A0A077ZJI5_TRITR Loading...

CCHC-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZJI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 331 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
1M56.4Low76.5Confident123 Ų12389.6 Ų89.661%0.60656%0.561SS**  094.10-70178.9173.400107.5S41 L43M1-S41 WeakPolarHBondContact CE-OG 3.34Å; M1-S41 WeakPolarHBondContact CG-OG 3.37Å; M1-S41 PolarHBondContact SD-OG 3.01Å; M1-S41 VanDerWaalsContact SD-OG 3.34Å; M1-L43 HydrophobicContact SD-CD2 3.72Å
2T63.2Low77.6Confident131 Ų13188.1 Ų88.180%0.80455%0.553SS**PPolyproline II helixtrans-82.8129.7179.72.80000108.5
3Q69.4Low78.9Confident89 Ų8981.8 Ų81.842%0.41651%0.512SS..PPolyproline II helixtrans-60.8138.4171.1179.6180-15.800109P5 Y34 A38 F39Q3-P5 WeakPolarHBondContact O-CD 3.34Å; Q3-Y34 PolarHBondContact NE2-OH 3.23Å; Q3-A38 WeakPolarHBondContact CA-O 3.3Å; Q3-A38 HydrophobicContact CG-CB 4.15Å; Q3-F39 HydrophobicContact CB-CE1 4.4Å
4V75.5Confident79.9Confident51 Ų5176.8 Ų76.831%0.30948%0.48SS..PPolyproline II helixtrans-70.8121.2170.8-179.40000108.1F7 A38 P40V4-F7 HydrophobicContact CB-CD2 3.96Å; V4-F7 HydrophobicContact CB-CE2 3.75Å; V4-F7 HydrophobicContact CG1-CD2 4.13Å; V4-F7 HydrophobicContact CG1-CE2 3.66Å; V4-A38 PolarHBondContact N-O 2.81Å; V4-P40 HydrophobicContact CG2-CG 3.4Å; V4-P40 VanDerWaalsContact CG2-CG 3.4Å
5P76.1Confident80.6Confident117 Ų11778.7 Ų78.776%0.7648%0.481SS*.THydrogen-bonded Turntrans-65.2150.917826.3-32.4000110.9Q3Q3-P5 WeakPolarHBondContact O-CD 3.34Å
6G80.1Confident81.2Confident85 Ų8581.6 Ų81.688%0.87649%0.487SS*.THydrogen-bonded Turntrans100.8-10.5175.500000115.7
7F81.9Confident81.7Confident90 Ų9082.8 Ų82.840%0.39550%0.498SS..PPolyproline II helixtrans-84.1123.7171.1-65.9-68.9000111.1V4 V9 Y34 A37 A38V4-F7 HydrophobicContact CB-CD2 3.96Å; V4-F7 HydrophobicContact CB-CE2 3.75Å; V4-F7 HydrophobicContact CG1-CD2 4.13Å; V4-F7 HydrophobicContact CG1-CE2 3.66Å; F7-V9 PolarHBondContact O-N 2.95Å; F7-Y34 HydrophobicContact CB-CD2 4.29Å; F7-Y34 HydrophobicContact CB-CE2 4.24Å; F7-A37 HydrophobicContact CD1-CB 3.87Å; F7-A37 HydrophobicContact CE1-CB 3.64Å; F7-A37 HydrophobicContact CE2-CB 4.3Å; F7-A37 WeakPolarHBondContact CE2-O 3.42Å; F7-A37 HydrophobicContact CG-CB 4.31Å; F7-A37 HydrophobicContact CZ-CB 3.87Å; F7-A38 HydrophobicContact CB-CB 4.15Å; F7-A38 HydrophobicContact CD2-CB 4.15Å; F7-A38 HydrophobicContact CG-CB 4.39Å
8S82.6Confident82.1Confident104 Ų10481.6 Ų81.673%0.72750%0.504SS*.PPolyproline II helixtrans-67.3125.3173.9550000110.3Y34S8-Y34 WeakPolarHBondContact O-CD2 3.34Å
9V83.7Confident82.3Confident92 Ų9284.5 Ų84.556%0.55852%0.522SS*.PPolyproline II helixtrans-61.2138.4171.6-173.50000108.7F7 Y34F7-V9 PolarHBondContact O-N 2.95Å; V9-Y34 HydrophobicContact CB-CE2 4.43Å; V9-Y34 HydrophobicContact CG2-CE2 4.13Å
10P85.1Confident82.6Confident14 Ų1482 Ų829%0.09151%0.507CS..PPolyproline II helixtrans-54.1145.2173.5-24.132.1000111.1I30 Y34P10-I30 HydrophobicContact CB-CG2 4.01Å; P10-I30 HydrophobicContact CG-CG2 4.24Å; P10-Y34 VanDerWaalsContact CD-CG 3.41Å; P10-Y34 HydrophobicContact CG-CD1 4.11Å; P10-Y34 HydrophobicContact CG-CG 3.88Å
11S87.9Confident82.8Confident90 Ų9082.9 Ų82.963%0.62952%0.523SS*.PPolyproline II helixtrans-56.2144.5173.1-56.30000110.8F13 W27S11-F13 PolarHBondContact O-N 3.14Å; S11-W27 PolarHBondContact O-NE1 2.92Å; S11-W27 VanDerWaalsContact O-NE1 3.11Å
12P89.8Confident84.3Confident71 Ų7179.8 Ų79.846%0.46151%0.508SS..PPolyproline II helixtrans-48.7130.5171.3-29.136.6000111.3V57P12-V57 HydrophobicContact CB-CB 4.44Å; P12-V57 HydrophobicContact CB-CG1 3.79Å; P12-V57 HydrophobicContact CB-CG2 3.78Å; P12-V57 HydrophobicContact CG-CG1 4.33Å
13F93.5Very high85.5Confident6 Ų676.6 Ų76.63%0.02649%0.489CS..SBendtrans-70.7-54.3-177.2-177.7-120.2000112.4S11 P20 F24 W27 A55 I56 F85S11-F13 PolarHBondContact O-N 3.14Å; F13-P20 HydrophobicContact CD2-CB 4.17Å; F13-P20 HydrophobicContact CE1-CB 4.4Å; F13-P20 HydrophobicContact CE1-CG 3.93Å; F13-P20 HydrophobicContact CE2-CB 3.57Å; F13-P20 HydrophobicContact CE2-CG 3.87Å; F13-P20 HydrophobicContact CZ-CB 3.69Å; F13-P20 HydrophobicContact CZ-CG 3.41Å; F13-P20 VanDerWaalsContact CZ-CG 3.41Å; F13-F24 HydrophobicContact CD1-CD2 4.29Å; F13-F24 AromaticContact CE1-CD2 3.73Å; F13-F24 HydrophobicContact CE1-CD2 3.73Å; F13-F24 HydrophobicContact CE1-CE2 4.48Å; F13-F24 HydrophobicContact CE2-CB 4.05Å; F13-F24 AromaticContact CE2-CD2 3.96Å; F13-F24 HydrophobicContact CE2-CD2 3.96Å; F13-F24 HydrophobicContact CZ-CB 3.73Å; F13-F24 AromaticContact CZ-CD2 3.54Å; F13-F24 HydrophobicContact CZ-CD2 3.54Å; F13-F24 HydrophobicContact CZ-CG 4.13Å; F13-W27 HydrophobicContact CB-CD2 3.92Å; F13-W27 HydrophobicContact CB-CG 4.16Å; F13-W27 HydrophobicContact CB-CZ2 3.94Å; F13-W27 HydrophobicContact CD2-CB 3.66Å; F13-W27 AromaticContact CD2-CD1 3.79Å; F13-W27 AromaticContact CD2-CD2 3.72Å; F13-W27 HydrophobicContact CD2-CD2 3.72Å; F13-W27 HydrophobicContact CD2-CE3 4.23Å; F13-W27 AromaticContact CD2-CG 3.42Å; F13-W27 HydrophobicContact CD2-CG 3.42Å; F13-W27 VanDerWaalsContact CD2-CG 3.42Å; F13-W27 HydrophobicContact CE2-CB 4.01Å; F13-W27 HydrophobicContact CE2-CG 4.24Å; F13-W27 AromaticContact CG-CD2 3.93Å; F13-W27 HydrophobicContact CG-CD2 3.93Å; F13-W27 HydrophobicContact CG-CE3 4.32Å; F13-W27 HydrophobicContact CG-CG 4.07Å; F13-A55 PolarHBondContact N-O 3.38Å; F13-A55 VanDerWaalsContact N-O 3.12Å; F13-I56 HydrophobicContact CB-CB 4.27Å; F13-I56 HydrophobicContact CB-CG2 4.22Å; F13-I56 HydrophobicContact CD1-CB 4.36Å; F13-I56 HydrophobicContact CD1-CG2 4.17Å; F13-I56 HydrophobicContact CG-CG2 4.49Å; F13-F85 HydrophobicContact CD1-CD2 4.32Å; F13-F85 HydrophobicContact CD1-CE2 4.21Å; F13-F85 HydrophobicContact CD1-CZ 4.36Å; F13-F85 HydrophobicContact CE1-CB 4.05Å; F13-F85 AromaticContact CE1-CD1 3.65Å; F13-F85 HydrophobicContact CE1-CD1 3.65Å; F13-F85 AromaticContact CE1-CD2 3.58Å; F13-F85 HydrophobicContact CE1-CD2 3.58Å; F13-F85 AromaticContact CE1-CE1 3.91Å; F13-F85 HydrophobicContact CE1-CE1 3.91Å; F13-F85 AromaticContact CE1-CE2 3.84Å; F13-F85 HydrophobicContact CE1-CE2 3.84Å; F13-F85 AromaticContact CE1-CG 3.48Å; F13-F85 HydrophobicContact CE1-CG 3.48Å; F13-F85 VanDerWaalsContact CE1-CG 3.48Å; F13-F85 HydrophobicContact CE1-CZ 4.01Å; F13-F85 HydrophobicContact CZ-CB 4.04Å; F13-F85 HydrophobicContact CZ-CD1 4.32Å; F13-F85 HydrophobicContact CZ-CD2 4.34Å; F13-F85 AromaticContact CZ-CG 4Å; F13-F85 HydrophobicContact CZ-CG 4Å
14L92.9Very high86.5Confident12 Ų1272.8 Ų72.86%0.06347%0.471CS..  trans-148.784.1-173-172.264.9000110H16 P20 V57 E59 G60 L63 F85L14-H16 VanDerWaalsContact CD1-O 3.27Å; L14-H16 WeakPolarHBondContact CD1-O 3.37Å; L14-P20 HydrophobicContact CD1-CG 4.08Å; L14-V57 WeakPolarHBondContact O-CG2 3.31Å; L14-E59 HydrophobicContact CD2-CB 4.43Å; L14-E59 HydrophobicContact CD2-CG 3.89Å; L14-E59 HydrophobicContact CG-CB 4.08Å; L14-E59 HydrophobicContact CG-CG 3.93Å; L14-E59 WeakPolarHBondContact O-CB 3.43Å; L14-E59 PolarHBondContact O-N 2.85Å; L14-G60 PolarHBondContact O-N 3.47Å; L14-G60 VanDerWaalsContact O-N 3.13Å; L14-L63 HydrophobicContact CD2-CD1 3.9Å; L14-F85 HydrophobicContact CD2-CE1 3.81Å
15E90.8Very high87.2Confident105 Ų10577.5 Ų77.549%0.49148%0.484SS..SBendtrans-78.8-31.4-178.3-169.4173.5-165.200112.9V57E15-V57 HydrophobicContact CB-CG2 3.77Å; E15-V57 HydrophobicContact CG-CG2 4.35Å
16H91Very high87.8Confident125 Ų12574.1 Ų74.158%0.57946%0.461SS*.SBendtrans-130.5154.6-174.8-45.690.6000109.9L14 G18L14-H16 VanDerWaalsContact CD1-O 3.27Å; L14-H16 WeakPolarHBondContact CD1-O 3.37Å; H16-G18 PolarHBondContact O-N 2.8Å
17P89.6Confident88.4Confident103 Ų10370.1 Ų70.167%0.66942%0.42SS*.SBendtrans-52.4133172.9-2633.1000112.3E59P17-E59 HydrophobicContact CG-CG 4.44Å
18G87.7Confident88.8Confident60 Ų6069 Ų6962%0.61941%0.412SS*.SBendtrans141.2-159177.200000113.9H16H16-G18 PolarHBondContact O-N 2.8Å
19T85.9Confident89.2Confident137 Ų13772.5 Ų72.584%0.8441%0.41SS*.  trans-84.4129.6176.2-54.10000109.9
20P88.2Confident89.6Confident35 Ų3571.9 Ų71.923%0.22740%0.403CS..  trans-54.6148.6172-23.230.9000112.2F13 L14 I22F13-P20 HydrophobicContact CD2-CB 4.17Å; F13-P20 HydrophobicContact CE1-CB 4.4Å; F13-P20 HydrophobicContact CE1-CG 3.93Å; F13-P20 HydrophobicContact CE2-CB 3.57Å; F13-P20 HydrophobicContact CE2-CG 3.87Å; F13-P20 HydrophobicContact CZ-CB 3.69Å; F13-P20 HydrophobicContact CZ-CG 3.41Å; F13-P20 VanDerWaalsContact CZ-CG 3.41Å; L14-P20 HydrophobicContact CD1-CG 4.08Å; P20-I22 WeakPolarHBondContact CB-O 3.22Å; P20-I22 PolarHBondContact O-N 2.66Å
21A87.4Confident89.9Confident101 Ų10171.4 Ų71.484%0.83540%0.4SS*.SBendtrans-63.7-28.6-179.600000113.3
22I88.3Confident90Very high58 Ų5869.9 Ų69.930%0.29738%0.383SS..SBendtrans-135.1152.1174.457.5170.9000109.9P20 T26 W27 I30P20-I22 WeakPolarHBondContact CB-O 3.22Å; P20-I22 PolarHBondContact O-N 2.66Å; I22-T26 HydrophobicContact CD1-CG2 4.27Å; I22-W27 HydrophobicContact CD1-CB 3.76Å; I22-W27 HydrophobicContact CD1-CG 4.45Å; I22-W27 HydrophobicContact CG1-CB 4.02Å; I22-I30 HydrophobicContact CD1-CD1 3.85Å
23P88.2Confident90Very high63 Ų6371 Ų7141%0.40939%0.385SS..  trans-57144.7176.5-27.537.7000112.8R25 T26 W27 E118P23-R25 PolarHBondContact O-N 2.93Å; P23-R25 VanDerWaalsContact O-N 3.17Å; P23-T26 WeakPolarHBondContact O-CB 3.2Å; P23-T26 PolarHBondContact O-N 3.13Å; P23-W27 PolarHBondContact O-N 2.95Å; P23-E118 VanDerWaalsContact CD-OE1 3.24Å; P23-E118 WeakPolarHBondContact CD-OE1 3.23Å; P23-E118 HydrophobicContact CG-CG 4.43Å; P23-E118 VanDerWaalsContact CG-OE1 3.27Å; P23-E118 WeakPolarHBondContact CG-OE1 3.28Å
24F91.1Very high89.9Confident9 Ų972 Ų724%0.03939%0.389CS..Hα-helixtrans-53.7-40.1-178.3-177.8-99.7000112.9F13 T26 W27 R28 L81 E82 F85F13-F24 HydrophobicContact CD1-CD2 4.29Å; F13-F24 AromaticContact CE1-CD2 3.73Å; F13-F24 HydrophobicContact CE1-CD2 3.73Å; F13-F24 HydrophobicContact CE1-CE2 4.48Å; F13-F24 HydrophobicContact CE2-CB 4.05Å; F13-F24 AromaticContact CE2-CD2 3.96Å; F13-F24 HydrophobicContact CE2-CD2 3.96Å; F13-F24 HydrophobicContact CZ-CB 3.73Å; F13-F24 AromaticContact CZ-CD2 3.54Å; F13-F24 HydrophobicContact CZ-CD2 3.54Å; F13-F24 HydrophobicContact CZ-CG 4.13Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 3.08Å; F24-W27 HydrophobicContact CD2-CE3 4.01Å; F24-W27 HydrophobicContact CD2-CZ3 4.4Å; F24-W27 AromaticContact CE2-CE3 3.71Å; F24-W27 HydrophobicContact CE2-CE3 3.71Å; F24-W27 AromaticContact CE2-CZ3 3.68Å; F24-W27 HydrophobicContact CE2-CZ3 3.68Å; F24-W27 HydrophobicContact CZ-CE3 4.4Å; F24-W27 HydrophobicContact CZ-CZ3 4.24Å; F24-W27 PolarHBondContact O-N 3.12Å; F24-R28 HydrophobicContact CE1-CB 4.28Å; F24-R28 VanDerWaalsContact O-CB 3.25Å; F24-R28 WeakPolarHBondContact O-CB 3.3Å; F24-R28 PolarHBondContact O-N 3.14Å; F24-L81 HydrophobicContact CE1-CB 4.24Å; F24-L81 HydrophobicContact CE2-CB 3.87Å; F24-L81 HydrophobicContact CZ-CB 3.43Å; F24-L81 VanDerWaalsContact CZ-CB 3.43Å; F24-L81 HydrophobicContact CZ-CD1 4.44Å; F24-E82 HydrophobicContact CD1-CG 3.94Å; F24-E82 HydrophobicContact CE1-CB 4.29Å; F24-E82 HydrophobicContact CE1-CG 3.45Å; F24-E82 VanDerWaalsContact CE1-CG 3.45Å; F24-F85 HydrophobicContact CB-CB 3.69Å; F24-F85 HydrophobicContact CD2-CB 3.79Å; F24-F85 AromaticContact CD2-CD2 3.59Å; F24-F85 HydrophobicContact CD2-CD2 3.59Å; F24-F85 HydrophobicContact CD2-CG 4.04Å; F24-F85 AromaticContact CE2-CD2 3.71Å; F24-F85 HydrophobicContact CE2-CD2 3.71Å; F24-F85 HydrophobicContact CE2-CE2 4.41Å; F24-F85 HydrophobicContact CG-CB 3.73Å; F24-F85 HydrophobicContact CG-CD2 4.33Å; F24-F85 HydrophobicContact CG-CG 4.47Å
25R88.7Confident89.7Confident150 Ų15072.4 Ų72.457%0.56639%0.391SS*.Hα-helixtrans-57.6-45.2175.5178.5-176.7169.9128.5-8112.4P23 R29P23-R25 PolarHBondContact O-N 2.93Å; P23-R25 VanDerWaalsContact O-N 3.17Å; R25-R29 PolarHBondContact O-N 3.29Å
26T88.8Confident89.6Confident46 Ų4675 Ų7528%0.28240%0.403SS..Hα-helixtrans-66.2-46.5178.8-57.10000110I22 P23 F24 R29 I30 E118I22-T26 HydrophobicContact CD1-CG2 4.27Å; P23-T26 WeakPolarHBondContact O-CB 3.2Å; P23-T26 PolarHBondContact O-N 3.13Å; F24-T26 VanDerWaalsContact C-N 3.34Å; F24-T26 PolarHBondContact O-N 3.08Å; T26-R29 PolarHBondContact O-N 2.66Å; T26-I30 HydrophobicContact CG2-CD1 4.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.47Å; T26-I30 PolarHBondContact O-N 3.42Å; T26-E118 PolarHBondContact OG1-OE1 3.38Å
27W92.6Very high89.4Confident2 Ų270.8 Ų70.81%0.00839%0.391CS..Hα-helixtrans-60.3-46176.1179.185.9000112.6S11 F13 I22 P23 F24 R29 I30 S31 L52 A55 I56S11-W27 PolarHBondContact O-NE1 2.92Å; S11-W27 VanDerWaalsContact O-NE1 3.11Å; F13-W27 HydrophobicContact CB-CD2 3.92Å; F13-W27 HydrophobicContact CB-CG 4.16Å; F13-W27 HydrophobicContact CB-CZ2 3.94Å; F13-W27 HydrophobicContact CD2-CB 3.66Å; F13-W27 AromaticContact CD2-CD1 3.79Å; F13-W27 AromaticContact CD2-CD2 3.72Å; F13-W27 HydrophobicContact CD2-CD2 3.72Å; F13-W27 HydrophobicContact CD2-CE3 4.23Å; F13-W27 AromaticContact CD2-CG 3.42Å; F13-W27 HydrophobicContact CD2-CG 3.42Å; F13-W27 VanDerWaalsContact CD2-CG 3.42Å; F13-W27 HydrophobicContact CE2-CB 4.01Å; F13-W27 HydrophobicContact CE2-CG 4.24Å; F13-W27 AromaticContact CG-CD2 3.93Å; F13-W27 HydrophobicContact CG-CD2 3.93Å; F13-W27 HydrophobicContact CG-CE3 4.32Å; F13-W27 HydrophobicContact CG-CG 4.07Å; I22-W27 HydrophobicContact CD1-CB 3.76Å; I22-W27 HydrophobicContact CD1-CG 4.45Å; I22-W27 HydrophobicContact CG1-CB 4.02Å; P23-W27 PolarHBondContact O-N 2.95Å; F24-W27 HydrophobicContact CD2-CE3 4.01Å; F24-W27 HydrophobicContact CD2-CZ3 4.4Å; F24-W27 AromaticContact CE2-CE3 3.71Å; F24-W27 HydrophobicContact CE2-CE3 3.71Å; F24-W27 AromaticContact CE2-CZ3 3.68Å; F24-W27 HydrophobicContact CE2-CZ3 3.68Å; F24-W27 HydrophobicContact CZ-CE3 4.4Å; F24-W27 HydrophobicContact CZ-CZ3 4.24Å; F24-W27 PolarHBondContact O-N 3.12Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 3.41Å; W27-I30 PolarHBondContact O-N 3.07Å; W27-I30 VanDerWaalsContact O-N 3.11Å; W27-S31 WeakPolarHBondContact CZ2-OG 3.35Å; W27-S31 WeakPolarHBondContact O-CB 3.39Å; W27-S31 PolarHBondContact O-N 3.13Å; W27-S31 PolarHBondContact O-OG 3.39Å; W27-L52 HydrophobicContact CH2-CD1 3.48Å; W27-L52 VanDerWaalsContact CH2-CD1 3.48Å; W27-L52 HydrophobicContact CH2-CG 4.24Å; W27-L52 HydrophobicContact CZ3-CD1 3.6Å; W27-L52 HydrophobicContact CZ3-CG 4.49Å; W27-A55 HydrophobicContact CH2-CB 4.17Å; W27-A55 HydrophobicContact CZ2-CB 3.54Å; W27-I56 HydrophobicContact CH2-CG2 3.3Å; W27-I56 HydrophobicContact CZ2-CG2 3.89Å; W27-I56 HydrophobicContact CZ3-CG2 3.78Å
28R91.6Very high89.4Confident65 Ų6565.9 Ų65.925%0.24536%0.359CS..Hα-helixtrans-53.6-48177.9176.3-175169.4-174.8-2.3110.9F24 I30 S31 E32 L78 E82F24-R28 HydrophobicContact CE1-CB 4.28Å; F24-R28 VanDerWaalsContact O-CB 3.25Å; F24-R28 WeakPolarHBondContact O-CB 3.3Å; F24-R28 PolarHBondContact O-N 3.14Å; R28-I30 PolarHBondContact O-N 3.44Å; R28-S31 PolarHBondContact O-N 3.3Å; R28-E32 HydrophobicContact CG-CG 4.38Å; R28-E32 IonicContact CZ-OE1 2.81Å; R28-E32 VanDerWaalsContact CZ-OE1 3.29Å; R28-E32 IonicContact NE-OE1 3.88Å; R28-E32 PolarHBondContact NE-OE1 3.37Å; R28-E32 IonicContact NE-OE2 3.97Å; R28-E32 IonicContact NH2-OE1 3.29Å; R28-E32 PolarHBondContact NH2-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CB 3.26Å; R28-E32 WeakPolarHBondContact O-CG 2.9Å; R28-E32 PolarHBondContact O-N 2.94Å; R28-L78 HydrophobicContact CG-CD2 4.17Å; R28-E82 IonicContact CZ-OE1 3.63Å; R28-E82 IonicContact NE-OE1 2.66Å; R28-E82 IonicContact NH1-OE1 2.6Å; R28-E82 PolarHBondContact NH1-OE1 3.44Å; R28-E82 IonicContact NH1-OE2 3.67Å
29R91.3Very high89.4Confident178 Ų17864.1 Ų64.167%0.67233%0.334SS*.Hα-helixtrans-62-42.3179.2-172.1178.8-177.3-176.30.9112.1R25 T26 W27 N33R25-R29 PolarHBondContact O-N 3.29Å; T26-R29 PolarHBondContact O-N 2.66Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 3.41Å; R29-N33 WeakPolarHBondContact O-CB 3.25Å; R29-N33 PolarHBondContact O-N 2.9Å; R29-N33 PolarHBondContact O-ND2 3.3Å
30I91.7Very high89.2Confident79 Ų7962.4 Ų62.441%0.40533%0.326SS..Hα-helixtrans-62.8-45176.5-64.8166.5000110.1P10 I22 T26 W27 R28 N33 Y34P10-I30 HydrophobicContact CB-CG2 4.01Å; P10-I30 HydrophobicContact CG-CG2 4.24Å; I22-I30 HydrophobicContact CD1-CD1 3.85Å; T26-I30 HydrophobicContact CG2-CD1 4.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.47Å; T26-I30 PolarHBondContact O-N 3.42Å; W27-I30 PolarHBondContact O-N 3.07Å; W27-I30 VanDerWaalsContact O-N 3.11Å; R28-I30 PolarHBondContact O-N 3.44Å; I30-N33 PolarHBondContact O-N 2.77Å; I30-Y34 PolarHBondContact O-N 3.44Å
31S90.3Very high89.1Confident5 Ų562.9 Ų62.94%0.03533%0.33CS..Hα-helixtrans-64.9-43.5178.9-65.40000113W27 R28 Y34 V35W27-S31 WeakPolarHBondContact CZ2-OG 3.35Å; W27-S31 WeakPolarHBondContact O-CB 3.39Å; W27-S31 PolarHBondContact O-N 3.13Å; W27-S31 PolarHBondContact O-OG 3.39Å; R28-S31 PolarHBondContact O-N 3.3Å; S31-Y34 PolarHBondContact O-N 3.4Å; S31-V35 WeakPolarHBondContact O-CG2 3.42Å; S31-V35 PolarHBondContact O-N 3.29Å
32E90.4Very high89Confident57 Ų5766.9 Ų66.927%0.26633%0.328SS..Hα-helixtrans-62.3-42.9175.3-75.8174.6164.100111.5R28 Y34 V35 Q36R28-E32 HydrophobicContact CG-CG 4.38Å; R28-E32 IonicContact CZ-OE1 2.81Å; R28-E32 VanDerWaalsContact CZ-OE1 3.29Å; R28-E32 IonicContact NE-OE1 3.88Å; R28-E32 PolarHBondContact NE-OE1 3.37Å; R28-E32 IonicContact NE-OE2 3.97Å; R28-E32 IonicContact NH2-OE1 3.29Å; R28-E32 PolarHBondContact NH2-OE1 3.43Å; R28-E32 WeakPolarHBondContact O-CB 3.26Å; R28-E32 WeakPolarHBondContact O-CG 2.9Å; R28-E32 PolarHBondContact O-N 2.94Å; E32-Y34 PolarHBondContact O-N 2.97Å; E32-V35 PolarHBondContact O-N 2.9Å; E32-Q36 VanDerWaalsContact O-CG 3.3Å; E32-Q36 WeakPolarHBondContact O-CG 3.38Å; E32-Q36 PolarHBondContact O-N 3.24Å
33N90.2Very high89Confident96 Ų9664.3 Ų64.351%0.51332%0.315SS..Hα-helixtrans-61.6-43.1174.9-73.9-14000111.8R29 I30 Q36 A37R29-N33 WeakPolarHBondContact O-CB 3.25Å; R29-N33 PolarHBondContact O-N 2.9Å; R29-N33 PolarHBondContact O-ND2 3.3Å; I30-N33 PolarHBondContact O-N 2.77Å; N33-Q36 PolarHBondContact O-N 3.12Å; N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 2.88Å
34Y90.5Very high89.1Confident26 Ų2664.4 Ų64.410%0.10232%0.316CS..Hα-helixtrans-60.7-46.3174.9168.4-101.1000111.4Q3 F7 S8 V9 P10 I30 S31 E32 Q36 A37 A38 F39Q3-Y34 PolarHBondContact NE2-OH 3.23Å; F7-Y34 HydrophobicContact CB-CD2 4.29Å; F7-Y34 HydrophobicContact CB-CE2 4.24Å; S8-Y34 WeakPolarHBondContact O-CD2 3.34Å; V9-Y34 HydrophobicContact CB-CE2 4.43Å; V9-Y34 HydrophobicContact CG2-CE2 4.13Å; P10-Y34 VanDerWaalsContact CD-CG 3.41Å; P10-Y34 HydrophobicContact CG-CD1 4.11Å; P10-Y34 HydrophobicContact CG-CG 3.88Å; I30-Y34 PolarHBondContact O-N 3.44Å; S31-Y34 PolarHBondContact O-N 3.4Å; E32-Y34 PolarHBondContact O-N 2.97Å; Y34-Q36 VanDerWaalsContact C-N 3.32Å; Y34-Q36 PolarHBondContact O-N 2.91Å; Y34-A37 PolarHBondContact O-N 3.11Å; Y34-A38 HydrophobicContact CD2-CB 3.98Å; Y34-A38 HydrophobicContact CE1-CB 4.42Å; Y34-A38 HydrophobicContact CE2-CB 3.67Å; Y34-A38 HydrophobicContact CG-CB 4.47Å; Y34-A38 WeakPolarHBondContact O-CB 3.08Å; Y34-A38 PolarHBondContact O-N 3.49Å; Y34-F39 AromaticContact CE1-CE2 3.99Å; Y34-F39 HydrophobicContact CE1-CE2 3.99Å
35V89Confident89Confident20 Ų2067.2 Ų67.212%0.12133%0.331CS..Hα-helixtrans-61.9-41.2179172.30000111.3S31 E32 F39 L43 V51S31-V35 WeakPolarHBondContact O-CG2 3.42Å; S31-V35 PolarHBondContact O-N 3.29Å; E32-V35 PolarHBondContact O-N 2.9Å; V35-F39 HydrophobicContact CG1-CD2 4.35Å; V35-F39 WeakPolarHBondContact O-CB 3.49Å; V35-F39 WeakPolarHBondContact O-CD2 3.28Å; V35-F39 PolarHBondContact O-N 3.25Å; V35-L43 HydrophobicContact CG1-CD1 4.07Å; V35-V51 HydrophobicContact CG2-CG1 3.84Å
36Q88.3Confident89Confident159 Ų15965.4 Ų65.474%0.74333%0.333SS*.Hα-helixtrans-65-42.5176.5-73.2-81.9-12.700112.4E32 N33 Y34E32-Q36 VanDerWaalsContact O-CG 3.3Å; E32-Q36 WeakPolarHBondContact O-CG 3.38Å; E32-Q36 PolarHBondContact O-N 3.24Å; N33-Q36 PolarHBondContact O-N 3.12Å; Y34-Q36 VanDerWaalsContact C-N 3.32Å; Y34-Q36 PolarHBondContact O-N 2.91Å
37A88.6Confident89.1Confident38 Ų3868.2 Ų68.231%0.31434%0.338SS..Hα-helixtrans-79.8-43.2-174.900000113F7 N33 Y34F7-A37 HydrophobicContact CD1-CB 3.87Å; F7-A37 HydrophobicContact CE1-CB 3.64Å; F7-A37 HydrophobicContact CE2-CB 4.3Å; F7-A37 WeakPolarHBondContact CE2-O 3.42Å; F7-A37 HydrophobicContact CG-CB 4.31Å; F7-A37 HydrophobicContact CZ-CB 3.87Å; N33-A37 VanDerWaalsContact O-CB 3.3Å; N33-A37 WeakPolarHBondContact O-CB 3.44Å; N33-A37 PolarHBondContact O-N 2.88Å; Y34-A37 PolarHBondContact O-N 3.11Å
38A89Confident88.9Confident0 Ų070 Ų700%035%0.346CS..Hα-helixtrans-79.3-19.5-172.900000113.5Q3 V4 F7 Y34Q3-A38 WeakPolarHBondContact CA-O 3.3Å; Q3-A38 HydrophobicContact CG-CB 4.15Å; V4-A38 PolarHBondContact N-O 2.81Å; F7-A38 HydrophobicContact CB-CB 4.15Å; F7-A38 HydrophobicContact CD2-CB 4.15Å; F7-A38 HydrophobicContact CG-CB 4.39Å; Y34-A38 HydrophobicContact CD2-CB 3.98Å; Y34-A38 HydrophobicContact CE1-CB 4.42Å; Y34-A38 HydrophobicContact CE2-CB 3.67Å; Y34-A38 HydrophobicContact CG-CB 4.47Å; Y34-A38 WeakPolarHBondContact O-CB 3.08Å; Y34-A38 PolarHBondContact O-N 3.49Å
39F88.2Confident88.9Confident22 Ų2267.5 Ų67.510%0.09634%0.338CS..  trans-122.895.7-177.7-57-82.3000111.4Q3 Y34 V35 S41 L43 V51Q3-F39 HydrophobicContact CB-CE1 4.4Å; Y34-F39 AromaticContact CE1-CE2 3.99Å; Y34-F39 HydrophobicContact CE1-CE2 3.99Å; V35-F39 HydrophobicContact CG1-CD2 4.35Å; V35-F39 WeakPolarHBondContact O-CB 3.49Å; V35-F39 WeakPolarHBondContact O-CD2 3.28Å; V35-F39 PolarHBondContact O-N 3.25Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 2.97Å; F39-L43 HydrophobicContact CB-CD1 4.06Å; F39-L43 HydrophobicContact CB-CD2 4.06Å; F39-L43 HydrophobicContact CB-CG 3.93Å; F39-L43 HydrophobicContact CD1-CD1 4.11Å; F39-L43 HydrophobicContact CD1-CD2 4.01Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CD2-CD1 3.82Å; F39-L43 HydrophobicContact CE2-CD1 4.28Å; F39-L43 HydrophobicContact CG-CD1 3.72Å; F39-L43 HydrophobicContact CG-CD2 4.12Å; F39-L43 HydrophobicContact CG-CG 4.09Å; F39-V51 HydrophobicContact CZ-CG2 4.42Å
40P80.3Confident88.8Confident102 Ų10261.8 Ų61.866%0.66233%0.329SS*.SBendtrans-62.4-32.8-175.7-24.634000113.7V4V4-P40 HydrophobicContact CG2-CG 3.4Å; V4-P40 VanDerWaalsContact CG2-CG 3.4Å
41S86.3Confident88.7Confident45 Ų4559.6 Ų59.632%0.31532%0.32SS..SBendtrans-86.3135.717556.60000110.3M1 F39 L43M1-S41 WeakPolarHBondContact CE-OG 3.34Å; M1-S41 WeakPolarHBondContact CG-OG 3.37Å; M1-S41 PolarHBondContact SD-OG 3.01Å; M1-S41 VanDerWaalsContact SD-OG 3.34Å; F39-S41 VanDerWaalsContact C-N 3.27Å; F39-S41 PolarHBondContact O-N 2.97Å; S41-L43 PolarHBondContact O-N 2.88Å
42K85.9Confident88.7Confident184 Ų18459.7 Ų59.780%0.832%0.319SS*.  trans-52.8111.6171.6-173.4178.3-178.9-178.30109.9
43L87.3Confident88.7Confident5 Ų557.8 Ų57.83%0.02631%0.311CS..  trans-67.9141.2176.6-64.9-176.8000110.3M1 V35 F39 S41 R47 K48M1-L43 HydrophobicContact SD-CD2 3.72Å; V35-L43 HydrophobicContact CG1-CD1 4.07Å; F39-L43 HydrophobicContact CB-CD1 4.06Å; F39-L43 HydrophobicContact CB-CD2 4.06Å; F39-L43 HydrophobicContact CB-CG 3.93Å; F39-L43 HydrophobicContact CD1-CD1 4.11Å; F39-L43 HydrophobicContact CD1-CD2 4.01Å; F39-L43 HydrophobicContact CD1-CG 4.45Å; F39-L43 HydrophobicContact CD2-CD1 3.82Å; F39-L43 HydrophobicContact CE2-CD1 4.28Å; F39-L43 HydrophobicContact CG-CD1 3.72Å; F39-L43 HydrophobicContact CG-CD2 4.12Å; F39-L43 HydrophobicContact CG-CG 4.09Å; S41-L43 PolarHBondContact O-N 2.88Å; L43-R47 HydrophobicContact CD1-CG 4.43Å; L43-R47 HydrophobicContact CD2-CG 4.42Å; L43-K48 HydrophobicContact CB-CG 3.69Å; L43-K48 HydrophobicContact CD1-CG 4.37Å; L43-K48 VanDerWaalsContact O-CE 3.22Å; L43-K48 WeakPolarHBondContact O-CE 3.13Å
44P90.5Very high88.7Confident64 Ų6458.7 Ų58.742%0.41632%0.316SS..  trans-64.7156.4167.331.5-35.5000110.3D46 R47 K48P44-D46 WeakPolarHBondContact CB-OD1 3.34Å; P44-D46 VanDerWaalsContact CG-OD1 3.24Å; P44-D46 WeakPolarHBondContact CG-OD1 3.43Å; P44-D46 PolarHBondContact O-N 3.37Å; P44-R47 HydrophobicContact CG-CB 3.96Å; P44-R47 PolarHBondContact O-N 3.32Å; P44-K48 PolarHBondContact O-N 3.42Å
45D89.7Confident88.8Confident68 Ų6858.2 Ų58.236%0.36432%0.317SS..Hα-helixtrans-61.8-41.2-169.9-95.931000112.8R47 K48 C49 Y74D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.07Å; D45-K48 WeakPolarHBondContact O-CB 3.36Å; D45-K48 PolarHBondContact O-N 2.76Å; D45-K48 VanDerWaalsContact O-N 3.15Å; D45-C49 PolarHBondContact O-N 3.06Å; D45-C49 PolarHBondContact O-SG 3.01Å; D45-Y74 WeakPolarHBondContact OD2-CB 3.41Å; D45-Y74 PolarHBondContact OD2-N 3.36Å; D45-Y74 VanDerWaalsContact OD2-N 3.1Å
46D89.4Confident88.9Confident112 Ų11257.2 Ų57.260%0.59931%0.311SS*.Hα-helixtrans-54.5-44.4174.764.5-32.8000112.1P44 C49 A50P44-D46 WeakPolarHBondContact CB-OD1 3.34Å; P44-D46 VanDerWaalsContact CG-OD1 3.24Å; P44-D46 WeakPolarHBondContact CG-OD1 3.43Å; P44-D46 PolarHBondContact O-N 3.37Å; D46-C49 WeakPolarHBondContact O-CB 3.41Å; D46-C49 PolarHBondContact O-N 3.31Å; D46-A50 PolarHBondContact O-N 3.42Å
47R89.7Confident89.1Confident105 Ų10551 Ų5140%0.39628%0.284SS..Hα-helixtrans-71.9-35.6178.7-169.9161.7180160.35.3112.2L43 P44 D45 C49 A50 V51L43-R47 HydrophobicContact CD1-CG 4.43Å; L43-R47 HydrophobicContact CD2-CG 4.42Å; P44-R47 HydrophobicContact CG-CB 3.96Å; P44-R47 PolarHBondContact O-N 3.32Å; D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.07Å; R47-C49 VanDerWaalsContact C-N 3.35Å; R47-A50 PolarHBondContact O-N 3.44Å; R47-V51 WeakPolarHBondContact O-CG2 3.19Å; R47-V51 PolarHBondContact O-N 3.33Å
48K89.8Confident89.2Confident40 Ų4054.1 Ų54.117%0.17430%0.299CS..Hα-helixtrans-63.9-42172.5-68.3178.7178.4165.80111.4L43 P44 D45 V51 L52 Y74L43-K48 HydrophobicContact CB-CG 3.69Å; L43-K48 HydrophobicContact CD1-CG 4.37Å; L43-K48 VanDerWaalsContact O-CE 3.22Å; L43-K48 WeakPolarHBondContact O-CE 3.13Å; P44-K48 PolarHBondContact O-N 3.42Å; D45-K48 WeakPolarHBondContact O-CB 3.36Å; D45-K48 PolarHBondContact O-N 2.76Å; D45-K48 VanDerWaalsContact O-N 3.15Å; K48-V51 PolarHBondContact O-N 3.11Å; K48-L52 WeakPolarHBondContact O-CB 3.26Å; K48-L52 PolarHBondContact O-N 3.37Å; K48-Y74 HydrophobicContact CB-CD2 3.39Å; K48-Y74 HydrophobicContact CB-CE2 3.72Å; K48-Y74 HydrophobicContact CB-CG 3.95Å; K48-Y74 HydrophobicContact CD-CD1 4.2Å; K48-Y74 HydrophobicContact CD-CD2 4.26Å; K48-Y74 HydrophobicContact CD-CE1 4.49Å; K48-Y74 HydrophobicContact CD-CG 4.07Å; K48-Y74 HydrophobicContact CG-CD2 4.48Å
49C89.9Confident89.4Confident12 Ų1256 Ų568%0.08131%0.308CS..Hα-helixtrans-58.6-48.8173.4-65.20000110.7D45 D46 R47 V51 L52 L53 Y74 T77D45-C49 PolarHBondContact O-N 3.06Å; D45-C49 PolarHBondContact O-SG 3.01Å; D46-C49 WeakPolarHBondContact O-CB 3.41Å; D46-C49 PolarHBondContact O-N 3.31Å; R47-C49 VanDerWaalsContact C-N 3.35Å; C49-V51 PolarHBondContact O-N 3.43Å; C49-L52 PolarHBondContact O-N 3.31Å; C49-L53 WeakPolarHBondContact O-CB 3.39Å; C49-L53 WeakPolarHBondContact O-CG 3.24Å; C49-L53 PolarHBondContact O-N 3.21Å; C49-Y74 WeakPolarHBondContact SG-CA 3.28Å; C49-T77 PolarHBondContact SG-OG1 3.45Å; C49-T77 VanDerWaalsContact SG-OG1 3.32Å
50A90.2Very high89.7Confident59 Ų5954.9 Ų54.949%0.48830%0.303SS..Hα-helixtrans-59.3-43.4179.100000112.6D46 R47 N54D46-A50 PolarHBondContact O-N 3.42Å; R47-A50 PolarHBondContact O-N 3.44Å; A50-N54 VanDerWaalsContact O-CB 3.24Å; A50-N54 WeakPolarHBondContact O-CB 3.46Å; A50-N54 PolarHBondContact O-N 3.39Å
51V89.5Confident90.3Very high33 Ų3352.6 Ų52.620%0.228%0.284CS..Hα-helixtrans-63.1-44.3176.5172.50000111.2V35 F39 R47 K48 C49 N54 A55V35-V51 HydrophobicContact CG2-CG1 3.84Å; F39-V51 HydrophobicContact CZ-CG2 4.42Å; R47-V51 WeakPolarHBondContact O-CG2 3.19Å; R47-V51 PolarHBondContact O-N 3.33Å; K48-V51 PolarHBondContact O-N 3.11Å; C49-V51 PolarHBondContact O-N 3.43Å; V51-N54 PolarHBondContact O-N 3.26Å; V51-A55 WeakPolarHBondContact O-CB 3.48Å; V51-A55 PolarHBondContact O-N 2.76Å; V51-A55 VanDerWaalsContact O-N 3.13Å
52L89.5Confident90.5Very high6 Ų654.6 Ų54.63%0.03129%0.29CS..Hα-helixtrans-65.5-47.2-179.9-173.370.8000112W27 K48 C49 N54 A55 I56 Y74 T77 L78 L81W27-L52 HydrophobicContact CH2-CD1 3.48Å; W27-L52 VanDerWaalsContact CH2-CD1 3.48Å; W27-L52 HydrophobicContact CH2-CG 4.24Å; W27-L52 HydrophobicContact CZ3-CD1 3.6Å; W27-L52 HydrophobicContact CZ3-CG 4.49Å; K48-L52 WeakPolarHBondContact O-CB 3.26Å; K48-L52 PolarHBondContact O-N 3.37Å; C49-L52 PolarHBondContact O-N 3.31Å; L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 3.23Å; L52-A55 PolarHBondContact O-N 2.73Å; L52-A55 VanDerWaalsContact O-N 3.11Å; L52-I56 PolarHBondContact O-N 3.22Å; L52-I56 VanDerWaalsContact O-N 3.16Å; L52-Y74 HydrophobicContact CB-CE2 4.42Å; L52-Y74 HydrophobicContact CD2-CE2 4Å; L52-T77 HydrophobicContact CD2-CG2 4.3Å; L52-L78 HydrophobicContact CD1-CD2 4.46Å; L52-L78 HydrophobicContact CD2-CD2 3.53Å; L52-L78 HydrophobicContact CD2-CG 3.96Å; L52-L81 HydrophobicContact CD2-CD1 3.42Å; L52-L81 VanDerWaalsContact CD2-CD1 3.42Å; L52-L81 HydrophobicContact CG-CD1 3.9Å
53L90.4Very high90.9Very high17 Ų1749 Ų499%0.08927%0.269CS..Hα-helixtrans-65.9-35.3178.6-68175.9000111.6C49 A55 I56 Q61 F64 T77 L81C49-L53 WeakPolarHBondContact O-CB 3.39Å; C49-L53 WeakPolarHBondContact O-CG 3.24Å; C49-L53 PolarHBondContact O-N 3.21Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 3.37Å; L53-I56 HydrophobicContact CD2-CD1 3.79Å; L53-I56 WeakPolarHBondContact O-CG1 3.24Å; L53-I56 PolarHBondContact O-N 3.42Å; L53-Q61 VanDerWaalsContact O-CG 3.23Å; L53-Q61 WeakPolarHBondContact O-CG 3.12Å; L53-Q61 PolarHBondContact O-NE2 3.48Å; L53-F64 HydrophobicContact CD1-CD1 4.37Å; L53-F64 HydrophobicContact CD1-CE1 3.87Å; L53-F64 HydrophobicContact CD1-CZ 4.42Å; L53-F64 HydrophobicContact CD2-CD1 3.57Å; L53-F64 HydrophobicContact CD2-CD2 4.16Å; L53-F64 HydrophobicContact CD2-CE1 3.63Å; L53-F64 HydrophobicContact CD2-CE2 4.19Å; L53-F64 HydrophobicContact CD2-CG 3.84Å; L53-F64 HydrophobicContact CD2-CZ 3.94Å; L53-F64 HydrophobicContact CG-CE1 4.42Å; L53-T77 HydrophobicContact CD2-CG2 4.17Å; L53-T77 HydrophobicContact CG-CG2 4.33Å; L53-L81 HydrophobicContact CD2-CD1 4.49Å; L53-L81 HydrophobicContact CD2-CD2 4.43Å
54N90.7Very high91.1Very high116 Ų11649.4 Ų49.462%0.6227%0.27SS*.Hα-helixtrans-61.3-40.2171.5-175.374000111.7A50 V51 L52 I56 V57A50-N54 VanDerWaalsContact O-CB 3.24Å; A50-N54 WeakPolarHBondContact O-CB 3.46Å; A50-N54 PolarHBondContact O-N 3.39Å; V51-N54 PolarHBondContact O-N 3.26Å; L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 3.23Å; N54-I56 PolarHBondContact O-N 2.99Å; N54-V57 WeakPolarHBondContact O-CG1 3.39Å; N54-V57 PolarHBondContact O-N 3.25Å
55A91.8Very high91.1Very high15 Ų1553.1 Ų53.112%0.12428%0.277CS..Hα-helixtrans-75.5-20.4-176.600000114.1F13 W27 V51 L52 L53 V57F13-A55 PolarHBondContact N-O 3.38Å; F13-A55 VanDerWaalsContact N-O 3.12Å; W27-A55 HydrophobicContact CH2-CB 4.17Å; W27-A55 HydrophobicContact CZ2-CB 3.54Å; V51-A55 WeakPolarHBondContact O-CB 3.48Å; V51-A55 PolarHBondContact O-N 2.76Å; V51-A55 VanDerWaalsContact O-N 3.13Å; L52-A55 PolarHBondContact O-N 2.73Å; L52-A55 VanDerWaalsContact O-N 3.11Å; L53-A55 VanDerWaalsContact C-N 3.29Å; L53-A55 PolarHBondContact O-N 3.37Å; A55-V57 PolarHBondContact O-N 2.98Å
56I92.1Very high91.1Very high0 Ų056.1 Ų56.10%029%0.293CS..THydrogen-bonded Turntrans-77.7-8.7170.968178.1000113.8F13 W27 L52 L53 N54 G60 Q61 F64 L81F13-I56 HydrophobicContact CB-CB 4.27Å; F13-I56 HydrophobicContact CB-CG2 4.22Å; F13-I56 HydrophobicContact CD1-CB 4.36Å; F13-I56 HydrophobicContact CD1-CG2 4.17Å; F13-I56 HydrophobicContact CG-CG2 4.49Å; W27-I56 HydrophobicContact CH2-CG2 3.3Å; W27-I56 HydrophobicContact CZ2-CG2 3.89Å; W27-I56 HydrophobicContact CZ3-CG2 3.78Å; L52-I56 PolarHBondContact O-N 3.22Å; L52-I56 VanDerWaalsContact O-N 3.16Å; L53-I56 HydrophobicContact CD2-CD1 3.79Å; L53-I56 WeakPolarHBondContact O-CG1 3.24Å; L53-I56 PolarHBondContact O-N 3.42Å; N54-I56 PolarHBondContact O-N 2.99Å; I56-G60 VanDerWaalsContact CD1-C 3.45Å; I56-G60 WeakPolarHBondContact CD1-O 3.11Å; I56-Q61 HydrophobicContact CD1-CG 4.18Å; I56-Q61 HydrophobicContact CG1-CG 3.88Å; I56-F64 HydrophobicContact CD1-CB 4.22Å; I56-L81 HydrophobicContact CD1-CD2 3.54Å; I56-L81 HydrophobicContact CG2-CD2 4.48Å
57V91.7Very high90.9Very high29 Ų2952.2 Ų52.218%0.17628%0.275CS..Hα-helixtrans51.4-165.9176.2-61.80000114.2P12 L14 E15 N54 A55 G60 Q61P12-V57 HydrophobicContact CB-CB 4.44Å; P12-V57 HydrophobicContact CB-CG1 3.79Å; P12-V57 HydrophobicContact CB-CG2 3.78Å; P12-V57 HydrophobicContact CG-CG1 4.33Å; L14-V57 WeakPolarHBondContact O-CG2 3.31Å; E15-V57 HydrophobicContact CB-CG2 3.77Å; E15-V57 HydrophobicContact CG-CG2 4.35Å; N54-V57 WeakPolarHBondContact O-CG1 3.39Å; N54-V57 PolarHBondContact O-N 3.25Å; A55-V57 PolarHBondContact O-N 2.98Å; V57-G60 PolarHBondContact O-N 2.8Å; V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 VanDerWaalsContact O-CG 3.31Å; V57-Q61 WeakPolarHBondContact O-CG 3.37Å; V57-Q61 PolarHBondContact O-N 3.3Å
58T91.7Very high90.2Very high102 Ų10254.6 Ų54.663%0.62629%0.294SS*.Hα-helixtrans-57.3-56.6-161.7-49.70000114.4Q61 L62T58-Q61 PolarHBondContact O-N 3.46Å; T58-L62 WeakPolarHBondContact O-CB 3.33Å; T58-L62 PolarHBondContact O-N 3.45Å
59E93.8Very high89.2Confident39 Ų3958 Ų5818%0.18232%0.32CS..Hα-helixtrans-68.8-39.7-176.8-179.670.4-176.200111.1L14 P17 Q61 L62 L63L14-E59 HydrophobicContact CD2-CB 4.43Å; L14-E59 HydrophobicContact CD2-CG 3.89Å; L14-E59 HydrophobicContact CG-CB 4.08Å; L14-E59 HydrophobicContact CG-CG 3.93Å; L14-E59 WeakPolarHBondContact O-CB 3.43Å; L14-E59 PolarHBondContact O-N 2.85Å; P17-E59 HydrophobicContact CG-CG 4.44Å; E59-Q61 PolarHBondContact O-N 2.66Å; E59-L62 PolarHBondContact O-N 3.38Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 2.89Å
60G92.8Very high88.5Confident0 Ų059.2 Ų59.20%033%0.327CS..Hα-helixtrans-60.9-44.117500000113.1L14 I56 V57 L63 F64L14-G60 PolarHBondContact O-N 3.47Å; L14-G60 VanDerWaalsContact O-N 3.13Å; I56-G60 VanDerWaalsContact CD1-C 3.45Å; I56-G60 WeakPolarHBondContact CD1-O 3.11Å; V57-G60 PolarHBondContact O-N 2.8Å; G60-L63 PolarHBondContact O-N 2.91Å; G60-F64 WeakPolarHBondContact O-CB 3.46Å; G60-F64 PolarHBondContact O-N 3.2Å
61Q92.8Very high88Confident54 Ų5463 Ų6325%0.25234%0.335SS..Hα-helixtrans-65-41.6175.3-77.3-176.139.700111.8L53 I56 V57 T58 E59 L63 F64 Y65L53-Q61 VanDerWaalsContact O-CG 3.23Å; L53-Q61 WeakPolarHBondContact O-CG 3.12Å; L53-Q61 PolarHBondContact O-NE2 3.48Å; I56-Q61 HydrophobicContact CD1-CG 4.18Å; I56-Q61 HydrophobicContact CG1-CG 3.88Å; V57-Q61 WeakPolarHBondContact O-CB 3.37Å; V57-Q61 VanDerWaalsContact O-CG 3.31Å; V57-Q61 WeakPolarHBondContact O-CG 3.37Å; V57-Q61 PolarHBondContact O-N 3.3Å; T58-Q61 PolarHBondContact O-N 3.46Å; E59-Q61 PolarHBondContact O-N 2.66Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.42Å; Q61-F64 PolarHBondContact O-N 3Å; Q61-Y65 HydrophobicContact CB-CD2 4.04Å; Q61-Y65 HydrophobicContact CB-CE2 3.84Å; Q61-Y65 HydrophobicContact CG-CE2 4.12Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.29Å; Q61-Y65 PolarHBondContact O-N 2.86Å
62L92.4Very high87.5Confident86 Ų8667.1 Ų67.145%0.4536%0.363SS..Hα-helixtrans-57.5-46.1176.7-177.4150.5000111.1T58 E59 N66T58-L62 WeakPolarHBondContact O-CB 3.33Å; T58-L62 PolarHBondContact O-N 3.45Å; E59-L62 PolarHBondContact O-N 3.38Å; L62-N66 WeakPolarHBondContact O-CB 3.43Å; L62-N66 PolarHBondContact O-N 3.16Å; L62-N66 PolarHBondContact O-ND2 3.12Å
63L92.3Very high87.5Confident68 Ų6869.1 Ų69.136%0.35638%0.375SS..Hα-helixtrans-65.4-39.8176.5-68.6172.4000112.3L14 E59 G60 Q61 S67 F85L14-L63 HydrophobicContact CD2-CD1 3.9Å; E59-L63 WeakPolarHBondContact O-CG 3.49Å; E59-L63 PolarHBondContact O-N 2.89Å; G60-L63 PolarHBondContact O-N 2.91Å; Q61-L63 VanDerWaalsContact C-N 3.32Å; Q61-L63 PolarHBondContact O-N 3.42Å; L63-S67 PolarHBondContact O-N 2.79Å; L63-F85 HydrophobicContact CD1-CE1 3.85Å
64F92Very high87.5Confident12 Ų1270 Ų705%0.05338%0.378CS..Hα-helixtrans-65-49.9178.4179.2-97000112.5L53 I56 G60 Q61 N66 S67 P70 T77 A80 L81 L84L53-F64 HydrophobicContact CD1-CD1 4.37Å; L53-F64 HydrophobicContact CD1-CE1 3.87Å; L53-F64 HydrophobicContact CD1-CZ 4.42Å; L53-F64 HydrophobicContact CD2-CD1 3.57Å; L53-F64 HydrophobicContact CD2-CD2 4.16Å; L53-F64 HydrophobicContact CD2-CE1 3.63Å; L53-F64 HydrophobicContact CD2-CE2 4.19Å; L53-F64 HydrophobicContact CD2-CG 3.84Å; L53-F64 HydrophobicContact CD2-CZ 3.94Å; L53-F64 HydrophobicContact CG-CE1 4.42Å; I56-F64 HydrophobicContact CD1-CB 4.22Å; G60-F64 WeakPolarHBondContact O-CB 3.46Å; G60-F64 PolarHBondContact O-N 3.2Å; Q61-F64 PolarHBondContact O-N 3Å; F64-N66 VanDerWaalsContact C-N 3.3Å; F64-N66 PolarHBondContact O-N 3.3Å; F64-S67 WeakPolarHBondContact O-CB 3.4Å; F64-S67 PolarHBondContact O-N 3.18Å; F64-S67 PolarHBondContact O-OG 3.48Å; F64-P70 HydrophobicContact CE2-CG 3.89Å; F64-P70 HydrophobicContact CZ-CG 3.51Å; F64-T77 HydrophobicContact CE2-CG2 4.03Å; F64-T77 HydrophobicContact CZ-CG2 3.89Å; F64-A80 HydrophobicContact CE2-CB 3.98Å; F64-L81 HydrophobicContact CB-CD2 4.22Å; F64-L81 HydrophobicContact CD2-CD2 3.48Å; F64-L81 VanDerWaalsContact CD2-CD2 3.48Å; F64-L81 HydrophobicContact CD2-CG 3.92Å; F64-L81 HydrophobicContact CE2-CD2 4.15Å; F64-L81 HydrophobicContact CE2-CG 4.12Å; F64-L81 HydrophobicContact CG-CD2 4.11Å; F64-L84 HydrophobicContact CB-CD1 4.3Å; F64-L84 HydrophobicContact CD2-CD1 4.14Å
65Y90.7Very high87.5Confident143 Ų14372.2 Ų72.256%0.56138%0.382SS*.Hα-helixtrans-72.6-21.7-177.1-67.1-56.8000113.9Q61 S67Q61-Y65 HydrophobicContact CB-CD2 4.04Å; Q61-Y65 HydrophobicContact CB-CE2 3.84Å; Q61-Y65 HydrophobicContact CG-CE2 4.12Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.29Å; Q61-Y65 PolarHBondContact O-N 2.86Å; Y65-S67 VanDerWaalsContact C-N 3.26Å
66N89.6Confident87.5Confident130 Ų13072.4 Ų72.470%0.69538%0.384SS*.THydrogen-bonded Turntrans-82.7-1.3170.9-72.5-44.1000113.3L62 F64L62-N66 WeakPolarHBondContact O-CB 3.43Å; L62-N66 PolarHBondContact O-N 3.16Å; L62-N66 PolarHBondContact O-ND2 3.12Å; F64-N66 VanDerWaalsContact C-N 3.3Å; F64-N66 PolarHBondContact O-N 3.3Å
67S85.6Confident87.4Confident31 Ų3172.7 Ų72.722%0.21739%0.385CS..SBendtrans-95.9172174.2800000111.9L63 F64 Y65L63-S67 PolarHBondContact O-N 2.79Å; F64-S67 WeakPolarHBondContact O-CB 3.4Å; F64-S67 PolarHBondContact O-N 3.18Å; F64-S67 PolarHBondContact O-OG 3.48Å; Y65-S67 VanDerWaalsContact C-N 3.26Å
68I75.5Confident87.4Confident154 Ų15471.8 Ų71.879%0.7938%0.379SS*.PPolyproline II helixtrans-60.6125.2178.8-61.1172.6000108.7P70I68-P70 WeakPolarHBondContact O-CD 3.4Å; I68-P70 VanDerWaalsContact O-N 3.16Å
69P69.2Low87.3Confident113 Ų11369.6 Ų69.673%0.73437%0.366SS*.PPolyproline II helixtrans-57.9121.1-178.1-21.830.6000110.3
70P73.4Confident87.2Confident36 Ų3668.3 Ų68.323%0.23436%0.362CS..PPolyproline II helixtrans-68.5159.5170.927.6-30.8000109.6F64 I68 A76 A80F64-P70 HydrophobicContact CE2-CG 3.89Å; F64-P70 HydrophobicContact CZ-CG 3.51Å; I68-P70 WeakPolarHBondContact O-CD 3.4Å; I68-P70 VanDerWaalsContact O-N 3.16Å; P70-A76 HydrophobicContact CB-CB 3.85Å; P70-A80 HydrophobicContact CB-CB 4.18Å; P70-A80 HydrophobicContact CG-CB 4.13Å
71E79.5Confident87.2Confident138 Ų13868.3 Ų68.365%0.64536%0.362SS*.PPolyproline II helixtrans-49.8147.1162.9-66.8-178.4173.200109.8T73 A76E71-T73 HydrophobicContact CB-CG2 4.46Å; E71-T73 PolarHBondContact O-N 3.22Å; E71-A76 HydrophobicContact CB-CB 3.97Å; E71-A76 WeakPolarHBondContact O-CB 3.24Å
72P79.3Confident87.1Confident121 Ų12168.7 Ų68.779%0.78636%0.364SS*.SBendtrans-7648-175.433.3-37.3000112.2
73T90.3Very high86.9Confident48 Ų4871.1 Ų71.129%0.29437%0.373SS..SBendtrans-116.1153.3176.670.70000110.1E71 K75 A76 T77E71-T73 HydrophobicContact CB-CG2 4.46Å; E71-T73 PolarHBondContact O-N 3.22Å; T73-K75 VanDerWaalsContact C-N 3.28Å; T73-K75 PolarHBondContact O-N 2.98Å; T73-A76 PolarHBondContact O-N 3.41Å; T73-A76 VanDerWaalsContact OG1-CB 3.24Å; T73-A76 WeakPolarHBondContact OG1-CB 3.3Å; T73-A76 PolarHBondContact OG1-N 2.91Å; T73-A76 VanDerWaalsContact OG1-N 3.15Å; T73-T77 WeakPolarHBondContact O-CB 3.45Å; T73-T77 PolarHBondContact O-N 3.45Å; T73-T77 PolarHBondContact O-OG1 3.4Å
74Y90Very high86.8Confident34 Ų3471 Ų7113%0.13337%0.373CS..Hα-helixtrans-63-39.1179-178-113.4000111.7D45 K48 C49 L52 T77 L78D45-Y74 WeakPolarHBondContact OD2-CB 3.41Å; D45-Y74 PolarHBondContact OD2-N 3.36Å; D45-Y74 VanDerWaalsContact OD2-N 3.1Å; K48-Y74 HydrophobicContact CB-CD2 3.39Å; K48-Y74 HydrophobicContact CB-CE2 3.72Å; K48-Y74 HydrophobicContact CB-CG 3.95Å; K48-Y74 HydrophobicContact CD-CD1 4.2Å; K48-Y74 HydrophobicContact CD-CD2 4.26Å; K48-Y74 HydrophobicContact CD-CE1 4.49Å; K48-Y74 HydrophobicContact CD-CG 4.07Å; K48-Y74 HydrophobicContact CG-CD2 4.48Å; C49-Y74 WeakPolarHBondContact SG-CA 3.28Å; L52-Y74 HydrophobicContact CB-CE2 4.42Å; L52-Y74 HydrophobicContact CD2-CE2 4Å; Y74-T77 PolarHBondContact O-N 3.45Å; Y74-L78 HydrophobicContact CD1-CD1 3.81Å; Y74-L78 HydrophobicContact CE1-CD1 3.28Å; Y74-L78 HydrophobicContact CE1-CG 4.19Å; Y74-L78 HydrophobicContact CE2-CD1 4.2Å; Y74-L78 HydrophobicContact CE2-CG 4.25Å; Y74-L78 HydrophobicContact CG-CD1 4.46Å; Y74-L78 WeakPolarHBondContact O-CB 3.49Å; Y74-L78 PolarHBondContact O-N 2.96Å
75K90.5Very high86.7Confident163 Ų16371.9 Ų71.971%0.70938%0.376SS*.Hα-helixtrans-63.3-47.4177.9-173.2-179178.4-175.80111.8T73 L78 T79T73-K75 VanDerWaalsContact C-N 3.28Å; T73-K75 PolarHBondContact O-N 2.98Å; K75-L78 PolarHBondContact O-N 2.84Å; K75-T79 PolarHBondContact O-N 3.49Å; K75-T79 PolarHBondContact O-OG1 2.79Å
76A91.4Very high86.3Confident20 Ų2068.2 Ų68.217%0.16537%0.369CS..Hα-helixtrans-66.7-39.1-179.600000111.7P70 E71 T73 T79 A80P70-A76 HydrophobicContact CB-CB 3.85Å; E71-A76 HydrophobicContact CB-CB 3.97Å; E71-A76 WeakPolarHBondContact O-CB 3.24Å; T73-A76 PolarHBondContact O-N 3.41Å; T73-A76 VanDerWaalsContact OG1-CB 3.24Å; T73-A76 WeakPolarHBondContact OG1-CB 3.3Å; T73-A76 PolarHBondContact OG1-N 2.91Å; T73-A76 VanDerWaalsContact OG1-N 3.15Å; A76-T79 PolarHBondContact O-N 3.41Å; A76-A80 WeakPolarHBondContact O-CB 3.08Å; A76-A80 PolarHBondContact O-N 2.65Å
77T91.7Very high85.8Confident6 Ų665.9 Ų65.94%0.03736%0.361CS..Hα-helixtrans-59.8-47.8173.9-57.70000111.4C49 L52 L53 F64 T73 Y74 A80 L81C49-T77 PolarHBondContact SG-OG1 3.45Å; C49-T77 VanDerWaalsContact SG-OG1 3.32Å; L52-T77 HydrophobicContact CD2-CG2 4.3Å; L53-T77 HydrophobicContact CD2-CG2 4.17Å; L53-T77 HydrophobicContact CG-CG2 4.33Å; F64-T77 HydrophobicContact CE2-CG2 4.03Å; F64-T77 HydrophobicContact CZ-CG2 3.89Å; T73-T77 WeakPolarHBondContact O-CB 3.45Å; T73-T77 PolarHBondContact O-N 3.45Å; T73-T77 PolarHBondContact O-OG1 3.4Å; Y74-T77 PolarHBondContact O-N 3.45Å; T77-A80 PolarHBondContact O-N 3.19Å; T77-L81 HydrophobicContact CG2-CD1 4.02Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.37Å; T77-L81 PolarHBondContact O-N 2.77Å
78L90.7Very high85.6Confident9 Ų974.1 Ų74.15%0.04739%0.393CS..Hα-helixtrans-60.8-46.6176.8-83.6173.1000112.4R28 L52 Y74 K75 A80 L81 E82R28-L78 HydrophobicContact CG-CD2 4.17Å; L52-L78 HydrophobicContact CD1-CD2 4.46Å; L52-L78 HydrophobicContact CD2-CD2 3.53Å; L52-L78 HydrophobicContact CD2-CG 3.96Å; Y74-L78 HydrophobicContact CD1-CD1 3.81Å; Y74-L78 HydrophobicContact CE1-CD1 3.28Å; Y74-L78 HydrophobicContact CE1-CG 4.19Å; Y74-L78 HydrophobicContact CE2-CD1 4.2Å; Y74-L78 HydrophobicContact CE2-CG 4.25Å; Y74-L78 HydrophobicContact CG-CD1 4.46Å; Y74-L78 WeakPolarHBondContact O-CB 3.49Å; Y74-L78 PolarHBondContact O-N 2.96Å; K75-L78 PolarHBondContact O-N 2.84Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.08Å; L78-L81 PolarHBondContact O-N 3.44Å; L78-E82 WeakPolarHBondContact O-CG 3.38Å; L78-E82 PolarHBondContact O-N 2.82Å
79T90.4Very high86Confident56 Ų5670 Ų7034%0.34438%0.375SS..Hα-helixtrans-58.9-43.2178-59.20000111.6K75 A76 E82 Q83K75-T79 PolarHBondContact O-N 3.49Å; K75-T79 PolarHBondContact O-OG1 2.79Å; A76-T79 PolarHBondContact O-N 3.41Å; T79-E82 PolarHBondContact O-N 3.27Å; T79-Q83 WeakPolarHBondContact O-CG 3.48Å; T79-Q83 PolarHBondContact O-N 2.9Å
80A91.9Very high87Confident13 Ų1369 Ų6911%0.10737%0.367CS..Hα-helixtrans-63.5-43.7177.600000111.7F64 P70 A76 T77 L78 Q83 L84F64-A80 HydrophobicContact CE2-CB 3.98Å; P70-A80 HydrophobicContact CB-CB 4.18Å; P70-A80 HydrophobicContact CG-CB 4.13Å; A76-A80 WeakPolarHBondContact O-CB 3.08Å; A76-A80 PolarHBondContact O-N 2.65Å; T77-A80 PolarHBondContact O-N 3.19Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.08Å; A80-Q83 PolarHBondContact O-N 3.35Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 VanDerWaalsContact O-CG 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.24Å; A80-L84 PolarHBondContact O-N 2.89Å
81L92.1Very high87.9Confident0 Ų070.6 Ų70.60%038%0.376CS..Hα-helixtrans-64.3-40.4175.9-65.7166.9000112.1F24 L52 L53 I56 F64 T77 L78 Q83 L84 F85F24-L81 HydrophobicContact CE1-CB 4.24Å; F24-L81 HydrophobicContact CE2-CB 3.87Å; F24-L81 HydrophobicContact CZ-CB 3.43Å; F24-L81 VanDerWaalsContact CZ-CB 3.43Å; F24-L81 HydrophobicContact CZ-CD1 4.44Å; L52-L81 HydrophobicContact CD2-CD1 3.42Å; L52-L81 VanDerWaalsContact CD2-CD1 3.42Å; L52-L81 HydrophobicContact CG-CD1 3.9Å; L53-L81 HydrophobicContact CD2-CD1 4.49Å; L53-L81 HydrophobicContact CD2-CD2 4.43Å; I56-L81 HydrophobicContact CD1-CD2 3.54Å; I56-L81 HydrophobicContact CG2-CD2 4.48Å; F64-L81 HydrophobicContact CB-CD2 4.22Å; F64-L81 HydrophobicContact CD2-CD2 3.48Å; F64-L81 VanDerWaalsContact CD2-CD2 3.48Å; F64-L81 HydrophobicContact CD2-CG 3.92Å; F64-L81 HydrophobicContact CE2-CD2 4.15Å; F64-L81 HydrophobicContact CE2-CG 4.12Å; F64-L81 HydrophobicContact CG-CD2 4.11Å; T77-L81 HydrophobicContact CG2-CD1 4.02Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.37Å; T77-L81 PolarHBondContact O-N 2.77Å; L78-L81 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-Q83 PolarHBondContact O-N 3.12Å; L81-L84 PolarHBondContact O-N 2.73Å; L81-F85 HydrophobicContact CB-CD2 4.28Å; L81-F85 HydrophobicContact CB-CE2 4.46Å; L81-F85 HydrophobicContact CD2-CD2 4.31Å; L81-F85 HydrophobicContact CD2-CE2 3.66Å; L81-F85 WeakPolarHBondContact O-CB 3.42Å; L81-F85 WeakPolarHBondContact O-CD2 3.13Å; L81-F85 PolarHBondContact O-N 3.4Å
82E90.2Very high88.6Confident62 Ų6268.7 Ų68.729%0.2938%0.377SS..Hα-helixtrans-60.5-44174.1-76.1-172.9151.500111.9F24 R28 L78 T79 L84 T86F24-E82 HydrophobicContact CD1-CG 3.94Å; F24-E82 HydrophobicContact CE1-CB 4.29Å; F24-E82 HydrophobicContact CE1-CG 3.45Å; F24-E82 VanDerWaalsContact CE1-CG 3.45Å; R28-E82 IonicContact CZ-OE1 3.63Å; R28-E82 IonicContact NE-OE1 2.66Å; R28-E82 IonicContact NH1-OE1 2.6Å; R28-E82 PolarHBondContact NH1-OE1 3.44Å; R28-E82 IonicContact NH1-OE2 3.67Å; L78-E82 WeakPolarHBondContact O-CG 3.38Å; L78-E82 PolarHBondContact O-N 2.82Å; T79-E82 PolarHBondContact O-N 3.27Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 2.96Å; E82-T86 WeakPolarHBondContact O-CB 3.46Å; E82-T86 PolarHBondContact O-N 3.26Å; E82-T86 PolarHBondContact O-OG1 3.02Å
83Q88.6Confident89.4Confident137 Ų13765 Ų6564%0.6436%0.356SS*.Hα-helixtrans-65.9-33.4177.4-72.9176.2-2.600113T79 A80 L81T79-Q83 WeakPolarHBondContact O-CG 3.48Å; T79-Q83 PolarHBondContact O-N 2.9Å; A80-Q83 PolarHBondContact O-N 3.35Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-Q83 PolarHBondContact O-N 3.12Å
84L90.2Very high89.6Confident66 Ų6663.1 Ų63.135%0.34634%0.344SS..Hα-helixtrans-73.3-42.6178.2-75.6166.8000112.3F64 A80 L81 E82F64-L84 HydrophobicContact CB-CD1 4.3Å; F64-L84 HydrophobicContact CD2-CD1 4.14Å; A80-L84 WeakPolarHBondContact O-CB 3.35Å; A80-L84 VanDerWaalsContact O-CG 3.29Å; A80-L84 WeakPolarHBondContact O-CG 3.24Å; A80-L84 PolarHBondContact O-N 2.89Å; L81-L84 PolarHBondContact O-N 2.73Å; E82-L84 VanDerWaalsContact C-N 3.31Å; E82-L84 PolarHBondContact O-N 2.96Å
85F89.9Confident90Very high29 Ų2964.8 Ų64.813%0.12735%0.353CS..Hα-helixtrans-106.8-7.6-168.5-60.1-57000115.2F13 L14 F24 L63 L81 P87F13-F85 HydrophobicContact CD1-CD2 4.32Å; F13-F85 HydrophobicContact CD1-CE2 4.21Å; F13-F85 HydrophobicContact CD1-CZ 4.36Å; F13-F85 HydrophobicContact CE1-CB 4.05Å; F13-F85 AromaticContact CE1-CD1 3.65Å; F13-F85 HydrophobicContact CE1-CD1 3.65Å; F13-F85 AromaticContact CE1-CD2 3.58Å; F13-F85 HydrophobicContact CE1-CD2 3.58Å; F13-F85 AromaticContact CE1-CE1 3.91Å; F13-F85 HydrophobicContact CE1-CE1 3.91Å; F13-F85 AromaticContact CE1-CE2 3.84Å; F13-F85 HydrophobicContact CE1-CE2 3.84Å; F13-F85 AromaticContact CE1-CG 3.48Å; F13-F85 HydrophobicContact CE1-CG 3.48Å; F13-F85 VanDerWaalsContact CE1-CG 3.48Å; F13-F85 HydrophobicContact CE1-CZ 4.01Å; F13-F85 HydrophobicContact CZ-CB 4.04Å; F13-F85 HydrophobicContact CZ-CD1 4.32Å; F13-F85 HydrophobicContact CZ-CD2 4.34Å; F13-F85 AromaticContact CZ-CG 4Å; F13-F85 HydrophobicContact CZ-CG 4Å; L14-F85 HydrophobicContact CD2-CE1 3.81Å; F24-F85 HydrophobicContact CB-CB 3.69Å; F24-F85 HydrophobicContact CD2-CB 3.79Å; F24-F85 AromaticContact CD2-CD2 3.59Å; F24-F85 HydrophobicContact CD2-CD2 3.59Å; F24-F85 HydrophobicContact CD2-CG 4.04Å; F24-F85 AromaticContact CE2-CD2 3.71Å; F24-F85 HydrophobicContact CE2-CD2 3.71Å; F24-F85 HydrophobicContact CE2-CE2 4.41Å; F24-F85 HydrophobicContact CG-CB 3.73Å; F24-F85 HydrophobicContact CG-CD2 4.33Å; F24-F85 HydrophobicContact CG-CG 4.47Å; L63-F85 HydrophobicContact CD1-CE1 3.85Å; L81-F85 HydrophobicContact CB-CD2 4.28Å; L81-F85 HydrophobicContact CB-CE2 4.46Å; L81-F85 HydrophobicContact CD2-CD2 4.31Å; L81-F85 HydrophobicContact CD2-CE2 3.66Å; L81-F85 WeakPolarHBondContact O-CB 3.42Å; L81-F85 WeakPolarHBondContact O-CD2 3.13Å; L81-F85 PolarHBondContact O-N 3.4Å; F85-P87 WeakPolarHBondContact O-CD 3.44Å
86T82.8Confident90.3Very high66 Ų6662.6 Ų62.641%0.40535%0.345SS..SBendtrans-76.3125.2168.3-56.30000108.6E82 K88E82-T86 WeakPolarHBondContact O-CB 3.46Å; E82-T86 PolarHBondContact O-N 3.26Å; E82-T86 PolarHBondContact O-OG1 3.02Å; T86-K88 PolarHBondContact O-N 2.76Å
87P79Confident90.5Very high81 Ų8169.5 Ų69.553%0.52637%0.367SS..  trans-52.4131.9175.8-26.534.9000111.3F85 T89F85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-T89 HydrophobicContact CB-CG2 3.94Å; P87-T89 PolarHBondContact O-N 3.27Å
88K80.4Confident90.8Very high204 Ų20469.2 Ų69.289%0.88737%0.365SS*.  trans-78.653.5174.9-62.8-179.1-177.3176.50110.7T86T86-K88 PolarHBondContact O-N 2.76Å
89T83.7Confident91.1Very high68 Ų6873.6 Ų73.642%0.41738%0.381SS..  trans-92.8151.4179.750.10000110.4P87 E94P87-T89 HydrophobicContact CB-CG2 3.94Å; P87-T89 PolarHBondContact O-N 3.27Å; T89-E94 WeakPolarHBondContact CB-OE1 3.21Å; T89-E94 VanDerWaalsContact OG1-CD 3.24Å; T89-E94 WeakPolarHBondContact OG1-CG 3.45Å; T89-E94 PolarHBondContact OG1-OE1 2.83Å
90T91Very high91.5Very high93 Ų9377.5 Ų77.557%0.57139%0.393SS*.  trans-76.4151.317363.30000109.5C92 A93 E94T90-C92 PolarHBondContact O-N 3.09Å; T90-A93 WeakPolarHBondContact O-CA 3.27Å; T90-A93 WeakPolarHBondContact O-CB 3.34Å; T90-A93 PolarHBondContact O-N 2.78Å; T90-A93 WeakPolarHBondContact OG1-CB 3.45Å; T90-A93 PolarHBondContact OG1-N 2.87Å; T90-E94 PolarHBondContact O-N 3.44Å; T90-E94 VanDerWaalsContact O-N 3.07Å
91V93.2Very high91.8Very high69 Ų6978.8 Ų78.842%0.41840%0.395SS..Hα-helixtrans-53.1-38.9174.3175.50000111.1A93 E94 H95 C123 A124V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 3Å; V91-E94 PolarHBondContact O-N 3.33Å; V91-H95 WeakPolarHBondContact CG1-NE2 3.34Å; V91-H95 PolarHBondContact O-CD2 2.81Å; V91-H95 VanDerWaalsContact O-CD2 3.23Å; V91-H95 PolarHBondContact O-N 3.26Å; V91-C123 WeakPolarHBondContact CG1-O 3.28Å; V91-A124 HydrophobicContact CG1-CB 4.41Å; V91-A124 HydrophobicContact CG2-CB 4.28Å
92C94.4Very high92.1Very high98 Ų9883.9 Ų83.966%0.66242%0.415SS*.Hα-helixtrans-61.9-38.2175.7-59.70000113.2T90 H96T90-C92 PolarHBondContact O-N 3.09Å; C92-H96 WeakPolarHBondContact O-CB 3.32Å; C92-H96 PolarHBondContact O-N 3.2Å
93A95.4Very high92.4Very high43 Ų4381.9 Ų81.936%0.35541%0.406SS..Hα-helixtrans-68.3-39.5176.200000111.4T90 V91 H96 R97T90-A93 WeakPolarHBondContact O-CA 3.27Å; T90-A93 WeakPolarHBondContact O-CB 3.34Å; T90-A93 PolarHBondContact O-N 2.78Å; T90-A93 WeakPolarHBondContact OG1-CB 3.45Å; T90-A93 PolarHBondContact OG1-N 2.87Å; V91-A93 VanDerWaalsContact C-N 3.34Å; V91-A93 PolarHBondContact O-N 3Å; A93-H96 WeakPolarHBondContact O-CB 3.38Å; A93-H96 PolarHBondContact O-N 2.81Å; A93-R97 WeakPolarHBondContact O-CB 3.46Å; A93-R97 PolarHBondContact O-N 2.8Å
94E94.8Very high92.9Very high8 Ų880.1 Ų80.14%0.03740%0.4CS..Hα-helixtrans-66.4-41.3175.3-65.5-59.7123.100111.6T89 T90 V91 H96 R97 F98 N122T89-E94 WeakPolarHBondContact CB-OE1 3.21Å; T89-E94 VanDerWaalsContact OG1-CD 3.24Å; T89-E94 WeakPolarHBondContact OG1-CG 3.45Å; T89-E94 PolarHBondContact OG1-OE1 2.83Å; T90-E94 PolarHBondContact O-N 3.44Å; T90-E94 VanDerWaalsContact O-N 3.07Å; V91-E94 PolarHBondContact O-N 3.33Å; E94-H96 VanDerWaalsContact C-N 3.34Å; E94-H96 PolarHBondContact O-N 2.96Å; E94-R97 PolarHBondContact O-N 3.45Å; E94-F98 VanDerWaalsContact O-CB 3.29Å; E94-F98 WeakPolarHBondContact O-CB 3.31Å; E94-F98 PolarHBondContact O-N 3.46Å; E94-N122 HydrophobicContact CB-CB 4.23Å; E94-N122 HydrophobicContact CG-CB 3.8Å; E94-N122 WeakPolarHBondContact OE2-CB 3.3Å; E94-N122 PolarHBondContact OE2-ND2 3.22Å
95H97.1Very high93Very high69 Ų6982.7 Ų82.732%0.31942%0.421SS..Hα-helixtrans-58.2-47.2171.6-74.9-165.1000111.1V91 R97 F98 R99 C123 F125V91-H95 WeakPolarHBondContact CG1-NE2 3.34Å; V91-H95 PolarHBondContact O-CD2 2.81Å; V91-H95 VanDerWaalsContact O-CD2 3.23Å; V91-H95 PolarHBondContact O-N 3.26Å; H95-R97 VanDerWaalsContact C-N 3.33Å; H95-R97 PolarHBondContact O-N 2.96Å; H95-F98 PolarHBondContact O-N 3.14Å; H95-R99 WeakPolarHBondContact O-CB 3.22Å; H95-R99 VanDerWaalsContact O-CG 3.26Å; H95-R99 WeakPolarHBondContact O-CG 3.41Å; H95-R99 PolarHBondContact O-N 3.29Å; H95-C123 VanDerWaalsContact CD2-CB 3.49Å; H95-C123 WeakPolarHBondContact CD2-CB 3.4Å; H95-C123 PolarHBondContact CD2-O 3.4Å; H95-C123 PolarHBondContact NE2-O 2.84Å; H95-F125 AromaticContact CD2-CE1 3.62Å; H95-F125 AromaticContact CE1-CE1 3.92Å; H95-F125 AromaticContact NE2-CD1 3.74Å; H95-F125 AromaticContact NE2-CE1 3.4Å; H95-F125 WeakPolarHBondContact NE2-CE1 3.45Å
96H97.1Very high93.1Very high118 Ų11890.5 Ų90.555%0.54646%0.458SS..Hα-helixtrans-59.2-46.1177.1-176.878.4000111.5C92 A93 E94 F98 R99 K100C92-H96 WeakPolarHBondContact O-CB 3.32Å; C92-H96 PolarHBondContact O-N 3.2Å; A93-H96 WeakPolarHBondContact O-CB 3.38Å; A93-H96 PolarHBondContact O-N 2.81Å; E94-H96 VanDerWaalsContact C-N 3.34Å; E94-H96 PolarHBondContact O-N 2.96Å; H96-F98 PolarHBondContact O-N 3.37Å; H96-R99 PolarHBondContact O-N 2.86Å; H96-K100 WeakPolarHBondContact O-CB 3.35Å; H96-K100 WeakPolarHBondContact O-CG 3.4Å; H96-K100 PolarHBondContact O-N 3.06Å
97R95.7Very high93.8Very high164 Ų16488.7 Ų88.762%0.61945%0.445SS*.Hα-helixtrans-60.7-45.8177.9-163.5-171.7178.3125.20.9111.3A93 E94 H95 K100 R101 M119A93-R97 WeakPolarHBondContact O-CB 3.46Å; A93-R97 PolarHBondContact O-N 2.8Å; E94-R97 PolarHBondContact O-N 3.45Å; H95-R97 VanDerWaalsContact C-N 3.33Å; H95-R97 PolarHBondContact O-N 2.96Å; R97-K100 PolarHBondContact O-N 3.25Å; R97-R101 PolarHBondContact O-N 2.74Å; R97-M119 VanDerWaalsContact C-CE 3.47Å; R97-M119 HydrophobicContact CB-CE 4.03Å; R97-M119 HydrophobicContact CG-CE 3.58Å; R97-M119 WeakPolarHBondContact O-CE 3.36Å
98F97.8Very high94.7Very high0 Ų086.8 Ų86.80%043%0.433CS..Hα-helixtrans-59.8-46.8177-178.6-91000111.8E94 H95 H96 K100 R101 L116 M119 A120 F125 M132 I133 Q136E94-F98 VanDerWaalsContact O-CB 3.29Å; E94-F98 WeakPolarHBondContact O-CB 3.31Å; E94-F98 PolarHBondContact O-N 3.46Å; H95-F98 PolarHBondContact O-N 3.14Å; H96-F98 PolarHBondContact O-N 3.37Å; F98-K100 VanDerWaalsContact C-N 3.27Å; F98-K100 PolarHBondContact O-N 3.37Å; F98-R101 WeakPolarHBondContact O-CB 3.16Å; F98-R101 PolarHBondContact O-N 2.96Å; F98-R101 VanDerWaalsContact O-N 3.09Å; F98-L116 HydrophobicContact CE2-CB 4.32Å; F98-L116 HydrophobicContact CE2-CD2 4.17Å; F98-L116 HydrophobicContact CZ-CD2 4.44Å; F98-M119 HydrophobicContact CB-CE 4.38Å; F98-M119 HydrophobicContact CD2-CB 3.98Å; F98-A120 HydrophobicContact CE2-CB 4.08Å; F98-F125 HydrophobicContact CD1-CE2 4.14Å; F98-F125 AromaticContact CD1-CZ 3.82Å; F98-F125 HydrophobicContact CD1-CZ 3.82Å; F98-F125 HydrophobicContact CD2-CE2 4.14Å; F98-F125 HydrophobicContact CD2-CZ 4.48Å; F98-F125 AromaticContact CE1-CE2 3.97Å; F98-F125 HydrophobicContact CE1-CE2 3.97Å; F98-F125 AromaticContact CE1-CZ 3.95Å; F98-F125 HydrophobicContact CE1-CZ 3.95Å; F98-F125 HydrophobicContact CE2-CE2 4Å; F98-F125 HydrophobicContact CG-CE2 4.2Å; F98-F125 HydrophobicContact CG-CZ 4.08Å; F98-F125 AromaticContact CZ-CE2 3.9Å; F98-F125 HydrophobicContact CZ-CE2 3.9Å; F98-F125 HydrophobicContact CZ-CZ 4.35Å; F98-M132 HydrophobicContact CE1-CB 4.37Å; F98-M132 WeakPolarHBondContact CE1-O 3.35Å; F98-M132 HydrophobicContact CZ-CB 4.47Å; F98-I133 HydrophobicContact CE2-CG1 4.24Å; F98-I133 HydrophobicContact CZ-CG1 4.08Å; F98-Q136 HydrophobicContact CD1-CB 4.35Å; F98-Q136 HydrophobicContact CD1-CG 4.22Å; F98-Q136 HydrophobicContact CE1-CB 3.51Å; F98-Q136 HydrophobicContact CE1-CG 3.82Å; F98-Q136 HydrophobicContact CZ-CB 3.86Å; F98-Q136 HydrophobicContact CZ-CG 4.22Å
99R98.1Very high95.5Very high102 Ų10277.1 Ų77.139%0.38539%0.391SS..Hα-helixtrans-67.2-26.1177.5-65.2-59.5-176.8170-1.5113.4H95 H96 R101 Y102 M132 Q136H95-R99 WeakPolarHBondContact O-CB 3.22Å; H95-R99 VanDerWaalsContact O-CG 3.26Å; H95-R99 WeakPolarHBondContact O-CG 3.41Å; H95-R99 PolarHBondContact O-N 3.29Å; H96-R99 PolarHBondContact O-N 2.86Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R99-Y102 WeakPolarHBondContact O-CE2 3.45Å; R99-M132 PolarHBondContact NH2-SD 3.48Å; R99-M132 VanDerWaalsContact NH2-SD 3.41Å; R99-Q136 VanDerWaalsContact CD-OE1 3.25Å; R99-Q136 PolarHBondContact O-NE2 3.34Å; R99-Q136 VanDerWaalsContact O-NE2 3.13Å
100K97.7Very high96.2Very high138 Ų13877.1 Ų77.160%0.639%0.388SS*.THydrogen-bonded Turntrans-80.9-5.6173.9-74.2-67.3-175.9-1760113.8H96 R97 F98 Y102H96-K100 WeakPolarHBondContact O-CB 3.35Å; H96-K100 WeakPolarHBondContact O-CG 3.4Å; H96-K100 PolarHBondContact O-N 3.06Å; R97-K100 PolarHBondContact O-N 3.25Å; F98-K100 VanDerWaalsContact C-N 3.27Å; F98-K100 PolarHBondContact O-N 3.37Å; K100-Y102 WeakPolarHBondContact O-CD2 3.35Å; K100-Y102 PolarHBondContact O-N 3.36Å
101R97.9Very high96.5Very high40 Ų4080.6 Ų80.615%0.15139%0.391CS..  trans-83.3100.1177-174.449.317297.73.7109.9R97 F98 R99 E107 Y112 A115 L116 M119 Q136R97-R101 PolarHBondContact O-N 2.74Å; F98-R101 WeakPolarHBondContact O-CB 3.16Å; F98-R101 PolarHBondContact O-N 2.96Å; F98-R101 VanDerWaalsContact O-N 3.09Å; R99-R101 VanDerWaalsContact C-N 3.29Å; R101-E107 IonicContact CZ-OE1 2.66Å; R101-E107 IonicContact CZ-OE2 3.12Å; R101-E107 IonicContact NH1-OE1 2.74Å; R101-E107 IonicContact NH1-OE2 3.4Å; R101-E107 PolarHBondContact NH1-OE2 3.35Å; R101-E107 VanDerWaalsContact NH2-CD 3.29Å; R101-E107 IonicContact NH2-OE1 3.79Å; R101-E107 PolarHBondContact NH2-OE1 2.97Å; R101-E107 IonicContact NH2-OE2 2.73Å; R101-E107 PolarHBondContact NH2-OE2 3.34Å; R101-E107 VanDerWaalsContact NH2-OE2 3.12Å; R101-Y112 HydrophobicContact CG-CE2 4.17Å; R101-Y112 VanDerWaalsContact NH1-CD2 3.34Å; R101-Y112 PolarHBondContact O-OH 2.94Å; R101-Y112 VanDerWaalsContact O-OH 3.08Å; R101-A115 VanDerWaalsContact NH2-CB 3.29Å; R101-L116 HydrophobicContact CB-CD2 4.08Å; R101-L116 HydrophobicContact CG-CD2 3.86Å; R101-M119 HydrophobicContact CB-CE 4.32Å; R101-M119 HydrophobicContact CB-SD 3.94Å; R101-M119 HydrophobicContact CG-SD 3.89Å; R101-Q136 PolarHBondContact O-NE2 3.05Å
102Y98.4Very high96.7Very high106 Ų10677.3 Ų77.342%0.41637%0.371SS..PPolyproline II helixtrans-102.5152.4170.9-73.2-102.6000109.7R99 K100 L104 E139 G140R99-Y102 WeakPolarHBondContact O-CE2 3.45Å; K100-Y102 WeakPolarHBondContact O-CD2 3.35Å; K100-Y102 PolarHBondContact O-N 3.36Å; Y102-L104 PolarHBondContact O-N 2.9Å; Y102-E139 HydrophobicContact CE1-CG 4.28Å; Y102-E139 PolarHBondContact OH-OE1 3.43Å; Y102-G140 VanDerWaalsContact CD1-CA 3.46Å
103Q98.4Very high96.9Very high20 Ų2072.9 Ų72.99%0.09334%0.341CS..PPolyproline II helixtrans-55.8126.9174-172.6177.224.500109.5E107 Y112 G140 S142Q103-E107 HydrophobicContact CG-CB 4.15Å; Q103-E107 HydrophobicContact CG-CG 4.42Å; Q103-E107 PolarHBondContact NE2-O 3.41Å; Q103-Y112 HydrophobicContact CB-CD1 3.76Å; Q103-Y112 HydrophobicContact CB-CD2 4.19Å; Q103-Y112 HydrophobicContact CB-CE1 4.01Å; Q103-Y112 HydrophobicContact CB-CE2 4.41Å; Q103-Y112 HydrophobicContact CB-CG 3.87Å; Q103-Y112 HydrophobicContact CG-CD1 4.15Å; Q103-Y112 HydrophobicContact CG-CG 4.09Å; Q103-G140 WeakPolarHBondContact CB-O 3.28Å; Q103-G140 PolarHBondContact N-O 2.93Å; Q103-S142 PolarHBondContact OE1-OG 2.7Å
104L97.3Very high96.9Very high100 Ų10073.4 Ų73.452%0.52435%0.345SS..PPolyproline II helixtrans-71.4157.8178.9-60.5174.2000110.5Y102 E106 E107Y102-L104 PolarHBondContact O-N 2.9Å; L104-E106 PolarHBondContact O-N 3.21Å; L104-E107 HydrophobicContact CB-CB 3.87Å; L104-E107 PolarHBondContact N-OE2 2.96Å; L104-E107 WeakPolarHBondContact O-CB 3.44Å; L104-E107 PolarHBondContact O-N 3.24Å
105P93.8Very high97Very high121 Ų12174 Ų7479%0.78635%0.351SS*.THydrogen-bonded Turntrans-53.6130170.6-24.334.4000110.7E107P105-E107 PolarHBondContact O-N 2.96Å; P105-E107 VanDerWaalsContact O-N 3.11Å
106E92.1Very high97Very high192 Ų19270.7 Ų70.790%0.89734%0.336SS*.THydrogen-bonded Turntrans61.97.5-177.6-51.7-55.4131.400116.2L104 P108L104-E106 PolarHBondContact O-N 3.21Å; E106-P108 WeakPolarHBondContact O-CD 3.41Å
107E97.2Very high97Very high28 Ų2869.9 Ų69.913%0.13133%0.328CS..  trans-72.4124.7172.9174.3175.2-140.900110.1R101 Q103 L104 P105 R111 Y112R101-E107 IonicContact CZ-OE1 2.66Å; R101-E107 IonicContact CZ-OE2 3.12Å; R101-E107 IonicContact NH1-OE1 2.74Å; R101-E107 IonicContact NH1-OE2 3.4Å; R101-E107 PolarHBondContact NH1-OE2 3.35Å; R101-E107 VanDerWaalsContact NH2-CD 3.29Å; R101-E107 IonicContact NH2-OE1 3.79Å; R101-E107 PolarHBondContact NH2-OE1 2.97Å; R101-E107 IonicContact NH2-OE2 2.73Å; R101-E107 PolarHBondContact NH2-OE2 3.34Å; R101-E107 VanDerWaalsContact NH2-OE2 3.12Å; Q103-E107 HydrophobicContact CG-CB 4.15Å; Q103-E107 HydrophobicContact CG-CG 4.42Å; Q103-E107 PolarHBondContact NE2-O 3.41Å; L104-E107 HydrophobicContact CB-CB 3.87Å; L104-E107 PolarHBondContact N-OE2 2.96Å; L104-E107 WeakPolarHBondContact O-CB 3.44Å; L104-E107 PolarHBondContact O-N 3.24Å; P105-E107 PolarHBondContact O-N 2.96Å; P105-E107 VanDerWaalsContact O-N 3.11Å; E107-R111 HydrophobicContact CG-CB 3.97Å; E107-Y112 PolarHBondContact OE1-N 3.5Å
108P97Very high96.8Very high42 Ų4266 Ų6627%0.27332%0.317SS..  trans-71.1151.9176.731.1-36.1000111.4E106 D110 R111 Y112 E169E106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-D110 VanDerWaalsContact CB-OD1 3.22Å; P108-D110 WeakPolarHBondContact CB-OD1 3.43Å; P108-D110 WeakPolarHBondContact CG-OD1 3.41Å; P108-D110 PolarHBondContact O-N 2.7Å; P108-R111 HydrophobicContact CG-CB 4.05Å; P108-R111 HydrophobicContact CG-CG 3.64Å; P108-R111 PolarHBondContact O-N 3.11Å; P108-R111 VanDerWaalsContact O-N 3.08Å; P108-Y112 PolarHBondContact O-N 2.98Å; P108-Y112 VanDerWaalsContact O-N 3.1Å; P108-E169 WeakPolarHBondContact CA-OE2 3.24Å
109V97.7Very high96.6Very high1 Ų167.3 Ų67.31%0.00632%0.324CS..Hα-helixtrans-55.4-36.6-175168.30000112.8Y112 V113 I141 F162 E169V109-Y112 PolarHBondContact O-N 2.88Å; V109-V113 HydrophobicContact CG1-CG2 4.33Å; V109-V113 WeakPolarHBondContact O-CG2 3.36Å; V109-V113 PolarHBondContact O-N 2.99Å; V109-I141 HydrophobicContact CG2-CD1 4.29Å; V109-F162 HydrophobicContact CG1-CD2 4.09Å; V109-F162 HydrophobicContact CG1-CE2 4.16Å; V109-E169 WeakPolarHBondContact CG2-OE2 3.5Å; V109-E169 PolarHBondContact N-OE2 3.2Å
110D97.5Very high96.5Very high67 Ų6762.5 Ų62.536%0.35831%0.305SS..Hα-helixtrans-61.8-42.317869.1-35.3000112.8P108 A114 F162P108-D110 VanDerWaalsContact CB-OD1 3.22Å; P108-D110 WeakPolarHBondContact CB-OD1 3.43Å; P108-D110 WeakPolarHBondContact CG-OD1 3.41Å; P108-D110 PolarHBondContact O-N 2.7Å; D110-A114 VanDerWaalsContact O-CB 3.26Å; D110-A114 WeakPolarHBondContact O-CB 3.26Å; D110-A114 PolarHBondContact O-N 2.72Å; D110-F162 HydrophobicContact CB-CE2 4.24Å; D110-F162 HydrophobicContact CB-CZ 4.2Å
111R97.4Very high96.1Very high166 Ų16657.3 Ų57.363%0.62629%0.286SS*.Hα-helixtrans-69.7-39.8176.6-64.6-65.1171168.50.7111.7E107 P108 A114 A115E107-R111 HydrophobicContact CG-CB 3.97Å; P108-R111 HydrophobicContact CG-CB 4.05Å; P108-R111 HydrophobicContact CG-CG 3.64Å; P108-R111 PolarHBondContact O-N 3.11Å; P108-R111 VanDerWaalsContact O-N 3.08Å; R111-A114 PolarHBondContact O-N 3.06Å; R111-A115 PolarHBondContact O-N 3.28Å
112Y98.3Very high95.7Very high0 Ų058.4 Ų58.40%030%0.295CS..Hα-helixtrans-62-50.2176178.2-138.7000111.9R101 Q103 E107 P108 V109 A114 A115 L116 Q136 L137 G140R101-Y112 HydrophobicContact CG-CE2 4.17Å; R101-Y112 VanDerWaalsContact NH1-CD2 3.34Å; R101-Y112 PolarHBondContact O-OH 2.94Å; R101-Y112 VanDerWaalsContact O-OH 3.08Å; Q103-Y112 HydrophobicContact CB-CD1 3.76Å; Q103-Y112 HydrophobicContact CB-CD2 4.19Å; Q103-Y112 HydrophobicContact CB-CE1 4.01Å; Q103-Y112 HydrophobicContact CB-CE2 4.41Å; Q103-Y112 HydrophobicContact CB-CG 3.87Å; Q103-Y112 HydrophobicContact CG-CD1 4.15Å; Q103-Y112 HydrophobicContact CG-CG 4.09Å; E107-Y112 PolarHBondContact OE1-N 3.5Å; P108-Y112 PolarHBondContact O-N 2.98Å; P108-Y112 VanDerWaalsContact O-N 3.1Å; V109-Y112 PolarHBondContact O-N 2.88Å; Y112-A114 VanDerWaalsContact C-N 3.33Å; Y112-A114 PolarHBondContact O-N 3.49Å; Y112-A115 WeakPolarHBondContact O-CB 3.29Å; Y112-A115 PolarHBondContact O-N 2.97Å; Y112-L116 HydrophobicContact CD2-CD1 4.48Å; Y112-L116 HydrophobicContact CD2-CG 4.28Å; Y112-L116 HydrophobicContact CE1-CD1 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 3.97Å; Y112-L116 HydrophobicContact CE2-CD2 3.96Å; Y112-L116 HydrophobicContact CE2-CG 3.88Å; Y112-L116 PolarHBondContact O-N 3.42Å; Y112-Q136 PolarHBondContact OH-O 3.32Å; Y112-L137 HydrophobicContact CD1-CD1 3.8Å; Y112-L137 HydrophobicContact CE1-CD1 3.78Å; Y112-G140 WeakPolarHBondContact OH-CA 3.5Å
113V98.2Very high95.5Very high5 Ų553.4 Ų53.43%0.0328%0.275CS..Hα-helixtrans-64.6-37.3178174.80000111.7V109 A115 L116 R117 L137 F162V109-V113 HydrophobicContact CG1-CG2 4.33Å; V109-V113 WeakPolarHBondContact O-CG2 3.36Å; V109-V113 PolarHBondContact O-N 2.99Å; V113-A115 VanDerWaalsContact C-N 3.33Å; V113-A115 PolarHBondContact O-N 3Å; V113-L116 PolarHBondContact O-N 2.96Å; V113-R117 HydrophobicContact CG1-CG 4.43Å; V113-R117 WeakPolarHBondContact O-CG 3.4Å; V113-R117 PolarHBondContact O-N 3.44Å; V113-L137 HydrophobicContact CG2-CD1 3.88Å; V113-L137 HydrophobicContact CG2-CD2 3.99Å; V113-L137 HydrophobicContact CG2-CG 4.45Å; V113-F162 HydrophobicContact CB-CD2 4.07Å; V113-F162 HydrophobicContact CB-CE2 4.27Å; V113-F162 HydrophobicContact CG1-CD2 4.21Å; V113-F162 HydrophobicContact CG2-CD2 3.79Å; V113-F162 HydrophobicContact CG2-CE2 4.32Å
114A96.2Very high95.3Very high55 Ų5556 Ų5646%0.45530%0.3SS..Hα-helixtrans-60.1-42.5174.300000111.9D110 R111 Y112 R117 E118D110-A114 VanDerWaalsContact O-CB 3.26Å; D110-A114 WeakPolarHBondContact O-CB 3.26Å; D110-A114 PolarHBondContact O-N 2.72Å; R111-A114 PolarHBondContact O-N 3.06Å; Y112-A114 VanDerWaalsContact C-N 3.33Å; Y112-A114 PolarHBondContact O-N 3.49Å; A114-R117 PolarHBondContact O-N 3.5Å; A114-E118 PolarHBondContact O-N 3.02Å
115A96Very high95.2Very high19 Ų1952.3 Ų52.316%0.15728%0.28CS..Hα-helixtrans-64.4-41.417600000112.2R101 R111 Y112 V113 R117 E118 M119R101-A115 VanDerWaalsContact NH2-CB 3.29Å; R111-A115 PolarHBondContact O-N 3.28Å; Y112-A115 WeakPolarHBondContact O-CB 3.29Å; Y112-A115 PolarHBondContact O-N 2.97Å; V113-A115 VanDerWaalsContact C-N 3.33Å; V113-A115 PolarHBondContact O-N 3Å; A115-R117 PolarHBondContact O-N 2.94Å; A115-E118 PolarHBondContact O-N 3.37Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 3.07Å
116L97.9Very high95.3Very high0 Ų049 Ų490%027%0.267CS..Hα-helixtrans-61.4-43.6174.6-66.3178.3000111.8F98 R101 Y112 V113 E118 M119 A120 I133 Q136 L137F98-L116 HydrophobicContact CE2-CB 4.32Å; F98-L116 HydrophobicContact CE2-CD2 4.17Å; F98-L116 HydrophobicContact CZ-CD2 4.44Å; R101-L116 HydrophobicContact CB-CD2 4.08Å; R101-L116 HydrophobicContact CG-CD2 3.86Å; Y112-L116 HydrophobicContact CD2-CD1 4.48Å; Y112-L116 HydrophobicContact CD2-CG 4.28Å; Y112-L116 HydrophobicContact CE1-CD1 4.15Å; Y112-L116 HydrophobicContact CE2-CD1 3.97Å; Y112-L116 HydrophobicContact CE2-CD2 3.96Å; Y112-L116 HydrophobicContact CE2-CG 3.88Å; Y112-L116 PolarHBondContact O-N 3.42Å; V113-L116 PolarHBondContact O-N 2.96Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 3.02Å; L116-M119 PolarHBondContact O-N 2.88Å; L116-A120 WeakPolarHBondContact O-CB 3.2Å; L116-A120 PolarHBondContact O-N 3.17Å; L116-I133 HydrophobicContact CB-CG2 3.94Å; L116-I133 HydrophobicContact CD1-CG2 4.19Å; L116-Q136 HydrophobicContact CD1-CB 4.29Å; L116-Q136 HydrophobicContact CD1-CG 4.21Å; L116-Q136 HydrophobicContact CD2-CB 4.34Å; L116-Q136 HydrophobicContact CD2-CG 3.58Å; L116-L137 HydrophobicContact CD1-CB 4.33Å
117R96.2Very high95.5Very high102 Ų10245.7 Ų45.739%0.38526%0.262SS..Hα-helixtrans-64.5-30176.5-75.3-174.7-178.5-71.27.4113.3V113 A114 A115 P121 D130 I133 L158V113-R117 HydrophobicContact CG1-CG 4.43Å; V113-R117 WeakPolarHBondContact O-CG 3.4Å; V113-R117 PolarHBondContact O-N 3.44Å; A114-R117 PolarHBondContact O-N 3.5Å; A115-R117 PolarHBondContact O-N 2.94Å; R117-P121 VanDerWaalsContact O-CD 3.28Å; R117-P121 WeakPolarHBondContact O-CD 3.49Å; R117-D130 IonicContact NH1-OD1 2.85Å; R117-D130 PolarHBondContact NH1-OD1 2.87Å; R117-I133 HydrophobicContact CG-CD1 3.95Å; R117-L158 VanDerWaalsContact CZ-CD2 3.47Å
118E92.4Very high95.5Very high81 Ų8148.7 Ų48.738%0.37928%0.279SS..Hα-helixtrans-70.9-34.5174.6-175.6172.8-143.300112P23 T26 A114 A115 L116 P121P23-E118 VanDerWaalsContact CD-OE1 3.24Å; P23-E118 WeakPolarHBondContact CD-OE1 3.23Å; P23-E118 HydrophobicContact CG-CG 4.43Å; P23-E118 VanDerWaalsContact CG-OE1 3.27Å; P23-E118 WeakPolarHBondContact CG-OE1 3.28Å; T26-E118 PolarHBondContact OG1-OE1 3.38Å; A114-E118 PolarHBondContact O-N 3.02Å; A115-E118 PolarHBondContact O-N 3.37Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 3.02Å; E118-P121 WeakPolarHBondContact O-CD 3.33Å
119M93.4Very high95.5Very high29 Ų2949.7 Ų49.714%0.14328%0.28CS..Hα-helixtrans-83.7-34.9-178-65.4176.770.400113.8R97 F98 R101 A115 L116 P121 N122R97-M119 VanDerWaalsContact C-CE 3.47Å; R97-M119 HydrophobicContact CB-CE 4.03Å; R97-M119 HydrophobicContact CG-CE 3.58Å; R97-M119 WeakPolarHBondContact O-CE 3.36Å; F98-M119 HydrophobicContact CB-CE 4.38Å; F98-M119 HydrophobicContact CD2-CB 3.98Å; R101-M119 HydrophobicContact CB-CE 4.32Å; R101-M119 HydrophobicContact CB-SD 3.94Å; R101-M119 HydrophobicContact CG-SD 3.89Å; A115-M119 WeakPolarHBondContact O-CG 3.43Å; A115-M119 PolarHBondContact O-N 3.07Å; L116-M119 PolarHBondContact O-N 2.88Å; M119-P121 VanDerWaalsContact C-N 3.32Å; M119-N122 PolarHBondContact O-N 2.92Å; M119-N122 VanDerWaalsContact O-N 3.17Å
120A94.9Very high95.6Very high0 Ų053.3 Ų53.30%030%0.299CS..G310 helixtrans-52.4-38.2-173.300000115F98 L116 N122 C123 F125 E129 I133F98-A120 HydrophobicContact CE2-CB 4.08Å; L116-A120 WeakPolarHBondContact O-CB 3.2Å; L116-A120 PolarHBondContact O-N 3.17Å; A120-N122 VanDerWaalsContact C-N 3.27Å; A120-N122 PolarHBondContact O-N 3.23Å; A120-C123 VanDerWaalsContact O-CB 3.24Å; A120-C123 WeakPolarHBondContact O-CB 3.46Å; A120-C123 PolarHBondContact O-N 3.13Å; A120-F125 HydrophobicContact CB-CD2 4.2Å; A120-F125 HydrophobicContact CB-CE2 4.28Å; A120-E129 HydrophobicContact CB-CG 3.83Å; A120-I133 HydrophobicContact CB-CD1 3.76Å; A120-I133 HydrophobicContact CB-CG1 3.87Å
121P90Very high95.6Very high29 Ų2953.3 Ų53.319%0.18830%0.297CS..G310 helixtrans-68.3-22.4-177.2-21.233000115.1R117 E118 M119 C123R117-P121 VanDerWaalsContact O-CD 3.28Å; R117-P121 WeakPolarHBondContact O-CD 3.49Å; E118-P121 WeakPolarHBondContact O-CD 3.33Å; M119-P121 VanDerWaalsContact C-N 3.32Å; P121-C123 PolarHBondContact O-N 3.42Å
122N89.7Confident95.6Very high64 Ų6447 Ų4734%0.34228%0.275SS..G310 helixtrans-76.5-14.9174.3-59.8-17.4000112E94 M119 A120E94-N122 HydrophobicContact CB-CB 4.23Å; E94-N122 HydrophobicContact CG-CB 3.8Å; E94-N122 WeakPolarHBondContact OE2-CB 3.3Å; E94-N122 PolarHBondContact OE2-ND2 3.22Å; M119-N122 PolarHBondContact O-N 2.92Å; M119-N122 VanDerWaalsContact O-N 3.17Å; A120-N122 VanDerWaalsContact C-N 3.27Å; A120-N122 PolarHBondContact O-N 3.23Å
123C93.9Very high95.7Very high1 Ų147 Ų471%0.00728%0.275CS..G310 helixtrans-86.6-5.3-176.2-62.10000113.2V91 H95 A120 P121 F125V91-C123 WeakPolarHBondContact CG1-O 3.28Å; H95-C123 VanDerWaalsContact CD2-CB 3.49Å; H95-C123 WeakPolarHBondContact CD2-CB 3.4Å; H95-C123 PolarHBondContact CD2-O 3.4Å; H95-C123 PolarHBondContact NE2-O 2.84Å; A120-C123 VanDerWaalsContact O-CB 3.24Å; A120-C123 WeakPolarHBondContact O-CB 3.46Å; A120-C123 PolarHBondContact O-N 3.13Å; P121-C123 PolarHBondContact O-N 3.42Å; C123-F125 HydrophobicContact CB-CD1 3.85Å; C123-F125 HydrophobicContact CB-CD2 3.59Å; C123-F125 HydrophobicContact CB-CE1 3.56Å; C123-F125 HydrophobicContact CB-CE2 3.28Å; C123-F125 HydrophobicContact CB-CG 3.87Å; C123-F125 HydrophobicContact CB-CZ 3.27Å; C123-F125 PolarHBondContact O-N 3.44Å; C123-F125 VanDerWaalsContact O-N 3.1Å
124A93.4Very high95.7Very high73 Ų7349.6 Ų49.660%0.60328%0.284SS*.THydrogen-bonded Turntrans50.237.5-178.500000113.6V91 G126V91-A124 HydrophobicContact CG1-CB 4.41Å; V91-A124 HydrophobicContact CG2-CB 4.28Å; A124-G126 PolarHBondContact O-N 3.1Å
125F96.2Very high95.8Very high24 Ų2449.5 Ų49.511%0.10528%0.276CS..  trans-64.7-20.2179.2-64.3-45.3000113.3H95 F98 A120 C123 L128 E129 M132H95-F125 AromaticContact CD2-CE1 3.62Å; H95-F125 AromaticContact CE1-CE1 3.92Å; H95-F125 AromaticContact NE2-CD1 3.74Å; H95-F125 AromaticContact NE2-CE1 3.4Å; H95-F125 WeakPolarHBondContact NE2-CE1 3.45Å; F98-F125 HydrophobicContact CD1-CE2 4.14Å; F98-F125 AromaticContact CD1-CZ 3.82Å; F98-F125 HydrophobicContact CD1-CZ 3.82Å; F98-F125 HydrophobicContact CD2-CE2 4.14Å; F98-F125 HydrophobicContact CD2-CZ 4.48Å; F98-F125 AromaticContact CE1-CE2 3.97Å; F98-F125 HydrophobicContact CE1-CE2 3.97Å; F98-F125 AromaticContact CE1-CZ 3.95Å; F98-F125 HydrophobicContact CE1-CZ 3.95Å; F98-F125 HydrophobicContact CE2-CE2 4Å; F98-F125 HydrophobicContact CG-CE2 4.2Å; F98-F125 HydrophobicContact CG-CZ 4.08Å; F98-F125 AromaticContact CZ-CE2 3.9Å; F98-F125 HydrophobicContact CZ-CE2 3.9Å; F98-F125 HydrophobicContact CZ-CZ 4.35Å; A120-F125 HydrophobicContact CB-CD2 4.2Å; A120-F125 HydrophobicContact CB-CE2 4.28Å; C123-F125 HydrophobicContact CB-CD1 3.85Å; C123-F125 HydrophobicContact CB-CD2 3.59Å; C123-F125 HydrophobicContact CB-CE1 3.56Å; C123-F125 HydrophobicContact CB-CE2 3.28Å; C123-F125 HydrophobicContact CB-CG 3.87Å; C123-F125 HydrophobicContact CB-CZ 3.27Å; C123-F125 PolarHBondContact O-N 3.44Å; C123-F125 VanDerWaalsContact O-N 3.1Å; F125-L128 PolarHBondContact O-N 3.08Å; F125-E129 HydrophobicContact CB-CB 4.35Å; F125-M132 HydrophobicContact CB-CG 4.19Å; F125-M132 HydrophobicContact CD1-CB 4.18Å; F125-M132 HydrophobicContact CD1-CG 3.6Å; F125-M132 HydrophobicContact CD2-CB 3.7Å; F125-M132 HydrophobicContact CD2-CG 3.99Å; F125-M132 HydrophobicContact CE1-CB 4.15Å; F125-M132 HydrophobicContact CE1-CG 3.82Å; F125-M132 HydrophobicContact CE1-SD 4.41Å; F125-M132 HydrophobicContact CE2-CB 3.67Å; F125-M132 HydrophobicContact CE2-CG 4.19Å; F125-M132 HydrophobicContact CG-CB 3.96Å; F125-M132 HydrophobicContact CG-CG 3.68Å; F125-M132 HydrophobicContact CZ-CB 3.9Å; F125-M132 HydrophobicContact CZ-CG 4.11Å
126G95Very high95.9Very high50 Ų5048.7 Ų48.752%0.51527%0.269SS..G310 helixtrans61-129.4179.100000111.2A124 L128 E129A124-G126 PolarHBondContact O-N 3.1Å; G126-L128 PolarHBondContact O-N 2.97Å; G126-L128 VanDerWaalsContact O-N 3.12Å; G126-E129 PolarHBondContact O-N 3.38Å
127P96.9Very high95.9Very high124 Ų12448.7 Ų48.781%0.80527%0.269SS*.G310 helixtrans-67.1-11.9-177.329.8-35.5000113.8
128L97.3Very high96Very high90 Ų9044.9 Ų44.947%0.47126%0.256SS..G310 helixtrans-93.910.3-179.6-63.5175.5000113.6F125 G126 D130 E131 M132F125-L128 PolarHBondContact O-N 3.08Å; G126-L128 PolarHBondContact O-N 2.97Å; G126-L128 VanDerWaalsContact O-N 3.12Å; L128-D130 VanDerWaalsContact C-N 3.33Å; L128-D130 PolarHBondContact O-N 3.24Å; L128-E131 VanDerWaalsContact C-OE2 3.29Å; L128-E131 VanDerWaalsContact CA-OE2 3.24Å; L128-E131 WeakPolarHBondContact CA-OE2 3.4Å; L128-E131 HydrophobicContact CD2-CG 4.44Å; L128-E131 PolarHBondContact O-N 2.82Å; L128-M132 HydrophobicContact CB-CG 4.43Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.46Å; L128-M132 PolarHBondContact O-N 2.66Å
129E98Very high96.3Very high63 Ų6346 Ų4629%0.29426%0.262SS..Hα-helixtrans-55.3-47.1-174.7-173.9174.6115.300112.2A120 F125 G126 M132 I133A120-E129 HydrophobicContact CB-CG 3.83Å; F125-E129 HydrophobicContact CB-CB 4.35Å; G126-E129 PolarHBondContact O-N 3.38Å; E129-M132 PolarHBondContact O-N 2.89Å; E129-I133 HydrophobicContact CG-CD1 3.92Å; E129-I133 WeakPolarHBondContact O-CD1 3.41Å; E129-I133 VanDerWaalsContact O-CG1 3.28Å; E129-I133 WeakPolarHBondContact O-CG1 3.37Å; E129-I133 PolarHBondContact O-N 2.74Å
130D98.2Very high96.6Very high78 Ų7844.8 Ų44.842%0.41726%0.256SS..Hα-helixtrans-68.9-37.1-177.9-86.8-5.5000112R117 L128 I133 R134 L158R117-D130 IonicContact NH1-OD1 2.85Å; R117-D130 PolarHBondContact NH1-OD1 2.87Å; L128-D130 VanDerWaalsContact C-N 3.33Å; L128-D130 PolarHBondContact O-N 3.24Å; D130-I133 PolarHBondContact O-N 3.12Å; D130-R134 VanDerWaalsContact O-CB 3.29Å; D130-R134 WeakPolarHBondContact O-CB 3.49Å; D130-R134 PolarHBondContact O-N 3.23Å; D130-L158 HydrophobicContact CB-CB 4.16Å; D130-L158 HydrophobicContact CB-CD2 4.05Å; D130-L158 VanDerWaalsContact OD1-CD2 3.29Å; D130-L158 WeakPolarHBondContact OD1-CD2 3.13Å
131E98.2Very high96.7Very high67 Ų6744.9 Ų44.931%0.31326%0.256SS..Hα-helixtrans-63.8-44.8174.2-68.483.1171.500111.2L128 I133 R134 D135L128-E131 VanDerWaalsContact C-OE2 3.29Å; L128-E131 VanDerWaalsContact CA-OE2 3.24Å; L128-E131 WeakPolarHBondContact CA-OE2 3.4Å; L128-E131 HydrophobicContact CD2-CG 4.44Å; L128-E131 PolarHBondContact O-N 2.82Å; E131-I133 VanDerWaalsContact C-N 3.34Å; E131-I133 PolarHBondContact O-N 3.3Å; E131-R134 PolarHBondContact O-N 3.28Å; E131-D135 WeakPolarHBondContact O-CB 3.42Å; E131-D135 PolarHBondContact O-N 2.92Å
132M98.4Very high97.1Very high34 Ų3447.1 Ų47.117%0.16727%0.273CS..Hα-helixtrans-65.4-38.6179.7-66-59102.800111.8F98 R99 F125 L128 E129 Q136F98-M132 HydrophobicContact CE1-CB 4.37Å; F98-M132 WeakPolarHBondContact CE1-O 3.35Å; F98-M132 HydrophobicContact CZ-CB 4.47Å; R99-M132 PolarHBondContact NH2-SD 3.48Å; R99-M132 VanDerWaalsContact NH2-SD 3.41Å; F125-M132 HydrophobicContact CB-CG 4.19Å; F125-M132 HydrophobicContact CD1-CB 4.18Å; F125-M132 HydrophobicContact CD1-CG 3.6Å; F125-M132 HydrophobicContact CD2-CB 3.7Å; F125-M132 HydrophobicContact CD2-CG 3.99Å; F125-M132 HydrophobicContact CE1-CB 4.15Å; F125-M132 HydrophobicContact CE1-CG 3.82Å; F125-M132 HydrophobicContact CE1-SD 4.41Å; F125-M132 HydrophobicContact CE2-CB 3.67Å; F125-M132 HydrophobicContact CE2-CG 4.19Å; F125-M132 HydrophobicContact CG-CB 3.96Å; F125-M132 HydrophobicContact CG-CG 3.68Å; F125-M132 HydrophobicContact CZ-CB 3.9Å; F125-M132 HydrophobicContact CZ-CG 4.11Å; L128-M132 HydrophobicContact CB-CG 4.43Å; L128-M132 VanDerWaalsContact O-CG 3.27Å; L128-M132 WeakPolarHBondContact O-CG 3.46Å; L128-M132 PolarHBondContact O-N 2.66Å; E129-M132 PolarHBondContact O-N 2.89Å; M132-Q136 WeakPolarHBondContact O-CB 3.34Å; M132-Q136 PolarHBondContact O-N 3.02Å
133I98.7Very high97.4Very high0 Ų045.5 Ų45.50%027%0.267CS..Hα-helixtrans-67.5-42.8173.8-62.7162.3000111F98 L116 R117 A120 E129 D130 E131 Q136 L137 L158F98-I133 HydrophobicContact CE2-CG1 4.24Å; F98-I133 HydrophobicContact CZ-CG1 4.08Å; L116-I133 HydrophobicContact CB-CG2 3.94Å; L116-I133 HydrophobicContact CD1-CG2 4.19Å; R117-I133 HydrophobicContact CG-CD1 3.95Å; A120-I133 HydrophobicContact CB-CD1 3.76Å; A120-I133 HydrophobicContact CB-CG1 3.87Å; E129-I133 HydrophobicContact CG-CD1 3.92Å; E129-I133 WeakPolarHBondContact O-CD1 3.41Å; E129-I133 VanDerWaalsContact O-CG1 3.28Å; E129-I133 WeakPolarHBondContact O-CG1 3.37Å; E129-I133 PolarHBondContact O-N 2.74Å; D130-I133 PolarHBondContact O-N 3.12Å; E131-I133 VanDerWaalsContact C-N 3.34Å; E131-I133 PolarHBondContact O-N 3.3Å; I133-Q136 PolarHBondContact O-N 2.73Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.3Å; I133-L158 HydrophobicContact CB-CD1 4.22Å; I133-L158 HydrophobicContact CB-CD2 3.8Å; I133-L158 HydrophobicContact CD1-CD2 4.17Å; I133-L158 HydrophobicContact CG2-CD1 3.62Å; I133-L158 HydrophobicContact CG2-CD2 3.72Å; I133-L158 HydrophobicContact CG2-CG 4.35Å
134R98.6Very high97.5Very high59 Ų5950.3 Ų50.322%0.22329%0.289CS..Hα-helixtrans-59.6-48.8176.8176.8-161.264.4-153.2-10110.9D130 E131 Q136 L137 I138 L156 L158 A161D130-R134 VanDerWaalsContact O-CB 3.29Å; D130-R134 WeakPolarHBondContact O-CB 3.49Å; D130-R134 PolarHBondContact O-N 3.23Å; E131-R134 PolarHBondContact O-N 3.28Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 3.4Å; R134-L137 WeakPolarHBondContact O-CB 3.48Å; R134-L137 PolarHBondContact O-N 2.81Å; R134-I138 HydrophobicContact CG-CD1 4.16Å; R134-I138 WeakPolarHBondContact O-CG1 3.33Å; R134-I138 PolarHBondContact O-N 3.28Å; R134-L156 WeakPolarHBondContact CD-O 3.38Å; R134-L156 HydrophobicContact CG-CD2 4.39Å; R134-L156 PolarHBondContact NH1-O 3.2Å; R134-L158 HydrophobicContact CB-CB 4.22Å; R134-L158 HydrophobicContact CB-CD1 4.26Å; R134-A161 HydrophobicContact CG-CB 4.32Å
135D98.3Very high97.7Very high53 Ų5348.5 Ų48.528%0.28328%0.277SS..Hα-helixtrans-65.7-39.5-176.4-63.6-4000110.5E131 I138 E139E131-D135 WeakPolarHBondContact O-CB 3.42Å; E131-D135 PolarHBondContact O-N 2.92Å; D135-I138 PolarHBondContact O-N 2.91Å; D135-E139 WeakPolarHBondContact O-CB 3.49Å; D135-E139 PolarHBondContact O-N 3.37Å
136Q98.6Very high97.8Very high1 Ų147.8 Ų47.81%0.00528%0.275CS..Hα-helixtrans-69.7-32.9174.5-170.860.830.400113F98 R99 R101 Y112 L116 M132 I133 R134 G140F98-Q136 HydrophobicContact CD1-CB 4.35Å; F98-Q136 HydrophobicContact CD1-CG 4.22Å; F98-Q136 HydrophobicContact CE1-CB 3.51Å; F98-Q136 HydrophobicContact CE1-CG 3.82Å; F98-Q136 HydrophobicContact CZ-CB 3.86Å; F98-Q136 HydrophobicContact CZ-CG 4.22Å; R99-Q136 VanDerWaalsContact CD-OE1 3.25Å; R99-Q136 PolarHBondContact O-NE2 3.34Å; R99-Q136 VanDerWaalsContact O-NE2 3.13Å; R101-Q136 PolarHBondContact O-NE2 3.05Å; Y112-Q136 PolarHBondContact OH-O 3.32Å; L116-Q136 HydrophobicContact CD1-CB 4.29Å; L116-Q136 HydrophobicContact CD1-CG 4.21Å; L116-Q136 HydrophobicContact CD2-CB 4.34Å; L116-Q136 HydrophobicContact CD2-CG 3.58Å; M132-Q136 WeakPolarHBondContact O-CB 3.34Å; M132-Q136 PolarHBondContact O-N 3.02Å; I133-Q136 PolarHBondContact O-N 2.73Å; R134-Q136 VanDerWaalsContact C-N 3.32Å; R134-Q136 PolarHBondContact O-N 3.4Å; Q136-G140 WeakPolarHBondContact O-CA 3.49Å; Q136-G140 PolarHBondContact O-N 3.37Å
137L98.6Very high98Very high0 Ų048.3 Ų48.30%026%0.261CS..Hα-helixtrans-60.4-47.9171170.960.7000110.1Y112 V113 L116 I133 R134 I141 A161Y112-L137 HydrophobicContact CD1-CD1 3.8Å; Y112-L137 HydrophobicContact CE1-CD1 3.78Å; V113-L137 HydrophobicContact CG2-CD1 3.88Å; V113-L137 HydrophobicContact CG2-CD2 3.99Å; V113-L137 HydrophobicContact CG2-CG 4.45Å; L116-L137 HydrophobicContact CD1-CB 4.33Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.3Å; R134-L137 WeakPolarHBondContact O-CB 3.48Å; R134-L137 PolarHBondContact O-N 2.81Å; L137-I141 HydrophobicContact CD1-CD1 4.21Å; L137-I141 WeakPolarHBondContact O-CB 3.37Å; L137-I141 PolarHBondContact O-N 3.46Å; L137-A161 HydrophobicContact CD2-CB 3.93Å
138I98.5Very high98Very high23 Ų2348.8 Ų48.812%0.11825%0.252CS..Hα-helixtrans-64-47.6-179.9-63.5164.5000111.3R134 D135 I141 R147 L150 L151 L156R134-I138 HydrophobicContact CG-CD1 4.16Å; R134-I138 WeakPolarHBondContact O-CG1 3.33Å; R134-I138 PolarHBondContact O-N 3.28Å; D135-I138 PolarHBondContact O-N 2.91Å; I138-I141 WeakPolarHBondContact O-CG2 3.46Å; I138-R147 HydrophobicContact CG2-CG 4Å; I138-R147 WeakPolarHBondContact O-CG 3.37Å; I138-R147 PolarHBondContact O-NE 3.48Å; I138-L150 HydrophobicContact CG1-CB 4.18Å; I138-L150 HydrophobicContact CG1-CD1 3.94Å; I138-L151 HydrophobicContact CG2-CD2 3.84Å; I138-L151 HydrophobicContact CG2-CG 4.05Å; I138-L156 HydrophobicContact CD1-CD2 3.8Å; I138-L156 HydrophobicContact CG1-CD2 4.48Å
139E98.2Very high98.1Very high105 Ų10550.8 Ų50.849%0.49125%0.254SS..Hα-helixtrans-63.2-45.7179.7177.360.5-158.300111.5Y102 D135Y102-E139 HydrophobicContact CE1-CG 4.28Å; Y102-E139 PolarHBondContact OH-OE1 3.43Å; D135-E139 WeakPolarHBondContact O-CB 3.49Å; D135-E139 PolarHBondContact O-N 3.37Å
140G98.1Very high98.1Very high3 Ų347.8 Ų47.83%0.03124%0.24CC..Hα-helixtrans-95.4-2.4-169.800000116.3Y102 Q103 Y112 Q136Y102-G140 VanDerWaalsContact CD1-CA 3.46Å; Q103-G140 WeakPolarHBondContact CB-O 3.28Å; Q103-G140 PolarHBondContact N-O 2.93Å; Y112-G140 WeakPolarHBondContact OH-CA 3.5Å; Q136-G140 WeakPolarHBondContact O-CA 3.49Å; Q136-G140 PolarHBondContact O-N 3.37Å
141I98.3Very high98.1Very high1 Ų150 Ų501%0.00525%0.251CS..  trans-68.2137.7176.7-161.3161.4000110.9V109 L137 I138 I146 R147V109-I141 HydrophobicContact CG2-CD1 4.29Å; L137-I141 HydrophobicContact CD1-CD1 4.21Å; L137-I141 WeakPolarHBondContact O-CB 3.37Å; L137-I141 PolarHBondContact O-N 3.46Å; I138-I141 WeakPolarHBondContact O-CG2 3.46Å; I141-I146 HydrophobicContact CD1-CB 3.78Å; I141-I146 HydrophobicContact CD1-CD1 4.06Å; I141-I146 HydrophobicContact CD1-CG2 3.37Å; I141-R147 HydrophobicContact CG2-CB 3.86Å; I141-R147 HydrophobicContact CG2-CG 4.44Å; I141-R147 PolarHBondContact O-NH2 3.29Å
142S97.4Very high98.1Very high77 Ų7750 Ų5054%0.53826%0.259SS..SBendtrans-75.7-27.6-175.1610000113.8Q103Q103-S142 PolarHBondContact OE1-OG 2.7Å
143S97.1Very high98Very high30 Ų3050 Ų5021%0.2126%0.259CS..  trans-93.3107.8-174.8178.60000111.3G145 I146 R147S143-G145 VanDerWaalsContact C-N 3.27Å; S143-G145 PolarHBondContact O-N 2.92Å; S143-I146 WeakPolarHBondContact O-CA 3.39Å; S143-I146 PolarHBondContact O-N 3.25Å; S143-R147 PolarHBondContact O-N 3.39Å
144E96.5Very high97.9Very high101 Ų10154.9 Ų54.947%0.47229%0.291SS..Hα-helixtrans-51.3-44.1175.7-65.8-57144.400112.4I146 R147 E148E144-I146 PolarHBondContact O-N 3.09Å; E144-R147 WeakPolarHBondContact O-CB 3.49Å; E144-R147 PolarHBondContact O-N 3.41Å; E144-R147 VanDerWaalsContact O-N 3.07Å; E144-R147 IonicContact OE1-CZ 3.3Å; E144-R147 IonicContact OE1-NH1 3.33Å; E144-R147 PolarHBondContact OE1-NH1 3.13Å; E144-R147 IonicContact OE1-NH2 3.38Å; E144-R147 PolarHBondContact OE1-NH2 3.21Å; E144-R147 IonicContact OE2-CZ 3.68Å; E144-R147 IonicContact OE2-NH1 3.58Å; E144-R147 PolarHBondContact OE2-NH1 2.66Å; E144-E148 WeakPolarHBondContact O-CG 3.46Å; E144-E148 PolarHBondContact O-N 2.99Å
145G97.2Very high97.8Very high35 Ų3558.8 Ų58.836%0.36132%0.316SS..Hα-helixtrans-63.6-28.4178.200000113.9S143 R149 M168S143-G145 VanDerWaalsContact C-N 3.27Å; S143-G145 PolarHBondContact O-N 2.92Å; G145-R149 WeakPolarHBondContact O-CB 3.47Å; G145-R149 PolarHBondContact O-N 3.36Å; G145-M168 VanDerWaalsContact O-CE 3.32Å; G145-M168 WeakPolarHBondContact O-CE 3.41Å
146I98Very high97.8Very high9 Ų957 Ų575%0.04631%0.306CS..Hα-helixtrans-75.4-45173-58.8176.7000109I141 S143 E144 E148 R149 L150 S165 M168I141-I146 HydrophobicContact CD1-CB 3.78Å; I141-I146 HydrophobicContact CD1-CD1 4.06Å; I141-I146 HydrophobicContact CD1-CG2 3.37Å; S143-I146 WeakPolarHBondContact O-CA 3.39Å; S143-I146 PolarHBondContact O-N 3.25Å; E144-I146 PolarHBondContact O-N 3.09Å; I146-E148 PolarHBondContact O-N 2.94Å; I146-R149 PolarHBondContact O-N 3.5Å; I146-R149 VanDerWaalsContact O-N 3.13Å; I146-L150 HydrophobicContact CG2-CD1 4.08Å; I146-L150 HydrophobicContact CG2-CG 4.12Å; I146-L150 VanDerWaalsContact O-CG 3.29Å; I146-L150 WeakPolarHBondContact O-CG 3.3Å; I146-L150 PolarHBondContact O-N 3.3Å; I146-S165 WeakPolarHBondContact CG2-OG 3.28Å; I146-M168 HydrophobicContact CB-SD 4.33Å; I146-M168 HydrophobicContact CD1-CB 4.1Å; I146-M168 HydrophobicContact CG1-CB 3.81Å; I146-M168 HydrophobicContact CG1-CE 4.02Å; I146-M168 HydrophobicContact CG1-SD 4.04Å; I146-M168 HydrophobicContact CG2-SD 4.26Å
147R98.4Very high97.8Very high61 Ų6159.9 Ų59.923%0.2332%0.324CS..Hα-helixtrans-54.3-50.7176.1-169.9-175.2-61.3144.98.6111.8I138 I141 S143 E144 R149 L150 L151I138-R147 HydrophobicContact CG2-CG 4Å; I138-R147 WeakPolarHBondContact O-CG 3.37Å; I138-R147 PolarHBondContact O-NE 3.48Å; I141-R147 HydrophobicContact CG2-CB 3.86Å; I141-R147 HydrophobicContact CG2-CG 4.44Å; I141-R147 PolarHBondContact O-NH2 3.29Å; S143-R147 PolarHBondContact O-N 3.39Å; E144-R147 WeakPolarHBondContact O-CB 3.49Å; E144-R147 PolarHBondContact O-N 3.41Å; E144-R147 VanDerWaalsContact O-N 3.07Å; E144-R147 IonicContact OE1-CZ 3.3Å; E144-R147 IonicContact OE1-NH1 3.33Å; E144-R147 PolarHBondContact OE1-NH1 3.13Å; E144-R147 IonicContact OE1-NH2 3.38Å; E144-R147 PolarHBondContact OE1-NH2 3.21Å; E144-R147 IonicContact OE2-CZ 3.68Å; E144-R147 IonicContact OE2-NH1 3.58Å; E144-R147 PolarHBondContact OE2-NH1 2.66Å; R147-R149 VanDerWaalsContact C-N 3.32Å; R147-R149 PolarHBondContact O-N 3.29Å; R147-L150 PolarHBondContact O-N 3.46Å; R147-L151 HydrophobicContact CG-CD1 4.11Å; R147-L151 WeakPolarHBondContact O-CG 3.01Å; R147-L151 PolarHBondContact O-N 3.24Å
148E98.2Very high97.8Very high134 Ų13460 Ų6063%0.62633%0.325SS*.Hα-helixtrans-56-46.1175.7-73.1176.7-17500111.7E144 I146 L150 L151 S152E144-E148 WeakPolarHBondContact O-CG 3.46Å; E144-E148 PolarHBondContact O-N 2.99Å; I146-E148 PolarHBondContact O-N 2.94Å; E148-L150 PolarHBondContact O-N 3.19Å; E148-L151 PolarHBondContact O-N 3.42Å; E148-S152 PolarHBondContact O-N 2.95Å; E148-S152 VanDerWaalsContact O-N 3.09Å
149R98.3Very high97.7Very high132 Ų13265.4 Ų65.450%0.49835%0.349SS..Hα-helixtrans-63.1-43.9179.3-179.556.8178.8168.8-3111.7G145 I146 R147 S152 I153 V164 M168G145-R149 WeakPolarHBondContact O-CB 3.47Å; G145-R149 PolarHBondContact O-N 3.36Å; I146-R149 PolarHBondContact O-N 3.5Å; I146-R149 VanDerWaalsContact O-N 3.13Å; R147-R149 VanDerWaalsContact C-N 3.32Å; R147-R149 PolarHBondContact O-N 3.29Å; R149-S152 PolarHBondContact NH1-OG 3.04Å; R149-S152 PolarHBondContact O-N 2.97Å; R149-S152 PolarHBondContact O-OG 3.34Å; R149-I153 WeakPolarHBondContact O-CG1 3.42Å; R149-V164 HydrophobicContact CG-CG1 3.76Å; R149-M168 HydrophobicContact CB-CE 3.96Å; R149-M168 HydrophobicContact CB-SD 3.55Å; R149-M168 VanDerWaalsContact CB-SD 3.55Å; R149-M168 HydrophobicContact CG-CE 4.4Å; R149-M168 HydrophobicContact CG-SD 3.57Å; R149-M168 VanDerWaalsContact CG-SD 3.57Å
150L98.5Very high97.7Very high1 Ų165 Ų651%0.00535%0.346CS..Hα-helixtrans-60.5-47177.5-67.5177.8000111I138 I146 R147 E148 S152 I153 L156 A161 V164I138-L150 HydrophobicContact CG1-CB 4.18Å; I138-L150 HydrophobicContact CG1-CD1 3.94Å; I146-L150 HydrophobicContact CG2-CD1 4.08Å; I146-L150 HydrophobicContact CG2-CG 4.12Å; I146-L150 VanDerWaalsContact O-CG 3.29Å; I146-L150 WeakPolarHBondContact O-CG 3.3Å; I146-L150 PolarHBondContact O-N 3.3Å; R147-L150 PolarHBondContact O-N 3.46Å; E148-L150 PolarHBondContact O-N 3.19Å; L150-S152 PolarHBondContact O-N 3.33Å; L150-I153 PolarHBondContact O-N 2.98Å; L150-I153 VanDerWaalsContact O-N 3.13Å; L150-L156 HydrophobicContact CB-CD2 4.02Å; L150-L156 HydrophobicContact CD2-CD1 4.38Å; L150-L156 HydrophobicContact CD2-CD2 4.31Å; L150-A161 HydrophobicContact CD2-CB 3.92Å; L150-V164 HydrophobicContact CD2-CB 4.09Å; L150-V164 HydrophobicContact CD2-CG1 4.03Å
151L98Very high97.8Very high123 Ų12364.9 Ų64.964%0.64435%0.345SS*.Hα-helixtrans-64.2-21.5178.9-69.1172.2000113.6I138 R147 E148 I153I138-L151 HydrophobicContact CG2-CD2 3.84Å; I138-L151 HydrophobicContact CG2-CG 4.05Å; R147-L151 HydrophobicContact CG-CD1 4.11Å; R147-L151 WeakPolarHBondContact O-CG 3.01Å; R147-L151 PolarHBondContact O-N 3.24Å; E148-L151 PolarHBondContact O-N 3.42Å; L151-I153 VanDerWaalsContact C-N 3.35Å
152S97.9Very high97.8Very high68 Ų6867.5 Ų67.548%0.47636%0.356SS..THydrogen-bonded Turntrans-79.3-11.5176.1770000114.8E148 R149 L150 P154E148-S152 PolarHBondContact O-N 2.95Å; E148-S152 VanDerWaalsContact O-N 3.09Å; R149-S152 PolarHBondContact NH1-OG 3.04Å; R149-S152 PolarHBondContact O-N 2.97Å; R149-S152 PolarHBondContact O-OG 3.34Å; L150-S152 PolarHBondContact O-N 3.33Å; S152-P154 WeakPolarHBondContact O-CD 3.28Å
153I97.8Very high97.8Very high35 Ų3566.6 Ų66.618%0.17934%0.344CS..SBendtrans-93.1118-173.8-64.9166.2000109.7R149 L150 L151 L156 V164R149-I153 WeakPolarHBondContact O-CG1 3.42Å; L150-I153 PolarHBondContact O-N 2.98Å; L150-I153 VanDerWaalsContact O-N 3.13Å; L151-I153 VanDerWaalsContact C-N 3.35Å; I153-L156 HydrophobicContact CB-CD1 4.12Å; I153-L156 HydrophobicContact CD1-CD1 4.2Å; I153-L156 HydrophobicContact CG2-CB 4.38Å; I153-L156 HydrophobicContact CG2-CD1 3.94Å; I153-V164 HydrophobicContact CD1-CB 4.45Å; I153-V164 HydrophobicContact CD1-CG1 4.19Å; I153-V164 HydrophobicContact CD1-CG2 3.84Å
154P96.2Very high97.9Very high102 Ų10266.7 Ų66.766%0.66234%0.344SS*.THydrogen-bonded Turntrans-68.3150.1170.729.4-33.9000110.9S152 L156S152-P154 WeakPolarHBondContact O-CD 3.28Å; P154-L156 VanDerWaalsContact C-N 3.27Å; P154-L156 PolarHBondContact O-N 2.88Å
155D95.7Very high97.9Very high140 Ų14061.9 Ų61.975%0.74932%0.321SS*.THydrogen-bonded Turntrans50.247.5179-51.5-45.6000113T157 K160D155-T157 PolarHBondContact O-N 3.08Å; D155-K160 PolarHBondContact O-NZ 2.89Å
156L97.9Very high98Very high16 Ų1663.7 Ų63.78%0.08432%0.32CS..  trans-69.9112.4179.7-175.167.8000110.1R134 I138 L150 I153 P154 K160 A161R134-L156 WeakPolarHBondContact CD-O 3.38Å; R134-L156 HydrophobicContact CG-CD2 4.39Å; R134-L156 PolarHBondContact NH1-O 3.2Å; I138-L156 HydrophobicContact CD1-CD2 3.8Å; I138-L156 HydrophobicContact CG1-CD2 4.48Å; L150-L156 HydrophobicContact CB-CD2 4.02Å; L150-L156 HydrophobicContact CD2-CD1 4.38Å; L150-L156 HydrophobicContact CD2-CD2 4.31Å; I153-L156 HydrophobicContact CB-CD1 4.12Å; I153-L156 HydrophobicContact CD1-CD1 4.2Å; I153-L156 HydrophobicContact CG2-CB 4.38Å; I153-L156 HydrophobicContact CG2-CD1 3.94Å; P154-L156 VanDerWaalsContact C-N 3.27Å; P154-L156 PolarHBondContact O-N 2.88Å; L156-K160 HydrophobicContact CD1-CB 3.93Å; L156-A161 HydrophobicContact CD1-CB 3.9Å; L156-A161 HydrophobicContact CD2-CB 4.04Å; L156-A161 HydrophobicContact CG-CB 4Å
157T98.4Very high97.9Very high61 Ų6171.8 Ų71.837%0.37435%0.35SS..  trans-88.5161.4169.166.80000110.1D155 E159 K160 A161D155-T157 PolarHBondContact O-N 3.08Å; T157-E159 VanDerWaalsContact C-N 3.28Å; T157-E159 PolarHBondContact O-N 3.12Å; T157-K160 PolarHBondContact O-N 2.92Å; T157-K160 WeakPolarHBondContact OG1-CG 3.29Å; T157-K160 PolarHBondContact OG1-N 3.24Å; T157-A161 WeakPolarHBondContact O-CB 3.32Å; T157-A161 PolarHBondContact O-N 3.27Å
158L98.4Very high97.9Very high4 Ų471.8 Ų71.82%0.02135%0.354CS..Hα-helixtrans-57.1-42.4174.5175.856000112.3R117 D130 I133 R134 A161 F162R117-L158 VanDerWaalsContact CZ-CD2 3.47Å; D130-L158 HydrophobicContact CB-CB 4.16Å; D130-L158 HydrophobicContact CB-CD2 4.05Å; D130-L158 VanDerWaalsContact OD1-CD2 3.29Å; D130-L158 WeakPolarHBondContact OD1-CD2 3.13Å; I133-L158 HydrophobicContact CB-CD1 4.22Å; I133-L158 HydrophobicContact CB-CD2 3.8Å; I133-L158 HydrophobicContact CD1-CD2 4.17Å; I133-L158 HydrophobicContact CG2-CD1 3.62Å; I133-L158 HydrophobicContact CG2-CD2 3.72Å; I133-L158 HydrophobicContact CG2-CG 4.35Å; R134-L158 HydrophobicContact CB-CB 4.22Å; R134-L158 HydrophobicContact CB-CD1 4.26Å; L158-A161 PolarHBondContact O-N 3.32Å; L158-F162 WeakPolarHBondContact O-CB 3.33Å; L158-F162 PolarHBondContact O-N 3.25Å
159E98.1Very high97.8Very high136 Ų13667.1 Ų67.164%0.63633%0.332SS*.Hα-helixtrans-59.7-48.2177.3-176.1-179-171.700111.8T157 A161 F162 I163T157-E159 VanDerWaalsContact C-N 3.28Å; T157-E159 PolarHBondContact O-N 3.12Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.11Å; E159-F162 PolarHBondContact O-N 3.05Å; E159-I163 HydrophobicContact CG-CD1 3.99Å; E159-I163 WeakPolarHBondContact O-CG1 3.5Å; E159-I163 PolarHBondContact O-N 3.41Å
160K98.2Very high97.5Very high97 Ų9764.5 Ų64.542%0.42233%0.327SS..Hα-helixtrans-61-44.6176.1-72.9177-171.5172.20111.1D155 L156 T157 F162 I163 V164D155-K160 PolarHBondContact O-NZ 2.89Å; L156-K160 HydrophobicContact CD1-CB 3.93Å; T157-K160 PolarHBondContact O-N 2.92Å; T157-K160 WeakPolarHBondContact OG1-CG 3.29Å; T157-K160 PolarHBondContact OG1-N 3.24Å; K160-F162 VanDerWaalsContact C-N 3.31Å; K160-F162 PolarHBondContact O-N 3.23Å; K160-I163 PolarHBondContact O-N 2.95Å; K160-V164 WeakPolarHBondContact O-CB 3.43Å; K160-V164 VanDerWaalsContact O-CG2 3.28Å; K160-V164 WeakPolarHBondContact O-CG2 3.5Å; K160-V164 PolarHBondContact O-N 3.38Å
161A98.6Very high97.3Very high0 Ų067.1 Ų67.10%035%0.349CS..Hα-helixtrans-60.5-43.2179.700000111.8R134 L137 L150 L156 T157 L158 E159 S165R134-A161 HydrophobicContact CG-CB 4.32Å; L137-A161 HydrophobicContact CD2-CB 3.93Å; L150-A161 HydrophobicContact CD2-CB 3.92Å; L156-A161 HydrophobicContact CD1-CB 3.9Å; L156-A161 HydrophobicContact CD2-CB 4.04Å; L156-A161 HydrophobicContact CG-CB 4Å; T157-A161 WeakPolarHBondContact O-CB 3.32Å; T157-A161 PolarHBondContact O-N 3.27Å; L158-A161 PolarHBondContact O-N 3.32Å; E159-A161 VanDerWaalsContact C-N 3.34Å; E159-A161 PolarHBondContact O-N 3.11Å; A161-S165 VanDerWaalsContact O-CB 3.28Å; A161-S165 WeakPolarHBondContact O-CB 3.49Å; A161-S165 PolarHBondContact O-N 2.89Å; A161-S165 PolarHBondContact O-OG 3.39Å
162F98.3Very high97Very high55 Ų5568.2 Ų68.224%0.24135%0.348CS..Hα-helixtrans-62.3-50.8176.7178.5-118.6000112.2V109 D110 V113 L158 E159 K160 V164 S165 Q166V109-F162 HydrophobicContact CG1-CD2 4.09Å; V109-F162 HydrophobicContact CG1-CE2 4.16Å; D110-F162 HydrophobicContact CB-CE2 4.24Å; D110-F162 HydrophobicContact CB-CZ 4.2Å; V113-F162 HydrophobicContact CB-CD2 4.07Å; V113-F162 HydrophobicContact CB-CE2 4.27Å; V113-F162 HydrophobicContact CG1-CD2 4.21Å; V113-F162 HydrophobicContact CG2-CD2 3.79Å; V113-F162 HydrophobicContact CG2-CE2 4.32Å; L158-F162 WeakPolarHBondContact O-CB 3.33Å; L158-F162 PolarHBondContact O-N 3.25Å; E159-F162 PolarHBondContact O-N 3.05Å; K160-F162 VanDerWaalsContact C-N 3.31Å; K160-F162 PolarHBondContact O-N 3.23Å; F162-V164 PolarHBondContact O-N 3.28Å; F162-S165 PolarHBondContact O-N 3.34Å; F162-Q166 WeakPolarHBondContact O-CB 3.47Å; F162-Q166 PolarHBondContact O-N 2.97Å
163I98.2Very high96.6Very high58 Ų5870.7 Ų70.730%0.29735%0.351SS..Hα-helixtrans-60.8-45.7-179.3-68.9168.7000111.2E159 K160 Q166 R167E159-I163 HydrophobicContact CG-CD1 3.99Å; E159-I163 WeakPolarHBondContact O-CG1 3.5Å; E159-I163 PolarHBondContact O-N 3.41Å; K160-I163 PolarHBondContact O-N 2.95Å; I163-Q166 PolarHBondContact O-N 3.28Å; I163-R167 HydrophobicContact CG2-CG 4.41Å; I163-R167 WeakPolarHBondContact O-CB 3.33Å; I163-R167 VanDerWaalsContact O-CG 3.27Å; I163-R167 WeakPolarHBondContact O-CG 3.47Å; I163-R167 PolarHBondContact O-N 3.11Å
164V98.3Very high96.2Very high32 Ų3272.5 Ų72.519%0.19436%0.36CS..Hα-helixtrans-62.6-46.3179.4170.60000110.7R149 L150 I153 K160 F162 Q166 R167 M168R149-V164 HydrophobicContact CG-CG1 3.76Å; L150-V164 HydrophobicContact CD2-CB 4.09Å; L150-V164 HydrophobicContact CD2-CG1 4.03Å; I153-V164 HydrophobicContact CD1-CB 4.45Å; I153-V164 HydrophobicContact CD1-CG1 4.19Å; I153-V164 HydrophobicContact CD1-CG2 3.84Å; K160-V164 WeakPolarHBondContact O-CB 3.43Å; K160-V164 VanDerWaalsContact O-CG2 3.28Å; K160-V164 WeakPolarHBondContact O-CG2 3.5Å; K160-V164 PolarHBondContact O-N 3.38Å; F162-V164 PolarHBondContact O-N 3.28Å; V164-Q166 PolarHBondContact O-N 2.93Å; V164-R167 PolarHBondContact O-N 3.21Å; V164-M168 HydrophobicContact CG1-CG 4.49Å; V164-M168 HydrophobicContact CG1-SD 4.03Å; V164-M168 VanDerWaalsContact O-CG 3.31Å; V164-M168 WeakPolarHBondContact O-CG 3.34Å; V164-M168 PolarHBondContact O-N 2.88Å
165S98.3Very high95.8Very high0 Ų069.9 Ų69.90%035%0.347CS..Hα-helixtrans-61.1-46.8179.6-58.40000111.9I146 A161 F162 M168 E169I146-S165 WeakPolarHBondContact CG2-OG 3.28Å; A161-S165 VanDerWaalsContact O-CB 3.28Å; A161-S165 WeakPolarHBondContact O-CB 3.49Å; A161-S165 PolarHBondContact O-N 2.89Å; A161-S165 PolarHBondContact O-OG 3.39Å; F162-S165 PolarHBondContact O-N 3.34Å; S165-M168 PolarHBondContact O-N 3.26Å; S165-E169 PolarHBondContact O-N 2.86Å
166Q97.6Very high95.4Very high74 Ų7465.8 Ų65.835%0.34633%0.333SS..Hα-helixtrans-62-45.5177.3-174.6-175.566.500111.8F162 I163 V164 M168 E169 I170F162-Q166 WeakPolarHBondContact O-CB 3.47Å; F162-Q166 PolarHBondContact O-N 2.97Å; I163-Q166 PolarHBondContact O-N 3.28Å; V164-Q166 PolarHBondContact O-N 2.93Å; Q166-M168 VanDerWaalsContact C-N 3.32Å; Q166-M168 PolarHBondContact O-N 3.04Å; Q166-E169 PolarHBondContact O-N 2.83Å; Q166-I170 HydrophobicContact CG-CD1 3.99Å; Q166-I170 WeakPolarHBondContact O-CG1 3.19Å; Q166-I170 PolarHBondContact O-N 3.47Å
167R97.4Very high94.4Very high178 Ų17870.2 Ų70.267%0.67236%0.357SS*.Hα-helixtrans-62.1-39178.5-75.9179.9178-173.61.1112.3I163 V164 A171I163-R167 HydrophobicContact CG2-CG 4.41Å; I163-R167 WeakPolarHBondContact O-CB 3.33Å; I163-R167 VanDerWaalsContact O-CG 3.27Å; I163-R167 WeakPolarHBondContact O-CG 3.47Å; I163-R167 PolarHBondContact O-N 3.11Å; V164-R167 PolarHBondContact O-N 3.21Å; R167-A171 VanDerWaalsContact O-CB 3.24Å; R167-A171 WeakPolarHBondContact O-CB 3.24Å; R167-A171 PolarHBondContact O-N 3.4Å
168M97.8Very high93.1Very high61 Ų6174.6 Ų74.630%0.337%0.371SS..Hα-helixtrans-69.4-37.4176.6-70.9-176.272.500112.2G145 I146 R149 V164 S165 Q166 A171 K172G145-M168 VanDerWaalsContact O-CE 3.32Å; G145-M168 WeakPolarHBondContact O-CE 3.41Å; I146-M168 HydrophobicContact CB-SD 4.33Å; I146-M168 HydrophobicContact CD1-CB 4.1Å; I146-M168 HydrophobicContact CG1-CB 3.81Å; I146-M168 HydrophobicContact CG1-CE 4.02Å; I146-M168 HydrophobicContact CG1-SD 4.04Å; I146-M168 HydrophobicContact CG2-SD 4.26Å; R149-M168 HydrophobicContact CB-CE 3.96Å; R149-M168 HydrophobicContact CB-SD 3.55Å; R149-M168 VanDerWaalsContact CB-SD 3.55Å; R149-M168 HydrophobicContact CG-CE 4.4Å; R149-M168 HydrophobicContact CG-SD 3.57Å; R149-M168 VanDerWaalsContact CG-SD 3.57Å; V164-M168 HydrophobicContact CG1-CG 4.49Å; V164-M168 HydrophobicContact CG1-SD 4.03Å; V164-M168 VanDerWaalsContact O-CG 3.31Å; V164-M168 WeakPolarHBondContact O-CG 3.34Å; V164-M168 PolarHBondContact O-N 2.88Å; S165-M168 PolarHBondContact O-N 3.26Å; Q166-M168 VanDerWaalsContact C-N 3.32Å; Q166-M168 PolarHBondContact O-N 3.04Å; M168-A171 PolarHBondContact O-N 2.98Å; M168-K172 WeakPolarHBondContact O-CB 3.27Å; M168-K172 PolarHBondContact O-N 3.4Å
169E95.1Very high91.3Very high36 Ų3678.1 Ų78.117%0.16840%0.395CS..Hα-helixtrans-62.5-46.6174-167.5-169.1103.300111.5P108 V109 S165 Q166 K172 K173P108-E169 WeakPolarHBondContact CA-OE2 3.24Å; V109-E169 WeakPolarHBondContact CG2-OE2 3.5Å; V109-E169 PolarHBondContact N-OE2 3.2Å; S165-E169 PolarHBondContact O-N 2.86Å; Q166-E169 PolarHBondContact O-N 2.83Å; E169-K172 PolarHBondContact O-N 2.98Å; E169-K173 WeakPolarHBondContact O-CG 3.43Å; E169-K173 PolarHBondContact O-N 3.21Å; E169-K173 IonicContact OE1-NZ 2.8Å; E169-K173 PolarHBondContact OE1-NZ 3.13Å
170I93.6Very high89.2Confident77 Ų7776.3 Ų76.340%0.39539%0.394SS..Hα-helixtrans-61.6-49.6175.4-66.4167000110.3Q166 K172 K173 D174Q166-I170 HydrophobicContact CG-CD1 3.99Å; Q166-I170 WeakPolarHBondContact O-CG1 3.19Å; Q166-I170 PolarHBondContact O-N 3.47Å; I170-K172 VanDerWaalsContact C-N 3.25Å; I170-K172 PolarHBondContact O-N 3.46Å; I170-K173 WeakPolarHBondContact O-CB 3.23Å; I170-K173 PolarHBondContact O-N 3.03Å; I170-D174 WeakPolarHBondContact CG2-OD2 3.43Å; I170-D174 PolarHBondContact O-N 3.48Å
171A93.5Very high86.7Confident56 Ų5680 Ų8046%0.46341%0.413SS..Hα-helixtrans-60-35.2179.500000112.6R167 M168 A175R167-A171 VanDerWaalsContact O-CB 3.24Å; R167-A171 WeakPolarHBondContact O-CB 3.24Å; R167-A171 PolarHBondContact O-N 3.4Å; M168-A171 PolarHBondContact O-N 2.98Å; A171-A175 WeakPolarHBondContact O-CB 3.31Å; A171-A175 PolarHBondContact O-N 2.87Å
172K92.6Very high84Confident147 Ų14782.1 Ų82.164%0.63944%0.435SS*.Hα-helixtrans-67.6-42.5174.4-173.9-179.4179-175.50111.7M168 E169 I170 A176M168-K172 WeakPolarHBondContact O-CB 3.27Å; M168-K172 PolarHBondContact O-N 3.4Å; E169-K172 PolarHBondContact O-N 2.98Å; I170-K172 VanDerWaalsContact C-N 3.25Å; I170-K172 PolarHBondContact O-N 3.46Å; K172-A176 PolarHBondContact O-N 3.32Å; K172-A176 VanDerWaalsContact O-N 3.14Å
173K89.2Confident81.1Confident120 Ų12085 Ų8552%0.52245%0.452SS..Hα-helixtrans-62.1-47.6174.3-73.5170.3175.1166.90110.8E169 I170 A176 L177E169-K173 WeakPolarHBondContact O-CG 3.43Å; E169-K173 PolarHBondContact O-N 3.21Å; E169-K173 IonicContact OE1-NZ 2.8Å; E169-K173 PolarHBondContact OE1-NZ 3.13Å; I170-K173 WeakPolarHBondContact O-CB 3.23Å; I170-K173 PolarHBondContact O-N 3.03Å; K173-A176 WeakPolarHBondContact O-CB 3.33Å; K173-A176 PolarHBondContact O-N 3.36Å; K173-L177 PolarHBondContact O-N 2.76Å
174D89.2Confident78.1Confident72 Ų7286.5 Ų86.539%0.38546%0.464SS..Hα-helixtrans-65.1-42.3178.3-67.5-14.4000112I170 A176 L177 F178I170-D174 WeakPolarHBondContact CG2-OD2 3.43Å; I170-D174 PolarHBondContact O-N 3.48Å; D174-A176 PolarHBondContact O-N 3.19Å; D174-L177 WeakPolarHBondContact O-CA 3.36Å; D174-L177 VanDerWaalsContact O-CB 3.29Å; D174-L177 WeakPolarHBondContact O-CB 3.32Å; D174-L177 PolarHBondContact O-N 3.25Å; D174-F178 HydrophobicContact CB-CE2 4.25Å; D174-F178 WeakPolarHBondContact O-CD2 3.32Å; D174-F178 PolarHBondContact O-N 2.99Å
175A88.2Confident75.2Confident47 Ų4788.7 Ų88.739%0.38849%0.485SS..Hα-helixtrans-60.6-31.8175.500000112.4A171 F178 S179A171-A175 WeakPolarHBondContact O-CB 3.31Å; A171-A175 PolarHBondContact O-N 2.87Å; A175-F178 PolarHBondContact O-N 2.86Å; A175-S179 VanDerWaalsContact O-CB 3.24Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 3.4Å; A175-S179 PolarHBondContact O-OG 3.26Å
176A86.3Confident72Confident55 Ų5593.1 Ų93.146%0.45552%0.522SS..Hα-helixtrans-68.4-33.7172.600000112.1K172 K173 D174 T180K172-A176 PolarHBondContact O-N 3.32Å; K172-A176 VanDerWaalsContact O-N 3.14Å; K173-A176 WeakPolarHBondContact O-CB 3.33Å; K173-A176 PolarHBondContact O-N 3.36Å; D174-A176 PolarHBondContact O-N 3.19Å; A176-T180 WeakPolarHBondContact O-CB 3.35Å; A176-T180 WeakPolarHBondContact O-CG2 3.4Å; A176-T180 PolarHBondContact O-N 3.24Å; A176-T180 VanDerWaalsContact O-N 3.09Å; A176-T180 PolarHBondContact O-OG1 3.19Å
177L77.9Confident69.3Low109 Ų10996.3 Ų96.357%0.57154%0.54SS*.Hα-helixtrans-67.5-39.6172.5-60.7174000112.1K173 D174 T180K173-L177 PolarHBondContact O-N 2.76Å; D174-L177 WeakPolarHBondContact O-CA 3.36Å; D174-L177 VanDerWaalsContact O-CB 3.29Å; D174-L177 WeakPolarHBondContact O-CB 3.32Å; D174-L177 PolarHBondContact O-N 3.25Å; L177-T180 WeakPolarHBondContact CA-OG1 3.22Å; L177-T180 PolarHBondContact O-OG1 3.32Å
178F69.5Low66.5Low152 Ų15296.6 Ų96.667%0.66755%0.549SS*.Hα-helixtrans-72.5-38.3175.4-64.9-65.9000112.4D174 A175 T180 Q181D174-F178 HydrophobicContact CB-CE2 4.25Å; D174-F178 WeakPolarHBondContact O-CD2 3.32Å; D174-F178 PolarHBondContact O-N 2.99Å; A175-F178 PolarHBondContact O-N 2.86Å; F178-T180 PolarHBondContact O-N 2.95Å; F178-Q181 PolarHBondContact O-N 3.43Å; F178-Q181 VanDerWaalsContact O-N 3.12Å
179S61.3Low63.6Low78 Ų7898.8 Ų98.855%0.54557%0.57SS.*Hα-helixtrans-68-25.8179.1-62.90000112.4A175 Q181 G182A175-S179 VanDerWaalsContact O-CB 3.24Å; A175-S179 WeakPolarHBondContact O-CB 3.44Å; A175-S179 PolarHBondContact O-N 3.4Å; A175-S179 PolarHBondContact O-OG 3.26Å; S179-Q181 VanDerWaalsContact C-N 3.29Å; S179-G182 PolarHBondContact O-N 3.19Å
180T53.2Low60.7Low98 Ų98102.9 Ų102.960%0.60160%0.598SS**Hα-helixtrans-76.4-14.2174.839.60000113.3A176 L177 F178A176-T180 WeakPolarHBondContact O-CB 3.35Å; A176-T180 WeakPolarHBondContact O-CG2 3.4Å; A176-T180 PolarHBondContact O-N 3.24Å; A176-T180 VanDerWaalsContact O-N 3.09Å; A176-T180 PolarHBondContact O-OG1 3.19Å; L177-T180 WeakPolarHBondContact CA-OG1 3.22Å; L177-T180 PolarHBondContact O-OG1 3.32Å; F178-T180 PolarHBondContact O-N 2.95Å
181Q47.3Very low58.1Low175 Ų175108.4 Ų108.482%0.81862%0.622SS**THydrogen-bonded Turntrans-91.71171.5-67-175.65.900114.2F178 S179F178-Q181 PolarHBondContact O-N 3.43Å; F178-Q181 VanDerWaalsContact O-N 3.12Å; S179-Q181 VanDerWaalsContact C-N 3.29Å
182G41.2Very low55.5Low45 Ų45109 Ų10946%0.46463%0.633SS.*  trans-15260-174.400000114.6S179 T184S179-G182 PolarHBondContact O-N 3.19Å; G182-T184 PolarHBondContact O-N 3.49Å
183L37.6Very low52.8Low115 Ų115108.8 Ų108.860%0.60264%0.644SS**  trans-7760.1174.1-84.9150.2000112.8
184T34.7Very low50.4Low89 Ų89107.5 Ų107.555%0.54665%0.651SS.*  trans-143.371.1158.854.50000111.6G182G182-T184 PolarHBondContact O-N 3.49Å
185A37.9Very low48.1Very low78 Ų78112.2 Ų112.265%0.64568%0.675SS**  trans-166.980.9151.400000109.9I187A185-I187 VanDerWaalsContact C-N 3.27Å; A185-I187 HydrophobicContact CB-CG1 4.44Å; A185-I187 PolarHBondContact O-N 2.95Å
186A31.5Very low45.9Very low93 Ų93114.2 Ų114.277%0.76969%0.692SS**  trans-66.796.8155.500000106.8
187I39.3Very low43.7Very low142 Ų142116.4 Ų116.473%0.72870%0.704SS**  trans-106.291.3160.3-60.8174.9000104.5A185 S189A185-I187 VanDerWaalsContact C-N 3.27Å; A185-I187 HydrophobicContact CB-CG1 4.44Å; A185-I187 PolarHBondContact O-N 2.95Å; I187-S189 PolarHBondContact O-N 2.84Å
188Q38.6Very low42Very low184 Ų184121.3 Ų121.386%0.8672%0.721SS**  trans-75.7106.8157.4-80.4178.3-9.500106.1T190Q188-T190 PolarHBondContact O-N 3.44Å
189S38.5Very low40.5Very low107 Ų107125.3 Ų125.375%0.74873%0.731SS**  trans-60.6121163-42.80000108I187I187-S189 PolarHBondContact O-N 2.84Å
190T33.9Very low39.6Very low122 Ų122127.4 Ų127.475%0.74874%0.743SS**  trans-64.8132.6166.444.10000110Q188Q188-T190 PolarHBondContact O-N 3.44Å
191E39.6Very low38.9Very low193 Ų193128.9 Ų128.990%0.90275%0.752SS**  171.8138.7124.3-92.6172.9-163.900111.2
192G36.9Very low38.9Very low67 Ų67126.6 Ų126.669%0.69175%0.75SS**  trans113.473.6160.400000117.5
193T36Very low39.1Very low143 Ų143131.6 Ų131.688%0.87777%0.766SS**  23118.9129.9-7.50000116.3
194S39.9Very low39Very low94 Ų94135.8 Ų135.866%0.65778%0.78SS**  176.6146.364.963.60000112.4
195L41.4Very low39.5Very low170 Ų170139 Ų13989%0.8979%0.793SS**  trans67.5129.7139.3-69.2157.3000122
196A40.4Very low40Very low90 Ų90140.4 Ų140.474%0.74480%0.795SS**  trans9582.9147.900000118.8
197S40.6Very low41.1Very low101 Ų101141.5 Ų141.571%0.70679%0.794SS**  59.1103.1116.4-177.30000118.5
198F42.1Very low42Very low211 Ų211139.6 Ų139.693%0.92579%0.789SS**  trans-155.2119130.8-90.3-74000109.7
199R38.8Very low43.4Very low236 Ų236139.6 Ų139.689%0.89178%0.781SS**  trans-79.5154.7174.9-70.3176.1175.5177.2-1.2110.5
200P41.7Very low45.7Very low122 Ų122141.5 Ų141.579%0.79277%0.772SS**  trans-121.4135.113820-2000111.6
201T39.2Very low48.5Very low130 Ų130135.8 Ų135.880%0.79874%0.737SS**  trans-75.3120172.144.10000110.6
202V46.4Very low50.9Low126 Ų126133.8 Ų133.876%0.76473%0.726SS**  trans-147111154-171.90000109.8
203D45.5Very low53.6Low150 Ų150134.7 Ų134.780%0.80271%0.708SS**  trans49.8115.6149.2-58.7-37.3000124.1L205D203-L205 PolarHBondContact O-N 2.85Å
204K36.7Very low56.3Low204 Ų204127.9 Ų127.989%0.88767%0.667SS**  trans-40.9110.9162.3-62.8171.3177.4178.70114.8
205L44.2Very low58.7Low157 Ų157124.2 Ų124.282%0.82264%0.644SS**  trans-126.7142.4135.2-95.993.1000108.4D203D203-L205 PolarHBondContact O-N 2.85Å
206P49.9Very low61.1Low106 Ų106122.6 Ų122.669%0.68863%0.625SS**  trans-58.8140.2177.425.1-31.8000109.4T208P206-T208 PolarHBondContact O-N 3.07Å
207P53.6Low63.4Low117 Ų117124.2 Ų124.276%0.7662%0.622SS**  trans-69.995-173.529-32.8000108.6R209P207-R209 PolarHBondContact O-N 2.98Å
208T58.5Low65.7Low102 Ų102123.8 Ų123.863%0.62662%0.619SS**  trans-57.4113.8161.859.20000105.6P206 R210P206-T208 PolarHBondContact O-N 3.07Å; T208-R210 PolarHBondContact O-N 2.93Å
209R68.2Low68Low183 Ų183115.3 Ų115.369%0.69158%0.582SS**  trans-70.853.9-176.3-71-171.6177.5-165.51.3111.5P207 L220P207-R209 PolarHBondContact O-N 2.98Å; R209-L220 HydrophobicContact CB-CD2 3.88Å; R209-L220 HydrophobicContact CG-CD2 4.17Å
210R86.4Confident70.4Confident148 Ų148107.8 Ų107.856%0.55856%0.559SS**  trans-78.7133.8175-65.2-174.8-176.4-169.72.6109.3T208 F212 R216 D217T208-R210 PolarHBondContact O-N 2.93Å; R210-F212 PolarHBondContact O-N 3.48Å; R210-R216 CarbonylContact C-O 3.54Å; R210-R216 WeakPolarHBondContact CA-O 3.4Å; R210-D217 HydrophobicContact CG-CB 4.3Å
211C91.8Very high72.6Confident1 Ų1103.2 Ų103.21%0.00753%0.531CS..  trans-59.4119.5173.3177.30000110.6R213 C214 G215 R216 H219 C226C211-R213 PolarHBondContact O-N 3.49Å; C211-R213 VanDerWaalsContact O-N 3.11Å; C211-R213 PolarHBondContact SG-N 3.44Å; C211-R213 VanDerWaalsContact SG-N 3.44Å; C211-C214 PolarHBondContact O-N 3.42Å; C211-C214 PolarHBondContact SG-N 3.11Å; C211-C214 VanDerWaalsContact SG-N 3.45Å; C211-C214 VanDerWaalsContact SG-SG 3.66Å; C211-G215 VanDerWaalsContact O-CA 3.28Å; C211-G215 WeakPolarHBondContact O-CA 3.39Å; C211-G215 PolarHBondContact O-N 3.17Å; C211-R216 WeakPolarHBondContact CB-O 3.29Å; C211-R216 PolarHBondContact N-O 3.13Å; C211-H219 WeakPolarHBondContact CB-O 3.24Å; C211-H219 PolarHBondContact N-O 2.87Å; C211-H219 PolarHBondContact SG-NE2 3.16Å; C211-C226 PolarHBondContact SG-SG 2.94Å
212F91.1Very high74.8Confident151 Ų151103 Ų10366%0.66253%0.53SS*.THydrogen-bonded Turntrans-65.2-13.1176.7-63.6-71.8000114.6R210 A221 V245R210-F212 PolarHBondContact O-N 3.48Å; F212-A221 HydrophobicContact CB-CB 4.14Å; F212-A221 HydrophobicContact CD2-CB 4.24Å; F212-V245 WeakPolarHBondContact O-CG2 3.44Å
213R92.2Very high76.8Confident87 Ų8798.2 Ų98.233%0.32850%0.504SS..THydrogen-bonded Turntrans-88.3-50.1176.1-58.9-179.9175.4-106.82.3111.4C211 A221 A228 G240 H241 F242 V245C211-R213 PolarHBondContact O-N 3.49Å; C211-R213 VanDerWaalsContact O-N 3.11Å; C211-R213 PolarHBondContact SG-N 3.44Å; C211-R213 VanDerWaalsContact SG-N 3.44Å; R213-A221 WeakPolarHBondContact CD-O 3.49Å; R213-A221 HydrophobicContact CG-CB 4.15Å; R213-A221 PolarHBondContact NE-O 3.48Å; R213-A228 VanDerWaalsContact C-CB 3.47Å; R213-A228 HydrophobicContact CB-CB 3.81Å; R213-A228 VanDerWaalsContact O-CB 3.3Å; R213-A228 WeakPolarHBondContact O-CB 3.45Å; R213-G240 VanDerWaalsContact CB-O 3.24Å; R213-G240 WeakPolarHBondContact CB-O 3.5Å; R213-G240 VanDerWaalsContact CG-O 3.26Å; R213-G240 WeakPolarHBondContact CG-O 3.22Å; R213-H241 CarbonylContact O-C 3.04Å; R213-H241 WeakPolarHBondContact O-CA 3.46Å; R213-H241 WeakPolarHBondContact O-CB 3.5Å; R213-F242 PolarHBondContact O-N 3.38Å; R213-V245 WeakPolarHBondContact O-CG2 3.24Å
214C93.7Very high78.7Confident0 Ų095.4 Ų95.40%049%0.494CS..THydrogen-bonded Turntrans-111.7-11.7-172.177.10000115.1C211 R216 H219 P227 A228 F242 Q244C211-C214 PolarHBondContact O-N 3.42Å; C211-C214 PolarHBondContact SG-N 3.11Å; C211-C214 VanDerWaalsContact SG-N 3.45Å; C211-C214 VanDerWaalsContact SG-SG 3.66Å; C214-R216 VanDerWaalsContact C-N 3.3Å; C214-R216 PolarHBondContact O-N 3.09Å; C214-R216 VanDerWaalsContact SG-CB 3.59Å; C214-R216 PolarHBondContact SG-N 3.35Å; C214-R216 VanDerWaalsContact SG-N 3.42Å; C214-H219 PolarHBondContact SG-CE1 3.22Å; C214-H219 PolarHBondContact SG-NE2 2.8Å; C214-P227 HydrophobicContact CB-CG 4.19Å; C214-A228 HydrophobicContact CB-CB 3.55Å; C214-F242 HydrophobicContact CB-CD2 3.67Å; C214-F242 HydrophobicContact CB-CE2 3.66Å; C214-Q244 PolarHBondContact O-NE2 3.24Å
215G90.8Very high81.2Confident17 Ų1792.8 Ų92.818%0.17549%0.49CS..  trans81.5-8.7-177.500000116.2C211C211-G215 VanDerWaalsContact O-CA 3.28Å; C211-G215 WeakPolarHBondContact O-CA 3.39Å; C211-G215 PolarHBondContact O-N 3.17Å
216R91.2Very high83.5Confident135 Ų13585.6 Ų85.651%0.50945%0.453SS..  trans-73.1147.9177.7-60.5-179.9-175.4-178.40111.5R210 C211 C214R210-R216 CarbonylContact C-O 3.54Å; R210-R216 WeakPolarHBondContact CA-O 3.4Å; C211-R216 WeakPolarHBondContact CB-O 3.29Å; C211-R216 PolarHBondContact N-O 3.13Å; C214-R216 VanDerWaalsContact C-N 3.3Å; C214-R216 PolarHBondContact O-N 3.09Å; C214-R216 VanDerWaalsContact SG-CB 3.59Å; C214-R216 PolarHBondContact SG-N 3.35Å; C214-R216 VanDerWaalsContact SG-N 3.42Å
217D89.7Confident85.5Confident124 Ų12483.4 Ų83.466%0.66344%0.438SS*.SBendtrans-87.8-8.9176.151.52.1000114.2R210 H219R210-D217 HydrophobicContact CG-CB 4.3Å; D217-H219 PolarHBondContact O-N 3.25Å
218S88.3Confident87.4Confident92 Ų9277.8 Ų77.864%0.64340%0.402SS*.SBendtrans-70.9-11.5-179.165.60000115.5
219H90Very high88.8Confident33 Ų3376.8 Ų76.815%0.15339%0.389CS..SBendtrans-160.9163.1-177.361.7-76.2000111.9C211 C214 D217 A223 C226C211-H219 WeakPolarHBondContact CB-O 3.24Å; C211-H219 PolarHBondContact N-O 2.87Å; C211-H219 PolarHBondContact SG-NE2 3.16Å; C214-H219 PolarHBondContact SG-CE1 3.22Å; C214-H219 PolarHBondContact SG-NE2 2.8Å; D217-H219 PolarHBondContact O-N 3.25Å; H219-A223 HydrophobicContact CB-CB 3.76Å; H219-C226 PolarHBondContact NE2-SG 3.38Å
220L89.7Confident90Very high78 Ų7875 Ų7541%0.40839%0.388SS..  trans-88162.2170.9-63.7176.3000111.5R209 T222 A223R209-L220 HydrophobicContact CB-CD2 3.88Å; R209-L220 HydrophobicContact CG-CD2 4.17Å; L220-T222 PolarHBondContact O-N 3.44Å; L220-A223 WeakPolarHBondContact O-CB 3.32Å; L220-A223 PolarHBondContact O-N 3.13Å
221A86.6Confident90.2Very high26 Ų2669.1 Ų69.122%0.21537%0.371CS..THydrogen-bonded Turntrans-59.7-14.3179.900000114.9F212 R213F212-A221 HydrophobicContact CB-CB 4.14Å; F212-A221 HydrophobicContact CD2-CB 4.24Å; R213-A221 WeakPolarHBondContact CD-O 3.49Å; R213-A221 HydrophobicContact CG-CB 4.15Å; R213-A221 PolarHBondContact NE-O 3.48Å
222T86.4Confident90.3Very high125 Ų12576.6 Ų76.677%0.76740%0.399SS*.THydrogen-bonded Turntrans-86.6-12.2176.6480000113.6L220L220-T222 PolarHBondContact O-N 3.44Å
223A87.2Confident90.4Very high27 Ų2769.4 Ų69.422%0.22337%0.367CS..  trans-63.3131.7-178.700000111H219 L220 N225 C226H219-A223 HydrophobicContact CB-CB 3.76Å; L220-A223 WeakPolarHBondContact O-CB 3.32Å; L220-A223 PolarHBondContact O-N 3.13Å; A223-N225 PolarHBondContact O-N 3.27Å; A223-C226 PolarHBondContact O-N 3.24Å
224P86.2Confident90.3Very high91 Ų9176.6 Ų76.659%0.59140%0.395SS*.THydrogen-bonded Turntrans-62.3-29.5-175.223.4-32.9000112.4C226 K229P224-C226 PolarHBondContact O-N 3.35Å; P224-K229 WeakPolarHBondContact O-CD 3.25Å
225N88.8Confident90Very high149 Ų14981.4 Ų81.480%0.79742%0.415SS*.THydrogen-bonded Turntrans-95.520.6-173.3-56.7-12.2000113A223 P227A223-N225 PolarHBondContact O-N 3.27Å; N225-P227 WeakPolarHBondContact O-CD 3.41Å
226C92.1Very high89.9Confident6 Ų681.5 Ų81.54%0.04141%0.413CS..  trans-65.8123.1176.8-179.40000110.3C211 H219 A223 P224 A228 K229C211-C226 PolarHBondContact SG-SG 2.94Å; H219-C226 PolarHBondContact NE2-SG 3.38Å; A223-C226 PolarHBondContact O-N 3.24Å; P224-C226 PolarHBondContact O-N 3.35Å; C226-A228 PolarHBondContact O-N 3.06Å; C226-A228 VanDerWaalsContact O-N 3.11Å; C226-K229 HydrophobicContact CB-CB 4.3Å; C226-K229 WeakPolarHBondContact O-CB 3.37Å; C226-K229 PolarHBondContact O-N 2.97Å
227P92.7Very high89.7Confident59 Ų5979.9 Ų79.938%0.38341%0.414SS..THydrogen-bonded Turntrans-65.1-20.6-178.227.5-36.2000112.8C214 N225 F242C214-P227 HydrophobicContact CB-CG 4.19Å; N225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-F242 HydrophobicContact CB-CZ 4.1Å; P227-F242 HydrophobicContact CG-CE2 4.19Å; P227-F242 HydrophobicContact CG-CZ 4.25Å
228A93Very high89.6Confident0 Ų078.1 Ų78.10%040%0.401CS..THydrogen-bonded Turntrans-87.7-4.8176.700000113.7R213 C214 C226 H230 A231 G240 H241 F242R213-A228 VanDerWaalsContact C-CB 3.47Å; R213-A228 HydrophobicContact CB-CB 3.81Å; R213-A228 VanDerWaalsContact O-CB 3.3Å; R213-A228 WeakPolarHBondContact O-CB 3.45Å; C214-A228 HydrophobicContact CB-CB 3.55Å; C226-A228 PolarHBondContact O-N 3.06Å; C226-A228 VanDerWaalsContact O-N 3.11Å; A228-H230 VanDerWaalsContact C-N 3.25Å; A228-H230 PolarHBondContact O-N 3.15Å; A228-A231 PolarHBondContact O-N 3.18Å; A228-G240 CarbonylContact O-C 3.42Å; A228-G240 WeakPolarHBondContact O-CA 3.44Å; A228-H241 PolarHBondContact O-N 2.95Å; A228-F242 HydrophobicContact CB-CD1 3.9Å; A228-F242 HydrophobicContact CB-CD2 4.08Å; A228-F242 HydrophobicContact CB-CE1 3.88Å; A228-F242 HydrophobicContact CB-CE2 4.05Å; A228-F242 HydrophobicContact CB-CG 4.01Å; A228-F242 HydrophobicContact CB-CZ 3.94Å
229K89.6Confident89.8Confident80 Ų8079 Ų7935%0.34840%0.398SS..SBendtrans-55.1-39.7-174.6-172.6-179.6175.3-174.80112.9P224 C226P224-K229 WeakPolarHBondContact O-CD 3.25Å; C226-K229 HydrophobicContact CB-CB 4.3Å; C226-K229 WeakPolarHBondContact O-CB 3.37Å; C226-K229 PolarHBondContact O-N 2.97Å
230H91.4Very high89.9Confident147 Ų14778 Ų7868%0.68140%0.397SS*.SBendtrans-121.310.3179.1-58-70.4000112.9A228A228-H230 VanDerWaalsContact C-N 3.25Å; A228-H230 PolarHBondContact O-N 3.15Å
231A91.4Very high90.2Very high23 Ų2375.8 Ų75.819%0.1938%0.384CS..PPolyproline II helixtrans-79.6144.5179.700000111.6A228 L239 G240 F242A228-A231 PolarHBondContact O-N 3.18Å; A231-L239 CarbonylContact O-C 3.08Å; A231-L239 WeakPolarHBondContact O-CA 3.24Å; A231-G240 PolarHBondContact O-N 3.35Å; A231-F242 HydrophobicContact CB-CD1 3.96Å; A231-F242 HydrophobicContact CB-CE1 3.43Å; A231-F242 VanDerWaalsContact CB-CE1 3.43Å; A231-F242 HydrophobicContact CB-CZ 4.46Å
232R93.4Very high90.6Very high159 Ų15977.2 Ų77.260%0.639%0.386SS*.BIsolated β-bridgetrans-82.9125.6171.9-170.6179.1-64-86.37.3110.5R234 D237 L239R232-R234 PolarHBondContact O-N 3.41Å; R232-D237 WeakPolarHBondContact CG-O 3.43Å; R232-D237 PolarHBondContact NH1-O 3.35Å; R232-L239 HydrophobicContact CB-CD2 3.97Å; R232-L239 HydrophobicContact CG-CD2 4.49Å
233C93Very high90.8Very high0 Ų073.3 Ų73.30%037%0.366CS..PPolyproline II helixtrans-69.7123.1177.2177.50000111.1K235 D237 K238 H241 C246C233-K235 PolarHBondContact O-N 3.49Å; C233-K235 VanDerWaalsContact O-N 3.08Å; C233-K235 PolarHBondContact SG-N 3.05Å; C233-K235 VanDerWaalsContact SG-N 3.38Å; C233-D237 VanDerWaalsContact O-CA 3.25Å; C233-D237 WeakPolarHBondContact O-CA 3.47Å; C233-D237 PolarHBondContact O-N 3.28Å; C233-K238 VanDerWaalsContact CB-O 3.28Å; C233-K238 WeakPolarHBondContact CB-O 3.2Å; C233-K238 PolarHBondContact N-O 2.85Å; C233-H241 WeakPolarHBondContact CA-O 3.28Å; C233-H241 WeakPolarHBondContact CB-NE2 3.26Å; C233-H241 WeakPolarHBondContact CB-O 3.29Å; C233-H241 PolarHBondContact SG-NE2 2.81Å; C233-C246 VanDerWaalsContact SG-SG 3.68Å
234R91.5Very high91Very high238 Ų23878.9 Ų78.990%0.89839%0.387SS*.THydrogen-bonded Turntrans-68.6-2.3177.4-60.2-176.9-177168.2-0.8115.2R232 A243R232-R234 PolarHBondContact O-N 3.41Å; R234-A243 HydrophobicContact CB-CB 4.32Å
235K87Confident91.3Very high100 Ų10076.6 Ų76.644%0.43537%0.372SS..THydrogen-bonded Turntrans-105.8-30.9-179.2-173.4-179.6173-165.80113.5C233 A243 C246 S248C233-K235 PolarHBondContact O-N 3.49Å; C233-K235 VanDerWaalsContact O-N 3.08Å; C233-K235 PolarHBondContact SG-N 3.05Å; C233-K235 VanDerWaalsContact SG-N 3.38Å; K235-A243 HydrophobicContact CB-CB 4.08Å; K235-C246 HydrophobicContact CB-CB 4.11Å; K235-C246 HydrophobicContact CD-CB 3.89Å; K235-C246 HydrophobicContact CG-CB 4.47Å; K235-C246 PolarHBondContact NZ-O 3.45Å; K235-S248 WeakPolarHBondContact CE-O 3.47Å; K235-S248 PolarHBondContact NZ-O 3.36Å; K235-S248 VanDerWaalsContact NZ-O 3.13Å
236C89.1Confident91.5Very high19 Ų1970 Ų7013%0.12834%0.337CS..THydrogen-bonded Turntrans-136.95.2-176.9720000114.4K238 H241 S248C236-K238 PolarHBondContact O-N 3.37Å; C236-H241 PolarHBondContact SG-CE1 2.94Å; C236-H241 PolarHBondContact SG-NE2 2.85Å; C236-H241 VanDerWaalsContact SG-NE2 3.42Å; C236-S248 WeakPolarHBondContact CB-OG 3.08Å
237D87.6Confident91.3Very high101 Ų10180 Ų8054%0.5437%0.374SS..  trans58.84.3178.3-59.7-50.6000117R232 C233R232-D237 WeakPolarHBondContact CG-O 3.43Å; R232-D237 PolarHBondContact NH1-O 3.35Å; C233-D237 VanDerWaalsContact O-CA 3.25Å; C233-D237 WeakPolarHBondContact O-CA 3.47Å; C233-D237 PolarHBondContact O-N 3.28Å
238K87.3Confident91Very high88 Ų8878.9 Ų78.938%0.38337%0.368SS..  trans-76.9148.7171.8-61179.2-176.6-177.70111.3C233 C236C233-K238 VanDerWaalsContact CB-O 3.28Å; C233-K238 WeakPolarHBondContact CB-O 3.2Å; C233-K238 PolarHBondContact N-O 2.85Å; C236-K238 PolarHBondContact O-N 3.37Å
239L92.5Very high90Very high109 Ų10985.1 Ų85.157%0.57141%0.405SS*.BIsolated β-bridgetrans-78.3161.2177-63.3177000112.1A231 R232A231-L239 CarbonylContact O-C 3.08Å; A231-L239 WeakPolarHBondContact O-CA 3.24Å; R232-L239 HydrophobicContact CB-CD2 3.97Å; R232-L239 HydrophobicContact CG-CD2 4.49Å
240G92Very high88.5Confident13 Ų1390 Ų9013%0.13443%0.427CS..SBendtrans94.43165.700000115.3R213 A228 A231R213-G240 VanDerWaalsContact CB-O 3.24Å; R213-G240 WeakPolarHBondContact CB-O 3.5Å; R213-G240 VanDerWaalsContact CG-O 3.26Å; R213-G240 WeakPolarHBondContact CG-O 3.22Å; A228-G240 CarbonylContact O-C 3.42Å; A228-G240 WeakPolarHBondContact O-CA 3.44Å; A231-G240 PolarHBondContact O-N 3.35Å
241H95.2Very high86.8Confident31 Ų3192 Ų9214%0.14443%0.428CS..SBendtrans-154.9162.2174.869.7-72.2000113.4R213 A228 C233 C236 V245 C246R213-H241 CarbonylContact O-C 3.04Å; R213-H241 WeakPolarHBondContact O-CA 3.46Å; R213-H241 WeakPolarHBondContact O-CB 3.5Å; A228-H241 PolarHBondContact O-N 2.95Å; C233-H241 WeakPolarHBondContact CA-O 3.28Å; C233-H241 WeakPolarHBondContact CB-NE2 3.26Å; C233-H241 WeakPolarHBondContact CB-O 3.29Å; C233-H241 PolarHBondContact SG-NE2 2.81Å; C236-H241 PolarHBondContact SG-CE1 2.94Å; C236-H241 PolarHBondContact SG-NE2 2.85Å; C236-H241 VanDerWaalsContact SG-NE2 3.42Å; H241-V245 HydrophobicContact CB-CG2 4.03Å; H241-C246 PolarHBondContact NE2-SG 3.46Å; H241-C246 VanDerWaalsContact NE2-SG 3.36Å
242F95Very high84.9Confident57 Ų5796 Ų9625%0.2546%0.455CS..  trans-93.4157.9171.9-67.6-29.3000112.6R213 C214 P227 A228 A231 Q244 V245 C246R213-F242 PolarHBondContact O-N 3.38Å; C214-F242 HydrophobicContact CB-CD2 3.67Å; C214-F242 HydrophobicContact CB-CE2 3.66Å; P227-F242 HydrophobicContact CB-CZ 4.1Å; P227-F242 HydrophobicContact CG-CE2 4.19Å; P227-F242 HydrophobicContact CG-CZ 4.25Å; A228-F242 HydrophobicContact CB-CD1 3.9Å; A228-F242 HydrophobicContact CB-CD2 4.08Å; A228-F242 HydrophobicContact CB-CE1 3.88Å; A228-F242 HydrophobicContact CB-CE2 4.05Å; A228-F242 HydrophobicContact CB-CG 4.01Å; A228-F242 HydrophobicContact CB-CZ 3.94Å; A231-F242 HydrophobicContact CB-CD1 3.96Å; A231-F242 HydrophobicContact CB-CE1 3.43Å; A231-F242 VanDerWaalsContact CB-CE1 3.43Å; A231-F242 HydrophobicContact CB-CZ 4.46Å; F242-Q244 HydrophobicContact CB-CG 4.13Å; F242-Q244 PolarHBondContact O-N 3.41Å; F242-Q244 VanDerWaalsContact O-N 3.12Å; F242-V245 WeakPolarHBondContact O-CG2 3.47Å; F242-V245 PolarHBondContact O-N 3.17Å; F242-V245 VanDerWaalsContact O-N 3.07Å; F242-C246 PolarHBondContact O-N 3.24Å
243A91.8Very high82.9Confident42 Ų4293.2 Ų93.235%0.34746%0.46SS..G310 helixtrans-54.1-33.9179.400000113.3R234 K235 V245 C246R234-A243 HydrophobicContact CB-CB 4.32Å; K235-A243 HydrophobicContact CB-CB 4.08Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 3.23Å; A243-C246 VanDerWaalsContact O-CB 3.22Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 2.98Å; A243-C246 VanDerWaalsContact O-N 3.14Å
244Q91.4Very high80.9Confident144 Ų144101.4 Ų101.467%0.67350%0.498SS*.G310 helixtrans-64.8-24.5179.965.6177.3-24.200114.8C214 F242C214-Q244 PolarHBondContact O-NE2 3.24Å; F242-Q244 HydrophobicContact CB-CG 4.13Å; F242-Q244 PolarHBondContact O-N 3.41Å; F242-Q244 VanDerWaalsContact O-N 3.12Å
245V92.5Very high78.9Confident43 Ų4396.8 Ų96.826%0.26149%0.491SS..G310 helixtrans-110.912.5176-65.60000111.9F212 R213 H241 F242 A243 R247F212-V245 WeakPolarHBondContact O-CG2 3.44Å; R213-V245 WeakPolarHBondContact O-CG2 3.24Å; H241-V245 HydrophobicContact CB-CG2 4.03Å; F242-V245 WeakPolarHBondContact O-CG2 3.47Å; F242-V245 PolarHBondContact O-N 3.17Å; F242-V245 VanDerWaalsContact O-N 3.07Å; A243-V245 VanDerWaalsContact C-N 3.27Å; A243-V245 PolarHBondContact O-N 3.23Å; V245-R247 PolarHBondContact O-N 2.82Å
246C92.9Very high77.3Confident10 Ų10101.1 Ų101.17%0.06851%0.513CS..  trans-75.6111.3-176.6-178.20000111.3C233 K235 H241 F242 A243 S248C233-C246 VanDerWaalsContact SG-SG 3.68Å; K235-C246 HydrophobicContact CB-CB 4.11Å; K235-C246 HydrophobicContact CD-CB 3.89Å; K235-C246 HydrophobicContact CG-CB 4.47Å; K235-C246 PolarHBondContact NZ-O 3.45Å; H241-C246 PolarHBondContact NE2-SG 3.46Å; H241-C246 VanDerWaalsContact NE2-SG 3.36Å; F242-C246 PolarHBondContact O-N 3.24Å; A243-C246 VanDerWaalsContact O-CB 3.22Å; A243-C246 WeakPolarHBondContact O-CB 3.37Å; A243-C246 PolarHBondContact O-N 2.98Å; A243-C246 VanDerWaalsContact O-N 3.14Å; C246-S248 PolarHBondContact O-N 2.88Å; C246-S248 VanDerWaalsContact SG-CB 3.6Å
247R88Confident75.8Confident216 Ų216104.8 Ų104.882%0.81554%0.535SS*.  trans-80.73176.8-59.7-176-178.7-164.4-1.1113.9V245 V249V245-R247 PolarHBondContact O-N 2.82Å; R247-V249 PolarHBondContact O-N 3.35Å
248S84.9Confident74.5Confident37 Ų37105.5 Ų105.526%0.25954%0.542SS..  trans-72128.5176.8-54.50000110.6K235 C236 C246K235-S248 WeakPolarHBondContact CE-O 3.47Å; K235-S248 PolarHBondContact NZ-O 3.36Å; K235-S248 VanDerWaalsContact NZ-O 3.13Å; C236-S248 WeakPolarHBondContact CB-OG 3.08Å; C246-S248 PolarHBondContact O-N 2.88Å; C246-S248 VanDerWaalsContact SG-CB 3.6Å
249V72.7Confident73.2Confident130 Ų130109.5 Ų109.579%0.78856%0.562SS**  trans-75.4134.5169-175.40000107.5R247 R251R247-V249 PolarHBondContact O-N 3.35Å; V249-R251 PolarHBondContact O-N 3.31Å
250K58.8Low71.8Confident183 Ų183108.8 Ų108.880%0.79657%0.566SS**  trans-59.5110.1171.2-89.5-174.1173.9-175.60107.5S252K250-S252 PolarHBondContact O-N 3.49Å
251R54.8Low70.5Confident189 Ų189114.1 Ų114.171%0.71360%0.596SS**  trans-71.2115.5165.9-82.2-178.8166.9178.1-6.4106.8V249 S253V249-R251 PolarHBondContact O-N 3.31Å; R251-S253 PolarHBondContact O-N 3.44Å
252S52.4Low68.9Low107 Ų107116.7 Ų116.775%0.74862%0.617SS**  trans-64.9103.7159.1-178.20000106.2K250 Q254K250-S252 PolarHBondContact O-N 3.49Å; S252-Q254 PolarHBondContact O-N 3.48Å
253S50.4Low67.4Low101 Ų101120.9 Ų120.971%0.70665%0.647SS**  trans-76.579.2175.5490000108.7R251 N255R251-S253 PolarHBondContact O-N 3.44Å; S253-N255 PolarHBondContact O-N 3.42Å
254Q51.6Low65.9Low172 Ų172121.8 Ų121.880%0.80465%0.649SS**  trans-81.695.7154.5-74.7-175.1-18.100106S252 E256S252-Q254 PolarHBondContact O-N 3.48Å; Q254-E256 PolarHBondContact O-N 3.02Å
255N47.9Very low64.5Low141 Ų141120.5 Ų120.575%0.75465%0.654SS**  trans-66.1112.8166.2-81.8-7.3000106.8S253 V257S253-N255 PolarHBondContact O-N 3.42Å; N255-V257 PolarHBondContact O-N 3.45Å; N255-V257 VanDerWaalsContact O-N 3.12Å
256E54.5Low62.9Low191 Ų191121.1 Ų121.189%0.89366%0.66SS**  trans-65.3108.5163.4-77.1179.8163.800107.4Q254Q254-E256 PolarHBondContact O-N 3.02Å
257V56.8Low61.3Low96 Ų96127.7 Ų127.758%0.58270%0.7SS**  trans-84.6117.9173.6178.70000107.1N255 H259N255-V257 PolarHBondContact O-N 3.45Å; N255-V257 VanDerWaalsContact O-N 3.12Å; V257-H259 PolarHBondContact O-CD2 2.9Å; V257-H259 PolarHBondContact O-N 2.61Å; V257-H259 VanDerWaalsContact O-N 3.16Å
258V60.3Low60.2Low116 Ų116121.5 Ų121.570%0.70368%0.683SS**  trans-70.4108.9169.2179.80000107.6V261V258-V261 HydrophobicContact CG1-CG2 3.86Å
259H61.6Low59.2Low172 Ų172126.7 Ų126.780%0.79671%0.713SS**  trans-78.6-30.8-177.6-72.5-71.5000113.4V257V257-H259 PolarHBondContact O-CD2 2.9Å; V257-H259 PolarHBondContact O-N 2.61Å; V257-H259 VanDerWaalsContact O-N 3.16Å
260S62.2Low59.4Low93 Ų93130.9 Ų130.965%0.6572%0.715SS**  trans-158.6146.9-178.656.50000110.8
261V64.5Low60.2Low126 Ų126129.2 Ų129.276%0.76470%0.704SS**  trans-119122.8168.4179.80000107.3V258V258-V261 HydrophobicContact CG1-CG2 3.86Å
262S61.4Low61.4Low85 Ų85122.9 Ų122.959%0.59468%0.684SS**  trans-115.7129.5177.2-57.90000109.1
263T63.4Low63Low144 Ų144121.9 Ų121.988%0.88366%0.664SS**  trans-93.3123.7169.4-56.20000108.3
264V61.7Low64.6Low61 Ų61118.3 Ų118.337%0.3764%0.638SS.*  trans-122.6132.9178.1-171.90000109.8L272 V274V264-L272 HydrophobicContact CB-CD1 4.22Å; V264-L272 HydrophobicContact CG1-CD1 3.86Å; V264-V274 HydrophobicContact CB-CG1 3.69Å; V264-V274 HydrophobicContact CG1-CG1 3.96Å; V264-V274 HydrophobicContact CG2-CB 3.97Å; V264-V274 HydrophobicContact CG2-CG1 3.31Å
265C60.7Low66.3Low117 Ų117115.4 Ų115.479%0.79163%0.628SS**  trans-99.9125.5175.5-173.90000108
266C59.6Low68.1Low57 Ų57112 Ų11239%0.38561%0.609SS.*  trans-97.4129.7174.6-143.90000110.5D268 R271 L272C266-D268 PolarHBondContact SG-O 3.31Å; C266-R271 PolarHBondContact SG-O 2.96Å; C266-L272 HydrophobicContact CB-CD1 3.6Å
267T59.1Low69.7Low147 Ų147107.9 Ų107.990%0.90259%0.59SS**SBendtrans-90.9-19.3165.752.50000112.1
268D65.6Low71.2Confident86 Ų86105.1 Ų105.146%0.4657%0.571SS.*  trans-98.9121.1176.5-172.3-18.3000110.1C266 R270C266-D268 PolarHBondContact SG-O 3.31Å; D268-R270 PolarHBondContact O-N 3.04Å; D268-R270 WeakPolarHBondContact OD1-CB 3.19Å; D268-R270 PolarHBondContact OD1-N 3.42Å
269T63.5Low72.4Confident146 Ų146106.4 Ų106.490%0.89657%0.568SS**SBendtrans-71.8-9.5-178.253.20000113.8
270R75.6Confident73.5Confident219 Ų219101 Ų10183%0.82654%0.544SS*.SBendtrans-96-34.4-172.3-63.2-176.6-179.9178.21.7114.3D268D268-R270 PolarHBondContact O-N 3.04Å; D268-R270 WeakPolarHBondContact OD1-CB 3.19Å; D268-R270 PolarHBondContact OD1-N 3.42Å
271R75.7Confident74.4Confident147 Ų147102.5 Ų102.556%0.55555%0.545SS*.  trans-148.3123.5-175.3-63.2-175.1-177.4164.30.3110.8C266 Y273 M290C266-R271 PolarHBondContact SG-O 2.96Å; R271-Y273 HydrophobicContact CB-CD2 4.07Å; R271-Y273 HydrophobicContact CB-CE2 3.48Å; R271-Y273 VanDerWaalsContact CB-CE2 3.48Å; R271-Y273 WeakPolarHBondContact CD-OH 3.45Å; R271-Y273 HydrophobicContact CG-CE2 4.36Å; R271-M290 HydrophobicContact CG-SD 4.36Å
272L81.3Confident75.3Confident56 Ų56100.7 Ų100.729%0.29355%0.552SS.*  trans-93.7123172.2177.868.3000108.8V264 C266 M290 V291V264-L272 HydrophobicContact CB-CD1 4.22Å; V264-L272 HydrophobicContact CG1-CD1 3.86Å; C266-L272 HydrophobicContact CB-CD1 3.6Å; L272-M290 CarbonylContact O-C 3.52Å; L272-M290 WeakPolarHBondContact O-CA 3.2Å; L272-V291 HydrophobicContact CB-CB 4.19Å; L272-V291 HydrophobicContact CB-CG2 4.41Å; L272-V291 HydrophobicContact CD2-CB 3.83Å; L272-V291 HydrophobicContact CD2-CG1 4.05Å; L272-V291 HydrophobicContact CD2-CG2 3.79Å; L272-V291 HydrophobicContact CG-CB 4.01Å; L272-V291 HydrophobicContact CG-CG2 3.79Å; L272-V291 PolarHBondContact O-N 3.2Å
273Y84.5Confident76.5Confident87 Ų87100.8 Ų100.834%0.34154%0.541SS..EExtended strand (participates in β ladder)trans-113.2145.5174.1-70.7-89.3000110.2R271 E288 C289 M290R271-Y273 HydrophobicContact CB-CD2 4.07Å; R271-Y273 HydrophobicContact CB-CE2 3.48Å; R271-Y273 VanDerWaalsContact CB-CE2 3.48Å; R271-Y273 WeakPolarHBondContact CD-OH 3.45Å; R271-Y273 HydrophobicContact CG-CE2 4.36Å; Y273-E288 HydrophobicContact CD1-CG 3.95Å; Y273-E288 HydrophobicContact CG-CG 4.22Å; Y273-C289 CarbonylContact C-O 3.43Å; Y273-C289 VanDerWaalsContact CA-O 3.3Å; Y273-C289 WeakPolarHBondContact CA-O 3.5Å; Y273-M290 HydrophobicContact CD1-CB 4Å; Y273-M290 HydrophobicContact CE1-CB 3.74Å; Y273-M290 HydrophobicContact CE1-CG 4.26Å
274V84.5Confident77.7Confident26 Ų2696 Ų9616%0.15852%0.517CS..EExtended strand (participates in β ladder)trans-138.2137.1179.4-56.40000110.2V264 I276 C289 V291V264-V274 HydrophobicContact CB-CG1 3.69Å; V264-V274 HydrophobicContact CG1-CG1 3.96Å; V264-V274 HydrophobicContact CG2-CB 3.97Å; V264-V274 HydrophobicContact CG2-CG1 3.31Å; V274-I276 HydrophobicContact CG2-CD1 4.09Å; V274-I276 HydrophobicContact CG2-CG1 3.92Å; V274-I276 PolarHBondContact O-N 2.86Å; V274-C289 HydrophobicContact CG2-CB 4.33Å; V274-C289 PolarHBondContact N-O 3.39Å; V274-C289 PolarHBondContact O-N 3.48Å; V274-V291 HydrophobicContact CB-CG2 4.17Å; V274-V291 HydrophobicContact CG1-CG2 3.35Å; V274-V291 HydrophobicContact CG2-CG2 3.7Å
275D87.2Confident79.1Confident111 Ų11199.7 Ų99.759%0.59452%0.524SS*.EExtended strand (participates in β ladder)trans-78.3121.5172.6-75.8-27000110.3T286 I287D275-T286 HydrophobicContact CB-CG2 3.77Å; D275-I287 WeakPolarHBondContact CA-O 3.27Å
276I86.1Confident80.5Confident69 Ų6998.3 Ų98.335%0.35451%0.512SS..EExtended strand (participates in β ladder)trans-114.7124.3177.8-54.7-175.3000109V274 L278 T286 I287 C289V274-I276 HydrophobicContact CG2-CD1 4.09Å; V274-I276 HydrophobicContact CG2-CG1 3.92Å; V274-I276 PolarHBondContact O-N 2.86Å; I276-L278 HydrophobicContact CG2-CD2 4.42Å; I276-L278 PolarHBondContact O-N 2.88Å; I276-T286 CarbonylContact O-C 3.5Å; I276-T286 WeakPolarHBondContact O-CA 3.42Å; I276-I287 HydrophobicContact CB-CG1 4.27Å; I276-I287 PolarHBondContact N-O 3.3Å; I276-I287 WeakPolarHBondContact O-CG1 3.48Å; I276-I287 PolarHBondContact O-N 2.92Å; I276-C289 HydrophobicContact CD1-CB 3.67Å; I276-C289 HydrophobicContact CG1-CB 4.04Å
277E88.5Confident81.9Confident105 Ų10596.6 Ų96.649%0.49150%0.499SS..EExtended strand (participates in β ladder)trans-86.6107.8173.3-168.8-177.6-145.600110.5K279 A284E277-K279 HydrophobicContact CG-CG 4.41Å; E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 WeakPolarHBondContact OE2-CE 3.48Å; E277-K279 IonicContact OE2-NZ 2.74Å; E277-K279 PolarHBondContact OE2-NZ 3.21Å; E277-A284 HydrophobicContact CG-CB 4.5Å
278L87.6Confident83.4Confident37 Ų3796.1 Ų96.119%0.19449%0.486CS..EExtended strand (participates in β ladder)trans-85.1122.6173.6-65.6175.4000110.4I276 A284 R285 I287 L300 F304 F309I276-L278 HydrophobicContact CG2-CD2 4.42Å; I276-L278 PolarHBondContact O-N 2.88Å; L278-A284 CarbonylContact O-C 3.58Å; L278-A284 VanDerWaalsContact O-CA 3.26Å; L278-A284 WeakPolarHBondContact O-CA 3.4Å; L278-R285 PolarHBondContact N-O 3.32Å; L278-R285 PolarHBondContact O-N 3.26Å; L278-I287 HydrophobicContact CD1-CD1 3.36Å; L278-I287 HydrophobicContact CD1-CG1 3.94Å; L278-I287 HydrophobicContact CG-CD1 3.89Å; L278-I287 HydrophobicContact CG-CG1 4.1Å; L278-L300 HydrophobicContact CD1-CD1 3.59Å; L278-L300 HydrophobicContact CD2-CD1 4.24Å; L278-F304 HydrophobicContact CD1-CE1 3.77Å; L278-F304 HydrophobicContact CD1-CZ 4.45Å; L278-F309 HydrophobicContact CB-CE2 4.31Å; L278-F309 HydrophobicContact CB-CZ 4.18Å; L278-F309 HydrophobicContact CD1-CE2 4.45Å
279K86.6Confident84.4Confident143 Ų14393.1 Ų93.162%0.62247%0.472SS*.EExtended strand (participates in β ladder)trans-116.4117175.3-68.2180177.8154.30110.6E277 K283 A284E277-K279 HydrophobicContact CG-CG 4.41Å; E277-K279 IonicContact OE1-NZ 2.82Å; E277-K279 WeakPolarHBondContact OE2-CE 3.48Å; E277-K279 IonicContact OE2-NZ 2.74Å; E277-K279 PolarHBondContact OE2-NZ 3.21Å; K279-K283 WeakPolarHBondContact CA-O 3.49Å; K279-A284 HydrophobicContact CG-CB 3.93Å
280L84.5Confident85.6Confident59 Ų5991.3 Ų91.331%0.30946%0.455SS..EExtended strand (participates in β ladder)trans-139.5127.5179.7-82.8155.5000109.5G282 K283 L305 F309 V312L280-G282 PolarHBondContact O-N 3.31Å; L280-G282 VanDerWaalsContact O-N 3.13Å; L280-K283 PolarHBondContact N-O 3.22Å; L280-K283 PolarHBondContact O-N 3.12Å; L280-L305 HydrophobicContact CD1-CD1 4.08Å; L280-F309 HydrophobicContact CB-CD1 3.61Å; L280-F309 HydrophobicContact CB-CE1 3.8Å; L280-F309 HydrophobicContact CB-CG 4.25Å; L280-F309 HydrophobicContact CD1-CB 4.42Å; L280-F309 HydrophobicContact CD1-CD1 4.14Å; L280-F309 HydrophobicContact CD1-CD2 4.1Å; L280-F309 HydrophobicContact CD1-CE1 4.4Å; L280-F309 HydrophobicContact CD1-CE2 4.36Å; L280-F309 HydrophobicContact CD1-CG 3.97Å; L280-F309 HydrophobicContact CD1-CZ 4.49Å; L280-V312 HydrophobicContact CB-CG2 4.28Å; L280-V312 HydrophobicContact CD2-CG1 4.25Å; L280-V312 HydrophobicContact CD2-CG2 4.47Å
281N81.6Confident86Confident124 Ų12483.4 Ų83.466%0.66343%0.431SS*.THydrogen-bonded Turntrans46.241.9179.8-70.2-4.4000114.3K283N281-K283 PolarHBondContact O-N 3.1Å
282G82.6Confident86.5Confident88 Ų8881.2 Ų81.291%0.90743%0.43SS*.THydrogen-bonded Turntrans77.4-6.4179.800000115.4L280L280-G282 PolarHBondContact O-N 3.31Å; L280-G282 VanDerWaalsContact O-N 3.13Å
283K86.3Confident86.5Confident87 Ų8785 Ų8538%0.37846%0.456SS..EExtended strand (participates in β ladder)trans-87.2138.5169.6-67.3171.9178.71630108.9K279 L280 N281 F309 E311K279-K283 WeakPolarHBondContact CA-O 3.49Å; L280-K283 PolarHBondContact N-O 3.22Å; L280-K283 PolarHBondContact O-N 3.12Å; N281-K283 PolarHBondContact O-N 3.1Å; K283-F309 HydrophobicContact CB-CD1 4.11Å; K283-F309 HydrophobicContact CB-CE1 3.8Å; K283-E311 IonicContact NZ-OE1 3.83Å; K283-E311 PolarHBondContact NZ-OE1 2.64Å; K283-E311 IonicContact NZ-OE2 2.66Å; K283-E311 PolarHBondContact NZ-OE2 2.86Å
284A89.6Confident86.5Confident44 Ų4484.2 Ų84.236%0.36447%0.474SS..EExtended strand (participates in β ladder)trans-122137.3176.200000110.5E277 L278 K279E277-A284 HydrophobicContact CG-CB 4.5Å; L278-A284 CarbonylContact O-C 3.58Å; L278-A284 VanDerWaalsContact O-CA 3.26Å; L278-A284 WeakPolarHBondContact O-CA 3.4Å; K279-A284 HydrophobicContact CG-CB 3.93Å
285R89.8Confident86.4Confident138 Ų13885.2 Ų85.252%0.52148%0.482SS..EExtended strand (participates in β ladder)trans-141.1128172.7-68.7-62.8177.8-158.51.5110.4L278 H308 F309L278-R285 PolarHBondContact N-O 3.32Å; L278-R285 PolarHBondContact O-N 3.26Å; R285-H308 HydrophobicContact CG-CB 4.18Å; R285-F309 HydrophobicContact CB-CE2 4.25Å; R285-F309 HydrophobicContact CB-CZ 3.91Å; R285-F309 HydrophobicContact CG-CE2 4.25Å; R285-F309 HydrophobicContact CG-CZ 3.85Å
286T91Very high86.1Confident89 Ų8986.8 Ų86.855%0.54650%0.496SS..EExtended strand (participates in β ladder)trans-83.5133.3169.6-52.60000109.6D275 I276D275-T286 HydrophobicContact CB-CG2 3.77Å; I276-T286 CarbonylContact O-C 3.5Å; I276-T286 WeakPolarHBondContact O-CA 3.42Å
287I88.9Confident86Confident20 Ų2086.5 Ų86.510%0.10350%0.497CS..EExtended strand (participates in β ladder)trans-128136.1174.950.8168000110.8D275 I276 L278 C289 L300 F304D275-I287 WeakPolarHBondContact CA-O 3.27Å; I276-I287 HydrophobicContact CB-CG1 4.27Å; I276-I287 PolarHBondContact N-O 3.3Å; I276-I287 WeakPolarHBondContact O-CG1 3.48Å; I276-I287 PolarHBondContact O-N 2.92Å; L278-I287 HydrophobicContact CD1-CD1 3.36Å; L278-I287 HydrophobicContact CD1-CG1 3.94Å; L278-I287 HydrophobicContact CG-CD1 3.89Å; L278-I287 HydrophobicContact CG-CG1 4.1Å; I287-C289 WeakPolarHBondContact CD1-SG 3.08Å; I287-C289 VanDerWaalsContact CG1-SG 3.55Å; I287-C289 PolarHBondContact O-N 3.04Å; I287-L300 HydrophobicContact CD1-CD1 4.35Å; I287-L300 HydrophobicContact CD1-CD2 3.31Å; I287-L300 HydrophobicContact CD1-CG 4.45Å; I287-F304 HydrophobicContact CG2-CD2 4.42Å; I287-F304 HydrophobicContact CG2-CE1 3.92Å; I287-F304 HydrophobicContact CG2-CE2 3.37Å; I287-F304 HydrophobicContact CG2-CZ 3.08Å
288E89.4Confident85.9Confident137 Ų13787.2 Ų87.264%0.6451%0.513SS*.EExtended strand (participates in β ladder)trans-77.3117.3169.1-170.4-177.6-123.600108.5Y273Y273-E288 HydrophobicContact CD1-CG 3.95Å; Y273-E288 HydrophobicContact CG-CG 4.22Å
289C87.8Confident85.9Confident24 Ų2490.4 Ų90.416%0.16253%0.53CS..EExtended strand (participates in β ladder)trans-114.4132.4-176.5-71.30000110.2Y273 V274 I276 I287Y273-C289 CarbonylContact C-O 3.43Å; Y273-C289 VanDerWaalsContact CA-O 3.3Å; Y273-C289 WeakPolarHBondContact CA-O 3.5Å; V274-C289 HydrophobicContact CG2-CB 4.33Å; V274-C289 PolarHBondContact N-O 3.39Å; V274-C289 PolarHBondContact O-N 3.48Å; I276-C289 HydrophobicContact CD1-CB 3.67Å; I276-C289 HydrophobicContact CG1-CB 4.04Å; I287-C289 WeakPolarHBondContact CD1-SG 3.08Å; I287-C289 VanDerWaalsContact CG1-SG 3.55Å; I287-C289 PolarHBondContact O-N 3.04Å
290M87.3Confident86Confident107 Ų10787.6 Ų87.653%0.52752%0.521SS..EExtended strand (participates in β ladder)trans-70.5131.9168.3-170.9174.264.200109.5R271 L272 Y273 D292R271-M290 HydrophobicContact CG-SD 4.36Å; L272-M290 CarbonylContact O-C 3.52Å; L272-M290 WeakPolarHBondContact O-CA 3.2Å; Y273-M290 HydrophobicContact CD1-CB 4Å; Y273-M290 HydrophobicContact CE1-CB 3.74Å; Y273-M290 HydrophobicContact CE1-CG 4.26Å; M290-D292 PolarHBondContact O-N 2.97Å
291V86.1Confident86.2Confident53 Ų5388.9 Ų88.932%0.32153%0.534SS..  trans-81115.8176-177.80000109L272 V274 T293L272-V291 HydrophobicContact CB-CB 4.19Å; L272-V291 HydrophobicContact CB-CG2 4.41Å; L272-V291 HydrophobicContact CD2-CB 3.83Å; L272-V291 HydrophobicContact CD2-CG1 4.05Å; L272-V291 HydrophobicContact CD2-CG2 3.79Å; L272-V291 HydrophobicContact CG-CB 4.01Å; L272-V291 HydrophobicContact CG-CG2 3.79Å; L272-V291 PolarHBondContact O-N 3.2Å; V274-V291 HydrophobicContact CB-CG2 4.17Å; V274-V291 HydrophobicContact CG1-CG2 3.35Å; V274-V291 HydrophobicContact CG2-CG2 3.7Å; V291-T293 HydrophobicContact CG1-CG2 4.03Å
292D85.2Confident86.4Confident101 Ų10187.1 Ų87.154%0.5452%0.521SS..  trans-11297.8171.3-177.13.8000109.4M290 G294 S295M290-D292 PolarHBondContact O-N 2.97Å; D292-G294 PolarHBondContact O-N 3Å; D292-G294 WeakPolarHBondContact OD1-CA 3.33Å; D292-G294 PolarHBondContact OD1-N 3.38Å; D292-S295 PolarHBondContact O-N 3.38Å
293T82.4Confident86.8Confident137 Ų13786.2 Ų86.284%0.8451%0.505SS*.THydrogen-bonded Turntrans-72-11.2177.957.50000113V291V291-T293 HydrophobicContact CG1-CG2 4.03Å
294G82.8Confident87Confident69 Ų6984 Ų8471%0.71150%0.496SS*.THydrogen-bonded Turntrans-87.2-12178.100000114.1D292D292-G294 PolarHBondContact O-N 3Å; D292-G294 WeakPolarHBondContact OD1-CA 3.33Å; D292-G294 PolarHBondContact OD1-N 3.38Å
295S83.3Confident86.9Confident47 Ų4783.4 Ų83.433%0.32949%0.486SS..  trans-95140.8179.3-174.60000112.1D292 V297D292-S295 PolarHBondContact O-N 3.38Å; S295-V297 VanDerWaalsContact C-N 3.3Å; S295-V297 WeakPolarHBondContact CB-O 3.41Å; S295-V297 PolarHBondContact OG-N 3.38Å; S295-V297 PolarHBondContact OG-O 2.6Å
296T80.6Confident86.9Confident145 Ų14585.1 Ų85.189%0.8949%0.493SS*.SBendtrans-87.1-2.4172.455.10000113
297V84.2Confident86.9Confident63 Ų6388 Ų8838%0.38250%0.5SS..SBendtrans-139.3152.2-179.1-630000110.7S295 L299 L321S295-V297 VanDerWaalsContact C-N 3.3Å; S295-V297 WeakPolarHBondContact CB-O 3.41Å; S295-V297 PolarHBondContact OG-N 3.38Å; S295-V297 PolarHBondContact OG-O 2.6Å; V297-L299 HydrophobicContact CG2-CD2 4Å; V297-L299 HydrophobicContact CG2-CG 4.47Å; V297-L321 HydrophobicContact CG1-CD2 4.35Å; V297-L321 HydrophobicContact CG2-CD2 3.73Å
298S86.6Confident87Confident119 Ų11989.6 Ų89.683%0.83251%0.507SS*.  trans-95.1138168.4-53.60000109.6
299L87.9Confident87Confident105 Ų10583.2 Ų83.255%0.5548%0.477SS..  trans-113.8139.7180-57.7179.1000110V297 L321V297-L299 HydrophobicContact CG2-CD2 4Å; V297-L299 HydrophobicContact CG2-CG 4.47Å; L299-L321 HydrophobicContact CD2-CD1 3.43Å; L299-L321 VanDerWaalsContact CD2-CD1 3.43Å
300L88.5Confident86.9Confident83 Ų8384.8 Ų84.844%0.43550%0.497SS..  trans-127.5138.4170.2-70.4169.6000108.9L278 I287 E302L278-L300 HydrophobicContact CD1-CD1 3.59Å; L278-L300 HydrophobicContact CD2-CD1 4.24Å; I287-L300 HydrophobicContact CD1-CD1 4.35Å; I287-L300 HydrophobicContact CD1-CD2 3.31Å; I287-L300 HydrophobicContact CD1-CG 4.45Å; L300-E302 PolarHBondContact O-N 3.47Å
301P88Confident86.8Confident87 Ų8786.3 Ų86.357%0.56550%0.503SS*.  trans-58.2135.2174.5-23.233.5000111.1A303 F304 L305P301-A303 PolarHBondContact O-N 3.1Å; P301-F304 HydrophobicContact CB-CB 4.33Å; P301-F304 VanDerWaalsContact O-CB 3.28Å; P301-F304 WeakPolarHBondContact O-CB 3.49Å; P301-F304 PolarHBondContact O-N 3.4Å; P301-L305 PolarHBondContact O-N 3.35Å
302E86.9Confident86.7Confident87 Ų8785.3 Ų85.341%0.40750%0.497SS..Hα-helixtrans-58.2-36.4177.5-172.3-177.5165.100111.8L300 F304 L305 R306 L314L300-E302 PolarHBondContact O-N 3.47Å; E302-F304 PolarHBondContact O-N 3.23Å; E302-L305 PolarHBondContact O-N 3.02Å; E302-L305 VanDerWaalsContact O-N 3.12Å; E302-R306 HydrophobicContact CG-CG 4.36Å; E302-R306 WeakPolarHBondContact O-CG 3.39Å; E302-R306 PolarHBondContact O-N 2.99Å; E302-R306 IonicContact OE1-CZ 2.81Å; E302-R306 IonicContact OE1-NE 2.95Å; E302-R306 PolarHBondContact OE1-NE 3.48Å; E302-R306 IonicContact OE1-NH2 3.14Å; E302-R306 PolarHBondContact OE1-NH2 2.98Å; E302-L314 HydrophobicContact CG-CD1 4.09Å
303A89.7Confident86.6Confident69 Ų6985.5 Ų85.557%0.5750%0.504SS*.Hα-helixtrans-57-38175.200000112.5P301 R306 Q307P301-A303 PolarHBondContact O-N 3.1Å; A303-R306 PolarHBondContact O-N 2.86Å; A303-Q307 VanDerWaalsContact O-CB 3.3Å; A303-Q307 WeakPolarHBondContact O-CB 3.4Å; A303-Q307 PolarHBondContact O-N 3.31Å
304F90.2Very high86.8Confident41 Ų4184.2 Ų84.218%0.1849%0.491CS..Hα-helixtrans-64.1-45.5176.3178.7-87.5000110.9L278 I287 P301 E302 Q307 H308 F309L278-F304 HydrophobicContact CD1-CE1 3.77Å; L278-F304 HydrophobicContact CD1-CZ 4.45Å; I287-F304 HydrophobicContact CG2-CD2 4.42Å; I287-F304 HydrophobicContact CG2-CE1 3.92Å; I287-F304 HydrophobicContact CG2-CE2 3.37Å; I287-F304 HydrophobicContact CG2-CZ 3.08Å; P301-F304 HydrophobicContact CB-CB 4.33Å; P301-F304 VanDerWaalsContact O-CB 3.28Å; P301-F304 WeakPolarHBondContact O-CB 3.49Å; P301-F304 PolarHBondContact O-N 3.4Å; E302-F304 PolarHBondContact O-N 3.23Å; F304-Q307 PolarHBondContact O-N 3.45Å; F304-H308 AromaticContact CD2-CD2 3.53Å; F304-H308 AromaticContact CD2-NE2 3.95Å; F304-H308 AromaticContact CE2-CD2 3.24Å; F304-H308 WeakPolarHBondContact CE2-CD2 3.29Å; F304-H308 AromaticContact CE2-NE2 3.6Å; F304-H308 HydrophobicContact CZ-CB 4.49Å; F304-H308 AromaticContact CZ-CD2 3.52Å; F304-H308 PolarHBondContact O-CD2 2.94Å; F304-H308 PolarHBondContact O-N 2.65Å; F304-F309 HydrophobicContact CE1-CD2 4.46Å; F304-F309 HydrophobicContact CE1-CE2 4.07Å
305L88.3Confident86.9Confident31 Ų3188.5 Ų88.516%0.16250%0.497CS..Hα-helixtrans-63.3-45.4177.1-171.277.3000111.1L280 P301 E302 Q307 H308 F309 G310 L314L280-L305 HydrophobicContact CD1-CD1 4.08Å; P301-L305 PolarHBondContact O-N 3.35Å; E302-L305 PolarHBondContact O-N 3.02Å; E302-L305 VanDerWaalsContact O-N 3.12Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 2.88Å; L305-H308 PolarHBondContact O-N 3.36Å; L305-F309 HydrophobicContact CD1-CB 3.77Å; L305-F309 HydrophobicContact CD1-CD2 4.08Å; L305-F309 HydrophobicContact CD1-CG 4.29Å; L305-F309 HydrophobicContact CG-CB 4.32Å; L305-F309 CarbonylContact O-C 3.54Å; L305-F309 VanDerWaalsContact O-CA 3.23Å; L305-F309 WeakPolarHBondContact O-CA 3.5Å; L305-F309 PolarHBondContact O-N 3.26Å; L305-G310 PolarHBondContact O-N 3.44Å; L305-G310 VanDerWaalsContact O-N 3.14Å; L305-L314 HydrophobicContact CD2-CD1 4.28Å; L305-L314 HydrophobicContact CD2-CD2 3.26Å; L305-L314 HydrophobicContact CD2-CG 3.78Å
306R89.2Confident87Confident174 Ų17492.5 Ų92.566%0.65752%0.519SS*.Hα-helixtrans-60.9-39.5178.1-71.3-179.5178.2-130.86.3112.3E302 A303 G310E302-R306 HydrophobicContact CG-CG 4.36Å; E302-R306 WeakPolarHBondContact O-CG 3.39Å; E302-R306 PolarHBondContact O-N 2.99Å; E302-R306 IonicContact OE1-CZ 2.81Å; E302-R306 IonicContact OE1-NE 2.95Å; E302-R306 PolarHBondContact OE1-NE 3.48Å; E302-R306 IonicContact OE1-NH2 3.14Å; E302-R306 PolarHBondContact OE1-NH2 2.98Å; A303-R306 PolarHBondContact O-N 2.86Å; R306-G310 WeakPolarHBondContact O-CA 3.48Å; R306-G310 PolarHBondContact O-N 3.23Å
307Q91.2Very high87.1Confident148 Ų14890.7 Ų90.769%0.69251%0.51SS*.Hα-helixtrans-69.7-42.1-179.5-177.9178.3-2.200113.1A303 F304 L305A303-Q307 VanDerWaalsContact O-CB 3.3Å; A303-Q307 WeakPolarHBondContact O-CB 3.4Å; A303-Q307 PolarHBondContact O-N 3.31Å; F304-Q307 PolarHBondContact O-N 3.45Å; L305-Q307 VanDerWaalsContact C-N 3.31Å; L305-Q307 PolarHBondContact O-N 2.88Å
308H90.7Very high87.1Confident55 Ų5594.4 Ų94.426%0.25553%0.533SS..Hα-helixtrans-104.9-23.6-170.7-65.3-64.4000114.4R285 F304 L305R285-H308 HydrophobicContact CG-CB 4.18Å; F304-H308 AromaticContact CD2-CD2 3.53Å; F304-H308 AromaticContact CD2-NE2 3.95Å; F304-H308 AromaticContact CE2-CD2 3.24Å; F304-H308 WeakPolarHBondContact CE2-CD2 3.29Å; F304-H308 AromaticContact CE2-NE2 3.6Å; F304-H308 HydrophobicContact CZ-CB 4.49Å; F304-H308 AromaticContact CZ-CD2 3.52Å; F304-H308 PolarHBondContact O-CD2 2.94Å; F304-H308 PolarHBondContact O-N 2.65Å; L305-H308 PolarHBondContact O-N 3.36Å
309F90.3Very high86.9Confident3 Ų397 Ų971%0.01353%0.529CS..Hα-helixtrans-140.331.1-173-55.7-76000111.8L278 L280 K283 R285 F304 L305 E311 V312L278-F309 HydrophobicContact CB-CE2 4.31Å; L278-F309 HydrophobicContact CB-CZ 4.18Å; L278-F309 HydrophobicContact CD1-CE2 4.45Å; L280-F309 HydrophobicContact CB-CD1 3.61Å; L280-F309 HydrophobicContact CB-CE1 3.8Å; L280-F309 HydrophobicContact CB-CG 4.25Å; L280-F309 HydrophobicContact CD1-CB 4.42Å; L280-F309 HydrophobicContact CD1-CD1 4.14Å; L280-F309 HydrophobicContact CD1-CD2 4.1Å; L280-F309 HydrophobicContact CD1-CE1 4.4Å; L280-F309 HydrophobicContact CD1-CE2 4.36Å; L280-F309 HydrophobicContact CD1-CG 3.97Å; L280-F309 HydrophobicContact CD1-CZ 4.49Å; K283-F309 HydrophobicContact CB-CD1 4.11Å; K283-F309 HydrophobicContact CB-CE1 3.8Å; R285-F309 HydrophobicContact CB-CE2 4.25Å; R285-F309 HydrophobicContact CB-CZ 3.91Å; R285-F309 HydrophobicContact CG-CE2 4.25Å; R285-F309 HydrophobicContact CG-CZ 3.85Å; F304-F309 HydrophobicContact CE1-CD2 4.46Å; F304-F309 HydrophobicContact CE1-CE2 4.07Å; L305-F309 HydrophobicContact CD1-CB 3.77Å; L305-F309 HydrophobicContact CD1-CD2 4.08Å; L305-F309 HydrophobicContact CD1-CG 4.29Å; L305-F309 HydrophobicContact CG-CB 4.32Å; L305-F309 CarbonylContact O-C 3.54Å; L305-F309 VanDerWaalsContact O-CA 3.23Å; L305-F309 WeakPolarHBondContact O-CA 3.5Å; L305-F309 PolarHBondContact O-N 3.26Å; F309-E311 PolarHBondContact O-N 2.87Å; F309-V312 HydrophobicContact CB-CG2 4Å; F309-V312 WeakPolarHBondContact O-CB 3.39Å; F309-V312 WeakPolarHBondContact O-CG2 3.49Å; F309-V312 PolarHBondContact O-N 2.72Å
310G85.1Confident86.7Confident56 Ų5697.7 Ų97.758%0.57754%0.537SS*.THydrogen-bonded Turntrans-59.4-12.2-172.100000116.5L305 R306 V312L305-G310 PolarHBondContact O-N 3.44Å; L305-G310 VanDerWaalsContact O-N 3.14Å; R306-G310 WeakPolarHBondContact O-CA 3.48Å; R306-G310 PolarHBondContact O-N 3.23Å; G310-V312 VanDerWaalsContact C-N 3.32Å
311E84.9Confident86.6Confident140 Ų14097 Ų9765%0.65453%0.534SS*.THydrogen-bonded Turntrans-79.5-12.4172.6-66.4158.8-163.100113.1K283 F309 P313K283-E311 IonicContact NZ-OE1 3.83Å; K283-E311 PolarHBondContact NZ-OE1 2.64Å; K283-E311 IonicContact NZ-OE2 2.66Å; K283-E311 PolarHBondContact NZ-OE2 2.86Å; F309-E311 PolarHBondContact O-N 2.87Å; E311-P313 WeakPolarHBondContact O-CD 3.4Å
312V83.8Confident86.5Confident32 Ų3296.5 Ų96.519%0.19453%0.53CS..SBendtrans-85.2117.6-176.9-179.30000109.7L280 F309 G310 L314L280-V312 HydrophobicContact CB-CG2 4.28Å; L280-V312 HydrophobicContact CD2-CG1 4.25Å; L280-V312 HydrophobicContact CD2-CG2 4.47Å; F309-V312 HydrophobicContact CB-CG2 4Å; F309-V312 WeakPolarHBondContact O-CB 3.39Å; F309-V312 WeakPolarHBondContact O-CG2 3.49Å; F309-V312 PolarHBondContact O-N 2.72Å; G310-V312 VanDerWaalsContact C-N 3.32Å; V312-L314 PolarHBondContact O-N 3.07Å
313P84.4Confident86.4Confident105 Ų10594.5 Ų94.568%0.68252%0.523SS*.PPolyproline II helixtrans-69.3132.1176.528.2-33.1000110.7E311E311-P313 WeakPolarHBondContact O-CD 3.4Å
314L85.3Confident86.1Confident110 Ų110102.6 Ų102.658%0.57654%0.541SS*.PPolyproline II helixtrans-74.4132.2170.8-74.3174.1000110.2E302 L305 V312E302-L314 HydrophobicContact CG-CD1 4.09Å; L305-L314 HydrophobicContact CD2-CD1 4.28Å; L305-L314 HydrophobicContact CD2-CD2 3.26Å; L305-L314 HydrophobicContact CD2-CG 3.78Å; V312-L314 PolarHBondContact O-N 3.07Å
315L86.4Confident86Confident159 Ų159106 Ų10683%0.83257%0.565SS**PPolyproline II helixtrans-80.4146.3174.2-61.1178000110.4
316T85.1Confident85.8Confident130 Ų130115 Ų11580%0.79860%0.597SS**PPolyproline II helixtrans-61125.8171.6-50.60000109.7T318T316-T318 PolarHBondContact O-N 3.4Å
317P82.7Confident85.7Confident108 Ų108109.4 Ų109.470%0.70159%0.585SS**PPolyproline II helixtrans-64.1134.7-17823.8-32.2000111.2
318T84.4Confident85.5Confident141 Ų141105.5 Ų105.587%0.86558%0.577SS**SBendtrans-89.9-6.517555.80000113T316T316-T318 PolarHBondContact O-N 3.4Å
319K82Confident85Confident173 Ų173106.1 Ų106.175%0.75258%0.582SS**SBendtrans-135.1145.4-179.2-62.6-179-177.8175.20108.9
320V83.6Confident84.3Confident119 Ų119111.7 Ų111.772%0.72162%0.619SS**  trans-93126.6172.1179.80000108A328V320-A328 HydrophobicContact CG1-CB 4.24Å
321L85.7Confident83.3Confident68 Ų68118.7 Ų118.736%0.35665%0.651SS.*  trans-73138.7173.6-63179.3000109.6V297 L299 L329V297-L321 HydrophobicContact CG1-CD2 4.35Å; V297-L321 HydrophobicContact CG2-CD2 3.73Å; L299-L321 HydrophobicContact CD2-CD1 3.43Å; L299-L321 VanDerWaalsContact CD2-CD1 3.43Å; L321-L329 HydrophobicContact CB-CB 3.98Å; L321-L329 HydrophobicContact CB-CD1 3.77Å; L321-L329 PolarHBondContact O-N 2.71Å
322T87Confident83.3Confident78 Ų78117.7 Ų117.748%0.47965%0.651SS.*BIsolated β-bridgetrans-124.8148.9177.554.30000110.9S327T322-S327 CarbonylContact C-O 3.59Å; T322-S327 WeakPolarHBondContact CA-O 3.24Å; T322-S327 WeakPolarHBondContact CB-O 3.42Å
323T85.1Confident83.2Confident45 Ų45122.2 Ų122.228%0.27668%0.675SS.*  trans-68.6172.1170.671.20000110.2T325 R326 S327 L329T323-T325 PolarHBondContact O-N 2.99Å; T323-T325 VanDerWaalsContact O-N 3.08Å; T323-T325 PolarHBondContact OG1-N 2.88Å; T323-T325 PolarHBondContact OG1-OG1 3.07Å; T323-R326 WeakPolarHBondContact O-CA 3.38Å; T323-R326 PolarHBondContact O-N 3.3Å; T323-S327 WeakPolarHBondContact CG2-OG 3.48Å; T323-S327 PolarHBondContact N-O 3.18Å; T323-S327 PolarHBondContact OG1-N 3.42Å; T323-S327 PolarHBondContact OG1-O 2.92Å; T323-S327 PolarHBondContact OG1-OG 3.17Å; T323-L329 HydrophobicContact CG2-CG 4.1Å
324Y82.6Confident83.2Confident238 Ų238123.1 Ų123.193%0.93367%0.674SS**THydrogen-bonded Turntrans-56.2-26173.7-169.1-97.9000113.5R326Y324-R326 VanDerWaalsContact C-N 3.28Å; Y324-R326 PolarHBondContact O-N 3.24Å
325T88.6Confident83.1Confident113 Ų113123.9 Ų123.969%0.69368%0.68SS**THydrogen-bonded Turntrans-88.610.4176.860.80000113.5T323 S327T323-T325 PolarHBondContact O-N 2.99Å; T323-T325 VanDerWaalsContact O-N 3.08Å; T323-T325 PolarHBondContact OG1-N 2.88Å; T323-T325 PolarHBondContact OG1-OG1 3.07Å; T325-S327 PolarHBondContact O-N 3.23Å; T325-S327 PolarHBondContact OG1-OG 3.44Å
326R83.6Confident82.8Confident219 Ų219121.7 Ų121.783%0.82667%0.671SS**SBendtrans64.112.4-176.3-53.8-177.4177.7-175-0.2114.9T323 Y324T323-R326 WeakPolarHBondContact O-CA 3.38Å; T323-R326 PolarHBondContact O-N 3.3Å; Y324-R326 VanDerWaalsContact C-N 3.28Å; Y324-R326 PolarHBondContact O-N 3.24Å
327S86.9Confident82.7Confident58 Ų58121.1 Ų121.141%0.40666%0.662SS.*PPolyproline II helixtrans-75.5150.216862.90000110.2T322 T323 T325 L329T322-S327 CarbonylContact C-O 3.59Å; T322-S327 WeakPolarHBondContact CA-O 3.24Å; T322-S327 WeakPolarHBondContact CB-O 3.42Å; T323-S327 WeakPolarHBondContact CG2-OG 3.48Å; T323-S327 PolarHBondContact N-O 3.18Å; T323-S327 PolarHBondContact OG1-N 3.42Å; T323-S327 PolarHBondContact OG1-O 2.92Å; T323-S327 PolarHBondContact OG1-OG 3.17Å; T325-S327 PolarHBondContact O-N 3.23Å; T325-S327 PolarHBondContact OG1-OG 3.44Å; S327-L329 PolarHBondContact O-N 3.15Å
328A86.8Confident82.7Confident65 Ų65122.1 Ų122.154%0.53766%0.659SS.*BIsolated β-bridgetrans-61.9136176.200000110.5V320V320-A328 HydrophobicContact CG1-CB 4.24Å
329L81.2Confident82.6Confident68 Ų68120.6 Ų120.636%0.35664%0.644SS.*PPolyproline II helixtrans-67.4129.9168.8-102.4144.4000108.3L321 T323 S327 T331L321-L329 HydrophobicContact CB-CB 3.98Å; L321-L329 HydrophobicContact CB-CD1 3.77Å; L321-L329 PolarHBondContact O-N 2.71Å; T323-L329 HydrophobicContact CG2-CG 4.1Å; S327-L329 PolarHBondContact O-N 3.15Å; L329-T331 PolarHBondContact O-N 3.03Å
330P74.6Confident82.6Confident121 Ų121116.3 Ų116.379%0.78664%0.635SS**PPolyproline II helixtrans-59.7128.2171.5-16.329.1000108.9
331T65.5Low82.5Confident203 Ų203116 Ų116100%1.24563%0.627SS**  trans-850172.150.40000111.5L329L329-T331 PolarHBondContact O-N 3.03Å

Retrieved 331 of 331 residues in 334.1 ms (Link to these results)

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