobicContact CG-CE2 3.44Å; F113-F137 VanDerWaalsContact CG-CE2 3.44Å; F113-F137 AromaticContact CG-CZ 3.99Å; F113-F137 HydrophobicContact CG-CZ 3.99Å; Q116-F137 PolarHBondContact NE2-O 3.06Å; F137-D139 WeakPolarHBondContact CD2-O 3.47Å; F137-T140 HydrophobicContact CE2-CG2 4Å; F137-I142 HydrophobicContact CB-CD1 3.62Å; F137-I142 HydrophobicContact CD1-CD1 4.48Å; F137-I142 HydrophobicContact CD2-CD1 4.27Å; F137-I142 HydrophobicContact CG-CD1 3.88Å; F137-F143 HydrophobicContact CD1-CE2 4.02Å; F137-F143 AromaticContact CD1-CZ 3.83Å; F137-F143 HydrophobicContact CD1-CZ 3.83Å; F137-F143 AromaticContact CD2-CE2 3.99Å; F137-F143 HydrophobicContact CD2-CE2 3.99Å; F137-F143 AromaticContact CE1-CE2 3.7Å; F137-F143 HydrophobicContact CE1-CE2 3.7Å; F137-F143 AromaticContact CE1-CZ 3.61Å; F137-F143 HydrophobicContact CE1-CZ 3.61Å; F137-F143 AromaticContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CZ 4.42Å; F137-F143 HydrophobicContact CG-CE2 4.17Å; F137-F143 HydrophobicContact CG-CZ 4.32Å; F137-F143 AromaticContact CZ-CE2 3.52Å; F137-F143 HydrophobicContact CZ-CE2 3.52Å; F137-F143 AromaticContact CZ-CZ 3.94Å; F137-F143 HydrophobicContact CZ-CZ 3.94Å; F137-N203 VanDerWaalsContact CZ-OD1 3.22Å; F137-N203 WeakPolarHBondContact CZ-OD1 3.32Å; F137-L230 HydrophobicContact CB-CD1 4.36Å; F137-L230 HydrophobicContact CB-CD2 4.34Å; F137-L230 HydrophobicContact CD1-CD1 4.34Å; F137-L230 HydrophobicContact CD1-CD2 4.02Å; F137-M238 VanDerWaalsContact CA-SD 3.58Å
138S95.1Very high89.2Confident4 Ų439 Ų393%0.02819%0.187CC..SBendtrans-116.6-10-178.851.40000113.8Y208 V209 M238S138-Y208 WeakPolarHBondContact O-CA 3.47Å; S138-Y208 WeakPolarHBondContact O-CD2 3.27Å; S138-V209 WeakPolarHBondContact O-CG2 3.46Å; S138-V209 PolarHBondContact O-N 3.41Å; S138-M238 WeakPolarHBondContact CB-SD 3.28Å; S138-M238 PolarHBondContact N-SD 3.11Å
139D93.7Very high88.3Confident49 Ų4938.7 Ų38.726%0.26219%0.186SC..BIsolated β-bridgetrans-133.9129177.7-167.5-12.4000109.5F137 S141 I142 Y208F137-D139 WeakPolarHBondContact CD2-O 3.47Å; D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 VanDerWaalsContact OD1-CB 3.25Å; D139-S141 WeakPolarHBondContact OD1-CB 3.26Å; D139-S141 PolarHBondContact OD1-N 2.89Å; D139-S141 PolarHBondContact OD1-OG 2.97Å; D139-S141 VanDerWaalsContact OD1-OG 3.12Å; D139-S141 PolarHBondContact OD2-OG 2.66Å; D139-I142 WeakPolarHBondContact O-CG1 3.36Å; D139-Y208 HydrophobicContact CB-CD2 3.87Å
140T91.6Very high87.5Confident1 Ų142.6 Ų42.61%0.00621%0.208CC..G310 helixtrans-78.2-14.2175.660.80000113F113 F137 I142 F143 N203 Q205 N206 S207F113-T140 HydrophobicContact CD1-CG2 4.26Å; F113-T140 HydrophobicContact CE1-CG2 3.57Å; F113-T140 HydrophobicContact CE2-CG2 4.15Å; F113-T140 HydrophobicContact CZ-CG2 3.51Å; F137-T140 HydrophobicContact CE2-CG2 4Å; T140-I142 PolarHBondContact O-N 3.21Å; T140-I142 VanDerWaalsContact O-N 3.08Å; T140-F143 WeakPolarHBondContact O-CD2 3.21Å; T140-F143 PolarHBondContact O-N 3.24Å; T140-F143 VanDerWaalsContact O-N 3.1Å; T140-N203 WeakPolarHBondContact CB-O 3.28Å; T140-N203 WeakPolarHBondContact CG2-O 3.46Å; T140-Q205 WeakPolarHBondContact CB-O 3.11Å; T140-Q205 WeakPolarHBondContact CG2-O 3.36Å; T140-Q205 PolarHBondContact OG1-O 3.19Å; T140-N206 WeakPolarHBondContact OG1-CA 3.22Å; T140-S207 PolarHBondContact N-O 3.28Å; T140-S207 VanDerWaalsContact N-O 3.13Å; T140-S207 PolarHBondContact OG1-N 3.45Å; T140-S207 PolarHBondContact OG1-O 3.35Å
141S86.8Confident87Confident48 Ų4844.7 Ų44.734%0.33622%0.222SC..G310 helixtrans-58.6-25.4-178.573.80000112.8D139 F143 H144D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 VanDerWaalsContact OD1-CB 3.25Å; D139-S141 WeakPolarHBondContact OD1-CB 3.26Å; D139-S141 PolarHBondContact OD1-N 2.89Å; D139-S141 PolarHBondContact OD1-OG 2.97Å; D139-S141 VanDerWaalsContact OD1-OG 3.12Å; D139-S141 PolarHBondContact OD2-OG 2.66Å; S141-F143 PolarHBondContact O-N 3.06Å; S141-F143 VanDerWaalsContact O-N 3.12Å; S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.11Å
142I84.7Confident86.7Confident54 Ų5444.7 Ų44.728%0.27722%0.223SC..G310 helixtrans-58-23.2176.870179.9000113.9F137 D139 T140 H144 L230 A234F137-I142 HydrophobicContact CB-CD1 3.62Å; F137-I142 HydrophobicContact CD1-CD1 4.48Å; F137-I142 HydrophobicContact CD2-CD1 4.27Å; F137-I142 HydrophobicContact CG-CD1 3.88Å; D139-I142 WeakPolarHBondContact O-CG1 3.36Å; T140-I142 PolarHBondContact O-N 3.21Å; T140-I142 VanDerWaalsContact O-N 3.08Å; I142-H144 PolarHBondContact O-CD2 3.33Å; I142-L230 HydrophobicContact CD1-CD2 3.85Å; I142-A234 HydrophobicContact CD1-CB 4.03Å; I142-A234 HydrophobicContact CG2-CB 4.48Å
143F82Confident86.5Confident37 Ų3751.7 Ų51.716%0.16225%0.249CC..G310 helixtrans-86-9.7-178.4-62.8-70000113.4F137 T140 S141 Q145 N203 L230F137-F143 HydrophobicContact CD1-CE2 4.02Å; F137-F143 AromaticContact CD1-CZ 3.83Å; F137-F143 HydrophobicContact CD1-CZ 3.83Å; F137-F143 AromaticContact CD2-CE2 3.99Å; F137-F143 HydrophobicContact CD2-CE2 3.99Å; F137-F143 AromaticContact CE1-CE2 3.7Å; F137-F143 HydrophobicContact CE1-CE2 3.7Å; F137-F143 AromaticContact CE1-CZ 3.61Å; F137-F143 HydrophobicContact CE1-CZ 3.61Å; F137-F143 AromaticContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CE2 3.68Å; F137-F143 HydrophobicContact CE2-CZ 4.42Å; F137-F143 HydrophobicContact CG-CE2 4.17Å; F137-F143 HydrophobicContact CG-CZ 4.32Å; F137-F143 AromaticContact CZ-CE2 3.52Å; F137-F143 HydrophobicContact CZ-CE2 3.52Å; F137-F143 AromaticContact CZ-CZ 3.94Å; F137-F143 HydrophobicContact CZ-CZ 3.94Å; T140-F143 WeakPolarHBondContact O-CD2 3.21Å; T140-F143 PolarHBondContact O-N 3.24Å; T140-F143 VanDerWaalsContact O-N 3.1Å; S141-F143 PolarHBondContact O-N 3.06Å; S141-F143 VanDerWaalsContact O-N 3.12Å; F143-Q145 WeakPolarHBondContact O-CB 3.46Å; F143-Q145 VanDerWaalsContact O-CG 3.29Å; F143-Q145 WeakPolarHBondContact O-CG 3.34Å; F143-Q145 PolarHBondContact O-N 2.59Å; F143-Q145 PolarHBondContact O-NE2 3.35Å; F143-N203 WeakPolarHBondContact CD2-ND2 3.4Å; F143-N203 WeakPolarHBondContact CD2-O 3.31Å; F143-N203 VanDerWaalsContact CE2-ND2 3.32Å; F143-N203 WeakPolarHBondContact CE2-ND2 3.28Å; F143-N203 WeakPolarHBondContact CZ-ND2 3.43Å; F143-L230 HydrophobicContact CE1-CD2 4.36Å; F143-L230 HydrophobicContact CZ-CD2 4.08Å
144H76.7Confident86.2Confident170 Ų17057.2 Ų57.279%0.78728%0.278SS*.  trans48.131.2178.8-59.9-68.4000114.5S141 I142S141-H144 PolarHBondContact O-N 2.91Å; S141-H144 VanDerWaalsContact O-N 3.11Å; I142-H144 PolarHBondContact O-CD2 3.33Å
145Q75.6Confident86Confident64 Ų6459 Ų5930%0.29929%0.287SS..  trans-125.621.2-170.4-86.2174.475.400113F143 W147 T148 A149 C204F143-Q145 WeakPolarHBondContact O-CB 3.46Å; F143-Q145 VanDerWaalsContact O-CG 3.29Å; F143-Q145 WeakPolarHBondContact O-CG 3.34Å; F143-Q145 PolarHBondContact O-N 2.59Å; F143-Q145 PolarHBondContact O-NE2 3.35Å; Q145-W147 VanDerWaalsContact C-N 3.31Å; Q145-W147 PolarHBondContact O-N 2.86Å; Q145-T148 WeakPolarHBondContact CA-OG1 3.43Å; Q145-T148 VanDerWaalsContact CB-OG1 3.28Å; Q145-T148 WeakPolarHBondContact CB-OG1 3.2Å; Q145-T148 PolarHBondContact O-N 3.17Å; Q145-T148 VanDerWaalsContact O-N 3.13Å; Q145-T148 PolarHBondContact O-OG1 3.33Å; Q145-A149 PolarHBondContact O-N 3.16Å; Q145-C204 HydrophobicContact CB-CB 4.07Å
146T69.6Low86.1Confident38 Ų3861.8 Ų61.823%0.23331%0.305CS..Hα-helixtrans-57.4-42.8-177.5-39.80000112.7T148 A149 C204 N206T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 3.22Å; T146-A149 VanDerWaalsContact O-CB 3.26Å; T146-A149 WeakPolarHBondContact O-CB 3.31Å; T146-A149 PolarHBondContact O-N 3.1Å; T146-C204 WeakPolarHBondContact CA-O 3.41Å; T146-N206 WeakPolarHBondContact CB-OD1 3.2Å; T146-N206 HydrophobicContact CG2-CB 4Å; T146-N206 WeakPolarHBondContact CG2-ND2 3.35Å; T146-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T146-N206 PolarHBondContact OG1-OD1 3.19Å
147W62.2Low86Confident239 Ų23963.3 Ų63.391%0.90532%0.318SS*.Hα-helixtrans-67.5-33.4-179.7-66.893.6000112.4Q145 A149Q145-W147 VanDerWaalsContact C-N 3.31Å; Q145-W147 PolarHBondContact O-N 2.86Å; W147-A149 VanDerWaalsContact C-N 3.35Å
148T77.5Confident85.9Confident58 Ų5870.3 Ų70.336%0.35635%0.348SS..Hα-helixtrans-77.5-20.6175.747.40000112.8Q145 T146 N150 S151 F152Q145-T148 WeakPolarHBondContact CA-OG1 3.43Å; Q145-T148 VanDerWaalsContact CB-OG1 3.28Å; Q145-T148 WeakPolarHBondContact CB-OG1 3.2Å; Q145-T148 PolarHBondContact O-N 3.17Å; Q145-T148 VanDerWaalsContact O-N 3.13Å; Q145-T148 PolarHBondContact O-OG1 3.33Å; T146-T148 VanDerWaalsContact C-N 3.31Å; T146-T148 PolarHBondContact O-N 3.22Å; T148-N150 PolarHBondContact O-N 2.87Å; T148-S151 PolarHBondContact O-N 3.24Å; T148-S151 PolarHBondContact O-OG 3Å; T148-S151 VanDerWaalsContact O-OG 3.08Å; T148-F152 PolarHBondContact O-N 2.83Å
149A79.7Confident85.8Confident1 Ų173 Ų731%0.00836%0.362CS..Hα-helixtrans-57.1-36.6179.300000112.8Q145 T146 W147 S151 F152 T201 C204Q145-A149 PolarHBondContact O-N 3.16Å; T146-A149 VanDerWaalsContact O-CB 3.26Å; T146-A149 WeakPolarHBondContact O-CB 3.31Å; T146-A149 PolarHBondContact O-N 3.1Å; W147-A149 VanDerWaalsContact C-N 3.35Å; A149-S151 VanDerWaalsContact C-N 3.26Å; A149-S151 PolarHBondContact O-N 2.74Å; A149-F152 HydrophobicContact CB-CD2 4.5Å; A149-F152 HydrophobicContact CB-CE2 4.31Å; A149-T201 PolarHBondContact O-OG1 3.45Å; A149-C204 HydrophobicContact CB-CB 3.81Å
150N81.2Confident85.8Confident120 Ų12070.6 Ų70.664%0.64235%0.35SS*.THydrogen-bonded Turntrans-76.1-9.4-178.8-64.8-21.1000113.9T148 W153T148-N150 PolarHBondContact O-N 2.87Å; N150-W153 VanDerWaalsContact O-CD1 3.29Å; N150-W153 PolarHBondContact O-NE1 2.8Å
151S89.3Confident86Confident43 Ų4371.9 Ų71.930%0.30136%0.355SS..THydrogen-bonded Turntrans-117.2-2.5-177.261.90000114.2T148 A149 W153 L154T148-S151 PolarHBondContact O-N 3.24Å; T148-S151 PolarHBondContact O-OG 3Å; T148-S151 VanDerWaalsContact O-OG 3.08Å; A149-S151 VanDerWaalsContact C-N 3.26Å; A149-S151 PolarHBondContact O-N 2.74Å; S151-W153 PolarHBondContact O-N 3.5Å; S151-W153 VanDerWaalsContact O-N 3.14Å; S151-L154 WeakPolarHBondContact O-CB 3.47Å; S151-L154 PolarHBondContact O-N 3.01Å
152F92.1Very high86.3Confident1 Ų176.5 Ų76.50%0.00437%0.369CS..G310 helixtrans-56.1-33.2179.4-74.5-48.9000113.5T148 A149 L154 M155 L160 I163 A197 L200 C204T148-F152 PolarHBondContact O-N 2.83Å; A149-F152 HydrophobicContact CB-CD2 4.5Å; A149-F152 HydrophobicContact CB-CE2 4.31Å; F152-L154 PolarHBondContact O-N 3.27Å; F152-M155 HydrophobicContact CD1-SD 3.51Å; F152-M155 VanDerWaalsContact CD1-SD 3.51Å; F152-M155 HydrophobicContact CE1-SD 4Å; F152-M155 WeakPolarHBondContact O-CB 3.31Å; F152-M155 PolarHBondContact O-N 2.92Å; F152-L160 HydrophobicContact CB-CD2 4.14Å; F152-L160 HydrophobicContact CD1-CD2 3.7Å; F152-L160 HydrophobicContact CG-CD2 4.27Å; F152-I163 HydrophobicContact CE1-CD1 3.92Å; F152-A197 HydrophobicContact CB-CB 4.18Å; F152-L200 HydrophobicContact CD1-CB 4.3Å; F152-L200 HydrophobicContact CD1-CD1 4.42Å; F152-L200 HydrophobicContact CD2-CB 3.59Å; F152-L200 HydrophobicContact CE1-CB 4.4Å; F152-L200 HydrophobicContact CE1-CD1 4.49Å; F152-L200 HydrophobicContact CE2-CB 3.67Å; F152-L200 WeakPolarHBondContact CE2-O 3.39Å; F152-L200 HydrophobicContact CG-CB 3.96Å; F152-L200 HydrophobicContact CZ-CB 4.1Å; F152-C204 HydrophobicContact CE2-CB 4.05Å
153W93.4Very high86.6Confident148 Ų14876 Ų7656%0.56137%0.366SS*.G310 helixtrans-62.1-25.9177.472.3-89.5000113.5W82 N150 S151 Q193W82-W153 HydrophobicContact CH2-CB 3.6Å; W82-W153 HydrophobicContact CZ2-CB 4.45Å; W82-W153 HydrophobicContact CZ3-CB 3.86Å; N150-W153 VanDerWaalsContact O-CD1 3.29Å; N150-W153 PolarHBondContact O-NE1 2.8Å; S151-W153 PolarHBondContact O-N 3.5Å; S151-W153 VanDerWaalsContact O-N 3.14Å; W153-Q193 PolarHBondContact O-NE2 3.05Å
154L93.6Very high87.1Confident115 Ų11574.5 Ų74.560%0.60236%0.36SS*.G310 helixtrans-82.5-16.3175.7-69.3167.8000113.1S151 F152S151-L154 WeakPolarHBondContact O-CB 3.47Å; S151-L154 PolarHBondContact O-N 3.01Å; F152-L154 PolarHBondContact O-N 3.27Å
155M94.3Very high87.7Confident38 Ų3869.3 Ų69.319%0.18734%0.338CS..SBendtrans-81136-171.8-62.5179.572.700110.9F152 L159 L160 I163 Q193F152-M155 HydrophobicContact CD1-SD 3.51Å; F152-M155 VanDerWaalsContact CD1-SD 3.51Å; F152-M155 HydrophobicContact CE1-SD 4Å; F152-M155 WeakPolarHBondContact O-CB 3.31Å; F152-M155 PolarHBondContact O-N 2.92Å; M155-L159 HydrophobicContact CE-CB 4.42Å; M155-L159 HydrophobicContact CE-CD2 3.24Å; M155-L159 HydrophobicContact CE-CG 3.52Å; M155-L160 HydrophobicContact CB-CD2 3.78Å; M155-L160 HydrophobicContact CB-CG 4.03Å; M155-L160 HydrophobicContact SD-CD2 4.22Å; M155-I163 HydrophobicContact CE-CD1 3.72Å; M155-I163 HydrophobicContact SD-CD1 4.44Å; M155-Q193 PolarHBondContact O-NE2 3.38Å
156P95.7Very high88.3Confident67 Ų6768 Ų6844%0.43534%0.341SS..  trans-60.6148.5174.6-24.334.2000112.5F158 L159 L160P156-F158 VanDerWaalsContact C-N 3.28Å; P156-F158 HydrophobicContact CB-CD1 3.63Å; P156-F158 HydrophobicContact CB-CE1 3.44Å; P156-F158 VanDerWaalsContact CB-CE1 3.44Å; P156-F158 HydrophobicContact CB-CZ 4.34Å; P156-F158 HydrophobicContact CG-CE1 3.95Å; P156-F158 PolarHBondContact O-N 3.16Å; P156-F158 VanDerWaalsContact O-N 3.15Å; P156-L159 PolarHBondContact O-N 3.13Å; P156-L160 PolarHBondContact O-N 3.34Å
157A94.6Very high89Confident34 Ų3470 Ų7028%0.28135%0.351SS..Hα-helixtrans-51-43.4-177.200000113.6L159 L160 K161 Q193A157-L159 VanDerWaalsContact C-N 3.25Å; A157-L159 PolarHBondContact O-N 2.91Å; A157-L160 PolarHBondContact O-N 3.46Å; A157-K161 WeakPolarHBondContact O-CG 3.35Å; A157-K161 PolarHBondContact O-N 3.37Å; A157-Q193 HydrophobicContact CB-CB 3.94Å; A157-Q193 HydrophobicContact CB-CG 4.19Å
158F94Very high90.2Very high147 Ų14759.6 Ų59.665%0.64531%0.312SS*.Hα-helixtrans-62.8-32.3-178.677.2-94.9000112.6P156 K162P156-F158 VanDerWaalsContact C-N 3.28Å; P156-F158 HydrophobicContact CB-CD1 3.63Å; P156-F158 HydrophobicContact CB-CE1 3.44Å; P156-F158 VanDerWaalsContact CB-CE1 3.44Å; P156-F158 HydrophobicContact CB-CZ 4.34Å; P156-F158 HydrophobicContact CG-CE1 3.95Å; P156-F158 PolarHBondContact O-N 3.16Å; P156-F158 VanDerWaalsContact O-N 3.15Å; F158-K162 WeakPolarHBondContact O-CB 3.34Å; F158-K162 PolarHBondContact O-N 2.87Å
159L93.6Very high90.3Very high60 Ų6058.2 Ų58.231%0.31431%0.306SS..Hα-helixtrans-76.8-39.8-179.8-172.758000110.6M155 P156 A157 K162 I163M155-L159 HydrophobicContact CE-CB 4.42Å; M155-L159 HydrophobicContact CE-CD2 3.24Å; M155-L159 HydrophobicContact CE-CG 3.52Å; P156-L159 PolarHBondContact O-N 3.13Å; A157-L159 VanDerWaalsContact C-N 3.25Å; A157-L159 PolarHBondContact O-N 2.91Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.47Å
160L94.8Very high90Very high0 Ų065.8 Ų65.80%034%0.339CS..Hα-helixtrans-60.4-46.6172.2-62.2173.5000111F152 M155 P156 A157 K162 I163 V164 Q193 L196 A197 L200F152-L160 HydrophobicContact CB-CD2 4.14Å; F152-L160 HydrophobicContact CD1-CD2 3.7Å; F152-L160 HydrophobicContact CG-CD2 4.27Å; M155-L160 HydrophobicContact CB-CD2 3.78Å; M155-L160 HydrophobicContact CB-CG 4.03Å; M155-L160 HydrophobicContact SD-CD2 4.22Å; P156-L160 PolarHBondContact O-N 3.34Å; A157-L160 PolarHBondContact O-N 3.46Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.13Å; L160-I163 WeakPolarHBondContact O-CB 3.39Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 2.97Å; L160-V164 VanDerWaalsContact O-N 3.11Å; L160-Q193 HydrophobicContact CD1-CG 3.98Å; L160-L196 HydrophobicContact CB-CB 4.16Å; L160-L196 HydrophobicContact CB-CD1 4.49Å; L160-L196 HydrophobicContact CD1-CB 4.14Å; L160-A197 HydrophobicContact CD1-CB 3.85Å; L160-L200 HydrophobicContact CB-CD1 4.09Å; L160-L200 HydrophobicContact CD2-CD1 3.71Å; L160-L200 HydrophobicContact CG-CD1 4.47Å
161K94.8Very high89.9Confident27 Ų2762.7 Ų62.712%0.11734%0.336CS..Hα-helixtrans-57.4-43.4174.2-71.6176.8174.2-177.90111.3A157 I163 V164 L165 L188 E189 L196A157-K161 WeakPolarHBondContact O-CG 3.35Å; A157-K161 PolarHBondContact O-N 3.37Å; K161-I163 VanDerWaalsContact C-N 3.35Å; K161-I163 PolarHBondContact O-N 3.17Å; K161-V164 PolarHBondContact O-N 3.46Å; K161-L165 WeakPolarHBondContact O-CB 3.45Å; K161-L165 VanDerWaalsContact O-CG 3.26Å; K161-L165 WeakPolarHBondContact O-CG 3.46Å; K161-L165 PolarHBondContact O-N 3.25Å; K161-L188 HydrophobicContact CB-CD2 4.42Å; K161-L188 WeakPolarHBondContact CE-O 3.31Å; K161-L188 HydrophobicContact CG-CD1 4.2Å; K161-L188 HydrophobicContact CG-CG 4.16Å; K161-E189 PolarHBondContact NZ-O 3.36Å; K161-E189 IonicContact NZ-OE2 3.65Å; K161-E189 PolarHBondContact NZ-OE2 2.79Å; K161-L196 HydrophobicContact CD-CD1 4.46Å; K161-L196 HydrophobicContact CG-CD1 3.54Å
162K92.9Very high89.6Confident146 Ų14667.5 Ų67.564%0.63537%0.366SS*.Hα-helixtrans-61.4-38.5176.5-173.5177.6-180179.20113.1F158 L159 L160 G166F158-K162 WeakPolarHBondContact O-CB 3.34Å; F158-K162 PolarHBondContact O-N 2.87Å; L159-K162 WeakPolarHBondContact O-CB 3.44Å; L159-K162 PolarHBondContact O-N 3.37Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.13Å; K162-G166 PolarHBondContact O-N 3.12Å
163I91.6Very high89.6Confident42 Ų4269.9 Ų69.922%0.21538%0.38CS..Hα-helixtrans-61.9-49175-68.3168.4000109.9F152 M155 L159 L160 K161 G166 L200F152-I163 HydrophobicContact CE1-CD1 3.92Å; M155-I163 HydrophobicContact CE-CD1 3.72Å; M155-I163 HydrophobicContact SD-CD1 4.44Å; L159-I163 WeakPolarHBondContact O-CG1 3.38Å; L159-I163 PolarHBondContact O-N 3.47Å; L160-I163 WeakPolarHBondContact O-CB 3.39Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; K161-I163 VanDerWaalsContact C-N 3.35Å; K161-I163 PolarHBondContact O-N 3.17Å; I163-G166 PolarHBondContact O-N 3.5Å; I163-G166 VanDerWaalsContact O-N 3.15Å; I163-L200 HydrophobicContact CG2-CD2 4.21Å
164V91.3Very high89.5Confident7 Ų765.2 Ų65.24%0.04237%0.366CS..Hα-helixtrans-62.6-46.1-179.8178.10000111.6V52 L160 K161 G166 N167 F168 L188 L196 L200V52-V164 HydrophobicContact CG1-CG1 4.49Å; V52-V164 HydrophobicContact CG1-CG2 3.7Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 2.97Å; L160-V164 VanDerWaalsContact O-N 3.11Å; K161-V164 PolarHBondContact O-N 3.46Å; V164-G166 PolarHBondContact O-N 3.29Å; V164-N167 PolarHBondContact O-N 2.91Å; V164-F168 HydrophobicContact CG1-CE1 4.07Å; V164-F168 WeakPolarHBondContact O-CD1 3.26Å; V164-L188 HydrophobicContact CB-CD1 4.28Å; V164-L188 HydrophobicContact CB-CD2 4.11Å; V164-L188 HydrophobicContact CG1-CD1 4.06Å; V164-L188 HydrophobicContact CG1-CD2 3.93Å; V164-L196 HydrophobicContact CG2-CD2 4.49Å; V164-L200 HydrophobicContact CG2-CD1 4.14Å; V164-L200 HydrophobicContact CG2-CD2 4.06Å; V164-L200 HydrophobicContact CG2-CG 4.33Å
165L90.4Very high89.6Confident60 Ų6063.1 Ų63.131%0.31436%0.36SS..Hα-helixtrans-63.4-27.3176.1-70.2171.3000112.7K161 N167 F168 V185 L188K161-L165 WeakPolarHBondContact O-CB 3.45Å; K161-L165 VanDerWaalsContact O-CG 3.26Å; K161-L165 WeakPolarHBondContact O-CG 3.46Å; K161-L165 PolarHBondContact O-N 3.25Å; L165-N167 PolarHBondContact O-N 3.4Å; L165-N167 VanDerWaalsContact O-N 3.17Å; L165-F168 HydrophobicContact CD2-CD2 4.18Å; L165-F168 HydrophobicContact CD2-CE2 4.15Å; L165-F168 WeakPolarHBondContact O-CB 3.46Å; L165-F168 PolarHBondContact O-N 2.98Å; L165-F168 VanDerWaalsContact O-N 3.07Å; L165-V185 HydrophobicContact CD2-CG2 3.77Å; L165-L188 HydrophobicContact CD1-CD2 4.37Å; L165-L188 HydrophobicContact CD2-CD2 3.72Å; L165-L188 HydrophobicContact CG-CD2 3.65Å
166G87.2Confident89.6Confident36 Ų3667.7 Ų67.737%0.37138%0.378SS..Hα-helixtrans-57.8-27175.900000113.5K162 I163 V164K162-G166 PolarHBondContact O-N 3.12Å; I163-G166 PolarHBondContact O-N 3.5Å; I163-G166 VanDerWaalsContact O-N 3.15Å; V164-G166 PolarHBondContact O-N 3.29Å
167N85.1Confident89.5Confident81 Ų8165.1 Ų65.143%0.43336%0.361SS..THydrogen-bonded Turntrans-89.2-4.3180-65-30.5000113.8V164 L165 A229 N255V164-N167 PolarHBondContact O-N 2.91Å; L165-N167 PolarHBondContact O-N 3.4Å; L165-N167 VanDerWaalsContact O-N 3.17Å; N167-A229 HydrophobicContact CB-CB 4.18Å; N167-N255 PolarHBondContact O-ND2 2.95Å
168F86.8Confident89.5Confident20 Ų2065 Ų659%0.08836%0.36CS..SBendtrans-78.6152.6178.1-73.830.1000109.5V164 L165 K170 I181 M184 V185 F256V164-F168 HydrophobicContact CG1-CE1 4.07Å; V164-F168 WeakPolarHBondContact O-CD1 3.26Å; L165-F168 HydrophobicContact CD2-CD2 4.18Å; L165-F168 HydrophobicContact CD2-CE2 4.15Å; L165-F168 WeakPolarHBondContact O-CB 3.46Å; L165-F168 PolarHBondContact O-N 2.98Å; L165-F168 VanDerWaalsContact O-N 3.07Å; F168-K170 PolarHBondContact O-N 2.77Å; F168-I181 HydrophobicContact CD2-CG2 4Å; F168-M184 HydrophobicContact CE2-CB 4.02Å; F168-M184 HydrophobicContact CZ-CB 4.18Å; F168-V185 HydrophobicContact CD2-CG2 4.2Å; F168-V185 HydrophobicContact CE2-CG2 3.9Å; F168-F256 HydrophobicContact CD1-CZ 4.08Å; F168-F256 HydrophobicContact CD2-CE2 4.05Å; F168-F256 HydrophobicContact CD2-CZ 4.31Å; F168-F256 HydrophobicContact CE1-CE2 4.31Å; F168-F256 AromaticContact CE1-CZ 3.62Å; F168-F256 HydrophobicContact CE1-CZ 3.62Å; F168-F256 AromaticContact CE2-CE2 3.8Å; F168-F256 HydrophobicContact CE2-CE2 3.8Å; F168-F256 AromaticContact CE2-CZ 3.84Å; F168-F256 HydrophobicContact CE2-CZ 3.84Å; F168-F256 HydrophobicContact CG-CE2 4.41Å; F168-F256 HydrophobicContact CG-CZ 4.42Å; F168-F256 AromaticContact CZ-CE2 3.95Å; F168-F256 HydrophobicContact CZ-CE2 3.95Å; F168-F256 AromaticContact CZ-CZ 3.48Å; F168-F256 HydrophobicContact CZ-CZ 3.48Å; F168-F256 VanDerWaalsContact CZ-CZ 3.48Å
169A79.3Confident89.5Confident29 Ų2959.6 Ų59.624%0.2434%0.338CS..  trans-57.4132.5-179.800000110.4V173 I181A169-V173 HydrophobicContact CB-CG1 4.15Å; A169-I181 HydrophobicContact CB-CD1 4.27Å
170K75Confident89.7Confident161 Ų16156.8 Ų56.870%0.732%0.323SS*.  trans-110.9117.2176.1-65.2177.5-174.1169.20108.1F168F168-K170 PolarHBondContact O-N 2.77Å
171G79.3Confident89.7Confident55 Ų5558.2 Ų58.257%0.56733%0.33SS*.SBendtrans125.4-173.4178.600000113.1V173G171-V173 PolarHBondContact O-N 2.66Å
172P82.4Confident89.7Confident143 Ų14361.2 Ų61.293%0.92935%0.348SS*.  trans-64126-178.8-18.931.9000111.2
173V90.9Very high89.9Confident51 Ų5154.3 Ų54.331%0.30932%0.318SS..  trans-125.2161.3171.7-63.50000109.1A169 G171 M177 A178 I181A169-V173 HydrophobicContact CB-CG1 4.15Å; G171-V173 PolarHBondContact O-N 2.66Å; V173-M177 HydrophobicContact CB-CB 3.9Å; V173-M177 HydrophobicContact CB-CE 4.34Å; V173-M177 HydrophobicContact CG1-CE 4.11Å; V173-M177 HydrophobicContact CG2-CB 4.09Å; V173-A178 HydrophobicContact CG2-CB 3.94Å; V173-I181 HydrophobicContact CG2-CD1 4.35Å
174D92.8Very high90.1Very high50 Ų5052.3 Ų52.327%0.26731%0.307SS..  trans-68.1158.6174.37887.7000111.5K176 M177 A178 R261D174-K176 VanDerWaalsContact C-N 3.29Å; D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 VanDerWaalsContact O-N 3.17Å; D174-K176 WeakPolarHBondContact OD1-CB 3.3Å; D174-K176 PolarHBondContact OD1-N 3.24Å; D174-M177 WeakPolarHBondContact O-CB 3.24Å; D174-M177 PolarHBondContact O-N 2.89Å; D174-M177 PolarHBondContact OD1-N 2.88Å; D174-M177 WeakPolarHBondContact OD2-CG 3.26Å; D174-A178 PolarHBondContact O-N 3.3Å; D174-R261 IonicContact OD1-CZ 3.39Å; D174-R261 IonicContact OD1-NH1 2.68Å; D174-R261 PolarHBondContact OD1-NH1 3.18Å; D174-R261 IonicContact OD1-NH2 3.58Å; D174-R261 IonicContact OD2-CZ 2.57Å; D174-R261 IonicContact OD2-NH1 3.97Å; D174-R261 IonicContact OD2-NH2 3.99Å; D174-R261 PolarHBondContact OD2-NH2 3.18Å
175P94Very high90.3Very high71 Ų7154 Ų5446%0.46132%0.318SS..Hα-helixtrans-54-39.2-174.7-29.636.6000114.7M1 M177 A178 D179M1-P175 HydrophobicContact CG-CB 4.39Å; M1-P175 HydrophobicContact SD-CB 4.03Å; P175-M177 VanDerWaalsContact C-N 3.32Å; P175-M177 PolarHBondContact O-N 2.97Å; P175-A178 WeakPolarHBondContact O-CB 3.49Å; P175-A178 PolarHBondContact O-N 2.9Å; P175-D179 VanDerWaalsContact O-CG 3.26Å; P175-D179 PolarHBondContact O-N 3.47Å
176K94.2Very high90.5Very high134 Ų13453.3 Ų53.358%0.58332%0.315SS*.Hα-helixtrans-69.8-32.9-179.3-64.3-175175.9-175.20111.9D174 A180 C260D174-K176 VanDerWaalsContact C-N 3.29Å; D174-K176 PolarHBondContact O-N 3.03Å; D174-K176 VanDerWaalsContact O-N 3.17Å; D174-K176 WeakPolarHBondContact OD1-CB 3.3Å; D174-K176 PolarHBondContact OD1-N 3.24Å; K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.32Å; K176-A180 VanDerWaalsContact O-N 3.1Å; K176-C260 HydrophobicContact CB-CB 4.18Å; K176-C260 VanDerWaalsContact O-CB 3.29Å; K176-C260 WeakPolarHBondContact O-CB 3.41Å
177M94.6Very high90.9Very high14 Ų1452.2 Ų52.27%0.06930%0.299CS..Hα-helixtrans-70.6-38.2173.7-75.4177.263.900111.3V173 D174 P175 A180 I181 D226 C260V173-M177 HydrophobicContact CB-CB 3.9Å; V173-M177 HydrophobicContact CB-CE 4.34Å; V173-M177 HydrophobicContact CG1-CE 4.11Å; V173-M177 HydrophobicContact CG2-CB 4.09Å; D174-M177 WeakPolarHBondContact O-CB 3.24Å; D174-M177 PolarHBondContact O-N 2.89Å; D174-M177 PolarHBondContact OD1-N 2.88Å; D174-M177 WeakPolarHBondContact OD2-CG 3.26Å; P175-M177 VanDerWaalsContact C-N 3.32Å; P175-M177 PolarHBondContact O-N 2.97Å; M177-A180 PolarHBondContact O-N 3.05Å; M177-I181 WeakPolarHBondContact O-CB 2.99Å; M177-I181 VanDerWaalsContact O-CG1 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.39Å; M177-I181 PolarHBondContact O-N 2.96Å; M177-D226 WeakPolarHBondContact CE-OD2 3.21Å; M177-C260 HydrophobicContact CG-CB 3.95Å
178A94.5Very high91.4Very high32 Ų3248.3 Ų48.326%0.26428%0.278SS..Hα-helixtrans-60.9-50.517300000111.2V173 D174 P175 A180 I181 D182V173-A178 HydrophobicContact CG2-CB 3.94Å; D174-A178 PolarHBondContact O-N 3.3Å; P175-A178 WeakPolarHBondContact O-CB 3.49Å; P175-A178 PolarHBondContact O-N 2.9Å; A178-A180 VanDerWaalsContact C-N 3.27Å; A178-A180 PolarHBondContact O-N 2.87Å; A178-I181 WeakPolarHBondContact O-CB 3.47Å; A178-I181 PolarHBondContact O-N 3.25Å; A178-D182 PolarHBondContact O-N 3.48Å
179D95.1Very high91.8Very high32 Ų3252 Ų5217%0.17130%0.296CS..Hα-helixtrans-58.3-38.9178-66.1-28.3000111.9I4 P175 F183I4-D179 HydrophobicContact CD1-CB 4.37Å; I4-D179 HydrophobicContact CG1-CB 4.2Å; P175-D179 VanDerWaalsContact O-CG 3.26Å; P175-D179 PolarHBondContact O-N 3.47Å; D179-F183 WeakPolarHBondContact O-CB 3.19Å; D179-F183 PolarHBondContact O-N 2.95Å
180A96.1Very high92.6Very high1 Ų154.3 Ų54.31%0.00831%0.31CS..Hα-helixtrans-67.8-40.4175.500000112.7I4 K176 M177 A178 M184 F256 L259 C260I4-A180 HydrophobicContact CD1-CB 4.49Å; K176-A180 WeakPolarHBondContact O-CB 3.43Å; K176-A180 PolarHBondContact O-N 3.32Å; K176-A180 VanDerWaalsContact O-N 3.1Å; M177-A180 PolarHBondContact O-N 3.05Å; A178-A180 VanDerWaalsContact C-N 3.27Å; A178-A180 PolarHBondContact O-N 2.87Å; A180-M184 WeakPolarHBondContact O-CB 3.44Å; A180-M184 VanDerWaalsContact O-CG 3.25Å; A180-M184 WeakPolarHBondContact O-CG 3.37Å; A180-M184 PolarHBondContact O-N 2.89Å; A180-F256 HydrophobicContact CB-CB 4.46Å; A180-L259 HydrophobicContact CB-CB 3.64Å; A180-L259 HydrophobicContact CB-CD1 4.24Å; A180-C260 HydrophobicContact CB-CB 3.88Å
181I95.3Very high93.6Very high30 Ų3046.9 Ų46.915%0.15428%0.278CS..Hα-helixtrans-62.5-50.3175.3-76.1165.7000109.9F168 A169 V173 M177 A178 F183 M184 V185 F256F168-I181 HydrophobicContact CD2-CG2 4Å; A169-I181 HydrophobicContact CB-CD1 4.27Å; V173-I181 HydrophobicContact CG2-CD1 4.35Å; M177-I181 WeakPolarHBondContact O-CB 2.99Å; M177-I181 VanDerWaalsContact O-CG1 3.29Å; M177-I181 WeakPolarHBondContact O-CG1 3.39Å; M177-I181 PolarHBondContact O-N 2.96Å; A178-I181 WeakPolarHBondContact O-CB 3.47Å; A178-I181 PolarHBondContact O-N 3.25Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.38Å; I181-M184 CarbonylContact O-C 3.35Å; I181-M184 PolarHBondContact O-N 3.04Å; I181-V185 HydrophobicContact CG2-CG2 4.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.2Å; I181-V185 PolarHBondContact O-N 3.41Å; I181-F256 HydrophobicContact CG1-CD2 4.24Å; I181-F256 HydrophobicContact CG1-CE2 4.22Å
182D95Very high94.4Very high90 Ų9046.6 Ų46.648%0.48127%0.267SS..Hα-helixtrans-60-42-179-71.3-18.7000111.5A178 M184 V185 D186A178-D182 PolarHBondContact O-N 3.48Å; D182-M184 PolarHBondContact O-N 2.85Å; D182-V185 PolarHBondContact O-N 3.41Å; D182-D186 PolarHBondContact O-N 2.92Å
183F96.6Very high95.1Very high1 Ų142.8 Ų42.80%0.00424%0.237CC..Hα-helixtrans-61.5-42.6173.8-174.6-107.1000112.8I4 K5 Y10 F60 D179 I181 V185 D186 R187 L259I4-F183 HydrophobicContact CB-CB 3.99Å; I4-F183 HydrophobicContact CB-CD2 3.76Å; I4-F183 HydrophobicContact CB-CE2 4.41Å; I4-F183 HydrophobicContact CB-CG 3.95Å; I4-F183 HydrophobicContact CD1-CB 4.06Å; I4-F183 HydrophobicContact CD1-CG 4.39Å; I4-F183 HydrophobicContact CG2-CB 4.27Å; I4-F183 HydrophobicContact CG2-CD1 4.16Å; I4-F183 HydrophobicContact CG2-CD2 3.41Å; I4-F183 VanDerWaalsContact CG2-CD2 3.41Å; I4-F183 HydrophobicContact CG2-CE1 4.32Å; I4-F183 HydrophobicContact CG2-CE2 3.6Å; I4-F183 HydrophobicContact CG2-CG 3.69Å; I4-F183 HydrophobicContact CG2-CZ 4.05Å; K5-F183 HydrophobicContact CB-CD2 4.41Å; Y10-F183 HydrophobicContact CD1-CE2 4.19Å; Y10-F183 HydrophobicContact CD2-CE2 4.26Å; Y10-F183 HydrophobicContact CD2-CZ 4.1Å; Y10-F183 AromaticContact CE1-CE2 3.96Å; Y10-F183 HydrophobicContact CE1-CE2 3.96Å; Y10-F183 HydrophobicContact CE2-CE2 4.07Å; Y10-F183 AromaticContact CE2-CZ 3.82Å; Y10-F183 HydrophobicContact CE2-CZ 3.82Å; Y10-F183 HydrophobicContact CG-CE2 4.35Å; Y10-F183 AromaticContact CZ-CE2 3.93Å; F60-F183 HydrophobicContact CD1-CE1 4.42Å; F60-F183 HydrophobicContact CD1-CZ 4.31Å; F60-F183 HydrophobicContact CE1-CE1 4.34Å; F60-F183 HydrophobicContact CE1-CZ 4.28Å; D179-F183 WeakPolarHBondContact O-CB 3.19Å; D179-F183 PolarHBondContact O-N 2.95Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.38Å; F183-V185 VanDerWaalsContact C-N 3.35Å; F183-D186 PolarHBondContact O-N 3.16Å; F183-R187 HydrophobicContact CD1-CG 4.48Å; F183-R187 HydrophobicContact CE1-CG 4.23Å; F183-R187 WeakPolarHBondContact O-CG 3.31Å; F183-R187 PolarHBondContact O-N 3.12Å; F183-L259 HydrophobicContact CD1-CD1 3.85Å; F183-L259 HydrophobicContact CD1-CD2 4.09Å; F183-L259 HydrophobicContact CE1-CD2 4.16Å
184M96.8Very high95.4Very high0 Ų042.5 Ų42.50%024%0.237CC..Hα-helixtrans-68.8-32.1176.8-71.6-60.4-61.200112.7P51 S53 V58 F168 A180 I181 D182 R187 L188 F256 L259P51-M184 HydrophobicContact CG-CE 3.94Å; S53-M184 WeakPolarHBondContact OG-CE 3.28Å; V58-M184 HydrophobicContact CB-SD 3.88Å; V58-M184 HydrophobicContact CG1-CE 4.01Å; V58-M184 HydrophobicContact CG1-SD 3.43Å; V58-M184 WeakPolarHBondContact CG1-SD 3.23Å; F168-M184 HydrophobicContact CE2-CB 4.02Å; F168-M184 HydrophobicContact CZ-CB 4.18Å; A180-M184 WeakPolarHBondContact O-CB 3.44Å; A180-M184 VanDerWaalsContact O-CG 3.25Å; A180-M184 WeakPolarHBondContact O-CG 3.37Å; A180-M184 PolarHBondContact O-N 2.89Å; I181-M184 CarbonylContact O-C 3.35Å; I181-M184 PolarHBondContact O-N 3.04Å; D182-M184 PolarHBondContact O-N 2.85Å; M184-R187 PolarHBondContact O-N 3.29Å; M184-L188 WeakPolarHBondContact O-CB 3.49Å; M184-L188 PolarHBondContact O-N 3.32Å; M184-F256 HydrophobicContact CB-CD2 4.17Å; M184-F256 HydrophobicContact CB-CE2 3.82Å; M184-F256 HydrophobicContact CB-CZ 4.01Å; M184-F256 HydrophobicContact CE-CD1 4.18Å; M184-F256 HydrophobicContact CE-CE1 3.86Å; M184-F256 HydrophobicContact CE-CZ 4.35Å; M184-F256 HydrophobicContact CG-CB 4.49Å; M184-F256 HydrophobicContact CG-CD1 3.93Å; M184-F256 HydrophobicContact CG-CD2 3.68Å; M184-F256 HydrophobicContact CG-CE1 4.04Å; M184-F256 HydrophobicContact CG-CE2 3.79Å; M184-F256 HydrophobicContact CG-CG 3.76Å; M184-F256 HydrophobicContact CG-CZ 3.97Å; M184-F256 HydrophobicContact SD-CD1 4.43Å; M184-L259 HydrophobicContact CG-CD1 3.67Å; M184-L259 HydrophobicContact SD-CD1 3.72Å
185V95.6Very high95.6Very high44 Ų4441.8 Ų41.827%0.26723%0.232SC..Hα-helixtrans-63.5-45.9171.3173.60000109.9L165 F168 I181 D182 F183 R187 L188 E189L165-V185 HydrophobicContact CD2-CG2 3.77Å; F168-V185 HydrophobicContact CD2-CG2 4.2Å; F168-V185 HydrophobicContact CE2-CG2 3.9Å; I181-V185 HydrophobicContact CG2-CG2 4.31Å; I181-V185 WeakPolarHBondContact O-CG2 3.2Å; I181-V185 PolarHBondContact O-N 3.41Å; D182-V185 PolarHBondContact O-N 3.41Å; F183-V185 VanDerWaalsContact C-N 3.35Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.69Å; V185-L188 WeakPolarHBondContact O-CB 3.38Å; V185-L188 PolarHBondContact O-N 2.96Å; V185-E189 PolarHBondContact O-N 3.19Å
186D95Very high95.7Very high45 Ų4538.4 Ų38.424%0.24121%0.211CC..Hα-helixtrans-62.5-38.8177-171.574.6000112.3K5 D182 F183 E189 S190K5-D186 WeakPolarHBondContact CE-OD1 3.44Å; K5-D186 WeakPolarHBondContact CE-OD2 3.29Å; K5-D186 IonicContact NZ-OD1 4Å; K5-D186 PolarHBondContact NZ-OD1 3.04Å; K5-D186 IonicContact NZ-OD2 2.67Å; D182-D186 PolarHBondContact O-N 2.92Å; F183-D186 PolarHBondContact O-N 3.16Å; D186-E189 PolarHBondContact O-N 3.14Å; D186-S190 PolarHBondContact O-N 3.12Å
187R95.4Very high95.8Very high12 Ų1232 Ų325%0.04518%0.183CC..Hα-helixtrans-63.9-44.1172.2-70.3-48.796.2106.33.1112.8Y10 T55 E57 V58 F183 M184 V185 E189 S190Y10-R187 PolarHBondContact OH-NH1 2.81Å; T55-R187 HydrophobicContact CG2-CB 4.41Å; T55-R187 WeakPolarHBondContact OG1-CD 3.34Å; E57-R187 IonicContact OE2-CZ 3.33Å; E57-R187 IonicContact OE2-NE 2.73Å; E57-R187 IonicContact OE2-NH1 3.65Å; E57-R187 PolarHBondContact OE2-NH1 2.57Å; V58-R187 HydrophobicContact CG1-CB 4.47Å; V58-R187 HydrophobicContact CG1-CG 3.95Å; F183-R187 HydrophobicContact CD1-CG 4.48Å; F183-R187 HydrophobicContact CE1-CG 4.23Å; F183-R187 WeakPolarHBondContact O-CG 3.31Å; F183-R187 PolarHBondContact O-N 3.12Å; M184-R187 PolarHBondContact O-N 3.29Å; V185-R187 VanDerWaalsContact C-N 3.32Å; V185-R187 PolarHBondContact O-N 2.69Å; R187-E189 PolarHBondContact O-N 3.05Å; R187-S190 PolarHBondContact O-N 3.25Å; R187-S190 VanDerWaalsContact O-N 3.15Å; R187-S190 PolarHBondContact O-OG 3.08Å
188L95.6Very high95.9Very high0 Ų031.4 Ų31.40%018%0.18CC..Hα-helixtrans-58.6-38175.6174.961000111.6K161 V164 L165 M184 V185 S190 L191 L196K161-L188 HydrophobicContact CB-CD2 4.42Å; K161-L188 WeakPolarHBondContact CE-O 3.31Å; K161-L188 HydrophobicContact CG-CD1 4.2Å; K161-L188 HydrophobicContact CG-CG 4.16Å; V164-L188 HydrophobicContact CB-CD1 4.28Å; V164-L188 HydrophobicContact CB-CD2 4.11Å; V164-L188 HydrophobicContact CG1-CD1 4.06Å; V164-L188 HydrophobicContact CG1-CD2 3.93Å; L165-L188 HydrophobicContact CD1-CD2 4.37Å; L165-L188 HydrophobicContact CD2-CD2 3.72Å; L165-L188 HydrophobicContact CG-CD2 3.65Å; M184-L188 WeakPolarHBondContact O-CB 3.49Å; M184-L188 PolarHBondContact O-N 3.32Å; V185-L188 WeakPolarHBondContact O-CB 3.38Å; V185-L188 PolarHBondContact O-N 2.96Å; L188-S190 VanDerWaalsContact C-N 3.27Å; L188-S190 PolarHBondContact O-N 3.05Å; L188-L191 HydrophobicContact CD1-CD1 4.34Å; L188-L191 PolarHBondContact O-N 3.13Å; L188-L196 HydrophobicContact CD1-CD1 3.91Å; L188-L196 HydrophobicContact CD1-CD2 3.46Å; L188-L196 VanDerWaalsContact CD1-CD2 3.46Å; L188-L196 HydrophobicContact CD1-CG 4.33Å
189E94.9Very high96Very high98 Ų9830 Ų3046%0.45817%0.168SC..Hα-helixtrans-64.2-32.1178.7-76.1-56.2142.600113.3K161 V185 D186 R187 L191K161-E189 PolarHBondContact NZ-O 3.36Å; K161-E189 IonicContact NZ-OE2 3.65Å; K161-E189 PolarHBondContact NZ-OE2 2.79Å; V185-E189 PolarHBondContact O-N 3.19Å; D186-E189 PolarHBondContact O-N 3.14Å; R187-E189 PolarHBondContact O-N 3.05Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.9Å
190S94.9Very high96Very high76 Ų7628.7 Ų28.753%0.53116%0.161SC..Hα-helixtrans-72.8-15.217876.20000114.7D186 R187 L188D186-S190 PolarHBondContact O-N 3.12Å; R187-S190 PolarHBondContact O-N 3.25Å; R187-S190 VanDerWaalsContact O-N 3.15Å; R187-S190 PolarHBondContact O-OG 3.08Å; L188-S190 VanDerWaalsContact C-N 3.27Å; L188-S190 PolarHBondContact O-N 3.05Å
191L96.2Very high96Very high6 Ų629.1 Ų29.13%0.03116%0.163CC..SBendtrans-79.7136.9-178.2-64.5171.9000111.6T55 L188 E189 E195 L196 R199T55-L191 HydrophobicContact CG2-CD2 4.09Å; L188-L191 HydrophobicContact CD1-CD1 4.34Å; L188-L191 PolarHBondContact O-N 3.13Å; E189-L191 VanDerWaalsContact C-N 3.28Å; E189-L191 PolarHBondContact O-N 2.9Å; L191-E195 HydrophobicContact CD2-CB 4.5Å; L191-L196 HydrophobicContact CB-CD1 4.23Å; L191-L196 HydrophobicContact CB-CD2 4.11Å; L191-L196 HydrophobicContact CB-CG 3.86Å; L191-L196 HydrophobicContact CD1-CD2 3.67Å; L191-L196 HydrophobicContact CD1-CG 4.34Å; L191-R199 VanDerWaalsContact CD1-NH1 3.33Å
192S96.5Very high96Very high48 Ų4827.7 Ų27.734%0.33616%0.156SC..  trans-70.6165.3174.665.70000112.2S194 E195 L196S192-S194 VanDerWaalsContact C-N 3.33Å; S192-S194 PolarHBondContact O-N 3.33Å; S192-S194 PolarHBondContact OG-OG 3.2Å; S192-E195 WeakPolarHBondContact CB-OE2 3.46Å; S192-E195 PolarHBondContact N-OE2 3.1Å; S192-E195 PolarHBondContact O-N 2.86Å; S192-E195 WeakPolarHBondContact OG-CB 3.26Å; S192-E195 WeakPolarHBondContact OG-CG 3.43Å; S192-E195 PolarHBondContact OG-N 2.86Å; S192-E195 PolarHBondContact OG-OE2 3.2Å; S192-L196 PolarHBondContact O-N 2.73Å; S192-L196 VanDerWaalsContact O-N 3.13Å
193Q96.8Very high95.9Very high63 Ų6323.9 Ų23.929%0.29414%0.136SC..Hα-helixtrans-58.9-45175.8-173.3-84.8-22.700111.7W153 M155 A157 L160 L196 A197W153-Q193 PolarHBondContact O-NE2 3.05Å; M155-Q193 PolarHBondContact O-NE2 3.38Å; A157-Q193 HydrophobicContact CB-CB 3.94Å; A157-Q193 HydrophobicContact CB-CG 4.19Å; L160-Q193 HydrophobicContact CD1-CG 3.98Å; Q193-L196 PolarHBondContact O-N 3.17Å; Q193-A197 VanDerWaalsContact O-CB 3.27Å; Q193-A197 WeakPolarHBondContact O-CB 3.43Å; Q193-A197 PolarHBondContact O-N 3.32Å
194S96.6Very high95.7Very high45 Ų4524 Ų2432%0.31514%0.136SC..Hα-helixtrans-67.1-40.7-17849.20000112.2S192 L196 A197 S198S192-S194 VanDerWaalsContact C-N 3.33Å; S192-S194 PolarHBondContact O-N 3.33Å; S192-S194 PolarHBondContact OG-OG 3.2Å; S194-L196 PolarHBondContact O-N 2.69Å; S194-A197 PolarHBondContact O-N 3.08Å; S194-S198 WeakPolarHBondContact O-CB 3.23Å; S194-S198 PolarHBondContact O-N 3.02Å
195E96.9Very high95.3Very high36 Ų3627.1 Ų27.117%0.16815%0.151CC..Hα-helixtrans-61.9-43175.2-73.6169.4116.100111.8Q77 V80 L191 S192 S198 R199Q77-E195 PolarHBondContact NE2-OE1 2.74Å; V80-E195 HydrophobicContact CG2-CG 3.93Å; L191-E195 HydrophobicContact CD2-CB 4.5Å; S192-E195 WeakPolarHBondContact CB-OE2 3.46Å; S192-E195 PolarHBondContact N-OE2 3.1Å; S192-E195 PolarHBondContact O-N 2.86Å; S192-E195 WeakPolarHBondContact OG-CB 3.26Å; S192-E195 WeakPolarHBondContact OG-CG 3.43Å; S192-E195 PolarHBondContact OG-N 2.86Å; S192-E195 PolarHBondContact OG-OE2 3.2Å; E195-S198 PolarHBondContact O-OG 3.19Å; E195-R199 WeakPolarHBondContact O-CB 3.22Å; E195-R199 VanDerWaalsContact O-CD 3.26Å; E195-R199 WeakPolarHBondContact O-CD 3.32Å; E195-R199 WeakPolarHBondContact O-CG 3.3Å; E195-R199 PolarHBondContact O-N 3.28Å; E195-R199 VanDerWaalsContact O-N 3.17Å; E195-R199 IonicContact OE1-NH2 3.86Å
196L96.7Very high95.1Very high0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-70.1-43.1178.2-74.4174.7000112.5L160 K161 V164 L188 L191 S192 Q193 S194 R199 L200L160-L196 HydrophobicContact CB-CB 4.16Å; L160-L196 HydrophobicContact CB-CD1 4.49Å; L160-L196 HydrophobicContact CD1-CB 4.14Å; K161-L196 HydrophobicContact CD-CD1 4.46Å; K161-L196 HydrophobicContact CG-CD1 3.54Å; V164-L196 HydrophobicContact CG2-CD2 4.49Å; L188-L196 HydrophobicContact CD1-CD1 3.91Å; L188-L196 HydrophobicContact CD1-CD2 3.46Å; L188-L196 VanDerWaalsContact CD1-CD2 3.46Å; L188-L196 HydrophobicContact CD1-CG 4.33Å; L191-L196 HydrophobicContact CB-CD1 4.23Å; L191-L196 HydrophobicContact CB-CD2 4.11Å; L191-L196 HydrophobicContact CB-CG 3.86Å; L191-L196 HydrophobicContact CD1-CD2 3.67Å; L191-L196 HydrophobicContact CD1-CG 4.34Å; S192-L196 PolarHBondContact O-N 2.73Å; S192-L196 VanDerWaalsContact O-N 3.13Å; Q193-L196 PolarHBondContact O-N 3.17Å; S194-L196 PolarHBondContact O-N 2.69Å; L196-R199 PolarHBondContact O-N 2.98Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 WeakPolarHBondContact O-CG 3.44Å; L196-L200 PolarHBondContact O-N 3.18Å
197A96.8Very high95Very high0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-59.9-48.8179.300000110.5W82 F152 L160 Q193 S194 R199 L200 T201W82-A197 HydrophobicContact CH2-CB 3.7Å; W82-A197 HydrophobicContact CZ3-CB 4.01Å; F152-A197 HydrophobicContact CB-CB 4.18Å; L160-A197 HydrophobicContact CD1-CB 3.85Å; Q193-A197 VanDerWaalsContact O-CB 3.27Å; Q193-A197 WeakPolarHBondContact O-CB 3.43Å; Q193-A197 PolarHBondContact O-N 3.32Å; S194-A197 PolarHBondContact O-N 3.08Å; A197-R199 PolarHBondContact O-N 3.41Å; A197-L200 PolarHBondContact O-N 3.46Å; A197-T201 PolarHBondContact O-N 3.33Å; A197-T201 PolarHBondContact O-OG1 3.32Å; A197-T201 VanDerWaalsContact O-OG1 3.05Å
198S97Very high95Very high1 Ų133.3 Ų33.31%0.00718%0.178CC..Hα-helixtrans-67-39.7-177.489.20000112.1Y81 S194 E195 T201 L202Y81-S198 VanDerWaalsContact O-CB 3.22Å; Y81-S198 WeakPolarHBondContact O-CB 3.35Å; Y81-S198 PolarHBondContact O-OG 2.69Å; S194-S198 WeakPolarHBondContact O-CB 3.23Å; S194-S198 PolarHBondContact O-N 3.02Å; E195-S198 PolarHBondContact O-OG 3.19Å; S198-T201 WeakPolarHBondContact O-CB 3.22Å; S198-T201 PolarHBondContact O-N 2.94Å; S198-L202 WeakPolarHBondContact O-CG 3.17Å; S198-L202 PolarHBondContact O-N 2.99Å
199R96.9Very high95Very high2 Ų233.3 Ų33.31%0.00818%0.178CC..Hα-helixtrans-62.5-43.5174.2-73.1170.2-165.7-163.24.7112.6V52 G54 Y78 L110 L191 E195 L196 A197 T201 L202 N203V52-R199 HydrophobicContact CB-CB 4.46Å; V52-R199 HydrophobicContact CG1-CB 3.99Å; V52-R199 HydrophobicContact CG2-CB 4.42Å; V52-R199 WeakPolarHBondContact O-CD 3.37Å; V52-R199 PolarHBondContact O-NH1 3.37Å; G54-R199 PolarHBondContact O-NH1 3.34Å; Y78-R199 HydrophobicContact CE2-CG 3.7Å; L110-R199 HydrophobicContact CD2-CB 4.04Å; L110-R199 HydrophobicContact CD2-CG 4.42Å; L110-R199 VanDerWaalsContact CD2-O 3.31Å; L110-R199 WeakPolarHBondContact CD2-O 3.41Å; L191-R199 VanDerWaalsContact CD1-NH1 3.33Å; E195-R199 WeakPolarHBondContact O-CB 3.22Å; E195-R199 VanDerWaalsContact O-CD 3.26Å; E195-R199 WeakPolarHBondContact O-CD 3.32Å; E195-R199 WeakPolarHBondContact O-CG 3.3Å; E195-R199 PolarHBondContact O-N 3.28Å; E195-R199 VanDerWaalsContact O-N 3.17Å; E195-R199 IonicContact OE1-NH2 3.86Å; L196-R199 PolarHBondContact O-N 2.98Å; A197-R199 PolarHBondContact O-N 3.41Å; R199-T201 VanDerWaalsContact C-N 3.32Å; R199-L202 PolarHBondContact O-N 3.15Å; R199-N203 WeakPolarHBondContact O-CB 3.31Å; R199-N203 PolarHBondContact O-N 3.37Å
200L95.3Very high95.1Very high5 Ų531.9 Ų31.93%0.02617%0.171CC..Hα-helixtrans-66.6-36.5175.9-76.1167.3000111.4V52 F152 L160 I163 V164 L196 A197 N203 C204V52-L200 HydrophobicContact CG1-CD2 4.09Å; V52-L200 HydrophobicContact CG1-CG 4.09Å; F152-L200 HydrophobicContact CD1-CB 4.3Å; F152-L200 HydrophobicContact CD1-CD1 4.42Å; F152-L200 HydrophobicContact CD2-CB 3.59Å; F152-L200 HydrophobicContact CE1-CB 4.4Å; F152-L200 HydrophobicContact CE1-CD1 4.49Å; F152-L200 HydrophobicContact CE2-CB 3.67Å; F152-L200 WeakPolarHBondContact CE2-O 3.39Å; F152-L200 HydrophobicContact CG-CB 3.96Å; F152-L200 HydrophobicContact CZ-CB 4.1Å; L160-L200 HydrophobicContact CB-CD1 4.09Å; L160-L200 HydrophobicContact CD2-CD1 3.71Å; L160-L200 HydrophobicContact CG-CD1 4.47Å; I163-L200 HydrophobicContact CG2-CD2 4.21Å; V164-L200 HydrophobicContact CG2-CD1 4.14Å; V164-L200 HydrophobicContact CG2-CD2 4.06Å; V164-L200 HydrophobicContact CG2-CG 4.33Å; L196-L200 WeakPolarHBondContact O-CB 3.48Å; L196-L200 WeakPolarHBondContact O-CG 3.44Å; L196-L200 PolarHBondContact O-N 3.18Å; A197-L200 PolarHBondContact O-N 3.46Å; L200-N203 PolarHBondContact O-N 2.99Å; L200-C204 WeakPolarHBondContact O-CB 3.42Å; L200-C204 PolarHBondContact O-N 3.26Å; L200-C204 PolarHBondContact O-SG 2.93Å
201T95.3Very high95Very high10 Ų1030.3 Ų30.36%0.06116%0.159CC..Hα-helixtrans-59.9-51.3171.5-63.60000110.7W82 A149 A197 S198 R199 N203 C204 Q205W82-T201 HydrophobicContact CE3-CG2 4.49Å; A149-T201 PolarHBondContact O-OG1 3.45Å; A197-T201 PolarHBondContact O-N 3.33Å; A197-T201 PolarHBondContact O-OG1 3.32Å; A197-T201 VanDerWaalsContact O-OG1 3.05Å; S198-T201 WeakPolarHBondContact O-CB 3.22Å; S198-T201 PolarHBondContact O-N 2.94Å; R199-T201 VanDerWaalsContact C-N 3.32Å; T201-N203 PolarHBondContact O-N 3.19Å; T201-C204 PolarHBondContact O-N 2.9Å; T201-C204 VanDerWaalsContact O-N 3.12Å; T201-Q205 VanDerWaalsContact O-CB 3.26Å; T201-Q205 WeakPolarHBondContact O-CB 3.35Å; T201-Q205 PolarHBondContact O-N 3.4Å
202L95.4Very high94.8Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-60-32.9176.9-67.1174.1000113.1L84 L110 L114 S198 R199L84-L202 HydrophobicContact CD2-CD2 4.14Å; L84-L202 HydrophobicContact CG-CD2 4.36Å; L110-L202 HydrophobicContact CD1-CB 4.2Å; L110-L202 HydrophobicContact CD2-CB 4.43Å; L114-L202 HydrophobicContact CD2-CD1 4.35Å; S198-L202 WeakPolarHBondContact O-CG 3.17Å; S198-L202 PolarHBondContact O-N 2.99Å; R199-L202 PolarHBondContact O-N 3.15Å
203N93.5Very high94.8Very high10 Ų1036.8 Ų36.85%0.05318%0.183CC..Hα-helixtrans-75.3-25179-165.480.5000113.4V52 L110 F137 T140 F143 R199 L200 T201V52-N203 HydrophobicContact CG2-CB 4.16Å; L110-N203 HydrophobicContact CD1-CB 4.09Å; L110-N203 HydrophobicContact CD2-CB 4.34Å; F137-N203 VanDerWaalsContact CZ-OD1 3.22Å; F137-N203 WeakPolarHBondContact CZ-OD1 3.32Å; T140-N203 WeakPolarHBondContact CB-O 3.28Å; T140-N203 WeakPolarHBondContact CG2-O 3.46Å; F143-N203 WeakPolarHBondContact CD2-ND2 3.4Å; F143-N203 WeakPolarHBondContact CD2-O 3.31Å; F143-N203 VanDerWaalsContact CE2-ND2 3.32Å; F143-N203 WeakPolarHBondContact CE2-ND2 3.28Å; F143-N203 WeakPolarHBondContact CZ-ND2 3.43Å; R199-N203 WeakPolarHBondContact O-CB 3.31Å; R199-N203 PolarHBondContact O-N 3.37Å; L200-N203 PolarHBondContact O-N 2.99Å; T201-N203 PolarHBondContact O-N 3.19Å
204C90.6Very high94.7Very high2 Ų234 Ų341%0.01417%0.17CC..Hα-helixtrans-117.5-10.9-171.7-65.30000113.9Q145 T146 A149 F152 L200 T201 N206Q145-C204 HydrophobicContact CB-CB 4.07Å; T146-C204 WeakPolarHBondContact CA-O 3.41Å; A149-C204 HydrophobicContact CB-CB 3.81Å; F152-C204 HydrophobicContact CE2-CB 4.05Å; L200-C204 WeakPolarHBondContact O-CB 3.42Å; L200-C204 PolarHBondContact O-N 3.26Å; L200-C204 PolarHBondContact O-SG 2.93Å; T201-C204 PolarHBondContact O-N 2.9Å; T201-C204 VanDerWaalsContact O-N 3.12Å; C204-N206 PolarHBondContact O-N 2.95Å
205Q89.8Confident94.4Very high67 Ų6738.9 Ų38.931%0.31319%0.185SC..SBendtrans-66.5129.7173.2-178.3176.8-700109.3T140 T201 S207T140-Q205 WeakPolarHBondContact CB-O 3.11Å; T140-Q205 WeakPolarHBondContact CG2-O 3.36Å; T140-Q205 PolarHBondContact OG1-O 3.19Å; T201-Q205 VanDerWaalsContact O-CB 3.26Å; T201-Q205 WeakPolarHBondContact O-CB 3.35Å; T201-Q205 PolarHBondContact O-N 3.4Å; Q205-S207 PolarHBondContact O-N 2.81Å
206N90.1Very high94.2Very high105 Ų10543.8 Ų43.856%0.56121%0.213SC*.  trans-56.6112.1-178-83.9-0.1000111.3T140 T146 C204T140-N206 WeakPolarHBondContact OG1-CA 3.22Å; T146-N206 WeakPolarHBondContact CB-OD1 3.2Å; T146-N206 HydrophobicContact CG2-CB 4Å; T146-N206 WeakPolarHBondContact CG2-ND2 3.35Å; T146-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T146-N206 PolarHBondContact OG1-OD1 3.19Å; C204-N206 PolarHBondContact O-N 2.95Å
207S93.4Very high94.1Very high22 Ų2245.2 Ų45.215%0.15422%0.221CC..  trans-157.8141.3174.8174.20000109.7L84 K117 T140 Q205L84-S207 VanDerWaalsContact CD1-CB 3.44Å; L84-S207 WeakPolarHBondContact CD1-OG 3.34Å; K117-S207 WeakPolarHBondContact CE-OG 3.42Å; T140-S207 PolarHBondContact N-O 3.28Å; T140-S207 VanDerWaalsContact N-O 3.13Å; T140-S207 PolarHBondContact OG1-N 3.45Å; T140-S207 PolarHBondContact OG1-O 3.35Å; Q205-S207 PolarHBondContact O-N 2.81Å
208Y95.5Very high94.2Very high103 Ų10346.6 Ų46.640%0.40423%0.233SC..BIsolated β-bridgetrans-120.7150.6174.2174.7-110.3000109.5K117 S138 D139 P211 L241K117-Y208 PolarHBondContact NZ-O 3.46Å; S138-Y208 WeakPolarHBondContact O-CA 3.47Å; S138-Y208 WeakPolarHBondContact O-CD2 3.27Å; D139-Y208 HydrophobicContact CB-CD2 3.87Å; Y208-P211 HydrophobicContact CE1-CG 4.25Å; Y208-P211 WeakPolarHBondContact OH-CG 3.46Å; Y208-L241 HydrophobicContact CE2-CD1 3.91Å; Y208-L241 WeakPolarHBondContact OH-CD1 3.25Å
209V96.4Very high94.3Very high0 Ų047 Ų470%024%0.236CC..  trans-83.1123.9173.9175.30000109.5F113 Q116 K117 E120 S138 P211 I214 L241F113-V209 HydrophobicContact CD2-CG2 4.06Å; F113-V209 HydrophobicContact CE2-CG2 3.86Å; Q116-V209 HydrophobicContact CB-CG1 4.09Å; Q116-V209 HydrophobicContact CB-CG2 3.68Å; K117-V209 HydrophobicContact CD-CG2 3.89Å; K117-V209 HydrophobicContact CG-CG2 4.49Å; E120-V209 WeakPolarHBondContact OE2-CA 3.35Å; S138-V209 WeakPolarHBondContact O-CG2 3.46Å; S138-V209 PolarHBondContact O-N 3.41Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; V209-I214 HydrophobicContact CG1-CD1 3.26Å; V209-I214 HydrophobicContact CG1-CG1 4.35Å; V209-L241 HydrophobicContact CB-CD1 4.24Å; V209-L241 HydrophobicContact CG1-CD1 4.46Å; V209-L241 HydrophobicContact CG1-CD2 4.43Å
210E95.8Very high94.3Very high69 Ų6947.2 Ų47.232%0.32224%0.237SC..  trans-82.2106.3-178.4-69.5-174151.400111.9E120 H212 K213E120-E210 HydrophobicContact CG-CB 4.25Å; E120-E210 PolarHBondContact OE2-N 2.78Å; E210-H212 VanDerWaalsContact C-N 3.31Å; E210-H212 PolarHBondContact O-N 3.22Å; E210-H212 IonicContact OE2-CE1 2.87Å; E210-K213 HydrophobicContact CB-CD 4.19Å; E210-K213 HydrophobicContact CB-CG 4.44Å; E210-K213 PolarHBondContact O-N 2.94Å; E210-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 VanDerWaalsContact OE2-CD 3.22Å; E210-K213 WeakPolarHBondContact OE2-CD 3.36Å; E210-K213 WeakPolarHBondContact OE2-CE 3.18Å; E210-K213 IonicContact OE2-NZ 2.7Å; E210-K213 PolarHBondContact OE2-NZ 3.46Å
211P92.5Very high94.5Very high43 Ų4347 Ų4728%0.27924%0.236SC..G310 helixtrans-66-33.7-165.2-19.432.1000113Y208 V209 K213 I214 K215 L241Y208-P211 HydrophobicContact CE1-CG 4.25Å; Y208-P211 WeakPolarHBondContact OH-CG 3.46Å; V209-P211 WeakPolarHBondContact O-CD 3.26Å; P211-K213 PolarHBondContact O-N 2.9Å; P211-I214 PolarHBondContact O-N 3.44Å; P211-I214 VanDerWaalsContact O-N 3.11Å; P211-K215 PolarHBondContact O-N 2.94Å; P211-L241 HydrophobicContact CB-CD2 4.16Å; P211-L241 HydrophobicContact CB-CG 3.98Å; P211-L241 HydrophobicContact CG-CD1 3.87Å; P211-L241 HydrophobicContact CG-CD2 4.31Å; P211-L241 HydrophobicContact CG-CG 3.71Å
212H93.8Very high94.6Very high126 Ų12646.6 Ų46.658%0.58323%0.233SC*.G310 helixtrans-63.1-22.4-179.265.7-85.9000113.5E210E210-H212 VanDerWaalsContact C-N 3.31Å; E210-H212 PolarHBondContact O-N 3.22Å; E210-H212 IonicContact OE2-CE1 2.87Å
213K96.2Very high94.6Very high64 Ų6446.6 Ų46.628%0.27823%0.233SC..G310 helixtrans-84.8-16.3177.9-70.7-179174.7168.60113.6E120 H123 E210 P211E120-K213 HydrophobicContact CG-CB 3.96Å; E120-K213 HydrophobicContact CG-CD 3.52Å; E120-K213 HydrophobicContact CG-CG 4.37Å; H123-K213 HydrophobicContact CB-CB 3.94Å; H123-K213 WeakPolarHBondContact CB-O 3.4Å; E210-K213 HydrophobicContact CB-CD 4.19Å; E210-K213 HydrophobicContact CB-CG 4.44Å; E210-K213 PolarHBondContact O-N 2.94Å; E210-K213 VanDerWaalsContact O-N 3.13Å; E210-K213 VanDerWaalsContact OE2-CD 3.22Å; E210-K213 WeakPolarHBondContact OE2-CD 3.36Å; E210-K213 WeakPolarHBondContact OE2-CE 3.18Å; E210-K213 IonicContact OE2-NZ 2.7Å; E210-K213 PolarHBondContact OE2-NZ 3.46Å; P211-K213 PolarHBondContact O-N 2.9Å
214I95Very high94.6Very high3 Ų346.1 Ų46.12%0.01523%0.231CC..THydrogen-bonded Turntrans-127.79.6-17362.6172.6000113.4A119 E120 V209 P211 D216 V217 L241 Y242A119-I214 HydrophobicContact CB-CG2 3.92Å; E120-I214 HydrophobicContact CB-CG2 4.02Å; V209-I214 HydrophobicContact CG1-CD1 3.26Å; V209-I214 HydrophobicContact CG1-CG1 4.35Å; P211-I214 PolarHBondContact O-N 3.44Å; P211-I214 VanDerWaalsContact O-N 3.11Å; I214-D216 PolarHBondContact O-N 3.47Å; I214-D216 VanDerWaalsContact O-N 3.13Å; I214-V217 HydrophobicContact CB-CG2 4.3Å; I214-V217 WeakPolarHBondContact O-CB 3.44Å; I214-V217 PolarHBondContact O-N 2.97Å; I214-V217 VanDerWaalsContact O-N 3.08Å; I214-L241 HydrophobicContact CD1-CD2 4.19Å; I214-Y242 HydrophobicContact CD1-CE1 3.63Å; I214-Y242 WeakPolarHBondContact CD1-OH 3.48Å; I214-Y242 HydrophobicContact CG1-CE1 4.22Å
215K90.4Very high94.5Very high148 Ų14852.7 Ų52.764%0.64326%0.259SS*.THydrogen-bonded Turntrans-55.7-29.6-177.761.6170.1-168.2171.30114.4P211P211-K215 PolarHBondContact O-N 2.94Å
216D90.9Very high94.5Very high140 Ų14051.5 Ų51.575%0.74926%0.255SS*.THydrogen-bonded Turntrans-93.30.6-175.2-54.1-44.2000112.2I214I214-D216 PolarHBondContact O-N 3.47Å; I214-D216 VanDerWaalsContact O-N 3.13Å
217V96.3Very high94.2Very high29 Ų2953.2 Ų53.218%0.17626%0.26CS..SBendtrans-83.1127177.9-176.50000109.1V128 L131 I214 V219V128-V217 HydrophobicContact CG1-CG1 4.42Å; L131-V217 HydrophobicContact CB-CG1 4.41Å; L131-V217 HydrophobicContact CD1-CG1 3.81Å; L131-V217 HydrophobicContact CG-CG1 3.87Å; I214-V217 HydrophobicContact CB-CG2 4.3Å; I214-V217 WeakPolarHBondContact O-CB 3.44Å; I214-V217 PolarHBondContact O-N 2.97Å; I214-V217 VanDerWaalsContact O-N 3.08Å; V217-V219 HydrophobicContact CG1-CG2 4.48Å; V217-V219 VanDerWaalsContact O-CG2 3.3Å; V217-V219 WeakPolarHBondContact O-CG2 3.4Å; V217-V219 PolarHBondContact O-N 3.19Å
218A97.8Very high93.9Very high29 Ų2953.3 Ų53.324%0.2426%0.26CS..EExtended strand (participates in β ladder)trans-66.2123.3173.500000110S130 L131 F276S130-A218 WeakPolarHBondContact CA-O 3.45Å; S130-A218 VanDerWaalsContact CB-O 3.31Å; S130-A218 WeakPolarHBondContact CB-O 3.39Å; L131-A218 PolarHBondContact N-O 2.62Å; A218-F276 HydrophobicContact CB-CZ 3.97Å
219V98.5Very high93.4Very high11 Ų1150.9 Ų50.97%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-121.4139-176.1-175.10000111.7L131 L133 V217 I221 Y242 A245 R246L131-V219 HydrophobicContact CB-CG1 4.35Å; L131-V219 HydrophobicContact CB-CG2 4.1Å; L131-V219 HydrophobicContact CD1-CG2 4.23Å; L131-V219 CarbonylContact O-C 3.58Å; L131-V219 VanDerWaalsContact O-CA 3.31Å; L131-V219 WeakPolarHBondContact O-CA 3.39Å; L133-V219 HydrophobicContact CD1-CG1 3.74Å; L133-V219 HydrophobicContact CG-CG1 4.13Å; V217-V219 HydrophobicContact CG1-CG2 4.48Å; V217-V219 VanDerWaalsContact O-CG2 3.3Å; V217-V219 WeakPolarHBondContact O-CG2 3.4Å; V217-V219 PolarHBondContact O-N 3.19Å; V219-I221 HydrophobicContact CG1-CG1 4.11Å; V219-Y242 HydrophobicContact CB-CD1 4.11Å; V219-Y242 HydrophobicContact CB-CG 4.41Å; V219-Y242 HydrophobicContact CG1-CD1 4.24Å; V219-Y242 HydrophobicContact CG1-CD2 4.42Å; V219-Y242 HydrophobicContact CG1-CE1 4.49Å; V219-Y242 HydrophobicContact CG1-CG 4.2Å; V219-Y242 HydrophobicContact CG2-CD1 3.59Å; V219-Y242 HydrophobicContact CG2-CE1 3.65Å; V219-Y242 HydrophobicContact CG2-CG 4.35Å; V219-A245 HydrophobicContact CB-CB 3.97Å; V219-A245 HydrophobicContact CG1-CB 4.04Å; V219-A245 WeakPolarHBondContact O-CA 3.48Å; V219-R246 PolarHBondContact O-N 3.13Å
220T98.7Very high92.9Very high5 Ų551.5 Ų51.53%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-122.4127.3162.8-65.70000109.9L131 I132 L133 I222 R246 A248 H272L131-T220 PolarHBondContact O-N 2.7Å; I132-T220 CarbonylContact C-O 3.09Å; I132-T220 VanDerWaalsContact CA-O 3.31Å; I132-T220 WeakPolarHBondContact CA-O 3.41Å; L133-T220 PolarHBondContact N-O 3.04Å; T220-I222 HydrophobicContact CG2-CG1 4.35Å; T220-R246 CarbonylContact C-O 3.57Å; T220-R246 VanDerWaalsContact CA-O 3.28Å; T220-R246 WeakPolarHBondContact CA-O 3.34Å; T220-R246 HydrophobicContact CG2-CB 4.31Å; T220-A248 HydrophobicContact CG2-CB 4.26Å; T220-H272 WeakPolarHBondContact CB-ND1 3.43Å; T220-H272 PolarHBondContact OG1-ND1 2.71Å
221I98.5Very high92.6Very high2 Ų251 Ų511%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-101.7122177.1-57.5168.8000107.7L133 V219 D223 M238 Y239 Y242 A245 R246 A248L133-I221 WeakPolarHBondContact O-CA 3.41Å; V219-I221 HydrophobicContact CG1-CG1 4.11Å; I221-D223 VanDerWaalsContact CG2-OD2 3.27Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.47Å; I221-M238 HydrophobicContact CD1-CB 4.32Å; I221-Y239 HydrophobicContact CB-CE1 4.46Å; I221-Y239 HydrophobicContact CD1-CD1 3.84Å; I221-Y239 HydrophobicContact CD1-CE1 4.21Å; I221-Y239 HydrophobicContact CG2-CE1 3.96Å; I221-Y242 HydrophobicContact CD1-CD2 4.16Å; I221-A245 HydrophobicContact CD1-CB 3.87Å; I221-A245 HydrophobicContact CG1-CB 4.02Å; I221-R246 PolarHBondContact N-O 3.15Å; I221-A248 PolarHBondContact O-N 3.3Å
222I98.1Very high92.4Very high0 Ų054.1 Ų54.10%028%0.282CS..EExtended strand (participates in β ladder)trans-105.9111.8174.2-56.1175.9000107.7F106 I132 L133 C134 N135 T220 A248 L250 V265F106-I222 HydrophobicContact CE2-CD1 4.09Å; I132-I222 HydrophobicContact CG2-CD1 3.59Å; I132-I222 HydrophobicContact CG2-CG1 4.08Å; L133-I222 PolarHBondContact O-N 3.5Å; C134-I222 CarbonylContact C-O 3.56Å; C134-I222 WeakPolarHBondContact CA-O 3.44Å; C134-I222 HydrophobicContact CB-CB 4.38Å; N135-I222 PolarHBondContact N-O 3.3Å; T220-I222 HydrophobicContact CG2-CG1 4.35Å; I222-A248 VanDerWaalsContact CA-O 3.31Å; I222-A248 WeakPolarHBondContact CA-O 3.48Å; I222-A248 HydrophobicContact CG1-CB 3.93Å; I222-L250 HydrophobicContact CG2-CD1 3.84Å; I222-L250 HydrophobicContact CG2-CG 4.28Å; I222-V265 HydrophobicContact CD1-CG1 4.38Å
223D95.2Very high92.2Very high1 Ų153.8 Ų53.81%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-125.1153.3177.1-73.4-44.3000111I221 K235 Y239 A248 H249 L250I221-D223 VanDerWaalsContact CG2-OD2 3.27Å; I221-D223 WeakPolarHBondContact CG2-OD2 3.47Å; D223-K235 HydrophobicContact CB-CD 4.4Å; D223-Y239 VanDerWaalsContact OD2-CE1 3.27Å; D223-Y239 WeakPolarHBondContact OD2-CE1 3.44Å; D223-Y239 VanDerWaalsContact OD2-CZ 3.27Å; D223-Y239 PolarHBondContact OD2-OH 3.26Å; D223-A248 PolarHBondContact N-O 2.97Å; D223-A248 VanDerWaalsContact N-O 3.14Å; D223-H249 WeakPolarHBondContact O-CA 3.5Å; D223-L250 PolarHBondContact O-N 3.46Å
224V93.3Very high92Very high0 Ų051 Ų510%027%0.27CS..EExtended strand (participates in β ladder)trans-99149.6171.4-57.50000111.5N135 D226 K235 L250 G254 P257N135-V224 PolarHBondContact OD1-N 3.09Å; V224-D226 VanDerWaalsContact CB-OD1 3.27Å; V224-D226 WeakPolarHBondContact CB-OD1 3.28Å; V224-D226 VanDerWaalsContact CG2-OD1 3.27Å; V224-D226 WeakPolarHBondContact CG2-OD1 3.34Å; V224-K235 PolarHBondContact O-NZ 2.78Å; V224-L250 CarbonylContact C-O 3.49Å; V224-L250 WeakPolarHBondContact CA-O 3.24Å; V224-L250 HydrophobicContact CG1-CB 4.06Å; V224-L250 HydrophobicContact CG1-CD1 4.27Å; V224-G254 WeakPolarHBondContact CG2-O 3.26Å; V224-P257 HydrophobicContact CG1-CB 3.91Å; V224-P257 HydrophobicContact CG1-CG 4Å
225F88.6Confident91.9Very high140 Ų14051.6 Ų51.661%0.61427%0.273SS*.SBendtrans-91.3-16175.5-71.5-20.9000114.7H249 L250F225-H249 HydrophobicContact CD1-CB 4.44Å; F225-H249 HydrophobicContact CE1-CB 3.7Å; F225-H249 AromaticContact CE1-CD2 3.57Å; F225-H249 AromaticContact CE1-CG 3.44Å; F225-H249 VanDerWaalsContact CE1-CG 3.44Å; F225-H249 AromaticContact CE1-ND1 3.82Å; F225-H249 AromaticContact CE1-NE2 3.98Å; F225-H249 HydrophobicContact CE2-CB 3.85Å; F225-H249 HydrophobicContact CZ-CB 3.37Å; F225-H249 AromaticContact CZ-CD2 4Å; F225-H249 AromaticContact CZ-CG 3.37Å; F225-H249 AromaticContact CZ-ND1 3.51Å; F225-L250 PolarHBondContact N-O 3.01Å
226D88.8Confident92Very high41 Ų4149 Ų4922%0.21926%0.262CS..SBendtrans-80.9-176.6172.665.7-16.9000111.9M177 V224 S228 T252 G253 G254M177-D226 WeakPolarHBondContact CE-OD2 3.21Å; V224-D226 VanDerWaalsContact CB-OD1 3.27Å; V224-D226 WeakPolarHBondContact CB-OD1 3.28Å; V224-D226 VanDerWaalsContact CG2-OD1 3.27Å; V224-D226 WeakPolarHBondContact CG2-OD1 3.34Å; D226-S228 PolarHBondContact O-N 3.29Å; D226-T252 HydrophobicContact CB-CG2 4.4Å; D226-T252 VanDerWaalsContact CG-CA 3.46Å; D226-T252 VanDerWaalsContact OD2-CA 3.29Å; D226-T252 WeakPolarHBondContact OD2-CA 3.1Å; D226-T252 WeakPolarHBondContact OD2-CB 3.45Å; D226-G253 PolarHBondContact OD1-N 3.36Å; D226-G253 VanDerWaalsContact OD1-N 3.16Å; D226-G253 PolarHBondContact OD2-N 3.13Å; D226-G254 PolarHBondContact OD1-N 2.96Å; D226-G254 PolarHBondContact OD2-N 3.12Å
227Q84.2Confident92.1Very high142 Ų14246.5 Ų46.566%0.66425%0.247SC*.  trans-63.9119.7-177.4-172.8177.32.100111.1G254Q227-G254 WeakPolarHBondContact O-CA 3.13Å
228S86.9Confident92Very high23 Ų2345.2 Ų45.216%0.16124%0.238CC..  trans-126.1165.8173.960.20000111.1D226 L230 K235 N255D226-S228 PolarHBondContact O-N 3.29Å; S228-L230 VanDerWaalsContact C-N 3.26Å; S228-L230 PolarHBondContact O-N 2.93Å; S228-L230 PolarHBondContact OG-O 3.29Å; S228-L230 VanDerWaalsContact OG-O 3.11Å; S228-K235 WeakPolarHBondContact OG-CE 3.41Å; S228-K235 PolarHBondContact OG-NZ 3.06Å; S228-N255 WeakPolarHBondContact CA-OD1 3.36Å
229A85Confident91.9Very high53 Ų5345.4 Ų45.444%0.43823%0.233SC..SBendtrans-64.1-30.1178.700000113N167 N255N167-A229 HydrophobicContact CB-CB 4.18Å; A229-N255 WeakPolarHBondContact CB-OD1 3.45Å; A229-N255 PolarHBondContact N-OD1 3.37Å
230L86.9Confident91.7Very high13 Ų1351 Ų517%0.06826%0.257CS..SBendtrans-86.3136.6175.2-63.1178.4000110.6N135 S136 F137 I142 F143 S228 A234N135-L230 VanDerWaalsContact C-CD1 3.44Å; N135-L230 VanDerWaalsContact O-CD1 3.23Å; N135-L230 WeakPolarHBondContact O-CD1 3.38Å; S136-L230 VanDerWaalsContact O-CD1 3.22Å; S136-L230 WeakPolarHBondContact O-CD1 3.37Å; F137-L230 HydrophobicContact CB-CD1 4.36Å; F137-L230 HydrophobicContact CB-CD2 4.34Å; F137-L230 HydrophobicContact CD1-CD1 4.34Å; F137-L230 HydrophobicContact CD1-CD2 4.02Å; I142-L230 HydrophobicContact CD1-CD2 3.85Å; F143-L230 HydrophobicContact CE1-CD2 4.36Å; F143-L230 HydrophobicContact CZ-CD2 4.08Å; S228-L230 VanDerWaalsContact C-N 3.26Å; S228-L230 PolarHBondContact O-N 2.93Å; S228-L230 PolarHBondContact OG-O 3.29Å; S228-L230 VanDerWaalsContact OG-O 3.11Å; L230-A234 HydrophobicContact CB-CB 4.48Å
231S88.1Confident91.5Very high57 Ų5751.6 Ų51.640%0.39926%0.26SS..  trans-72.2166.6177.183.20000111.8E233 A234 K235S231-E233 VanDerWaalsContact C-N 3.28Å; S231-E233 WeakPolarHBondContact CB-OE2 3.48Å; S231-E233 PolarHBondContact O-N 3.17Å; S231-E233 PolarHBondContact OG-N 3.25Å; S231-E233 PolarHBondContact OG-OE2 3.25Å; S231-A234 PolarHBondContact O-N 3.19Å; S231-A234 PolarHBondContact OG-N 3.11Å; S231-K235 PolarHBondContact O-N 2.94Å
232L89.3Confident91.4Very high109 Ų10952.2 Ų52.257%0.57126%0.262SS*.Hα-helixtrans-64.4-38.1177.5-177.461.3000111.1A234 K235 E236L232-A234 VanDerWaalsContact C-N 3.33Å; L232-A234 PolarHBondContact O-N 2.92Å; L232-K235 WeakPolarHBondContact O-CB 3.43Å; L232-K235 PolarHBondContact O-N 2.82Å; L232-K235 VanDerWaalsContact O-N 3.1Å; L232-E236 WeakPolarHBondContact O-CG 3.48Å; L232-E236 PolarHBondContact O-N 2.84Å
233E90.1Very high91.2Very high120 Ų12056.4 Ų56.456%0.56129%0.289SS*.Hα-helixtrans-60.2-44178.3-56.975.2-164.100110.8S231 K235 E236 E237S231-E233 VanDerWaalsContact C-N 3.28Å; S231-E233 WeakPolarHBondContact CB-OE2 3.48Å; S231-E233 PolarHBondContact O-N 3.17Å; S231-E233 PolarHBondContact OG-N 3.25Å; S231-E233 PolarHBondContact OG-OE2 3.25Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.84Å; E233-E236 PolarHBondContact O-N 3.12Å; E233-E237 WeakPolarHBondContact O-CG 3.25Å; E233-E237 PolarHBondContact O-N 2.89Å
234A91Very high91.1Very high5 Ų563.8 Ų63.84%0.04133%0.329CS..Hα-helixtrans-61.5-37176.100000112.4I142 L230 S231 L232 M238I142-A234 HydrophobicContact CD1-CB 4.03Å; I142-A234 HydrophobicContact CG2-CB 4.48Å; L230-A234 HydrophobicContact CB-CB 4.48Å; S231-A234 PolarHBondContact O-N 3.19Å; S231-A234 PolarHBondContact OG-N 3.11Å; L232-A234 VanDerWaalsContact C-N 3.33Å; L232-A234 PolarHBondContact O-N 2.92Å; A234-M238 PolarHBondContact O-N 3.22Å
235K92.6Very high91.3Very high16 Ų1664.3 Ų64.37%0.0733%0.333CS..Hα-helixtrans-68-41.2174.9-65175.3-176.9173.90111.5D223 V224 S228 S231 L232 E233 E237 M238 Y239D223-K235 HydrophobicContact CB-CD 4.4Å; V224-K235 PolarHBondContact O-NZ 2.78Å; S228-K235 WeakPolarHBondContact OG-CE 3.41Å; S228-K235 PolarHBondContact OG-NZ 3.06Å; S231-K235 PolarHBondContact O-N 2.94Å; L232-K235 WeakPolarHBondContact O-CB 3.43Å; L232-K235 PolarHBondContact O-N 2.82Å; L232-K235 VanDerWaalsContact O-N 3.1Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 2.84Å; K235-E237 VanDerWaalsContact C-N 3.35Å; K235-E237 PolarHBondContact O-N 3.01Å; K235-M238 WeakPolarHBondContact O-CB 3.37Å; K235-M238 PolarHBondContact O-N 3.48Å; K235-Y239 HydrophobicContact CB-CE2 4.46Å; K235-Y239 WeakPolarHBondContact O-CD1 3.29Å; K235-Y239 WeakPolarHBondContact O-CD2 3.46Å; K235-Y239 PolarHBondContact O-N 2.94Å; K235-Y239 VanDerWaalsContact O-N 3.13Å
236E92.9Very high91.7Very high92 Ų9263.1 Ų63.143%0.4333%0.325SS..Hα-helixtrans-63.6-39.4176.5-71-176.1169.700112.4L232 E233 M238 Y239 K240L232-E236 WeakPolarHBondContact O-CG 3.48Å; L232-E236 PolarHBondContact O-N 2.84Å; E233-E236 PolarHBondContact O-N 3.12Å; E236-M238 VanDerWaalsContact C-N 3.32Å; E236-M238 PolarHBondContact O-N 3.05Å; E236-Y239 WeakPolarHBondContact O-CB 3.42Å; E236-Y239 PolarHBondContact O-N 3.28Å; E236-Y239 VanDerWaalsContact O-N 3.12Å; E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 2.65Å
237E92.8Very high92.1Very high89 Ų8967 Ų6742%0.41634%0.336SS..Hα-helixtrans-62.5-38.1174.3-68.9-50125.100112.2E233 K235 Y239 K240 L241E233-E237 WeakPolarHBondContact O-CG 3.25Å; E233-E237 PolarHBondContact O-N 2.89Å; K235-E237 VanDerWaalsContact C-N 3.35Å; K235-E237 PolarHBondContact O-N 3.01Å; E237-Y239 VanDerWaalsContact C-N 3.31Å; E237-Y239 PolarHBondContact O-N 3.11Å; E237-K240 PolarHBondContact O-N 3.32Å; E237-K240 IonicContact OE1-NZ 3.12Å; E237-K240 PolarHBondContact OE1-NZ 3.02Å; E237-L241 WeakPolarHBondContact O-CB 3.34Å; E237-L241 PolarHBondContact O-N 3.08Å
238M94.4Very high92.6Very high1 Ų160.4 Ų60.41%0.00531%0.306CS..Hα-helixtrans-59.6-41.5171.4-73.3-63.2-64.700112L133 F137 S138 I221 A234 K235 E236 L241 Y242L133-M238 HydrophobicContact CB-CE 4.38Å; L133-M238 HydrophobicContact CD1-CE 3.47Å; L133-M238 VanDerWaalsContact CD1-CE 3.47Å; F137-M238 VanDerWaalsContact CA-SD 3.58Å; S138-M238 WeakPolarHBondContact CB-SD 3.28Å; S138-M238 PolarHBondContact N-SD 3.11Å; I221-M238 HydrophobicContact CD1-CB 4.32Å; A234-M238 PolarHBondContact O-N 3.22Å; K235-M238 WeakPolarHBondContact O-CB 3.37Å; K235-M238 PolarHBondContact O-N 3.48Å; E236-M238 VanDerWaalsContact C-N 3.32Å; E236-M238 PolarHBondContact O-N 3.05Å; M238-L241 PolarHBondContact O-N 3.3Å; M238-Y242 HydrophobicContact CE-CD2 4.02Å; M238-Y242 HydrophobicContact CE-CE2 3.64Å; M238-Y242 WeakPolarHBondContact O-CD2 3.35Å; M238-Y242 PolarHBondContact O-N 3.18Å; M238-Y242 HydrophobicContact SD-CE2 4.49Å
239Y95.1Very high92.9Very high34 Ų3462.3 Ų62.313%0.13331%0.312CS..Hα-helixtrans-69.4-33.2178.8-59.2-20.9000113.3I221 D223 K235 E236 E237 Y242 H249I221-Y239 HydrophobicContact CB-CE1 4.46Å; I221-Y239 HydrophobicContact CD1-CD1 3.84Å; I221-Y239 HydrophobicContact CD1-CE1 4.21Å; I221-Y239 HydrophobicContact CG2-CE1 3.96Å; D223-Y239 VanDerWaalsContact OD2-CE1 3.27Å; D223-Y239 WeakPolarHBondContact OD2-CE1 3.44Å; D223-Y239 VanDerWaalsContact OD2-CZ 3.27Å; D223-Y239 PolarHBondContact OD2-OH 3.26Å; K235-Y239 HydrophobicContact CB-CE2 4.46Å; K235-Y239 WeakPolarHBondContact O-CD1 3.29Å; K235-Y239 WeakPolarHBondContact O-CD2 3.46Å; K235-Y239 PolarHBondContact O-N 2.94Å; K235-Y239 VanDerWaalsContact O-N 3.13Å; E236-Y239 WeakPolarHBondContact O-CB 3.42Å; E236-Y239 PolarHBondContact O-N 3.28Å; E236-Y239 VanDerWaalsContact O-N 3.12Å; E237-Y239 VanDerWaalsContact C-N 3.31Å; E237-Y239 PolarHBondContact O-N 3.11Å; Y239-Y242 CarbonylContact O-C 3.5Å; Y239-H249 AromaticContact CZ-NE2 3.69Å; Y239-H249 PolarHBondContact OH-NE2 2.64Å
240K94.4Very high93.4Very high128 Ų12859.8 Ų59.856%0.55729%0.291SS*.Hα-helixtrans-68.9-39.1173-69.1171.2-168.1167.80111.2E236 E237E236-K240 WeakPolarHBondContact O-CG 3.37Å; E236-K240 PolarHBondContact O-N 2.65Å; E237-K240 PolarHBondContact O-N 3.32Å; E237-K240 IonicContact OE1-NZ 3.12Å; E237-K240 PolarHBondContact OE1-NZ 3.02Å
241L95Very high93.7Very high17 Ų1767.4 Ų67.49%0.08932%0.324CS..Hα-helixtrans-68.2-38.5179.4-162.1147.2000112.2Y208 V209 P211 I214 E237 M238 P243Y208-L241 HydrophobicContact CE2-CD1 3.91Å; Y208-L241 WeakPolarHBondContact OH-CD1 3.25Å; V209-L241 HydrophobicContact CB-CD1 4.24Å; V209-L241 HydrophobicContact CG1-CD1 4.46Å; V209-L241 HydrophobicContact CG1-CD2 4.43Å; P211-L241 HydrophobicContact CB-CD2 4.16Å; P211-L241 HydrophobicContact CB-CG 3.98Å; P211-L241 HydrophobicContact CG-CD1 3.87Å; P211-L241 HydrophobicContact CG-CD2 4.31Å; P211-L241 HydrophobicContact CG-CG 3.71Å; I214-L241 HydrophobicContact CD1-CD2 4.19Å; E237-L241 WeakPolarHBondContact O-CB 3.34Å; E237-L241 PolarHBondContact O-N 3.08Å; M238-L241 PolarHBondContact O-N 3.3Å; L241-P243 VanDerWaalsContact C-CD 3.48Å; L241-P243 VanDerWaalsContact O-CD 3.28Å; L241-P243 WeakPolarHBondContact O-CD 3.41Å
242Y96Very high94Very high15 Ų1566.9 Ų66.96%0.05932%0.318CS..  trans-117.475.2177.3-54.5-79.4000112Q116 L133 I214 V219 I221 M238 Y239 N244 A245Q116-Y242 VanDerWaalsContact CD-OH 3.28Å; Q116-Y242 VanDerWaalsContact CG-OH 3.24Å; Q116-Y242 WeakPolarHBondContact CG-OH 3.41Å; Q116-Y242 PolarHBondContact OE1-OH 3.21Å; L133-Y242 HydrophobicContact CD1-CD2 4.36Å; L133-Y242 HydrophobicContact CD1-CE2 3.69Å; I214-Y242 HydrophobicContact CD1-CE1 3.63Å; I214-Y242 WeakPolarHBondContact CD1-OH 3.48Å; I214-Y242 HydrophobicContact CG1-CE1 4.22Å; V219-Y242 HydrophobicContact CB-CD1 4.11Å; V219-Y242 HydrophobicContact CB-CG 4.41Å; V219-Y242 HydrophobicContact CG1-CD1 4.24Å; V219-Y242 HydrophobicContact CG1-CD2 4.42Å; V219-Y242 HydrophobicContact CG1-CE1 4.49Å; V219-Y242 HydrophobicContact CG1-CG 4.2Å; V219-Y242 HydrophobicContact CG2-CD1 3.59Å; V219-Y242 HydrophobicContact CG2-CE1 3.65Å; V219-Y242 HydrophobicContact CG2-CG 4.35Å; I221-Y242 HydrophobicContact CD1-CD2 4.16Å; M238-Y242 HydrophobicContact CE-CD2 4.02Å; M238-Y242 HydrophobicContact CE-CE2 3.64Å; M238-Y242 WeakPolarHBondContact O-CD2 3.35Å; M238-Y242 PolarHBondContact O-N 3.18Å; M238-Y242 HydrophobicContact SD-CE2 4.49Å; Y239-Y242 CarbonylContact O-C 3.5Å; Y242-N244 PolarHBondContact O-N 2.98Å; Y242-A245 WeakPolarHBondContact O-CB 3.44Å; Y242-A245 PolarHBondContact O-N 3.43Å; Y242-A245 VanDerWaalsContact O-N 3.11Å
243P94.6Very high94.2Very high89 Ų8961.8 Ų61.858%0.57829%0.292SS*.THydrogen-bonded Turntrans-61.4-30.1-178.124.5-33.7000112.6L241L241-P243 VanDerWaalsContact C-CD 3.48Å; L241-P243 VanDerWaalsContact O-CD 3.28Å; L241-P243 WeakPolarHBondContact O-CD 3.41Å
244N93.9Very high94.3Very high155 Ų15556.1 Ų56.183%0.82927%0.266SS*.THydrogen-bonded Turntrans-95.33-178.8-59.8-29.3000113.7Y242Y242-N244 PolarHBondContact O-N 2.98Å
245A96.6Very high94.5Very high12 Ų1257.2 Ų57.210%0.09927%0.271CS..  trans-66140178.400000111.2V219 I221 Y242V219-A245 HydrophobicContact CB-CB 3.97Å; V219-A245 HydrophobicContact CG1-CB 4.04Å; V219-A245 WeakPolarHBondContact O-CA 3.48Å; I221-A245 HydrophobicContact CD1-CB 3.87Å; I221-A245 HydrophobicContact CG1-CB 4.02Å; Y242-A245 WeakPolarHBondContact O-CB 3.44Å; Y242-A245 PolarHBondContact O-N 3.43Å; Y242-A245 VanDerWaalsContact O-N 3.11Å
246R97.2Very high94.7Very high114 Ų11457 Ų5743%0.4327%0.27SS..EExtended strand (participates in β ladder)trans-66.4135.9165.2-60-179.8-177.2171.81.9108.5V219 T220 I221 I271V219-R246 PolarHBondContact O-N 3.13Å; T220-R246 CarbonylContact C-O 3.57Å; T220-R246 VanDerWaalsContact CA-O 3.28Å; T220-R246 WeakPolarHBondContact CA-O 3.34Å; T220-R246 HydrophobicContact CG2-CB 4.31Å; I221-R246 PolarHBondContact N-O 3.15Å; R246-I271 PolarHBondContact NH1-O 2.83Å
247R96.1Very high94.9Very high123 Ų12352.6 Ų52.646%0.46425%0.249SC..EExtended strand (participates in β ladder)trans-109.9121.8-179.8-58.3-177.6-168.2174.42.8109.3
248A95.6Very high95.1Very high3 Ų348.4 Ų48.43%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-114.697.7179.200000108.1T220 I221 I222 D223 Y268T220-A248 HydrophobicContact CG2-CB 4.26Å; I221-A248 PolarHBondContact O-N 3.3Å; I222-A248 VanDerWaalsContact CA-O 3.31Å; I222-A248 WeakPolarHBondContact CA-O 3.48Å; I222-A248 HydrophobicContact CG1-CB 3.93Å; D223-A248 PolarHBondContact N-O 2.97Å; D223-A248 VanDerWaalsContact N-O 3.14Å; A248-Y268 HydrophobicContact CB-CD1 3.44Å; A248-Y268 VanDerWaalsContact CB-CD1 3.44Å; A248-Y268 HydrophobicContact CB-CD2 3.75Å; A248-Y268 HydrophobicContact CB-CE1 3.62Å; A248-Y268 HydrophobicContact CB-CE2 3.9Å; A248-Y268 HydrophobicContact CB-CG 3.52Å
249H93.1Very high95.2Very high63 Ų6348.6 Ų48.629%0.29223%0.231SC..EExtended strand (participates in β ladder)trans-95.3121.6-177.1-67.1138.3000111.3D223 F225 Y239D223-H249 WeakPolarHBondContact O-CA 3.5Å; F225-H249 HydrophobicContact CD1-CB 4.44Å; F225-H249 HydrophobicContact CE1-CB 3.7Å; F225-H249 AromaticContact CE1-CD2 3.57Å; F225-H249 AromaticContact CE1-CG 3.44Å; F225-H249 VanDerWaalsContact CE1-CG 3.44Å; F225-H249 AromaticContact CE1-ND1 3.82Å; F225-H249 AromaticContact CE1-NE2 3.98Å; F225-H249 HydrophobicContact CE2-CB 3.85Å; F225-H249 HydrophobicContact CZ-CB 3.37Å; F225-H249 AromaticContact CZ-CD2 4Å; F225-H249 AromaticContact CZ-CG 3.37Å; F225-H249 AromaticContact CZ-ND1 3.51Å; Y239-H249 AromaticContact CZ-NE2 3.69Å; Y239-H249 PolarHBondContact OH-NE2 2.64Å
250L95.6Very high95.3Very high0 Ų047.3 Ų47.30%023%0.227CC..EExtended strand (participates in β ladder)trans-93.9134.7173.2-64.4172.1000109.5I222 D223 V224 F225 T252 P257 E264 V265 Y268I222-L250 HydrophobicContact CG2-CD1 3.84Å; I222-L250 HydrophobicContact CG2-CG 4.28Å; D223-L250 PolarHBondContact O-N 3.46Å; V224-L250 CarbonylContact C-O 3.49Å; V224-L250 WeakPolarHBondContact CA-O 3.24Å; V224-L250 HydrophobicContact CG1-CB 4.06Å; V224-L250 HydrophobicContact CG1-CD1 4.27Å; F225-L250 PolarHBondContact N-O 3.01Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 2.61Å; L250-P257 HydrophobicContact CD1-CB 3.48Å; L250-P257 VanDerWaalsContact CD1-CB 3.48Å; L250-P257 HydrophobicContact CD1-CG 4.26Å; L250-E264 HydrophobicContact CD2-CB 3.52Å; L250-E264 HydrophobicContact CD2-CG 4.29Å; L250-E264 WeakPolarHBondContact CD2-OE2 3.28Å; L250-V265 HydrophobicContact CD1-CG2 3.88Å; L250-Y268 HydrophobicContact CD2-CD2 4.28Å; L250-Y268 HydrophobicContact CD2-CE2 3.71Å; L250-Y268 HydrophobicContact CG-CE2 4.42Å
251K93.6Very high95.5Very high174 Ų17442.9 Ų42.976%0.75721%0.207SC*.SBendtrans-62.7-36.6179.5-174.5177.7177.7-1800112.3
252T93.7Very high95.6Very high46 Ų4643.2 Ų43.228%0.28221%0.211SC..SBendtrans-145.7163.7-179.754.70000110.1D226 L250 R261D226-T252 HydrophobicContact CB-CG2 4.4Å; D226-T252 VanDerWaalsContact CG-CA 3.46Å; D226-T252 VanDerWaalsContact OD2-CA 3.29Å; D226-T252 WeakPolarHBondContact OD2-CA 3.1Å; D226-T252 WeakPolarHBondContact OD2-CB 3.45Å; L250-T252 VanDerWaalsContact C-N 3.27Å; L250-T252 PolarHBondContact O-N 2.61Å; T252-R261 WeakPolarHBondContact O-CG 3.31Å; T252-R261 PolarHBondContact OG1-NE 3.03Å; T252-R261 PolarHBondContact OG1-NH2 3.19Å
253G93.3Very high95.7Very high2 Ų246.1 Ų46.12%0.02124%0.238CC..  trans151.6-9.8172.300000114.1D226 N255 F256 C260D226-G253 PolarHBondContact OD1-N 3.36Å; D226-G253 VanDerWaalsContact OD1-N 3.16Å; D226-G253 PolarHBondContact OD2-N 3.13Å; G253-N255 PolarHBondContact O-N 3.13Å; G253-F256 PolarHBondContact O-N 3.06Å; G253-C260 VanDerWaalsContact CA-SG 3.51Å; G253-C260 PolarHBondContact O-SG 3.46Å
254G93.8Very high95.8Very high1 Ų145.9 Ų45.91%0.0123%0.229CC..THydrogen-bonded Turntrans51.4-136179.900000112.4N135 V224 D226 Q227 F256N135-G254 PolarHBondContact ND2-O 2.86Å; V224-G254 WeakPolarHBondContact CG2-O 3.26Å; D226-G254 PolarHBondContact OD1-N 2.96Å; D226-G254 PolarHBondContact OD2-N 3.12Å; Q227-G254 WeakPolarHBondContact O-CA 3.13Å; G254-F256 PolarHBondContact O-N 3.36Å
255N93.5Very high96Very high28 Ų2838.5 Ų38.515%0.1519%0.19CC..THydrogen-bonded Turntrans-74.2-24.1-175.7-66.1-16.8000114.2N135 N167 S228 A229 G253 P257N135-N255 PolarHBondContact ND2-O 3.05Å; N167-N255 PolarHBondContact O-ND2 2.95Å; S228-N255 WeakPolarHBondContact CA-OD1 3.36Å; A229-N255 WeakPolarHBondContact CB-OD1 3.45Å; A229-N255 PolarHBondContact N-OD1 3.37Å; G253-N255 PolarHBondContact O-N 3.13Å; N255-P257 WeakPolarHBondContact O-CD 3.38Å
256F96.6Very high96.1Very high10 Ų1038.3 Ų38.34%0.04419%0.187CC..  trans-126.952.2-166.2-45.4-54.4000112.8F168 A180 I181 M184 G253 G254 Y258 L259 C260F168-F256 HydrophobicContact CD1-CZ 4.08Å; F168-F256 HydrophobicContact CD2-CE2 4.05Å; F168-F256 HydrophobicContact CD2-CZ 4.31Å; F168-F256 HydrophobicContact CE1-CE2 4.31Å; F168-F256 AromaticContact CE1-CZ 3.62Å; F168-F256 HydrophobicContact CE1-CZ 3.62Å; F168-F256 AromaticContact CE2-CE2 3.8Å; F168-F256 HydrophobicContact CE2-CE2 3.8Å; F168-F256 AromaticContact CE2-CZ 3.84Å; F168-F256 HydrophobicContact CE2-CZ 3.84Å; F168-F256 HydrophobicContact CG-CE2 4.41Å; F168-F256 HydrophobicContact CG-CZ 4.42Å; F168-F256 AromaticContact CZ-CE2 3.95Å; F168-F256 HydrophobicContact CZ-CE2 3.95Å; F168-F256 AromaticContact CZ-CZ 3.48Å; F168-F256 HydrophobicContact CZ-CZ 3.48Å; F168-F256 VanDerWaalsContact CZ-CZ 3.48Å; A180-F256 HydrophobicContact CB-CB 4.46Å; I181-F256 HydrophobicContact CG1-CD2 4.24Å; I181-F256 HydrophobicContact CG1-CE2 4.22Å; M184-F256 HydrophobicContact CB-CD2 4.17Å; M184-F256 HydrophobicContact CB-CE2 3.82Å; M184-F256 HydrophobicContact CB-CZ 4.01Å; M184-F256 HydrophobicContact CE-CD1 4.18Å; M184-F256 HydrophobicContact CE-CE1 3.86Å; M184-F256 HydrophobicContact CE-CZ 4.35Å; M184-F256 HydrophobicContact CG-CB 4.49Å; M184-F256 HydrophobicContact CG-CD1 3.93Å; M184-F256 HydrophobicContact CG-CD2 3.68Å; M184-F256 HydrophobicContact CG-CE1 4.04Å; M184-F256 HydrophobicContact CG-CE2 3.79Å; M184-F256 HydrophobicContact CG-CG 3.76Å; M184-F256 HydrophobicContact CG-CZ 3.97Å; M184-F256 HydrophobicContact SD-CD1 4.43Å; G253-F256 PolarHBondContact O-N 3.06Å; G254-F256 PolarHBondContact O-N 3.36Å; F256-Y258 HydrophobicContact CB-CE1 4.45Å; F256-Y258 HydrophobicContact CD1-CE1 4.33Å; F256-Y258 AromaticContact CD1-CZ 3.95Å; F256-Y258 VanDerWaalsContact CD1-OH 3.31Å; F256-Y258 WeakPolarHBondContact CD1-OH 3.23Å; F256-Y258 PolarHBondContact O-N 3.03Å; F256-Y258 VanDerWaalsContact O-N 3.14Å; F256-L259 HydrophobicContact CB-CB 4.48Å; F256-L259 HydrophobicContact CB-CD1 4.23Å; F256-L259 PolarHBondContact O-N 3.32Å; F256-C260 PolarHBondContact O-N 2.84Å; F256-C260 PolarHBondContact O-SG 2.94Å; F256-C260 VanDerWaalsContact O-SG 3.34Å
257P97.3Very high96.2Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-60.8-27.2-17826.4-35.3000112.5C134 N135 V224 L250 N255 L259 R261 S262 V265C134-P257 VanDerWaalsContact SG-CG 3.59Å; N135-P257 WeakPolarHBondContact ND2-CD 3.46Å; V224-P257 HydrophobicContact CG1-CB 3.91Å; V224-P257 HydrophobicContact CG1-CG 4Å; L250-P257 HydrophobicContact CD1-CB 3.48Å; L250-P257 VanDerWaalsContact CD1-CB 3.48Å; L250-P257 HydrophobicContact CD1-CG 4.26Å; N255-P257 WeakPolarHBondContact O-CD 3.38Å; P257-L259 PolarHBondContact O-N 2.98Å; P257-R261 CarbonylContact O-C 3.53Å; P257-R261 VanDerWaalsContact O-CA 3.24Å; P257-R261 WeakPolarHBondContact O-CA 3.41Å; P257-R261 WeakPolarHBondContact O-CB 3.42Å; P257-R261 PolarHBondContact O-N 2.68Å; P257-S262 PolarHBondContact O-N 3.18Å; P257-V265 HydrophobicContact CB-CG2 4.06Å
258Y97.9Very high96.3Very high1 Ų134.2 Ų34.20%0.00418%0.177CC..Hα-helixtrans-65.6-14.4175.254.7-94.7000113.7P51 V58 F59 Q62 A108 F256 S262P51-Y258 WeakPolarHBondContact CG-OH 3.48Å; V58-Y258 HydrophobicContact CB-CE2 3.99Å; V58-Y258 HydrophobicContact CG2-CE2 3.9Å; V58-Y258 WeakPolarHBondContact O-CD2 3.26Å; F59-Y258 AromaticContact CD1-CD2 3.8Å; F59-Y258 HydrophobicContact CD1-CD2 3.8Å; F59-Y258 HydrophobicContact CD1-CE2 4.3Å; F59-Y258 HydrophobicContact CD1-CG 4.11Å; F59-Y258 HydrophobicContact CE1-CD1 4.16Å; F59-Y258 AromaticContact CE1-CD2 3.75Å; F59-Y258 HydrophobicContact CE1-CD2 3.75Å; F59-Y258 HydrophobicContact CE1-CE1 4.36Å; F59-Y258 AromaticContact CE1-CE2 3.98Å; F59-Y258 HydrophobicContact CE1-CE2 3.98Å; F59-Y258 AromaticContact CE1-CG 3.85Å; F59-Y258 HydrophobicContact CE1-CG 3.85Å; Q62-Y258 PolarHBondContact NE2-O 2.94Å; Q62-Y258 PolarHBondContact OE1-O 3.23Å; A108-Y258 HydrophobicContact CB-CD1 4.15Å; A108-Y258 HydrophobicContact CB-CE1 3.63Å; F256-Y258 HydrophobicContact CB-CE1 4.45Å; F256-Y258 HydrophobicContact CD1-CE1 4.33Å; F256-Y258 AromaticContact CD1-CZ 3.95Å; F256-Y258 VanDerWaalsContact CD1-OH 3.31Å; F256-Y258 WeakPolarHBondContact CD1-OH 3.23Å; F256-Y258 PolarHBondContact O-N 3.03Å; F256-Y258 VanDerWaalsContact O-N 3.14Å; Y258-S262 VanDerWaalsContact O-CB 3.29Å; Y258-S262 WeakPolarHBondContact O-CB 3.22Å
259L97.4Very high96.4Very high6 Ų634 Ų343%0.03118%0.176CC..Hα-helixtrans-102.8-50.2172-71.9169.6000112.1I4 V58 F60 Q61 A180 F183 M184 F256 P257I4-L259 HydrophobicContact CD1-CD2 4.49Å; V58-L259 VanDerWaalsContact O-CD2 3.26Å; V58-L259 WeakPolarHBondContact O-CD2 3.34Å; F60-L259 HydrophobicContact CD1-CD2 4.31Å; F60-L259 HydrophobicContact CE1-CD2 3.86Å; Q61-L259 PolarHBondContact OE1-O 3.26Å; A180-L259 HydrophobicContact CB-CB 3.64Å; A180-L259 HydrophobicContact CB-CD1 4.24Å; F183-L259 HydrophobicContact CD1-CD1 3.85Å; F183-L259 HydrophobicContact CD1-CD2 4.09Å; F183-L259 HydrophobicContact CE1-CD2 4.16Å; M184-L259 HydrophobicContact CG-CD1 3.67Å; M184-L259 HydrophobicContact SD-CD1 3.72Å; F256-L259 HydrophobicContact CB-CB 4.48Å; F256-L259 HydrophobicContact CB-CD1 4.23Å; F256-L259 PolarHBondContact O-N 3.32Å; P257-L259 PolarHBondContact O-N 2.98Å
260C96.5Very high96.6Very high7 Ų733.9 Ų33.95%0.04718%0.176CC..Hα-helixtrans-86.7-17.2-171.764.40000114K176 M177 A180 G253 F256K176-C260 HydrophobicContact CB-CB 4.18Å; K176-C260 VanDerWaalsContact O-CB 3.29Å; K176-C260 WeakPolarHBondContact O-CB 3.41Å; M177-C260 HydrophobicContact CG-CB 3.95Å; A180-C260 HydrophobicContact CB-CB 3.88Å; G253-C260 VanDerWaalsContact CA-SG 3.51Å; G253-C260 PolarHBondContact O-SG 3.46Å; F256-C260 PolarHBondContact O-N 2.84Å; F256-C260 PolarHBondContact O-SG 2.94Å; F256-C260 VanDerWaalsContact O-SG 3.34Å
261R97.6Very high96.7Very high34 Ų3437.6 Ų37.613%0.12820%0.195CC..THydrogen-bonded Turntrans-133.134.7178.1-57-61.3179.5-95.4-3111.2D174 T252 P257 A263 E264 V265D174-R261 IonicContact OD1-CZ 3.39Å; D174-R261 IonicContact OD1-NH1 2.68Å; D174-R261 PolarHBondContact OD1-NH1 3.18Å; D174-R261 IonicContact OD1-NH2 3.58Å; D174-R261 IonicContact OD2-CZ 2.57Å; D174-R261 IonicContact OD2-NH1 3.97Å; D174-R261 IonicContact OD2-NH2 3.99Å; D174-R261 PolarHBondContact OD2-NH2 3.18Å; T252-R261 WeakPolarHBondContact O-CG 3.31Å; T252-R261 PolarHBondContact OG1-NE 3.03Å; T252-R261 PolarHBondContact OG1-NH2 3.19Å; P257-R261 CarbonylContact O-C 3.53Å; P257-R261 VanDerWaalsContact O-CA 3.24Å; P257-R261 WeakPolarHBondContact O-CA 3.41Å; P257-R261 WeakPolarHBondContact O-CB 3.42Å; P257-R261 PolarHBondContact O-N 2.68Å; R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 3.14Å; R261-E264 PolarHBondContact O-N 3.06Å; R261-V265 PolarHBondContact O-N 3.31Å; R261-V265 VanDerWaalsContact O-N 3.08Å
262S97.6Very high96.9Very high25 Ų2529.3 Ų29.318%0.17516%0.159CC..Hα-helixtrans-56.1-36.9-172.351.80000114.6Q61 P257 Y258 E264 V265 N266Q61-S262 PolarHBondContact OE1-OG 2.98Å; P257-S262 PolarHBondContact O-N 3.18Å; Y258-S262 VanDerWaalsContact O-CB 3.29Å; Y258-S262 WeakPolarHBondContact O-CB 3.22Å; S262-E264 VanDerWaalsContact C-N 3.34Å; S262-E264 PolarHBondContact O-N 2.94Å; S262-V265 PolarHBondContact O-N 3.34Å; S262-N266 VanDerWaalsContact O-CB 3.22Å; S262-N266 WeakPolarHBondContact O-CB 3.29Å; S262-N266 PolarHBondContact O-N 3.42Å; S262-N266 PolarHBondContact O-ND2 3.35Å; S262-N266 PolarHBondContact O-OD1 3.01Å
263A97.4Very high97.1Very high76 Ų7627.2 Ų27.263%0.62815%0.146SC*.Hα-helixtrans-58.6-44.2176.300000112.4R261 L267R261-A263 VanDerWaalsContact C-N 3.28Å; R261-A263 PolarHBondContact O-N 3.14Å; A263-L267 WeakPolarHBondContact O-CB 3.27Å; A263-L267 PolarHBondContact O-N 2.87Å
264E97.9Very high97.2Very high84 Ų8432.5 Ų32.539%0.39317%0.165SC..Hα-helixtrans-69.4-42.9177.8-63175.6-106.500111.1L250 R261 S262 N266 L267 Y268L250-E264 HydrophobicContact CD2-CB 3.52Å; L250-E264 HydrophobicContact CD2-CG 4.29Å; L250-E264 WeakPolarHBondContact CD2-OE2 3.28Å; R261-E264 PolarHBondContact O-N 3.06Å; S262-E264 VanDerWaalsContact C-N 3.34Å; S262-E264 PolarHBondContact O-N 2.94Å; E264-N266 PolarHBondContact O-N 3.04Å; E264-L267 WeakPolarHBondContact O-CB 3.37Å; E264-L267 PolarHBondContact O-N 3.42Å; E264-Y268 WeakPolarHBondContact O-CD2 3.5Å; E264-Y268 PolarHBondContact O-N 3.01Å
265V98.5Very high97.2Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-60.7-44.8175.7173.60000111.3F106 I222 L250 P257 R261 S262 L267 Y268 I269F106-V265 HydrophobicContact CE2-CG1 3.97Å; F106-V265 HydrophobicContact CZ-CG1 4.1Å; I222-V265 HydrophobicContact CD1-CG1 4.38Å; L250-V265 HydrophobicContact CD1-CG2 3.88Å; P257-V265 HydrophobicContact CB-CG2 4.06Å; R261-V265 PolarHBondContact O-N 3.31Å; R261-V265 VanDerWaalsContact O-N 3.08Å; S262-V265 PolarHBondContact O-N 3.34Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.15Å; V265-Y268 PolarHBondContact O-N 3.32Å; V265-I269 HydrophobicContact CG1-CD1 3.82Å; V265-I269 HydrophobicContact CG1-CG1 4.48Å; V265-I269 VanDerWaalsContact O-CG1 3.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 3.08Å
266N98.6Very high97.3Very high7 Ų734.4 Ų34.44%0.03717%0.173CC..Hα-helixtrans-63.5-39.1178.7-66.1-8.7000111.3Q61 Q62 A65 W69 S262 E264 I269 Q270Q61-N266 PolarHBondContact O-ND2 3.47Å; Q62-N266 VanDerWaalsContact CG-OD1 3.23Å; Q62-N266 WeakPolarHBondContact CG-OD1 3.39Å; Q62-N266 PolarHBondContact NE2-OD1 3.45Å; A65-N266 WeakPolarHBondContact CB-ND2 3.46Å; W69-N266 HydrophobicContact CH2-CB 3.69Å; W69-N266 HydrophobicContact CZ3-CB 3.95Å; S262-N266 VanDerWaalsContact O-CB 3.22Å; S262-N266 WeakPolarHBondContact O-CB 3.29Å; S262-N266 PolarHBondContact O-N 3.42Å; S262-N266 PolarHBondContact O-ND2 3.35Å; S262-N266 PolarHBondContact O-OD1 3.01Å; E264-N266 PolarHBondContact O-N 3.04Å; N266-I269 PolarHBondContact O-N 3.01Å; N266-Q270 PolarHBondContact O-N 3.11Å
267L98.1Very high97.2Very high85 Ų8534.1 Ų34.145%0.44517%0.171SC..Hα-helixtrans-60.9-46.7173.5177.264.1000111.3A263 E264 V265 I269 Q270 I271A263-L267 WeakPolarHBondContact O-CB 3.27Å; A263-L267 PolarHBondContact O-N 2.87Å; E264-L267 WeakPolarHBondContact O-CB 3.37Å; E264-L267 PolarHBondContact O-N 3.42Å; V265-L267 VanDerWaalsContact C-N 3.32Å; V265-L267 PolarHBondContact O-N 3.15Å; L267-I269 VanDerWaalsContact C-N 3.32Å; L267-I269 PolarHBondContact O-N 3.23Å; L267-Q270 WeakPolarHBondContact O-CB 3.37Å; L267-Q270 PolarHBondContact O-N 3.15Å; L267-I271 HydrophobicContact CD1-CD1 4.1Å; L267-I271 HydrophobicContact CD1-CG1 4.36Å; L267-I271 HydrophobicContact CG-CD1 3.9Å; L267-I271 VanDerWaalsContact O-CG1 3.32Å; L267-I271 WeakPolarHBondContact O-CG1 3.4Å; L267-I271 PolarHBondContact O-N 3.25Å
268Y98.4Very high96.9Very high66 Ų6636.9 Ų36.926%0.25920%0.2SC..Hα-helixtrans-65-35.8177.6-72.3-55.8000113A248 L250 E264 V265 I271 H272A248-Y268 HydrophobicContact CB-CD1 3.44Å; A248-Y268 VanDerWaalsContact CB-CD1 3.44Å; A248-Y268 HydrophobicContact CB-CD2 3.75Å; A248-Y268 HydrophobicContact CB-CE1 3.62Å; A248-Y268 HydrophobicContact CB-CE2 3.9Å; A248-Y268 HydrophobicContact CB-CG 3.52Å; L250-Y268 HydrophobicContact CD2-CD2 4.28Å; L250-Y268 HydrophobicContact CD2-CE2 3.71Å; L250-Y268 HydrophobicContact CG-CE2 4.42Å; E264-Y268 WeakPolarHBondContact O-CD2 3.5Å; E264-Y268 PolarHBondContact O-N 3.01Å; V265-Y268 PolarHBondContact O-N 3.32Å; Y268-I271 HydrophobicContact CD1-CD1 4.34Å; Y268-I271 PolarHBondContact O-N 3.14Å; Y268-H272 WeakPolarHBondContact O-CB 3.37Å; Y268-H272 PolarHBondContact O-N 3.38Å
269I98.7Very high96.7Very high0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-60.7-47172-68.3159.6000110.4I46 F48 Q62 L66 F106 I132 V265 N266 L267 H272 L273I46-I269 HydrophobicContact CD1-CG2 3.58Å; F48-I269 HydrophobicContact CE1-CD1 3.92Å; F48-I269 HydrophobicContact CZ-CD1 3.9Å; Q62-I269 HydrophobicContact CG-CD1 4.06Å; L66-I269 HydrophobicContact CD1-CD1 4.45Å; L66-I269 HydrophobicContact CD1-CG2 3.9Å; L66-I269 HydrophobicContact CD2-CB 4.5Å; L66-I269 HydrophobicContact CD2-CG2 3.94Å; F106-I269 HydrophobicContact CD2-CD1 3.84Å; F106-I269 HydrophobicContact CD2-CG1 3.88Å; F106-I269 HydrophobicContact CE2-CD1 3.83Å; F106-I269 HydrophobicContact CE2-CG1 4.03Å; I132-I269 HydrophobicContact CD1-CB 4.24Å; I132-I269 HydrophobicContact CD1-CG1 3.98Å; I132-I269 HydrophobicContact CD1-CG2 4.08Å; V265-I269 HydrophobicContact CG1-CD1 3.82Å; V265-I269 HydrophobicContact CG1-CG1 4.48Å; V265-I269 VanDerWaalsContact O-CG1 3.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.41Å; V265-I269 PolarHBondContact O-N 3.08Å; N266-I269 PolarHBondContact O-N 3.01Å; L267-I269 VanDerWaalsContact C-N 3.32Å; L267-I269 PolarHBondContact O-N 3.23Å; I269-H272 WeakPolarHBondContact O-CB 3.47Å; I269-H272 PolarHBondContact O-N 2.88Å; I269-L273 HydrophobicContact CG2-CD1 3.79Å; I269-L273 HydrophobicContact CG2-CG 4.37Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.24Å
270Q97.4Very high96.5Very high60 Ų6048.6 Ų48.628%0.2825%0.249SC..Hα-helixtrans-61.3-46.9178.1-170.4-176.538.600111.7W69 Y71 N266 L267 H272 L273 R274W69-Q270 HydrophobicContact CZ3-CB 4.27Å; Y71-Q270 HydrophobicContact CE2-CG 4.42Å; N266-Q270 PolarHBondContact O-N 3.11Å; L267-Q270 WeakPolarHBondContact O-CB 3.37Å; L267-Q270 PolarHBondContact O-N 3.15Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.2Å; Q270-L273 PolarHBondContact O-N 3.31Å; Q270-L273 VanDerWaalsContact O-N 3.17Å; Q270-R274 WeakPolarHBondContact O-CB 3.29Å; Q270-R274 PolarHBondContact O-N 2.89Å
271I96.9Very high96.5Very high77 Ų7750.8 Ų50.840%0.39526%0.257SS..Hα-helixtrans-59.2-40.6177.2-69166.6000111.2R246 L267 Y268R246-I271 PolarHBondContact NH1-O 2.83Å; L267-I271 HydrophobicContact CD1-CD1 4.1Å; L267-I271 HydrophobicContact CD1-CG1 4.36Å; L267-I271 HydrophobicContact CG-CD1 3.9Å; L267-I271 VanDerWaalsContact O-CG1 3.32Å; L267-I271 WeakPolarHBondContact O-CG1 3.4Å; L267-I271 PolarHBondContact O-N 3.25Å; Y268-I271 HydrophobicContact CD1-CD1 4.34Å; Y268-I271 PolarHBondContact O-N 3.14Å
272H98.1Very high96.5Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-63.7-47.7175.3178.590000111.5S130 L131 I132 T220 Y268 I269 Q270 R274 Q275 F276S130-H272 WeakPolarHBondContact CB-NE2 3.47Å; S130-H272 PolarHBondContact OG-NE2 3.2Å; L131-H272 PolarHBondContact O-CE1 3.06Å; L131-H272 VanDerWaalsContact O-CE1 3.3Å; I132-H272 HydrophobicContact CD1-CB 3.98Å; I132-H272 HydrophobicContact CG1-CB 4.18Å; T220-H272 WeakPolarHBondContact CB-ND1 3.43Å; T220-H272 PolarHBondContact OG1-ND1 2.71Å; Y268-H272 WeakPolarHBondContact O-CB 3.37Å; Y268-H272 PolarHBondContact O-N 3.38Å; I269-H272 WeakPolarHBondContact O-CB 3.47Å; I269-H272 PolarHBondContact O-N 2.88Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.2Å; H272-R274 PolarHBondContact O-N 3.1Å; H272-Q275 VanDerWaalsContact O-CG 3.28Å; H272-Q275 WeakPolarHBondContact O-CG 3.29Å; H272-Q275 PolarHBondContact O-NE2 2.86Å; H272-F276 AromaticContact NE2-CE2 3.96Å
273L97.8Very high96.5Very high2 Ų248.7 Ų48.71%0.0125%0.248CC..Hα-helixtrans-73.9-25.6-175.7-67.5174.2000113.6I46 Y71 H104 I269 Q270 Q275 F276 H277 A283I46-L273 HydrophobicContact CB-CD1 4.33Å; I46-L273 HydrophobicContact CD1-CD1 4.01Å; I46-L273 HydrophobicContact CG2-CD1 4.35Å; Y71-L273 HydrophobicContact CD1-CD1 3.73Å; Y71-L273 HydrophobicContact CE1-CB 3.86Å; Y71-L273 HydrophobicContact CE1-CD1 3.62Å; Y71-L273 HydrophobicContact CE1-CG 4.41Å; H104-L273 HydrophobicContact CB-CD2 3.91Å; I269-L273 HydrophobicContact CG2-CD1 3.79Å; I269-L273 HydrophobicContact CG2-CG 4.37Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.24Å; Q270-L273 PolarHBondContact O-N 3.31Å; Q270-L273 VanDerWaalsContact O-N 3.17Å; L273-Q275 PolarHBondContact O-N 3Å; L273-F276 HydrophobicContact CD2-CD2 4.44Å; L273-F276 WeakPolarHBondContact O-CD2 3.39Å; L273-F276 PolarHBondContact O-N 3.46Å; L273-H277 PolarHBondContact O-CD2 3.3Å; L273-A283 HydrophobicContact CD1-CB 4.27Å; L273-A283 HydrophobicContact CD2-CB 4.3Å
274R95.4Very high96.5Very high114 Ų11445.5 Ų45.543%0.4322%0.22SC..G310 helixtrans-54.9-27.8178.4-173.7173.7172-175.51.2113.2Q270 H272 F276 H277 E293 Q297Q270-R274 WeakPolarHBondContact O-CB 3.29Å; Q270-R274 PolarHBondContact O-N 2.89Å; H272-R274 PolarHBondContact O-N 3.1Å; R274-F276 PolarHBondContact O-N 3.24Å; R274-F276 VanDerWaalsContact O-N 3.14Å; R274-H277 PolarHBondContact O-N 2.95Å; R274-E293 IonicContact CZ-OE1 3.6Å; R274-E293 IonicContact NE-OE1 2.69Å; R274-E293 PolarHBondContact NE-OE1 2.98Å; R274-Q297 PolarHBondContact O-NE2 3.12Å
275Q94.1Very high96.4Very high52 Ų5243.7 Ų43.724%0.24321%0.214CC..G310 helixtrans-66.8-12.217882.1-167.3-62.800113.7H272 L273 Q297H272-Q275 VanDerWaalsContact O-CG 3.28Å; H272-Q275 WeakPolarHBondContact O-CG 3.29Å; H272-Q275 PolarHBondContact O-NE2 2.86Å; L273-Q275 PolarHBondContact O-N 3Å; Q275-Q297 PolarHBondContact O-NE2 3.08Å; Q275-Q297 PolarHBondContact O-OE1 3.23Å
276F95.5Very high96Very high17 Ų1748.6 Ų48.68%0.07525%0.245CC..G310 helixtrans-111.6-1.3-178.9-47.9-68.4000113.4H104 H129 A218 H272 L273 R274 T279 A282H104-F276 AromaticContact CE1-CD2 3.25Å; H104-F276 WeakPolarHBondContact CE1-CD2 3.42Å; H104-F276 AromaticContact CE1-CE2 3.51Å; H104-F276 AromaticContact CE1-CG 3.7Å; H104-F276 AromaticContact ND1-CD2 3.92Å; H104-F276 AromaticContact ND1-CE2 3.77Å; H129-F276 AromaticContact CD2-CD1 3.76Å; H129-F276 AromaticContact CD2-CE1 3.94Å; H129-F276 AromaticContact CE1-CE1 3.94Å; H129-F276 AromaticContact NE2-CD1 3.2Å; H129-F276 WeakPolarHBondContact NE2-CD1 3.39Å; H129-F276 AromaticContact NE2-CE1 3.49Å; H129-F276 WeakPolarHBondContact NE2-CE1 3.47Å; H129-F276 AromaticContact NE2-CG 3.97Å; A218-F276 HydrophobicContact CB-CZ 3.97Å; H272-F276 AromaticContact NE2-CE2 3.96Å; L273-F276 HydrophobicContact CD2-CD2 4.44Å; L273-F276 WeakPolarHBondContact O-CD2 3.39Å; L273-F276 PolarHBondContact O-N 3.46Å; R274-F276 PolarHBondContact O-N 3.24Å; R274-F276 VanDerWaalsContact O-N 3.14Å; F276-T279 WeakPolarHBondContact O-CB 3.33Å; F276-T279 WeakPolarHBondContact O-CG2 3.4Å; F276-T279 PolarHBondContact O-N 2.96Å; F276-T279 PolarHBondContact O-OG1 3.13Å; F276-A282 WeakPolarHBondContact O-CB 3.42Å
277H94.4Very high95.7Very high3 Ų352.5 Ų52.51%0.01428%0.278CS..THydrogen-bonded Turntrans-57.6143179.4-71.9-170.6000110.9Y71 L273 R274 T279 V289 E293Y71-H277 AromaticContact CE1-NE2 3.84Å; Y71-H277 AromaticContact CZ-NE2 3.74Å; Y71-H277 PolarHBondContact OH-CE1 3.29Å; Y71-H277 PolarHBondContact OH-NE2 3.42Å; L273-H277 PolarHBondContact O-CD2 3.3Å; R274-H277 PolarHBondContact O-N 2.95Å; H277-T279 PolarHBondContact O-N 3.12Å; H277-V289 HydrophobicContact CB-CG1 3.87Å; H277-V289 HydrophobicContact CB-CG2 4.22Å; H277-E293 IonicContact CE1-OE2 3.56Å; H277-E293 IonicContact ND1-OE2 2.69Å; H277-E293 PolarHBondContact ND1-OE2 3.07Å
278G89.9Confident95.4Very high59 Ų5953.5 Ų53.561%0.60828%0.282SS*.THydrogen-bonded Turntrans75.4-4.7-176.800000115.5L294G278-L294 VanDerWaalsContact CA-CD2 3.48Å
279T93.9Very high95Very high47 Ų4751.1 Ų51.129%0.28828%0.275SS..SBendtrans-95.9165.6173.379.50000111.3F276 H277 Y281 A282F276-T279 WeakPolarHBondContact O-CB 3.33Å; F276-T279 WeakPolarHBondContact O-CG2 3.4Å; F276-T279 PolarHBondContact O-N 2.96Å; F276-T279 PolarHBondContact O-OG1 3.13Å; H277-T279 PolarHBondContact O-N 3.12Å; T279-Y281 PolarHBondContact O-N 3.33Å; T279-Y281 VanDerWaalsContact O-N 3.09Å; T279-Y281 PolarHBondContact OG1-N 3.11Å; T279-Y281 VanDerWaalsContact OG1-N 3.15Å; T279-A282 WeakPolarHBondContact O-CB 3.43Å; T279-A282 PolarHBondContact O-N 3.05Å; T279-A282 VanDerWaalsContact O-N 3.1Å
280R94.3Very high94.4Very high205 Ų20553.5 Ų53.577%0.77429%0.291SS*.THydrogen-bonded Turntrans-63-13.3172.574.3178.6-172.8179.22.1114.1
281Y96.5Very high93.7Very high54 Ų5454 Ų5421%0.21231%0.306CS..THydrogen-bonded Turntrans-1018.4178.9-49-66.4000112.6C44 K102 H104 H129 T279 A283C44-Y281 WeakPolarHBondContact CB-O 3.45Å; C44-Y281 PolarHBondContact SG-O 3.05Å; C44-Y281 VanDerWaalsContact SG-O 3.41Å; K102-Y281 HydrophobicContact CB-CD1 4.41Å; K102-Y281 HydrophobicContact CD-CD1 4.28Å; K102-Y281 HydrophobicContact CD-CE1 3.81Å; K102-Y281 HydrophobicContact CG-CE1 4.39Å; H104-Y281 PolarHBondContact NE2-O 2.73Å; H129-Y281 WeakPolarHBondContact CD2-CB 3.27Å; H129-Y281 AromaticContact CD2-CG 3.71Å; H129-Y281 AromaticContact CE1-CD2 3.75Å; H129-Y281 VanDerWaalsContact NE2-CB 3.34Å; H129-Y281 WeakPolarHBondContact NE2-CB 3.38Å; H129-Y281 AromaticContact NE2-CD2 3.45Å; H129-Y281 WeakPolarHBondContact NE2-CD2 3.42Å; H129-Y281 AromaticContact NE2-CG 3.6Å; T279-Y281 PolarHBondContact O-N 3.33Å; T279-Y281 VanDerWaalsContact O-N 3.09Å; T279-Y281 PolarHBondContact OG1-N 3.11Å; T279-Y281 VanDerWaalsContact OG1-N 3.15Å; Y281-A283 PolarHBondContact O-N 2.89Å
282A96.9Very high93Very high13 Ų1357.3 Ų57.311%0.10732%0.319CS..  trans-60.5131.517400000110.8I42 F276 T279 I284I42-A282 WeakPolarHBondContact CG2-O 3.36Å; F276-A282 WeakPolarHBondContact O-CB 3.42Å; T279-A282 WeakPolarHBondContact O-CB 3.43Å; T279-A282 PolarHBondContact O-N 3.05Å; T279-A282 VanDerWaalsContact O-N 3.1Å; A282-I284 HydrophobicContact CB-CG2 4.3Å; A282-I284 PolarHBondContact O-N 3.27Å
283A97.4Very high92.1Very high2 Ų259 Ų592%0.01733%0.327CS..SBendtrans-82.71.8174.400000113.7C44 Y71 R72 L273 Y281C44-A283 VanDerWaalsContact O-CA 3.24Å; C44-A283 WeakPolarHBondContact O-CA 3.42Å; C44-A283 WeakPolarHBondContact O-CB 3.27Å; Y71-A283 CarbonylContact C-O 3.53Å; Y71-A283 VanDerWaalsContact CA-O 3.23Å; Y71-A283 WeakPolarHBondContact CA-O 3.43Å; Y71-A283 HydrophobicContact CD1-CB 3.94Å; R72-A283 PolarHBondContact N-O 3.1Å; L273-A283 HydrophobicContact CD1-CB 4.27Å; L273-A283 HydrophobicContact CD2-CB 4.3Å; Y281-A283 PolarHBondContact O-N 2.89Å
284I97.4Very high91.3Very high8 Ų861.5 Ų61.54%0.04134%0.34CS..BIsolated β-bridgetrans-116.9151.6-174.5-166.7176.1000111W69 Y71 A282 M288 V289W69-I284 WeakPolarHBondContact O-CD1 3.47Å; Y71-I284 HydrophobicContact CD1-CB 3.71Å; Y71-I284 HydrophobicContact CD1-CG1 4.32Å; Y71-I284 HydrophobicContact CD2-CD1 4.31Å; Y71-I284 HydrophobicContact CD2-CG1 4.33Å; Y71-I284 HydrophobicContact CE1-CB 3.63Å; Y71-I284 HydrophobicContact CE1-CD1 4.3Å; Y71-I284 HydrophobicContact CE1-CG1 4.27Å; Y71-I284 HydrophobicContact CE1-CG2 4.35Å; Y71-I284 HydrophobicContact CE2-CD1 3.83Å; Y71-I284 HydrophobicContact CE2-CG1 4.28Å; Y71-I284 HydrophobicContact CG-CB 4.19Å; Y71-I284 HydrophobicContact CG-CG1 4.34Å; A282-I284 HydrophobicContact CB-CG2 4.3Å; A282-I284 PolarHBondContact O-N 3.27Å; I284-M288 HydrophobicContact CD1-CB 3.89Å; I284-M288 HydrophobicContact CG1-CB 4.02Å; I284-V289 HydrophobicContact CG2-CG2 3.58Å
285D95.1Very high90.4Very high47 Ų4762.2 Ų62.225%0.25135%0.349SS..  trans-59.6128171.3-163.3-50.9000110.1P39 I42 G70 A287 M288P39-D285 HydrophobicContact CG-CB 4.18Å; I42-D285 VanDerWaalsContact CD1-N 3.34Å; G70-D285 PolarHBondContact O-N 3.41Å; D285-A287 PolarHBondContact O-N 2.92Å; D285-A287 VanDerWaalsContact O-N 3.11Å; D285-A287 WeakPolarHBondContact OD1-CB 3.46Å; D285-A287 PolarHBondContact OD1-N 3.24Å; D285-M288 HydrophobicContact CB-CB 4.43Å; D285-M288 HydrophobicContact CB-CG 3.94Å; D285-M288 WeakPolarHBondContact O-CB 3.4Å; D285-M288 PolarHBondContact O-N 2.93Å
286P92.1Very high89.6Confident102 Ų10262.9 Ų62.966%0.66236%0.356SS*.G310 helixtrans-53.5-30.2176.3-27.235.1000114.2M288 V289P286-M288 PolarHBondContact O-N 3.07Å; P286-V289 PolarHBondContact O-N 3.45Å
287A91.9Very high88.7Confident89 Ų8963.3 Ų63.374%0.73636%0.358SS*.G310 helixtrans-69.5-16.3178.100000113.6D285D285-A287 PolarHBondContact O-N 2.92Å; D285-A287 VanDerWaalsContact O-N 3.11Å; D285-A287 WeakPolarHBondContact OD1-CB 3.46Å; D285-A287 PolarHBondContact OD1-N 3.24Å
288M91.9Very high87.7Confident106 Ų10671.8 Ų71.852%0.52239%0.39SS..G310 helixtrans-96.8-1.7-178.7-61.4-69.5-7600112.7I284 D285 P286I284-M288 HydrophobicContact CD1-CB 3.89Å; I284-M288 HydrophobicContact CG1-CB 4.02Å; D285-M288 HydrophobicContact CB-CB 4.43Å; D285-M288 HydrophobicContact CB-CG 3.94Å; D285-M288 WeakPolarHBondContact O-CB 3.4Å; D285-M288 PolarHBondContact O-N 2.93Å; P286-M288 PolarHBondContact O-N 3.07Å
289V88.9Confident86.7Confident17 Ų1772 Ų7210%0.10338%0.382CS..SBendtrans-92.4128.9178.1-175.10000109.6H277 I284 P286 E293 L294H277-V289 HydrophobicContact CB-CG1 3.87Å; H277-V289 HydrophobicContact CB-CG2 4.22Å; I284-V289 HydrophobicContact CG2-CG2 3.58Å; P286-V289 PolarHBondContact O-N 3.45Å; V289-E293 HydrophobicContact CG1-CB 3.89Å; V289-L294 HydrophobicContact CG1-CD2 3.77Å; V289-L294 HydrophobicContact CG1-CG 3.8Å
290S87.1Confident85.5Confident50 Ų5075 Ų7535%0.3539%0.393SS..  trans-73.3155.5179.279.90000112.3E292 E293 L294S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 2.81Å; S290-E293 PolarHBondContact O-N 3.29Å; S290-E293 WeakPolarHBondContact OG-CG 3.49Å; S290-E293 PolarHBondContact OG-N 2.88Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 3.01Å
291A82.1Confident84.1Confident70 Ų7069.6 Ų69.658%0.57938%0.379SS*.Hα-helixtrans-59.3-40176.400000112.1E293 L294 E295A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 3.16Å; A291-L294 WeakPolarHBondContact O-CB 3.46Å; A291-L294 PolarHBondContact O-N 3.17Å; A291-L294 VanDerWaalsContact O-N 3.16Å; A291-E295 WeakPolarHBondContact O-CG 3.42Å; A291-E295 PolarHBondContact O-N 2.77Å
292E81.6Confident82.4Confident147 Ų14769.7 Ų69.769%0.68739%0.387SS*.Hα-helixtrans-60.8-40.6176.8-63.2164.5-17900111.7S290 L294 E295 V296S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 2.81Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 2.84Å; E292-E295 PolarHBondContact O-N 3.11Å; E292-V296 WeakPolarHBondContact O-CG2 3.47Å; E292-V296 PolarHBondContact O-N 3.44Å; E292-V296 VanDerWaalsContact O-N 3.1Å
293E79.3Confident80.6Confident36 Ų3677.1 Ų77.117%0.16841%0.414CS..Hα-helixtrans-64.6-38175.8-75.3-172166.400112.3R274 H277 V289 S290 A291 Q297R274-E293 IonicContact CZ-OE1 3.6Å; R274-E293 IonicContact NE-OE1 2.69Å; R274-E293 PolarHBondContact NE-OE1 2.98Å; H277-E293 IonicContact CE1-OE2 3.56Å; H277-E293 IonicContact ND1-OE2 2.69Å; H277-E293 PolarHBondContact ND1-OE2 3.07Å; V289-E293 HydrophobicContact CG1-CB 3.89Å; S290-E293 PolarHBondContact O-N 3.29Å; S290-E293 WeakPolarHBondContact OG-CG 3.49Å; S290-E293 PolarHBondContact OG-N 2.88Å; A291-E293 VanDerWaalsContact C-N 3.33Å; A291-E293 PolarHBondContact O-N 3.16Å; E293-Q297 WeakPolarHBondContact O-CG 3.47Å; E293-Q297 PolarHBondContact O-N 2.85Å; E293-Q297 VanDerWaalsContact O-N 3.16Å
294L80.8Confident78.7Confident53 Ų5381.5 Ų81.528%0.27744%0.437SS..Hα-helixtrans-69-36.2176.7-65.6171.3000112.1G278 V289 S290 A291 E292 Q297 R298G278-L294 VanDerWaalsContact CA-CD2 3.48Å; V289-L294 HydrophobicContact CG1-CD2 3.77Å; V289-L294 HydrophobicContact CG1-CG 3.8Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 3.01Å; A291-L294 WeakPolarHBondContact O-CB 3.46Å; A291-L294 PolarHBondContact O-N 3.17Å; A291-L294 VanDerWaalsContact O-N 3.16Å; E292-L294 VanDerWaalsContact C-N 3.33Å; E292-L294 PolarHBondContact O-N 2.84Å; L294-Q297 PolarHBondContact O-N 2.72Å; L294-R298 WeakPolarHBondContact O-CG 3.17Å; L294-R298 PolarHBondContact O-N 2.97Å
295E78.3Confident76.6Confident130 Ų13087.1 Ų87.161%0.60746%0.463SS*.Hα-helixtrans-66.8-44.9177-75.8179.4-18000112.1A291 E292 Q297 R298 S299A291-E295 WeakPolarHBondContact O-CG 3.42Å; A291-E295 PolarHBondContact O-N 2.77Å; E292-E295 PolarHBondContact O-N 3.11Å; E295-Q297 PolarHBondContact O-N 3.47Å; E295-R298 PolarHBondContact O-N 3.41Å; E295-S299 PolarHBondContact O-N 3.42Å; E295-S299 VanDerWaalsContact O-N 3.08Å; E295-S299 PolarHBondContact O-OG 2.67Å
296V77.1Confident74.3Confident65 Ų6589.7 Ų89.739%0.39448%0.477SS..Hα-helixtrans-60.1-36.6174.6172.40000111.1E292 S299 H300E292-V296 WeakPolarHBondContact O-CG2 3.47Å; E292-V296 PolarHBondContact O-N 3.44Å; E292-V296 VanDerWaalsContact O-N 3.1Å; V296-S299 PolarHBondContact O-OG 3.46Å; V296-H300 PolarHBondContact O-CD2 2.97Å; V296-H300 PolarHBondContact O-N 2.99Å; V296-H300 VanDerWaalsContact O-N 3.16Å
297Q75.4Confident72.3Confident27 Ų2787.2 Ų87.213%0.12646%0.462CS..Hα-helixtrans-67.6-43.1175.7-80.6-64.7-18.700113.2R274 Q275 E293 L294 E295 S299 H300 L301R274-Q297 PolarHBondContact O-NE2 3.12Å; Q275-Q297 PolarHBondContact O-NE2 3.08Å; Q275-Q297 PolarHBondContact O-OE1 3.23Å; E293-Q297 WeakPolarHBondContact O-CG 3.47Å; E293-Q297 PolarHBondContact O-N 2.85Å; E293-Q297 VanDerWaalsContact O-N 3.16Å; L294-Q297 PolarHBondContact O-N 2.72Å; E295-Q297 PolarHBondContact O-N 3.47Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.39Å; Q297-H300 PolarHBondContact O-N 3.32Å; Q297-L301 WeakPolarHBondContact O-CG 3.29Å; Q297-L301 PolarHBondContact O-N 2.58Å
298R73.1Confident70.1Confident181 Ų18190.1 Ų90.168%0.68346%0.46SS*.Hα-helixtrans-62-40.4177.8-74-179.3-163.6171.36.6111.9L294 E295 L301 S302L294-R298 WeakPolarHBondContact O-CG 3.17Å; L294-R298 PolarHBondContact O-N 2.97Å; E295-R298 PolarHBondContact O-N 3.41Å; R298-L301 PolarHBondContact O-N 3.19Å; R298-S302 PolarHBondContact O-N 3.1Å; R298-S302 PolarHBondContact O-OG 3.34Å
299S70.2Confident67.9Low64 Ų6491.5 Ų91.545%0.44847%0.469SS..Hα-helixtrans-69-35.9178.759.90000112.9E295 V296 Q297 S302 Y303E295-S299 PolarHBondContact O-N 3.42Å; E295-S299 VanDerWaalsContact O-N 3.08Å; E295-S299 PolarHBondContact O-OG 2.67Å; V296-S299 PolarHBondContact O-OG 3.46Å; Q297-S299 VanDerWaalsContact C-N 3.31Å; Q297-S299 PolarHBondContact O-N 3.39Å; S299-S302 WeakPolarHBondContact CA-OG 3.27Å; S299-S302 PolarHBondContact O-OG 2.67Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.17Å; S299-Y303 VanDerWaalsContact O-N 3.13Å
300H68.6Low65.8Low109 Ų10997.4 Ų97.451%0.50550%0.5SS..Hα-helixtrans-67.2-40172.5-82-60.6000112.9V296 Q297 Y303 N304V296-H300 PolarHBondContact O-CD2 2.97Å; V296-H300 PolarHBondContact O-N 2.99Å; V296-H300 VanDerWaalsContact O-N 3.16Å; Q297-H300 PolarHBondContact O-N 3.32Å; H300-Y303 PolarHBondContact O-N 3Å; H300-N304 PolarHBondContact O-N 3.48Å
301L64.6Low63.4Low92 Ų92106.1 Ų106.148%0.48254%0.536SS..Hα-helixtrans-66.4-42.6177.1-74.8166.5000112.2Q297 R298 Y303 N304 Q305Q297-L301 WeakPolarHBondContact O-CG 3.29Å; Q297-L301 PolarHBondContact O-N 2.58Å; R298-L301 PolarHBondContact O-N 3.19Å; L301-Y303 VanDerWaalsContact C-N 3.34Å; L301-Y303 PolarHBondContact O-N 3.23Å; L301-N304 PolarHBondContact O-N 2.92Å; L301-Q305 PolarHBondContact O-N 3.36Å; L301-Q305 VanDerWaalsContact O-N 3.11Å
302S61Low62.5Low55 Ų55108 Ų10839%0.38553%0.534SS..Hα-helixtrans-64.2-40.417758.50000111.9R298 S299 N304 Q305 D306R298-S302 PolarHBondContact O-N 3.1Å; R298-S302 PolarHBondContact O-OG 3.34Å; S299-S302 WeakPolarHBondContact CA-OG 3.27Å; S299-S302 PolarHBondContact O-OG 2.67Å; S302-N304 VanDerWaalsContact C-N 3.35Å; S302-N304 PolarHBondContact O-N 3.01Å; S302-Q305 PolarHBondContact O-N 2.85Å; S302-D306 PolarHBondContact O-N 3.34Å
303Y58.5Low61.5Low169 Ų169105.9 Ų105.966%0.66353%0.526SS*.Hα-helixtrans-64.9-38179.7-165.1-95.8000112.8S299 H300 L301 S307S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 3.17Å; S299-Y303 VanDerWaalsContact O-N 3.13Å; H300-Y303 PolarHBondContact O-N 3Å; L301-Y303 VanDerWaalsContact C-N 3.34Å; L301-Y303 PolarHBondContact O-N 3.23Å; Y303-S307 PolarHBondContact O-N 3.43Å; Y303-S307 PolarHBondContact O-OG 3.01Å
304N57.7Low60.5Low94 Ų94109.8 Ų109.850%0.50355%0.545SS..Hα-helixtrans-72.6-34.7177.3-73.6-10000112.5H300 L301 S302 S307 E308H300-N304 PolarHBondContact O-N 3.48Å; L301-N304 PolarHBondContact O-N 2.92Å; S302-N304 VanDerWaalsContact C-N 3.35Å; S302-N304 PolarHBondContact O-N 3.01Å; N304-S307 WeakPolarHBondContact CA-OG 3.06Å; N304-S307 PolarHBondContact O-N 3.39Å; N304-S307 PolarHBondContact O-OG 3.39Å; N304-E308 PolarHBondContact O-N 2.68Å; N304-E308 VanDerWaalsContact O-N 3.14Å
305Q52.5Low59.3Low127 Ų127113.1 Ų113.159%0.59356%0.561SS**Hα-helixtrans-65.7-43.8174-76.9179.8-38.600111.8L301 S302 S307 E308 D309L301-Q305 PolarHBondContact O-N 3.36Å; L301-Q305 VanDerWaalsContact O-N 3.11Å; S302-Q305 PolarHBondContact O-N 2.85Å; Q305-S307 PolarHBondContact O-N 3.34Å; Q305-E308 PolarHBondContact O-N 2.92Å; Q305-D309 PolarHBondContact O-N 3.19Å
306D47.8Very low58.1Low101 Ų101112.1 Ų112.154%0.5456%0.558SS.*Hα-helixtrans-66.1-20.2178.3-70.6-23.2000113.4S302 N310S302-D306 PolarHBondContact O-N 3.34Å; D306-N310 PolarHBondContact O-ND2 3.35Å
307S50.8Low56.9Low49 Ų49115.2 Ų115.234%0.34357%0.569SS.*Hα-helixtrans-93.9-21.3177.635.60000113.9Y303 N304 Q305Y303-S307 PolarHBondContact O-N 3.43Å; Y303-S307 PolarHBondContact O-OG 3.01Å; N304-S307 WeakPolarHBondContact CA-OG 3.06Å; N304-S307 PolarHBondContact O-N 3.39Å; N304-S307 PolarHBondContact O-OG 3.39Å; Q305-S307 PolarHBondContact O-N 3.34Å
308E45.6Very low55.6Low151 Ų151121.5 Ų121.571%0.70660%0.601SS**Hα-helixtrans-79.4-33.8168.4-73.9-177.3169.800112.2N304 Q305 N310N304-E308 PolarHBondContact O-N 2.68Å; N304-E308 VanDerWaalsContact O-N 3.14Å; Q305-E308 PolarHBondContact O-N 2.92Å; E308-N310 PolarHBondContact O-N 3.37Å
309D45.7Very low54.2Low134 Ų134116.9 Ų116.972%0.71760%0.595SS**THydrogen-bonded Turntrans-75.2-7.8177.2-78.5-19.7000113.9Q305Q305-D309 PolarHBondContact O-N 3.19Å
310N44.9Very low52.9Low141 Ų141121.3 Ų121.375%0.75461%0.607SS**THydrogen-bonded Turntrans-108.714.5179.6-82.5-48.4000114D306 E308D306-N310 PolarHBondContact O-ND2 3.35Å; E308-N310 PolarHBondContact O-N 3.37Å
311Q36.9Very low51.5Low234 Ų234122.5 Ų122.5100%1.09362%0.616SS**  trans-118.70171.6-72-174.81500111.6

Retrieved 311 of 311 residues in 392.4 ms (Link to these results)

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