A0A087XZI0_POEFO Loading...

Protein phosphatase, Mg2+/Mn2+ dependent, 1Ba

AlphaFold DB , UniProt , Accession A0A087XZI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 362 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
1M43.5Very low73.5Confident239 Ų239112.2 Ų112.2100%1.17760%0.6SS**  0122.20-73.9179.8-161.200105.9
2G56.6Low73.2Confident52 Ų52111.3 Ų111.354%0.53659%0.586SS.*PPolyproline II helixtrans-64.8156.5178.100000111.2
3A75.9Confident73.4Confident69 Ų69110.4 Ų110.457%0.5758%0.577SS**PPolyproline II helixtrans-65.6142.1174.200000110.2V34A3-V34 HydrophobicContact CB-CG2 3.68Å; A3-V34 WeakPolarHBondContact O-CG2 3.2Å
4F82.6Confident73.4Confident120 Ų120110.4 Ų110.453%0.52658%0.578SS.*EExtended strand (participates in β ladder)trans-98.8147.5170.7-67.4-68.6000109.4W32F4-W32 CarbonylContact C-O 3.57Å; F4-W32 WeakPolarHBondContact CA-O 3.08Å; F4-W32 HydrophobicContact CD1-CB 3.94Å
5L81.7Confident73.6Confident44 Ų44106.4 Ų106.423%0.2356%0.563CS.*EExtended strand (participates in β ladder)trans-75.1154.2168.5-64.1171.5000110.5K7 K9 W32 R33 V34L5-K7 WeakPolarHBondContact CB-O 3.36Å; L5-K7 PolarHBondContact O-N 2.64Å; L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.83Å; L5-W32 PolarHBondContact N-O 3.47Å; L5-R33 VanDerWaalsContact CD1-O 3.23Å; L5-R33 WeakPolarHBondContact CD1-O 3.38Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 3.95Å; L5-V34 HydrophobicContact CG-CG2 4.26Å
6D84.4Confident74.3Confident164 Ų164109.5 Ų109.588%0.87757%0.573SS**EExtended strand (participates in β ladder)trans-64-29.3173-62.2-33.7000112.3
7K76Confident75.1Confident172 Ų172104.4 Ų104.475%0.74855%0.553SS**EExtended strand (participates in β ladder)trans-138.1145.2174.8-67.1179.8-177172.50110L5L5-K7 WeakPolarHBondContact CB-O 3.36Å; L5-K7 PolarHBondContact O-N 2.64Å
8P76.3Confident76Confident45 Ų45107.2 Ų107.229%0.29256%0.563SS.*EExtended strand (participates in β ladder)trans-71.3140.7179.529.4-32.1000110.7T10 G31 W32P8-T10 HydrophobicContact CB-CG2 4.38Å; P8-T10 HydrophobicContact CG-CG2 4.15Å; P8-T10 PolarHBondContact O-N 3.41Å; P8-G31 CarbonylContact C-O 3.54Å; P8-G31 VanDerWaalsContact CA-O 3.24Å; P8-G31 WeakPolarHBondContact CA-O 3.47Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.44Å; P8-W32 HydrophobicContact CB-CG 4.05Å; P8-W32 HydrophobicContact CB-CZ2 4.34Å; P8-W32 HydrophobicContact CG-CD2 4.28Å; P8-W32 HydrophobicContact CG-CH2 4.31Å; P8-W32 HydrophobicContact CG-CZ2 3.84Å
9K75.6Confident76.7Confident102 Ų102102.9 Ų102.944%0.44355%0.547SS..EExtended strand (participates in β ladder)trans-77.1109.8164.7-68.1-171.7-163.5166.10109L5 M29 Q30 G31L5-K9 HydrophobicContact CD1-CD 4.3Å; L5-K9 HydrophobicContact CD1-CG 3.83Å; K9-M29 WeakPolarHBondContact O-CG 3.48Å; K9-Q30 HydrophobicContact CB-CB 4.24Å; K9-Q30 VanDerWaalsContact NZ-NE2 3.2Å; K9-G31 PolarHBondContact N-O 2.98Å; K9-G31 WeakPolarHBondContact O-CA 3.44Å; K9-G31 PolarHBondContact O-N 3.15Å
10T79.1Confident77.4Confident92 Ų92101.7 Ų101.756%0.56454%0.541SS*.  trans-972.8-174.156.70000114.4P8 K12P8-T10 HydrophobicContact CB-CG2 4.38Å; P8-T10 HydrophobicContact CG-CG2 4.15Å; P8-T10 PolarHBondContact O-N 3.41Å; T10-K12 PolarHBondContact O-NZ 3.26Å
11E77.1Confident77.9Confident135 Ų13599.5 Ų99.563%0.63154%0.542SS*.  trans-55.8140.3173.5-171.8177.1172.200110.7H13 M29E11-H13 IonicContact OE1-CE1 2.82Å; E11-M29 WeakPolarHBondContact O-CG 3.36Å
12K69.4Low79.9Confident101 Ų10188.9 Ų88.944%0.43949%0.49SS..  trans-113.3128-178.8-61.2-61.8-175.4-69.90109.7T10 M29T10-K12 PolarHBondContact O-NZ 3.26Å; K12-M29 HydrophobicContact CD-CB 3.99Å; K12-M29 HydrophobicContact CD-CG 4.28Å; K12-M29 HydrophobicContact CD-SD 4.23Å; K12-M29 PolarHBondContact NZ-SD 3.32Å
13H76.1Confident81.2Confident100 Ų10094 Ų9446%0.46349%0.493SS..EExtended strand (participates in β ladder)trans-100.1110168-55.6-77.1000108.1E11 S27 S28E11-H13 IonicContact OE1-CE1 2.82Å; H13-S27 CarbonylContact O-C 3.55Å; H13-S27 WeakPolarHBondContact O-CA 3.46Å; H13-S28 PolarHBondContact N-O 3.09Å; H13-S28 PolarHBondContact O-N 3.44Å
14N73.8Confident81.7Confident110 Ų11091.8 Ų91.859%0.58847%0.471SS*.EExtended strand (participates in β ladder)trans-112.8148.2-174.2-58.8-45.5000111L26 S27N14-L26 VanDerWaalsContact CA-O 3.3Å; N14-L26 WeakPolarHBondContact CA-O 3.43Å; N14-S27 VanDerWaalsContact OD1-CB 3.22Å; N14-S27 WeakPolarHBondContact OD1-CB 3.32Å; N14-S27 PolarHBondContact OD1-OG 3.11Å
15S76.3Confident81.2Confident51 Ų5187.4 Ų87.436%0.35746%0.459SS..EExtended strand (participates in β ladder)trans-144.3156.5166.9-176.90000109.4G25 L26S15-G25 CarbonylContact O-C 3.58Å; S15-G25 WeakPolarHBondContact O-CA 3.28Å; S15-L26 PolarHBondContact N-O 2.68Å; S15-L26 PolarHBondContact O-N 2.75Å
16H84.9Confident81Confident156 Ų15685.8 Ų85.872%0.72245%0.451SS*.EExtended strand (participates in β ladder)trans-154.1162.8178.562.4-82.6000110F24H16-F24 VanDerWaalsContact CA-O 3.26Å; H16-F24 WeakPolarHBondContact CA-O 3.42Å; H16-F24 WeakPolarHBondContact CB-O 3.32Å
17G87.7Confident80.2Confident23 Ų2379.5 Ų79.524%0.23742%0.42CS..EExtended strand (participates in β ladder)trans-174.9172.4176.200000112.7R23 F24G17-R23 WeakPolarHBondContact O-CA 3.39Å; G17-F24 VanDerWaalsContact CA-CE1 3.44Å; G17-F24 PolarHBondContact N-O 2.8Å; G17-F24 VanDerWaalsContact N-O 3.13Å; G17-F24 WeakPolarHBondContact O-CD1 3.19Å; G17-F24 PolarHBondContact O-N 3.11Å
18E90.6Very high80Confident155 Ų15571.7 Ų71.772%0.72439%0.387SS*.EExtended strand (participates in β ladder)trans-143.7145.9178.964.4-179.6-160.200111.4L22 R23 L44E18-L22 VanDerWaalsContact CA-O 3.27Å; E18-L22 WeakPolarHBondContact CA-O 3.38Å; E18-R23 HydrophobicContact CB-CG 3.92Å; E18-L44 WeakPolarHBondContact O-CD1 3.15Å
19G90.1Very high80.2Confident26 Ų2670.9 Ų70.927%0.26838%0.38SS..EExtended strand (participates in β ladder)trans165.4154.2-174.200000111.2G21 L22G19-G21 PolarHBondContact O-N 3.29Å; G19-G21 VanDerWaalsContact O-N 3.11Å; G19-L22 PolarHBondContact N-O 3.32Å; G19-L22 WeakPolarHBondContact O-CA 3.41Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.43Å; G19-L22 PolarHBondContact O-N 3.37Å
20N90.2Very high80.6Confident78 Ų7867.2 Ų67.242%0.41736%0.364SS..THydrogen-bonded Turntrans52.332.5-178.1-57.7-7.5000114L22 G45 D53 W54N20-L22 PolarHBondContact O-N 3.25Å; N20-G45 PolarHBondContact ND2-N 2.87Å; N20-D53 WeakPolarHBondContact ND2-CA 3.43Å; N20-D53 PolarHBondContact ND2-O 2.97Å; N20-W54 PolarHBondContact ND2-O 2.93Å
21G87.9Confident80.9Confident56 Ų5662.9 Ų62.958%0.57734%0.338SS*.THydrogen-bonded Turntrans72.73.8-175.400000114.7G19 P274G19-G21 PolarHBondContact O-N 3.29Å; G19-G21 VanDerWaalsContact O-N 3.11Å; G21-P274 WeakPolarHBondContact O-CD 3.36Å; G21-P274 WeakPolarHBondContact O-CG 3.46Å
22L86.6Confident81.1Confident16 Ų1661.7 Ų61.78%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-99.1151.4178.1-53.1175.7000110.6E18 G19 N20 L44 F57 L152 V271 L273E18-L22 VanDerWaalsContact CA-O 3.27Å; E18-L22 WeakPolarHBondContact CA-O 3.38Å; G19-L22 PolarHBondContact N-O 3.32Å; G19-L22 WeakPolarHBondContact O-CA 3.41Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.43Å; G19-L22 PolarHBondContact O-N 3.37Å; N20-L22 PolarHBondContact O-N 3.25Å; L22-L44 HydrophobicContact CB-CD2 4.12Å; L22-L44 HydrophobicContact CD1-CD2 4.21Å; L22-F57 HydrophobicContact CD1-CE2 4.28Å; L22-L152 HydrophobicContact CD1-CD1 3.56Å; L22-L152 HydrophobicContact CD2-CD1 4.48Å; L22-V271 HydrophobicContact CB-CG1 4.43Å; L22-V271 HydrophobicContact CD1-CG1 4.48Å; L22-V271 HydrophobicContact CD2-CG1 4.33Å; L22-L273 HydrophobicContact CD2-CD2 3.55Å
23R83.9Confident81.7Confident159 Ų15959.9 Ų59.960%0.632%0.318SS*.EExtended strand (participates in β ladder)trans-124.2139.9161.8-74.5171.643.7-171.2-8.4108.4G17 E18 C272G17-R23 WeakPolarHBondContact O-CA 3.39Å; E18-R23 HydrophobicContact CB-CG 3.92Å; R23-C272 HydrophobicContact CB-CB 4.3Å; R23-C272 PolarHBondContact N-O 2.89Å; R23-C272 VanDerWaalsContact N-O 3.15Å; R23-C272 PolarHBondContact O-N 2.89Å
24F85.8Confident82.4Confident22 Ų2257.7 Ų57.710%0.09631%0.311CS..EExtended strand (participates in β ladder)trans-129.1153.4171.979.6-88.8000112.1H16 G17 L26 A42 L44 F57 L270 V271H16-F24 VanDerWaalsContact CA-O 3.26Å; H16-F24 WeakPolarHBondContact CA-O 3.42Å; H16-F24 WeakPolarHBondContact CB-O 3.32Å; G17-F24 VanDerWaalsContact CA-CE1 3.44Å; G17-F24 PolarHBondContact N-O 2.8Å; G17-F24 VanDerWaalsContact N-O 3.13Å; G17-F24 WeakPolarHBondContact O-CD1 3.19Å; G17-F24 PolarHBondContact O-N 3.11Å; F24-L26 HydrophobicContact CD2-CD2 4.32Å; F24-L26 HydrophobicContact CE2-CD2 3.93Å; F24-L26 HydrophobicContact CE2-CG 4.5Å; F24-A42 HydrophobicContact CD2-CB 4.13Å; F24-A42 HydrophobicContact CE2-CB 3.64Å; F24-A42 HydrophobicContact CZ-CB 3.89Å; F24-L44 HydrophobicContact CD1-CD1 3.81Å; F24-L44 HydrophobicContact CD1-CD2 4.43Å; F24-L44 HydrophobicContact CD1-CG 4.11Å; F24-L44 HydrophobicContact CE1-CD1 3.61Å; F24-L44 HydrophobicContact CE1-CG 4.01Å; F24-F57 HydrophobicContact CB-CD1 4.45Å; F24-F57 HydrophobicContact CB-CE1 3.65Å; F24-F57 HydrophobicContact CB-CZ 4Å; F24-F57 AromaticContact CD1-CE1 3.57Å; F24-F57 HydrophobicContact CD1-CE1 3.57Å; F24-F57 AromaticContact CD1-CZ 3.93Å; F24-F57 HydrophobicContact CD1-CZ 3.93Å; F24-F57 HydrophobicContact CD2-CE1 4.04Å; F24-F57 HydrophobicContact CE1-CE1 4.19Å; F24-F57 HydrophobicContact CG-CD1 4.39Å; F24-F57 AromaticContact CG-CE1 3.47Å; F24-F57 HydrophobicContact CG-CE1 3.47Å; F24-F57 VanDerWaalsContact CG-CE1 3.47Å; F24-F57 HydrophobicContact CG-CZ 4.1Å; F24-L270 CarbonylContact C-O 3.59Å; F24-L270 WeakPolarHBondContact CA-O 3.19Å; F24-V271 HydrophobicContact CB-CG2 4.31Å
25G72.3Confident83.4Confident28 Ų2858.2 Ų58.229%0.28931%0.31SS..EExtended strand (participates in β ladder)trans-137.2142.9164.200000108.9S15 L270S15-G25 CarbonylContact O-C 3.58Å; S15-G25 WeakPolarHBondContact O-CA 3.28Å; G25-L270 PolarHBondContact N-O 3.16Å; G25-L270 PolarHBondContact O-N 2.77Å
26L77Confident84.2Confident11 Ų1158 Ų586%0.05830%0.304CS..EExtended strand (participates in β ladder)trans-134.3153.8175.667.284.1000111N14 S15 F24 H40 A42 I268 V269N14-L26 VanDerWaalsContact CA-O 3.3Å; N14-L26 WeakPolarHBondContact CA-O 3.43Å; S15-L26 PolarHBondContact N-O 2.68Å; S15-L26 PolarHBondContact O-N 2.75Å; F24-L26 HydrophobicContact CD2-CD2 4.32Å; F24-L26 HydrophobicContact CE2-CD2 3.93Å; F24-L26 HydrophobicContact CE2-CG 4.5Å; L26-H40 VanDerWaalsContact CD1-NE2 3.31Å; L26-H40 WeakPolarHBondContact CD1-NE2 3.29Å; L26-H40 VanDerWaalsContact CD2-CD2 3.42Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.44Å; L26-A42 HydrophobicContact CD2-CB 3.76Å; L26-I268 VanDerWaalsContact CA-O 3.23Å; L26-I268 WeakPolarHBondContact CA-O 3.45Å; L26-I268 WeakPolarHBondContact CB-O 3.12Å; L26-V269 HydrophobicContact CB-CB 4.44Å; L26-V269 HydrophobicContact CB-CG2 3.94Å; L26-V269 HydrophobicContact CD2-CG2 4.49Å
27S66.7Low84.8Confident31 Ų3152.1 Ų52.122%0.21728%0.277CS..EExtended strand (participates in β ladder)trans-145.7137.1175.3-164.10000109.5H13 N14 S267 I268H13-S27 CarbonylContact O-C 3.55Å; H13-S27 WeakPolarHBondContact O-CA 3.46Å; N14-S27 VanDerWaalsContact OD1-CB 3.22Å; N14-S27 WeakPolarHBondContact OD1-CB 3.32Å; N14-S27 PolarHBondContact OD1-OG 3.11Å; S27-S267 WeakPolarHBondContact O-CA 3.18Å; S27-I268 PolarHBondContact N-O 3.16Å; S27-I268 VanDerWaalsContact N-O 3.11Å; S27-I268 PolarHBondContact O-N 3.47Å
28S72.6Confident85.1Confident9 Ų952 Ų526%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-127148.7167.971.20000111.8H13 M266 S267H13-S28 PolarHBondContact N-O 3.09Å; H13-S28 PolarHBondContact O-N 3.44Å; S28-M266 WeakPolarHBondContact CA-O 3.46Å; S28-S267 WeakPolarHBondContact CB-OG 3.25Å
29M80.3Confident85.4Confident27 Ų2745 Ų4513%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-147.4132.1-179.4-175.2-176.677.500110.7K9 E11 K12 M266K9-M29 WeakPolarHBondContact O-CG 3.48Å; E11-M29 WeakPolarHBondContact O-CG 3.36Å; K12-M29 HydrophobicContact CD-CB 3.99Å; K12-M29 HydrophobicContact CD-CG 4.28Å; K12-M29 HydrophobicContact CD-SD 4.23Å; K12-M29 PolarHBondContact NZ-SD 3.32Å; M29-M266 HydrophobicContact CE-CE 3.25Å; M29-M266 PolarHBondContact N-O 2.81Å; M29-M266 PolarHBondContact O-N 3.34Å
30Q84.4Confident85.7Confident26 Ų2646.8 Ų46.812%0.12124%0.241CC..  trans-65.3-42.5177.6-176.2175.1-33.800112.4K9 W32 R33 V34 M36 N265K9-Q30 HydrophobicContact CB-CB 4.24Å; K9-Q30 VanDerWaalsContact NZ-NE2 3.2Å; Q30-W32 PolarHBondContact O-N 3.3Å; Q30-R33 PolarHBondContact NE2-O 2.93Å; Q30-V34 PolarHBondContact NE2-O 3.4Å; Q30-M36 HydrophobicContact CB-CB 4.1Å; Q30-M36 HydrophobicContact CB-SD 4.18Å; Q30-M36 HydrophobicContact CG-CB 3.98Å; Q30-N265 PolarHBondContact O-ND2 3.32Å
31G84.4Confident86.1Confident1 Ų143.7 Ų43.71%0.0123%0.225CC..EExtended strand (participates in β ladder)trans67.9-132178.600000112.1P8 K9P8-G31 CarbonylContact C-O 3.54Å; P8-G31 VanDerWaalsContact CA-O 3.24Å; P8-G31 WeakPolarHBondContact CA-O 3.47Å; K9-G31 PolarHBondContact N-O 2.98Å; K9-G31 WeakPolarHBondContact O-CA 3.44Å; K9-G31 PolarHBondContact O-N 3.15Å
32W81Confident86.4Confident109 Ų10942.5 Ų42.541%0.41321%0.21SC..EExtended strand (participates in β ladder)trans-84.5-10.9-171.5-69.894.1000114.6F4 L5 P8 Q30F4-W32 CarbonylContact C-O 3.57Å; F4-W32 WeakPolarHBondContact CA-O 3.08Å; F4-W32 HydrophobicContact CD1-CB 3.94Å; L5-W32 PolarHBondContact N-O 3.47Å; P8-W32 HydrophobicContact CB-CD2 3.88Å; P8-W32 HydrophobicContact CB-CE3 4.44Å; P8-W32 HydrophobicContact CB-CG 4.05Å; P8-W32 HydrophobicContact CB-CZ2 4.34Å; P8-W32 HydrophobicContact CG-CD2 4.28Å; P8-W32 HydrophobicContact CG-CH2 4.31Å; P8-W32 HydrophobicContact CG-CZ2 3.84Å; Q30-W32 PolarHBondContact O-N 3.3Å
33R83.3Confident86.8Confident64 Ų6444.1 Ų44.124%0.24222%0.22CC..EExtended strand (participates in β ladder)trans-74.9148.7-179.1-62.2-61.7-174.779.3-2.9110.7L5 Q30 E35 D264 N265L5-R33 VanDerWaalsContact CD1-O 3.23Å; L5-R33 WeakPolarHBondContact CD1-O 3.38Å; Q30-R33 PolarHBondContact NE2-O 2.93Å; R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 VanDerWaalsContact CB-O 3.25Å; R33-E35 WeakPolarHBondContact CB-O 3.24Å; R33-D264 VanDerWaalsContact CZ-CG 3.45Å; R33-D264 IonicContact CZ-OD1 3.52Å; R33-D264 IonicContact CZ-OD2 2.8Å; R33-D264 IonicContact NE-OD1 2.88Å; R33-D264 IonicContact NH1-OD1 2.79Å; R33-D264 PolarHBondContact NH1-OD1 3.47Å; R33-D264 IonicContact NH1-OD2 2.85Å; R33-D264 IonicContact NH2-OD1 3.58Å; R33-D264 PolarHBondContact NH2-OD1 2.83Å; R33-D264 IonicContact NH2-OD2 2.82Å; R33-D264 PolarHBondContact NH2-OD2 3.03Å; R33-N265 WeakPolarHBondContact CB-ND2 3.38Å
34V90.6Very high87.3Confident53 Ų5338.7 Ų38.732%0.32120%0.203SC..SBendtrans-66.6-35.6174.6173.50000111.6A3 L5 Q30A3-V34 HydrophobicContact CB-CG2 3.68Å; A3-V34 WeakPolarHBondContact O-CG2 3.2Å; L5-V34 HydrophobicContact CD2-CB 4.48Å; L5-V34 HydrophobicContact CD2-CG2 3.95Å; L5-V34 HydrophobicContact CG-CG2 4.26Å; Q30-V34 PolarHBondContact NE2-O 3.4Å
35E93.9Very high87.7Confident121 Ų12138.2 Ų38.257%0.56520%0.204SC*.SBendtrans-115.8156.8178.7-59-55.6148.600111.6R33 E37 N265R33-E35 VanDerWaalsContact C-N 3.3Å; R33-E35 VanDerWaalsContact CB-O 3.25Å; R33-E35 WeakPolarHBondContact CB-O 3.24Å; E35-E37 HydrophobicContact CB-CG 4.28Å; E35-N265 PolarHBondContact O-ND2 2.76Å; E35-N265 VanDerWaalsContact O-ND2 3.16Å; E35-N265 PolarHBondContact O-OD1 2.87Å
36M94.1Very high88.7Confident46 Ų4636.9 Ų36.923%0.22719%0.191CC..  trans-105.7107.3170.7178.860.5175.900108.3Q30 D38 N265Q30-M36 HydrophobicContact CB-CB 4.1Å; Q30-M36 HydrophobicContact CB-SD 4.18Å; Q30-M36 HydrophobicContact CG-CB 3.98Å; M36-D38 HydrophobicContact CE-CB 3.61Å; M36-D38 HydrophobicContact SD-CB 4.36Å; M36-N265 HydrophobicContact SD-CB 4.02Å
37E96.9Very high89.2Confident34 Ų3445.1 Ų45.116%0.15923%0.229CC..  trans-103.6-13.4-175.4-58.9-173.8143.600113E35 G62 H63 A64 G65 A69 N265E35-E37 HydrophobicContact CB-CG 4.28Å; E37-G62 VanDerWaalsContact CB-O 3.31Å; E37-G62 WeakPolarHBondContact CB-O 3.44Å; E37-H63 WeakPolarHBondContact OE2-CA 3.3Å; E37-A64 PolarHBondContact OE2-N 3.24Å; E37-G65 VanDerWaalsContact OE1-CA 3.23Å; E37-G65 WeakPolarHBondContact OE1-CA 3.31Å; E37-G65 PolarHBondContact OE1-N 3.3Å; E37-A69 WeakPolarHBondContact O-CB 3.45Å; E37-N265 PolarHBondContact N-OD1 3.4Å; E37-N265 VanDerWaalsContact N-OD1 3.1Å
38D93.5Very high90.2Very high19 Ų1944 Ų4410%0.10222%0.222CC..  trans-69.1148.7176.8-58.50000113.1M36 Y60 N265 M266 S267M36-D38 HydrophobicContact CE-CB 3.61Å; M36-D38 HydrophobicContact SD-CB 4.36Å; D38-Y60 CarbonylContact C-O 3.47Å; D38-Y60 VanDerWaalsContact CA-O 3.23Å; D38-Y60 WeakPolarHBondContact CA-O 2.86Å; D38-N265 VanDerWaalsContact OD1-CB 3.24Å; D38-N265 WeakPolarHBondContact OD1-CB 3.24Å; D38-M266 PolarHBondContact OD2-N 3.23Å; D38-S267 WeakPolarHBondContact CB-OG 3.31Å; D38-S267 WeakPolarHBondContact OD2-CB 3.36Å; D38-S267 PolarHBondContact OD2-N 3.38Å; D38-S267 PolarHBondContact OD2-OG 3.08Å
39A97.9Very high90.8Very high10 Ų1047.2 Ų47.28%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-136.3171.2166.600000111.3Y60 A69A39-Y60 HydrophobicContact CB-CD2 4.26Å; A39-Y60 PolarHBondContact N-O 3.28Å; A39-Y60 PolarHBondContact O-N 3.32Å; A39-A69 HydrophobicContact CB-CB 4.24Å
40H96.7Very high91Very high62 Ų6246.7 Ų46.729%0.28724%0.243SC..EExtended strand (participates in β ladder)trans-150.2158.1176.759.4-93000112.4L26 A58L26-H40 VanDerWaalsContact CD1-NE2 3.31Å; L26-H40 WeakPolarHBondContact CD1-NE2 3.29Å; L26-H40 VanDerWaalsContact CD2-CD2 3.42Å; L26-H40 WeakPolarHBondContact CD2-CD2 3.44Å; H40-A58 CarbonylContact C-O 3.6Å; H40-A58 WeakPolarHBondContact CA-O 3.39Å; H40-A58 WeakPolarHBondContact CB-O 3.47Å
41T97.9Very high91.3Very high13 Ų1345.5 Ų45.58%0.0824%0.238CC..EExtended strand (participates in β ladder)trans-123.1135.5170.2-51.80000108.5V43 F56 F57 A58 Y60 S73T41-V43 HydrophobicContact CG2-CG2 3.86Å; T41-F56 HydrophobicContact CG2-CD1 3.73Å; T41-F56 HydrophobicContact CG2-CE1 3.94Å; T41-F57 CarbonylContact O-C 3.5Å; T41-F57 VanDerWaalsContact O-CA 3.31Å; T41-F57 WeakPolarHBondContact O-CA 3.21Å; T41-A58 PolarHBondContact N-O 3.42Å; T41-A58 PolarHBondContact O-N 3.42Å; T41-Y60 VanDerWaalsContact OG1-CE2 3.27Å; T41-Y60 WeakPolarHBondContact OG1-CE2 2.86Å; T41-Y60 PolarHBondContact OG1-OH 3.21Å; T41-S73 WeakPolarHBondContact OG1-CA 3.31Å; T41-S73 PolarHBondContact OG1-O 2.99Å
42A94.1Very high91.6Very high32 Ų3249.9 Ų49.926%0.26427%0.265SS..EExtended strand (participates in β ladder)trans-141.8108171.700000109F24 L26 F57F24-A42 HydrophobicContact CD2-CB 4.13Å; F24-A42 HydrophobicContact CE2-CB 3.64Å; F24-A42 HydrophobicContact CZ-CB 3.89Å; L26-A42 HydrophobicContact CD2-CB 3.76Å; A42-F57 HydrophobicContact CB-CD1 3.71Å; A42-F57 HydrophobicContact CB-CE1 3.9Å
43V96.5Very high92.1Very high49 Ų4948.3 Ų48.330%0.29726%0.264SS..EExtended strand (participates in β ladder)trans-129.7123.6-176.5-179.10000109T41 L46 S55 F56 L77T41-V43 HydrophobicContact CG2-CG2 3.86Å; V43-L46 HydrophobicContact CB-CD2 4.35Å; V43-L46 HydrophobicContact CG1-CD2 3.82Å; V43-S55 CarbonylContact O-C 3.6Å; V43-S55 VanDerWaalsContact O-CA 3.32Å; V43-S55 WeakPolarHBondContact O-CA 3.41Å; V43-S55 WeakPolarHBondContact O-CB 3.44Å; V43-F56 PolarHBondContact N-O 3.03Å; V43-F56 PolarHBondContact O-N 3.19Å; V43-L77 HydrophobicContact CB-CD2 4.15Å; V43-L77 HydrophobicContact CG1-CD2 4.37Å; V43-L77 HydrophobicContact CG2-CD2 3.91Å
44L94.1Very high92.7Very high46 Ų4645.6 Ų45.624%0.24125%0.254CS..EExtended strand (participates in β ladder)trans-103129.5169.3-67.3166.7000108.2E18 L22 F24 F57E18-L44 WeakPolarHBondContact O-CD1 3.15Å; L22-L44 HydrophobicContact CB-CD2 4.12Å; L22-L44 HydrophobicContact CD1-CD2 4.21Å; F24-L44 HydrophobicContact CD1-CD1 3.81Å; F24-L44 HydrophobicContact CD1-CD2 4.43Å; F24-L44 HydrophobicContact CD1-CG 4.11Å; F24-L44 HydrophobicContact CE1-CD1 3.61Å; F24-L44 HydrophobicContact CE1-CG 4.01Å; L44-F57 HydrophobicContact CD2-CE2 4.46Å; L44-F57 HydrophobicContact CD2-CZ 3.75Å; L44-F57 HydrophobicContact CG-CZ 4.31Å
45G93.2Very high93Very high11 Ų1143.1 Ų43.111%0.11324%0.239CC..SBendtrans70.591.9-179.900000113.3N20 Q47 T52 W54N20-G45 PolarHBondContact ND2-N 2.87Å; G45-Q47 PolarHBondContact O-N 3.34Å; G45-Q47 PolarHBondContact O-NE2 3.4Å; G45-T52 WeakPolarHBondContact CA-O 3.48Å; G45-W54 CarbonylContact C-O 3.45Å; G45-W54 WeakPolarHBondContact CA-O 3.35Å; G45-W54 PolarHBondContact N-O 3.05Å
46L93.3Very high93.2Very high1 Ų137.4 Ų37.41%0.00521%0.212CC..  trans-68.7132.4-179.9-53.1-175.9000111.1V43 A48 M51 T52 W54 F56 L77 I81 L151V43-L46 HydrophobicContact CB-CD2 4.35Å; V43-L46 HydrophobicContact CG1-CD2 3.82Å; L46-A48 PolarHBondContact O-N 3.46Å; L46-M51 HydrophobicContact CB-CB 4.21Å; L46-M51 WeakPolarHBondContact CB-O 3.28Å; L46-M51 HydrophobicContact CD1-CB 4.36Å; L46-M51 HydrophobicContact CD1-CE 4.04Å; L46-T52 WeakPolarHBondContact O-CA 3.48Å; L46-W54 HydrophobicContact CD1-CB 3.68Å; L46-W54 HydrophobicContact CG-CB 3.85Å; L46-W54 PolarHBondContact N-O 2.92Å; L46-W54 VanDerWaalsContact N-O 3.08Å; L46-F56 HydrophobicContact CD2-CB 4.1Å; L46-L77 HydrophobicContact CD1-CD1 4.38Å; L46-L77 HydrophobicContact CD2-CD1 4.17Å; L46-L77 HydrophobicContact CD2-CD2 3.86Å; L46-I81 HydrophobicContact CB-CD1 4.34Å; L46-I81 HydrophobicContact CD1-CD1 4.06Å; L46-I81 HydrophobicContact CD1-CG1 4.41Å; L46-L151 HydrophobicContact CD1-CD1 3.69Å
47Q88.4Confident93.4Very high184 Ų18435.4 Ų35.486%0.8620%0.203SC*.SBendtrans-81.159.8176.1-58.4-60-55.400110.4G45G45-Q47 PolarHBondContact O-N 3.34Å; G45-Q47 PolarHBondContact O-NE2 3.4Å
48A87Confident93.4Very high8 Ų834 Ų347%0.06620%0.197CC..SBendtrans-140.3143.1-177.600000111.2L46 G50 M51 I81 L85L46-A48 PolarHBondContact O-N 3.46Å; A48-G50 PolarHBondContact O-N 2.93Å; A48-M51 HydrophobicContact CB-CB 4.23Å; A48-M51 HydrophobicContact CB-SD 4.38Å; A48-M51 PolarHBondContact O-N 3.29Å; A48-I81 HydrophobicContact CB-CD1 4.3Å; A48-I81 HydrophobicContact CB-CG2 3.49Å; A48-I81 VanDerWaalsContact CB-CG2 3.49Å; A48-L85 HydrophobicContact CB-CD1 4.23Å
49P84.7Confident93.5Very high75 Ų7534.1 Ų34.149%0.48720%0.198SC..THydrogen-bonded Turntrans-55.7130.1-180-2432.7000112.4M51 L107P49-M51 PolarHBondContact O-N 3.42Å; P49-L107 HydrophobicContact CB-CB 4.41Å; P49-L107 HydrophobicContact CB-CD1 3.58Å; P49-L107 HydrophobicContact CG-CD1 4.46Å
50G84.8Confident93.6Very high16 Ų1633.6 Ų33.617%0.16519%0.194CC..THydrogen-bonded Turntrans71.39.4-179.400000115.2A48 L107A48-G50 PolarHBondContact O-N 2.93Å; G50-L107 WeakPolarHBondContact CA-O 3.15Å
51M90.5Very high93.6Very high1 Ų132.5 Ų32.51%0.00519%0.19CC..  trans-131.516.4-177.5-54.6-178.783.300113.8L46 A48 P49 D53 W54 L85 P110 L151L46-M51 HydrophobicContact CB-CB 4.21Å; L46-M51 WeakPolarHBondContact CB-O 3.28Å; L46-M51 HydrophobicContact CD1-CB 4.36Å; L46-M51 HydrophobicContact CD1-CE 4.04Å; A48-M51 HydrophobicContact CB-CB 4.23Å; A48-M51 HydrophobicContact CB-SD 4.38Å; A48-M51 PolarHBondContact O-N 3.29Å; P49-M51 PolarHBondContact O-N 3.42Å; M51-D53 PolarHBondContact O-N 3.48Å; M51-W54 HydrophobicContact CB-CB 4.16Å; M51-W54 HydrophobicContact CB-CD2 4.31Å; M51-W54 HydrophobicContact CB-CG 3.86Å; M51-W54 HydrophobicContact CE-CD2 3.66Å; M51-W54 HydrophobicContact CE-CE3 3.37Å; M51-W54 HydrophobicContact CE-CG 4.29Å; M51-W54 HydrophobicContact CE-CH2 4.23Å; M51-W54 HydrophobicContact CE-CZ2 4.45Å; M51-W54 HydrophobicContact CE-CZ3 3.69Å; M51-W54 HydrophobicContact CG-CD2 4.33Å; M51-W54 HydrophobicContact CG-CG 4.38Å; M51-W54 VanDerWaalsContact O-CB 3.24Å; M51-W54 WeakPolarHBondContact O-CB 3.49Å; M51-W54 PolarHBondContact O-N 2.94Å; M51-L85 HydrophobicContact SD-CD2 4.35Å; M51-P110 HydrophobicContact CE-CG 4.23Å; M51-P110 HydrophobicContact CG-CG 4.28Å; M51-P110 HydrophobicContact SD-CG 4.21Å; M51-L151 HydrophobicContact CE-CD2 4.36Å
52T91.4Very high93.6Very high94 Ų9432 Ų3258%0.57719%0.187SC*.THydrogen-bonded Turntrans-65.1-24.8-175.848.70000114.2G45 L46G45-T52 WeakPolarHBondContact CA-O 3.48Å; L46-T52 WeakPolarHBondContact O-CA 3.48Å
53D92.2Very high93.7Very high76 Ų7632.3 Ų32.341%0.40618%0.183SC..THydrogen-bonded Turntrans-92.75.7173.553.6-8.9000113.1N20 M51 P154N20-D53 WeakPolarHBondContact ND2-CA 3.43Å; N20-D53 PolarHBondContact ND2-O 2.97Å; M51-D53 PolarHBondContact O-N 3.48Å; D53-P154 HydrophobicContact CB-CG 4.2Å; D53-P154 VanDerWaalsContact CG-CG 3.48Å; D53-P154 WeakPolarHBondContact OD2-CG 3.2Å
54W95.6Very high93.6Very high6 Ų633.2 Ų33.22%0.02320%0.196CC..  trans-88.8156.1176-65.145.7000111.4N20 G45 L46 M51 P109 P110 V115 L151 L152 S153 F158N20-W54 PolarHBondContact ND2-O 2.93Å; G45-W54 CarbonylContact C-O 3.45Å; G45-W54 WeakPolarHBondContact CA-O 3.35Å; G45-W54 PolarHBondContact N-O 3.05Å; L46-W54 HydrophobicContact CD1-CB 3.68Å; L46-W54 HydrophobicContact CG-CB 3.85Å; L46-W54 PolarHBondContact N-O 2.92Å; L46-W54 VanDerWaalsContact N-O 3.08Å; M51-W54 HydrophobicContact CB-CB 4.16Å; M51-W54 HydrophobicContact CB-CD2 4.31Å; M51-W54 HydrophobicContact CB-CG 3.86Å; M51-W54 HydrophobicContact CE-CD2 3.66Å; M51-W54 HydrophobicContact CE-CE3 3.37Å; M51-W54 HydrophobicContact CE-CG 4.29Å; M51-W54 HydrophobicContact CE-CH2 4.23Å; M51-W54 HydrophobicContact CE-CZ2 4.45Å; M51-W54 HydrophobicContact CE-CZ3 3.69Å; M51-W54 HydrophobicContact CG-CD2 4.33Å; M51-W54 HydrophobicContact CG-CG 4.38Å; M51-W54 VanDerWaalsContact O-CB 3.24Å; M51-W54 WeakPolarHBondContact O-CB 3.49Å; M51-W54 PolarHBondContact O-N 2.94Å; W54-P109 HydrophobicContact CZ2-CB 4.41Å; W54-P110 HydrophobicContact CH2-CG 4.17Å; W54-P110 HydrophobicContact CZ2-CG 4.11Å; W54-V115 HydrophobicContact CH2-CG2 3.74Å; W54-V115 HydrophobicContact CZ3-CG1 4.23Å; W54-V115 HydrophobicContact CZ3-CG2 4.15Å; W54-L151 HydrophobicContact CE3-CD1 3.9Å; W54-L151 HydrophobicContact CE3-CD2 3.98Å; W54-L151 HydrophobicContact CE3-CG 3.7Å; W54-L151 HydrophobicContact CZ3-CD2 3.78Å; W54-L151 HydrophobicContact CZ3-CG 3.88Å; W54-L152 CarbonylContact C-O 3.4Å; W54-L152 WeakPolarHBondContact CA-O 3.37Å; W54-L152 VanDerWaalsContact CB-O 3.29Å; W54-L152 WeakPolarHBondContact CB-O 3.22Å; W54-S153 VanDerWaalsContact CD2-CB 3.48Å; W54-F158 AromaticContact CH2-CE2 3.78Å; W54-F158 HydrophobicContact CH2-CE2 3.78Å; W54-F158 HydrophobicContact CH2-CZ 4.49Å; W54-F158 HydrophobicContact CZ3-CD2 4.06Å; W54-F158 AromaticContact CZ3-CE2 3.74Å; W54-F158 HydrophobicContact CZ3-CE2 3.74Å
55S96.8Very high93.7Very high1 Ų131.8 Ų31.81%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-133.9152.5175.3-57.80000110.8V43 L152V43-S55 CarbonylContact O-C 3.6Å; V43-S55 VanDerWaalsContact O-CA 3.32Å; V43-S55 WeakPolarHBondContact O-CA 3.41Å; V43-S55 WeakPolarHBondContact O-CB 3.44Å; S55-L152 PolarHBondContact N-O 3.36Å; S55-L152 PolarHBondContact O-N 2.92Å
56F97.8Very high93.9Very high2 Ų233.6 Ų33.61%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-135.3130.6179.8179.7-106.4000111.3T41 V43 L46 A58 L77 I80 I150 L151 I160T41-F56 HydrophobicContact CG2-CD1 3.73Å; T41-F56 HydrophobicContact CG2-CE1 3.94Å; V43-F56 PolarHBondContact N-O 3.03Å; V43-F56 PolarHBondContact O-N 3.19Å; L46-F56 HydrophobicContact CD2-CB 4.1Å; F56-A58 HydrophobicContact CE1-CB 3.76Å; F56-A58 HydrophobicContact CZ-CB 3.67Å; F56-L77 HydrophobicContact CB-CD1 3.74Å; F56-L77 HydrophobicContact CB-CD2 4.07Å; F56-L77 HydrophobicContact CD1-CB 3.95Å; F56-L77 HydrophobicContact CD1-CD1 3.78Å; F56-L77 HydrophobicContact CD1-CD2 3.88Å; F56-L77 HydrophobicContact CD1-CG 4.08Å; F56-L77 HydrophobicContact CD2-CD1 4.11Å; F56-L77 HydrophobicContact CE1-CB 4.03Å; F56-L77 HydrophobicContact CE1-CD1 4.38Å; F56-L77 HydrophobicContact CG-CD1 3.61Å; F56-L77 HydrophobicContact CG-CD2 4.25Å; F56-L77 HydrophobicContact CG-CG 4.37Å; F56-I80 HydrophobicContact CE2-CD1 4.48Å; F56-I150 WeakPolarHBondContact CA-O 3.14Å; F56-L151 HydrophobicContact CB-CD1 4.18Å; F56-L151 HydrophobicContact CD2-CB 4.1Å; F56-L151 HydrophobicContact CD2-CD1 4.17Å; F56-I160 HydrophobicContact CE2-CD1 4.08Å
57F97.3Very high94.1Very high4 Ų437.2 Ų37.22%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-131.3137.2175.7-57.9-84.6000109.6L22 F24 T41 A42 L44 G149 I150 L152 V269 V271L22-F57 HydrophobicContact CD1-CE2 4.28Å; F24-F57 HydrophobicContact CB-CD1 4.45Å; F24-F57 HydrophobicContact CB-CE1 3.65Å; F24-F57 HydrophobicContact CB-CZ 4Å; F24-F57 AromaticContact CD1-CE1 3.57Å; F24-F57 HydrophobicContact CD1-CE1 3.57Å; F24-F57 AromaticContact CD1-CZ 3.93Å; F24-F57 HydrophobicContact CD1-CZ 3.93Å; F24-F57 HydrophobicContact CD2-CE1 4.04Å; F24-F57 HydrophobicContact CE1-CE1 4.19Å; F24-F57 HydrophobicContact CG-CD1 4.39Å; F24-F57 AromaticContact CG-CE1 3.47Å; F24-F57 HydrophobicContact CG-CE1 3.47Å; F24-F57 VanDerWaalsContact CG-CE1 3.47Å; F24-F57 HydrophobicContact CG-CZ 4.1Å; T41-F57 CarbonylContact O-C 3.5Å; T41-F57 VanDerWaalsContact O-CA 3.31Å; T41-F57 WeakPolarHBondContact O-CA 3.21Å; A42-F57 HydrophobicContact CB-CD1 3.71Å; A42-F57 HydrophobicContact CB-CE1 3.9Å; L44-F57 HydrophobicContact CD2-CE2 4.46Å; L44-F57 HydrophobicContact CD2-CZ 3.75Å; L44-F57 HydrophobicContact CG-CZ 4.31Å; F57-G149 CarbonylContact O-C 3.6Å; F57-G149 WeakPolarHBondContact O-CA 3.38Å; F57-I150 HydrophobicContact CB-CG2 3.99Å; F57-I150 HydrophobicContact CD2-CG2 4.15Å; F57-I150 PolarHBondContact N-O 3.2Å; F57-I150 PolarHBondContact O-N 3.46Å; F57-L152 HydrophobicContact CD2-CD1 4.05Å; F57-L152 HydrophobicContact CE2-CD1 3.91Å; F57-V269 HydrophobicContact CB-CG1 4.09Å; F57-V269 HydrophobicContact CD1-CG1 3.83Å; F57-V269 HydrophobicContact CG-CG1 4.22Å; F57-V271 HydrophobicContact CB-CG2 4.43Å; F57-V271 HydrophobicContact CD1-CG2 4.1Å; F57-V271 HydrophobicContact CD2-CG2 3.65Å; F57-V271 HydrophobicContact CE1-CG2 4.27Å; F57-V271 HydrophobicContact CE2-CG1 4.09Å; F57-V271 HydrophobicContact CE2-CG2 3.83Å; F57-V271 HydrophobicContact CG-CG2 3.78Å; F57-V271 HydrophobicContact CZ-CG1 4.49Å; F57-V271 HydrophobicContact CZ-CG2 4.13Å
58A97.8Very high94.6Very high5 Ų528.5 Ų28.54%0.04118%0.176CC..EExtended strand (participates in β ladder)trans-151151.3177.100000112.3H40 T41 F56 Y60 V148H40-A58 CarbonylContact C-O 3.6Å; H40-A58 WeakPolarHBondContact CA-O 3.39Å; H40-A58 WeakPolarHBondContact CB-O 3.47Å; T41-A58 PolarHBondContact N-O 3.42Å; T41-A58 PolarHBondContact O-N 3.42Å; F56-A58 HydrophobicContact CE1-CB 3.76Å; F56-A58 HydrophobicContact CZ-CB 3.67Å; A58-Y60 HydrophobicContact CB-CE1 4.3Å; A58-Y60 HydrophobicContact CB-CE2 3.83Å; A58-Y60 WeakPolarHBondContact CB-OH 3.46Å; A58-V148 CarbonylContact C-O 3.54Å; A58-V148 WeakPolarHBondContact CA-O 3.35Å
59V96.5Very high95.1Very high20 Ų2028.1 Ų28.112%0.12117%0.173CC..EExtended strand (participates in β ladder)trans-121.1138.7170.6177.20000107.9V148 V269V59-V148 HydrophobicContact CB-CG1 4.1Å; V59-V148 PolarHBondContact N-O 3.45Å; V59-V148 PolarHBondContact O-N 3.07Å; V59-V269 HydrophobicContact CG2-CB 4.47Å; V59-V269 HydrophobicContact CG2-CG2 3.72Å
60Y98.4Very high95.8Very high0 Ų027 Ų270%017%0.165CC..EExtended strand (participates in β ladder)trans-124.8115.2179.9-48.5-88.9000107.5D38 A39 T41 A58 C72 L76 T146 A147D38-Y60 CarbonylContact C-O 3.47Å; D38-Y60 VanDerWaalsContact CA-O 3.23Å; D38-Y60 WeakPolarHBondContact CA-O 2.86Å; A39-Y60 HydrophobicContact CB-CD2 4.26Å; A39-Y60 PolarHBondContact N-O 3.28Å; A39-Y60 PolarHBondContact O-N 3.32Å; T41-Y60 VanDerWaalsContact OG1-CE2 3.27Å; T41-Y60 WeakPolarHBondContact OG1-CE2 2.86Å; T41-Y60 PolarHBondContact OG1-OH 3.21Å; A58-Y60 HydrophobicContact CB-CE1 4.3Å; A58-Y60 HydrophobicContact CB-CE2 3.83Å; A58-Y60 WeakPolarHBondContact CB-OH 3.46Å; Y60-C72 HydrophobicContact CD1-CB 3.62Å; Y60-C72 HydrophobicContact CE1-CB 3.62Å; Y60-C72 HydrophobicContact CG-CB 4.31Å; Y60-C72 PolarHBondContact OH-O 2.77Å; Y60-L76 HydrophobicContact CE1-CB 4.5Å; Y60-L76 HydrophobicContact CE1-CD2 3.68Å; Y60-T146 WeakPolarHBondContact CA-O 3.49Å; Y60-A147 HydrophobicContact CD1-CB 3.72Å; Y60-A147 HydrophobicContact CE1-CB 3.86Å
61D97.2Very high96.4Very high39 Ų3927.8 Ų27.821%0.20916%0.163CC..  trans-92112.1173.6-172.3-22000106.7S145 T146D61-S145 CarbonylContact O-C 3.48Å; D61-S145 WeakPolarHBondContact O-CA 2.98Å; D61-S145 WeakPolarHBondContact O-CB 3.38Å; D61-S145 PolarHBondContact O-OG 3.24Å; D61-T146 HydrophobicContact CB-CG2 4.05Å; D61-T146 WeakPolarHBondContact CB-OG1 3.47Å; D61-T146 PolarHBondContact N-OG1 3.24Å; D61-T146 PolarHBondContact O-N 2.85Å
62G97.6Very high96.8Very high2 Ų227.8 Ų27.82%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-89.1146.8-178.400000110.9E37E37-G62 VanDerWaalsContact CB-O 3.31Å; E37-G62 WeakPolarHBondContact CB-O 3.44Å
63H96.7Very high97.1Very high38 Ų3824.3 Ų24.318%0.17614%0.143CC..EExtended strand (participates in β ladder)trans-137.8146.1172.759-104.7000111.5E37 G65 S143 G144 D217E37-H63 WeakPolarHBondContact OE2-CA 3.3Å; H63-G65 PolarHBondContact O-N 3.06Å; H63-S143 CarbonylContact O-C 3.56Å; H63-S143 WeakPolarHBondContact O-CA 3.5Å; H63-S143 WeakPolarHBondContact O-CB 3.4Å; H63-G144 PolarHBondContact N-O 3.48Å; H63-G144 WeakPolarHBondContact NE2-CA 3.36Å; H63-G144 PolarHBondContact O-N 3.23Å; H63-D217 IonicContact CD2-OD1 3.57Å; H63-D217 IonicContact CE1-OD1 3.88Å; H63-D217 IonicContact CE1-OD2 3.18Å; H63-D217 PolarHBondContact CE1-OD2 3.29Å; H63-D217 IonicContact NE2-OD1 2.79Å; H63-D217 PolarHBondContact NE2-OD1 2.66Å; H63-D217 IonicContact NE2-OD2 2.85Å; H63-D217 PolarHBondContact NE2-OD2 2.97Å
64A95.4Very high97.4Very high68 Ų6827.4 Ų27.456%0.56215%0.153SC*.SBendtrans59.234.5-179.200000113.4E37 S143E37-A64 PolarHBondContact OE2-N 3.24Å; A64-S143 WeakPolarHBondContact O-CA 3.24Å; A64-S143 WeakPolarHBondContact O-CB 3.1Å; A64-S143 PolarHBondContact O-N 2.99Å
65G95.3Very high97.5Very high16 Ų1629.7 Ų29.717%0.16516%0.163CC..  trans125.1154.6-175.700000111.9E37 H63 S143E37-G65 VanDerWaalsContact OE1-CA 3.23Å; E37-G65 WeakPolarHBondContact OE1-CA 3.31Å; E37-G65 PolarHBondContact OE1-N 3.3Å; H63-G65 PolarHBondContact O-N 3.06Å; G65-S143 WeakPolarHBondContact O-CB 3.36Å
66S96.8Very high97.6Very high50 Ų5029.8 Ų29.835%0.3516%0.164SC..SBendtrans-93.8-0.3179.464.30000113.7V68 A69 T70S66-V68 PolarHBondContact O-N 3.42Å; S66-A69 PolarHBondContact O-N 2.97Å; S66-T70 WeakPolarHBondContact O-CB 3.48Å; S66-T70 PolarHBondContact O-N 3.34Å; S66-T70 PolarHBondContact O-OG1 3.18Å
67R97.7Very high97.6Very high77 Ų7730.6 Ų30.629%0.29117%0.168SC..Hα-helixtrans-61.8-47.6-16917766.6178.997.2-0.4112.7Y71 D135 D141R67-Y71 WeakPolarHBondContact O-CB 3.46Å; R67-Y71 PolarHBondContact O-N 3.49Å; R67-Y71 VanDerWaalsContact O-N 3.15Å; R67-D135 IonicContact NE-OD2 3.15Å; R67-D135 PolarHBondContact NE-OD2 3.41Å; R67-D135 VanDerWaalsContact NE-OD2 3.15Å; R67-D141 WeakPolarHBondContact CB-OD2 3.3Å
68V98.6Very high97.5Very high0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-68.2-49.2178.3170.10000111.1S66 T70 Y71 C72 M130 L136 S143 L215S66-V68 PolarHBondContact O-N 3.42Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.41Å; V68-Y71 PolarHBondContact O-N 3.46Å; V68-Y71 VanDerWaalsContact O-N 3.15Å; V68-C72 PolarHBondContact O-N 2.96Å; V68-C72 PolarHBondContact O-SG 3.29Å; V68-M130 HydrophobicContact CG1-CE 3.98Å; V68-M130 HydrophobicContact CG1-SD 4.17Å; V68-M130 HydrophobicContact CG2-SD 4.4Å; V68-L136 HydrophobicContact CG2-CD1 4.22Å; V68-L136 HydrophobicContact CG2-CD2 4.06Å; V68-S143 WeakPolarHBondContact CG2-O 3.37Å; V68-S143 WeakPolarHBondContact CG2-OG 3.41Å; V68-S143 PolarHBondContact N-OG 3.41Å; V68-L215 HydrophobicContact CG1-CB 4Å
69A98.4Very high97.5Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-56.9-45.7178.400000112.2E37 A39 S66 Y71 C72 S73 S145E37-A69 WeakPolarHBondContact O-CB 3.45Å; A39-A69 HydrophobicContact CB-CB 4.24Å; S66-A69 PolarHBondContact O-N 2.97Å; A69-Y71 VanDerWaalsContact C-N 3.33Å; A69-Y71 PolarHBondContact O-N 3.41Å; A69-C72 PolarHBondContact O-N 3.48Å; A69-S73 PolarHBondContact O-N 3.33Å; A69-S145 WeakPolarHBondContact CB-OG 3.41Å
70T98.4Very high97.5Very high52 Ų5236.4 Ų36.432%0.31919%0.193SC..Hα-helixtrans-64.9-35178.6-61.10000112.6S66 V68 S73S66-T70 WeakPolarHBondContact O-CB 3.48Å; S66-T70 PolarHBondContact O-N 3.34Å; S66-T70 PolarHBondContact O-OG1 3.18Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.41Å; T70-S73 PolarHBondContact O-OG 3.31Å
71Y98.6Very high97.3Very high33 Ų3337.6 Ų37.613%0.12920%0.199CC..Hα-helixtrans-73.4-44.1176.8-170-92.5000111.1R67 V68 A69 S73 K74 H75 I126 H129 M130 F133R67-Y71 WeakPolarHBondContact O-CB 3.46Å; R67-Y71 PolarHBondContact O-N 3.49Å; R67-Y71 VanDerWaalsContact O-N 3.15Å; V68-Y71 PolarHBondContact O-N 3.46Å; V68-Y71 VanDerWaalsContact O-N 3.15Å; A69-Y71 VanDerWaalsContact C-N 3.33Å; A69-Y71 PolarHBondContact O-N 3.41Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.94Å; Y71-K74 PolarHBondContact O-N 3.5Å; Y71-H75 HydrophobicContact CD1-CB 4.3Å; Y71-H75 AromaticContact CD2-CD2 3.54Å; Y71-H75 HydrophobicContact CE1-CB 3.84Å; Y71-H75 AromaticContact CE1-CD2 3.9Å; Y71-H75 AromaticContact CE2-CD2 3.3Å; Y71-H75 WeakPolarHBondContact CE2-CD2 3.4Å; Y71-H75 AromaticContact CE2-NE2 3.74Å; Y71-H75 AromaticContact CG-CD2 3.94Å; Y71-H75 AromaticContact CZ-CD2 3.48Å; Y71-H75 VanDerWaalsContact CZ-CD2 3.48Å; Y71-H75 AromaticContact CZ-CG 3.79Å; Y71-H75 PolarHBondContact O-CD2 3.23Å; Y71-H75 PolarHBondContact O-N 2.91Å; Y71-I126 HydrophobicContact CD1-CD1 3.98Å; Y71-I126 HydrophobicContact CD1-CG1 4.12Å; Y71-I126 HydrophobicContact CE1-CD1 3.94Å; Y71-I126 HydrophobicContact CE1-CG1 3.85Å; Y71-H129 AromaticContact CZ-CD2 3.85Å; Y71-H129 PolarHBondContact OH-CD2 3.24Å; Y71-H129 PolarHBondContact OH-NE2 3.35Å; Y71-H129 VanDerWaalsContact OH-NE2 3.14Å; Y71-M130 HydrophobicContact CD1-CG 3.42Å; Y71-M130 VanDerWaalsContact CD1-CG 3.42Å; Y71-M130 HydrophobicContact CD1-SD 3.4Å; Y71-M130 WeakPolarHBondContact CD1-SD 3.27Å; Y71-M130 HydrophobicContact CE1-CG 3.72Å; Y71-M130 HydrophobicContact CE1-SD 4.27Å; Y71-M130 HydrophobicContact CG-CG 4.14Å; Y71-M130 HydrophobicContact CG-SD 3.96Å; Y71-F133 HydrophobicContact CD1-CE2 4.33Å; Y71-F133 AromaticContact CD2-CE2 3.81Å; Y71-F133 HydrophobicContact CD2-CE2 3.81Å; Y71-F133 HydrophobicContact CD2-CZ 4.08Å; Y71-F133 HydrophobicContact CE1-CE2 4.31Å; Y71-F133 HydrophobicContact CE1-CZ 4.08Å; Y71-F133 AromaticContact CE2-CE2 3.8Å; Y71-F133 HydrophobicContact CE2-CE2 3.8Å; Y71-F133 AromaticContact CE2-CZ 3.56Å; Y71-F133 HydrophobicContact CE2-CZ 3.56Å; Y71-F133 HydrophobicContact CG-CE2 4.08Å; Y71-F133 AromaticContact CZ-CZ 3.58Å
72C98.7Very high97Very high0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-58.9-42.9177.8-64.70000111.7Y60 V68 A69 K74 H75 L76 L215Y60-C72 HydrophobicContact CD1-CB 3.62Å; Y60-C72 HydrophobicContact CE1-CB 3.62Å; Y60-C72 HydrophobicContact CG-CB 4.31Å; Y60-C72 PolarHBondContact OH-O 2.77Å; V68-C72 PolarHBondContact O-N 2.96Å; V68-C72 PolarHBondContact O-SG 3.29Å; A69-C72 PolarHBondContact O-N 3.48Å; C72-K74 PolarHBondContact O-N 2.95Å; C72-K74 VanDerWaalsContact O-N 3.1Å; C72-H75 PolarHBondContact O-N 2.95Å; C72-L76 WeakPolarHBondContact O-CB 3.17Å; C72-L76 PolarHBondContact O-N 3.01Å; C72-L215 HydrophobicContact CB-CD1 4.41Å; C72-L215 WeakPolarHBondContact SG-CD1 3.08Å
73S98.3Very high96.7Very high21 Ų2139.9 Ų39.915%0.14722%0.216CC..Hα-helixtrans-61.5-22.2-179.570.40000114.9T41 A69 T70 Y71T41-S73 WeakPolarHBondContact OG1-CA 3.31Å; T41-S73 PolarHBondContact OG1-O 2.99Å; A69-S73 PolarHBondContact O-N 3.33Å; T70-S73 PolarHBondContact O-OG 3.31Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 2.94Å
74K98.1Very high96.2Very high142 Ų14238.4 Ų38.462%0.61721%0.21SC*.Hα-helixtrans-98.3-31.6179.2-64.3175.8-173.9177.80113.1Y71 C72Y71-K74 PolarHBondContact O-N 3.5Å; C72-K74 PolarHBondContact O-N 2.95Å; C72-K74 VanDerWaalsContact O-N 3.1Å
75H98.3Very high95.6Very high54 Ų5438.2 Ų38.225%0.2520%0.199CC..Hα-helixtrans-123.6-14.9-164.2-60.9-68.7000115.1Y71 C72 L77 E78 H79 I126Y71-H75 HydrophobicContact CD1-CB 4.3Å; Y71-H75 AromaticContact CD2-CD2 3.54Å; Y71-H75 HydrophobicContact CE1-CB 3.84Å; Y71-H75 AromaticContact CE1-CD2 3.9Å; Y71-H75 AromaticContact CE2-CD2 3.3Å; Y71-H75 WeakPolarHBondContact CE2-CD2 3.4Å; Y71-H75 AromaticContact CE2-NE2 3.74Å; Y71-H75 AromaticContact CG-CD2 3.94Å; Y71-H75 AromaticContact CZ-CD2 3.48Å; Y71-H75 VanDerWaalsContact CZ-CD2 3.48Å; Y71-H75 AromaticContact CZ-CG 3.79Å; Y71-H75 PolarHBondContact O-CD2 3.23Å; Y71-H75 PolarHBondContact O-N 2.91Å; C72-H75 PolarHBondContact O-N 2.95Å; H75-L77 PolarHBondContact O-N 2.97Å; H75-E78 IonicContact ND1-OE2 3.85Å; H75-E78 PolarHBondContact O-N 3.33Å; H75-H79 PolarHBondContact O-N 3.4Å; H75-H79 PolarHBondContact O-ND1 3.48Å; H75-I126 HydrophobicContact CB-CD1 4.06Å
76L98.5Very high94.4Very high2 Ų239.1 Ų39.11%0.0121%0.209CC..Hα-helixtrans-60.3-45.9-177.3177.163.6000111.7Y60 C72 E78 H79 I80 F123 I126 A147Y60-L76 HydrophobicContact CE1-CB 4.5Å; Y60-L76 HydrophobicContact CE1-CD2 3.68Å; C72-L76 WeakPolarHBondContact O-CB 3.17Å; C72-L76 PolarHBondContact O-N 3.01Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 3.48Å; L76-H79 PolarHBondContact O-N 3.35Å; L76-H79 VanDerWaalsContact O-N 3.14Å; L76-I80 HydrophobicContact CD1-CD1 4.06Å; L76-I80 HydrophobicContact CD1-CG1 4.18Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.26Å; L76-F123 HydrophobicContact CD1-CD2 3.79Å; L76-F123 HydrophobicContact CD1-CE2 3.84Å; L76-F123 HydrophobicContact CD1-CG 4.25Å; L76-F123 HydrophobicContact CD1-CZ 4.33Å; L76-F123 HydrophobicContact CD2-CE1 4.46Å; L76-F123 HydrophobicContact CD2-CE2 3.8Å; L76-F123 HydrophobicContact CD2-CZ 3.75Å; L76-F123 HydrophobicContact CG-CE2 4.3Å; L76-I126 HydrophobicContact CB-CD1 4.1Å; L76-I126 HydrophobicContact CD1-CD1 4.49Å; L76-I126 HydrophobicContact CD1-CG2 3.83Å; L76-A147 HydrophobicContact CD2-CB 4.37Å
77L97.6Very high92.1Very high20 Ų2040.7 Ų40.711%0.10522%0.224CC..Hα-helixtrans-57.5-43179.8178.158.1000112.4V43 L46 F56 H75 H79 I80 I81V43-L77 HydrophobicContact CB-CD2 4.15Å; V43-L77 HydrophobicContact CG1-CD2 4.37Å; V43-L77 HydrophobicContact CG2-CD2 3.91Å; L46-L77 HydrophobicContact CD1-CD1 4.38Å; L46-L77 HydrophobicContact CD2-CD1 4.17Å; L46-L77 HydrophobicContact CD2-CD2 3.86Å; F56-L77 HydrophobicContact CB-CD1 3.74Å; F56-L77 HydrophobicContact CB-CD2 4.07Å; F56-L77 HydrophobicContact CD1-CB 3.95Å; F56-L77 HydrophobicContact CD1-CD1 3.78Å; F56-L77 HydrophobicContact CD1-CD2 3.88Å; F56-L77 HydrophobicContact CD1-CG 4.08Å; F56-L77 HydrophobicContact CD2-CD1 4.11Å; F56-L77 HydrophobicContact CE1-CB 4.03Å; F56-L77 HydrophobicContact CE1-CD1 4.38Å; F56-L77 HydrophobicContact CG-CD1 3.61Å; F56-L77 HydrophobicContact CG-CD2 4.25Å; F56-L77 HydrophobicContact CG-CG 4.37Å; H75-L77 PolarHBondContact O-N 2.97Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 3.33Å; L77-I80 PolarHBondContact O-N 3.32Å; L77-I81 HydrophobicContact CD1-CD1 3.71Å; L77-I81 HydrophobicContact CD1-CG1 3.96Å; L77-I81 HydrophobicContact CG-CD1 3.77Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.2Å; L77-I81 PolarHBondContact O-N 2.79Å
78E95.8Very high89.5Confident116 Ų11640.6 Ų40.654%0.54225%0.248SC..Hα-helixtrans-61.3-43177.3-177.3-173175.700111.7H75 L76 T82H75-E78 IonicContact ND1-OE2 3.85Å; H75-E78 PolarHBondContact O-N 3.33Å; L76-E78 VanDerWaalsContact C-N 3.32Å; L76-E78 PolarHBondContact O-N 3.48Å; E78-T82 VanDerWaalsContact O-CB 3.24Å; E78-T82 WeakPolarHBondContact O-CB 3.43Å; E78-T82 PolarHBondContact O-N 2.93Å; E78-T82 PolarHBondContact O-OG1 3.43Å
79H96.8Very high86.9Confident33 Ų3345.5 Ų45.515%0.15328%0.282CS..Hα-helixtrans-65.5-39.5178.1-72.770.4000111.7H75 L76 L77 A83 I126H75-H79 PolarHBondContact O-N 3.4Å; H75-H79 PolarHBondContact O-ND1 3.48Å; L76-H79 PolarHBondContact O-N 3.35Å; L76-H79 VanDerWaalsContact O-N 3.14Å; L77-H79 VanDerWaalsContact C-N 3.34Å; L77-H79 PolarHBondContact O-N 3.33Å; H79-A83 VanDerWaalsContact O-CB 3.29Å; H79-A83 WeakPolarHBondContact O-CB 3.31Å; H79-A83 PolarHBondContact O-N 3.34Å; H79-A83 VanDerWaalsContact O-N 3.14Å; H79-I126 HydrophobicContact CB-CB 4.34Å
80I96.5Very high84Confident2 Ų254.7 Ų54.71%0.0132%0.322CS..Hα-helixtrans-63.5-55.1175.2-67.4173.9000110.2F56 L76 L77 T82 A83 S84 I119 F123 I160F56-I80 HydrophobicContact CE2-CD1 4.48Å; L76-I80 HydrophobicContact CD1-CD1 4.06Å; L76-I80 HydrophobicContact CD1-CG1 4.18Å; L76-I80 HydrophobicContact CD2-CD1 4.31Å; L76-I80 HydrophobicContact CG-CD1 3.8Å; L76-I80 HydrophobicContact CG-CG1 4.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.42Å; L76-I80 PolarHBondContact O-N 3.26Å; L77-I80 PolarHBondContact O-N 3.32Å; I80-T82 PolarHBondContact O-N 3.18Å; I80-A83 PolarHBondContact O-N 3.02Å; I80-A83 VanDerWaalsContact O-N 3.09Å; I80-S84 PolarHBondContact O-N 3.16Å; I80-S84 PolarHBondContact O-OG 2.82Å; I80-I119 HydrophobicContact CD1-CG2 4.48Å; I80-I119 HydrophobicContact CG2-CB 4.4Å; I80-I119 HydrophobicContact CG2-CG1 3.65Å; I80-F123 HydrophobicContact CD1-CD2 4.42Å; I80-F123 HydrophobicContact CD1-CE2 4.07Å; I80-I160 HydrophobicContact CD1-CD1 4.47Å
81I93.9Very high81.1Confident25 Ų2561.6 Ų61.613%0.12835%0.35CS..Hα-helixtrans-58.2-48.1-178.1-69.6170000110.8L46 A48 L77 A83 S84 L85L46-I81 HydrophobicContact CB-CD1 4.34Å; L46-I81 HydrophobicContact CD1-CD1 4.06Å; L46-I81 HydrophobicContact CD1-CG1 4.41Å; A48-I81 HydrophobicContact CB-CD1 4.3Å; A48-I81 HydrophobicContact CB-CG2 3.49Å; A48-I81 VanDerWaalsContact CB-CG2 3.49Å; L77-I81 HydrophobicContact CD1-CD1 3.71Å; L77-I81 HydrophobicContact CD1-CG1 3.96Å; L77-I81 HydrophobicContact CG-CD1 3.77Å; L77-I81 HydrophobicContact CG-CG1 4.41Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.2Å; L77-I81 PolarHBondContact O-N 2.79Å; I81-A83 PolarHBondContact O-N 3.48Å; I81-S84 PolarHBondContact O-N 3.05Å; I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.39Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 2.65Å
82T92.3Very high78.3Confident71 Ų7163.5 Ų63.544%0.43638%0.38SS..Hα-helixtrans-61.4-32-179.9-580000111.9E78 I80E78-T82 VanDerWaalsContact O-CB 3.24Å; E78-T82 WeakPolarHBondContact O-CB 3.43Å; E78-T82 PolarHBondContact O-N 2.93Å; E78-T82 PolarHBondContact O-OG1 3.43Å; I80-T82 PolarHBondContact O-N 3.18Å
83A90.9Very high75.2Confident17 Ų1769.3 Ų69.314%0.1442%0.421CS..Hα-helixtrans-78.6-40.2175.300000112.6H79 I80 I81 L85 G86 G118 T121H79-A83 VanDerWaalsContact O-CB 3.29Å; H79-A83 WeakPolarHBondContact O-CB 3.31Å; H79-A83 PolarHBondContact O-N 3.34Å; H79-A83 VanDerWaalsContact O-N 3.14Å; I80-A83 PolarHBondContact O-N 3.02Å; I80-A83 VanDerWaalsContact O-N 3.09Å; I81-A83 PolarHBondContact O-N 3.48Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3.42Å; A83-G86 PolarHBondContact O-N 2.95Å; A83-G118 WeakPolarHBondContact CB-O 3.32Å; A83-T121 HydrophobicContact CB-CG2 3.75Å
84S85.8Confident72.2Confident8 Ų877.6 Ų77.66%0.05646%0.457CS..Hα-helixtrans-64.6-34.1179.1-60.60000113I80 I81 G86 G118I80-S84 PolarHBondContact O-N 3.16Å; I80-S84 PolarHBondContact O-OG 2.82Å; I81-S84 PolarHBondContact O-N 3.05Å; S84-G86 VanDerWaalsContact C-N 3.33Å; S84-G118 WeakPolarHBondContact OG-CA 3.31Å
85L83.3Confident69.2Low64 Ų6477.6 Ų77.634%0.33547%0.469SS..THydrogen-bonded Turntrans-85.9-4.2178.5-61.9179000113.5A48 M51 I81 A83A48-L85 HydrophobicContact CB-CD1 4.23Å; M51-L85 HydrophobicContact SD-CD2 4.35Å; I81-L85 HydrophobicContact CG2-CD1 3.83Å; I81-L85 HydrophobicContact CG2-CG 4.39Å; I81-L85 WeakPolarHBondContact O-CG 3.35Å; I81-L85 PolarHBondContact O-N 2.65Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-L85 PolarHBondContact O-N 3.42Å
86G68.6Low66.2Low35 Ų3577.9 Ų77.936%0.36149%0.486SS..  trans76.1152.1-176.400000113.7A83 S84 G88A83-G86 PolarHBondContact O-N 2.95Å; S84-G86 VanDerWaalsContact C-N 3.33Å; G86-G88 PolarHBondContact O-N 3.45Å
87A48.4Very low63.9Low82 Ų8283.1 Ų83.168%0.67852%0.521SS*.G310 helixtrans-70.217.6176.600000114.1S89A87-S89 VanDerWaalsContact C-N 3.32Å; A87-S89 PolarHBondContact O-N 2.64Å
88G43.7Very low61.2Low76 Ų7690.1 Ų90.178%0.78456%0.558SS**G310 helixtrans-81-4.1-177.500000114.8G86G86-G88 PolarHBondContact O-N 3.45Å
89S43.5Very low58.4Low102 Ų10288.1 Ų88.171%0.71357%0.569SS**G310 helixtrans-96.618.2-176-41.20000114.3A87A87-S89 VanDerWaalsContact C-N 3.32Å; A87-S89 PolarHBondContact O-N 2.64Å
90K37.5Very low55.6Low193 Ų19392.6 Ų92.684%0.83960%0.602SS**SBendtrans-107.6103.3172-72.9-167176.9-176.70111.5
91Q38.4Very low53.5Low197 Ų19796.1 Ų96.192%0.92164%0.639SS**  trans74.9109157.5-88.8160.6-2.100121.1
92G39.8Very low51.1Low73 Ų73100.5 Ų100.575%0.75367%0.672SS**  106111.9124.600000117.2
93S32.5Very low48.7Very low123 Ų123104.2 Ų104.286%0.8669%0.689SS**  trans-143.2126.4144.5-76.10000108.9
94Q35.8Very low46.7Very low195 Ų195109.8 Ų109.891%0.91173%0.727SS**  trans-53.6136.7179.4-65.2-177.6-24.500110.5G96Q94-G96 PolarHBondContact O-N 2.98Å
95V36.1Very low45.2Very low141 Ų141117.9 Ų117.986%0.85576%0.764SS**  trans-63.5105169.3-177.90000107.5
96G34.2Very low44.2Very low60 Ų60119.2 Ų119.262%0.61978%0.784SS**  trans-72131.3156.300000108Q94 D98Q94-G96 PolarHBondContact O-N 2.98Å; G96-D98 PolarHBondContact O-N 3.24Å
97P50.1Low44.2Very low113 Ų113122.9 Ų122.973%0.73480%0.795SS**SBendtrans-77.4110.117031.6-25000105.8
98D42.1Very low45.6Very low166 Ų166124 Ų12489%0.88880%0.795SS**  trans160.7118.6143.6-77.7-21000110.5G96G96-D98 PolarHBondContact O-N 3.24Å
99G36.6Very low47.4Very low75 Ų75124.5 Ų124.577%0.77379%0.785SS**  trans128.9102.5153.700000116.9
100C38.7Very low49.4Very low126 Ų126120.7 Ų120.785%0.85176%0.758SS**  52.7119.4128.4-176.20000119.3
101G51Low51.9Low77 Ų77114.8 Ų114.879%0.79475%0.745SS**  trans-47.9145179.400000115.8
102S44Very low54.3Low117 Ų117107 Ų10782%0.81871%0.711SS**  trans-139.1141.2164.852.10000108.9
103D41.5Very low56.7Low149 Ų149109.4 Ų109.480%0.79770%0.702SS**  trans-47.4145.3-177.5-63.8-56.7000112.7Q105D103-Q105 PolarHBondContact O-N 2.95Å
104S49.1Very low59.5Low133 Ų133105.4 Ų105.493%0.9368%0.676SS**  trans-6574.4166.2-55.30000109.5A106S104-A106 PolarHBondContact O-N 3.49Å
105Q53.6Low62.3Low178 Ų17896.1 Ų96.183%0.83263%0.633SS**  trans-66.1106.2170.1-97.6-178.5-11.100107.5D103 L107D103-Q105 PolarHBondContact O-N 2.95Å; Q105-L107 PolarHBondContact O-N 2.92Å
106A63.3Low65Low92 Ų9291.6 Ų91.676%0.7660%0.602SS**PPolyproline II helixtrans-51.7125168.300000108.3S104S104-A106 PolarHBondContact O-N 3.49Å
107L69.3Low67.8Low113 Ų11391.2 Ų91.259%0.59259%0.593SS**PPolyproline II helixtrans-54.5136.3175.5-83.9150.5000109.2P49 G50 Q105P49-L107 HydrophobicContact CB-CB 4.41Å; P49-L107 HydrophobicContact CB-CD1 3.58Å; P49-L107 HydrophobicContact CG-CD1 4.46Å; G50-L107 WeakPolarHBondContact CA-O 3.15Å; Q105-L107 PolarHBondContact O-N 2.92Å
108P76.4Confident70Confident105 Ų10585.9 Ų85.968%0.68256%0.559SS**PPolyproline II helixtrans-61.5149179.626.4-33.8000110.4
109P81.4Confident72.6Confident87 Ų8778 Ų7857%0.56552%0.516SS*.PPolyproline II helixtrans-61.6150.5177.726.6-34000110.8W54W54-P109 HydrophobicContact CZ2-CB 4.41Å
110P86.4Confident75.5Confident22 Ų2279 Ų7914%0.14350%0.497CS..PPolyproline II helixtrans-63141.2178.526.7-34.1000110.8M51 W54 V115M51-P110 HydrophobicContact CE-CG 4.23Å; M51-P110 HydrophobicContact CG-CG 4.28Å; M51-P110 HydrophobicContact SD-CG 4.21Å; W54-P110 HydrophobicContact CH2-CG 4.17Å; W54-P110 HydrophobicContact CZ2-CG 4.11Å; P110-V115 HydrophobicContact CB-CG2 3.93Å; P110-V115 HydrophobicContact CG-CG2 3.7Å
111A90.1Very high78.3Confident69 Ų6975 Ų7557%0.5747%0.469SS*.PPolyproline II helixtrans-60.7147.1173.500000110.9E113 A114 V115A111-E113 VanDerWaalsContact C-N 3.27Å; A111-E113 PolarHBondContact O-N 3.07Å; A111-E113 VanDerWaalsContact O-N 3.16Å; A111-A114 HydrophobicContact CB-CB 4.49Å; A111-A114 WeakPolarHBondContact O-CA 3.35Å; A111-A114 VanDerWaalsContact O-CB 3.3Å; A111-A114 WeakPolarHBondContact O-CB 3.39Å; A111-A114 PolarHBondContact O-N 2.9Å; A111-V115 PolarHBondContact O-N 3.39Å
112V89.1Confident80.6Confident33 Ų3371.4 Ų71.420%0.243%0.431CS..Hα-helixtrans-44.8-48.6178.1164.30000113.1A114 V115 K116 F158 E241V112-A114 VanDerWaalsContact C-N 3.33Å; V112-A114 PolarHBondContact O-N 3.04Å; V112-V115 WeakPolarHBondContact O-CB 3.18Å; V112-V115 PolarHBondContact O-N 3.08Å; V112-V115 VanDerWaalsContact O-N 3.16Å; V112-K116 HydrophobicContact CG1-CD 4.39Å; V112-K116 PolarHBondContact O-N 2.91Å; V112-F158 HydrophobicContact CG1-CE1 4.2Å; V112-F158 HydrophobicContact CG2-CZ 4.29Å; V112-E241 HydrophobicContact CG1-CG 4.38Å; V112-E241 WeakPolarHBondContact CG1-OE1 3.29Å; V112-E241 WeakPolarHBondContact CG1-OE2 3.36Å; V112-E241 WeakPolarHBondContact CG2-OE1 3.36Å
113E89.5Confident83.2Confident124 Ų12465.9 Ų65.958%0.57939%0.392SS*.Hα-helixtrans-68.1-32.3-179.1-65.7-54.7127.100112.6A111 V115 K116 A117A111-E113 VanDerWaalsContact C-N 3.27Å; A111-E113 PolarHBondContact O-N 3.07Å; A111-E113 VanDerWaalsContact O-N 3.16Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-K116 IonicContact OE1-NZ 2.71Å; E113-K116 PolarHBondContact OE1-NZ 3.46Å; E113-A117 WeakPolarHBondContact O-CB 2.98Å; E113-A117 PolarHBondContact O-N 3.31Å
114A91.8Very high85.9Confident38 Ų3860.6 Ų60.631%0.31436%0.364SS..Hα-helixtrans-67.8-35.9173.100000111.3A111 V112 G118A111-A114 HydrophobicContact CB-CB 4.49Å; A111-A114 WeakPolarHBondContact O-CA 3.35Å; A111-A114 VanDerWaalsContact O-CB 3.3Å; A111-A114 WeakPolarHBondContact O-CB 3.39Å; A111-A114 PolarHBondContact O-N 2.9Å; V112-A114 VanDerWaalsContact C-N 3.33Å; V112-A114 PolarHBondContact O-N 3.04Å; A114-G118 WeakPolarHBondContact O-CA 3.15Å; A114-G118 PolarHBondContact O-N 2.91Å
115V94.2Very high88.2Confident0 Ų059.5 Ų59.50%034%0.34CS..Hα-helixtrans-66.4-48.9174.7178.90000110.8W54 P110 A111 V112 E113 A117 G118 I119 L151 F158W54-V115 HydrophobicContact CH2-CG2 3.74Å; W54-V115 HydrophobicContact CZ3-CG1 4.23Å; W54-V115 HydrophobicContact CZ3-CG2 4.15Å; P110-V115 HydrophobicContact CB-CG2 3.93Å; P110-V115 HydrophobicContact CG-CG2 3.7Å; A111-V115 PolarHBondContact O-N 3.39Å; V112-V115 WeakPolarHBondContact O-CB 3.18Å; V112-V115 PolarHBondContact O-N 3.08Å; V112-V115 VanDerWaalsContact O-N 3.16Å; E113-V115 VanDerWaalsContact C-N 3.34Å; V115-A117 PolarHBondContact O-N 3.27Å; V115-G118 PolarHBondContact O-N 3.39Å; V115-I119 HydrophobicContact CG1-CD1 3.86Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 2.92Å; V115-L151 HydrophobicContact CG1-CD2 3.73Å; V115-F158 HydrophobicContact CB-CE1 4.12Å; V115-F158 HydrophobicContact CB-CE2 4.48Å; V115-F158 HydrophobicContact CB-CZ 4.08Å; V115-F158 HydrophobicContact CG1-CD1 3.95Å; V115-F158 HydrophobicContact CG1-CD2 3.93Å; V115-F158 HydrophobicContact CG1-CE1 3.94Å; V115-F158 HydrophobicContact CG1-CE2 3.93Å; V115-F158 HydrophobicContact CG1-CG 3.95Å; V115-F158 HydrophobicContact CG1-CZ 3.93Å; V115-F158 HydrophobicContact CG2-CZ 4.32Å
116K91.9Very high90.4Very high47 Ų4751 Ų5120%0.20430%0.3CS..Hα-helixtrans-59.1-47.7176.7-68.8175.9-172.9157.90111.7V112 E113 G118 I119 R120 V239 E241V112-K116 HydrophobicContact CG1-CD 4.39Å; V112-K116 PolarHBondContact O-N 2.91Å; E113-K116 IonicContact OE1-NZ 2.71Å; E113-K116 PolarHBondContact OE1-NZ 3.46Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.79Å; K116-I119 PolarHBondContact O-N 3.01Å; K116-R120 PolarHBondContact O-N 3.25Å; K116-V239 HydrophobicContact CB-CG1 4.48Å; K116-V239 HydrophobicContact CG-CG1 3.99Å; K116-E241 WeakPolarHBondContact CE-OE2 3.18Å; K116-E241 IonicContact NZ-OE2 2.79Å; K116-E241 PolarHBondContact NZ-OE2 2.76Å
117A93.7Very high92Very high52 Ų5247.1 Ų47.143%0.4327%0.266SS..Hα-helixtrans-64.1-37.9177.200000112.2E113 V115 T121E113-A117 WeakPolarHBondContact O-CB 2.98Å; E113-A117 PolarHBondContact O-N 3.31Å; V115-A117 PolarHBondContact O-N 3.27Å; A117-T121 VanDerWaalsContact O-CB 3.22Å; A117-T121 WeakPolarHBondContact O-CB 3.3Å; A117-T121 PolarHBondContact O-N 3.28Å; A117-T121 PolarHBondContact O-OG1 2.87Å
118G96.3Very high93.4Very high1 Ų147.1 Ų47.11%0.0126%0.263CS..Hα-helixtrans-66.2-42.5176.800000112.7A83 S84 A114 V115 K116 T121 G122A83-G118 WeakPolarHBondContact CB-O 3.32Å; S84-G118 WeakPolarHBondContact OG-CA 3.31Å; A114-G118 WeakPolarHBondContact O-CA 3.15Å; A114-G118 PolarHBondContact O-N 2.91Å; V115-G118 PolarHBondContact O-N 3.39Å; K116-G118 VanDerWaalsContact C-N 3.32Å; K116-G118 PolarHBondContact O-N 2.79Å; G118-T121 PolarHBondContact O-N 3.41Å; G118-G122 PolarHBondContact O-N 3.42Å
119I97.6Very high94.4Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-59.4-53.8172.9-68.2159.2000110.2I80 V115 K116 T121 G122 F123 L151 F158 I160 P237 V239I80-I119 HydrophobicContact CD1-CG2 4.48Å; I80-I119 HydrophobicContact CG2-CB 4.4Å; I80-I119 HydrophobicContact CG2-CG1 3.65Å; V115-I119 HydrophobicContact CG1-CD1 3.86Å; V115-I119 VanDerWaalsContact O-CG1 3.3Å; V115-I119 WeakPolarHBondContact O-CG1 3.45Å; V115-I119 PolarHBondContact O-N 2.92Å; K116-I119 PolarHBondContact O-N 3.01Å; I119-T121 VanDerWaalsContact C-N 3.32Å; I119-T121 PolarHBondContact O-N 3.19Å; I119-G122 PolarHBondContact O-N 3.49Å; I119-G122 VanDerWaalsContact O-N 3.16Å; I119-F123 HydrophobicContact CG2-CD2 4.14Å; I119-F123 HydrophobicContact CG2-CE2 4.06Å; I119-F123 WeakPolarHBondContact O-CD2 3.42Å; I119-F123 PolarHBondContact O-N 2.95Å; I119-F123 VanDerWaalsContact O-N 3.08Å; I119-L151 HydrophobicContact CD1-CD2 4.35Å; I119-F158 HydrophobicContact CD1-CB 4.18Å; I119-I160 HydrophobicContact CD1-CD1 3.7Å; I119-I160 HydrophobicContact CD1-CG1 3.97Å; I119-I160 HydrophobicContact CG1-CD1 3.89Å; I119-I160 HydrophobicContact CG2-CD1 3.84Å; I119-I160 HydrophobicContact CG2-CG1 3.99Å; I119-I160 HydrophobicContact CG2-CG2 3.77Å; I119-P237 HydrophobicContact CG2-CG 4.07Å; I119-V239 HydrophobicContact CB-CG2 3.95Å; I119-V239 HydrophobicContact CD1-CG1 3.7Å; I119-V239 HydrophobicContact CD1-CG2 4.42Å; I119-V239 HydrophobicContact CG2-CG2 3.49Å; I119-V239 VanDerWaalsContact CG2-CG2 3.49Å
120R97.5Very high95.2Very high95 Ų9541.8 Ų41.836%0.35822%0.221SC..Hα-helixtrans-54.5-49.5178.1-176.7-176.3-179.9-81.6-6.1111.5K116 G122 F123 L124 E236K116-R120 PolarHBondContact O-N 3.25Å; R120-G122 VanDerWaalsContact C-N 3.34Å; R120-G122 PolarHBondContact O-N 3.34Å; R120-F123 PolarHBondContact O-N 2.87Å; R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.4Å; R120-L124 VanDerWaalsContact O-N 3.16Å; R120-E236 HydrophobicContact CG-CG 4.43Å; R120-E236 IonicContact CZ-OE1 3.54Å; R120-E236 IonicContact NE-OE1 3.88Å; R120-E236 PolarHBondContact NE-OE1 2.85Å; R120-E236 IonicContact NH2-OE1 2.69Å; R120-E236 PolarHBondContact NH2-OE1 3.12Å
121T97.6Very high95.6Very high44 Ų4444.6 Ų44.627%0.2723%0.229SC..Hα-helixtrans-65.9-36.9-179.2-59.90000111.9A83 A117 G118 I119 L124 R125A83-T121 HydrophobicContact CB-CG2 3.75Å; A117-T121 VanDerWaalsContact O-CB 3.22Å; A117-T121 WeakPolarHBondContact O-CB 3.3Å; A117-T121 PolarHBondContact O-N 3.28Å; A117-T121 PolarHBondContact O-OG1 2.87Å; G118-T121 PolarHBondContact O-N 3.41Å; I119-T121 VanDerWaalsContact C-N 3.32Å; I119-T121 PolarHBondContact O-N 3.19Å; T121-L124 PolarHBondContact O-N 2.82Å; T121-R125 HydrophobicContact CG2-CG 4.15Å; T121-R125 WeakPolarHBondContact O-CB 3.19Å; T121-R125 VanDerWaalsContact O-CG 3.27Å; T121-R125 WeakPolarHBondContact O-CG 3.44Å; T121-R125 PolarHBondContact O-N 3.28Å
122G98.1Very high95.8Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-60.1-45.8176.400000111.9G118 I119 R120 R125 I126G118-G122 PolarHBondContact O-N 3.42Å; I119-G122 PolarHBondContact O-N 3.49Å; I119-G122 VanDerWaalsContact O-N 3.16Å; R120-G122 VanDerWaalsContact C-N 3.34Å; R120-G122 PolarHBondContact O-N 3.34Å; G122-R125 PolarHBondContact O-N 3.35Å; G122-I126 WeakPolarHBondContact O-CG2 3.4Å; G122-I126 PolarHBondContact O-N 3.13Å
123F98.7Very high96.2Very high1 Ų144.3 Ų44.30%0.00422%0.221CC..Hα-helixtrans-61.2-47.5174.6-88.1-109.4000112.7L76 I80 I119 R120 R125 I126 D127 A147 I160 C162 L215 P235 P237L76-F123 HydrophobicContact CD1-CD2 3.79Å; L76-F123 HydrophobicContact CD1-CE2 3.84Å; L76-F123 HydrophobicContact CD1-CG 4.25Å; L76-F123 HydrophobicContact CD1-CZ 4.33Å; L76-F123 HydrophobicContact CD2-CE1 4.46Å; L76-F123 HydrophobicContact CD2-CE2 3.8Å; L76-F123 HydrophobicContact CD2-CZ 3.75Å; L76-F123 HydrophobicContact CG-CE2 4.3Å; I80-F123 HydrophobicContact CD1-CD2 4.42Å; I80-F123 HydrophobicContact CD1-CE2 4.07Å; I119-F123 HydrophobicContact CG2-CD2 4.14Å; I119-F123 HydrophobicContact CG2-CE2 4.06Å; I119-F123 WeakPolarHBondContact O-CD2 3.42Å; I119-F123 PolarHBondContact O-N 2.95Å; I119-F123 VanDerWaalsContact O-N 3.08Å; R120-F123 PolarHBondContact O-N 2.87Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.23Å; F123-I126 WeakPolarHBondContact O-CG2 3.31Å; F123-D127 WeakPolarHBondContact O-CB 3.33Å; F123-D127 PolarHBondContact O-N 3.34Å; F123-D127 VanDerWaalsContact O-N 3.07Å; F123-A147 HydrophobicContact CE1-CB 3.82Å; F123-A147 HydrophobicContact CZ-CB 3.88Å; F123-I160 HydrophobicContact CE2-CG2 3.59Å; F123-I160 HydrophobicContact CZ-CG2 3.62Å; F123-C162 HydrophobicContact CD1-CB 4.2Å; F123-C162 HydrophobicContact CE1-CB 3.61Å; F123-C162 HydrophobicContact CZ-CB 4.5Å; F123-L215 HydrophobicContact CD1-CD1 4.12Å; F123-L215 HydrophobicContact CD1-CD2 4.02Å; F123-L215 HydrophobicContact CD1-CG 4.19Å; F123-L215 HydrophobicContact CE1-CD1 4.18Å; F123-P235 WeakPolarHBondContact CD1-O 3.16Å; F123-P237 HydrophobicContact CB-CG 3.94Å; F123-P237 HydrophobicContact CD1-CB 3.99Å; F123-P237 HydrophobicContact CD1-CG 4.06Å; F123-P237 HydrophobicContact CD2-CB 4.08Å; F123-P237 HydrophobicContact CD2-CG 3.68Å; F123-P237 HydrophobicContact CE1-CB 3.99Å; F123-P237 HydrophobicContact CE1-CG 4.49Å; F123-P237 HydrophobicContact CE2-CB 4.07Å; F123-P237 HydrophobicContact CE2-CG 4.14Å; F123-P237 HydrophobicContact CG-CB 4.03Å; F123-P237 HydrophobicContact CG-CG 3.62Å; F123-P237 HydrophobicContact CZ-CB 4.02Å
124L98.4Very high96.3Very high39 Ų3942.1 Ų42.120%0.20422%0.219CC..Hα-helixtrans-64-39.3178.4-60.9-175.2000112.1R120 T121 E128 T229 P235R120-L124 WeakPolarHBondContact O-CG 3.46Å; R120-L124 PolarHBondContact O-N 3.4Å; R120-L124 VanDerWaalsContact O-N 3.16Å; T121-L124 PolarHBondContact O-N 2.82Å; L124-E128 WeakPolarHBondContact O-CB 3.45Å; L124-E128 PolarHBondContact O-N 2.96Å; L124-E128 VanDerWaalsContact O-N 3.11Å; L124-T229 HydrophobicContact CD1-CG2 4.4Å; L124-T229 HydrophobicContact CD2-CG2 3.8Å; L124-P235 HydrophobicContact CD2-CB 4.44Å; L124-P235 HydrophobicContact CD2-CG 3.73Å
125R98Very high96.3Very high110 Ų11042.2 Ų42.242%0.41521%0.214SC..Hα-helixtrans-68.7-44.8179.5-77179.3176.9171.51.4112.3T121 G122 F123 D127 H129T121-R125 HydrophobicContact CG2-CG 4.15Å; T121-R125 WeakPolarHBondContact O-CB 3.19Å; T121-R125 VanDerWaalsContact O-CG 3.27Å; T121-R125 WeakPolarHBondContact O-CG 3.44Å; T121-R125 PolarHBondContact O-N 3.28Å; G122-R125 PolarHBondContact O-N 3.35Å; F123-R125 VanDerWaalsContact C-N 3.33Å; F123-R125 PolarHBondContact O-N 3.23Å; R125-D127 VanDerWaalsContact C-N 3.34Å; R125-H129 VanDerWaalsContact O-CB 3.23Å; R125-H129 WeakPolarHBondContact O-CB 3.31Å; R125-H129 PolarHBondContact O-N 3.11Å
126I98.4Very high96.2Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-68.6-36.5-179.7-165.5171.6000111.3Y71 H75 L76 H79 G122 F123 H129 M130 L215Y71-I126 HydrophobicContact CD1-CD1 3.98Å; Y71-I126 HydrophobicContact CD1-CG1 4.12Å; Y71-I126 HydrophobicContact CE1-CD1 3.94Å; Y71-I126 HydrophobicContact CE1-CG1 3.85Å; H75-I126 HydrophobicContact CB-CD1 4.06Å; L76-I126 HydrophobicContact CB-CD1 4.1Å; L76-I126 HydrophobicContact CD1-CD1 4.49Å; L76-I126 HydrophobicContact CD1-CG2 3.83Å; H79-I126 HydrophobicContact CB-CB 4.34Å; G122-I126 WeakPolarHBondContact O-CG2 3.4Å; G122-I126 PolarHBondContact O-N 3.13Å; F123-I126 WeakPolarHBondContact O-CG2 3.31Å; I126-H129 PolarHBondContact O-N 3.36Å; I126-M130 HydrophobicContact CG1-CE 4.19Å; I126-M130 HydrophobicContact CG1-CG 4.42Å; I126-M130 WeakPolarHBondContact O-CB 3.43Å; I126-M130 WeakPolarHBondContact O-CG 3.26Å; I126-M130 PolarHBondContact O-N 3.15Å; I126-L215 HydrophobicContact CG2-CD1 4.17Å; I126-L215 HydrophobicContact CG2-CD2 4Å
127D98.6Very high96Very high10 Ų1049 Ų495%0.05324%0.239CC..Hα-helixtrans-62.5-49.1175.4-160.161.5000111F123 R125 H129 M130 R131 L215 G216 Y218 K221 P235F123-D127 WeakPolarHBondContact O-CB 3.33Å; F123-D127 PolarHBondContact O-N 3.34Å; F123-D127 VanDerWaalsContact O-N 3.07Å; R125-D127 VanDerWaalsContact C-N 3.34Å; D127-H129 VanDerWaalsContact C-N 3.32Å; D127-H129 PolarHBondContact O-N 2.99Å; D127-M130 PolarHBondContact O-N 3.21Å; D127-R131 PolarHBondContact O-N 3.35Å; D127-L215 HydrophobicContact CB-CD2 3.72Å; D127-L215 VanDerWaalsContact OD1-CA 3.32Å; D127-L215 WeakPolarHBondContact OD1-CA 3Å; D127-G216 PolarHBondContact OD1-N 3.02Å; D127-Y218 PolarHBondContact O-OH 2.89Å; D127-K221 IonicContact OD1-NZ 3.08Å; D127-K221 PolarHBondContact OD1-NZ 2.89Å; D127-K221 IonicContact OD2-NZ 2.65Å; D127-K221 PolarHBondContact OD2-NZ 3.45Å; D127-P235 HydrophobicContact CB-CB 3.88Å; D127-P235 HydrophobicContact CB-CG 4.37Å; D127-P235 WeakPolarHBondContact OD2-CB 3.49Å; D127-P235 WeakPolarHBondContact OD2-CG 3.24Å
128E97.4Very high95.8Very high112 Ų11250.7 Ų50.752%0.52324%0.241SC..Hα-helixtrans-64.6-37.8176.5-174.757.7-151.900111.9L124 R131L124-E128 WeakPolarHBondContact O-CB 3.45Å; L124-E128 PolarHBondContact O-N 2.96Å; L124-E128 VanDerWaalsContact O-N 3.11Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 3.4Å
129H97.7Very high95.4Very high80 Ų8051.6 Ų51.637%0.3725%0.25SS..Hα-helixtrans-62.6-48.1176.8-177.464.6000111.7Y71 R125 I126 D127 R131 S132 F133Y71-H129 AromaticContact CZ-CD2 3.85Å; Y71-H129 PolarHBondContact OH-CD2 3.24Å; Y71-H129 PolarHBondContact OH-NE2 3.35Å; Y71-H129 VanDerWaalsContact OH-NE2 3.14Å; R125-H129 VanDerWaalsContact O-CB 3.23Å; R125-H129 WeakPolarHBondContact O-CB 3.31Å; R125-H129 PolarHBondContact O-N 3.11Å; I126-H129 PolarHBondContact O-N 3.36Å; D127-H129 VanDerWaalsContact C-N 3.32Å; D127-H129 PolarHBondContact O-N 2.99Å; H129-R131 VanDerWaalsContact C-N 3.28Å; H129-R131 PolarHBondContact O-N 2.77Å; H129-S132 WeakPolarHBondContact O-CB 3.48Å; H129-S132 PolarHBondContact O-N 3.16Å; H129-S132 VanDerWaalsContact O-N 3.16Å; H129-S132 PolarHBondContact O-OG 3.38Å; H129-F133 AromaticContact CD2-CE1 3.86Å; H129-F133 AromaticContact CD2-CZ 3.76Å; H129-F133 AromaticContact NE2-CE1 3.59Å; H129-F133 AromaticContact NE2-CZ 3.76Å
130M98Very high95.1Very high0 Ų059.2 Ų59.20%029%0.288CS..Hα-helixtrans-65-30.9177.7-74.1-171.3-6400112.5V68 Y71 I126 D127 S132 F133 L136 L215 Y218V68-M130 HydrophobicContact CG1-CE 3.98Å; V68-M130 HydrophobicContact CG1-SD 4.17Å; V68-M130 HydrophobicContact CG2-SD 4.4Å; Y71-M130 HydrophobicContact CD1-CG 3.42Å; Y71-M130 VanDerWaalsContact CD1-CG 3.42Å; Y71-M130 HydrophobicContact CD1-SD 3.4Å; Y71-M130 WeakPolarHBondContact CD1-SD 3.27Å; Y71-M130 HydrophobicContact CE1-CG 3.72Å; Y71-M130 HydrophobicContact CE1-SD 4.27Å; Y71-M130 HydrophobicContact CG-CG 4.14Å; Y71-M130 HydrophobicContact CG-SD 3.96Å; I126-M130 HydrophobicContact CG1-CE 4.19Å; I126-M130 HydrophobicContact CG1-CG 4.42Å; I126-M130 WeakPolarHBondContact O-CB 3.43Å; I126-M130 WeakPolarHBondContact O-CG 3.26Å; I126-M130 PolarHBondContact O-N 3.15Å; D127-M130 PolarHBondContact O-N 3.21Å; M130-S132 PolarHBondContact O-N 3.02Å; M130-S132 VanDerWaalsContact O-N 3.13Å; M130-F133 HydrophobicContact CB-CD2 4.25Å; M130-F133 HydrophobicContact CB-CE2 4.09Å; M130-F133 HydrophobicContact CG-CD2 4.3Å; M130-F133 HydrophobicContact CG-CE2 3.69Å; M130-F133 HydrophobicContact CG-CZ 4.16Å; M130-F133 WeakPolarHBondContact O-CB 3.32Å; M130-F133 WeakPolarHBondContact O-CG 3.4Å; M130-F133 PolarHBondContact O-N 3Å; M130-L136 HydrophobicContact CB-CD1 4.26Å; M130-L136 WeakPolarHBondContact O-CD1 3.42Å; M130-L215 HydrophobicContact CE-CB 4.07Å; M130-Y218 WeakPolarHBondContact CB-OH 3.25Å
131R95.7Very high94.9Very high82 Ų8256.3 Ų56.331%0.30928%0.279SS..Hα-helixtrans-58.2-25.4174.8-164.4175.4-168.8168.18.1113.1D127 E128 H129 F133 Y218 K221 C222D127-R131 PolarHBondContact O-N 3.35Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 3.4Å; H129-R131 VanDerWaalsContact C-N 3.28Å; H129-R131 PolarHBondContact O-N 2.77Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-Y218 HydrophobicContact CB-CD1 4Å; R131-Y218 HydrophobicContact CB-CE1 3.58Å; R131-Y218 HydrophobicContact CB-CE2 4.35Å; R131-Y218 HydrophobicContact CG-CD1 3.68Å; R131-Y218 HydrophobicContact CG-CD2 4.48Å; R131-Y218 HydrophobicContact CG-CE1 3.83Å; R131-Y218 HydrophobicContact CG-CG 4.04Å; R131-Y218 PolarHBondContact N-OH 2.85Å; R131-K221 PolarHBondContact NH1-O 3.31Å; R131-K221 PolarHBondContact NH2-O 3.06Å; R131-C222 PolarHBondContact NH2-SG 2.95Å
132S94.6Very high94.9Very high64 Ų6461.4 Ų61.445%0.44829%0.294SS..THydrogen-bonded Turntrans-76.9-14.417877.70000114.2H129 M130H129-S132 WeakPolarHBondContact O-CB 3.48Å; H129-S132 PolarHBondContact O-N 3.16Å; H129-S132 VanDerWaalsContact O-N 3.16Å; H129-S132 PolarHBondContact O-OG 3.38Å; M130-S132 PolarHBondContact O-N 3.02Å; M130-S132 VanDerWaalsContact O-N 3.13Å
133F95.9Very high94.8Very high32 Ų3261.4 Ų61.414%0.1429%0.294CS..SBendtrans-67.7137.2-178.5-59.3-14.2000111Y71 H129 M130 R131 D135 L136 R137Y71-F133 HydrophobicContact CD1-CE2 4.33Å; Y71-F133 AromaticContact CD2-CE2 3.81Å; Y71-F133 HydrophobicContact CD2-CE2 3.81Å; Y71-F133 HydrophobicContact CD2-CZ 4.08Å; Y71-F133 HydrophobicContact CE1-CE2 4.31Å; Y71-F133 HydrophobicContact CE1-CZ 4.08Å; Y71-F133 AromaticContact CE2-CE2 3.8Å; Y71-F133 HydrophobicContact CE2-CE2 3.8Å; Y71-F133 AromaticContact CE2-CZ 3.56Å; Y71-F133 HydrophobicContact CE2-CZ 3.56Å; Y71-F133 HydrophobicContact CG-CE2 4.08Å; Y71-F133 AromaticContact CZ-CZ 3.58Å; H129-F133 AromaticContact CD2-CE1 3.86Å; H129-F133 AromaticContact CD2-CZ 3.76Å; H129-F133 AromaticContact NE2-CE1 3.59Å; H129-F133 AromaticContact NE2-CZ 3.76Å; M130-F133 HydrophobicContact CB-CD2 4.25Å; M130-F133 HydrophobicContact CB-CE2 4.09Å; M130-F133 HydrophobicContact CG-CD2 4.3Å; M130-F133 HydrophobicContact CG-CE2 3.69Å; M130-F133 HydrophobicContact CG-CZ 4.16Å; M130-F133 WeakPolarHBondContact O-CB 3.32Å; M130-F133 WeakPolarHBondContact O-CG 3.4Å; M130-F133 PolarHBondContact O-N 3Å; R131-F133 VanDerWaalsContact C-N 3.31Å; F133-D135 VanDerWaalsContact CB-OD1 3.28Å; F133-D135 WeakPolarHBondContact CB-OD1 3.3Å; F133-D135 PolarHBondContact O-N 3.18Å; F133-L136 HydrophobicContact CB-CB 4.46Å; F133-L136 HydrophobicContact CB-CD1 4.2Å; F133-L136 HydrophobicContact CD2-CD1 3.89Å; F133-L136 HydrophobicContact CG-CD1 4.48Å; F133-L136 PolarHBondContact O-N 3.01Å; F133-R137 WeakPolarHBondContact O-CB 3.44Å; F133-R137 PolarHBondContact O-N 3.23Å
134S92.2Very high94.8Very high78 Ų7861.4 Ų61.455%0.54529%0.294SS..Hα-helixtrans-63-40-16952.20000113.6N138S134-N138 WeakPolarHBondContact O-CB 3.44Å; S134-N138 PolarHBondContact O-N 2.79Å; S134-N138 PolarHBondContact O-ND2 3.17Å; S134-N138 PolarHBondContact O-OD1 3.13Å
135D91.4Very high94.8Very high40 Ų4059.5 Ų59.521%0.21428%0.284CS..Hα-helixtrans-66.1-40178.352.8-22.2000112.8R67 F133 N138 G139 M140 D141R67-D135 IonicContact NE-OD2 3.15Å; R67-D135 PolarHBondContact NE-OD2 3.41Å; R67-D135 VanDerWaalsContact NE-OD2 3.15Å; F133-D135 VanDerWaalsContact CB-OD1 3.28Å; F133-D135 WeakPolarHBondContact CB-OD1 3.3Å; F133-D135 PolarHBondContact O-N 3.18Å; D135-N138 WeakPolarHBondContact CA-OD1 3.39Å; D135-N138 PolarHBondContact O-OD1 3.45Å; D135-G139 PolarHBondContact O-N 3.31Å; D135-M140 PolarHBondContact O-N 3.33Å; D135-D141 HydrophobicContact CB-CB 4.32Å; D135-D141 PolarHBondContact O-N 2.83Å
136L91.6Very high94.8Very high8 Ų854.3 Ų54.34%0.04226%0.264CS..Hα-helixtrans-76.4-40.1176-71164.7000111.5V68 M130 F133 G139 D141 Y218V68-L136 HydrophobicContact CG2-CD1 4.22Å; V68-L136 HydrophobicContact CG2-CD2 4.06Å; M130-L136 HydrophobicContact CB-CD1 4.26Å; M130-L136 WeakPolarHBondContact O-CD1 3.42Å; F133-L136 HydrophobicContact CB-CB 4.46Å; F133-L136 HydrophobicContact CB-CD1 4.2Å; F133-L136 HydrophobicContact CD2-CD1 3.89Å; F133-L136 HydrophobicContact CG-CD1 4.48Å; F133-L136 PolarHBondContact O-N 3.01Å; L136-G139 PolarHBondContact O-N 2.9Å; L136-D141 HydrophobicContact CD2-CB 4.05Å; L136-D141 VanDerWaalsContact CD2-OD1 3.31Å; L136-D141 WeakPolarHBondContact CD2-OD1 3.36Å; L136-Y218 HydrophobicContact CB-CD2 4.05Å; L136-Y218 HydrophobicContact CB-CE2 3.85Å; L136-Y218 HydrophobicContact CD1-CE2 4.05Å; L136-Y218 HydrophobicContact CD2-CD2 4.49Å; L136-Y218 HydrophobicContact CD2-CE2 4.18Å; L136-Y218 HydrophobicContact CG-CE2 4.24Å
137R89.1Confident94.8Very high181 Ų18154.4 Ų54.468%0.68327%0.265SS*.Hα-helixtrans-68.1-37.8-178.9-172.2-178.872-150.92.7113F133 G139F133-R137 WeakPolarHBondContact O-CB 3.44Å; F133-R137 PolarHBondContact O-N 3.23Å; R137-G139 VanDerWaalsContact C-N 3.29Å
138N89.1Confident94.8Very high88 Ų8854.4 Ų54.447%0.47127%0.265SS..THydrogen-bonded Turntrans-87.50.8178.972.53.4000113S134 D135 M140S134-N138 WeakPolarHBondContact O-CB 3.44Å; S134-N138 PolarHBondContact O-N 2.79Å; S134-N138 PolarHBondContact O-ND2 3.17Å; S134-N138 PolarHBondContact O-OD1 3.13Å; D135-N138 WeakPolarHBondContact CA-OD1 3.39Å; D135-N138 PolarHBondContact O-OD1 3.45Å; N138-M140 VanDerWaalsContact C-N 3.28Å; N138-M140 PolarHBondContact ND2-SD 3.13Å; N138-M140 VanDerWaalsContact ND2-SD 3.35Å; N138-M140 PolarHBondContact O-N 3.48Å; N138-M140 VanDerWaalsContact OD1-CB 3.26Å; N138-M140 WeakPolarHBondContact OD1-CB 3.23Å; N138-M140 VanDerWaalsContact OD1-CG 3.22Å; N138-M140 WeakPolarHBondContact OD1-CG 3.22Å; N138-M140 PolarHBondContact OD1-N 2.72Å
139G86.8Confident94.7Very high20 Ų2049.4 Ų49.421%0.20624%0.244CC..THydrogen-bonded Turntrans7117.217800000114.9D135 L136 R137 R142D135-G139 PolarHBondContact O-N 3.31Å; L136-G139 PolarHBondContact O-N 2.9Å; R137-G139 VanDerWaalsContact C-N 3.29Å; G139-R142 PolarHBondContact O-NE 2.86Å
140M91.4Very high94.6Very high159 Ų15946.8 Ų46.878%0.78323%0.232SC*.SBendtrans-66.7-41169.7-77.6-178175.500111D135 N138D135-M140 PolarHBondContact O-N 3.33Å; N138-M140 VanDerWaalsContact C-N 3.28Å; N138-M140 PolarHBondContact ND2-SD 3.13Å; N138-M140 VanDerWaalsContact ND2-SD 3.35Å; N138-M140 PolarHBondContact O-N 3.48Å; N138-M140 VanDerWaalsContact OD1-CB 3.26Å; N138-M140 WeakPolarHBondContact OD1-CB 3.23Å; N138-M140 VanDerWaalsContact OD1-CG 3.22Å; N138-M140 WeakPolarHBondContact OD1-CG 3.22Å; N138-M140 PolarHBondContact OD1-N 2.72Å
141D94.7Very high94.5Very high34 Ų3446.9 Ų46.918%0.18223%0.233CC..  trans-108.7129.3168.2-170.4-67.2000108R67 D135 L136 S143R67-D141 WeakPolarHBondContact CB-OD2 3.3Å; D135-D141 HydrophobicContact CB-CB 4.32Å; D135-D141 PolarHBondContact O-N 2.83Å; L136-D141 HydrophobicContact CD2-CB 4.05Å; L136-D141 VanDerWaalsContact CD2-OD1 3.31Å; L136-D141 WeakPolarHBondContact CD2-OD1 3.36Å; D141-S143 WeakPolarHBondContact OD1-CA 3.29Å; D141-S143 WeakPolarHBondContact OD1-CB 3.32Å; D141-S143 PolarHBondContact OD1-N 2.88Å; D141-S143 PolarHBondContact OD1-OG 3.42Å
142R95.9Very high94.4Very high152 Ų15243.4 Ų43.457%0.57422%0.22SC*.  trans-119.224179.1-58.4-173.2-171.9-156.210.1111.3G139 D219G139-R142 PolarHBondContact O-NE 2.86Å; R142-D219 WeakPolarHBondContact CD-OD2 3.49Å; R142-D219 IonicContact CZ-OD2 3.65Å; R142-D219 IonicContact NE-OD2 3.83Å; R142-D219 IonicContact NH1-OD2 2.9Å; R142-D219 PolarHBondContact NH1-OD2 3.01Å
143S97.4Very high94.3Very high0 Ų041 Ų410%020%0.203CC..  trans-66.8150.5-176.161.20000111.6H63 A64 G65 V68 D141 D217H63-S143 CarbonylContact O-C 3.56Å; H63-S143 WeakPolarHBondContact O-CA 3.5Å; H63-S143 WeakPolarHBondContact O-CB 3.4Å; A64-S143 WeakPolarHBondContact O-CA 3.24Å; A64-S143 WeakPolarHBondContact O-CB 3.1Å; A64-S143 PolarHBondContact O-N 2.99Å; G65-S143 WeakPolarHBondContact O-CB 3.36Å; V68-S143 WeakPolarHBondContact CG2-O 3.37Å; V68-S143 WeakPolarHBondContact CG2-OG 3.41Å; V68-S143 PolarHBondContact N-OG 3.41Å; D141-S143 WeakPolarHBondContact OD1-CA 3.29Å; D141-S143 WeakPolarHBondContact OD1-CB 3.32Å; D141-S143 PolarHBondContact OD1-N 2.88Å; D141-S143 PolarHBondContact OD1-OG 3.42Å; S143-D217 PolarHBondContact O-N 2.8Å
144G98.4Very high94Very high0 Ų043.4 Ų43.40%022%0.222CC..EExtended strand (participates in β ladder)trans-129.6173.7163.100000109.4H63 L215H63-G144 PolarHBondContact N-O 3.48Å; H63-G144 WeakPolarHBondContact NE2-CA 3.36Å; H63-G144 PolarHBondContact O-N 3.23Å; G144-L215 CarbonylContact C-O 3.51Å; G144-L215 WeakPolarHBondContact CA-O 3.27Å
145S98.7Very high93.8Very high0 Ų046.1 Ų46.10%023%0.226CC..EExtended strand (participates in β ladder)trans-151.5143.2172.7-165.30000112.3D61 A69 A214 L215D61-S145 CarbonylContact O-C 3.48Å; D61-S145 WeakPolarHBondContact O-CA 2.98Å; D61-S145 WeakPolarHBondContact O-CB 3.38Å; D61-S145 PolarHBondContact O-OG 3.24Å; A69-S145 WeakPolarHBondContact CB-OG 3.41Å; S145-A214 WeakPolarHBondContact O-CA 3.18Å; S145-A214 WeakPolarHBondContact O-CB 3.42Å; S145-L215 PolarHBondContact N-O 2.85Å; S145-L215 PolarHBondContact O-N 3.11Å
146T98.5Very high93.6Very high1 Ų146 Ų461%0.00623%0.225CC..  trans-69.3165.416177.20000110Y60 D61 C162 D164 S165 V211Y60-T146 WeakPolarHBondContact CA-O 3.49Å; D61-T146 HydrophobicContact CB-CG2 4.05Å; D61-T146 WeakPolarHBondContact CB-OG1 3.47Å; D61-T146 PolarHBondContact N-OG1 3.24Å; D61-T146 PolarHBondContact O-N 2.85Å; T146-C162 CarbonylContact C-O 3.55Å; T146-C162 WeakPolarHBondContact CA-O 3.47Å; T146-C162 WeakPolarHBondContact CB-O 3.3Å; T146-D164 WeakPolarHBondContact CG2-OD1 3.45Å; T146-S165 PolarHBondContact OG1-OG 2.76Å; T146-V211 HydrophobicContact CG2-CG1 4.46Å
147A98.4Very high93.5Very high2 Ų246.7 Ų46.72%0.01723%0.227CC..EExtended strand (participates in β ladder)trans-145.1121.1163.100000108.7Y60 L76 F123 N161 C162Y60-A147 HydrophobicContact CD1-CB 3.72Å; Y60-A147 HydrophobicContact CE1-CB 3.86Å; L76-A147 HydrophobicContact CD2-CB 4.37Å; F123-A147 HydrophobicContact CE1-CB 3.82Å; F123-A147 HydrophobicContact CZ-CB 3.88Å; A147-N161 CarbonylContact O-C 3.52Å; A147-C162 PolarHBondContact N-O 3.11Å; A147-C162 PolarHBondContact O-N 2.83Å
148V98.2Very high93.7Very high10 Ų1038.1 Ų38.16%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-120.4135.916771.30000108.9A58 V59 I160 N161 S165 A167A58-V148 CarbonylContact C-O 3.54Å; A58-V148 WeakPolarHBondContact CA-O 3.35Å; V59-V148 HydrophobicContact CB-CG1 4.1Å; V59-V148 PolarHBondContact N-O 3.45Å; V59-V148 PolarHBondContact O-N 3.07Å; V148-I160 CarbonylContact C-O 3.49Å; V148-I160 WeakPolarHBondContact CA-O 3.38Å; V148-N161 HydrophobicContact CG2-CB 4.46Å; V148-S165 VanDerWaalsContact CG1-CB 3.43Å; V148-A167 HydrophobicContact CG2-CB 3.7Å
149G95Very high93.9Very high7 Ų734.3 Ų34.37%0.07217%0.174CC..EExtended strand (participates in β ladder)trans-161.7176.6-177.800000113.8F57 I160F57-G149 CarbonylContact O-C 3.6Å; F57-G149 WeakPolarHBondContact O-CA 3.38Å; G149-I160 PolarHBondContact N-O 3.25Å; G149-I160 PolarHBondContact O-N 3.13Å
150I95.1Very high94.4Very high25 Ų2533.5 Ų33.513%0.12817%0.165CC..EExtended strand (participates in β ladder)trans-137.9127.9176-168.9174.8000108.9F56 F57 L152 F157 F158 F159F56-I150 WeakPolarHBondContact CA-O 3.14Å; F57-I150 HydrophobicContact CB-CG2 3.99Å; F57-I150 HydrophobicContact CD2-CG2 4.15Å; F57-I150 PolarHBondContact N-O 3.2Å; F57-I150 PolarHBondContact O-N 3.46Å; I150-L152 HydrophobicContact CD1-CD2 3.45Å; I150-L152 VanDerWaalsContact CD1-CD2 3.45Å; I150-L152 HydrophobicContact CD1-CG 4.03Å; I150-L152 HydrophobicContact CG1-CD2 3.82Å; I150-L152 HydrophobicContact CG1-CG 3.98Å; I150-L152 HydrophobicContact CG2-CD1 4.45Å; I150-L152 HydrophobicContact CG2-CG 4.4Å; I150-F157 HydrophobicContact CD1-CB 4.17Å; I150-F157 HydrophobicContact CD1-CG 4.45Å; I150-F158 VanDerWaalsContact CA-O 3.32Å; I150-F158 WeakPolarHBondContact CA-O 3.47Å; I150-F159 HydrophobicContact CB-CD1 4.47Å; I150-F159 HydrophobicContact CD1-CD1 4.19Å; I150-F159 HydrophobicContact CD1-CE1 3.68Å; I150-F159 HydrophobicContact CD1-CE2 4.05Å; I150-F159 HydrophobicContact CD1-CZ 3.58Å; I150-F159 HydrophobicContact CG1-CD1 4.35Å; I150-F159 HydrophobicContact CG1-CE1 4.32Å; I150-F159 HydrophobicContact CG1-CZ 4.49Å
151L96.3Very high94.7Very high1 Ų126 Ų261%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-102.8117.6167.717867.9000107.2L46 M51 W54 F56 V115 I119 F158 I160L46-L151 HydrophobicContact CD1-CD1 3.69Å; M51-L151 HydrophobicContact CE-CD2 4.36Å; W54-L151 HydrophobicContact CE3-CD1 3.9Å; W54-L151 HydrophobicContact CE3-CD2 3.98Å; W54-L151 HydrophobicContact CE3-CG 3.7Å; W54-L151 HydrophobicContact CZ3-CD2 3.78Å; W54-L151 HydrophobicContact CZ3-CG 3.88Å; F56-L151 HydrophobicContact CB-CD1 4.18Å; F56-L151 HydrophobicContact CD2-CB 4.1Å; F56-L151 HydrophobicContact CD2-CD1 4.17Å; V115-L151 HydrophobicContact CG1-CD2 3.73Å; I119-L151 HydrophobicContact CD1-CD2 4.35Å; L151-F158 HydrophobicContact CB-CB 4.17Å; L151-F158 PolarHBondContact N-O 2.88Å; L151-F158 WeakPolarHBondContact O-CD2 3.41Å; L151-F158 PolarHBondContact O-N 2.76Å; L151-I160 HydrophobicContact CB-CD1 4.33Å
152L93.9Very high94.8Very high9 Ų924.4 Ų24.45%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-106.1120.1-173.9-68166.8000109L22 W54 S55 F57 I150 F157 V271L22-L152 HydrophobicContact CD1-CD1 3.56Å; L22-L152 HydrophobicContact CD2-CD1 4.48Å; W54-L152 CarbonylContact C-O 3.4Å; W54-L152 WeakPolarHBondContact CA-O 3.37Å; W54-L152 VanDerWaalsContact CB-O 3.29Å; W54-L152 WeakPolarHBondContact CB-O 3.22Å; S55-L152 PolarHBondContact N-O 3.36Å; S55-L152 PolarHBondContact O-N 2.92Å; F57-L152 HydrophobicContact CD2-CD1 4.05Å; F57-L152 HydrophobicContact CE2-CD1 3.91Å; I150-L152 HydrophobicContact CD1-CD2 3.45Å; I150-L152 VanDerWaalsContact CD1-CD2 3.45Å; I150-L152 HydrophobicContact CD1-CG 4.03Å; I150-L152 HydrophobicContact CG1-CD2 3.82Å; I150-L152 HydrophobicContact CG1-CG 3.98Å; I150-L152 HydrophobicContact CG2-CD1 4.45Å; I150-L152 HydrophobicContact CG2-CG 4.4Å; L152-F157 HydrophobicContact CD2-CB 4.21Å; L152-F157 HydrophobicContact CD2-CD1 3.16Å; L152-F157 HydrophobicContact CD2-CD2 4.47Å; L152-F157 HydrophobicContact CD2-CE1 3.58Å; L152-F157 HydrophobicContact CD2-CG 3.69Å; L152-F157 HydrophobicContact CD2-CZ 4.38Å; L152-V271 HydrophobicContact CD1-CG1 4.19Å
153S92.8Very high94.9Very high13 Ų1317.1 Ų17.19%0.0919%0.092CC..  trans-100.4175.2163.783.90000110W54 E155 H156W54-S153 VanDerWaalsContact CD2-CB 3.48Å; S153-E155 PolarHBondContact O-N 2.94Å; S153-E155 PolarHBondContact OG-N 2.88Å; S153-H156 PolarHBondContact N-O 3.21Å; S153-H156 PolarHBondContact OG-N 2.99Å; S153-H156 PolarHBondContact OG-O 3.24Å
154P89.7Confident94.7Very high84 Ų8419.1 Ų19.155%0.54510%0.103SC..SBendtrans-57.4-28.3172.2-25.734.7000114.5D53D53-P154 HydrophobicContact CB-CG 4.2Å; D53-P154 VanDerWaalsContact CG-CG 3.48Å; D53-P154 WeakPolarHBondContact OD2-CG 3.2Å
155E86.3Confident94.4Very high134 Ų13419.9 Ų19.963%0.62611%0.108SC*.SBendtrans-119.4-16-170.3-65.6-179.1176.700113.9S153S153-E155 PolarHBondContact O-N 2.94Å; S153-E155 PolarHBondContact OG-N 2.88Å
156H87.6Confident93.9Very high38 Ų3824.9 Ų24.918%0.17613%0.127CC..  trans-138.9142.4-171.1-63.1-94.9000112.7S153 F158 E241S153-H156 PolarHBondContact N-O 3.21Å; S153-H156 PolarHBondContact OG-N 2.99Å; S153-H156 PolarHBondContact OG-O 3.24Å; H156-F158 HydrophobicContact CB-CD2 4.23Å; H156-F158 HydrophobicContact CB-CE2 3.5Å; H156-F158 HydrophobicContact CB-CZ 3.67Å; H156-E241 IonicContact CE1-OE1 3.75Å; H156-E241 PolarHBondContact CE1-OE1 3.1Å; H156-E241 IonicContact CG-OE1 3.98Å; H156-E241 IonicContact ND1-OE1 2.72Å; H156-E241 PolarHBondContact ND1-OE1 2.9Å
157F90.2Very high93.3Very high23 Ų2325.7 Ų25.710%0.10113%0.134CC..EExtended strand (participates in β ladder)trans-108.6113.5170.7-59.5-11.2000109.1I150 L152 F159 L169 V242 L273I150-F157 HydrophobicContact CD1-CB 4.17Å; I150-F157 HydrophobicContact CD1-CG 4.45Å; L152-F157 HydrophobicContact CD2-CB 4.21Å; L152-F157 HydrophobicContact CD2-CD1 3.16Å; L152-F157 HydrophobicContact CD2-CD2 4.47Å; L152-F157 HydrophobicContact CD2-CE1 3.58Å; L152-F157 HydrophobicContact CD2-CG 3.69Å; L152-F157 HydrophobicContact CD2-CZ 4.38Å; F157-F159 HydrophobicContact CB-CD2 4.37Å; F157-F159 HydrophobicContact CB-CE2 3.9Å; F157-L169 HydrophobicContact CD2-CD1 4.35Å; F157-L169 HydrophobicContact CD2-CD2 4.24Å; F157-L169 HydrophobicContact CE2-CD1 4.28Å; F157-V242 HydrophobicContact CB-CB 4.26Å; F157-V242 PolarHBondContact N-O 3.11Å; F157-V242 PolarHBondContact O-N 2.7Å; F157-L273 HydrophobicContact CE2-CD1 3.93Å; F157-L273 HydrophobicContact CZ-CD1 3.78Å; F157-L273 HydrophobicContact CZ-CD2 3.99Å
158F92.9Very high92.6Very high1 Ų129.2 Ų29.20%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-99.799.5175.6-57.9-86.7000109W54 V112 V115 I119 I150 L151 H156 E241W54-F158 AromaticContact CH2-CE2 3.78Å; W54-F158 HydrophobicContact CH2-CE2 3.78Å; W54-F158 HydrophobicContact CH2-CZ 4.49Å; W54-F158 HydrophobicContact CZ3-CD2 4.06Å; W54-F158 AromaticContact CZ3-CE2 3.74Å; W54-F158 HydrophobicContact CZ3-CE2 3.74Å; V112-F158 HydrophobicContact CG1-CE1 4.2Å; V112-F158 HydrophobicContact CG2-CZ 4.29Å; V115-F158 HydrophobicContact CB-CE1 4.12Å; V115-F158 HydrophobicContact CB-CE2 4.48Å; V115-F158 HydrophobicContact CB-CZ 4.08Å; V115-F158 HydrophobicContact CG1-CD1 3.95Å; V115-F158 HydrophobicContact CG1-CD2 3.93Å; V115-F158 HydrophobicContact CG1-CE1 3.94Å; V115-F158 HydrophobicContact CG1-CE2 3.93Å; V115-F158 HydrophobicContact CG1-CG 3.95Å; V115-F158 HydrophobicContact CG1-CZ 3.93Å; V115-F158 HydrophobicContact CG2-CZ 4.32Å; I119-F158 HydrophobicContact CD1-CB 4.18Å; I150-F158 VanDerWaalsContact CA-O 3.32Å; I150-F158 WeakPolarHBondContact CA-O 3.47Å; L151-F158 HydrophobicContact CB-CB 4.17Å; L151-F158 PolarHBondContact N-O 2.88Å; L151-F158 WeakPolarHBondContact O-CD2 3.41Å; L151-F158 PolarHBondContact O-N 2.76Å; H156-F158 HydrophobicContact CB-CD2 4.23Å; H156-F158 HydrophobicContact CB-CE2 3.5Å; H156-F158 HydrophobicContact CB-CZ 3.67Å; F158-E241 HydrophobicContact CD1-CB 4.18Å; F158-E241 HydrophobicContact CD1-CG 4.24Å; F158-E241 HydrophobicContact CE1-CB 4.25Å; F158-E241 HydrophobicContact CE1-CG 3.92Å
159F93.6Very high91.8Very high7 Ų729.6 Ų29.63%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-77.5134171.4-70.5-90000109.8I150 F157 A167 L169 F177 T179 V239 L240 V242I150-F159 HydrophobicContact CB-CD1 4.47Å; I150-F159 HydrophobicContact CD1-CD1 4.19Å; I150-F159 HydrophobicContact CD1-CE1 3.68Å; I150-F159 HydrophobicContact CD1-CE2 4.05Å; I150-F159 HydrophobicContact CD1-CZ 3.58Å; I150-F159 HydrophobicContact CG1-CD1 4.35Å; I150-F159 HydrophobicContact CG1-CE1 4.32Å; I150-F159 HydrophobicContact CG1-CZ 4.49Å; F157-F159 HydrophobicContact CB-CD2 4.37Å; F157-F159 HydrophobicContact CB-CE2 3.9Å; F159-A167 HydrophobicContact CD1-CB 3.74Å; F159-A167 HydrophobicContact CE1-CB 4.07Å; F159-L169 HydrophobicContact CE2-CD2 4.4Å; F159-L169 HydrophobicContact CZ-CB 3.86Å; F159-L169 HydrophobicContact CZ-CD1 4.24Å; F159-L169 HydrophobicContact CZ-CD2 4.35Å; F159-L169 HydrophobicContact CZ-CG 4.36Å; F159-F177 HydrophobicContact CB-CE1 3.56Å; F159-F177 HydrophobicContact CB-CZ 3.89Å; F159-F177 AromaticContact CD1-CD1 3.98Å; F159-F177 HydrophobicContact CD1-CD1 3.98Å; F159-F177 AromaticContact CD1-CE1 3.63Å; F159-F177 HydrophobicContact CD1-CE1 3.63Å; F159-F177 AromaticContact CD2-CD1 3.72Å; F159-F177 HydrophobicContact CD2-CD1 3.72Å; F159-F177 AromaticContact CD2-CE1 3.48Å; F159-F177 HydrophobicContact CD2-CE1 3.48Å; F159-F177 VanDerWaalsContact CD2-CE1 3.48Å; F159-F177 HydrophobicContact CD2-CZ 4.09Å; F159-F177 HydrophobicContact CE1-CD1 4.01Å; F159-F177 HydrophobicContact CE1-CE1 4.14Å; F159-F177 AromaticContact CE2-CD1 3.76Å; F159-F177 HydrophobicContact CE2-CD1 3.76Å; F159-F177 HydrophobicContact CE2-CE1 4.03Å; F159-F177 HydrophobicContact CE2-CG 4.45Å; F159-F177 AromaticContact CG-CD1 3.83Å; F159-F177 HydrophobicContact CG-CD1 3.83Å; F159-F177 AromaticContact CG-CE1 3.25Å; F159-F177 HydrophobicContact CG-CE1 3.25Å; F159-F177 HydrophobicContact CG-CZ 4Å; F159-F177 AromaticContact CZ-CD1 3.91Å; F159-F177 HydrophobicContact CZ-CD1 3.91Å; F159-F177 HydrophobicContact CZ-CE1 4.33Å; F159-T179 HydrophobicContact CB-CG2 4.09Å; F159-V239 WeakPolarHBondContact O-CA 3.23Å; F159-L240 HydrophobicContact CB-CB 4.42Å; F159-L240 PolarHBondContact N-O 2.71Å; F159-L240 PolarHBondContact O-N 2.81Å; F159-V242 HydrophobicContact CD2-CB 4.45Å; F159-V242 HydrophobicContact CD2-CG2 4.08Å; F159-V242 HydrophobicContact CE2-CB 4.25Å; F159-V242 HydrophobicContact CE2-CG2 4.08Å
160I97.4Very high90.9Very high3 Ų335.7 Ų35.72%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-125.9125.2-173.8-53.9170.9000107F56 I80 I119 F123 V148 G149 L151 P237 E238F56-I160 HydrophobicContact CE2-CD1 4.08Å; I80-I160 HydrophobicContact CD1-CD1 4.47Å; I119-I160 HydrophobicContact CD1-CD1 3.7Å; I119-I160 HydrophobicContact CD1-CG1 3.97Å; I119-I160 HydrophobicContact CG1-CD1 3.89Å; I119-I160 HydrophobicContact CG2-CD1 3.84Å; I119-I160 HydrophobicContact CG2-CG1 3.99Å; I119-I160 HydrophobicContact CG2-CG2 3.77Å; F123-I160 HydrophobicContact CE2-CG2 3.59Å; F123-I160 HydrophobicContact CZ-CG2 3.62Å; V148-I160 CarbonylContact C-O 3.49Å; V148-I160 WeakPolarHBondContact CA-O 3.38Å; G149-I160 PolarHBondContact N-O 3.25Å; G149-I160 PolarHBondContact O-N 3.13Å; L151-I160 HydrophobicContact CB-CD1 4.33Å; I160-P237 HydrophobicContact CG2-CB 3.97Å; I160-E238 WeakPolarHBondContact CA-O 3.33Å
161N97.3Very high89.9Confident2 Ų237 Ų371%0.01118%0.181CC..EExtended strand (participates in β ladder)trans-135.3134.9175.5-169.641.4000112.7A147 V148 G163 S165 T179 L180 H182 P237 E238A147-N161 CarbonylContact O-C 3.52Å; V148-N161 HydrophobicContact CG2-CB 4.46Å; N161-G163 PolarHBondContact ND2-O 3.04Å; N161-G163 VanDerWaalsContact ND2-O 3.16Å; N161-S165 PolarHBondContact OD1-O 2.8Å; N161-S165 VanDerWaalsContact OD1-O 3.11Å; N161-T179 HydrophobicContact CB-CG2 3.93Å; N161-L180 PolarHBondContact ND2-O 3.04Å; N161-H182 PolarHBondContact ND2-ND1 2.81Å; N161-H182 PolarHBondContact O-CE1 2.84Å; N161-H182 VanDerWaalsContact O-CE1 3.24Å; N161-P237 CarbonylContact O-C 3.48Å; N161-P237 WeakPolarHBondContact O-CA 3.18Å; N161-E238 PolarHBondContact N-O 3.22Å; N161-E238 PolarHBondContact O-N 2.67Å
162C98.1Very high88.8Confident0 Ų043.4 Ų43.40%022%0.216CC..EExtended strand (participates in β ladder)trans-145.3106.7171.1-173.10000107.8F123 T146 A147 P237F123-C162 HydrophobicContact CD1-CB 4.2Å; F123-C162 HydrophobicContact CE1-CB 3.61Å; F123-C162 HydrophobicContact CZ-CB 4.5Å; T146-C162 CarbonylContact C-O 3.55Å; T146-C162 WeakPolarHBondContact CA-O 3.47Å; T146-C162 WeakPolarHBondContact CB-O 3.3Å; A147-C162 PolarHBondContact N-O 3.11Å; A147-C162 PolarHBondContact O-N 2.83Å; C162-P237 HydrophobicContact CB-CB 4.41Å
163G97.2Very high87.8Confident0 Ų047.5 Ų47.50%025%0.245CC..SBendtrans105.1-155.9-171.400000113.1N161 H182 R213N161-G163 PolarHBondContact ND2-O 3.04Å; N161-G163 VanDerWaalsContact ND2-O 3.16Å; G163-H182 PolarHBondContact N-ND1 3Å; G163-H182 WeakPolarHBondContact O-CB 3.32Å; G163-H182 PolarHBondContact O-N 3.02Å; G163-H182 PolarHBondContact O-ND1 2.8Å; G163-R213 WeakPolarHBondContact CA-O 3.34Å; G163-R213 PolarHBondContact N-O 3Å
164D93.6Very high86.8Confident41 Ų4153.3 Ų53.322%0.21927%0.271CS..SBendtrans-11712.4-170.466.6-18.1000115.1T146 D181 K183 V211T146-D164 WeakPolarHBondContact CG2-OD1 3.45Å; D164-D181 HydrophobicContact CB-CB 4.06Å; D164-K183 HydrophobicContact CB-CD 4.06Å; D164-K183 IonicContact OD2-NZ 3.71Å; D164-K183 PolarHBondContact OD2-NZ 3.11Å; D164-V211 HydrophobicContact CB-CG1 4.17Å; D164-V211 VanDerWaalsContact OD1-CG1 3.22Å; D164-V211 WeakPolarHBondContact OD1-CG1 3.44Å
165S90.9Very high85.9Confident16 Ų1652.1 Ų52.111%0.11226%0.262CS..  trans-68.8162156.4-520000110T146 V148 N161T146-S165 PolarHBondContact OG1-OG 2.76Å; V148-S165 VanDerWaalsContact CG1-CB 3.43Å; N161-S165 PolarHBondContact OD1-O 2.8Å; N161-S165 VanDerWaalsContact OD1-O 3.11Å
166R89.7Confident85.1Confident105 Ų10546.1 Ų46.140%0.39624%0.235SC..  trans-141.9136.6-169.5-163.8177.6-63.2-178.15.3113.5V168 S178 T179 D181R166-V168 HydrophobicContact CG-CG2 4.33Å; R166-S178 WeakPolarHBondContact CD-OG 3.22Å; R166-T179 WeakPolarHBondContact CA-OG1 3.3Å; R166-D181 IonicContact CZ-OD1 2.96Å; R166-D181 VanDerWaalsContact CZ-OD1 3.22Å; R166-D181 IonicContact CZ-OD2 3.31Å; R166-D181 IonicContact NE-OD1 2.76Å; R166-D181 PolarHBondContact NE-OD1 3.34Å; R166-D181 IonicContact NE-OD2 3.61Å; R166-D181 IonicContact NH2-OD1 3.47Å; R166-D181 PolarHBondContact NH2-OD1 3.16Å; R166-D181 IonicContact NH2-OD2 2.63Å; R166-D181 PolarHBondContact NH2-OD2 2.89Å
167A85.9Confident84.7Confident18 Ų1844.5 Ų44.515%0.14923%0.227CC..  trans-108.7143.6168.500000109.8V148 F159 S178 T179V148-A167 HydrophobicContact CG2-CB 3.7Å; F159-A167 HydrophobicContact CD1-CB 3.74Å; F159-A167 HydrophobicContact CE1-CB 4.07Å; A167-S178 VanDerWaalsContact O-CA 3.31Å; A167-S178 WeakPolarHBondContact O-CA 3.47Å; A167-T179 HydrophobicContact CB-CG2 4.07Å; A167-T179 PolarHBondContact N-OG1 2.92Å; A167-T179 PolarHBondContact O-N 2.83Å
168V82.2Confident84.3Confident76 Ų7643.6 Ų43.646%0.46122%0.224SC..EExtended strand (participates in β ladder)trans-135131.1-177-177.40000108.8R166 V175 F177R166-V168 HydrophobicContact CG-CG2 4.33Å; V168-V175 HydrophobicContact CG1-CB 4.34Å; V168-V175 HydrophobicContact CG1-CG1 3.45Å; V168-V175 VanDerWaalsContact CG1-CG1 3.45Å; V168-V175 HydrophobicContact CG1-CG2 4.03Å; V168-F177 CarbonylContact C-O 3.59Å; V168-F177 WeakPolarHBondContact CA-O 3.46Å
169L82.5Confident83.9Confident18 Ų1843.6 Ų43.69%0.09422%0.224CC..EExtended strand (participates in β ladder)trans-98.9132.7170.4-170.160.6000109.3F157 F159 C176 F177 V242F157-L169 HydrophobicContact CD2-CD1 4.35Å; F157-L169 HydrophobicContact CD2-CD2 4.24Å; F157-L169 HydrophobicContact CE2-CD1 4.28Å; F159-L169 HydrophobicContact CE2-CD2 4.4Å; F159-L169 HydrophobicContact CZ-CB 3.86Å; F159-L169 HydrophobicContact CZ-CD1 4.24Å; F159-L169 HydrophobicContact CZ-CD2 4.35Å; F159-L169 HydrophobicContact CZ-CG 4.36Å; L169-C176 WeakPolarHBondContact CD2-SG 3.39Å; L169-C176 WeakPolarHBondContact CG-SG 3.35Å; L169-C176 PolarHBondContact O-N 3.11Å; L169-F177 HydrophobicContact CB-CB 3.8Å; L169-F177 HydrophobicContact CD2-CB 4.42Å; L169-F177 PolarHBondContact N-O 2.83Å; L169-F177 PolarHBondContact O-N 2.96Å; L169-V242 HydrophobicContact CD2-CG1 4.2Å
170Y75.8Confident83.5Confident135 Ų13547.2 Ų47.253%0.52924%0.243SC..EExtended strand (participates in β ladder)trans-121.6124.8177.6-176.9-95.7000110S173 Q174 V175Y170-S173 VanDerWaalsContact CE2-C 3.49Å; Y170-S173 VanDerWaalsContact CZ-C 3.43Å; Y170-S173 VanDerWaalsContact CZ-CA 3.41Å; Y170-S173 WeakPolarHBondContact OH-CA 3.15Å; Y170-S173 PolarHBondContact OH-O 2.79Å; Y170-Q174 WeakPolarHBondContact CA-O 3.22Å; Y170-Q174 WeakPolarHBondContact CD2-O 3.45Å; Y170-V175 HydrophobicContact CD2-CG2 4.29Å
171R73.1Confident83.2Confident52 Ų5248.3 Ų48.320%0.19625%0.249CC..EExtended strand (participates in β ladder)trans-146.5144-177.4-174178.6-74.6-179.8-5109.1S173 Q174 C176R171-S173 PolarHBondContact O-N 2.9Å; R171-S173 VanDerWaalsContact O-N 3.15Å; R171-Q174 PolarHBondContact N-O 2.89Å; R171-Q174 PolarHBondContact O-N 2.72Å; R171-C176 HydrophobicContact CB-CB 4.26Å; R171-C176 VanDerWaalsContact CB-SG 3.52Å
172N74.3Confident83Confident137 Ų13748.5 Ų48.573%0.73325%0.25SC*.THydrogen-bonded Turntrans49.942.9176.4-61.5-18.6000113.8Q174N172-Q174 VanDerWaalsContact C-N 3.25Å; N172-Q174 PolarHBondContact O-N 3.48Å
173S72.6Confident82.8Confident95 Ų9551 Ų5166%0.66426%0.261SS*.THydrogen-bonded Turntrans65.119-179.9-56.40000116.2Y170 R171Y170-S173 VanDerWaalsContact CE2-C 3.49Å; Y170-S173 VanDerWaalsContact CZ-C 3.43Å; Y170-S173 VanDerWaalsContact CZ-CA 3.41Å; Y170-S173 WeakPolarHBondContact OH-CA 3.15Å; Y170-S173 PolarHBondContact OH-O 2.79Å; R171-S173 PolarHBondContact O-N 2.9Å; R171-S173 VanDerWaalsContact O-N 3.15Å
174Q71.7Confident82.8Confident134 Ų13451 Ų5163%0.62626%0.261SS*.EExtended strand (participates in β ladder)trans-135.8151.4178.9-63-177.6000110.9Y170 R171 N172 C176Y170-Q174 WeakPolarHBondContact CA-O 3.22Å; Y170-Q174 WeakPolarHBondContact CD2-O 3.45Å; R171-Q174 PolarHBondContact N-O 2.89Å; R171-Q174 PolarHBondContact O-N 2.72Å; N172-Q174 VanDerWaalsContact C-N 3.25Å; N172-Q174 PolarHBondContact O-N 3.48Å; Q174-C176 PolarHBondContact O-N 3.02Å
175V71Confident82.7Confident60 Ų6051.5 Ų51.536%0.36427%0.267SS..EExtended strand (participates in β ladder)trans-67.9120.7164.5176.20000106.1V168 Y170 V253V168-V175 HydrophobicContact CG1-CB 4.34Å; V168-V175 HydrophobicContact CG1-CG1 3.45Å; V168-V175 VanDerWaalsContact CG1-CG1 3.45Å; V168-V175 HydrophobicContact CG1-CG2 4.03Å; Y170-V175 HydrophobicContact CD2-CG2 4.29Å; V175-V253 HydrophobicContact CB-CG1 4.37Å; V175-V253 HydrophobicContact CG1-CG1 3.71Å; V175-V253 WeakPolarHBondContact O-CG1 3.43Å
176C69.6Low82.6Confident7 Ų753.3 Ų53.35%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-116.51.6-176.474.80000113.3L169 R171 Q174 V249 V253L169-C176 WeakPolarHBondContact CD2-SG 3.39Å; L169-C176 WeakPolarHBondContact CG-SG 3.35Å; L169-C176 PolarHBondContact O-N 3.11Å; R171-C176 HydrophobicContact CB-CB 4.26Å; R171-C176 VanDerWaalsContact CB-SG 3.52Å; Q174-C176 PolarHBondContact O-N 3.02Å; C176-V249 HydrophobicContact CB-CG1 4.08Å; C176-V249 WeakPolarHBondContact O-CG1 3.48Å; C176-V249 VanDerWaalsContact O-O 3.08Å; C176-V253 VanDerWaalsContact C-CG1 3.49Å; C176-V253 WeakPolarHBondContact O-CG2 3.31Å
177F79.1Confident82.7Confident4 Ų453.1 Ų53.12%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-167.5151.9165.4171.3-90.9000109.4F159 V168 L169 T179 L240 V242F159-F177 HydrophobicContact CB-CE1 3.56Å; F159-F177 HydrophobicContact CB-CZ 3.89Å; F159-F177 AromaticContact CD1-CD1 3.98Å; F159-F177 HydrophobicContact CD1-CD1 3.98Å; F159-F177 AromaticContact CD1-CE1 3.63Å; F159-F177 HydrophobicContact CD1-CE1 3.63Å; F159-F177 AromaticContact CD2-CD1 3.72Å; F159-F177 HydrophobicContact CD2-CD1 3.72Å; F159-F177 AromaticContact CD2-CE1 3.48Å; F159-F177 HydrophobicContact CD2-CE1 3.48Å; F159-F177 VanDerWaalsContact CD2-CE1 3.48Å; F159-F177 HydrophobicContact CD2-CZ 4.09Å; F159-F177 HydrophobicContact CE1-CD1 4.01Å; F159-F177 HydrophobicContact CE1-CE1 4.14Å; F159-F177 AromaticContact CE2-CD1 3.76Å; F159-F177 HydrophobicContact CE2-CD1 3.76Å; F159-F177 HydrophobicContact CE2-CE1 4.03Å; F159-F177 HydrophobicContact CE2-CG 4.45Å; F159-F177 AromaticContact CG-CD1 3.83Å; F159-F177 HydrophobicContact CG-CD1 3.83Å; F159-F177 AromaticContact CG-CE1 3.25Å; F159-F177 HydrophobicContact CG-CE1 3.25Å; F159-F177 HydrophobicContact CG-CZ 4Å; F159-F177 AromaticContact CZ-CD1 3.91Å; F159-F177 HydrophobicContact CZ-CD1 3.91Å; F159-F177 HydrophobicContact CZ-CE1 4.33Å; V168-F177 CarbonylContact C-O 3.59Å; V168-F177 WeakPolarHBondContact CA-O 3.46Å; L169-F177 HydrophobicContact CB-CB 3.8Å; L169-F177 HydrophobicContact CD2-CB 4.42Å; L169-F177 PolarHBondContact N-O 2.83Å; L169-F177 PolarHBondContact O-N 2.96Å; F177-T179 HydrophobicContact CE1-CG2 3.96Å; F177-T179 HydrophobicContact CZ-CG2 4.32Å; F177-L240 HydrophobicContact CE2-CB 3.88Å; F177-L240 HydrophobicContact CE2-CD1 3.77Å; F177-L240 HydrophobicContact CE2-CG 4.32Å; F177-L240 HydrophobicContact CZ-CB 3.58Å; F177-L240 HydrophobicContact CZ-CD1 3.48Å; F177-L240 VanDerWaalsContact CZ-CD1 3.48Å; F177-L240 HydrophobicContact CZ-CG 4.13Å; F177-V242 HydrophobicContact CD2-CG2 3.87Å; F177-V242 HydrophobicContact CE2-CG2 4.2Å; F177-V242 HydrophobicContact CG-CG2 4.1Å
178S81.4Confident83Confident4 Ų462.1 Ų62.13%0.02832%0.318CS..EExtended strand (participates in β ladder)trans-149.4140.1170.8171.20000110.3R166 A167 T256R166-S178 WeakPolarHBondContact CD-OG 3.22Å; A167-S178 VanDerWaalsContact O-CA 3.31Å; A167-S178 WeakPolarHBondContact O-CA 3.47Å; S178-T256 WeakPolarHBondContact OG-CG2 3.41Å
179T85.3Confident83.8Confident1 Ų159 Ų591%0.00630%0.298CS..PPolyproline II helixtrans-67.3152.216857.70000110.8F159 N161 R166 A167 F177F159-T179 HydrophobicContact CB-CG2 4.09Å; N161-T179 HydrophobicContact CB-CG2 3.93Å; R166-T179 WeakPolarHBondContact CA-OG1 3.3Å; A167-T179 HydrophobicContact CB-CG2 4.07Å; A167-T179 PolarHBondContact N-OG1 2.92Å; A167-T179 PolarHBondContact O-N 2.83Å; F177-T179 HydrophobicContact CE1-CG2 3.96Å; F177-T179 HydrophobicContact CZ-CG2 4.32Å
180L83.9Confident84.4Confident83 Ų8363.9 Ų63.944%0.43532%0.315SS..PPolyproline II helixtrans-92.7130.9175.4-64178.1000110.7N161 T256N161-L180 PolarHBondContact ND2-O 3.04Å; L180-T256 HydrophobicContact CD2-CG2 3.6Å; L180-T256 WeakPolarHBondContact CD2-OG1 3.49Å
181D91.6Very high85.5Confident27 Ų2763 Ų6314%0.14432%0.316CS..PPolyproline II helixtrans-67.7134.7177.4-63.18.8000111.3D164 R166 K183 N186D164-D181 HydrophobicContact CB-CB 4.06Å; R166-D181 IonicContact CZ-OD1 2.96Å; R166-D181 VanDerWaalsContact CZ-OD1 3.22Å; R166-D181 IonicContact CZ-OD2 3.31Å; R166-D181 IonicContact NE-OD1 2.76Å; R166-D181 PolarHBondContact NE-OD1 3.34Å; R166-D181 IonicContact NE-OD2 3.61Å; R166-D181 IonicContact NH2-OD1 3.47Å; R166-D181 PolarHBondContact NH2-OD1 3.16Å; R166-D181 IonicContact NH2-OD2 2.63Å; R166-D181 PolarHBondContact NH2-OD2 2.89Å; D181-K183 HydrophobicContact CB-CD 4.3Å; D181-K183 HydrophobicContact CB-CG 4.01Å; D181-K183 PolarHBondContact O-N 3.01Å; D181-K183 WeakPolarHBondContact OD2-CE 3.18Å; D181-N186 PolarHBondContact O-ND2 2.78Å
182H94.4Very high86.7Confident6 Ų661.9 Ų61.93%0.02831%0.312CS..  trans-83.877.1175.3-64.8105000112.1N161 G163 S212 R213 E238N161-H182 PolarHBondContact ND2-ND1 2.81Å; N161-H182 PolarHBondContact O-CE1 2.84Å; N161-H182 VanDerWaalsContact O-CE1 3.24Å; G163-H182 PolarHBondContact N-ND1 3Å; G163-H182 WeakPolarHBondContact O-CB 3.32Å; G163-H182 PolarHBondContact O-N 3.02Å; G163-H182 PolarHBondContact O-ND1 2.8Å; H182-S212 PolarHBondContact O-N 3.16Å; H182-S212 PolarHBondContact O-OG 3.43Å; H182-R213 HydrophobicContact CB-CB 3.92Å; H182-R213 HydrophobicContact CB-CG 3.86Å; H182-R213 VanDerWaalsContact CD2-CD 3.44Å; H182-R213 WeakPolarHBondContact CD2-CD 3Å; H182-R213 PolarHBondContact CD2-NE 2.88Å; H182-E238 IonicContact NE2-OE2 3.78Å
183K93.3Very high87.8Confident52 Ų5255.3 Ų55.323%0.22628%0.277CS..  trans-89.3140.8177.7-57.3-62-174.91760111.8D164 D181 C185 N186D164-K183 HydrophobicContact CB-CD 4.06Å; D164-K183 IonicContact OD2-NZ 3.71Å; D164-K183 PolarHBondContact OD2-NZ 3.11Å; D181-K183 HydrophobicContact CB-CD 4.3Å; D181-K183 HydrophobicContact CB-CG 4.01Å; D181-K183 PolarHBondContact O-N 3.01Å; D181-K183 WeakPolarHBondContact OD2-CE 3.18Å; K183-C185 PolarHBondContact O-N 2.68Å; K183-N186 PolarHBondContact N-ND2 2.83Å; K183-N186 VanDerWaalsContact O-CB 3.3Å; K183-N186 WeakPolarHBondContact O-CB 3.34Å; K183-N186 PolarHBondContact O-N 3.17Å
184P96.3Very high89Confident0 Ų055.8 Ų55.80%027%0.268CS..THydrogen-bonded Turntrans-54.4-27.3176.6-29.737.2000114.9N186 R190 I193 V200 Q203 V205 A210P184-N186 VanDerWaalsContact C-N 3.3Å; P184-N186 PolarHBondContact O-N 2.9Å; P184-R190 WeakPolarHBondContact O-CB 3.44Å; P184-I193 HydrophobicContact CB-CD1 3.97Å; P184-V200 HydrophobicContact CB-CG1 3.92Å; P184-V200 HydrophobicContact CB-CG2 4.17Å; P184-V200 WeakPolarHBondContact O-CG2 3.22Å; P184-Q203 WeakPolarHBondContact CG-O 3.19Å; P184-V205 HydrophobicContact CB-CG2 4.01Å; P184-V205 HydrophobicContact CG-CG2 3.69Å; P184-A210 WeakPolarHBondContact CD-O 3.35Å
185C91.8Very high90.3Very high52 Ų5254 Ų5435%0.35126%0.263SS..THydrogen-bonded Turntrans-76.5-11.7177.955.60000114.6K183K183-C185 PolarHBondContact O-N 2.68Å
186N88.8Confident91.6Very high54 Ų5451.6 Ų51.629%0.28925%0.249SC..SBendtrans-64.6140.8179.1-66.9-2.1000110D181 K183 P184 R188 E189 R190D181-N186 PolarHBondContact O-ND2 2.78Å; K183-N186 PolarHBondContact N-ND2 2.83Å; K183-N186 VanDerWaalsContact O-CB 3.3Å; K183-N186 WeakPolarHBondContact O-CB 3.34Å; K183-N186 PolarHBondContact O-N 3.17Å; P184-N186 VanDerWaalsContact C-N 3.3Å; P184-N186 PolarHBondContact O-N 2.9Å; N186-R188 PolarHBondContact O-N 3.35Å; N186-E189 HydrophobicContact CB-CB 4.2Å; N186-E189 HydrophobicContact CB-CG 3.89Å; N186-E189 PolarHBondContact O-N 3.08Å; N186-E189 VanDerWaalsContact O-N 3.13Å; N186-R190 WeakPolarHBondContact O-CB 3.45Å; N186-R190 PolarHBondContact O-N 2.84Å
187P92.7Very high93Very high100 Ų10054.8 Ų54.865%0.64928%0.284SS*.Hα-helixtrans-53.3-50.3-170.8-30.135.9000114.9R190 E191P187-R190 PolarHBondContact O-N 3.24Å; P187-E191 WeakPolarHBondContact O-CB 3.49Å; P187-E191 PolarHBondContact O-N 2.94Å
188R92.6Very high93.9Very high208 Ų20855.3 Ų55.379%0.78529%0.29SS*.Hα-helixtrans-66.2-38.9179.4-69.2-176.1175.6176.2-0.6112.7N186 R192N186-R188 PolarHBondContact O-N 3.35Å; R188-R192 PolarHBondContact O-N 3.29Å
189E97.4Very high94.6Very high9 Ų957 Ų574%0.04230%0.302CS..Hα-helixtrans-69-44.2179.5-55.1-54.7111.800110.8N186 E191 R192 I193 S212 R213N186-E189 HydrophobicContact CB-CB 4.2Å; N186-E189 HydrophobicContact CB-CG 3.89Å; N186-E189 PolarHBondContact O-N 3.08Å; N186-E189 VanDerWaalsContact O-N 3.13Å; E189-E191 PolarHBondContact O-N 2.72Å; E189-R192 PolarHBondContact O-N 3.01Å; E189-R192 IonicContact OE2-CZ 2.68Å; E189-R192 IonicContact OE2-NH1 3.74Å; E189-R192 PolarHBondContact OE2-NH1 2.83Å; E189-R192 IonicContact OE2-NH2 3.11Å; E189-I193 WeakPolarHBondContact O-CD1 3.31Å; E189-I193 WeakPolarHBondContact O-CG1 3.38Å; E189-I193 PolarHBondContact O-N 2.94Å; E189-S212 WeakPolarHBondContact CG-OG 3.33Å; E189-S212 PolarHBondContact OE2-OG 2.98Å; E189-S212 VanDerWaalsContact OE2-OG 3.12Å; E189-R213 IonicContact OE1-CZ 2.9Å; E189-R213 IonicContact OE1-NE 3.85Å; E189-R213 PolarHBondContact OE1-NE 2.96Å; E189-R213 IonicContact OE1-NH2 3.83Å; E189-R213 PolarHBondContact OE1-NH2 2.92Å; E189-R213 VanDerWaalsContact OE2-CG 3.27Å; E189-R213 WeakPolarHBondContact OE2-CG 3.34Å; E189-R213 IonicContact OE2-CZ 2.76Å; E189-R213 IonicContact OE2-NE 3.15Å; E189-R213 PolarHBondContact OE2-NE 3.48Å; E189-R213 IonicContact OE2-NH2 2.7Å
190R96.2Very high95.2Very high122 Ų12258.5 Ų58.546%0.4631%0.311SS..Hα-helixtrans-60.4-44.7175.9-175.517472.2175.51.1111.6P184 N186 P187 I193 Q194 V200P184-R190 WeakPolarHBondContact O-CB 3.44Å; N186-R190 WeakPolarHBondContact O-CB 3.45Å; N186-R190 PolarHBondContact O-N 2.84Å; P187-R190 PolarHBondContact O-N 3.24Å; R190-I193 PolarHBondContact O-N 3.05Å; R190-Q194 HydrophobicContact CG-CG 4.45Å; R190-Q194 WeakPolarHBondContact O-CB 3.42Å; R190-Q194 VanDerWaalsContact O-CG 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.33Å; R190-Q194 PolarHBondContact O-N 3.03Å; R190-V200 HydrophobicContact CB-CG2 4.28Å; R190-V200 HydrophobicContact CG-CB 4.33Å; R190-V200 HydrophobicContact CG-CG2 3.88Å
191E97.7Very high95.6Very high115 Ų11559.8 Ų59.854%0.53732%0.316SS..Hα-helixtrans-60.2-47.9176.7179.7176.7-16300111.3P187 E189 I193 Q194 N195P187-E191 WeakPolarHBondContact O-CB 3.49Å; P187-E191 PolarHBondContact O-N 2.94Å; E189-E191 PolarHBondContact O-N 2.72Å; E191-I193 PolarHBondContact O-N 2.76Å; E191-Q194 PolarHBondContact O-N 3.13Å; E191-N195 WeakPolarHBondContact O-CB 3.44Å; E191-N195 VanDerWaalsContact O-CG 3.22Å; E191-N195 PolarHBondContact O-N 2.73Å; E191-N195 PolarHBondContact O-ND2 2.9Å
192R98.6Very high95.6Very high29 Ų2966.4 Ų66.411%0.10935%0.35CS..Hα-helixtrans-57.1-48.9174.9-173.1-160.767.3-132.2-5.9111.6R188 E189 Q194 N195 A196 S212 T229 Q231 L232 S234R188-R192 PolarHBondContact O-N 3.29Å; E189-R192 PolarHBondContact O-N 3.01Å; E189-R192 IonicContact OE2-CZ 2.68Å; E189-R192 IonicContact OE2-NH1 3.74Å; E189-R192 PolarHBondContact OE2-NH1 2.83Å; E189-R192 IonicContact OE2-NH2 3.11Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.31Å; R192-N195 PolarHBondContact O-N 2.63Å; R192-A196 WeakPolarHBondContact O-CB 3.26Å; R192-A196 PolarHBondContact O-N 3.24Å; R192-S212 PolarHBondContact NH2-O 3.06Å; R192-T229 WeakPolarHBondContact CD-O 3.42Å; R192-Q231 VanDerWaalsContact CD-O 3.31Å; R192-Q231 WeakPolarHBondContact CD-O 3.31Å; R192-Q231 PolarHBondContact NE-O 3.5Å; R192-L232 PolarHBondContact NH2-O 3.48Å; R192-S234 VanDerWaalsContact NH1-CB 3.3Å
193I98.6Very high95.4Very high0 Ų071.3 Ų71.30%037%0.372CS..Hα-helixtrans-58.2-45.1179.9-70.1158.6000111P184 E189 R190 E191 A196 G197 G198 V200 V205 L232P184-I193 HydrophobicContact CB-CD1 3.97Å; E189-I193 WeakPolarHBondContact O-CD1 3.31Å; E189-I193 WeakPolarHBondContact O-CG1 3.38Å; E189-I193 PolarHBondContact O-N 2.94Å; R190-I193 PolarHBondContact O-N 3.05Å; E191-I193 PolarHBondContact O-N 2.76Å; I193-A196 PolarHBondContact O-N 3.19Å; I193-G197 PolarHBondContact O-N 3.23Å; I193-G198 WeakPolarHBondContact O-CA 3.33Å; I193-G198 PolarHBondContact O-N 3.24Å; I193-V200 HydrophobicContact CB-CG2 4.29Å; I193-V200 HydrophobicContact CD1-CG2 3.81Å; I193-V200 HydrophobicContact CG2-CG2 4Å; I193-V205 HydrophobicContact CD1-CG2 3.79Å; I193-V205 HydrophobicContact CG1-CG2 4.43Å; I193-V205 HydrophobicContact CG2-CG1 4.16Å; I193-L232 WeakPolarHBondContact CG1-O 3.21Å; I193-L232 HydrophobicContact CG2-CD2 4.2Å
194Q98.1Very high95.5Very high104 Ų10474.4 Ų74.449%0.48638%0.383SS..Hα-helixtrans-65.6-43.6178.1-73172.3-25.900111.7R190 E191 R192 A196 G197R190-Q194 HydrophobicContact CG-CG 4.45Å; R190-Q194 WeakPolarHBondContact O-CB 3.42Å; R190-Q194 VanDerWaalsContact O-CG 3.26Å; R190-Q194 WeakPolarHBondContact O-CG 3.33Å; R190-Q194 PolarHBondContact O-N 3.03Å; E191-Q194 PolarHBondContact O-N 3.13Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.31Å; Q194-A196 PolarHBondContact O-N 3.43Å; Q194-G197 PolarHBondContact O-N 2.98Å
195N98.2Very high95.5Very high98 Ų9874.4 Ų74.452%0.52438%0.383SS..Hα-helixtrans-65.6-22.2177.2-72.8-20.5000113.2E191 R192 G197 K226E191-N195 WeakPolarHBondContact O-CB 3.44Å; E191-N195 VanDerWaalsContact O-CG 3.22Å; E191-N195 PolarHBondContact O-N 2.73Å; E191-N195 PolarHBondContact O-ND2 2.9Å; R192-N195 PolarHBondContact O-N 2.63Å; N195-G197 VanDerWaalsContact C-N 3.3Å; N195-K226 WeakPolarHBondContact O-CE 3.44Å; N195-K226 PolarHBondContact O-NZ 2.94Å
196A98.4Very high95.7Very high8 Ų875 Ų757%0.06638%0.382CS..THydrogen-bonded Turntrans-88.38172.600000113.1R192 I193 Q194 G198 V223 E230 L232R192-A196 WeakPolarHBondContact O-CB 3.26Å; R192-A196 PolarHBondContact O-N 3.24Å; I193-A196 PolarHBondContact O-N 3.19Å; Q194-A196 PolarHBondContact O-N 3.43Å; A196-G198 VanDerWaalsContact C-N 3.35Å; A196-V223 HydrophobicContact CB-CG2 4.27Å; A196-V223 WeakPolarHBondContact O-CG2 3.34Å; A196-E230 WeakPolarHBondContact CB-O 3.47Å; A196-L232 HydrophobicContact CB-CD2 3.86Å; A196-L232 HydrophobicContact CB-CG 4.3Å
197G98.1Very high96Very high75 Ų7574 Ų7477%0.77339%0.385SS*.THydrogen-bonded Turntrans82.87.3177.800000114.9I193 Q194 N195I193-G197 PolarHBondContact O-N 3.23Å; Q194-G197 PolarHBondContact O-N 2.98Å; N195-G197 VanDerWaalsContact C-N 3.3Å
198G97.9Very high96.1Very high14 Ų1472.6 Ų72.614%0.14438%0.378CS..  trans-92.3-176.3176.900000113.9I193 A196 N206 L232I193-G198 WeakPolarHBondContact O-CA 3.33Å; I193-G198 PolarHBondContact O-N 3.24Å; A196-G198 VanDerWaalsContact C-N 3.35Å; G198-N206 WeakPolarHBondContact CA-OD1 3.4Å; G198-L232 VanDerWaalsContact CA-CD2 3.49Å
199S97.3Very high96.1Very high41 Ų4163.6 Ų63.629%0.28735%0.345SS..  trans-136.6157.2176.2630000111M201 N206S199-M201 WeakPolarHBondContact OG-CE 3.35Å; S199-N206 PolarHBondContact N-OD1 3.25Å; S199-N206 PolarHBondContact O-N 2.86Å; S199-N206 PolarHBondContact O-OD1 3.49Å; S199-N206 PolarHBondContact OG-OD1 2.76Å
200V96.9Very high96Very high32 Ų3264.8 Ų64.819%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-110.4108171.4179.90000107.7P184 R190 I193 R204P184-V200 HydrophobicContact CB-CG1 3.92Å; P184-V200 HydrophobicContact CB-CG2 4.17Å; P184-V200 WeakPolarHBondContact O-CG2 3.22Å; R190-V200 HydrophobicContact CB-CG2 4.28Å; R190-V200 HydrophobicContact CG-CB 4.33Å; R190-V200 HydrophobicContact CG-CG2 3.88Å; I193-V200 HydrophobicContact CB-CG2 4.29Å; I193-V200 HydrophobicContact CD1-CG2 3.81Å; I193-V200 HydrophobicContact CG2-CG2 4Å; V200-R204 WeakPolarHBondContact CA-O 3.33Å
201M93.1Very high96Very high109 Ų10959.3 Ų59.354%0.53734%0.336SS..EExtended strand (participates in β ladder)trans-102.2115.7177.4-60.3-176.1-175.400108.3S199 Q203 R204S199-M201 WeakPolarHBondContact OG-CE 3.35Å; M201-Q203 PolarHBondContact O-N 3.17Å; M201-R204 PolarHBondContact N-O 3.16Å; M201-R204 PolarHBondContact O-N 3.41Å
202I90.9Very high96Very high166 Ų16653.8 Ų53.885%0.85131%0.311SS*.THydrogen-bonded Turntrans60.8-94.7-172.3-51.8173.8000110.3
203Q90.9Very high96Very high109 Ų10954 Ų5451%0.50931%0.311SS..THydrogen-bonded Turntrans-132.821.5178.2-67-176.56.800111.3P184 M201P184-Q203 WeakPolarHBondContact CG-O 3.19Å; M201-Q203 PolarHBondContact O-N 3.17Å
204R95.3Very high96Very high117 Ų11754 Ų5444%0.44231%0.311SS..EExtended strand (participates in β ladder)trans-126.8139.2-173-64.8178.3177.8-85.5-7.8112.6V200 M201 N206 G207 S208 L209 A210V200-R204 WeakPolarHBondContact CA-O 3.33Å; M201-R204 PolarHBondContact N-O 3.16Å; M201-R204 PolarHBondContact O-N 3.41Å; R204-N206 PolarHBondContact O-N 2.83Å; R204-G207 VanDerWaalsContact CB-C 3.5Å; R204-G207 VanDerWaalsContact CD-O 3.23Å; R204-G207 WeakPolarHBondContact CD-O 3.42Å; R204-G207 PolarHBondContact O-N 2.92Å; R204-S208 WeakPolarHBondContact CD-O 3.45Å; R204-S208 PolarHBondContact NH1-O 2.94Å; R204-L209 CarbonylContact C-O 3.59Å; R204-L209 WeakPolarHBondContact CA-O 3.48Å; R204-L209 WeakPolarHBondContact CB-O 3.23Å; R204-A210 HydrophobicContact CG-CB 4.3Å
205V95.8Very high96.1Very high0 Ų049.1 Ų49.10%029%0.289CS..EExtended strand (participates in β ladder)trans-64.4118.6169.7-171.60000108.4P184 I193 G207 S208 L209 Y220 L232P184-V205 HydrophobicContact CB-CG2 4.01Å; P184-V205 HydrophobicContact CG-CG2 3.69Å; I193-V205 HydrophobicContact CD1-CG2 3.79Å; I193-V205 HydrophobicContact CG1-CG2 4.43Å; I193-V205 HydrophobicContact CG2-CG1 4.16Å; V205-G207 PolarHBondContact O-N 3.48Å; V205-S208 PolarHBondContact O-N 2.82Å; V205-L209 HydrophobicContact CB-CB 4.31Å; V205-L209 PolarHBondContact N-O 3.47Å; V205-L209 PolarHBondContact O-N 2.71Å; V205-Y220 HydrophobicContact CB-CE1 4.44Å; V205-Y220 HydrophobicContact CG1-CD1 4.06Å; V205-Y220 HydrophobicContact CG1-CE1 4.19Å; V205-L232 HydrophobicContact CG1-CB 4.12Å
206N96.4Very high96.1Very high64 Ų6444.4 Ų44.434%0.34226%0.264SS..THydrogen-bonded Turntrans50.629.1-175.8-62.1-23.5000113.8G198 S199 R204 S208G198-N206 WeakPolarHBondContact CA-OD1 3.4Å; S199-N206 PolarHBondContact N-OD1 3.25Å; S199-N206 PolarHBondContact O-N 2.86Å; S199-N206 PolarHBondContact O-OD1 3.49Å; S199-N206 PolarHBondContact OG-OD1 2.76Å; R204-N206 PolarHBondContact O-N 2.83Å; N206-S208 PolarHBondContact O-N 3.17Å
207G94.1Very high96Very high34 Ų3444.4 Ų44.435%0.35126%0.262SS..THydrogen-bonded Turntrans77.1-3.5-176.700000115.3R204 V205R204-G207 VanDerWaalsContact CB-C 3.5Å; R204-G207 VanDerWaalsContact CD-O 3.23Å; R204-G207 WeakPolarHBondContact CD-O 3.42Å; R204-G207 PolarHBondContact O-N 2.92Å; V205-G207 PolarHBondContact O-N 3.48Å
208S94.8Very high96Very high70 Ų7041.7 Ų41.749%0.4923%0.229SC..THydrogen-bonded Turntrans-104.2-65.1-172.4-64.20000113R204 V205 N206 Y220R204-S208 WeakPolarHBondContact CD-O 3.45Å; R204-S208 PolarHBondContact NH1-O 2.94Å; V205-S208 PolarHBondContact O-N 2.82Å; N206-S208 PolarHBondContact O-N 3.17Å; S208-Y220 WeakPolarHBondContact CB-OH 3.09Å
209L93.8Very high95.9Very high20 Ų2045.6 Ų45.611%0.10525%0.247CC..BIsolated β-bridgetrans-92.8128.1-168.7-166.167000112.1R204 V205 V211 Y220 V233R204-L209 CarbonylContact C-O 3.59Å; R204-L209 WeakPolarHBondContact CA-O 3.48Å; R204-L209 WeakPolarHBondContact CB-O 3.23Å; V205-L209 HydrophobicContact CB-CB 4.31Å; V205-L209 PolarHBondContact N-O 3.47Å; V205-L209 PolarHBondContact O-N 2.71Å; L209-V211 HydrophobicContact CD1-CG2 4.15Å; L209-V211 HydrophobicContact CD2-CG2 3.89Å; L209-V211 HydrophobicContact CG-CG2 3.79Å; L209-Y220 HydrophobicContact CB-CE1 4.23Å; L209-Y220 HydrophobicContact CB-CE2 4.46Å; L209-Y220 HydrophobicContact CD2-CD2 4.36Å; L209-Y220 HydrophobicContact CD2-CE2 4.3Å; L209-V233 HydrophobicContact CD2-CG2 3.47Å; L209-V233 VanDerWaalsContact CD2-CG2 3.47Å
210A95.1Very high96Very high33 Ų3345.8 Ų45.827%0.27324%0.241SC..SBendtrans-85-7.7-175.600000114.5P184 R204P184-A210 WeakPolarHBondContact CD-O 3.35Å; R204-A210 HydrophobicContact CG-CB 4.3Å
211V96.5Very high96Very high7 Ų744.5 Ų44.54%0.04223%0.233CC..  trans-108.5147.9175-64.50000110T146 D164 L209 A214T146-V211 HydrophobicContact CG2-CG1 4.46Å; D164-V211 HydrophobicContact CB-CG1 4.17Å; D164-V211 VanDerWaalsContact OD1-CG1 3.22Å; D164-V211 WeakPolarHBondContact OD1-CG1 3.44Å; L209-V211 HydrophobicContact CD1-CG2 4.15Å; L209-V211 HydrophobicContact CD2-CG2 3.89Å; L209-V211 HydrophobicContact CG-CG2 3.79Å; V211-A214 HydrophobicContact CG2-CB 4.29Å
212S97.6Very high96.1Very high0 Ų043.2 Ų43.20%023%0.234CC..SBendtrans-100-16.7174.859.90000112.7H182 E189 R192 V233 S234H182-S212 PolarHBondContact O-N 3.16Å; H182-S212 PolarHBondContact O-OG 3.43Å; E189-S212 WeakPolarHBondContact CG-OG 3.33Å; E189-S212 PolarHBondContact OE2-OG 2.98Å; E189-S212 VanDerWaalsContact OE2-OG 3.12Å; R192-S212 PolarHBondContact NH2-O 3.06Å; S212-V233 WeakPolarHBondContact O-CA 3.31Å; S212-S234 PolarHBondContact O-N 3.41Å
213R98.6Very high96.4Very high33 Ų3337.1 Ų37.113%0.12520%0.204CC..BIsolated β-bridgetrans-132.4138.6176.4-58.2-161.7-166.9178.810110G163 H182 E189 S234 E236G163-R213 WeakPolarHBondContact CA-O 3.34Å; G163-R213 PolarHBondContact N-O 3Å; H182-R213 HydrophobicContact CB-CB 3.92Å; H182-R213 HydrophobicContact CB-CG 3.86Å; H182-R213 VanDerWaalsContact CD2-CD 3.44Å; H182-R213 WeakPolarHBondContact CD2-CD 3Å; H182-R213 PolarHBondContact CD2-NE 2.88Å; E189-R213 IonicContact OE1-CZ 2.9Å; E189-R213 IonicContact OE1-NE 3.85Å; E189-R213 PolarHBondContact OE1-NE 2.96Å; E189-R213 IonicContact OE1-NH2 3.83Å; E189-R213 PolarHBondContact OE1-NH2 2.92Å; E189-R213 VanDerWaalsContact OE2-CG 3.27Å; E189-R213 WeakPolarHBondContact OE2-CG 3.34Å; E189-R213 IonicContact OE2-CZ 2.76Å; E189-R213 IonicContact OE2-NE 3.15Å; E189-R213 PolarHBondContact OE2-NE 3.48Å; E189-R213 IonicContact OE2-NH2 2.7Å; R213-S234 CarbonylContact C-O 3.55Å; R213-S234 WeakPolarHBondContact CA-O 3.4Å; R213-S234 VanDerWaalsContact CB-O 3.25Å; R213-S234 WeakPolarHBondContact CB-O 3.22Å; R213-E236 VanDerWaalsContact CD-O 3.25Å; R213-E236 WeakPolarHBondContact CD-O 3.24Å; R213-E236 PolarHBondContact NH1-O 2.85Å
214A98.5Very high96.7Very high0 Ų039.6 Ų39.60%022%0.221CC..  trans-169.6154.3179.400000110.1S145 V211 D217 K221 V233 S234S145-A214 WeakPolarHBondContact O-CA 3.18Å; S145-A214 WeakPolarHBondContact O-CB 3.42Å; V211-A214 HydrophobicContact CG2-CB 4.29Å; A214-D217 WeakPolarHBondContact CB-OD2 3.25Å; A214-K221 PolarHBondContact O-NZ 3.36Å; A214-V233 HydrophobicContact CB-CG1 4Å; A214-S234 PolarHBondContact N-O 3.26Å; A214-S234 VanDerWaalsContact N-O 3.09Å
215L98.8Very high96.8Very high1 Ų138.2 Ų38.21%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-78.7150.5159.7-66169.9000108.9V68 C72 F123 I126 D127 M130 G144 S145 P235V68-L215 HydrophobicContact CG1-CB 4Å; C72-L215 HydrophobicContact CB-CD1 4.41Å; C72-L215 WeakPolarHBondContact SG-CD1 3.08Å; F123-L215 HydrophobicContact CD1-CD1 4.12Å; F123-L215 HydrophobicContact CD1-CD2 4.02Å; F123-L215 HydrophobicContact CD1-CG 4.19Å; F123-L215 HydrophobicContact CE1-CD1 4.18Å; I126-L215 HydrophobicContact CG2-CD1 4.17Å; I126-L215 HydrophobicContact CG2-CD2 4Å; D127-L215 HydrophobicContact CB-CD2 3.72Å; D127-L215 VanDerWaalsContact OD1-CA 3.32Å; D127-L215 WeakPolarHBondContact OD1-CA 3Å; M130-L215 HydrophobicContact CE-CB 4.07Å; G144-L215 CarbonylContact C-O 3.51Å; G144-L215 WeakPolarHBondContact CA-O 3.27Å; S145-L215 PolarHBondContact N-O 2.85Å; S145-L215 PolarHBondContact O-N 3.11Å; L215-P235 HydrophobicContact CD2-CB 4.06Å
216G98.3Very high96.8Very high0 Ų041.7 Ų41.70%026%0.258CS..EExtended strand (participates in β ladder)trans79.6-140.1-173.900000112.7D127 Y218 K221D127-G216 PolarHBondContact OD1-N 3.02Å; G216-Y218 VanDerWaalsContact C-N 3.3Å; G216-Y218 PolarHBondContact O-N 3.02Å; G216-K221 WeakPolarHBondContact O-CD 3.14Å; G216-K221 WeakPolarHBondContact O-CE 3.39Å; G216-K221 PolarHBondContact O-NZ 3.22Å
217D97.7Very high96.9Very high8 Ų839.9 Ų39.94%0.04325%0.254CS..  trans53.141178.5-68.8-49.4000114.1H63 S143 A214 D219 Y220 V233H63-D217 IonicContact CD2-OD1 3.57Å; H63-D217 IonicContact CE1-OD1 3.88Å; H63-D217 IonicContact CE1-OD2 3.18Å; H63-D217 PolarHBondContact CE1-OD2 3.29Å; H63-D217 IonicContact NE2-OD1 2.79Å; H63-D217 PolarHBondContact NE2-OD1 2.66Å; H63-D217 IonicContact NE2-OD2 2.85Å; H63-D217 PolarHBondContact NE2-OD2 2.97Å; S143-D217 PolarHBondContact O-N 2.8Å; A214-D217 WeakPolarHBondContact CB-OD2 3.25Å; D217-D219 PolarHBondContact O-N 2.96Å; D217-D219 VanDerWaalsContact O-N 3.11Å; D217-Y220 HydrophobicContact CB-CD2 4.09Å; D217-Y220 WeakPolarHBondContact O-CB 3.25Å; D217-Y220 PolarHBondContact O-N 2.96Å; D217-V233 HydrophobicContact CB-CG1 4.31Å
218Y97.8Very high97Very high18 Ų1842.2 Ų42.27%0.07126%0.263CS..G310 helixtrans-64-23.4-169-58.3-61.7000114.6D127 M130 R131 L136 G216 Y220 K221 C222D127-Y218 PolarHBondContact O-OH 2.89Å; M130-Y218 WeakPolarHBondContact CB-OH 3.25Å; R131-Y218 HydrophobicContact CB-CD1 4Å; R131-Y218 HydrophobicContact CB-CE1 3.58Å; R131-Y218 HydrophobicContact CB-CE2 4.35Å; R131-Y218 HydrophobicContact CG-CD1 3.68Å; R131-Y218 HydrophobicContact CG-CD2 4.48Å; R131-Y218 HydrophobicContact CG-CE1 3.83Å; R131-Y218 HydrophobicContact CG-CG 4.04Å; R131-Y218 PolarHBondContact N-OH 2.85Å; L136-Y218 HydrophobicContact CB-CD2 4.05Å; L136-Y218 HydrophobicContact CB-CE2 3.85Å; L136-Y218 HydrophobicContact CD1-CE2 4.05Å; L136-Y218 HydrophobicContact CD2-CD2 4.49Å; L136-Y218 HydrophobicContact CD2-CE2 4.18Å; L136-Y218 HydrophobicContact CG-CE2 4.24Å; G216-Y218 VanDerWaalsContact C-N 3.3Å; G216-Y218 PolarHBondContact O-N 3.02Å; Y218-Y220 PolarHBondContact O-N 2.83Å; Y218-Y220 VanDerWaalsContact O-N 3.11Å; Y218-K221 HydrophobicContact CD1-CD 4.2Å; Y218-K221 PolarHBondContact O-N 3.32Å; Y218-C222 PolarHBondContact O-SG 2.92Å
219D96.2Very high97.2Very high96 Ų9640.3 Ų40.351%0.51325%0.249SC..G310 helixtrans-55.8-25.7170.7-76.3-5.6000111.9R142 D217R142-D219 WeakPolarHBondContact CD-OD2 3.49Å; R142-D219 IonicContact CZ-OD2 3.65Å; R142-D219 IonicContact NE-OD2 3.83Å; R142-D219 IonicContact NH1-OD2 2.9Å; R142-D219 PolarHBondContact NH1-OD2 3.01Å; D217-D219 PolarHBondContact O-N 2.96Å; D217-D219 VanDerWaalsContact O-N 3.11Å
220Y97.8Very high97.4Very high44 Ų4443.8 Ų43.817%0.17327%0.265CS..G310 helixtrans-96.72.7178.5-62.9-92.7000113.7V205 S208 L209 D217 Y218 L232 V233V205-Y220 HydrophobicContact CB-CE1 4.44Å; V205-Y220 HydrophobicContact CG1-CD1 4.06Å; V205-Y220 HydrophobicContact CG1-CE1 4.19Å; S208-Y220 WeakPolarHBondContact CB-OH 3.09Å; L209-Y220 HydrophobicContact CB-CE1 4.23Å; L209-Y220 HydrophobicContact CB-CE2 4.46Å; L209-Y220 HydrophobicContact CD2-CD2 4.36Å; L209-Y220 HydrophobicContact CD2-CE2 4.3Å; D217-Y220 HydrophobicContact CB-CD2 4.09Å; D217-Y220 WeakPolarHBondContact O-CB 3.25Å; D217-Y220 PolarHBondContact O-N 2.96Å; Y218-Y220 PolarHBondContact O-N 2.83Å; Y218-Y220 VanDerWaalsContact O-N 3.11Å; Y220-L232 HydrophobicContact CD1-CB 4.29Å; Y220-L232 HydrophobicContact CD1-CD1 4.23Å; Y220-L232 WeakPolarHBondContact O-CB 3.47Å; Y220-L232 PolarHBondContact O-N 2.79Å; Y220-V233 VanDerWaalsContact CB-CG2 3.5Å; Y220-V233 HydrophobicContact CD1-CG2 4.14Å; Y220-V233 HydrophobicContact CD2-CG2 4.44Å; Y220-V233 HydrophobicContact CG-CG2 3.8Å
221K97.7Very high97.5Very high5 Ų542.7 Ų42.72%0.02225%0.254CS..SBendtrans-120.329.2-174.1-62.5177.9179.2171.30113.2D127 R131 A214 G216 Y218 Q231 V233D127-K221 IonicContact OD1-NZ 3.08Å; D127-K221 PolarHBondContact OD1-NZ 2.89Å; D127-K221 IonicContact OD2-NZ 2.65Å; D127-K221 PolarHBondContact OD2-NZ 3.45Å; R131-K221 PolarHBondContact NH1-O 3.31Å; R131-K221 PolarHBondContact NH2-O 3.06Å; A214-K221 PolarHBondContact O-NZ 3.36Å; G216-K221 WeakPolarHBondContact O-CD 3.14Å; G216-K221 WeakPolarHBondContact O-CE 3.39Å; G216-K221 PolarHBondContact O-NZ 3.22Å; Y218-K221 HydrophobicContact CD1-CD 4.2Å; Y218-K221 PolarHBondContact O-N 3.32Å; K221-Q231 VanDerWaalsContact CA-OE1 3.3Å; K221-Q231 HydrophobicContact CB-CB 4.34Å; K221-Q231 HydrophobicContact CB-CG 4.09Å; K221-Q231 HydrophobicContact CG-CB 4.13Å; K221-Q231 HydrophobicContact CG-CG 4.32Å; K221-Q231 PolarHBondContact O-OE1 2.8Å; K221-V233 VanDerWaalsContact CE-O 3.31Å; K221-V233 WeakPolarHBondContact CE-O 3.22Å; K221-V233 WeakPolarHBondContact CG-O 3.39Å
222C96.1Very high97.6Very high82 Ų8243.2 Ų43.255%0.55426%0.257SS*.  trans-117.525.4-175.3-65.90000113.2R131 Y218 D224R131-C222 PolarHBondContact NH2-SG 2.95Å; Y218-C222 PolarHBondContact O-SG 2.92Å; C222-D224 PolarHBondContact O-N 2.98Å
223V97.6Very high97.6Very high38 Ų3843.2 Ų43.223%0.2326%0.257CS..  trans-81114.1176.7-175.50000109.4A196 K226 Q231 L232A196-V223 HydrophobicContact CB-CG2 4.27Å; A196-V223 WeakPolarHBondContact O-CG2 3.34Å; V223-K226 HydrophobicContact CB-CB 4.29Å; V223-K226 HydrophobicContact CB-CG 4.15Å; V223-K226 HydrophobicContact CG1-CB 4.27Å; V223-K226 HydrophobicContact CG1-CG 3.63Å; V223-K226 PolarHBondContact O-N 3.44Å; V223-Q231 PolarHBondContact O-NE2 2.93Å; V223-L232 HydrophobicContact CG2-CG 4.13Å
224D96.6Very high97.6Very high162 Ų16241.7 Ų41.787%0.86625%0.251SS*.THydrogen-bonded Turntrans-60.9140177.8-69.1-38.2000111.6C222 K226C222-D224 PolarHBondContact O-N 2.98Å; D224-K226 PolarHBondContact O-N 3.35Å
225G96.1Very high97.6Very high87 Ų8741.8 Ų41.890%0.89725%0.251SS*.THydrogen-bonded Turntrans75.16.9179.200000115.1
226K97.6Very high97.6Very high73 Ų7344 Ų4432%0.31726%0.261SS..  trans-110137173.7-66.7-59.4-171.5176.70111.3N195 V223 D224 E230 Q231N195-K226 WeakPolarHBondContact O-CE 3.44Å; N195-K226 PolarHBondContact O-NZ 2.94Å; V223-K226 HydrophobicContact CB-CB 4.29Å; V223-K226 HydrophobicContact CB-CG 4.15Å; V223-K226 HydrophobicContact CG1-CB 4.27Å; V223-K226 HydrophobicContact CG1-CG 3.63Å; V223-K226 PolarHBondContact O-N 3.44Å; D224-K226 PolarHBondContact O-N 3.35Å; K226-E230 HydrophobicContact CB-CB 4.01Å; K226-E230 HydrophobicContact CD-CB 4.03Å; K226-E230 HydrophobicContact CG-CB 4.48Å; K226-Q231 PolarHBondContact O-NE2 3.35Å
227G97.6Very high97.4Very high26 Ų2644.4 Ų44.427%0.26827%0.265SS..  trans-65.3169.617200000112.4T229 E230 Q231G227-T229 PolarHBondContact O-N 3.05Å; G227-T229 VanDerWaalsContact O-N 3.14Å; G227-E230 PolarHBondContact N-OE2 3.31Å; G227-E230 PolarHBondContact O-N 3.32Å; G227-Q231 PolarHBondContact O-NE2 3.3Å
228P97.2Very high97.1Very high83 Ų8346.8 Ų46.854%0.53928%0.275SS..G310 helixtrans-56.5-32.2-178.2-26.835000114.2P235P228-P235 VanDerWaalsContact O-CD 3.25Å; P228-P235 WeakPolarHBondContact O-CD 3.45Å
229T97.6Very high96.6Very high30 Ų3047.3 Ų47.318%0.18428%0.28CS..G310 helixtrans-92.5-1.5-17863.50000113.5L124 R192 G227 S234 E236L124-T229 HydrophobicContact CD1-CG2 4.4Å; L124-T229 HydrophobicContact CD2-CG2 3.8Å; R192-T229 WeakPolarHBondContact CD-O 3.42Å; G227-T229 PolarHBondContact O-N 3.05Å; G227-T229 VanDerWaalsContact O-N 3.14Å; T229-S234 WeakPolarHBondContact CA-OG 3.33Å; T229-E236 HydrophobicContact CG2-CB 3.76Å; T229-E236 HydrophobicContact CG2-CG 4.17Å
230E97.8Very high96Very high94 Ų9444.8 Ų44.844%0.43927%0.267SS..G310 helixtrans-108.910.1-178.6-56179.6120.300112.3A196 K226 G227A196-E230 WeakPolarHBondContact CB-O 3.47Å; K226-E230 HydrophobicContact CB-CB 4.01Å; K226-E230 HydrophobicContact CD-CB 4.03Å; K226-E230 HydrophobicContact CG-CB 4.48Å; G227-E230 PolarHBondContact N-OE2 3.31Å; G227-E230 PolarHBondContact O-N 3.32Å
231Q98.5Very high95.2Very high10 Ų1045.3 Ų45.35%0.04727%0.27CS..SBendtrans-74.1174.5177.8-63.9-61.8-37.600111.9R192 K221 V223 K226 G227 V233R192-Q231 VanDerWaalsContact CD-O 3.31Å; R192-Q231 WeakPolarHBondContact CD-O 3.31Å; R192-Q231 PolarHBondContact NE-O 3.5Å; K221-Q231 VanDerWaalsContact CA-OE1 3.3Å; K221-Q231 HydrophobicContact CB-CB 4.34Å; K221-Q231 HydrophobicContact CB-CG 4.09Å; K221-Q231 HydrophobicContact CG-CB 4.13Å; K221-Q231 HydrophobicContact CG-CG 4.32Å; K221-Q231 PolarHBondContact O-OE1 2.8Å; V223-Q231 PolarHBondContact O-NE2 2.93Å; K226-Q231 PolarHBondContact O-NE2 3.35Å; G227-Q231 PolarHBondContact O-NE2 3.3Å; Q231-V233 WeakPolarHBondContact CB-O 3.41Å; Q231-V233 PolarHBondContact O-N 3.48Å
232L98.3Very high94.3Very high18 Ų1845.3 Ų45.39%0.09427%0.271CS..SBendtrans-59.9-40.1174.7-63.1171.2000111R192 I193 A196 G198 V205 Y220 V223R192-L232 PolarHBondContact NH2-O 3.48Å; I193-L232 WeakPolarHBondContact CG1-O 3.21Å; I193-L232 HydrophobicContact CG2-CD2 4.2Å; A196-L232 HydrophobicContact CB-CD2 3.86Å; A196-L232 HydrophobicContact CB-CG 4.3Å; G198-L232 VanDerWaalsContact CA-CD2 3.49Å; V205-L232 HydrophobicContact CG1-CB 4.12Å; Y220-L232 HydrophobicContact CD1-CB 4.29Å; Y220-L232 HydrophobicContact CD1-CD1 4.23Å; Y220-L232 WeakPolarHBondContact O-CB 3.47Å; Y220-L232 PolarHBondContact O-N 2.79Å; V223-L232 HydrophobicContact CG2-CG 4.13Å
233V98.4Very high92.9Very high0 Ų043.2 Ų43.20%026%0.257CS..SBendtrans-117.2124.9172.2176.60000108.8L209 S212 A214 D217 Y220 K221 Q231L209-V233 HydrophobicContact CD2-CG2 3.47Å; L209-V233 VanDerWaalsContact CD2-CG2 3.47Å; S212-V233 WeakPolarHBondContact O-CA 3.31Å; A214-V233 HydrophobicContact CB-CG1 4Å; D217-V233 HydrophobicContact CB-CG1 4.31Å; Y220-V233 VanDerWaalsContact CB-CG2 3.5Å; Y220-V233 HydrophobicContact CD1-CG2 4.14Å; Y220-V233 HydrophobicContact CD2-CG2 4.44Å; Y220-V233 HydrophobicContact CG-CG2 3.8Å; K221-V233 VanDerWaalsContact CE-O 3.31Å; K221-V233 WeakPolarHBondContact CE-O 3.22Å; K221-V233 WeakPolarHBondContact CG-O 3.39Å; Q231-V233 WeakPolarHBondContact CB-O 3.41Å; Q231-V233 PolarHBondContact O-N 3.48Å
234S98.4Very high91.1Very high1 Ų146.7 Ų46.71%0.00727%0.274CS..BIsolated β-bridgetrans-96.3136.7179.9-178.90000111.3R192 S212 R213 A214 T229 E236R192-S234 VanDerWaalsContact NH1-CB 3.3Å; S212-S234 PolarHBondContact O-N 3.41Å; R213-S234 CarbonylContact C-O 3.55Å; R213-S234 WeakPolarHBondContact CA-O 3.4Å; R213-S234 VanDerWaalsContact CB-O 3.25Å; R213-S234 WeakPolarHBondContact CB-O 3.22Å; A214-S234 PolarHBondContact N-O 3.26Å; A214-S234 VanDerWaalsContact N-O 3.09Å; T229-S234 WeakPolarHBondContact CA-OG 3.33Å; S234-E236 VanDerWaalsContact C-N 3.25Å; S234-E236 VanDerWaalsContact OG-CB 3.25Å; S234-E236 WeakPolarHBondContact OG-CB 3.25Å; S234-E236 PolarHBondContact OG-N 3.33Å; S234-E236 VanDerWaalsContact OG-N 3.11Å
235P98.3Very high89.2Confident1 Ų143.1 Ų43.11%0.00626%0.255CS..  trans-81.8-1.4168.432.8-32.4000113.2F123 L124 D127 L215 P228 P237F123-P235 WeakPolarHBondContact CD1-O 3.16Å; L124-P235 HydrophobicContact CD2-CB 4.44Å; L124-P235 HydrophobicContact CD2-CG 3.73Å; D127-P235 HydrophobicContact CB-CB 3.88Å; D127-P235 HydrophobicContact CB-CG 4.37Å; D127-P235 WeakPolarHBondContact OD2-CB 3.49Å; D127-P235 WeakPolarHBondContact OD2-CG 3.24Å; L215-P235 HydrophobicContact CD2-CB 4.06Å; P228-P235 VanDerWaalsContact O-CD 3.25Å; P228-P235 WeakPolarHBondContact O-CD 3.45Å; P235-P237 WeakPolarHBondContact O-CD 3.22Å
236E98.1Very high86.5Confident47 Ų4743.2 Ų43.222%0.2224%0.235CC..PPolyproline II helixtrans-71.3119.5-174-170.4169.9-132.700112.3R120 R213 T229 S234R120-E236 HydrophobicContact CG-CG 4.43Å; R120-E236 IonicContact CZ-OE1 3.54Å; R120-E236 IonicContact NE-OE1 3.88Å; R120-E236 PolarHBondContact NE-OE1 2.85Å; R120-E236 IonicContact NH2-OE1 2.69Å; R120-E236 PolarHBondContact NH2-OE1 3.12Å; R213-E236 VanDerWaalsContact CD-O 3.25Å; R213-E236 WeakPolarHBondContact CD-O 3.24Å; R213-E236 PolarHBondContact NH1-O 2.85Å; T229-E236 HydrophobicContact CG2-CB 3.76Å; T229-E236 HydrophobicContact CG2-CG 4.17Å; S234-E236 VanDerWaalsContact C-N 3.25Å; S234-E236 VanDerWaalsContact OG-CB 3.25Å; S234-E236 WeakPolarHBondContact OG-CB 3.25Å; S234-E236 PolarHBondContact OG-N 3.33Å; S234-E236 VanDerWaalsContact OG-N 3.11Å
237P95.3Very high83.9Confident10 Ų1046.9 Ų46.97%0.06525%0.253CS..PPolyproline II helixtrans-76.5149.5176.733.4-35.3000110.7I119 F123 I160 N161 C162 P235 V239I119-P237 HydrophobicContact CG2-CG 4.07Å; F123-P237 HydrophobicContact CB-CG 3.94Å; F123-P237 HydrophobicContact CD1-CB 3.99Å; F123-P237 HydrophobicContact CD1-CG 4.06Å; F123-P237 HydrophobicContact CD2-CB 4.08Å; F123-P237 HydrophobicContact CD2-CG 3.68Å; F123-P237 HydrophobicContact CE1-CB 3.99Å; F123-P237 HydrophobicContact CE1-CG 4.49Å; F123-P237 HydrophobicContact CE2-CB 4.07Å; F123-P237 HydrophobicContact CE2-CG 4.14Å; F123-P237 HydrophobicContact CG-CB 4.03Å; F123-P237 HydrophobicContact CG-CG 3.62Å; F123-P237 HydrophobicContact CZ-CB 4.02Å; I160-P237 HydrophobicContact CG2-CB 3.97Å; N161-P237 CarbonylContact O-C 3.48Å; N161-P237 WeakPolarHBondContact O-CA 3.18Å; C162-P237 HydrophobicContact CB-CB 4.41Å; P235-P237 WeakPolarHBondContact O-CD 3.22Å; P237-V239 HydrophobicContact CB-CG2 4.49Å; P237-V239 HydrophobicContact CG-CG2 4.32Å
238E91Very high81.4Confident58 Ų5853.1 Ų53.127%0.27127%0.268SS..EExtended strand (participates in β ladder)trans-82.9131.3156.8-173.8171.4-167.400108.7I160 N161 H182 L240I160-E238 WeakPolarHBondContact CA-O 3.33Å; N161-E238 PolarHBondContact N-O 3.22Å; N161-E238 PolarHBondContact O-N 2.67Å; H182-E238 IonicContact NE2-OE2 3.78Å; E238-L240 HydrophobicContact CG-CD1 4.25Å; E238-L240 HydrophobicContact CG-CG 4.16Å
239V87.6Confident78.7Confident29 Ų2949.4 Ų49.418%0.17624%0.244CC..EExtended strand (participates in β ladder)trans-121112.5178.6-171.50000108.7K116 I119 F159 P237K116-V239 HydrophobicContact CB-CG1 4.48Å; K116-V239 HydrophobicContact CG-CG1 3.99Å; I119-V239 HydrophobicContact CB-CG2 3.95Å; I119-V239 HydrophobicContact CD1-CG1 3.7Å; I119-V239 HydrophobicContact CD1-CG2 4.42Å; I119-V239 HydrophobicContact CG2-CG2 3.49Å; I119-V239 VanDerWaalsContact CG2-CG2 3.49Å; F159-V239 WeakPolarHBondContact O-CA 3.23Å; P237-V239 HydrophobicContact CB-CG2 4.49Å; P237-V239 HydrophobicContact CG-CG2 4.32Å
240L82.9Confident75.7Confident43 Ų4351 Ų5123%0.22526%0.256CS..EExtended strand (participates in β ladder)trans-110.3120.1-179.9-71.2162.6000108.5F159 F177 E238F159-L240 HydrophobicContact CB-CB 4.42Å; F159-L240 PolarHBondContact N-O 2.71Å; F159-L240 PolarHBondContact O-N 2.81Å; F177-L240 HydrophobicContact CE2-CB 3.88Å; F177-L240 HydrophobicContact CE2-CD1 3.77Å; F177-L240 HydrophobicContact CE2-CG 4.32Å; F177-L240 HydrophobicContact CZ-CB 3.58Å; F177-L240 HydrophobicContact CZ-CD1 3.48Å; F177-L240 VanDerWaalsContact CZ-CD1 3.48Å; F177-L240 HydrophobicContact CZ-CG 4.13Å; E238-L240 HydrophobicContact CG-CD1 4.25Å; E238-L240 HydrophobicContact CG-CG 4.16Å
241E81.6Confident73Confident54 Ų5451.9 Ų51.925%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-94120.1177177.6-160.9177.300108.8V112 K116 H156 F158V112-E241 HydrophobicContact CG1-CG 4.38Å; V112-E241 WeakPolarHBondContact CG1-OE1 3.29Å; V112-E241 WeakPolarHBondContact CG1-OE2 3.36Å; V112-E241 WeakPolarHBondContact CG2-OE1 3.36Å; K116-E241 WeakPolarHBondContact CE-OE2 3.18Å; K116-E241 IonicContact NZ-OE2 2.79Å; K116-E241 PolarHBondContact NZ-OE2 2.76Å; H156-E241 IonicContact CE1-OE1 3.75Å; H156-E241 PolarHBondContact CE1-OE1 3.1Å; H156-E241 IonicContact CG-OE1 3.98Å; H156-E241 IonicContact ND1-OE1 2.72Å; H156-E241 PolarHBondContact ND1-OE1 2.9Å; F158-E241 HydrophobicContact CD1-CB 4.18Å; F158-E241 HydrophobicContact CD1-CG 4.24Å; F158-E241 HydrophobicContact CE1-CB 4.25Å; F158-E241 HydrophobicContact CE1-CG 3.92Å
242V77.4Confident70.2Confident5 Ų555.2 Ų55.23%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-106.4121169.5167.80000107.9F157 F159 L169 F177 V249F157-V242 HydrophobicContact CB-CB 4.26Å; F157-V242 PolarHBondContact N-O 3.11Å; F157-V242 PolarHBondContact O-N 2.7Å; F159-V242 HydrophobicContact CD2-CB 4.45Å; F159-V242 HydrophobicContact CD2-CG2 4.08Å; F159-V242 HydrophobicContact CE2-CB 4.25Å; F159-V242 HydrophobicContact CE2-CG2 4.08Å; L169-V242 HydrophobicContact CD2-CG1 4.2Å; F177-V242 HydrophobicContact CD2-CG2 3.87Å; F177-V242 HydrophobicContact CE2-CG2 4.2Å; F177-V242 HydrophobicContact CG-CG2 4.1Å; V242-V249 HydrophobicContact CB-CG2 4.46Å; V242-V249 HydrophobicContact CG1-CG1 4.33Å; V242-V249 HydrophobicContact CG1-CG2 3.47Å; V242-V249 VanDerWaalsContact CG1-CG2 3.47Å
243C67.4Low67.4Low38 Ų3854.9 Ų54.926%0.25728%0.278SS..  trans-102.9179.2170.467.10000110.5D245C243-D245 PolarHBondContact O-N 3.09Å
244D60.6Low64.3Low111 Ų11160.9 Ų60.959%0.59431%0.314SS*.SBendtrans-70.73.2-177.3-71.1-29.8000115.2L246D244-L246 PolarHBondContact O-N 2.69Å; D244-L246 VanDerWaalsContact O-N 3.16Å
245D55.9Low61.5Low87 Ų8767.7 Ų67.747%0.46535%0.35SS..  trans-76.199.9174.5-172.8-11.2000111.8C243 E247 V249C243-D245 PolarHBondContact O-N 3.09Å; D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact O-N 2.87Å; D245-E247 PolarHBondContact OD1-N 3.34Å; D245-V249 VanDerWaalsContact O-CG2 3.31Å; D245-V249 WeakPolarHBondContact O-CG2 3.27Å; D245-V249 PolarHBondContact O-N 2.72Å
246L39.7Very low58.8Low90 Ų9068.6 Ų68.647%0.47136%0.356SS..Hα-helixtrans-65.6-27.4-171-60177.4000114.7D244 C250D244-L246 PolarHBondContact O-N 2.69Å; D244-L246 VanDerWaalsContact O-N 3.16Å; L246-C250 PolarHBondContact O-N 2.82Å; L246-C250 PolarHBondContact O-SG 2.85Å
247E42.4Very low55.6Low149 Ų14970 Ų7070%0.69637%0.37SS*.Hα-helixtrans-76.5-40.9-176.3-172.2173.3179.500111D245 C250 N251D245-E247 VanDerWaalsContact C-N 3.33Å; D245-E247 PolarHBondContact O-N 2.87Å; D245-E247 PolarHBondContact OD1-N 3.34Å; E247-C250 PolarHBondContact O-N 3.11Å; E247-N251 PolarHBondContact O-N 2.82Å; E247-N251 PolarHBondContact O-ND2 2.82Å
248R44.4Very low52.6Low157 Ų15776 Ų7659%0.59240%0.401SS*.Hα-helixtrans-65.4-40.5177.4-171.1172.2175.7176.1-3.5112N251R248-N251 PolarHBondContact O-N 2.9Å
249V41.4Very low50.2Low6 Ų681 Ų814%0.03642%0.424CS..Hα-helixtrans-62.5-44.4178.7173.10000111.4C176 V242 D245 N251 V253C176-V249 HydrophobicContact CB-CG1 4.08Å; C176-V249 WeakPolarHBondContact O-CG1 3.48Å; C176-V249 VanDerWaalsContact O-O 3.08Å; V242-V249 HydrophobicContact CB-CG2 4.46Å; V242-V249 HydrophobicContact CG1-CG1 4.33Å; V242-V249 HydrophobicContact CG1-CG2 3.47Å; V242-V249 VanDerWaalsContact CG1-CG2 3.47Å; D245-V249 VanDerWaalsContact O-CG2 3.31Å; D245-V249 WeakPolarHBondContact O-CG2 3.27Å; D245-V249 PolarHBondContact O-N 2.72Å; V249-N251 PolarHBondContact O-N 2.91Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å
250C34.7Very low47.9Very low63 Ų6389 Ų8943%0.42646%0.456SS..Hα-helixtrans-69.7-28.2-178-70.60000114.8L246 E247 V253L246-C250 PolarHBondContact O-N 2.82Å; L246-C250 PolarHBondContact O-SG 2.85Å; E247-C250 PolarHBondContact O-N 3.11Å; C250-V253 WeakPolarHBondContact O-CG2 3.38Å
251N41.2Very low46.1Very low112 Ų11290.8 Ų90.860%0.59949%0.485SS*.Hα-helixtrans-73.9-28.4-178.6-72.3-31.9000113E247 R248 V249 V253E247-N251 PolarHBondContact O-N 2.82Å; E247-N251 PolarHBondContact O-ND2 2.82Å; R248-N251 PolarHBondContact O-N 2.9Å; V249-N251 PolarHBondContact O-N 2.91Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.04Å
252E39.4Very low44.4Very low81 Ų8191.8 Ų91.838%0.37950%0.498SS..THydrogen-bonded Turntrans-82.9-4.2-176-66.4176.8177.700113.7
253V39.3Very low43.1Very low11 Ų11101 Ų1017%0.06753%0.532CS..THydrogen-bonded Turntrans-101.9-33.2-165.3-156.60000113.9V175 C176 V249 C250 N251 D255 T256V175-V253 HydrophobicContact CB-CG1 4.37Å; V175-V253 HydrophobicContact CG1-CG1 3.71Å; V175-V253 WeakPolarHBondContact O-CG1 3.43Å; C176-V253 VanDerWaalsContact C-CG1 3.49Å; C176-V253 WeakPolarHBondContact O-CG2 3.31Å; V249-V253 WeakPolarHBondContact O-CG2 3.4Å; C250-V253 WeakPolarHBondContact O-CG2 3.38Å; N251-V253 VanDerWaalsContact C-N 3.3Å; N251-V253 PolarHBondContact O-N 3.04Å; V253-D255 PolarHBondContact O-N 3.1Å; V253-T256 PolarHBondContact O-N 3.44Å
254V34.5Very low43.3Very low126 Ų126101.1 Ų101.176%0.76453%0.531SS*.THydrogen-bonded Turntrans-58-21.9-175.2175.10000110.8
255D37.8Very low43.4Very low143 Ų14396.2 Ų96.277%0.76550%0.504SS*.THydrogen-bonded Turntrans-85-12-174.1-67.2-21.9000115.5V253V253-D255 PolarHBondContact O-N 3.1Å
256T42.1Very low43.6Very low20 Ų2096 Ų9612%0.12350%0.502CS..  trans-113.4-10.1-153.9-55.90000118S178 L180 V253S178-T256 WeakPolarHBondContact OG-CG2 3.41Å; L180-T256 HydrophobicContact CD2-CG2 3.6Å; L180-T256 WeakPolarHBondContact CD2-OG1 3.49Å; V253-T256 PolarHBondContact O-N 3.44Å
257C31.4Very low44.1Very low77 Ų7793.1 Ų93.152%0.5249%0.489SS..  trans-106.2110.4-169.1-67.90000115.8
258L32.5Very low44.7Very low136 Ų13691.1 Ų91.171%0.71248%0.482SS*.  trans-154.7106.4158.6-154.372.7000114.8
259H39.6Very low44.9Very low162 Ų16285.3 Ų85.375%0.7546%0.463SS*.  trans50146.4156.9-57.8104.4000122.7
260K38.8Very low45.3Very low198 Ų19890 Ų9086%0.86149%0.488SS*.  173146.4119.1-90.5158.3-170.2-172.20115.1S262K260-S262 PolarHBondContact O-N 3.16Å
261G45.9Very low46.4Very low81 Ų8189.2 Ų89.284%0.83548%0.481SS*.  trans-79.4108.8174.700000112.9
262S46.3Very low47.5Very low74 Ų7485.6 Ų85.652%0.51746%0.464SS..  trans-75.2145.7-173.9-1740000113.7K260 D264K260-S262 PolarHBondContact O-N 3.16Å; S262-D264 WeakPolarHBondContact OG-CB 3Å; S262-D264 PolarHBondContact OG-N 2.85Å; S262-D264 VanDerWaalsContact OG-N 3.17Å
263R50.8Low49.5Very low198 Ų19884.3 Ų84.375%0.74746%0.459SS*.  trans-123.922168.7-71.4-175.4162.2178.5-5.3111.3
264D69.7Low51.2Low42 Ų4287.6 Ų87.623%0.22548%0.481CS..SBendtrans-99.1179.1-172.7-142.4-32.5000112.2R33 S262R33-D264 VanDerWaalsContact CZ-CG 3.45Å; R33-D264 IonicContact CZ-OD1 3.52Å; R33-D264 IonicContact CZ-OD2 2.8Å; R33-D264 IonicContact NE-OD1 2.88Å; R33-D264 IonicContact NH1-OD1 2.79Å; R33-D264 PolarHBondContact NH1-OD1 3.47Å; R33-D264 IonicContact NH1-OD2 2.85Å; R33-D264 IonicContact NH2-OD1 3.58Å; R33-D264 PolarHBondContact NH2-OD1 2.83Å; R33-D264 IonicContact NH2-OD2 2.82Å; R33-D264 PolarHBondContact NH2-OD2 3.03Å; S262-D264 WeakPolarHBondContact OG-CB 3Å; S262-D264 PolarHBondContact OG-N 2.85Å; S262-D264 VanDerWaalsContact OG-N 3.17Å
265N63.9Low53.3Low8 Ų889.3 Ų89.34%0.04349%0.486CS..  trans-53.5146.8153.3-64.2148.3000108.5Q30 R33 E35 M36 E37 D38Q30-N265 PolarHBondContact O-ND2 3.32Å; R33-N265 WeakPolarHBondContact CB-ND2 3.38Å; E35-N265 PolarHBondContact O-ND2 2.76Å; E35-N265 VanDerWaalsContact O-ND2 3.16Å; E35-N265 PolarHBondContact O-OD1 2.87Å; M36-N265 HydrophobicContact SD-CB 4.02Å; E37-N265 PolarHBondContact N-OD1 3.4Å; E37-N265 VanDerWaalsContact N-OD1 3.1Å; D38-N265 VanDerWaalsContact OD1-CB 3.24Å; D38-N265 WeakPolarHBondContact OD1-CB 3.24Å
266M58.9Low54.6Low83 Ų8383.6 Ų83.641%0.40946%0.459SS..EExtended strand (participates in β ladder)trans-134.8121.7-177.2-68.9-178.2-66.400109.7S28 M29 D38S28-M266 WeakPolarHBondContact CA-O 3.46Å; M29-M266 HydrophobicContact CE-CE 3.25Å; M29-M266 PolarHBondContact N-O 2.81Å; M29-M266 PolarHBondContact O-N 3.34Å; D38-M266 PolarHBondContact OD2-N 3.23Å
267S51.2Low55.9Low28 Ų2888.1 Ų88.120%0.19649%0.489CS..EExtended strand (participates in β ladder)trans-128.8133.6173-63.50000109.8S27 S28 D38S27-S267 WeakPolarHBondContact O-CA 3.18Å; S28-S267 WeakPolarHBondContact CB-OG 3.25Å; D38-S267 WeakPolarHBondContact CB-OG 3.31Å; D38-S267 WeakPolarHBondContact OD2-CB 3.36Å; D38-S267 PolarHBondContact OD2-N 3.38Å; D38-S267 PolarHBondContact OD2-OG 3.08Å
268I54.9Low58.1Low107 Ų10791.6 Ų91.655%0.54950%0.495SS..EExtended strand (participates in β ladder)trans-134.2137.5175.6-172.8170.1000110.1L26 S27L26-I268 VanDerWaalsContact CA-O 3.23Å; L26-I268 WeakPolarHBondContact CA-O 3.45Å; L26-I268 WeakPolarHBondContact CB-O 3.12Å; S27-I268 PolarHBondContact N-O 3.16Å; S27-I268 VanDerWaalsContact N-O 3.11Å; S27-I268 PolarHBondContact O-N 3.47Å
269V49.2Very low60.1Low35 Ų3591.2 Ų91.221%0.21250%0.498CS..EExtended strand (participates in β ladder)trans-116.6121.9166.9-1780000107.8L26 F57 V59 V271L26-V269 HydrophobicContact CB-CB 4.44Å; L26-V269 HydrophobicContact CB-CG2 3.94Å; L26-V269 HydrophobicContact CD2-CG2 4.49Å; F57-V269 HydrophobicContact CB-CG1 4.09Å; F57-V269 HydrophobicContact CD1-CG1 3.83Å; F57-V269 HydrophobicContact CG-CG1 4.22Å; V59-V269 HydrophobicContact CG2-CB 4.47Å; V59-V269 HydrophobicContact CG2-CG2 3.72Å; V269-V271 HydrophobicContact CG1-CG2 4.11Å
270L49.3Very low61.8Low104 Ų10486.1 Ų86.155%0.54548%0.48SS..EExtended strand (participates in β ladder)trans-107.2120.7175.5-170.398.6000108.9F24 G25F24-L270 CarbonylContact C-O 3.59Å; F24-L270 WeakPolarHBondContact CA-O 3.19Å; G25-L270 PolarHBondContact N-O 3.16Å; G25-L270 PolarHBondContact O-N 2.77Å
271V57.7Low64Low47 Ų4783.5 Ų83.529%0.28547%0.471SS..EExtended strand (participates in β ladder)trans-112.8120.7176.4-173.80000109.3L22 F24 F57 L152 V269L22-V271 HydrophobicContact CB-CG1 4.43Å; L22-V271 HydrophobicContact CD1-CG1 4.48Å; L22-V271 HydrophobicContact CD2-CG1 4.33Å; F24-V271 HydrophobicContact CB-CG2 4.31Å; F57-V271 HydrophobicContact CB-CG2 4.43Å; F57-V271 HydrophobicContact CD1-CG2 4.1Å; F57-V271 HydrophobicContact CD2-CG2 3.65Å; F57-V271 HydrophobicContact CE1-CG2 4.27Å; F57-V271 HydrophobicContact CE2-CG1 4.09Å; F57-V271 HydrophobicContact CE2-CG2 3.83Å; F57-V271 HydrophobicContact CG-CG2 3.78Å; F57-V271 HydrophobicContact CZ-CG1 4.49Å; F57-V271 HydrophobicContact CZ-CG2 4.13Å; L152-V271 HydrophobicContact CD1-CG1 4.19Å; V269-V271 HydrophobicContact CG1-CG2 4.11Å
272C64.7Low65.8Low36 Ų3684.9 Ų84.924%0.24346%0.456CS..EExtended strand (participates in β ladder)trans-100121.7179-69.40000110.7R23 A276R23-C272 HydrophobicContact CB-CB 4.3Å; R23-C272 PolarHBondContact N-O 2.89Å; R23-C272 VanDerWaalsContact N-O 3.15Å; R23-C272 PolarHBondContact O-N 2.89Å; C272-A276 HydrophobicContact CB-CB 3.9Å
273L80.4Confident66.9Low54 Ų5484 Ų8428%0.28345%0.454SS..  trans-75.8163.5167.3-60.4178.6000110.8L22 F157 N275 A276L22-L273 HydrophobicContact CD2-CD2 3.55Å; F157-L273 HydrophobicContact CE2-CD1 3.93Å; F157-L273 HydrophobicContact CZ-CD1 3.78Å; F157-L273 HydrophobicContact CZ-CD2 3.99Å; L273-N275 PolarHBondContact O-N 2.83Å; L273-A276 WeakPolarHBondContact O-CB 3.4Å; L273-A276 PolarHBondContact O-N 3.45Å
274P75.4Confident67.9Low80 Ų8078.1 Ų78.152%0.51944%0.439SS..THydrogen-bonded Turntrans-51.6-37.1-177.6-30.735.8000114.6G21 A276 K278G21-P274 WeakPolarHBondContact O-CD 3.36Å; G21-P274 WeakPolarHBondContact O-CG 3.46Å; P274-A276 VanDerWaalsContact C-N 3.32Å; P274-A276 PolarHBondContact O-N 3.23Å; P274-K278 PolarHBondContact O-NZ 3.18Å
275N78.3Confident68.6Low162 Ų16284.1 Ų84.187%0.86646%0.459SS*.THydrogen-bonded Turntrans-88.911.7-179-65.4-27.6000114.2L273L273-N275 PolarHBondContact O-N 2.83Å
276A65.1Low69.4Low24 Ų2490.8 Ų90.820%0.19848%0.483CS..SBendtrans-55.5143.7172.900000110.7C272 L273 P274 K278C272-A276 HydrophobicContact CB-CB 3.9Å; L273-A276 WeakPolarHBondContact O-CB 3.4Å; L273-A276 PolarHBondContact O-N 3.45Å; P274-A276 VanDerWaalsContact C-N 3.32Å; P274-A276 PolarHBondContact O-N 3.23Å; A276-K278 PolarHBondContact O-N 3.25Å
277P70.5Confident70.2Confident115 Ų11590.8 Ų90.875%0.74748%0.482SS*.PPolyproline II helixtrans-48.1131.7178.8-28.334.7000111.7
278K77.1Confident71.8Confident149 Ų14992.1 Ų92.165%0.64850%0.495SS*.PPolyproline II helixtrans-87.2160.6176.5-53.9-55.5177.3-165.60109.9P274 A276 S280P274-K278 PolarHBondContact O-NZ 3.18Å; A276-K278 PolarHBondContact O-N 3.25Å; K278-S280 PolarHBondContact O-N 3.14Å
279V74.5Confident73.5Confident128 Ų12892.3 Ų92.378%0.77649%0.494SS*.PPolyproline II helixtrans-58.3129.9174.2-178.50000108.6V284V279-V284 HydrophobicContact CG1-CG2 3.81Å
280S76.4Confident75.3Confident55 Ų5591 Ų9139%0.38549%0.486SS..  trans-108125.8175.4167.50000109.2K278 E282 A283 V284K278-S280 PolarHBondContact O-N 3.14Å; S280-E282 PolarHBondContact O-N 3.3Å; S280-E282 PolarHBondContact OG-N 3.09Å; S280-A283 WeakPolarHBondContact O-CB 3.4Å; S280-A283 PolarHBondContact O-N 2.97Å; S280-A283 PolarHBondContact OG-N 3.39Å; S280-V284 WeakPolarHBondContact O-CG2 3.14Å; S280-V284 PolarHBondContact O-N 3.14Å
281E84.4Confident77Confident143 Ų14387.9 Ų87.967%0.66847%0.47SS*.Hα-helixtrans-58.1-32.3175.3-68.2-60.3155.300112.5V284 R285E281-V284 PolarHBondContact O-N 3.35Å; E281-R285 WeakPolarHBondContact O-CB 3.49Å; E281-R285 PolarHBondContact O-N 2.73Å
282E83.8Confident78.7Confident110 Ų11093 Ų9351%0.51449%0.488SS..Hα-helixtrans-67.7-42.4175.1-173.8-179-176.600111.4S280 V284 R285 R286S280-E282 PolarHBondContact O-N 3.3Å; S280-E282 PolarHBondContact OG-N 3.09Å; E282-V284 VanDerWaalsContact C-N 3.34Å; E282-R285 PolarHBondContact O-N 2.95Å; E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 3.47Å; E282-R286 IonicContact OE1-CZ 3.35Å; E282-R286 IonicContact OE1-NE 3.41Å; E282-R286 PolarHBondContact OE1-NE 3.25Å; E282-R286 IonicContact OE1-NH2 2.64Å; E282-R286 PolarHBondContact OE1-NH2 2.88Å
283A67.9Low80.1Confident57 Ų5794 Ų9447%0.47149%0.487SS..Hα-helixtrans-65.1-39.9176.100000111.4S280 R285 R286 E287S280-A283 WeakPolarHBondContact O-CB 3.4Å; S280-A283 PolarHBondContact O-N 2.97Å; S280-A283 PolarHBondContact OG-N 3.39Å; A283-R285 VanDerWaalsContact C-N 3.34Å; A283-R286 PolarHBondContact O-N 3Å; A283-E287 VanDerWaalsContact O-CB 3.32Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 PolarHBondContact O-N 3.4Å
284V72.1Confident80.7Confident73 Ų7391.4 Ų91.444%0.44247%0.474SS..Hα-helixtrans-60.7-43.9173.8173.80000110.9V279 S280 E281 E282 E287 A288V279-V284 HydrophobicContact CG1-CG2 3.81Å; S280-V284 WeakPolarHBondContact O-CG2 3.14Å; S280-V284 PolarHBondContact O-N 3.14Å; E281-V284 PolarHBondContact O-N 3.35Å; E282-V284 VanDerWaalsContact C-N 3.34Å; V284-E287 PolarHBondContact O-N 2.95Å; V284-A288 PolarHBondContact O-N 2.8Å
285R84.9Confident81.5Confident169 Ų16991 Ų9164%0.63846%0.464SS*.Hα-helixtrans-63.4-47.7177.2-170.7-176.8-58.4177.22.8112.2E281 E282 A283 E287 A288 E289E281-R285 WeakPolarHBondContact O-CB 3.49Å; E281-R285 PolarHBondContact O-N 2.73Å; E282-R285 PolarHBondContact O-N 2.95Å; A283-R285 VanDerWaalsContact C-N 3.34Å; R285-E287 VanDerWaalsContact C-N 3.31Å; R285-E287 PolarHBondContact O-N 3.26Å; R285-A288 WeakPolarHBondContact O-CB 3.32Å; R285-A288 PolarHBondContact O-N 3.05Å; R285-E289 WeakPolarHBondContact O-CG 3.35Å; R285-E289 PolarHBondContact O-N 3.32Å
286R81.6Confident82.3Confident148 Ų14885.7 Ų85.756%0.55844%0.444SS*.Hα-helixtrans-60.4-41.2177.3-70.5178.5-172.3-1702.5111.6E282 A283 A288 E289 V290E282-R286 WeakPolarHBondContact O-CG 3.42Å; E282-R286 PolarHBondContact O-N 3.47Å; E282-R286 IonicContact OE1-CZ 3.35Å; E282-R286 IonicContact OE1-NE 3.41Å; E282-R286 PolarHBondContact OE1-NE 3.25Å; E282-R286 IonicContact OE1-NH2 2.64Å; E282-R286 PolarHBondContact OE1-NH2 2.88Å; A283-R286 PolarHBondContact O-N 3Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.94Å; R286-E289 PolarHBondContact O-N 2.89Å; R286-V290 VanDerWaalsContact O-CG2 3.28Å; R286-V290 WeakPolarHBondContact O-CG2 3.16Å; R286-V290 PolarHBondContact O-N 3.19Å
287E76Confident83.7Confident83 Ų8387.6 Ų87.639%0.38845%0.445SS..Hα-helixtrans-61-42.4176179.967.4-174.900111.7A283 V284 R285 N291 K338A283-E287 VanDerWaalsContact O-CB 3.32Å; A283-E287 WeakPolarHBondContact O-CB 3.41Å; A283-E287 PolarHBondContact O-N 3.4Å; V284-E287 PolarHBondContact O-N 2.95Å; R285-E287 VanDerWaalsContact C-N 3.31Å; R285-E287 PolarHBondContact O-N 3.26Å; E287-N291 WeakPolarHBondContact O-CB 3.45Å; E287-N291 VanDerWaalsContact O-CG 3.29Å; E287-N291 PolarHBondContact O-N 2.84Å; E287-N291 PolarHBondContact O-ND2 2.91Å; E287-K338 IonicContact OE1-NZ 3.22Å; E287-K338 PolarHBondContact OE1-NZ 3.31Å; E287-K338 IonicContact OE2-NZ 3.77Å; E287-K338 PolarHBondContact OE2-NZ 3.42Å
288A83.8Confident84.7Confident56 Ų5682.1 Ų82.146%0.46341%0.41SS..Hα-helixtrans-66.6-39.6175.800000112.7V284 R285 R286 N291 K292V284-A288 PolarHBondContact O-N 2.8Å; R285-A288 WeakPolarHBondContact O-CB 3.32Å; R285-A288 PolarHBondContact O-N 3.05Å; R286-A288 VanDerWaalsContact C-N 3.34Å; R286-A288 PolarHBondContact O-N 2.94Å; A288-N291 PolarHBondContact O-N 3.31Å; A288-K292 WeakPolarHBondContact O-CB 3.23Å; A288-K292 PolarHBondContact O-N 3.4Å
289E91Very high85.4Confident111 Ų11179 Ų7952%0.51940%0.398SS..Hα-helixtrans-62.3-46175.1-73.9170.3-171.600111.6R285 R286 K292 Y293R285-E289 WeakPolarHBondContact O-CG 3.35Å; R285-E289 PolarHBondContact O-N 3.32Å; R286-E289 PolarHBondContact O-N 2.89Å; E289-K292 PolarHBondContact O-N 3.29Å; E289-Y293 WeakPolarHBondContact O-CB 3.23Å; E289-Y293 PolarHBondContact O-N 2.9Å
290V86.8Confident86.2Confident8 Ų877.9 Ų77.95%0.04838%0.384CS..Hα-helixtrans-62-45.5175.7176.50000110.6R286 K292 Y293 L294 P327 L329 K338R286-V290 VanDerWaalsContact O-CG2 3.28Å; R286-V290 WeakPolarHBondContact O-CG2 3.16Å; R286-V290 PolarHBondContact O-N 3.19Å; V290-K292 PolarHBondContact O-N 3.29Å; V290-Y293 PolarHBondContact O-N 2.85Å; V290-L294 HydrophobicContact CG1-CD1 4Å; V290-L294 HydrophobicContact CG1-CG 4.38Å; V290-L294 VanDerWaalsContact O-CG 3.31Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 2.92Å; V290-P327 HydrophobicContact CG2-CB 4.05Å; V290-L329 HydrophobicContact CG1-CD2 4.01Å; V290-K338 VanDerWaalsContact CG1-CE 3.48Å
291N84.3Confident86.8Confident38 Ų3876.1 Ų76.120%0.20337%0.37CS..Hα-helixtrans-59.2-48.1177.8-76.5-16.7000111.6E287 A288 Y293 L294 E295 K338 V341E287-N291 WeakPolarHBondContact O-CB 3.45Å; E287-N291 VanDerWaalsContact O-CG 3.29Å; E287-N291 PolarHBondContact O-N 2.84Å; E287-N291 PolarHBondContact O-ND2 2.91Å; A288-N291 PolarHBondContact O-N 3.31Å; N291-Y293 VanDerWaalsContact C-N 3.32Å; N291-Y293 PolarHBondContact O-N 3.37Å; N291-L294 PolarHBondContact O-N 2.79Å; N291-E295 WeakPolarHBondContact O-CB 3.17Å; N291-E295 VanDerWaalsContact O-CG 3.28Å; N291-E295 WeakPolarHBondContact O-CG 3.31Å; N291-E295 PolarHBondContact O-N 2.96Å; N291-K338 WeakPolarHBondContact OD1-CE 3.37Å; N291-K338 PolarHBondContact OD1-NZ 3.36Å; N291-V341 HydrophobicContact CB-CG1 4.38Å
292K93.9Very high86.9Confident153 Ų15370.4 Ų70.467%0.66534%0.344SS*.Hα-helixtrans-61.9-39.2178.5-173.9177.8180-179.90112.3A288 E289 V290 A296A288-K292 WeakPolarHBondContact O-CB 3.23Å; A288-K292 PolarHBondContact O-N 3.4Å; E289-K292 PolarHBondContact O-N 3.29Å; V290-K292 PolarHBondContact O-N 3.29Å; K292-A296 WeakPolarHBondContact O-CB 3.35Å; K292-A296 PolarHBondContact O-N 2.88Å
293Y94.7Very high86.8Confident58 Ų5869.5 Ų69.523%0.22735%0.35CS..Hα-helixtrans-62.9-48.1175.1-178.3-89000111.4E289 V290 N291 E295 A296 R297 D323 G325 M326 P327E289-Y293 WeakPolarHBondContact O-CB 3.23Å; E289-Y293 PolarHBondContact O-N 2.9Å; V290-Y293 PolarHBondContact O-N 2.85Å; N291-Y293 VanDerWaalsContact C-N 3.32Å; N291-Y293 PolarHBondContact O-N 3.37Å; Y293-E295 PolarHBondContact O-N 3.03Å; Y293-A296 PolarHBondContact O-N 3.2Å; Y293-R297 HydrophobicContact CD1-CG 4.01Å; Y293-R297 HydrophobicContact CE1-CG 3.59Å; Y293-R297 HydrophobicContact CE2-CG 4.31Å; Y293-R297 WeakPolarHBondContact O-CG 3.41Å; Y293-R297 PolarHBondContact O-N 2.75Å; Y293-D323 PolarHBondContact OH-OD1 3.39Å; Y293-D323 PolarHBondContact OH-OD2 3.14Å; Y293-D323 VanDerWaalsContact OH-OD2 3.11Å; Y293-G325 PolarHBondContact OH-O 3.11Å; Y293-M326 HydrophobicContact CD1-SD 3.9Å; Y293-M326 HydrophobicContact CE1-CE 4.43Å; Y293-M326 HydrophobicContact CE1-SD 3.81Å; Y293-P327 VanDerWaalsContact CD1-CD 3.42Å; Y293-P327 HydrophobicContact CD1-CG 4.17Å; Y293-P327 HydrophobicContact CD2-CG 4.1Å; Y293-P327 HydrophobicContact CG-CG 3.83Å
294L91.3Very high86.7Confident0 Ų074 Ų740%036%0.355CS..Hα-helixtrans-60.5-45177.8-69.9171.7000111.6V290 N291 R297 V298 L320 M326 L335 K338 I342V290-L294 HydrophobicContact CG1-CD1 4Å; V290-L294 HydrophobicContact CG1-CG 4.38Å; V290-L294 VanDerWaalsContact O-CG 3.31Å; V290-L294 WeakPolarHBondContact O-CG 3.33Å; V290-L294 PolarHBondContact O-N 2.92Å; N291-L294 PolarHBondContact O-N 2.79Å; L294-R297 PolarHBondContact O-N 2.85Å; L294-V298 VanDerWaalsContact O-CG2 3.24Å; L294-V298 WeakPolarHBondContact O-CG2 3.27Å; L294-V298 PolarHBondContact O-N 2.82Å; L294-L320 HydrophobicContact CD2-CD1 4.32Å; L294-L320 HydrophobicContact CD2-CD2 4.19Å; L294-M326 HydrophobicContact CD2-CE 3.77Å; L294-M326 HydrophobicContact CD2-SD 3.71Å; L294-L335 HydrophobicContact CD2-CD1 3.96Å; L294-K338 HydrophobicContact CD1-CB 3.62Å; L294-K338 HydrophobicContact CD1-CG 4.03Å; L294-I342 HydrophobicContact CB-CG1 4.38Å; L294-I342 HydrophobicContact CD1-CD1 4.38Å; L294-I342 HydrophobicContact CD1-CG1 4.28Å; L294-I342 HydrophobicContact CD2-CD1 4.19Å; L294-I342 HydrophobicContact CD2-CG1 4.34Å
295E93.9Very high86.2Confident70 Ų7075.4 Ų75.433%0.32737%0.365SS..Hα-helixtrans-55-52.6175.2-74.7173.3-177.600111.4N291 Y293 R297 V298 E299 V345N291-E295 WeakPolarHBondContact O-CB 3.17Å; N291-E295 VanDerWaalsContact O-CG 3.28Å; N291-E295 WeakPolarHBondContact O-CG 3.31Å; N291-E295 PolarHBondContact O-N 2.96Å; Y293-E295 PolarHBondContact O-N 3.03Å; E295-R297 VanDerWaalsContact C-N 3.35Å; E295-R297 PolarHBondContact O-N 3.18Å; E295-V298 PolarHBondContact O-N 2.87Å; E295-E299 WeakPolarHBondContact O-CB 3.45Å; E295-E299 WeakPolarHBondContact O-CG 3.36Å; E295-E299 PolarHBondContact O-N 2.95Å; E295-V345 HydrophobicContact CB-CG2 4.27Å; E295-V345 HydrophobicContact CG-CG2 3.56Å
296A94.6Very high84.7Confident52 Ų5279.4 Ų79.443%0.4338%0.38SS..Hα-helixtrans-62.1-39.8-179.500000112.7K292 Y293 E299 E300K292-A296 WeakPolarHBondContact O-CB 3.35Å; K292-A296 PolarHBondContact O-N 2.88Å; Y293-A296 PolarHBondContact O-N 3.2Å; A296-E299 PolarHBondContact O-N 2.77Å; A296-E300 WeakPolarHBondContact O-CB 3.19Å; A296-E300 PolarHBondContact O-N 3.39Å
297R93.8Very high83.6Confident63 Ų6380.2 Ų80.224%0.23840%0.396CS..Hα-helixtrans-71-37.2179.1-67.6-64.5-78.9165.6-8.6112.5Y293 L294 E295 E300 M301 L320 D323Y293-R297 HydrophobicContact CD1-CG 4.01Å; Y293-R297 HydrophobicContact CE1-CG 3.59Å; Y293-R297 HydrophobicContact CE2-CG 4.31Å; Y293-R297 WeakPolarHBondContact O-CG 3.41Å; Y293-R297 PolarHBondContact O-N 2.75Å; L294-R297 PolarHBondContact O-N 2.85Å; E295-R297 VanDerWaalsContact C-N 3.35Å; E295-R297 PolarHBondContact O-N 3.18Å; R297-E300 IonicContact CZ-OE2 3.67Å; R297-E300 IonicContact NH1-OE1 2.8Å; R297-E300 PolarHBondContact NH1-OE1 3.39Å; R297-E300 VanDerWaalsContact NH1-OE1 3.11Å; R297-E300 IonicContact NH1-OE2 3.21Å; R297-E300 PolarHBondContact NH1-OE2 3.42Å; R297-E300 PolarHBondContact O-N 2.79Å; R297-M301 VanDerWaalsContact O-CG 3.24Å; R297-M301 WeakPolarHBondContact O-CG 3.24Å; R297-M301 PolarHBondContact O-N 2.99Å; R297-L320 HydrophobicContact CB-CD2 3.76Å; R297-D323 IonicContact CZ-OD2 3.13Å; R297-D323 IonicContact NE-OD2 3.99Å; R297-D323 PolarHBondContact NE-OD2 3.43Å; R297-D323 IonicContact NH2-OD1 2.72Å; R297-D323 IonicContact NH2-OD2 2.83Å; R297-D323 PolarHBondContact NH2-OD2 3.21Å
298V92.3Very high83Confident0 Ų082.1 Ų82.10%040%0.404CS..Hα-helixtrans-64.5-45.3172.6175.50000110L294 E295 E300 M301 L302 V316 L320 I342 V345L294-V298 VanDerWaalsContact O-CG2 3.24Å; L294-V298 WeakPolarHBondContact O-CG2 3.27Å; L294-V298 PolarHBondContact O-N 2.82Å; E295-V298 PolarHBondContact O-N 2.87Å; V298-E300 VanDerWaalsContact C-N 3.34Å; V298-E300 PolarHBondContact O-N 2.89Å; V298-M301 PolarHBondContact O-N 3.14Å; V298-L302 HydrophobicContact CG1-CD1 3.82Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 2.92Å; V298-V316 HydrophobicContact CG2-CG1 4.03Å; V298-L320 HydrophobicContact CG2-CD1 3.97Å; V298-I342 HydrophobicContact CG2-CG2 3.88Å; V298-V345 HydrophobicContact CB-CB 4.48Å; V298-V345 HydrophobicContact CB-CG1 3.96Å; V298-V345 HydrophobicContact CG1-CB 4.15Å; V298-V345 HydrophobicContact CG1-CG1 3.7Å
299E92.2Very high82.3Confident85 Ų8584 Ų8440%0.39742%0.42SS..Hα-helixtrans-57.4-45.5175.9-79172.6-172.300112.1E295 A296 L302 S303 V345 R348 L349E295-E299 WeakPolarHBondContact O-CB 3.45Å; E295-E299 WeakPolarHBondContact O-CG 3.36Å; E295-E299 PolarHBondContact O-N 2.95Å; A296-E299 PolarHBondContact O-N 2.77Å; E299-L302 PolarHBondContact O-N 2.74Å; E299-S303 VanDerWaalsContact O-CB 3.29Å; E299-S303 WeakPolarHBondContact O-CB 3.37Å; E299-S303 PolarHBondContact O-N 2.76Å; E299-S303 PolarHBondContact O-OG 2.93Å; E299-V345 HydrophobicContact CG-CG1 4.29Å; E299-R348 IonicContact OE1-NH2 2.9Å; E299-R348 PolarHBondContact OE1-NH2 3.43Å; E299-R348 VanDerWaalsContact OE1-NH2 3.08Å; E299-L349 HydrophobicContact CB-CD1 4.33Å; E299-L349 HydrophobicContact CG-CD1 3.51Å
300E90.8Very high81.7Confident103 Ų10383.1 Ų83.148%0.48142%0.415SS..Hα-helixtrans-60.1-48.2176.1-172.3-171154.300111.9A296 R297 V298 L302 S303A296-E300 WeakPolarHBondContact O-CB 3.19Å; A296-E300 PolarHBondContact O-N 3.39Å; R297-E300 IonicContact CZ-OE2 3.67Å; R297-E300 IonicContact NH1-OE1 2.8Å; R297-E300 PolarHBondContact NH1-OE1 3.39Å; R297-E300 VanDerWaalsContact NH1-OE1 3.11Å; R297-E300 IonicContact NH1-OE2 3.21Å; R297-E300 PolarHBondContact NH1-OE2 3.42Å; R297-E300 PolarHBondContact O-N 2.79Å; V298-E300 VanDerWaalsContact C-N 3.34Å; V298-E300 PolarHBondContact O-N 2.89Å; E300-L302 VanDerWaalsContact C-N 3.26Å; E300-L302 PolarHBondContact O-N 3.11Å; E300-S303 PolarHBondContact O-N 3.37Å; E300-S303 PolarHBondContact O-OG 3.07Å
301M89.3Confident81.6Confident19 Ų1983.7 Ų83.79%0.09442%0.419CS..Hα-helixtrans-61.8-34.5-179.7-72.7179.4-163.900112.6R297 V298 V316 N319 L320R297-M301 VanDerWaalsContact O-CG 3.24Å; R297-M301 WeakPolarHBondContact O-CG 3.24Å; R297-M301 PolarHBondContact O-N 2.99Å; V298-M301 PolarHBondContact O-N 3.14Å; M301-V316 HydrophobicContact SD-CG1 4.35Å; M301-N319 HydrophobicContact CE-CB 3.7Å; M301-N319 HydrophobicContact SD-CB 3.79Å; M301-L320 HydrophobicContact CE-CD2 3.83Å; M301-L320 HydrophobicContact CE-CG 4.05Å
302L85.8Confident81.8Confident22 Ų2286.2 Ų86.212%0.11543%0.432CS..Hα-helixtrans-88.2-8.2-179.4-60.8-176.2000113.5V298 E299 E300 F310 P311 V316 Y346 L349V298-L302 HydrophobicContact CG1-CD1 3.82Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.49Å; V298-L302 PolarHBondContact O-N 2.92Å; E299-L302 PolarHBondContact O-N 2.74Å; E300-L302 VanDerWaalsContact C-N 3.26Å; E300-L302 PolarHBondContact O-N 3.11Å; L302-F310 HydrophobicContact CB-CE2 4.43Å; L302-F310 HydrophobicContact CB-CZ 4.04Å; L302-F310 HydrophobicContact CD1-CE1 4.23Å; L302-F310 HydrophobicContact CD1-CZ 3.95Å; L302-F310 HydrophobicContact CD2-CD1 4.14Å; L302-F310 HydrophobicContact CD2-CE1 3.39Å; L302-F310 HydrophobicContact CD2-CE2 4.27Å; L302-F310 HydrophobicContact CD2-CZ 3.49Å; L302-F310 VanDerWaalsContact CD2-CZ 3.49Å; L302-F310 HydrophobicContact CG-CE1 4.3Å; L302-F310 HydrophobicContact CG-CZ 4Å; L302-P311 HydrophobicContact CD2-CG 3.73Å; L302-V316 HydrophobicContact CD2-CG2 4.28Å; L302-Y346 HydrophobicContact CD1-CD2 3.9Å; L302-Y346 HydrophobicContact CD1-CE2 4.44Å; L302-Y346 HydrophobicContact CD2-CD2 4.27Å; L302-Y346 HydrophobicContact CD2-CE2 4.13Å; L302-L349 HydrophobicContact CD1-CB 3.78Å; L302-L349 HydrophobicContact CD1-CD1 3.95Å
303S81.4Confident81.4Confident91 Ų9179.6 Ų79.664%0.63640%0.404SS*.THydrogen-bonded Turntrans-86.74.5-179.872.10000115.1E299 E300E299-S303 VanDerWaalsContact O-CB 3.29Å; E299-S303 WeakPolarHBondContact O-CB 3.37Å; E299-S303 PolarHBondContact O-N 2.76Å; E299-S303 PolarHBondContact O-OG 2.93Å; E300-S303 PolarHBondContact O-N 3.37Å; E300-S303 PolarHBondContact O-OG 3.07Å
304R66.9Low81.1Confident153 Ų15381.8 Ų81.858%0.57742%0.423SS*.SBendtrans-69154.4-175.3-69-173.2177.3-1721.1113.6E308R304-E308 IonicContact NH1-OE2 2.75Å
305P59.9Low81Confident101 Ų10186.3 Ų86.366%0.65645%0.445SS*.  trans-60.2151.7-172.3-20.732.1000114D307 E308P305-D307 PolarHBondContact O-N 3.15Å; P305-E308 PolarHBondContact O-N 3.37Å
306R55.2Low80.8Confident254 Ų25483 Ų8396%0.95843%0.43SS*.THydrogen-bonded Turntrans-57.1-7.2-171.2-67.8-176.3-177.5-158.4-0.4117.1
307D57.8Low80.6Confident165 Ų16582 Ų8288%0.88242%0.416SS*.THydrogen-bonded Turntrans-95.3-7.9-178.4-69.2-29.8000113.5P305P305-D307 PolarHBondContact O-N 3.15Å
308E64.1Low80.4Confident122 Ų12288 Ų8857%0.5744%0.439SS*.SBendtrans-96.7140.3171.8-72.3-173.2175.500111.2R304 P305 F310R304-E308 IonicContact NH1-OE2 2.75Å; P305-E308 PolarHBondContact O-N 3.37Å; E308-F310 PolarHBondContact O-N 2.88Å
309A69Low80.4Confident96 Ų9690.8 Ų90.879%0.79345%0.454SS*.PPolyproline II helixtrans-58.6132175.200000110.4
310F77.6Confident80.4Confident93 Ų9386.9 Ų86.941%0.40844%0.436SS..PPolyproline II helixtrans-60120.2177.6-158.8-83.7000109L302 E308 D312 Y346 N350L302-F310 HydrophobicContact CB-CE2 4.43Å; L302-F310 HydrophobicContact CB-CZ 4.04Å; L302-F310 HydrophobicContact CD1-CE1 4.23Å; L302-F310 HydrophobicContact CD1-CZ 3.95Å; L302-F310 HydrophobicContact CD2-CD1 4.14Å; L302-F310 HydrophobicContact CD2-CE1 3.39Å; L302-F310 HydrophobicContact CD2-CE2 4.27Å; L302-F310 HydrophobicContact CD2-CZ 3.49Å; L302-F310 VanDerWaalsContact CD2-CZ 3.49Å; L302-F310 HydrophobicContact CG-CE1 4.3Å; L302-F310 HydrophobicContact CG-CZ 4Å; E308-F310 PolarHBondContact O-N 2.88Å; F310-D312 PolarHBondContact O-N 3.42Å; F310-Y346 AromaticContact CE1-CE2 3.97Å; F310-Y346 HydrophobicContact CE1-CE2 3.97Å; F310-N350 HydrophobicContact CD1-CB 4.44Å; F310-N350 VanDerWaalsContact CD1-ND2 3.32Å; F310-N350 WeakPolarHBondContact CD1-ND2 3.47Å; F310-N350 HydrophobicContact CE1-CB 3.49Å; F310-N350 VanDerWaalsContact CE1-CB 3.49Å; F310-N350 VanDerWaalsContact CE1-CG 3.41Å; F310-N350 WeakPolarHBondContact CE1-ND2 3.42Å; F310-N350 HydrophobicContact CZ-CB 3.57Å
311P85.1Confident80.3Confident20 Ų2085.5 Ų85.513%0.1344%0.442CS..PPolyproline II helixtrans-67.2134.4-175.127.8-34000109.3L302 M315 V316 Y346L302-P311 HydrophobicContact CD2-CG 3.73Å; P311-M315 HydrophobicContact CB-CB 4.15Å; P311-M315 HydrophobicContact CB-CE 4.43Å; P311-M315 HydrophobicContact CB-CG 4.05Å; P311-M315 HydrophobicContact CB-SD 3.85Å; P311-V316 HydrophobicContact CB-CG2 4.31Å; P311-V316 HydrophobicContact CG-CG2 4.19Å; P311-Y346 VanDerWaalsContact O-CE2 3.31Å; P311-Y346 WeakPolarHBondContact O-CE2 3.41Å; P311-Y346 PolarHBondContact O-OH 3.16Å; P311-Y346 VanDerWaalsContact O-OH 3.13Å
312D88.2Confident80.3Confident90 Ų9088.9 Ų88.948%0.48147%0.468SS..PPolyproline II helixtrans-68.8167.4172.971.420.7000111.5F310 V314 M315 V316F310-D312 PolarHBondContact O-N 3.42Å; D312-V314 PolarHBondContact O-N 3.36Å; D312-V314 WeakPolarHBondContact OD1-CA 3.07Å; D312-V314 WeakPolarHBondContact OD1-CB 3.37Å; D312-V314 PolarHBondContact OD1-N 2.98Å; D312-M315 PolarHBondContact O-N 3.48Å; D312-M315 VanDerWaalsContact O-N 3.16Å; D312-M315 WeakPolarHBondContact OD1-CB 3.42Å; D312-M315 PolarHBondContact OD1-N 2.79Å; D312-V316 WeakPolarHBondContact O-CG2 3.15Å; D312-V316 PolarHBondContact O-N 2.79Å
313L86.5Confident80.6Confident14 Ų1489 Ų897%0.07347%0.469CS..Hα-helixtrans-60.2-28.5-179.8-177.462.3000112.4M317 I342 E343 Y346L313-M317 HydrophobicContact CD1-CG 4.37Å; L313-M317 HydrophobicContact CG-CG 4.42Å; L313-M317 WeakPolarHBondContact O-CB 3.5Å; L313-M317 WeakPolarHBondContact O-CG 3.5Å; L313-M317 PolarHBondContact O-N 3.23Å; L313-I342 HydrophobicContact CD1-CG2 4.14Å; L313-E343 HydrophobicContact CD2-CB 4.11Å; L313-E343 HydrophobicContact CD2-CG 3.84Å; L313-Y346 HydrophobicContact CB-CD1 4.42Å; L313-Y346 HydrophobicContact CB-CE1 4.33Å; L313-Y346 HydrophobicContact CB-CE2 4.46Å; L313-Y346 HydrophobicContact CD1-CD1 4.39Å; L313-Y346 HydrophobicContact CD1-CD2 4.19Å; L313-Y346 HydrophobicContact CD1-CG 3.94Å
314V87.6Confident80.9Confident104 Ų10490.9 Ų90.963%0.6348%0.481SS*.Hα-helixtrans-68.6-43.7179178.60000110D312 M317 R318D312-V314 PolarHBondContact O-N 3.36Å; D312-V314 WeakPolarHBondContact OD1-CA 3.07Å; D312-V314 WeakPolarHBondContact OD1-CB 3.37Å; D312-V314 PolarHBondContact OD1-N 2.98Å; V314-M317 PolarHBondContact O-N 3.46Å; V314-R318 WeakPolarHBondContact O-CB 3.45Å; V314-R318 PolarHBondContact O-N 3.46Å
315M88.5Confident81.9Confident96 Ų9685.7 Ų85.747%0.47348%0.476SS..Hα-helixtrans-65.7-41.6175.9-173.4169.4168.600111.4P311 D312 R318 N319P311-M315 HydrophobicContact CB-CB 4.15Å; P311-M315 HydrophobicContact CB-CE 4.43Å; P311-M315 HydrophobicContact CB-CG 4.05Å; P311-M315 HydrophobicContact CB-SD 3.85Å; D312-M315 PolarHBondContact O-N 3.48Å; D312-M315 VanDerWaalsContact O-N 3.16Å; D312-M315 WeakPolarHBondContact OD1-CB 3.42Å; D312-M315 PolarHBondContact OD1-N 2.79Å; M315-R318 PolarHBondContact O-N 2.91Å; M315-N319 WeakPolarHBondContact O-CB 3.31Å; M315-N319 PolarHBondContact O-N 3.04Å; M315-N319 PolarHBondContact O-ND2 3.38Å
316V91.2Very high83.4Confident0 Ų082.6 Ų82.60%045%0.453CS..Hα-helixtrans-58.6-49.6173.3172.70000110.9V298 M301 L302 P311 D312 R318 N319 L320 I342 Y346V298-V316 HydrophobicContact CG2-CG1 4.03Å; M301-V316 HydrophobicContact SD-CG1 4.35Å; L302-V316 HydrophobicContact CD2-CG2 4.28Å; P311-V316 HydrophobicContact CB-CG2 4.31Å; P311-V316 HydrophobicContact CG-CG2 4.19Å; D312-V316 WeakPolarHBondContact O-CG2 3.15Å; D312-V316 PolarHBondContact O-N 2.79Å; V316-R318 VanDerWaalsContact C-N 3.33Å; V316-R318 PolarHBondContact O-N 3.3Å; V316-N319 PolarHBondContact O-N 3.1Å; V316-L320 HydrophobicContact CG1-CD1 4Å; V316-L320 WeakPolarHBondContact O-CG 3.23Å; V316-L320 PolarHBondContact O-N 3.32Å; V316-I342 HydrophobicContact CG1-CG2 4.1Å; V316-Y346 HydrophobicContact CG2-CD2 3.96Å; V316-Y346 HydrophobicContact CG2-CE2 3.98Å
317M89.1Confident85Confident30 Ų3072.2 Ų72.215%0.14842%0.419CS..Hα-helixtrans-61.3-39.9177.7-71.3-68.4-6600112.2L313 V314 A321 L335 R339 I342L313-M317 HydrophobicContact CD1-CG 4.37Å; L313-M317 HydrophobicContact CG-CG 4.42Å; L313-M317 WeakPolarHBondContact O-CB 3.5Å; L313-M317 WeakPolarHBondContact O-CG 3.5Å; L313-M317 PolarHBondContact O-N 3.23Å; V314-M317 PolarHBondContact O-N 3.46Å; M317-A321 WeakPolarHBondContact O-CB 3.43Å; M317-A321 PolarHBondContact O-N 2.99Å; M317-L335 HydrophobicContact CE-CD2 4.13Å; M317-L335 HydrophobicContact CE-CG 3.98Å; M317-L335 WeakPolarHBondContact O-CD2 3.3Å; M317-R339 HydrophobicContact CE-CB 4.05Å; M317-R339 HydrophobicContact CE-CG 4.23Å; M317-R339 HydrophobicContact SD-CG 4.36Å; M317-I342 HydrophobicContact CE-CD1 4.26Å; M317-I342 HydrophobicContact SD-CB 4.18Å; M317-I342 HydrophobicContact SD-CD1 3.55Å; M317-I342 VanDerWaalsContact SD-CD1 3.55Å; M317-I342 HydrophobicContact SD-CG1 4.46Å; M317-I342 HydrophobicContact SD-CG2 3.81Å
318R90.4Very high86.3Confident189 Ų18970.2 Ų70.271%0.71342%0.415SS*.Hα-helixtrans-65.2-41.1177.2-175.5178.9178.9175.6-0.2112V314 M315 V316 A321 S322V314-R318 WeakPolarHBondContact O-CB 3.45Å; V314-R318 PolarHBondContact O-N 3.46Å; M315-R318 PolarHBondContact O-N 2.91Å; V316-R318 VanDerWaalsContact C-N 3.33Å; V316-R318 PolarHBondContact O-N 3.3Å; R318-A321 PolarHBondContact O-N 3.26Å; R318-S322 PolarHBondContact O-N 2.9Å; R318-S322 PolarHBondContact O-OG 3.25Å
319N91.1Very high87Confident60 Ų6067 Ų6732%0.32140%0.401SS..Hα-helixtrans-67.3-44.6178.2-70.7-16.1000111.2M301 M315 V316 A321 S322 D323M301-N319 HydrophobicContact CE-CB 3.7Å; M301-N319 HydrophobicContact SD-CB 3.79Å; M315-N319 WeakPolarHBondContact O-CB 3.31Å; M315-N319 PolarHBondContact O-N 3.04Å; M315-N319 PolarHBondContact O-ND2 3.38Å; V316-N319 PolarHBondContact O-N 3.1Å; N319-A321 VanDerWaalsContact C-N 3.3Å; N319-A321 PolarHBondContact O-N 3.18Å; N319-S322 PolarHBondContact O-N 3.48Å; N319-D323 PolarHBondContact O-N 3.47Å
320L92.1Very high87.1Confident2 Ų264.1 Ų64.11%0.0137%0.374CS..Hα-helixtrans-60.8-39.1174.1-71.4171.5000112L294 R297 V298 M301 V316 S322 D323 M326 L335 I342L294-L320 HydrophobicContact CD2-CD1 4.32Å; L294-L320 HydrophobicContact CD2-CD2 4.19Å; R297-L320 HydrophobicContact CB-CD2 3.76Å; V298-L320 HydrophobicContact CG2-CD1 3.97Å; M301-L320 HydrophobicContact CE-CD2 3.83Å; M301-L320 HydrophobicContact CE-CG 4.05Å; V316-L320 HydrophobicContact CG1-CD1 4Å; V316-L320 WeakPolarHBondContact O-CG 3.23Å; V316-L320 PolarHBondContact O-N 3.32Å; L320-S322 PolarHBondContact O-N 2.76Å; L320-D323 WeakPolarHBondContact O-CB 3.35Å; L320-D323 PolarHBondContact O-N 3Å; L320-M326 HydrophobicContact CB-CE 4Å; L320-M326 HydrophobicContact CD2-CE 4.16Å; L320-M326 WeakPolarHBondContact O-CE 3.46Å; L320-L335 HydrophobicContact CB-CD1 4.35Å; L320-L335 HydrophobicContact CB-CD2 3.86Å; L320-I342 HydrophobicContact CD1-CD1 3.71Å; L320-I342 HydrophobicContact CD1-CG1 3.92Å; L320-I342 HydrophobicContact CD1-CG2 3.83Å
321A88.7Confident86.6Confident75 Ų7566 Ų6662%0.6240%0.396SS*.Hα-helixtrans-65.2-20.717600000113.4M317 R318 N319 L335M317-A321 WeakPolarHBondContact O-CB 3.43Å; M317-A321 PolarHBondContact O-N 2.99Å; R318-A321 PolarHBondContact O-N 3.26Å; N319-A321 VanDerWaalsContact C-N 3.3Å; N319-A321 PolarHBondContact O-N 3.18Å; A321-L335 HydrophobicContact CB-CD2 3.85Å
322S90.4Very high85.8Confident90 Ų9069.5 Ų69.563%0.62944%0.435SS*.THydrogen-bonded Turntrans-98.61.1-179.6-46.50000112.6R318 N319 L320 S324R318-S322 PolarHBondContact O-N 2.9Å; R318-S322 PolarHBondContact O-OG 3.25Å; N319-S322 PolarHBondContact O-N 3.48Å; L320-S322 PolarHBondContact O-N 2.76Å; S322-S324 PolarHBondContact O-N 3.36Å
323D91.6Very high84.4Confident25 Ų2566.8 Ų66.813%0.13443%0.429CS..  trans-77.1112.4-173.8-164.3-22.1000111.7Y293 R297 N319 L320 G325 M326Y293-D323 PolarHBondContact OH-OD1 3.39Å; Y293-D323 PolarHBondContact OH-OD2 3.14Å; Y293-D323 VanDerWaalsContact OH-OD2 3.11Å; R297-D323 IonicContact CZ-OD2 3.13Å; R297-D323 IonicContact NE-OD2 3.99Å; R297-D323 PolarHBondContact NE-OD2 3.43Å; R297-D323 IonicContact NH2-OD1 2.72Å; R297-D323 IonicContact NH2-OD2 2.83Å; R297-D323 PolarHBondContact NH2-OD2 3.21Å; N319-D323 PolarHBondContact O-N 3.47Å; L320-D323 WeakPolarHBondContact O-CB 3.35Å; L320-D323 PolarHBondContact O-N 3Å; D323-G325 PolarHBondContact O-N 2.94Å; D323-G325 PolarHBondContact OD1-N 2.89Å; D323-M326 HydrophobicContact CB-CB 4.46Å; D323-M326 HydrophobicContact CB-CE 4.27Å; D323-M326 WeakPolarHBondContact O-CB 3.4Å; D323-M326 PolarHBondContact O-N 3.44Å
324S86.9Confident84.1Confident129 Ų12967.3 Ų67.390%0.90244%0.437SS*.THydrogen-bonded Turntrans-67.9-18177.855.80000113.8S322S322-S324 PolarHBondContact O-N 3.36Å
325G89.6Confident83.8Confident44 Ų4463.4 Ų63.445%0.45441%0.413SS..THydrogen-bonded Turntrans-90.91.5178.600000114.5Y293 D323Y293-G325 PolarHBondContact OH-O 3.11Å; D323-G325 PolarHBondContact O-N 2.94Å; D323-G325 PolarHBondContact OD1-N 2.89Å
326M90Very high83Confident36 Ų3662.5 Ų62.518%0.17742%0.42CS..PPolyproline II helixtrans-61.5126-175.4-171.77072.600111.5Y293 L294 L320 D323 L329 L335Y293-M326 HydrophobicContact CD1-SD 3.9Å; Y293-M326 HydrophobicContact CE1-CE 4.43Å; Y293-M326 HydrophobicContact CE1-SD 3.81Å; L294-M326 HydrophobicContact CD2-CE 3.77Å; L294-M326 HydrophobicContact CD2-SD 3.71Å; L320-M326 HydrophobicContact CB-CE 4Å; L320-M326 HydrophobicContact CD2-CE 4.16Å; L320-M326 WeakPolarHBondContact O-CE 3.46Å; D323-M326 HydrophobicContact CB-CB 4.46Å; D323-M326 HydrophobicContact CB-CE 4.27Å; D323-M326 WeakPolarHBondContact O-CB 3.4Å; D323-M326 PolarHBondContact O-N 3.44Å; M326-L329 HydrophobicContact CG-CD1 4.13Å; M326-L329 HydrophobicContact CG-CD2 4.14Å; M326-L329 HydrophobicContact CG-CG 4.03Å; M326-L329 HydrophobicContact SD-CD2 4.12Å; M326-L335 HydrophobicContact CE-CD1 4.15Å
327P89.6Confident82.1Confident37 Ų3765.3 Ų65.324%0.2444%0.44CS..PPolyproline II helixtrans-61.9161.9171-19.531000111.8V290 Y293 L329V290-P327 HydrophobicContact CG2-CB 4.05Å; Y293-P327 VanDerWaalsContact CD1-CD 3.42Å; Y293-P327 HydrophobicContact CD1-CG 4.17Å; Y293-P327 HydrophobicContact CD2-CG 4.1Å; Y293-P327 HydrophobicContact CG-CG 3.83Å; P327-L329 PolarHBondContact O-N 2.77Å; P327-L329 VanDerWaalsContact O-N 3.09Å
328P84.9Confident81.7Confident123 Ų12364.1 Ų64.180%0.79943%0.434SS*.PPolyproline II helixtrans-54.1119.4179-2634.8000112.3
329L78.6Confident81.3Confident54 Ų5461 Ų6128%0.28342%0.422SS..PPolyproline II helixtrans-79.7161.3178.8-67.1171.6000111.3V290 M326 P327 L335 K338V290-L329 HydrophobicContact CG1-CD2 4.01Å; M326-L329 HydrophobicContact CG-CD1 4.13Å; M326-L329 HydrophobicContact CG-CD2 4.14Å; M326-L329 HydrophobicContact CG-CG 4.03Å; M326-L329 HydrophobicContact SD-CD2 4.12Å; P327-L329 PolarHBondContact O-N 2.77Å; P327-L329 VanDerWaalsContact O-N 3.09Å; L329-L335 HydrophobicContact CD1-CB 3.99Å; L329-L335 HydrophobicContact CD1-CD1 4.38Å; L329-L335 HydrophobicContact CD2-CD1 4.44Å; L329-K338 HydrophobicContact CD2-CG 4.49Å
330P70.6Confident80.4Confident35 Ų3562.1 Ų62.123%0.22744%0.435CS..PPolyproline II helixtrans-53.2129.6175.6-27.436000111.6G332 G334 K338P330-G332 PolarHBondContact O-N 3.2Å; P330-G334 PolarHBondContact O-N 3.26Å; P330-K338 HydrophobicContact CG-CD 4.11Å; P330-K338 HydrophobicContact CG-CG 4.42Å
331P68.9Low79.8Confident133 Ų13363.6 Ų63.686%0.86444%0.444SS*.THydrogen-bonded Turntrans-60.9140.1-17925.4-33.8000110.8G333P331-G333 PolarHBondContact O-N 3.11Å
332G66.8Low79.8Confident93 Ų9360.1 Ų60.196%0.95942%0.415SS*.THydrogen-bonded Turntrans76.8-55.6-175.700000113.9P330P330-G332 PolarHBondContact O-N 3.2Å
333G59.8Low79.5Confident34 Ų3459 Ų5935%0.35140%0.4SS..THydrogen-bonded Turntrans-71.7-31.1-177.200000114.7P331 A336 S337P331-G333 PolarHBondContact O-N 3.11Å; G333-A336 PolarHBondContact O-N 3.17Å; G333-S337 PolarHBondContact O-N 3.38Å
334G79.9Confident79.1Confident24 Ų2460.6 Ų60.625%0.24742%0.417CS..THydrogen-bonded Turntrans55.1-140.7177.900000113P330 A336 S337P330-G334 PolarHBondContact O-N 3.26Å; G334-A336 VanDerWaalsContact C-N 3.3Å; G334-A336 PolarHBondContact O-N 3Å; G334-S337 PolarHBondContact O-OG 2.55Å
335L80.2Confident79.3Confident23 Ų2354.6 Ų54.612%0.1238%0.375CS..THydrogen-bonded Turntrans-72.1-28.1180-170.365.9000111.9L294 M317 L320 A321 M326 L329 S337 K338 R339 I342L294-L335 HydrophobicContact CD2-CD1 3.96Å; M317-L335 HydrophobicContact CE-CD2 4.13Å; M317-L335 HydrophobicContact CE-CG 3.98Å; M317-L335 WeakPolarHBondContact O-CD2 3.3Å; L320-L335 HydrophobicContact CB-CD1 4.35Å; L320-L335 HydrophobicContact CB-CD2 3.86Å; A321-L335 HydrophobicContact CB-CD2 3.85Å; M326-L335 HydrophobicContact CE-CD1 4.15Å; L329-L335 HydrophobicContact CD1-CB 3.99Å; L329-L335 HydrophobicContact CD1-CD1 4.38Å; L329-L335 HydrophobicContact CD2-CD1 4.44Å; L335-S337 VanDerWaalsContact C-N 3.29Å; L335-S337 PolarHBondContact O-N 3.43Å; L335-K338 PolarHBondContact O-N 3.26Å; L335-R339 PolarHBondContact O-N 2.97Å; L335-I342 HydrophobicContact CD1-CD1 3.71Å; L335-I342 HydrophobicContact CG-CD1 4.19Å
336A73.3Confident79.3Confident76 Ų7652.8 Ų52.863%0.62835%0.354SS*.G310 helixtrans-62.3-36.8-178.200000112G333 G334 K338 R339G333-A336 PolarHBondContact O-N 3.17Å; G334-A336 VanDerWaalsContact C-N 3.3Å; G334-A336 PolarHBondContact O-N 3Å; A336-K338 PolarHBondContact O-N 2.82Å; A336-R339 WeakPolarHBondContact O-CB 3.19Å; A336-R339 PolarHBondContact O-N 3.15Å
337S71.1Confident79.1Confident60 Ų6054.5 Ų54.542%0.4236%0.364SS..G310 helixtrans-67.9-13.9175.663.20000113.7G333 G334 L335G333-S337 PolarHBondContact O-N 3.38Å; G334-S337 PolarHBondContact O-OG 2.55Å; L335-S337 VanDerWaalsContact C-N 3.29Å; L335-S337 PolarHBondContact O-N 3.43Å
338K80.5Confident79.1Confident4 Ų459.6 Ų59.62%0.01738%0.378CS..G310 helixtrans-104.22.7179.1-53.9-68.1-96.9-172.30112.9E287 V290 N291 L294 L329 P330 L335 A336 S340 V341 I342E287-K338 IonicContact OE1-NZ 3.22Å; E287-K338 PolarHBondContact OE1-NZ 3.31Å; E287-K338 IonicContact OE2-NZ 3.77Å; E287-K338 PolarHBondContact OE2-NZ 3.42Å; V290-K338 VanDerWaalsContact CG1-CE 3.48Å; N291-K338 WeakPolarHBondContact OD1-CE 3.37Å; N291-K338 PolarHBondContact OD1-NZ 3.36Å; L294-K338 HydrophobicContact CD1-CB 3.62Å; L294-K338 HydrophobicContact CD1-CG 4.03Å; L329-K338 HydrophobicContact CD2-CG 4.49Å; P330-K338 HydrophobicContact CG-CD 4.11Å; P330-K338 HydrophobicContact CG-CG 4.42Å; L335-K338 PolarHBondContact O-N 3.26Å; A336-K338 PolarHBondContact O-N 2.82Å; K338-S340 VanDerWaalsContact C-N 3.25Å; K338-S340 PolarHBondContact O-N 3.43Å; K338-V341 PolarHBondContact O-N 2.86Å; K338-V341 VanDerWaalsContact O-N 3.11Å; K338-I342 HydrophobicContact CB-CD1 4.39Å; K338-I342 WeakPolarHBondContact O-CG1 3.49Å; K338-I342 PolarHBondContact O-N 2.9Å; K338-I342 VanDerWaalsContact O-N 3.13Å
339R81.9Confident79.2Confident123 Ų12357 Ų5746%0.46436%0.358SS..Hα-helixtrans-54.5-39.5179.8-179175.8177.1142.82.3112.6M317 L335 A336 V341 I342 E343M317-R339 HydrophobicContact CE-CB 4.05Å; M317-R339 HydrophobicContact CE-CG 4.23Å; M317-R339 HydrophobicContact SD-CG 4.36Å; L335-R339 PolarHBondContact O-N 2.97Å; A336-R339 WeakPolarHBondContact O-CB 3.19Å; A336-R339 PolarHBondContact O-N 3.15Å; R339-V341 VanDerWaalsContact C-N 3.35Å; R339-V341 PolarHBondContact O-N 3.08Å; R339-I342 PolarHBondContact O-N 3.14Å; R339-E343 IonicContact NE-OE2 3.78Å; R339-E343 WeakPolarHBondContact O-CB 3.5Å; R339-E343 PolarHBondContact O-N 3.34Å
340S73Confident79.4Confident85 Ų8555.9 Ų55.959%0.59435%0.352SS*.Hα-helixtrans-62.3-39.7179.351.90000112.9K338 A344K338-S340 VanDerWaalsContact C-N 3.25Å; K338-S340 PolarHBondContact O-N 3.43Å; S340-A344 VanDerWaalsContact O-CB 3.3Å; S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 3.31Å
341V80.2Confident79.1Confident33 Ų3358.5 Ų58.520%0.237%0.369CS..Hα-helixtrans-65.5-48.4175.8179.70000109.8N291 K338 R339 E343 A344 V345N291-V341 HydrophobicContact CB-CG1 4.38Å; K338-V341 PolarHBondContact O-N 2.86Å; K338-V341 VanDerWaalsContact O-N 3.11Å; R339-V341 VanDerWaalsContact C-N 3.35Å; R339-V341 PolarHBondContact O-N 3.08Å; V341-E343 PolarHBondContact O-N 2.9Å; V341-A344 PolarHBondContact O-N 3.06Å; V341-V345 WeakPolarHBondContact O-CG2 3.4Å; V341-V345 PolarHBondContact O-N 3.35Å
342I88.1Confident78.8Confident1 Ų161.8 Ų61.81%0.00537%0.365CS..Hα-helixtrans-60.6-47.3179.4-64.3160.9000110.9L294 V298 L313 V316 M317 L320 L335 K338 R339 V345 Y346L294-I342 HydrophobicContact CB-CG1 4.38Å; L294-I342 HydrophobicContact CD1-CD1 4.38Å; L294-I342 HydrophobicContact CD1-CG1 4.28Å; L294-I342 HydrophobicContact CD2-CD1 4.19Å; L294-I342 HydrophobicContact CD2-CG1 4.34Å; V298-I342 HydrophobicContact CG2-CG2 3.88Å; L313-I342 HydrophobicContact CD1-CG2 4.14Å; V316-I342 HydrophobicContact CG1-CG2 4.1Å; M317-I342 HydrophobicContact CE-CD1 4.26Å; M317-I342 HydrophobicContact SD-CB 4.18Å; M317-I342 HydrophobicContact SD-CD1 3.55Å; M317-I342 VanDerWaalsContact SD-CD1 3.55Å; M317-I342 HydrophobicContact SD-CG1 4.46Å; M317-I342 HydrophobicContact SD-CG2 3.81Å; L320-I342 HydrophobicContact CD1-CD1 3.71Å; L320-I342 HydrophobicContact CD1-CG1 3.92Å; L320-I342 HydrophobicContact CD1-CG2 3.83Å; L335-I342 HydrophobicContact CD1-CD1 3.71Å; L335-I342 HydrophobicContact CG-CD1 4.19Å; K338-I342 HydrophobicContact CB-CD1 4.39Å; K338-I342 WeakPolarHBondContact O-CG1 3.49Å; K338-I342 PolarHBondContact O-N 2.9Å; K338-I342 VanDerWaalsContact O-N 3.13Å; R339-I342 PolarHBondContact O-N 3.14Å; I342-V345 PolarHBondContact O-N 3.42Å; I342-Y346 WeakPolarHBondContact O-CB 3.2Å; I342-Y346 PolarHBondContact O-N 3.16Å
343E84.2Confident78.3Confident66 Ų6664 Ų6431%0.30835%0.349SS..Hα-helixtrans-66.3-36.9-179.1-177.2163.8-165.200112.1L313 R339 V341 V345 Y346 N347L313-E343 HydrophobicContact CD2-CB 4.11Å; L313-E343 HydrophobicContact CD2-CG 3.84Å; R339-E343 IonicContact NE-OE2 3.78Å; R339-E343 WeakPolarHBondContact O-CB 3.5Å; R339-E343 PolarHBondContact O-N 3.34Å; V341-E343 PolarHBondContact O-N 2.9Å; E343-V345 PolarHBondContact O-N 3.01Å; E343-Y346 PolarHBondContact O-N 2.64Å; E343-N347 VanDerWaalsContact O-CB 3.31Å; E343-N347 WeakPolarHBondContact O-CB 3.34Å; E343-N347 PolarHBondContact O-N 3.39Å; E343-N347 PolarHBondContact O-ND2 3.34Å
344A83.6Confident77.6Confident60 Ų6070 Ų7050%0.49637%0.368SS..Hα-helixtrans-61.4-43.1174.800000112.1S340 V341 R348S340-A344 VanDerWaalsContact O-CB 3.3Å; S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 3.31Å; V341-A344 PolarHBondContact O-N 3.06Å; A344-R348 WeakPolarHBondContact O-CB 3.28Å; A344-R348 PolarHBondContact O-N 2.94Å; A344-R348 VanDerWaalsContact O-N 3.11Å
345V90.7Very high75.6Confident3 Ų378.3 Ų78.32%0.01840%0.4CS..Hα-helixtrans-68.8-46.3176.8-179.30000110.8E295 V298 E299 V341 I342 E343 N347 R348 L349E295-V345 HydrophobicContact CB-CG2 4.27Å; E295-V345 HydrophobicContact CG-CG2 3.56Å; V298-V345 HydrophobicContact CB-CB 4.48Å; V298-V345 HydrophobicContact CB-CG1 3.96Å; V298-V345 HydrophobicContact CG1-CB 4.15Å; V298-V345 HydrophobicContact CG1-CG1 3.7Å; E299-V345 HydrophobicContact CG-CG1 4.29Å; V341-V345 WeakPolarHBondContact O-CG2 3.4Å; V341-V345 PolarHBondContact O-N 3.35Å; I342-V345 PolarHBondContact O-N 3.42Å; E343-V345 PolarHBondContact O-N 3.01Å; V345-N347 VanDerWaalsContact C-N 3.34Å; V345-N347 PolarHBondContact O-N 3.33Å; V345-R348 WeakPolarHBondContact O-CB 3.35Å; V345-R348 PolarHBondContact O-N 3.15Å; V345-L349 HydrophobicContact CG1-CD1 3.7Å; V345-L349 HydrophobicContact CG1-CG 4.48Å; V345-L349 WeakPolarHBondContact O-CG 3.26Å; V345-L349 PolarHBondContact O-N 3.48Å
346Y89.4Confident73.6Confident6 Ų684 Ų842%0.02443%0.431CS..Hα-helixtrans-55.5-48.8177.4179.6-85.7000111.5L302 F310 P311 L313 V316 I342 E343 R348 L349 N350L302-Y346 HydrophobicContact CD1-CD2 3.9Å; L302-Y346 HydrophobicContact CD1-CE2 4.44Å; L302-Y346 HydrophobicContact CD2-CD2 4.27Å; L302-Y346 HydrophobicContact CD2-CE2 4.13Å; F310-Y346 AromaticContact CE1-CE2 3.97Å; F310-Y346 HydrophobicContact CE1-CE2 3.97Å; P311-Y346 VanDerWaalsContact O-CE2 3.31Å; P311-Y346 WeakPolarHBondContact O-CE2 3.41Å; P311-Y346 PolarHBondContact O-OH 3.16Å; P311-Y346 VanDerWaalsContact O-OH 3.13Å; L313-Y346 HydrophobicContact CB-CD1 4.42Å; L313-Y346 HydrophobicContact CB-CE1 4.33Å; L313-Y346 HydrophobicContact CB-CE2 4.46Å; L313-Y346 HydrophobicContact CD1-CD1 4.39Å; L313-Y346 HydrophobicContact CD1-CD2 4.19Å; L313-Y346 HydrophobicContact CD1-CG 3.94Å; V316-Y346 HydrophobicContact CG2-CD2 3.96Å; V316-Y346 HydrophobicContact CG2-CE2 3.98Å; I342-Y346 WeakPolarHBondContact O-CB 3.2Å; I342-Y346 PolarHBondContact O-N 3.16Å; E343-Y346 PolarHBondContact O-N 2.64Å; Y346-R348 VanDerWaalsContact C-N 3.35Å; Y346-R348 PolarHBondContact O-N 3.33Å; Y346-L349 PolarHBondContact O-N 3.4Å; Y346-N350 HydrophobicContact CE1-CB 4.21Å; Y346-N350 WeakPolarHBondContact O-CB 3.41Å; Y346-N350 PolarHBondContact O-N 2.84Å; Y346-N350 PolarHBondContact OH-ND2 3.13Å
347N87.1Confident71.9Confident71 Ų7183 Ų8338%0.3843%0.428SS..Hα-helixtrans-66.8-34.9179.9-69.7-22.1000112.3E343 V345 L349 N350E343-N347 VanDerWaalsContact O-CB 3.31Å; E343-N347 WeakPolarHBondContact O-CB 3.34Å; E343-N347 PolarHBondContact O-N 3.39Å; E343-N347 PolarHBondContact O-ND2 3.34Å; V345-N347 VanDerWaalsContact C-N 3.34Å; V345-N347 PolarHBondContact O-N 3.33Å; N347-L349 VanDerWaalsContact C-N 3.29Å; N347-L349 PolarHBondContact O-N 3.02Å; N347-N350 CarbonylContact O-C 3.41Å
348R89.4Confident70.2Confident144 Ų14486.4 Ų86.454%0.54345%0.448SS..Hα-helixtrans-62.6-37.1174.7-179.4177.569.1-142.67.7112E299 A344 V345 Y346E299-R348 IonicContact OE1-NH2 2.9Å; E299-R348 PolarHBondContact OE1-NH2 3.43Å; E299-R348 VanDerWaalsContact OE1-NH2 3.08Å; A344-R348 WeakPolarHBondContact O-CB 3.28Å; A344-R348 PolarHBondContact O-N 2.94Å; A344-R348 VanDerWaalsContact O-N 3.11Å; V345-R348 WeakPolarHBondContact O-CB 3.35Å; V345-R348 PolarHBondContact O-N 3.15Å; Y346-R348 VanDerWaalsContact C-N 3.35Å; Y346-R348 PolarHBondContact O-N 3.33Å
349L86.3Confident68Low69 Ų6991 Ų9136%0.36148%0.481SS..Hα-helixtrans-91.8-17.9-176.6-62.3169.8000113.2E299 L302 V345 Y346 N347 P351E299-L349 HydrophobicContact CB-CD1 4.33Å; E299-L349 HydrophobicContact CG-CD1 3.51Å; L302-L349 HydrophobicContact CD1-CB 3.78Å; L302-L349 HydrophobicContact CD1-CD1 3.95Å; V345-L349 HydrophobicContact CG1-CD1 3.7Å; V345-L349 HydrophobicContact CG1-CG 4.48Å; V345-L349 WeakPolarHBondContact O-CG 3.26Å; V345-L349 PolarHBondContact O-N 3.48Å; Y346-L349 PolarHBondContact O-N 3.4Å; N347-L349 VanDerWaalsContact C-N 3.29Å; N347-L349 PolarHBondContact O-N 3.02Å; L349-P351 VanDerWaalsContact C-CD 3.44Å; L349-P351 WeakPolarHBondContact O-CD 3.22Å
350N81.5Confident65.7Low30 Ų3091 Ų9116%0.1650%0.498CS..  trans-123.269.3175.6-167.86.7000112F310 Y346 N347 Y352F310-N350 HydrophobicContact CD1-CB 4.44Å; F310-N350 VanDerWaalsContact CD1-ND2 3.32Å; F310-N350 WeakPolarHBondContact CD1-ND2 3.47Å; F310-N350 HydrophobicContact CE1-CB 3.49Å; F310-N350 VanDerWaalsContact CE1-CB 3.49Å; F310-N350 VanDerWaalsContact CE1-CG 3.41Å; F310-N350 WeakPolarHBondContact CE1-ND2 3.42Å; F310-N350 HydrophobicContact CZ-CB 3.57Å; Y346-N350 HydrophobicContact CE1-CB 4.21Å; Y346-N350 WeakPolarHBondContact O-CB 3.41Å; Y346-N350 PolarHBondContact O-N 2.84Å; Y346-N350 PolarHBondContact OH-ND2 3.13Å; N347-N350 CarbonylContact O-C 3.41Å; N350-Y352 PolarHBondContact O-N 2.98Å
351P64.9Low64Low90 Ų9096 Ų9658%0.58451%0.51SS*.  trans-74.5-11.9-176.430.5-35.4000113.8L349L349-P351 VanDerWaalsContact C-CD 3.44Å; L349-P351 WeakPolarHBondContact O-CD 3.22Å
352Y62.5Low61.7Low202 Ų202105.7 Ų105.779%0.79256%0.558SS**  trans-99.838.8-174.3-56.8-71.1000113.5N350 E354N350-Y352 PolarHBondContact O-N 2.98Å; Y352-E354 VanDerWaalsContact C-N 3.26Å; Y352-E354 PolarHBondContact O-N 3.31Å
353K56.9Low60.4Low140 Ų140111 Ų11161%0.60959%0.586SS**  trans-60.298164.7-109-174.7174.8179.20108.1
354E44.7Very low59.1Low160 Ų160113.3 Ų113.375%0.74860%0.6SS**  trans-51145.1156.5-75.8-171.2154.900107.4Y352 D356Y352-E354 VanDerWaalsContact C-N 3.26Å; Y352-E354 PolarHBondContact O-N 3.31Å; E354-D356 PolarHBondContact O-N 3.35Å
355E39.2Very low57.7Low198 Ų198116.3 Ų116.393%0.92561%0.606SS**  trans-64.169.5170-64.7-169.7147.300109.6G357E355-G357 PolarHBondContact O-N 3.02Å; E355-G357 VanDerWaalsContact O-N 3.11Å
356D37.7Very low55.8Low144 Ų144122.9 Ų122.977%0.7764%0.641SS**  trans-69.6113.3168.7-86.1-32.2000107.6E354E354-D356 PolarHBondContact O-N 3.35Å
357G37.9Very low53.7Low55 Ų55130.3 Ų130.357%0.56768%0.679SS**  trans-56.4-176172.100000113.2E355 S359E355-G357 PolarHBondContact O-N 3.02Å; E355-G357 VanDerWaalsContact O-N 3.11Å; G357-S359 PolarHBondContact O-N 3.03Å; G357-S359 VanDerWaalsContact O-N 3.1Å
358P34.7Very low51.5Low130 Ų130134.2 Ų134.284%0.84470%0.699SS**  trans-64.2115.2-15628.3-34000111.4C360P358-C360 PolarHBondContact O-N 2.86Å
359S35.2Very low48.8Very low100 Ų100133.5 Ų133.570%0.69971%0.71SS**  trans-76.2110.4161.351.90000108.4G357 F361G357-S359 PolarHBondContact O-N 3.03Å; G357-S359 VanDerWaalsContact O-N 3.1Å; S359-F361 PolarHBondContact O-N 3.36Å
360C31.5Very low45.9Very low123 Ų123138.5 Ų138.583%0.83174%0.737SS**  trans-51.2121.5173.3-800000111.2P358P358-C360 PolarHBondContact O-N 2.86Å
361F37.6Very low42.9Very low192 Ų192147.5 Ų147.584%0.84279%0.785SS**  trans-80.1124.7162.8-69.5-84.6000109.1S359S359-F361 PolarHBondContact O-N 3.36Å
362I32.2Very low40.9Very low236 Ų236152.7 Ų152.7100%1.2180%0.803SS**  trans-105.10153.8-59.3179.4000106.9

Retrieved 362 of 362 residues in 191.8 ms (Link to these results)

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