A0A3P9P7M3_POERE Loading...

Calcium and integrin binding family member 3

AlphaFold DB , UniProt , Accession A0A3P9P7M3, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 187 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
1M37.6Very low64.7Low244 Ų244111.8 Ų111.8100%1.20261%0.613SS**  0100.10-69175.5-178.600106.3N3M1-N3 PolarHBondContact O-N 3.07Å
2G39.5Very low66.3Low77 Ų77103.5 Ų103.579%0.79457%0.567SS**  trans-72.3110.7-176.500000109.1K4G2-K4 PolarHBondContact O-N 3.06Å
3N39.9Very low67.7Low160 Ų16097.2 Ų97.286%0.85653%0.532SS*.  trans-53.6111.6163.5-95.3-9.6000106.4M1 Q5M1-N3 PolarHBondContact O-N 3.07Å; N3-Q5 PolarHBondContact O-N 3.42Å
4K49.8Very low69.1Low193 Ų19394.4 Ų94.484%0.83952%0.516SS*.  trans-65.396.1165.3-74.3-177.7177.4-179.50105.1G2 T6G2-K4 PolarHBondContact O-N 3.06Å; K4-T6 PolarHBondContact O-N 2.6Å
5Q57.8Low70.2Confident159 Ų15991.4 Ų91.474%0.74351%0.509SS*.  trans-57.4111.4166.2-109.6173.4-18.900106.3N3 I7N3-Q5 PolarHBondContact O-N 3.42Å; Q5-I7 PolarHBondContact O-N 2.96Å
6T68.2Low71.1Confident93 Ų9386.9 Ų86.957%0.57148%0.482SS*.  trans-81.3113.4175.8460000107.2K4 F8K4-T6 PolarHBondContact O-N 2.6Å; T6-F8 VanDerWaalsContact C-N 3.27Å; T6-F8 PolarHBondContact O-N 3.16Å
7I80.2Confident72Confident15 Ų1586.7 Ų86.78%0.07748%0.476CS..SBendtrans-61-43177.8-63.7170.9000110.3Q5 L28 F31 Y32 L44 Y46 T47Q5-I7 PolarHBondContact O-N 2.96Å; I7-L28 HydrophobicContact CB-CD2 4.48Å; I7-L28 HydrophobicContact CD1-CD2 4.19Å; I7-F31 HydrophobicContact CB-CE1 4.42Å; I7-F31 HydrophobicContact CD1-CD1 4.05Å; I7-F31 HydrophobicContact CD1-CE1 3.92Å; I7-F31 HydrophobicContact CG1-CE1 4.32Å; I7-F31 HydrophobicContact CG2-CD1 3.63Å; I7-F31 HydrophobicContact CG2-CD2 4.42Å; I7-F31 HydrophobicContact CG2-CE1 3.28Å; I7-F31 HydrophobicContact CG2-CE2 4.12Å; I7-F31 HydrophobicContact CG2-CG 4.17Å; I7-F31 HydrophobicContact CG2-CZ 3.54Å; I7-Y32 HydrophobicContact CD1-CE1 3.8Å; I7-Y32 HydrophobicContact CD1-CE2 4.12Å; I7-Y32 VanDerWaalsContact CD1-CZ 3.43Å; I7-Y32 WeakPolarHBondContact CD1-OH 3.27Å; I7-L44 WeakPolarHBondContact CA-O 3.45Å; I7-L44 WeakPolarHBondContact CG1-O 3.46Å; I7-L44 WeakPolarHBondContact CG2-O 3.43Å; I7-Y46 CarbonylContact O-C 3.41Å; I7-Y46 WeakPolarHBondContact O-CA 3.37Å; I7-Y46 WeakPolarHBondContact O-CB 3.43Å; I7-Y46 PolarHBondContact O-N 3.28Å; I7-T47 PolarHBondContact O-N 3.16Å
8F84.9Confident72.6Confident8 Ų889.3 Ų89.34%0.03549%0.49CS..SBendtrans-124.4152.7178.2-58.4-75.8000109.8T6 Q12 L13 Y16 L28 F31 Y46 L88T6-F8 VanDerWaalsContact C-N 3.27Å; T6-F8 PolarHBondContact O-N 3.16Å; F8-Q12 HydrophobicContact CB-CB 4.23Å; F8-L13 HydrophobicContact CB-CD1 4.21Å; F8-L13 HydrophobicContact CB-CD2 4.01Å; F8-L13 HydrophobicContact CB-CG 3.71Å; F8-L13 HydrophobicContact CD2-CD2 3.79Å; F8-L13 HydrophobicContact CD2-CG 4.43Å; F8-L13 HydrophobicContact CG-CD2 4.12Å; F8-L13 HydrophobicContact CG-CG 4.36Å; F8-Y16 HydrophobicContact CD1-CE2 4.09Å; F8-Y16 AromaticContact CE1-CE2 3.98Å; F8-Y16 HydrophobicContact CE1-CE2 3.98Å; F8-L28 HydrophobicContact CD2-CD2 3.83Å; F8-L28 HydrophobicContact CE2-CD2 4.02Å; F8-F31 HydrophobicContact CE1-CD2 4.4Å; F8-F31 HydrophobicContact CE2-CB 3.88Å; F8-F31 HydrophobicContact CE2-CD1 4.29Å; F8-F31 HydrophobicContact CE2-CD2 4.09Å; F8-F31 AromaticContact CE2-CG 3.8Å; F8-F31 HydrophobicContact CE2-CG 3.8Å; F8-F31 HydrophobicContact CZ-CB 3.9Å; F8-F31 HydrophobicContact CZ-CD1 4.46Å; F8-F31 AromaticContact CZ-CD2 3.47Å; F8-F31 HydrophobicContact CZ-CD2 3.47Å; F8-F31 VanDerWaalsContact CZ-CD2 3.47Å; F8-F31 HydrophobicContact CZ-CE2 4.09Å; F8-F31 AromaticContact CZ-CG 3.66Å; F8-F31 HydrophobicContact CZ-CG 3.66Å; F8-Y46 HydrophobicContact CD1-CD1 4.33Å; F8-Y46 HydrophobicContact CD1-CG 4.49Å; F8-Y46 AromaticContact CE1-CD1 3.67Å; F8-Y46 HydrophobicContact CE1-CD1 3.67Å; F8-Y46 AromaticContact CE1-CG 3.83Å; F8-Y46 HydrophobicContact CE1-CG 3.83Å; F8-L88 HydrophobicContact CE1-CD2 3.65Å; F8-L88 HydrophobicContact CZ-CD2 3.64Å
9T85.8Confident73Confident52 Ų5289.7 Ų89.732%0.31950%0.498SS..  trans-69.5159164.968.10000110.4Q11 Q12 L13 T47T9-Q11 VanDerWaalsContact C-N 3.27Å; T9-Q11 PolarHBondContact O-N 3.26Å; T9-Q12 PolarHBondContact O-N 3Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.47Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.31Å; T9-Q12 PolarHBondContact OG1-N 3.21Å; T9-Q12 PolarHBondContact OG1-OE1 3.21Å; T9-L13 PolarHBondContact O-N 2.93Å; T9-L13 VanDerWaalsContact O-N 3.14Å; T9-T47 HydrophobicContact CG2-CG2 3.95Å
10A83.6Confident73.4Confident66 Ų6685.7 Ų85.755%0.54548%0.476SS..Hα-helixtrans-60.5-38.7176.700000112L13 D14A10-L13 PolarHBondContact O-N 3.49Å; A10-D14 PolarHBondContact O-N 3.28Å
11Q85.1Confident73.7Confident163 Ų16386 Ų8676%0.76247%0.471SS*.Hα-helixtrans-65.2-39.5178.5-69.4177.4-10.400112.3T9 D14 A15T9-Q11 VanDerWaalsContact C-N 3.27Å; T9-Q11 PolarHBondContact O-N 3.26Å; Q11-D14 PolarHBondContact O-N 3.43Å; Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 2.71Å
12Q83.6Confident75.9Confident12 Ų1275 Ų756%0.05642%0.416CS..Hα-helixtrans-63.4-45.6174.7-75.3170.6-53.700111.7F8 T9 D14 A15 Y16 Y46 T47 H49F8-Q12 HydrophobicContact CB-CB 4.23Å; T9-Q12 PolarHBondContact O-N 3Å; T9-Q12 WeakPolarHBondContact OG1-CB 3.47Å; T9-Q12 WeakPolarHBondContact OG1-CG 3.31Å; T9-Q12 PolarHBondContact OG1-N 3.21Å; T9-Q12 PolarHBondContact OG1-OE1 3.21Å; Q12-D14 PolarHBondContact O-N 3.32Å; Q12-A15 PolarHBondContact O-N 2.79Å; Q12-Y16 HydrophobicContact CB-CE2 4.41Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.31Å; Q12-Y16 PolarHBondContact O-N 2.84Å; Q12-Y46 PolarHBondContact NE2-O 3.23Å; Q12-T47 PolarHBondContact NE2-O 3.07Å; Q12-H49 VanDerWaalsContact CG-NE2 3.31Å; Q12-H49 WeakPolarHBondContact CG-NE2 3.48Å; Q12-H49 PolarHBondContact NE2-CD2 2.77Å; Q12-H49 PolarHBondContact NE2-CE1 3.39Å; Q12-H49 VanDerWaalsContact NE2-CE1 3.28Å; Q12-H49 PolarHBondContact NE2-NE2 3.5Å
13L84.5Confident78.1Confident22 Ų2274.6 Ų74.612%0.11540%0.399CS..Hα-helixtrans-63.5-33.2177.5-73.3170.7000112.3F8 T9 A10 Q17 R24 I27F8-L13 HydrophobicContact CB-CD1 4.21Å; F8-L13 HydrophobicContact CB-CD2 4.01Å; F8-L13 HydrophobicContact CB-CG 3.71Å; F8-L13 HydrophobicContact CD2-CD2 3.79Å; F8-L13 HydrophobicContact CD2-CG 4.43Å; F8-L13 HydrophobicContact CG-CD2 4.12Å; F8-L13 HydrophobicContact CG-CG 4.36Å; T9-L13 PolarHBondContact O-N 2.93Å; T9-L13 VanDerWaalsContact O-N 3.14Å; A10-L13 PolarHBondContact O-N 3.49Å; L13-Q17 VanDerWaalsContact O-CB 3.26Å; L13-Q17 WeakPolarHBondContact O-CB 3.39Å; L13-Q17 PolarHBondContact O-N 2.84Å; L13-R24 HydrophobicContact CB-CG 4.22Å; L13-I27 HydrophobicContact CD2-CG2 4.07Å
14D86.4Confident80.3Confident57 Ų5772.6 Ų72.631%0.30538%0.379SS..Hα-helixtrans-70.2-46175.1-69.3-17.1000110.9A10 Q11 Q12 Y16 Q17 D18 R24A10-D14 PolarHBondContact O-N 3.28Å; Q11-D14 PolarHBondContact O-N 3.43Å; Q12-D14 PolarHBondContact O-N 3.32Å; D14-Y16 PolarHBondContact O-N 3.45Å; D14-Q17 PolarHBondContact O-N 3.13Å; D14-Q17 VanDerWaalsContact O-N 3.14Å; D14-D18 WeakPolarHBondContact O-CB 3.23Å; D14-D18 VanDerWaalsContact O-CG 3.24Å; D14-D18 PolarHBondContact O-N 3.2Å; D14-R24 IonicContact OD1-CZ 3.65Å; D14-R24 IonicContact OD1-NE 2.7Å; D14-R24 PolarHBondContact OD1-NE 3.24Å; D14-R24 VanDerWaalsContact OD1-NE 3.08Å; D14-R24 IonicContact OD1-NH2 3.04Å; D14-R24 PolarHBondContact OD1-NH2 3.4Å; D14-R24 IonicContact OD2-NH2 3.96Å
15A85.8Confident82Confident50 Ų5071.1 Ų71.141%0.41337%0.372SS..Hα-helixtrans-58.4-45.4174.800000112.3Q11 Q12 Q17 D18 C19Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 2.71Å; Q12-A15 PolarHBondContact O-N 2.79Å; A15-Q17 VanDerWaalsContact C-N 3.32Å; A15-Q17 PolarHBondContact O-N 3.05Å; A15-D18 PolarHBondContact O-N 3.02Å; A15-C19 WeakPolarHBondContact O-CB 3.23Å; A15-C19 PolarHBondContact O-N 3.36Å; A15-C19 PolarHBondContact O-SG 3.36Å; A15-C19 VanDerWaalsContact O-SG 3.34Å
16Y85.5Confident83.4Confident20 Ų2066.8 Ų66.88%0.07835%0.352CS..Hα-helixtrans-63.4-38.4175.9-73.4-49.9000112.7F8 Q12 D14 D18 T20 I27 H49 D89 L92F8-Y16 HydrophobicContact CD1-CE2 4.09Å; F8-Y16 AromaticContact CE1-CE2 3.98Å; F8-Y16 HydrophobicContact CE1-CE2 3.98Å; Q12-Y16 HydrophobicContact CB-CE2 4.41Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.31Å; Q12-Y16 PolarHBondContact O-N 2.84Å; D14-Y16 PolarHBondContact O-N 3.45Å; Y16-D18 VanDerWaalsContact C-N 3.31Å; Y16-T20 VanDerWaalsContact O-CB 3.31Å; Y16-T20 WeakPolarHBondContact O-CB 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.35Å; Y16-T20 PolarHBondContact O-N 3.46Å; Y16-T20 PolarHBondContact O-OG1 3.34Å; Y16-I27 HydrophobicContact CD2-CG2 4.26Å; Y16-I27 HydrophobicContact CG-CG2 4.44Å; Y16-H49 PolarHBondContact OH-CE1 3.09Å; Y16-D89 WeakPolarHBondContact CE1-OD1 3.4Å; Y16-D89 PolarHBondContact OH-OD1 2.77Å; Y16-L92 HydrophobicContact CD1-CD1 3.6Å; Y16-L92 HydrophobicContact CD2-CD1 4.44Å; Y16-L92 HydrophobicContact CE1-CD1 3.73Å; Y16-L92 HydrophobicContact CG-CD1 4Å
17Q85.6Confident84.3Confident83 Ų8362.4 Ų62.439%0.38833%0.325SS..Hα-helixtrans-71.9-27.7177.5-175.6174.4-60.100112.3L13 D14 A15 F22 I27L13-Q17 VanDerWaalsContact O-CB 3.26Å; L13-Q17 WeakPolarHBondContact O-CB 3.39Å; L13-Q17 PolarHBondContact O-N 2.84Å; D14-Q17 PolarHBondContact O-N 3.13Å; D14-Q17 VanDerWaalsContact O-N 3.14Å; A15-Q17 VanDerWaalsContact C-N 3.32Å; A15-Q17 PolarHBondContact O-N 3.05Å; Q17-F22 WeakPolarHBondContact CG-O 3.47Å; Q17-I27 HydrophobicContact CB-CD1 4.17Å
18D83.4Confident84.6Confident134 Ų13464.2 Ų64.272%0.71734%0.335SS*.Hα-helixtrans-78.5-32.6176.2-70.3-18.9000111.8D14 A15 Y16D14-D18 WeakPolarHBondContact O-CB 3.23Å; D14-D18 VanDerWaalsContact O-CG 3.24Å; D14-D18 PolarHBondContact O-N 3.2Å; A15-D18 PolarHBondContact O-N 3.02Å; Y16-D18 VanDerWaalsContact C-N 3.31Å
19C79.8Confident84.7Confident97 Ų9772.3 Ų72.366%0.65537%0.365SS*.Hα-helixtrans-89.3-18.7-180-65.10000114A15A15-C19 WeakPolarHBondContact O-CB 3.23Å; A15-C19 PolarHBondContact O-N 3.36Å; A15-C19 PolarHBondContact O-SG 3.36Å; A15-C19 VanDerWaalsContact O-SG 3.34Å
20T81.3Confident84.8Confident8 Ų870 Ų705%0.04935%0.351CS..SBendtrans-123.6160.2-177.8720000111.8Y16 F22 L92Y16-T20 VanDerWaalsContact O-CB 3.31Å; Y16-T20 WeakPolarHBondContact O-CB 3.23Å; Y16-T20 WeakPolarHBondContact O-CG2 3.35Å; Y16-T20 PolarHBondContact O-N 3.46Å; Y16-T20 PolarHBondContact O-OG1 3.34Å; T20-F22 PolarHBondContact O-N 2.98Å; T20-F22 VanDerWaalsContact O-N 3.1Å; T20-F22 PolarHBondContact OG1-N 3.34Å; T20-L92 HydrophobicContact CG2-CB 4.35Å
21Y78.6Confident85.1Confident93 Ų9366.9 Ų66.937%0.36533%0.325SS..SBendtrans-80.922.8175.7-58.4-74.5000113.3S96 A102 P103 L106Y21-S96 WeakPolarHBondContact CD2-OG 3.48Å; Y21-S96 PolarHBondContact N-OG 2.91Å; Y21-A102 HydrophobicContact CD2-CB 4.18Å; Y21-A102 HydrophobicContact CE2-CB 4.21Å; Y21-P103 HydrophobicContact CE1-CG 4.46Å; Y21-P103 WeakPolarHBondContact OH-CD 3.45Å; Y21-P103 VanDerWaalsContact OH-CG 3.22Å; Y21-P103 WeakPolarHBondContact OH-CG 3.44Å; Y21-L106 HydrophobicContact CE2-CD2 4.07Å
22F83.8Confident85.3Confident12 Ų1264.3 Ų64.35%0.05331%0.309CS..  trans-110.7143.7-172.7-65.8-49.8000113.5Q17 T20 E26 I27 L30 F95 S96 I187Q17-F22 WeakPolarHBondContact CG-O 3.47Å; T20-F22 PolarHBondContact O-N 2.98Å; T20-F22 VanDerWaalsContact O-N 3.1Å; T20-F22 PolarHBondContact OG1-N 3.34Å; F22-E26 HydrophobicContact CB-CB 3.93Å; F22-E26 HydrophobicContact CD1-CB 4.03Å; F22-E26 HydrophobicContact CG-CB 4.21Å; F22-I27 HydrophobicContact CB-CD1 4.47Å; F22-I27 HydrophobicContact CB-CG1 3.89Å; F22-L30 HydrophobicContact CD2-CD1 3.74Å; F22-L30 HydrophobicContact CE1-CD1 4.48Å; F22-L30 HydrophobicContact CE2-CD1 3.46Å; F22-L30 VanDerWaalsContact CE2-CD1 3.46Å; F22-L30 HydrophobicContact CG-CD1 4.35Å; F22-L30 HydrophobicContact CZ-CD1 3.87Å; F22-F95 HydrophobicContact CE2-CB 3.87Å; F22-F95 HydrophobicContact CZ-CB 3.77Å; F22-F95 WeakPolarHBondContact CZ-O 3.33Å; F22-S96 VanDerWaalsContact CE2-CA 3.48Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; F22-I187 HydrophobicContact CE1-CD1 4.22Å; F22-I187 HydrophobicContact CZ-CD1 3.99Å
23T86.1Confident85.4Confident70 Ų7067.7 Ų67.743%0.42932%0.321SS..  trans-72.6157.5168.865.10000111.3K25 E26 I27T23-K25 PolarHBondContact O-N 2.95Å; T23-E26 WeakPolarHBondContact CB-OE2 3.5Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.36Å; T23-E26 PolarHBondContact N-OE2 2.94Å; T23-E26 PolarHBondContact O-N 3.09Å; T23-E26 PolarHBondContact OG1-N 2.84Å; T23-E26 PolarHBondContact OG1-OE2 3.33Å; T23-I27 PolarHBondContact O-N 3.14Å
24R86.3Confident85.6Confident117 Ų11766.6 Ų66.644%0.44232%0.316SS..Hα-helixtrans-48.9-31.4172-55.8-165.7-174.9145.1-3.5114L13 D14 L28L13-R24 HydrophobicContact CB-CG 4.22Å; D14-R24 IonicContact OD1-CZ 3.65Å; D14-R24 IonicContact OD1-NE 2.7Å; D14-R24 PolarHBondContact OD1-NE 3.24Å; D14-R24 VanDerWaalsContact OD1-NE 3.08Å; D14-R24 IonicContact OD1-NH2 3.04Å; D14-R24 PolarHBondContact OD1-NH2 3.4Å; D14-R24 IonicContact OD2-NH2 3.96Å; R24-L28 VanDerWaalsContact O-CG 3.26Å; R24-L28 WeakPolarHBondContact O-CG 3Å; R24-L28 PolarHBondContact O-N 3.01Å
25K85.7Confident85.8Confident162 Ų16266.8 Ų66.870%0.70431%0.312SS*.Hα-helixtrans-72.4-38.4177.8-71.4-178.1-178.8174.50112.4T23 R29T23-K25 PolarHBondContact O-N 2.95Å; K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 3.01Å; K25-R29 VanDerWaalsContact O-N 3.08Å
26E86.3Confident85.9Confident69 Ų6970 Ų7032%0.32232%0.323SS..Hα-helixtrans-71.4-42.1177.8-73.7157.2147.900110.9F22 T23 L28 R29 L30F22-E26 HydrophobicContact CB-CB 3.93Å; F22-E26 HydrophobicContact CD1-CB 4.03Å; F22-E26 HydrophobicContact CG-CB 4.21Å; T23-E26 WeakPolarHBondContact CB-OE2 3.5Å; T23-E26 WeakPolarHBondContact CG2-OE2 3.36Å; T23-E26 PolarHBondContact N-OE2 2.94Å; T23-E26 PolarHBondContact O-N 3.09Å; T23-E26 PolarHBondContact OG1-N 2.84Å; T23-E26 PolarHBondContact OG1-OE2 3.33Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.16Å; E26-R29 WeakPolarHBondContact O-CB 3.18Å; E26-R29 PolarHBondContact O-N 2.93Å; E26-L30 WeakPolarHBondContact O-CG 3.33Å; E26-L30 PolarHBondContact O-N 3.34Å
27I87.2Confident86Confident0 Ų070.9 Ų70.90%033%0.328CS..Hα-helixtrans-55.4-46.3172.9-65.1158.8000110.5L13 Y16 Q17 F22 T23 R29 L30 F31 L92L13-I27 HydrophobicContact CD2-CG2 4.07Å; Y16-I27 HydrophobicContact CD2-CG2 4.26Å; Y16-I27 HydrophobicContact CG-CG2 4.44Å; Q17-I27 HydrophobicContact CB-CD1 4.17Å; F22-I27 HydrophobicContact CB-CD1 4.47Å; F22-I27 HydrophobicContact CB-CG1 3.89Å; T23-I27 PolarHBondContact O-N 3.14Å; I27-R29 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.18Å; I27-F31 WeakPolarHBondContact O-CB 3.31Å; I27-F31 PolarHBondContact O-N 3.25Å; I27-L92 HydrophobicContact CG2-CD1 4.28Å; I27-L92 HydrophobicContact CG2-CD2 4.43Å
28L86.9Confident86.1Confident54 Ų5466.9 Ų66.928%0.28331%0.31SS..Hα-helixtrans-63.1-39.8175.8-72.6171.1000112.6I7 F8 R24 E26 F31 Y32I7-L28 HydrophobicContact CB-CD2 4.48Å; I7-L28 HydrophobicContact CD1-CD2 4.19Å; F8-L28 HydrophobicContact CD2-CD2 3.83Å; F8-L28 HydrophobicContact CE2-CD2 4.02Å; R24-L28 VanDerWaalsContact O-CG 3.26Å; R24-L28 WeakPolarHBondContact O-CG 3Å; R24-L28 PolarHBondContact O-N 3.01Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.16Å; L28-F31 PolarHBondContact O-N 3.19Å; L28-Y32 WeakPolarHBondContact O-CD2 3.3Å; L28-Y32 PolarHBondContact O-N 3.35Å
29R87.8Confident86.1Confident177 Ų17763.6 Ų63.667%0.66830%0.295SS*.Hα-helixtrans-63.9-44.3176.7-76.6174.1174.4-178.1-2.3111.7K25 E26 I27 Y32 R33K25-R29 WeakPolarHBondContact O-CG 3.46Å; K25-R29 PolarHBondContact O-N 3.01Å; K25-R29 VanDerWaalsContact O-N 3.08Å; E26-R29 WeakPolarHBondContact O-CB 3.18Å; E26-R29 PolarHBondContact O-N 2.93Å; I27-R29 PolarHBondContact O-N 3.37Å; R29-Y32 PolarHBondContact O-N 3.32Å; R29-R33 PolarHBondContact O-N 2.88Å
30L88.2Confident86.3Confident4 Ų466.2 Ų66.22%0.02130%0.298CS..Hα-helixtrans-64.3-41.9177-71.4173.7000111.1F22 E26 I27 Y32 R33 Y34 F91 L92 F95 I187F22-L30 HydrophobicContact CD2-CD1 3.74Å; F22-L30 HydrophobicContact CE1-CD1 4.48Å; F22-L30 HydrophobicContact CE2-CD1 3.46Å; F22-L30 VanDerWaalsContact CE2-CD1 3.46Å; F22-L30 HydrophobicContact CG-CD1 4.35Å; F22-L30 HydrophobicContact CZ-CD1 3.87Å; E26-L30 WeakPolarHBondContact O-CG 3.33Å; E26-L30 PolarHBondContact O-N 3.34Å; I27-L30 PolarHBondContact O-N 3.18Å; L30-Y32 PolarHBondContact O-N 2.77Å; L30-R33 PolarHBondContact O-N 3Å; L30-Y34 WeakPolarHBondContact O-CB 3.31Å; L30-Y34 PolarHBondContact O-N 2.9Å; L30-F91 HydrophobicContact CB-CE1 4.39Å; L30-F91 HydrophobicContact CD2-CE1 4.29Å; L30-L92 HydrophobicContact CB-CD2 3.72Å; L30-L92 HydrophobicContact CD1-CD2 3.66Å; L30-L92 HydrophobicContact CG-CD2 4.34Å; L30-F95 HydrophobicContact CD1-CB 4.03Å; L30-F95 HydrophobicContact CD2-CB 4.21Å; L30-F95 HydrophobicContact CD2-CD1 4.34Å; L30-F95 HydrophobicContact CD2-CD2 3.8Å; L30-F95 HydrophobicContact CD2-CE2 4.29Å; L30-F95 HydrophobicContact CD2-CG 3.85Å; L30-I187 HydrophobicContact CD2-CD1 4.44Å; L30-I187 HydrophobicContact CD2-CG2 4.26Å
31F89.4Confident86.4Confident0 Ų070.1 Ų70.10%032%0.318CS..Hα-helixtrans-58.7-45173.1172.5-98.1000112.6I7 F8 I27 L28 R33 Y34 R35 V42 P43 Y46 L88I7-F31 HydrophobicContact CB-CE1 4.42Å; I7-F31 HydrophobicContact CD1-CD1 4.05Å; I7-F31 HydrophobicContact CD1-CE1 3.92Å; I7-F31 HydrophobicContact CG1-CE1 4.32Å; I7-F31 HydrophobicContact CG2-CD1 3.63Å; I7-F31 HydrophobicContact CG2-CD2 4.42Å; I7-F31 HydrophobicContact CG2-CE1 3.28Å; I7-F31 HydrophobicContact CG2-CE2 4.12Å; I7-F31 HydrophobicContact CG2-CG 4.17Å; I7-F31 HydrophobicContact CG2-CZ 3.54Å; F8-F31 HydrophobicContact CE1-CD2 4.4Å; F8-F31 HydrophobicContact CE2-CB 3.88Å; F8-F31 HydrophobicContact CE2-CD1 4.29Å; F8-F31 HydrophobicContact CE2-CD2 4.09Å; F8-F31 AromaticContact CE2-CG 3.8Å; F8-F31 HydrophobicContact CE2-CG 3.8Å; F8-F31 HydrophobicContact CZ-CB 3.9Å; F8-F31 HydrophobicContact CZ-CD1 4.46Å; F8-F31 AromaticContact CZ-CD2 3.47Å; F8-F31 HydrophobicContact CZ-CD2 3.47Å; F8-F31 VanDerWaalsContact CZ-CD2 3.47Å; F8-F31 HydrophobicContact CZ-CE2 4.09Å; F8-F31 AromaticContact CZ-CG 3.66Å; F8-F31 HydrophobicContact CZ-CG 3.66Å; I27-F31 WeakPolarHBondContact O-CB 3.31Å; I27-F31 PolarHBondContact O-N 3.25Å; L28-F31 PolarHBondContact O-N 3.19Å; F31-R33 VanDerWaalsContact C-N 3.33Å; F31-R33 PolarHBondContact O-N 3.28Å; F31-Y34 WeakPolarHBondContact O-CB 3.35Å; F31-Y34 PolarHBondContact O-N 2.98Å; F31-R35 WeakPolarHBondContact O-CB 3.3Å; F31-R35 PolarHBondContact O-N 3.42Å; F31-V42 HydrophobicContact CE2-CG1 3.89Å; F31-V42 HydrophobicContact CZ-CG1 4.2Å; F31-P43 WeakPolarHBondContact CZ-O 3.41Å; F31-Y46 AromaticContact CE2-CD2 3.59Å; F31-Y46 HydrophobicContact CE2-CD2 3.59Å; F31-Y46 HydrophobicContact CE2-CE2 4.18Å; F31-Y46 HydrophobicContact CE2-CG 4.07Å; F31-Y46 HydrophobicContact CZ-CD2 4.31Å; F31-L88 HydrophobicContact CB-CD1 4.4Å; F31-L88 HydrophobicContact CD2-CD1 4.01Å; F31-L88 HydrophobicContact CD2-CD2 3.9Å
32Y88.7Confident86.8Confident109 Ų10965.8 Ų65.843%0.42730%0.301SS..Hα-helixtrans-63.6-38.8176.5-74.8-62.1000111.9I7 L28 R29 L30 R35 D36 L44I7-Y32 HydrophobicContact CD1-CE1 3.8Å; I7-Y32 HydrophobicContact CD1-CE2 4.12Å; I7-Y32 VanDerWaalsContact CD1-CZ 3.43Å; I7-Y32 WeakPolarHBondContact CD1-OH 3.27Å; L28-Y32 WeakPolarHBondContact O-CD2 3.3Å; L28-Y32 PolarHBondContact O-N 3.35Å; R29-Y32 PolarHBondContact O-N 3.32Å; L30-Y32 PolarHBondContact O-N 2.77Å; Y32-R35 PolarHBondContact O-N 3.35Å; Y32-D36 WeakPolarHBondContact O-CB 3.45Å; Y32-D36 PolarHBondContact O-N 3.4Å; Y32-L44 HydrophobicContact CE1-CD2 4.46Å
33R87.3Confident86.8Confident83 Ų8367.6 Ų67.631%0.31331%0.314SS..Hα-helixtrans-61.8-47.3172.3-74.9-166.7-178.4170.314111.6R29 L30 F31 R35 D36 L37 E64 I187R29-R33 PolarHBondContact O-N 2.88Å; L30-R33 PolarHBondContact O-N 3Å; F31-R33 VanDerWaalsContact C-N 3.33Å; F31-R33 PolarHBondContact O-N 3.28Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 3.23Å; R33-D36 PolarHBondContact O-N 3.33Å; R33-D36 VanDerWaalsContact O-N 3.12Å; R33-L37 WeakPolarHBondContact O-CG 3.5Å; R33-L37 PolarHBondContact O-N 2.92Å; R33-L37 VanDerWaalsContact O-N 3.14Å; R33-E64 IonicContact CZ-OE1 3.76Å; R33-E64 IonicContact NH1-OE1 2.85Å; R33-E64 PolarHBondContact NH1-OE1 3.45Å; R33-I187 PolarHBondContact NH1-OXT 2.99Å; R33-I187 PolarHBondContact NH2-OXT 3.21Å
34Y88.3Confident86.7Confident0 Ų067.6 Ų67.60%031%0.311CS..Hα-helixtrans-56.5-43.5176.4-174.7-98000111.3L30 F31 L37 V42 V52 L54 M86 T87 L88 F91L30-Y34 WeakPolarHBondContact O-CB 3.31Å; L30-Y34 PolarHBondContact O-N 2.9Å; F31-Y34 WeakPolarHBondContact O-CB 3.35Å; F31-Y34 PolarHBondContact O-N 2.98Å; Y34-L37 WeakPolarHBondContact O-CB 3.34Å; Y34-L37 PolarHBondContact O-N 3.35Å; Y34-V42 HydrophobicContact CD1-CB 4.47Å; Y34-V42 HydrophobicContact CD1-CG1 3.92Å; Y34-V42 HydrophobicContact CD1-CG2 3.71Å; Y34-V42 HydrophobicContact CE1-CG1 4.16Å; Y34-V42 HydrophobicContact CE1-CG2 3.56Å; Y34-V52 PolarHBondContact OH-O 3.23Å; Y34-L54 HydrophobicContact CD1-CD1 4.18Å; Y34-L54 HydrophobicContact CD2-CD1 3.35Å; Y34-L54 HydrophobicContact CD2-CG 4.09Å; Y34-L54 HydrophobicContact CE1-CD1 4.11Å; Y34-L54 HydrophobicContact CE1-CG 4.01Å; Y34-L54 HydrophobicContact CE2-CB 4.17Å; Y34-L54 HydrophobicContact CE2-CD1 3.29Å; Y34-L54 HydrophobicContact CE2-CG 3.5Å; Y34-L54 VanDerWaalsContact CE2-CG 3.5Å; Y34-L54 HydrophobicContact CG-CD1 3.82Å; Y34-L54 VanDerWaalsContact CZ-CG 3.44Å; Y34-L54 WeakPolarHBondContact O-CD1 3.43Å; Y34-L54 PolarHBondContact OH-N 3.46Å; Y34-M86 PolarHBondContact OH-O 3.43Å; Y34-T87 VanDerWaalsContact OH-C 3.32Å; Y34-T87 WeakPolarHBondContact OH-CA 3.22Å; Y34-L88 HydrophobicContact CD1-CB 4.45Å; Y34-L88 HydrophobicContact CD1-CD1 4.02Å; Y34-L88 HydrophobicContact CD2-CD1 4.49Å; Y34-L88 HydrophobicContact CE1-CB 4.18Å; Y34-L88 HydrophobicContact CG-CD1 3.99Å; Y34-L88 PolarHBondContact OH-N 3.03Å; Y34-F91 HydrophobicContact CD2-CB 3.78Å; Y34-F91 AromaticContact CD2-CD1 3.98Å; Y34-F91 HydrophobicContact CD2-CD1 3.98Å; Y34-F91 AromaticContact CD2-CD2 3.73Å; Y34-F91 HydrophobicContact CD2-CD2 3.73Å; Y34-F91 HydrophobicContact CD2-CE1 4.42Å; Y34-F91 HydrophobicContact CD2-CE2 4.16Å; Y34-F91 AromaticContact CD2-CG 3.59Å; Y34-F91 HydrophobicContact CD2-CG 3.59Å; Y34-F91 HydrophobicContact CD2-CZ 4.48Å; Y34-F91 HydrophobicContact CE2-CB 3.99Å; Y34-F91 HydrophobicContact CE2-CD2 4.31Å; Y34-F91 HydrophobicContact CE2-CG 4.24Å
35R89Confident86.6Confident61 Ų6165.8 Ų65.823%0.2331%0.31CS..Hα-helixtrans-68.4-38.4175.1-179.2166.2-178.4-96.4-3.6113.3F31 Y32 R33 L37 A38 P39 V42 L44F31-R35 WeakPolarHBondContact O-CB 3.3Å; F31-R35 PolarHBondContact O-N 3.42Å; Y32-R35 PolarHBondContact O-N 3.35Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 3.23Å; R35-L37 PolarHBondContact O-N 2.89Å; R35-A38 CarbonylContact O-C 3.05Å; R35-A38 PolarHBondContact O-N 3.23Å; R35-A38 VanDerWaalsContact O-N 3.15Å; R35-P39 WeakPolarHBondContact O-CA 3.44Å; R35-P39 WeakPolarHBondContact O-CD 3.48Å; R35-V42 HydrophobicContact CB-CB 4.12Å; R35-V42 HydrophobicContact CB-CG1 3.92Å; R35-V42 HydrophobicContact CG-CB 4.09Å; R35-V42 HydrophobicContact CG-CG1 4.21Å; R35-V42 PolarHBondContact NE-O 2.64Å; R35-L44 VanDerWaalsContact CZ-CD2 3.46Å; R35-L44 VanDerWaalsContact NH1-CD2 3.3Å
36D89.3Confident86.5Confident118 Ų11858.3 Ų58.363%0.63128%0.278SS*.Hα-helixtrans-64.3-26.6178.9-77.2-11000112Y32 R33Y32-D36 WeakPolarHBondContact O-CB 3.45Å; Y32-D36 PolarHBondContact O-N 3.4Å; R33-D36 PolarHBondContact O-N 3.33Å; R33-D36 VanDerWaalsContact O-N 3.12Å
37L86.5Confident86.3Confident37 Ų3756.8 Ų56.819%0.19427%0.273CS..Hα-helixtrans-67.5-39.8172.6-66.1171.3000112.5R33 Y34 R35 L54 L58 I59 M62 F91R33-L37 WeakPolarHBondContact O-CG 3.5Å; R33-L37 PolarHBondContact O-N 2.92Å; R33-L37 VanDerWaalsContact O-N 3.14Å; Y34-L37 WeakPolarHBondContact O-CB 3.34Å; Y34-L37 PolarHBondContact O-N 3.35Å; R35-L37 PolarHBondContact O-N 2.89Å; L37-L54 HydrophobicContact CB-CD1 3.91Å; L37-L54 HydrophobicContact CD1-CD1 3.96Å; L37-L58 HydrophobicContact CB-CB 4.38Å; L37-I59 HydrophobicContact CD1-CD1 4.01Å; L37-M62 HydrophobicContact CD1-CG 3.93Å; L37-M62 HydrophobicContact CD1-SD 3.68Å; L37-M62 HydrophobicContact CD2-CG 3.79Å; L37-M62 HydrophobicContact CG-CG 4.46Å; L37-F91 HydrophobicContact CD1-CE2 4.09Å; L37-F91 HydrophobicContact CD1-CZ 4.37Å
38A87.3Confident86Confident0 Ų063.4 Ų63.40%031%0.308CS..  trans-141.377.7174.200000112.6R35 Q40 L41 V42 L54 L58R35-A38 CarbonylContact O-C 3.05Å; R35-A38 PolarHBondContact O-N 3.23Å; R35-A38 VanDerWaalsContact O-N 3.15Å; A38-Q40 PolarHBondContact O-N 3.33Å; A38-Q40 VanDerWaalsContact O-N 3.11Å; A38-L41 HydrophobicContact CB-CB 3.83Å; A38-L41 HydrophobicContact CB-CD1 3.89Å; A38-L41 HydrophobicContact CB-CG 4.06Å; A38-L41 PolarHBondContact O-N 2.95Å; A38-V42 PolarHBondContact O-N 2.98Å; A38-L54 HydrophobicContact CB-CD2 3.32Å; A38-L58 HydrophobicContact CB-CD1 3.79Å
39P84.9Confident85.5Confident64 Ų6465.1 Ų65.142%0.41632%0.315SS..THydrogen-bonded Turntrans-66.5-21.1-175.224.4-33.6000112.7R35R35-P39 WeakPolarHBondContact O-CA 3.44Å; R35-P39 WeakPolarHBondContact O-CD 3.48Å
40Q83.8Confident85.1Confident153 Ų15358.5 Ų58.572%0.71530%0.295SS*.THydrogen-bonded Turntrans-80.6-23.6173.664-83.5-0.100114.5A38A38-Q40 PolarHBondContact O-N 3.33Å; A38-Q40 VanDerWaalsContact O-N 3.11Å
41L82.9Confident84.7Confident90 Ų9065 Ų6547%0.47133%0.33SS..THydrogen-bonded Turntrans-96.1-37.4-179.8-65.8176.4000111.5A38 P43 V52A38-L41 HydrophobicContact CB-CB 3.83Å; A38-L41 HydrophobicContact CB-CD1 3.89Å; A38-L41 HydrophobicContact CB-CG 4.06Å; A38-L41 PolarHBondContact O-N 2.95Å; L41-P43 WeakPolarHBondContact O-CD 3.39Å; L41-V52 HydrophobicContact CB-CG1 4.17Å
42V86.4Confident84.5Confident1 Ų165.9 Ų65.91%0.00634%0.335CS..SBendtrans-94.7110.3-174.1-174.50000110.6F31 Y34 R35 A38 Y46 V52 L54F31-V42 HydrophobicContact CE2-CG1 3.89Å; F31-V42 HydrophobicContact CZ-CG1 4.2Å; Y34-V42 HydrophobicContact CD1-CB 4.47Å; Y34-V42 HydrophobicContact CD1-CG1 3.92Å; Y34-V42 HydrophobicContact CD1-CG2 3.71Å; Y34-V42 HydrophobicContact CE1-CG1 4.16Å; Y34-V42 HydrophobicContact CE1-CG2 3.56Å; R35-V42 HydrophobicContact CB-CB 4.12Å; R35-V42 HydrophobicContact CB-CG1 3.92Å; R35-V42 HydrophobicContact CG-CB 4.09Å; R35-V42 HydrophobicContact CG-CG1 4.21Å; R35-V42 PolarHBondContact NE-O 2.64Å; A38-V42 PolarHBondContact O-N 2.98Å; V42-Y46 HydrophobicContact CG1-CE2 4.35Å; V42-V52 HydrophobicContact CG2-CG1 3.86Å; V42-L54 HydrophobicContact CG2-CD2 3.9Å
43P84.4Confident84.5Confident51 Ų5164.7 Ų64.733%0.33133%0.332SS..  trans-69.9153.8177.530.5-34.6000111.3F31 L41 D45 P50F31-P43 WeakPolarHBondContact CZ-O 3.41Å; L41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 PolarHBondContact O-N 3.31Å; P43-P50 HydrophobicContact CG-CB 4.3Å; P43-P50 HydrophobicContact CG-CG 3.67Å
44L83.3Confident84.6Confident70 Ų7060.8 Ų60.837%0.36632%0.317SS..SBendtrans-70.1-24.9172.7-82.7169.1000113.2I7 Y32 R35I7-L44 WeakPolarHBondContact CA-O 3.45Å; I7-L44 WeakPolarHBondContact CG1-O 3.46Å; I7-L44 WeakPolarHBondContact CG2-O 3.43Å; Y32-L44 HydrophobicContact CE1-CD2 4.46Å; R35-L44 VanDerWaalsContact CZ-CD2 3.46Å; R35-L44 VanDerWaalsContact NH1-CD2 3.3Å
45D84.8Confident84.6Confident78 Ų7863 Ų6342%0.41733%0.332SS..  trans-97.5107.5176.6-173.9-2.6000108.7P43 T47P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 PolarHBondContact O-N 3.31Å; D45-T47 VanDerWaalsContact OD1-CB 3.29Å; D45-T47 WeakPolarHBondContact OD1-CB 3.3Å; D45-T47 VanDerWaalsContact OD1-CG2 3.28Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.28Å; D45-T47 PolarHBondContact OD1-N 2.98Å; D45-T47 PolarHBondContact OD1-OG1 3.42Å
46Y83.8Confident84.6Confident6 Ų662.5 Ų62.52%0.02433%0.33CS..  trans-107.410.4178.4-137.2-93.5000111.6I7 F8 Q12 F31 V42 N48 H49 P50 L88I7-Y46 CarbonylContact O-C 3.41Å; I7-Y46 WeakPolarHBondContact O-CA 3.37Å; I7-Y46 WeakPolarHBondContact O-CB 3.43Å; I7-Y46 PolarHBondContact O-N 3.28Å; F8-Y46 HydrophobicContact CD1-CD1 4.33Å; F8-Y46 HydrophobicContact CD1-CG 4.49Å; F8-Y46 AromaticContact CE1-CD1 3.67Å; F8-Y46 HydrophobicContact CE1-CD1 3.67Å; F8-Y46 AromaticContact CE1-CG 3.83Å; F8-Y46 HydrophobicContact CE1-CG 3.83Å; Q12-Y46 PolarHBondContact NE2-O 3.23Å; F31-Y46 AromaticContact CE2-CD2 3.59Å; F31-Y46 HydrophobicContact CE2-CD2 3.59Å; F31-Y46 HydrophobicContact CE2-CE2 4.18Å; F31-Y46 HydrophobicContact CE2-CG 4.07Å; F31-Y46 HydrophobicContact CZ-CD2 4.31Å; V42-Y46 HydrophobicContact CG1-CE2 4.35Å; Y46-N48 PolarHBondContact O-N 2.78Å; Y46-H49 PolarHBondContact O-N 3.16Å; Y46-P50 HydrophobicContact CD2-CG 3.7Å; Y46-P50 HydrophobicContact CE1-CG 4.48Å; Y46-P50 HydrophobicContact CE2-CG 3.64Å; Y46-P50 HydrophobicContact CG-CG 4.19Å; Y46-P50 PolarHBondContact OH-O 2.98Å; Y46-L88 HydrophobicContact CD1-CD2 3.8Å; Y46-L88 HydrophobicContact CE1-CB 4.11Å; Y46-L88 HydrophobicContact CE1-CD2 3.52Å; Y46-L88 HydrophobicContact CE1-CG 4.47Å; Y46-L88 HydrophobicContact CE2-CD2 4.32Å; Y46-L88 HydrophobicContact CG-CD2 4.32Å; Y46-L88 WeakPolarHBondContact OH-CB 3.38Å
47T82.8Confident84.5Confident37 Ų3764.6 Ų64.623%0.22734%0.336CS..THydrogen-bonded Turntrans-62.6-25.8-177.258.60000113.3I7 T9 Q12 D45I7-T47 PolarHBondContact O-N 3.16Å; T9-T47 HydrophobicContact CG2-CG2 3.95Å; Q12-T47 PolarHBondContact NE2-O 3.07Å; D45-T47 VanDerWaalsContact OD1-CB 3.29Å; D45-T47 WeakPolarHBondContact OD1-CB 3.3Å; D45-T47 VanDerWaalsContact OD1-CG2 3.28Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.28Å; D45-T47 PolarHBondContact OD1-N 2.98Å; D45-T47 PolarHBondContact OD1-OG1 3.42Å
48N80.6Confident84.6Confident138 Ų13865 Ų6574%0.73834%0.339SS*.THydrogen-bonded Turntrans-948177.4-64.2-47.2000114Y46Y46-N48 PolarHBondContact O-N 2.78Å
49H76.6Confident84.6Confident91 Ų9165 Ų6542%0.42134%0.339SS..  trans44.965.2-173.2-73-81.1000112.6Q12 Y16 Y46 D51Q12-H49 VanDerWaalsContact CG-NE2 3.31Å; Q12-H49 WeakPolarHBondContact CG-NE2 3.48Å; Q12-H49 PolarHBondContact NE2-CD2 2.77Å; Q12-H49 PolarHBondContact NE2-CE1 3.39Å; Q12-H49 VanDerWaalsContact NE2-CE1 3.28Å; Q12-H49 PolarHBondContact NE2-NE2 3.5Å; Y16-H49 PolarHBondContact OH-CE1 3.09Å; Y46-H49 PolarHBondContact O-N 3.16Å; H49-D51 PolarHBondContact O-N 2.91Å
50P78.8Confident84.6Confident38 Ų3862.3 Ų62.325%0.24732%0.322CS..  trans-62136.1177.130-34.7000109.5P43 Y46 V52P43-P50 HydrophobicContact CG-CB 4.3Å; P43-P50 HydrophobicContact CG-CG 3.67Å; Y46-P50 HydrophobicContact CD2-CG 3.7Å; Y46-P50 HydrophobicContact CE1-CG 4.48Å; Y46-P50 HydrophobicContact CE2-CG 3.64Å; Y46-P50 HydrophobicContact CG-CG 4.19Å; Y46-P50 PolarHBondContact OH-O 2.98Å; P50-V52 HydrophobicContact CB-CG2 3.96Å; P50-V52 HydrophobicContact CG-CG2 4.12Å; P50-V52 PolarHBondContact O-N 3.44Å
51D79Confident84.7Confident140 Ų14058.2 Ų58.275%0.74931%0.31SS*.  trans-74.778.3176.1-174.817.7000109.4H49 K53H49-D51 PolarHBondContact O-N 2.91Å; D51-K53 WeakPolarHBondContact OD1-CE 3.41Å
52V86.4Confident84.7Confident18 Ų1854.3 Ų54.311%0.10929%0.29CS..  trans-105.1126.2177.2-175.90000108.2Y34 L41 V42 P50Y34-V52 PolarHBondContact OH-O 3.23Å; L41-V52 HydrophobicContact CB-CG1 4.17Å; V42-V52 HydrophobicContact CG2-CG1 3.86Å; P50-V52 HydrophobicContact CB-CG2 3.96Å; P50-V52 HydrophobicContact CG-CG2 4.12Å; P50-V52 PolarHBondContact O-N 3.44Å
53K88.1Confident84.5Confident85 Ų8559.3 Ų59.337%0.3732%0.322SS..  trans-117.8128.5175.2-62.3-173.3179.3-163.10109.2D51 M86 T87D51-K53 WeakPolarHBondContact OD1-CE 3.41Å; K53-M86 WeakPolarHBondContact CA-O 3.44Å; K53-T87 HydrophobicContact CD-CG2 4.32Å; K53-T87 HydrophobicContact CG-CG2 3.82Å
54L88.8Confident84.3Confident0 Ų059.2 Ų59.20%032%0.317CS..BIsolated β-bridgetrans-86.1131.5171.6-67.6-174000109.6Y34 L37 A38 V42 L58 I59 N85 M86Y34-L54 HydrophobicContact CD1-CD1 4.18Å; Y34-L54 HydrophobicContact CD2-CD1 3.35Å; Y34-L54 HydrophobicContact CD2-CG 4.09Å; Y34-L54 HydrophobicContact CE1-CD1 4.11Å; Y34-L54 HydrophobicContact CE1-CG 4.01Å; Y34-L54 HydrophobicContact CE2-CB 4.17Å; Y34-L54 HydrophobicContact CE2-CD1 3.29Å; Y34-L54 HydrophobicContact CE2-CG 3.5Å; Y34-L54 VanDerWaalsContact CE2-CG 3.5Å; Y34-L54 HydrophobicContact CG-CD1 3.82Å; Y34-L54 VanDerWaalsContact CZ-CG 3.44Å; Y34-L54 WeakPolarHBondContact O-CD1 3.43Å; Y34-L54 PolarHBondContact OH-N 3.46Å; L37-L54 HydrophobicContact CB-CD1 3.91Å; L37-L54 HydrophobicContact CD1-CD1 3.96Å; A38-L54 HydrophobicContact CB-CD2 3.32Å; V42-L54 HydrophobicContact CG2-CD2 3.9Å; L54-L58 HydrophobicContact CD2-CD1 4.41Å; L54-I59 HydrophobicContact CB-CD1 3.94Å; L54-I59 HydrophobicContact CB-CG1 4.18Å; L54-I59 HydrophobicContact CD1-CD1 3.88Å; L54-N85 CarbonylContact O-C 3.55Å; L54-N85 VanDerWaalsContact O-CA 3.22Å; L54-N85 WeakPolarHBondContact O-CA 3.36Å; L54-M86 PolarHBondContact N-O 3.03Å; L54-M86 PolarHBondContact O-N 3.02Å
55P89.8Confident84.2Confident47 Ų4755.9 Ų55.931%0.30530%0.3SS..  trans-63.8146.7173.726.3-34.8000111.4E57 L58 I59 N85P55-E57 PolarHBondContact O-N 3.32Å; P55-L58 HydrophobicContact CG-CD1 3.84Å; P55-L58 HydrophobicContact CG-CG 4.04Å; P55-L58 PolarHBondContact O-N 3.41Å; P55-I59 PolarHBondContact O-N 3.21Å; P55-N85 WeakPolarHBondContact CA-OD1 3.47Å
56Y88.9Confident83.9Confident51 Ų5158 Ų5820%0.231%0.305CS..Hα-helixtrans-50-35.7176.9166.4-111.3000112.9L58 I59 G60 R71 Q72 A75 G84 N85Y56-L58 PolarHBondContact O-N 2.92Å; Y56-L58 VanDerWaalsContact O-N 3.16Å; Y56-I59 PolarHBondContact O-N 3.39Å; Y56-I59 VanDerWaalsContact O-N 3.12Å; Y56-G60 PolarHBondContact O-N 3.49Å; Y56-R71 PolarHBondContact OH-NE 2.87Å; Y56-Q72 HydrophobicContact CE1-CG 4.4Å; Y56-Q72 HydrophobicContact CE2-CB 4.42Å; Y56-Q72 WeakPolarHBondContact OH-CB 3.17Å; Y56-A75 HydrophobicContact CD2-CB 3.47Å; Y56-A75 VanDerWaalsContact CD2-CB 3.47Å; Y56-A75 HydrophobicContact CE2-CB 3.73Å; Y56-G84 WeakPolarHBondContact CA-O 3.4Å; Y56-G84 WeakPolarHBondContact CB-O 3.3Å; Y56-N85 PolarHBondContact N-OD1 3.23Å
57E87.5Confident83.7Confident162 Ų16264.6 Ų64.676%0.75734%0.341SS*.Hα-helixtrans-54.7-36.9179.8-63.1-173.8167.200113P55 S61P55-E57 PolarHBondContact O-N 3.32Å; E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å
58L88.3Confident83.6Confident46 Ų4665.2 Ų65.224%0.24134%0.343CS..Hα-helixtrans-77.9-44.5177.6-64176.3000111L37 A38 L54 P55 Y56 S61L37-L58 HydrophobicContact CB-CB 4.38Å; A38-L58 HydrophobicContact CB-CD1 3.79Å; L54-L58 HydrophobicContact CD2-CD1 4.41Å; P55-L58 HydrophobicContact CG-CD1 3.84Å; P55-L58 HydrophobicContact CG-CG 4.04Å; P55-L58 PolarHBondContact O-N 3.41Å; Y56-L58 PolarHBondContact O-N 2.92Å; Y56-L58 VanDerWaalsContact O-N 3.16Å; L58-S61 WeakPolarHBondContact O-CB 3.41Å; L58-S61 PolarHBondContact O-N 3.19Å; L58-S61 PolarHBondContact O-OG 3.11Å
59I87.3Confident83.6Confident0 Ų061.3 Ų61.30%033%0.325CS..Hα-helixtrans-60.4-49.4178.3-60.8-57.3000110.9L37 L54 P55 Y56 S61 M62 L65 M86 F91L37-I59 HydrophobicContact CD1-CD1 4.01Å; L54-I59 HydrophobicContact CB-CD1 3.94Å; L54-I59 HydrophobicContact CB-CG1 4.18Å; L54-I59 HydrophobicContact CD1-CD1 3.88Å; P55-I59 PolarHBondContact O-N 3.21Å; Y56-I59 PolarHBondContact O-N 3.39Å; Y56-I59 VanDerWaalsContact O-N 3.12Å; I59-S61 PolarHBondContact O-N 3.3Å; I59-M62 HydrophobicContact CB-CE 4.28Å; I59-M62 HydrophobicContact CD1-CE 4.31Å; I59-M62 HydrophobicContact CG2-CE 3.68Å; I59-M62 VanDerWaalsContact O-CB 3.24Å; I59-M62 WeakPolarHBondContact O-CB 3.24Å; I59-M62 WeakPolarHBondContact O-CE 3.12Å; I59-M62 VanDerWaalsContact O-CG 3.3Å; I59-M62 WeakPolarHBondContact O-CG 3.48Å; I59-M62 PolarHBondContact O-N 2.8Å; I59-M62 VanDerWaalsContact O-N 3.15Å; I59-L65 HydrophobicContact CG2-CD1 3.79Å; I59-M86 HydrophobicContact CD1-CB 4.33Å; I59-M86 HydrophobicContact CD1-SD 4.3Å; I59-M86 HydrophobicContact CG1-CB 4.31Å; I59-M86 HydrophobicContact CG1-CG 4.36Å; I59-M86 HydrophobicContact CG1-SD 4.2Å; I59-M86 HydrophobicContact CG2-CE 4.13Å; I59-M86 HydrophobicContact CG2-SD 3.73Å; I59-F91 HydrophobicContact CD1-CD2 3.81Å; I59-F91 HydrophobicContact CD1-CE2 3.84Å
60G84.1Confident83.9Confident7 Ų757.7 Ų57.77%0.07231%0.308CS..THydrogen-bonded Turntrans-69-15.1178.700000114.2Y56 M62Y56-G60 PolarHBondContact O-N 3.49Å; G60-M62 VanDerWaalsContact C-N 3.31Å
61S85.4Confident84.3Confident66 Ų6660.3 Ų60.346%0.46231%0.313SS..THydrogen-bonded Turntrans-79.1-14.9173.7800000113.5E57 L58 I59E57-S61 WeakPolarHBondContact O-CB 3.35Å; E57-S61 PolarHBondContact O-N 3.22Å; L58-S61 WeakPolarHBondContact O-CB 3.41Å; L58-S61 PolarHBondContact O-N 3.19Å; L58-S61 PolarHBondContact O-OG 3.11Å; I59-S61 PolarHBondContact O-N 3.3Å
62M84.2Confident84.7Confident9 Ų958 Ų584%0.04430%0.298CS..SBendtrans-58.9134.2178.9-72.7-168.3-69.300111.1L37 I59 G60 E64 L65 K66 F91 M94 F95L37-M62 HydrophobicContact CD1-CG 3.93Å; L37-M62 HydrophobicContact CD1-SD 3.68Å; L37-M62 HydrophobicContact CD2-CG 3.79Å; L37-M62 HydrophobicContact CG-CG 4.46Å; I59-M62 HydrophobicContact CB-CE 4.28Å; I59-M62 HydrophobicContact CD1-CE 4.31Å; I59-M62 HydrophobicContact CG2-CE 3.68Å; I59-M62 VanDerWaalsContact O-CB 3.24Å; I59-M62 WeakPolarHBondContact O-CB 3.24Å; I59-M62 WeakPolarHBondContact O-CE 3.12Å; I59-M62 VanDerWaalsContact O-CG 3.3Å; I59-M62 WeakPolarHBondContact O-CG 3.48Å; I59-M62 PolarHBondContact O-N 2.8Å; I59-M62 VanDerWaalsContact O-N 3.15Å; G60-M62 VanDerWaalsContact C-N 3.31Å; M62-E64 PolarHBondContact O-N 3.49Å; M62-L65 HydrophobicContact CE-CD1 3.76Å; M62-L65 HydrophobicContact CE-CG 4.44Å; M62-L65 PolarHBondContact O-N 2.82Å; M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.23Å; M62-K66 PolarHBondContact O-N 3.05Å; M62-F91 HydrophobicContact CE-CD2 4.48Å; M62-F91 HydrophobicContact CE-CE2 3.6Å; M62-F91 HydrophobicContact CE-CZ 4.29Å; M62-F91 HydrophobicContact SD-CE2 3.64Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; M62-M94 HydrophobicContact CE-CE 4.14Å; M62-F95 HydrophobicContact CE-CZ 4.41Å; M62-F95 HydrophobicContact SD-CZ 4.4Å
63P81.3Confident84.7Confident105 Ų10558 Ų5868%0.68230%0.296SS*.Hα-helixtrans-49.7-35.5177.8-26.932.8000114L65P63-L65 VanDerWaalsContact C-N 3.31Å; P63-L65 PolarHBondContact O-N 3.5Å
64E80.1Confident84.7Confident49 Ų4954.1 Ų54.123%0.22928%0.279CS..Hα-helixtrans-65.5-31.9-178.7-61.490.815300113.1R33 M62 I185R33-E64 IonicContact CZ-OE1 3.76Å; R33-E64 IonicContact NH1-OE1 2.85Å; R33-E64 PolarHBondContact NH1-OE1 3.45Å; M62-E64 PolarHBondContact O-N 3.49Å; E64-I185 HydrophobicContact CB-CD1 4.37Å; E64-I185 HydrophobicContact CB-CG2 3.77Å; E64-I185 HydrophobicContact CG-CG2 3.88Å
65L81.2Confident84.7Confident0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-107-25.2-178.5-69.5-179.3000112.6I59 M62 P63 D67 N68 R71 I74 M94 I185I59-L65 HydrophobicContact CG2-CD1 3.79Å; M62-L65 HydrophobicContact CE-CD1 3.76Å; M62-L65 HydrophobicContact CE-CG 4.44Å; M62-L65 PolarHBondContact O-N 2.82Å; P63-L65 VanDerWaalsContact C-N 3.31Å; P63-L65 PolarHBondContact O-N 3.5Å; L65-D67 VanDerWaalsContact C-N 3.29Å; L65-D67 PolarHBondContact O-N 2.82Å; L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.1Å; L65-R71 HydrophobicContact CB-CB 4.02Å; L65-R71 WeakPolarHBondContact O-CB 3.22Å; L65-R71 VanDerWaalsContact O-CD 3.31Å; L65-R71 WeakPolarHBondContact O-CD 3.4Å; L65-I74 HydrophobicContact CD2-CD1 4.17Å; L65-I74 HydrophobicContact CD2-CG2 4.2Å; L65-M94 HydrophobicContact CD1-CE 4.25Å; L65-M94 HydrophobicContact CD1-SD 4.12Å; L65-I185 HydrophobicContact CD2-CD1 3.85Å
66K79.8Confident84.7Confident122 Ų12253.8 Ų53.853%0.5327%0.274SS..Hα-helixtrans-55.7-41.5-170.4-176.1-179.3177.6-176.50113.1M62 N68 R71M62-K66 VanDerWaalsContact O-CB 3.27Å; M62-K66 WeakPolarHBondContact O-CB 3.23Å; M62-K66 PolarHBondContact O-N 3.05Å; K66-N68 VanDerWaalsContact C-N 3.35Å; K66-R71 PolarHBondContact O-NH1 3.3Å
67D78.7Confident84.7Confident146 Ų14653 Ų5378%0.78127%0.274SS*.THydrogen-bonded Turntrans-89-2.8-178.1-64.2-37.6000113.2L65L65-D67 VanDerWaalsContact C-N 3.29Å; L65-D67 PolarHBondContact O-N 2.82Å
68N81.3Confident84.7Confident49 Ų4945.8 Ų45.826%0.26224%0.24SC..  trans-85.5121.4-179.2-167.2-31.6000111L65 K66 F70 R71 I74L65-N68 WeakPolarHBondContact O-CB 3.34Å; L65-N68 PolarHBondContact O-N 3.1Å; K66-N68 VanDerWaalsContact C-N 3.35Å; N68-F70 PolarHBondContact O-N 3.4Å; N68-F70 VanDerWaalsContact O-N 3.16Å; N68-F70 PolarHBondContact OD1-N 3.15Å; N68-R71 HydrophobicContact CB-CB 4.39Å; N68-R71 WeakPolarHBondContact O-CB 3.3Å; N68-R71 WeakPolarHBondContact O-CG 3.35Å; N68-R71 PolarHBondContact O-N 3.19Å; N68-R71 VanDerWaalsContact O-N 3.09Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.42Å
69P80.3Confident84.7Confident57 Ų5744 Ų4437%0.3723%0.231SC..THydrogen-bonded Turntrans-63.6-19.8178.825.7-34.2000113.7K134 L135P69-K134 HydrophobicContact CB-CB 4.36Å; P69-K134 PolarHBondContact O-NZ 3.37Å; P69-L135 HydrophobicContact CG-CD2 4.37Å
70F83.7Confident84.5Confident15 Ų1551.6 Ų51.67%0.06627%0.267CS..THydrogen-bonded Turntrans-97.96.1177.9-59.1-76.6000113.6N68 Q72 R73 I74 I114 T131 K134 L135N68-F70 PolarHBondContact O-N 3.4Å; N68-F70 VanDerWaalsContact O-N 3.16Å; N68-F70 PolarHBondContact OD1-N 3.15Å; F70-Q72 PolarHBondContact O-N 2.99Å; F70-R73 PolarHBondContact O-N 3.29Å; F70-I74 HydrophobicContact CB-CD1 4.24Å; F70-I74 HydrophobicContact CB-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.08Å; F70-I74 PolarHBondContact O-N 2.79Å; F70-I114 HydrophobicContact CB-CG2 4.13Å; F70-I114 HydrophobicContact CD1-CG2 4.38Å; F70-I114 HydrophobicContact CG-CG2 4.41Å; F70-T131 HydrophobicContact CE1-CG2 3.87Å; F70-T131 HydrophobicContact CZ-CG2 3.58Å; F70-K134 HydrophobicContact CD1-CD 4.27Å; F70-K134 HydrophobicContact CE1-CB 4.31Å; F70-K134 HydrophobicContact CE1-CD 4.15Å; F70-K134 HydrophobicContact CZ-CB 4.41Å; F70-L135 HydrophobicContact CE2-CD1 4.39Å; F70-L135 HydrophobicContact CE2-CD2 3.65Å; F70-L135 HydrophobicContact CE2-CG 3.84Å; F70-L135 HydrophobicContact CZ-CD1 4.23Å; F70-L135 HydrophobicContact CZ-CD2 4.17Å; F70-L135 HydrophobicContact CZ-CG 3.81Å
71R86.9Confident84.3Confident93 Ų9354.1 Ų54.135%0.35128%0.279SS..Hα-helixtrans-50.4-36.1-176.367.6178.5-167.3-144.40.9114.8Y56 L65 K66 N68 A75Y56-R71 PolarHBondContact OH-NE 2.87Å; L65-R71 HydrophobicContact CB-CB 4.02Å; L65-R71 WeakPolarHBondContact O-CB 3.22Å; L65-R71 VanDerWaalsContact O-CD 3.31Å; L65-R71 WeakPolarHBondContact O-CD 3.4Å; K66-R71 PolarHBondContact O-NH1 3.3Å; N68-R71 HydrophobicContact CB-CB 4.39Å; N68-R71 WeakPolarHBondContact O-CB 3.3Å; N68-R71 WeakPolarHBondContact O-CG 3.35Å; N68-R71 PolarHBondContact O-N 3.19Å; N68-R71 VanDerWaalsContact O-N 3.09Å; R71-A75 WeakPolarHBondContact O-CB 3.29Å; R71-A75 PolarHBondContact O-N 2.83Å
72Q86.5Confident84.1Confident90 Ų9053.1 Ų53.142%0.42128%0.279SS..Hα-helixtrans-69.8-48.3178.4-170.7-178.9-15.200111Y56 F70 I74 A75 E76Y56-Q72 HydrophobicContact CE1-CG 4.4Å; Y56-Q72 HydrophobicContact CE2-CB 4.42Å; Y56-Q72 WeakPolarHBondContact OH-CB 3.17Å; F70-Q72 PolarHBondContact O-N 2.99Å; Q72-I74 VanDerWaalsContact C-N 3.35Å; Q72-I74 PolarHBondContact O-N 2.73Å; Q72-A75 PolarHBondContact O-N 3.41Å; Q72-A75 VanDerWaalsContact O-N 3.1Å; Q72-E76 HydrophobicContact CG-CG 4.47Å; Q72-E76 VanDerWaalsContact CG-OE1 3.26Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.01Å; Q72-E76 PolarHBondContact NE2-OE1 2.94Å; Q72-E76 VanDerWaalsContact O-CG 3.28Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 2.93Å
73R86.8Confident84.1Confident18 Ų1859.4 Ų59.47%0.06831%0.308CS..Hα-helixtrans-63.7-40.8176.5-73.6-59-65.6161.8-5111.9F70 A75 E76 V77 K113 I114 D116 F117 D119F70-R73 PolarHBondContact O-N 3.29Å; R73-A75 VanDerWaalsContact C-N 3.25Å; R73-A75 PolarHBondContact O-N 3.24Å; R73-E76 VanDerWaalsContact CD-OE2 3.32Å; R73-E76 WeakPolarHBondContact CD-OE2 3.49Å; R73-E76 IonicContact CZ-OE2 3.99Å; R73-E76 IonicContact NE-OE2 3.55Å; R73-E76 IonicContact NH1-OE2 2.59Å; R73-E76 PolarHBondContact NH1-OE2 3.26Å; R73-E76 PolarHBondContact O-N 3.1Å; R73-V77 WeakPolarHBondContact O-CB 3.38Å; R73-V77 WeakPolarHBondContact O-CG2 3.49Å; R73-V77 PolarHBondContact O-N 3.45Å; R73-K113 PolarHBondContact NH2-O 3.41Å; R73-I114 HydrophobicContact CB-CG2 4.01Å; R73-D116 PolarHBondContact NH2-O 3.47Å; R73-F117 HydrophobicContact CG-CD1 4.21Å; R73-F117 HydrophobicContact CG-CE1 3.6Å; R73-F117 HydrophobicContact CG-CZ 3.94Å; R73-D119 IonicContact NH2-OD1 3.08Å; R73-D119 PolarHBondContact NH2-OD1 2.96Å; R73-D119 IonicContact NH2-OD2 3.2Å
74I87.9Confident84.2Confident4 Ų454.4 Ų54.42%0.02128%0.275CS..Hα-helixtrans-55.3-49.3172.6-65.4166.2000108.5L65 N68 F70 Q72 E76 V77 F78 M94 L98 I114L65-I74 HydrophobicContact CD2-CD1 4.17Å; L65-I74 HydrophobicContact CD2-CG2 4.2Å; N68-I74 WeakPolarHBondContact ND2-CD1 3.42Å; F70-I74 HydrophobicContact CB-CD1 4.24Å; F70-I74 HydrophobicContact CB-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.08Å; F70-I74 PolarHBondContact O-N 2.79Å; Q72-I74 VanDerWaalsContact C-N 3.35Å; Q72-I74 PolarHBondContact O-N 2.73Å; I74-E76 PolarHBondContact O-N 3.38Å; I74-V77 PolarHBondContact O-N 3.2Å; I74-F78 HydrophobicContact CG2-CD2 3.89Å; I74-F78 HydrophobicContact CG2-CE2 4.1Å; I74-F78 VanDerWaalsContact O-CD2 3.22Å; I74-F78 WeakPolarHBondContact O-CD2 3.3Å; I74-F78 PolarHBondContact O-N 3.31Å; I74-F78 VanDerWaalsContact O-N 3.16Å; I74-M94 HydrophobicContact CG2-CG 4.26Å; I74-M94 HydrophobicContact CG2-SD 3.88Å; I74-L98 HydrophobicContact CG2-CD1 4.5Å; I74-I114 HydrophobicContact CB-CD1 4.46Å; I74-I114 HydrophobicContact CG1-CD1 3.73Å; I74-I114 HydrophobicContact CG1-CG1 4.27Å; I74-I114 HydrophobicContact CG1-CG2 4.49Å
75A89.1Confident84.6Confident0 Ų053.8 Ų53.80%027%0.274CS..Hα-helixtrans-62.8-45.7-179.600000113.3Y56 R71 Q72 R73 V77 F78 S79 M86Y56-A75 HydrophobicContact CD2-CB 3.47Å; Y56-A75 VanDerWaalsContact CD2-CB 3.47Å; Y56-A75 HydrophobicContact CE2-CB 3.73Å; R71-A75 WeakPolarHBondContact O-CB 3.29Å; R71-A75 PolarHBondContact O-N 2.83Å; Q72-A75 PolarHBondContact O-N 3.41Å; Q72-A75 VanDerWaalsContact O-N 3.1Å; R73-A75 VanDerWaalsContact C-N 3.25Å; R73-A75 PolarHBondContact O-N 3.24Å; A75-V77 PolarHBondContact O-N 3.09Å; A75-F78 PolarHBondContact O-N 3.45Å; A75-S79 VanDerWaalsContact O-CB 3.28Å; A75-S79 WeakPolarHBondContact O-CB 3.3Å; A75-S79 PolarHBondContact O-N 3.46Å; A75-S79 PolarHBondContact O-OG 2.86Å; A75-S79 VanDerWaalsContact O-OG 3.09Å; A75-M86 HydrophobicContact CB-CE 3.84Å; A75-M86 WeakPolarHBondContact O-CE 3.36Å
76E88.8Confident85Confident41 Ų4153.8 Ų53.819%0.19227%0.274CS..Hα-helixtrans-61.2-40.9178.7-70.1168.6-174.900112.4Q72 R73 I74 S79Q72-E76 HydrophobicContact CG-CG 4.47Å; Q72-E76 VanDerWaalsContact CG-OE1 3.26Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.01Å; Q72-E76 PolarHBondContact NE2-OE1 2.94Å; Q72-E76 VanDerWaalsContact O-CG 3.28Å; Q72-E76 WeakPolarHBondContact O-CG 3.46Å; Q72-E76 PolarHBondContact O-N 2.93Å; R73-E76 VanDerWaalsContact CD-OE2 3.32Å; R73-E76 WeakPolarHBondContact CD-OE2 3.49Å; R73-E76 IonicContact CZ-OE2 3.99Å; R73-E76 IonicContact NE-OE2 3.55Å; R73-E76 IonicContact NH1-OE2 2.59Å; R73-E76 PolarHBondContact NH1-OE2 3.26Å; R73-E76 PolarHBondContact O-N 3.1Å; I74-E76 PolarHBondContact O-N 3.38Å; E76-S79 WeakPolarHBondContact CA-OG 3.39Å; E76-S79 PolarHBondContact O-N 3.15Å; E76-S79 PolarHBondContact O-OG 3.26Å
77V88.9Confident85.5Confident33 Ų3348.8 Ų48.820%0.225%0.253CS..Hα-helixtrans-70.6-34.7-179168.10000112.4R73 I74 A75 Y110 K113 I114R73-V77 WeakPolarHBondContact O-CB 3.38Å; R73-V77 WeakPolarHBondContact O-CG2 3.49Å; R73-V77 PolarHBondContact O-N 3.45Å; I74-V77 PolarHBondContact O-N 3.2Å; A75-V77 PolarHBondContact O-N 3.09Å; V77-Y110 HydrophobicContact CG1-CD1 3.78Å; V77-Y110 HydrophobicContact CG1-CE1 4.22Å; V77-K113 HydrophobicContact CG1-CB 3.7Å; V77-K113 HydrophobicContact CG2-CB 4.15Å; V77-K113 WeakPolarHBondContact CG2-O 3.39Å; V77-I114 HydrophobicContact CB-CG1 4.15Å; V77-I114 HydrophobicContact CG1-CG1 4.31Å; V77-I114 HydrophobicContact CG2-CG1 3.92Å
78F87.9Confident86Confident11 Ų1141.8 Ų41.85%0.04822%0.216CC..Hα-helixtrans-87.1-19.2177.8-77-75.1000113.1I74 A75 M86 D90 M94 V97 Y110I74-F78 HydrophobicContact CG2-CD2 3.89Å; I74-F78 HydrophobicContact CG2-CE2 4.1Å; I74-F78 VanDerWaalsContact O-CD2 3.22Å; I74-F78 WeakPolarHBondContact O-CD2 3.3Å; I74-F78 PolarHBondContact O-N 3.31Å; I74-F78 VanDerWaalsContact O-N 3.16Å; A75-F78 PolarHBondContact O-N 3.45Å; F78-M86 HydrophobicContact CB-CE 3.8Å; F78-D90 WeakPolarHBondContact O-CB 3.44Å; F78-M94 HydrophobicContact CB-CB 4.11Å; F78-M94 HydrophobicContact CB-CG 4.5Å; F78-M94 VanDerWaalsContact CD1-CA 3.48Å; F78-M94 HydrophobicContact CD1-CB 3.8Å; F78-M94 HydrophobicContact CD1-CG 4.42Å; F78-M94 HydrophobicContact CD2-CB 3.9Å; F78-M94 HydrophobicContact CD2-CG 3.62Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 VanDerWaalsContact CE1-CA 3.44Å; F78-M94 HydrophobicContact CE1-CB 4.19Å; F78-M94 HydrophobicContact CE2-CB 4.3Å; F78-M94 HydrophobicContact CE2-CG 3.9Å; F78-M94 HydrophobicContact CG-CB 3.66Å; F78-M94 HydrophobicContact CG-CG 3.93Å; F78-M94 HydrophobicContact CZ-CB 4.44Å; F78-M94 HydrophobicContact CZ-CG 4.4Å; F78-V97 HydrophobicContact CE1-CB 4Å; F78-V97 HydrophobicContact CE1-CG2 3.84Å; F78-V97 HydrophobicContact CZ-CB 3.78Å; F78-V97 HydrophobicContact CZ-CG1 3.93Å; F78-V97 HydrophobicContact CZ-CG2 4.09Å; F78-Y110 HydrophobicContact CD1-CD1 4.15Å; F78-Y110 AromaticContact CD1-CE1 3.65Å; F78-Y110 HydrophobicContact CD1-CE1 3.65Å; F78-Y110 AromaticContact CE1-CD1 3.44Å; F78-Y110 HydrophobicContact CE1-CD1 3.44Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.44Å; F78-Y110 AromaticContact CE1-CE1 3.19Å; F78-Y110 HydrophobicContact CE1-CE1 3.19Å; F78-Y110 HydrophobicContact CE1-CE2 4.33Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.69Å; F78-Y110 AromaticContact CE2-CD1 3.98Å; F78-Y110 HydrophobicContact CE2-CD1 3.98Å; F78-Y110 HydrophobicContact CE2-CE1 4.46Å; F78-Y110 HydrophobicContact CG-CE1 4.44Å; F78-Y110 AromaticContact CZ-CD1 3.33Å; F78-Y110 HydrophobicContact CZ-CD1 3.33Å; F78-Y110 HydrophobicContact CZ-CD2 4.49Å; F78-Y110 AromaticContact CZ-CE1 3.66Å; F78-Y110 HydrophobicContact CZ-CE1 3.66Å; F78-Y110 AromaticContact CZ-CG 3.79Å; F78-Y110 HydrophobicContact CZ-CG 3.79Å
79S89.1Confident86.3Confident9 Ų942.6 Ų42.66%0.06322%0.22CC..  trans-78.4130.3174.760.80000111.4A75 E76 D81 G82 G84 N85A75-S79 VanDerWaalsContact O-CB 3.28Å; A75-S79 WeakPolarHBondContact O-CB 3.3Å; A75-S79 PolarHBondContact O-N 3.46Å; A75-S79 PolarHBondContact O-OG 2.86Å; A75-S79 VanDerWaalsContact O-OG 3.09Å; E76-S79 WeakPolarHBondContact CA-OG 3.39Å; E76-S79 PolarHBondContact O-N 3.15Å; E76-S79 PolarHBondContact O-OG 3.26Å; S79-D81 WeakPolarHBondContact CB-OD1 3.41Å; S79-D81 PolarHBondContact O-N 2.75Å; S79-D81 PolarHBondContact OG-OD1 3.48Å; S79-G82 PolarHBondContact O-N 2.59Å; S79-G82 WeakPolarHBondContact OG-CA 3.11Å; S79-G82 PolarHBondContact OG-N 2.96Å; S79-G84 WeakPolarHBondContact OG-CA 3.41Å; S79-G84 PolarHBondContact OG-N 3.28Å; S79-N85 WeakPolarHBondContact CB-O 3.32Å
80E81.9Confident86.7Confident160 Ų16040.4 Ų40.475%0.74821%0.205SC*.THydrogen-bonded Turntrans-61.9-26.9173.3-67.9-172.215200113.4
81D81.7Confident87Confident60 Ų6039.7 Ų39.732%0.32120%0.202SC..THydrogen-bonded Turntrans-88-9.1-178.266.26.2000114S79 E83 N85S79-D81 WeakPolarHBondContact CB-OD1 3.41Å; S79-D81 PolarHBondContact O-N 2.75Å; S79-D81 PolarHBondContact OG-OD1 3.48Å; D81-E83 PolarHBondContact O-N 3.22Å; D81-E83 PolarHBondContact OD1-N 3.46Å; D81-N85 WeakPolarHBondContact OD2-CB 3.37Å; D81-N85 PolarHBondContact OD2-ND2 2.95Å
82G80.9Confident87Confident44 Ų4435.3 Ų35.345%0.45419%0.186SC..SBendtrans66.67.3-175.900000114.4S79S79-G82 PolarHBondContact O-N 2.59Å; S79-G82 WeakPolarHBondContact OG-CA 3.11Å; S79-G82 PolarHBondContact OG-N 2.96Å
83E82.6Confident87.1Confident141 Ų14134 Ų3466%0.65918%0.182SC*.SBendtrans-99.1-3177.7-63-167.8162.200112D81 N85D81-E83 PolarHBondContact O-N 3.22Å; D81-E83 PolarHBondContact OD1-N 3.46Å; E83-N85 VanDerWaalsContact C-N 3.34Å
84G83.4Confident87.1Confident0 Ų033.2 Ų33.20%018%0.179CC..SBendtrans82.69.4-177.700000113.9Y56 S79Y56-G84 WeakPolarHBondContact CA-O 3.4Å; Y56-G84 WeakPolarHBondContact CB-O 3.3Å; S79-G84 WeakPolarHBondContact OG-CA 3.41Å; S79-G84 PolarHBondContact OG-N 3.28Å
85N89.2Confident87Confident37 Ų3733 Ų3320%0.19818%0.178CC..  trans-81.3130172-48.4-57.8000109.1L54 P55 Y56 S79 D81 E83L54-N85 CarbonylContact O-C 3.55Å; L54-N85 VanDerWaalsContact O-CA 3.22Å; L54-N85 WeakPolarHBondContact O-CA 3.36Å; P55-N85 WeakPolarHBondContact CA-OD1 3.47Å; Y56-N85 PolarHBondContact N-OD1 3.23Å; S79-N85 WeakPolarHBondContact CB-O 3.32Å; D81-N85 WeakPolarHBondContact OD2-CB 3.37Å; D81-N85 PolarHBondContact OD2-ND2 2.95Å; E83-N85 VanDerWaalsContact C-N 3.34Å
86M89.8Confident86.9Confident0 Ų033.2 Ų33.20%018%0.179CC..BIsolated β-bridgetrans-115.9130.2-171.7-69.1-175.4176.500112.1Y34 K53 L54 I59 A75 F78 D90 F91 M94Y34-M86 PolarHBondContact OH-O 3.43Å; K53-M86 WeakPolarHBondContact CA-O 3.44Å; L54-M86 PolarHBondContact N-O 3.03Å; L54-M86 PolarHBondContact O-N 3.02Å; I59-M86 HydrophobicContact CD1-CB 4.33Å; I59-M86 HydrophobicContact CD1-SD 4.3Å; I59-M86 HydrophobicContact CG1-CB 4.31Å; I59-M86 HydrophobicContact CG1-CG 4.36Å; I59-M86 HydrophobicContact CG1-SD 4.2Å; I59-M86 HydrophobicContact CG2-CE 4.13Å; I59-M86 HydrophobicContact CG2-SD 3.73Å; A75-M86 HydrophobicContact CB-CE 3.84Å; A75-M86 WeakPolarHBondContact O-CE 3.36Å; F78-M86 HydrophobicContact CB-CE 3.8Å; M86-D90 HydrophobicContact CB-CB 4.03Å; M86-D90 HydrophobicContact CG-CB 4.15Å; M86-F91 HydrophobicContact SD-CD2 4.44Å; M86-M94 HydrophobicContact CE-SD 3.77Å; M86-M94 HydrophobicContact SD-CE 4.22Å; M86-M94 HydrophobicContact SD-SD 4.1Å
87T90.8Very high86.6Confident16 Ų1631.5 Ų31.510%0.09817%0.172CC..  trans-71170.8160.565.70000110.5Y34 K53 D89 D90 F91Y34-T87 VanDerWaalsContact OH-C 3.32Å; Y34-T87 WeakPolarHBondContact OH-CA 3.22Å; K53-T87 HydrophobicContact CD-CG2 4.32Å; K53-T87 HydrophobicContact CG-CG2 3.82Å; T87-D89 PolarHBondContact O-N 3.33Å; T87-D89 PolarHBondContact OG1-N 3.38Å; T87-D90 WeakPolarHBondContact CB-OD2 3.41Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 PolarHBondContact OG1-N 2.94Å; T87-D90 VanDerWaalsContact OG1-N 3.14Å; T87-D90 PolarHBondContact OG1-OD1 3.19Å; T87-D90 PolarHBondContact OG1-OD2 3.26Å; T87-F91 WeakPolarHBondContact O-CB 3.33Å; T87-F91 PolarHBondContact O-N 3.4Å
88L88.3Confident86.1Confident0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-59.4-36.3170.817866.7000111.3F8 F31 Y34 Y46 F91 L92F8-L88 HydrophobicContact CE1-CD2 3.65Å; F8-L88 HydrophobicContact CZ-CD2 3.64Å; F31-L88 HydrophobicContact CB-CD1 4.4Å; F31-L88 HydrophobicContact CD2-CD1 4.01Å; F31-L88 HydrophobicContact CD2-CD2 3.9Å; Y34-L88 HydrophobicContact CD1-CB 4.45Å; Y34-L88 HydrophobicContact CD1-CD1 4.02Å; Y34-L88 HydrophobicContact CD2-CD1 4.49Å; Y34-L88 HydrophobicContact CE1-CB 4.18Å; Y34-L88 HydrophobicContact CG-CD1 3.99Å; Y34-L88 PolarHBondContact OH-N 3.03Å; Y46-L88 HydrophobicContact CD1-CD2 3.8Å; Y46-L88 HydrophobicContact CE1-CB 4.11Å; Y46-L88 HydrophobicContact CE1-CD2 3.52Å; Y46-L88 HydrophobicContact CE1-CG 4.47Å; Y46-L88 HydrophobicContact CE2-CD2 4.32Å; Y46-L88 HydrophobicContact CG-CD2 4.32Å; Y46-L88 WeakPolarHBondContact OH-CB 3.38Å; L88-F91 WeakPolarHBondContact O-CB 3.33Å; L88-F91 PolarHBondContact O-N 3.4Å; L88-L92 HydrophobicContact CD1-CD1 4.49Å; L88-L92 HydrophobicContact CD1-CG 4.34Å; L88-L92 HydrophobicContact CG-CD1 4.16Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.29Å
89D88.2Confident85.7Confident65 Ų6530.5 Ų30.535%0.34817%0.167SC..Hα-helixtrans-67.7-48.1-177.6-58.3-25000109.7Y16 T87 F91 L92 D93Y16-D89 WeakPolarHBondContact CE1-OD1 3.4Å; Y16-D89 PolarHBondContact OH-OD1 2.77Å; T87-D89 PolarHBondContact O-N 3.33Å; T87-D89 PolarHBondContact OG1-N 3.38Å; D89-F91 VanDerWaalsContact C-N 3.26Å; D89-F91 PolarHBondContact O-N 2.9Å; D89-L92 PolarHBondContact O-N 2.97Å; D89-L92 VanDerWaalsContact O-N 3.14Å; D89-D93 PolarHBondContact O-N 2.86Å
90D89.2Confident85Confident11 Ų1136.3 Ų36.36%0.05919%0.193CC..Hα-helixtrans-56.7-40.6173.3-56.6-31.7000112F78 M86 T87 D93 M94F78-D90 WeakPolarHBondContact O-CB 3.44Å; M86-D90 HydrophobicContact CB-CB 4.03Å; M86-D90 HydrophobicContact CG-CB 4.15Å; T87-D90 WeakPolarHBondContact CB-OD2 3.41Å; T87-D90 PolarHBondContact N-OD2 3.36Å; T87-D90 PolarHBondContact OG1-N 2.94Å; T87-D90 VanDerWaalsContact OG1-N 3.14Å; T87-D90 PolarHBondContact OG1-OD1 3.19Å; T87-D90 PolarHBondContact OG1-OD2 3.26Å; D90-D93 PolarHBondContact O-N 3.1Å; D90-M94 WeakPolarHBondContact O-CB 3.42Å; D90-M94 PolarHBondContact O-N 2.65Å
91F88.3Confident84.7Confident0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-66-44.9179-168.8-96.7000111.3L30 Y34 L37 I59 M62 M86 T87 L88 D89 M94 F95L30-F91 HydrophobicContact CB-CE1 4.39Å; L30-F91 HydrophobicContact CD2-CE1 4.29Å; Y34-F91 HydrophobicContact CD2-CB 3.78Å; Y34-F91 AromaticContact CD2-CD1 3.98Å; Y34-F91 HydrophobicContact CD2-CD1 3.98Å; Y34-F91 AromaticContact CD2-CD2 3.73Å; Y34-F91 HydrophobicContact CD2-CD2 3.73Å; Y34-F91 HydrophobicContact CD2-CE1 4.42Å; Y34-F91 HydrophobicContact CD2-CE2 4.16Å; Y34-F91 AromaticContact CD2-CG 3.59Å; Y34-F91 HydrophobicContact CD2-CG 3.59Å; Y34-F91 HydrophobicContact CD2-CZ 4.48Å; Y34-F91 HydrophobicContact CE2-CB 3.99Å; Y34-F91 HydrophobicContact CE2-CD2 4.31Å; Y34-F91 HydrophobicContact CE2-CG 4.24Å; L37-F91 HydrophobicContact CD1-CE2 4.09Å; L37-F91 HydrophobicContact CD1-CZ 4.37Å; I59-F91 HydrophobicContact CD1-CD2 3.81Å; I59-F91 HydrophobicContact CD1-CE2 3.84Å; M62-F91 HydrophobicContact CE-CD2 4.48Å; M62-F91 HydrophobicContact CE-CE2 3.6Å; M62-F91 HydrophobicContact CE-CZ 4.29Å; M62-F91 HydrophobicContact SD-CE2 3.64Å; M62-F91 HydrophobicContact SD-CZ 3.81Å; M86-F91 HydrophobicContact SD-CD2 4.44Å; T87-F91 WeakPolarHBondContact O-CB 3.33Å; T87-F91 PolarHBondContact O-N 3.4Å; L88-F91 WeakPolarHBondContact O-CB 3.33Å; L88-F91 PolarHBondContact O-N 3.4Å; D89-F91 VanDerWaalsContact C-N 3.26Å; D89-F91 PolarHBondContact O-N 2.9Å; F91-M94 HydrophobicContact CD2-CE 4.24Å; F91-M94 HydrophobicContact CE2-CE 4.47Å; F91-F95 AromaticContact CD1-CD2 3.83Å; F91-F95 HydrophobicContact CD1-CD2 3.83Å; F91-F95 AromaticContact CD1-CE2 3.91Å; F91-F95 HydrophobicContact CD1-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 4.08Å; F91-F95 AromaticContact CE1-CD2 3.72Å; F91-F95 HydrophobicContact CE1-CD2 3.72Å; F91-F95 AromaticContact CE1-CE2 3.43Å; F91-F95 HydrophobicContact CE1-CE2 3.43Å; F91-F95 VanDerWaalsContact CE1-CE2 3.43Å; F91-F95 HydrophobicContact CE2-CD2 4.46Å; F91-F95 AromaticContact CE2-CE2 3.66Å; F91-F95 HydrophobicContact CE2-CE2 3.66Å; F91-F95 HydrophobicContact CG-CD2 4.26Å; F91-F95 HydrophobicContact CG-CE2 4.23Å; F91-F95 HydrophobicContact CZ-CD2 4.08Å; F91-F95 AromaticContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CZ 4.17Å; F91-F95 VanDerWaalsContact O-CD2 3.23Å; F91-F95 WeakPolarHBondContact O-CD2 3.4Å; F91-F95 PolarHBondContact O-N 3.47Å; F91-F95 VanDerWaalsContact O-N 3.14Å
92L88.4Confident84.6Confident1 Ų132.6 Ų32.61%0.00518%0.177CC..Hα-helixtrans-63.9-41.7175.9-70.9175.3000111.2Y16 T20 I27 L30 L88 D89 F95 S96Y16-L92 HydrophobicContact CD1-CD1 3.6Å; Y16-L92 HydrophobicContact CD2-CD1 4.44Å; Y16-L92 HydrophobicContact CE1-CD1 3.73Å; Y16-L92 HydrophobicContact CG-CD1 4Å; T20-L92 HydrophobicContact CG2-CB 4.35Å; I27-L92 HydrophobicContact CG2-CD1 4.28Å; I27-L92 HydrophobicContact CG2-CD2 4.43Å; L30-L92 HydrophobicContact CB-CD2 3.72Å; L30-L92 HydrophobicContact CD1-CD2 3.66Å; L30-L92 HydrophobicContact CG-CD2 4.34Å; L88-L92 HydrophobicContact CD1-CD1 4.49Å; L88-L92 HydrophobicContact CD1-CG 4.34Å; L88-L92 HydrophobicContact CG-CD1 4.16Å; L88-L92 HydrophobicContact CG-CG 4.4Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.23Å; L88-L92 PolarHBondContact O-N 3.29Å; D89-L92 PolarHBondContact O-N 2.97Å; D89-L92 VanDerWaalsContact O-N 3.14Å; L92-F95 PolarHBondContact O-N 3.49Å; L92-S96 WeakPolarHBondContact O-CB 3.46Å; L92-S96 PolarHBondContact O-N 3.14Å
93D87.3Confident84.7Confident64 Ų6433 Ų3334%0.34217%0.172SC..Hα-helixtrans-65.1-43.7177.9-79.6-8.5000112D89 D90 F95 S96 V97D89-D93 PolarHBondContact O-N 2.86Å; D90-D93 PolarHBondContact O-N 3.1Å; D93-F95 PolarHBondContact O-N 3.37Å; D93-S96 WeakPolarHBondContact O-CB 3.2Å; D93-S96 PolarHBondContact O-N 2.92Å; D93-S96 VanDerWaalsContact O-N 3.14Å; D93-V97 WeakPolarHBondContact O-CG2 3.5Å; D93-V97 PolarHBondContact O-N 3.38Å
94M87.6Confident84.6Confident0 Ų034.2 Ų34.20%017%0.17CC..Hα-helixtrans-54.7-52.7173.9-178.9-175.166.100111.4M62 L65 I74 F78 M86 D90 F91 S96 V97 L98M62-M94 HydrophobicContact CE-CE 4.14Å; L65-M94 HydrophobicContact CD1-CE 4.25Å; L65-M94 HydrophobicContact CD1-SD 4.12Å; I74-M94 HydrophobicContact CG2-CG 4.26Å; I74-M94 HydrophobicContact CG2-SD 3.88Å; F78-M94 HydrophobicContact CB-CB 4.11Å; F78-M94 HydrophobicContact CB-CG 4.5Å; F78-M94 VanDerWaalsContact CD1-CA 3.48Å; F78-M94 HydrophobicContact CD1-CB 3.8Å; F78-M94 HydrophobicContact CD1-CG 4.42Å; F78-M94 HydrophobicContact CD2-CB 3.9Å; F78-M94 HydrophobicContact CD2-CG 3.62Å; F78-M94 HydrophobicContact CD2-SD 4.44Å; F78-M94 VanDerWaalsContact CE1-CA 3.44Å; F78-M94 HydrophobicContact CE1-CB 4.19Å; F78-M94 HydrophobicContact CE2-CB 4.3Å; F78-M94 HydrophobicContact CE2-CG 3.9Å; F78-M94 HydrophobicContact CG-CB 3.66Å; F78-M94 HydrophobicContact CG-CG 3.93Å; F78-M94 HydrophobicContact CZ-CB 4.44Å; F78-M94 HydrophobicContact CZ-CG 4.4Å; M86-M94 HydrophobicContact CE-SD 3.77Å; M86-M94 HydrophobicContact SD-CE 4.22Å; M86-M94 HydrophobicContact SD-SD 4.1Å; D90-M94 WeakPolarHBondContact O-CB 3.42Å; D90-M94 PolarHBondContact O-N 2.65Å; F91-M94 HydrophobicContact CD2-CE 4.24Å; F91-M94 HydrophobicContact CE2-CE 4.47Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 3.24Å; M94-V97 PolarHBondContact O-N 3.03Å; M94-L98 HydrophobicContact CG-CD1 3.75Å; M94-L98 WeakPolarHBondContact O-CB 3.39Å; M94-L98 WeakPolarHBondContact O-CD1 3.22Å; M94-L98 WeakPolarHBondContact O-CG 3.4Å; M94-L98 PolarHBondContact O-N 2.95Å
95F85.6Confident84.6Confident1 Ų139 Ų390%0.00420%0.195CC..Hα-helixtrans-67.9-33.1178.8-79.7-70.6000112.1F22 L30 M62 F91 L92 D93 L98 S99 I185 I187F22-F95 HydrophobicContact CE2-CB 3.87Å; F22-F95 HydrophobicContact CZ-CB 3.77Å; F22-F95 WeakPolarHBondContact CZ-O 3.33Å; L30-F95 HydrophobicContact CD1-CB 4.03Å; L30-F95 HydrophobicContact CD2-CB 4.21Å; L30-F95 HydrophobicContact CD2-CD1 4.34Å; L30-F95 HydrophobicContact CD2-CD2 3.8Å; L30-F95 HydrophobicContact CD2-CE2 4.29Å; L30-F95 HydrophobicContact CD2-CG 3.85Å; M62-F95 HydrophobicContact CE-CZ 4.41Å; M62-F95 HydrophobicContact SD-CZ 4.4Å; F91-F95 AromaticContact CD1-CD2 3.83Å; F91-F95 HydrophobicContact CD1-CD2 3.83Å; F91-F95 AromaticContact CD1-CE2 3.91Å; F91-F95 HydrophobicContact CD1-CE2 3.91Å; F91-F95 HydrophobicContact CD2-CE2 4.08Å; F91-F95 AromaticContact CE1-CD2 3.72Å; F91-F95 HydrophobicContact CE1-CD2 3.72Å; F91-F95 AromaticContact CE1-CE2 3.43Å; F91-F95 HydrophobicContact CE1-CE2 3.43Å; F91-F95 VanDerWaalsContact CE1-CE2 3.43Å; F91-F95 HydrophobicContact CE2-CD2 4.46Å; F91-F95 AromaticContact CE2-CE2 3.66Å; F91-F95 HydrophobicContact CE2-CE2 3.66Å; F91-F95 HydrophobicContact CG-CD2 4.26Å; F91-F95 HydrophobicContact CG-CE2 4.23Å; F91-F95 HydrophobicContact CZ-CD2 4.08Å; F91-F95 AromaticContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CE2 3.32Å; F91-F95 HydrophobicContact CZ-CZ 4.17Å; F91-F95 VanDerWaalsContact O-CD2 3.23Å; F91-F95 WeakPolarHBondContact O-CD2 3.4Å; F91-F95 PolarHBondContact O-N 3.47Å; F91-F95 VanDerWaalsContact O-N 3.14Å; L92-F95 PolarHBondContact O-N 3.49Å; D93-F95 PolarHBondContact O-N 3.37Å; F95-L98 PolarHBondContact O-N 2.98Å; F95-S99 WeakPolarHBondContact O-CB 3.22Å; F95-S99 PolarHBondContact O-N 3.02Å; F95-I185 HydrophobicContact CE1-CG2 4.3Å; F95-I187 HydrophobicContact CB-CD1 3.84Å; F95-I187 HydrophobicContact CD1-CD1 3.31Å; F95-I187 HydrophobicContact CD1-CG1 3.59Å; F95-I187 HydrophobicContact CE1-CD1 4.16Å; F95-I187 HydrophobicContact CE1-CG1 3.96Å; F95-I187 HydrophobicContact CG-CD1 3.9Å
96S86.1Confident84.4Confident4 Ų439.8 Ų39.83%0.02820%0.199CC..Hα-helixtrans-62.4-46.5178.1-1770000110.5Y21 F22 L92 D93 M94 S99 A102Y21-S96 WeakPolarHBondContact CD2-OG 3.48Å; Y21-S96 PolarHBondContact N-OG 2.91Å; F22-S96 VanDerWaalsContact CE2-CA 3.48Å; F22-S96 VanDerWaalsContact CE2-N 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.46Å; L92-S96 PolarHBondContact O-N 3.14Å; D93-S96 WeakPolarHBondContact O-CB 3.2Å; D93-S96 PolarHBondContact O-N 2.92Å; D93-S96 VanDerWaalsContact O-N 3.14Å; M94-S96 VanDerWaalsContact C-N 3.3Å; M94-S96 PolarHBondContact O-N 3.24Å; S96-S99 VanDerWaalsContact O-CB 3.22Å; S96-S99 WeakPolarHBondContact O-CB 3.38Å; S96-S99 PolarHBondContact O-N 3.04Å; S96-A102 WeakPolarHBondContact O-CB 3.46Å
97V84.1Confident84.1Confident5 Ų540.5 Ų40.53%0.0320%0.203CC..Hα-helixtrans-68.3-38.8177.1174.30000111.9F78 D93 M94 S99 A102 L106 K107 Y110F78-V97 HydrophobicContact CE1-CB 4Å; F78-V97 HydrophobicContact CE1-CG2 3.84Å; F78-V97 HydrophobicContact CZ-CB 3.78Å; F78-V97 HydrophobicContact CZ-CG1 3.93Å; F78-V97 HydrophobicContact CZ-CG2 4.09Å; D93-V97 WeakPolarHBondContact O-CG2 3.5Å; D93-V97 PolarHBondContact O-N 3.38Å; M94-V97 PolarHBondContact O-N 3.03Å; V97-S99 PolarHBondContact O-N 3.44Å; V97-A102 WeakPolarHBondContact O-CB 3.26Å; V97-L106 HydrophobicContact CG2-CD2 3.94Å; V97-L106 HydrophobicContact CG2-CG 4.11Å; V97-K107 WeakPolarHBondContact O-CE 3.49Å; V97-Y110 HydrophobicContact CB-CD2 4.26Å; V97-Y110 HydrophobicContact CG1-CD2 3.63Å; V97-Y110 HydrophobicContact CG1-CE2 4.38Å; V97-Y110 HydrophobicContact CG1-CG 3.81Å; V97-Y110 HydrophobicContact CG2-CD2 3.64Å; V97-Y110 HydrophobicContact CG2-CE2 3.51Å; V97-Y110 HydrophobicContact CG2-CG 4.31Å
98L78.8Confident83.8Confident6 Ų639.9 Ų39.93%0.03120%0.199CC..Hα-helixtrans-78.5-8.7-179.4-64.1172.3000113.4I74 M94 F95 F183 I185I74-L98 HydrophobicContact CG2-CD1 4.5Å; M94-L98 HydrophobicContact CG-CD1 3.75Å; M94-L98 WeakPolarHBondContact O-CB 3.39Å; M94-L98 WeakPolarHBondContact O-CD1 3.22Å; M94-L98 WeakPolarHBondContact O-CG 3.4Å; M94-L98 PolarHBondContact O-N 2.95Å; F95-L98 PolarHBondContact O-N 2.98Å; L98-F183 HydrophobicContact CD2-CD1 4.21Å; L98-F183 HydrophobicContact CD2-CE1 3.8Å; L98-F183 HydrophobicContact CD2-CZ 4.33Å; L98-I185 HydrophobicContact CB-CB 4.22Å; L98-I185 HydrophobicContact CB-CG1 4.28Å; L98-I185 HydrophobicContact CD1-CD1 3.54Å; L98-I185 HydrophobicContact CD1-CG1 3.99Å; L98-I185 PolarHBondContact O-N 3.2Å
99S79.5Confident83.8Confident16 Ų1644.4 Ų44.411%0.11222%0.217CC..SBendtrans-63148.4174.1-178.90000111.9F95 S96 V97 M101 A102 K107F95-S99 WeakPolarHBondContact O-CB 3.22Å; F95-S99 PolarHBondContact O-N 3.02Å; S96-S99 VanDerWaalsContact O-CB 3.22Å; S96-S99 WeakPolarHBondContact O-CB 3.38Å; S96-S99 PolarHBondContact O-N 3.04Å; V97-S99 PolarHBondContact O-N 3.44Å; S99-M101 PolarHBondContact O-N 3.08Å; S99-M101 PolarHBondContact OG-N 3.18Å; S99-A102 PolarHBondContact O-N 3.34Å; S99-K107 WeakPolarHBondContact O-CE 3.42Å; S99-K107 PolarHBondContact O-NZ 3.29Å
100E73.6Confident83.7Confident132 Ų13243.6 Ų43.662%0.61721%0.209SC*.THydrogen-bonded Turntrans-62.3-24172.7-68.6-176.6179.700112.5A102 R186E100-A102 VanDerWaalsContact C-N 3.34Å; E100-R186 IonicContact OE1-NE 3.93Å
101M75.4Confident83.6Confident132 Ų13243.1 Ų43.165%0.6521%0.207SC*.THydrogen-bonded Turntrans-80-12.4-178.7-64.7-175.66300114S99S99-M101 PolarHBondContact O-N 3.08Å; S99-M101 PolarHBondContact OG-N 3.18Å
102A79.9Confident83.6Confident9 Ų943.2 Ų43.27%0.07421%0.207CC..SBendtrans-69.1140.4-178.100000112.2Y21 S96 V97 S99 E100 K107Y21-A102 HydrophobicContact CD2-CB 4.18Å; Y21-A102 HydrophobicContact CE2-CB 4.21Å; S96-A102 WeakPolarHBondContact O-CB 3.46Å; V97-A102 WeakPolarHBondContact O-CB 3.26Å; S99-A102 PolarHBondContact O-N 3.34Å; E100-A102 VanDerWaalsContact C-N 3.34Å; A102-K107 HydrophobicContact CB-CG 4.2Å
103P83.3Confident83.6Confident54 Ų5444.9 Ų44.935%0.35121%0.214SC..  trans-55.2144.6174.2-24.932.7000112Y21 D105 L106 K107Y21-P103 HydrophobicContact CE1-CG 4.46Å; Y21-P103 WeakPolarHBondContact OH-CD 3.45Å; Y21-P103 VanDerWaalsContact OH-CG 3.22Å; Y21-P103 WeakPolarHBondContact OH-CG 3.44Å; P103-D105 VanDerWaalsContact C-N 3.27Å; P103-D105 PolarHBondContact O-N 2.95Å; P103-L106 HydrophobicContact CB-CB 4.34Å; P103-L106 PolarHBondContact O-N 2.62Å; P103-K107 PolarHBondContact O-N 2.76Å; P103-K107 VanDerWaalsContact O-N 3.11Å
104R79.9Confident83.6Confident166 Ų16642 Ų4263%0.62620%0.199SC*.Hα-helixtrans-59.8-39.2179.1-65.6-176.6-179.5179.3-1.5112.1L106 K107 A108 L180R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.04Å; R104-K107 PolarHBondContact O-N 3.47Å; R104-A108 WeakPolarHBondContact O-CB 3.41Å; R104-A108 PolarHBondContact O-N 2.94Å; R104-L180 HydrophobicContact CB-CD1 4.12Å; R104-L180 HydrophobicContact CG-CD1 4.01Å
105D83.3Confident83.6Confident99 Ų9943.4 Ų43.453%0.52920%0.204SC..Hα-helixtrans-64.5-38.7-179.1-54.5-30.5000111.6P103 A108 Y109P103-D105 VanDerWaalsContact C-N 3.27Å; P103-D105 PolarHBondContact O-N 2.95Å; D105-A108 PolarHBondContact O-N 3.23Å; D105-Y109 WeakPolarHBondContact O-CB 3.31Å; D105-Y109 PolarHBondContact O-N 2.85Å
106L84.6Confident83.8Confident54 Ų5443.3 Ų43.328%0.28320%0.204SC..Hα-helixtrans-65.3-44.7174.9-171.865.4000110.9Y21 V97 P103 R104 A108 Y109 Y110Y21-L106 HydrophobicContact CE2-CD2 4.07Å; V97-L106 HydrophobicContact CG2-CD2 3.94Å; V97-L106 HydrophobicContact CG2-CG 4.11Å; P103-L106 HydrophobicContact CB-CB 4.34Å; P103-L106 PolarHBondContact O-N 2.62Å; R104-L106 VanDerWaalsContact C-N 3.32Å; R104-L106 PolarHBondContact O-N 3.04Å; L106-A108 PolarHBondContact O-N 2.8Å; L106-Y109 PolarHBondContact O-N 3.42Å; L106-Y110 HydrophobicContact CD1-CD2 4.01Å; L106-Y110 HydrophobicContact CD1-CE2 3.74Å; L106-Y110 HydrophobicContact CG-CD2 4.17Å; L106-Y110 HydrophobicContact CG-CE2 4.24Å; L106-Y110 WeakPolarHBondContact O-CD2 3.32Å; L106-Y110 PolarHBondContact O-N 3.16Å
107K83.9Confident83.7Confident16 Ų1645 Ų457%0.0721%0.211CC..Hα-helixtrans-62.4-43175.3-68.8-170.2179.1-157.80112.3V97 S99 A102 P103 R104 Y109 Y110 A111 L180 F183V97-K107 WeakPolarHBondContact O-CE 3.49Å; S99-K107 WeakPolarHBondContact O-CE 3.42Å; S99-K107 PolarHBondContact O-NZ 3.29Å; A102-K107 HydrophobicContact CB-CG 4.2Å; P103-K107 PolarHBondContact O-N 2.76Å; P103-K107 VanDerWaalsContact O-N 3.11Å; R104-K107 PolarHBondContact O-N 3.47Å; K107-Y109 VanDerWaalsContact C-N 3.31Å; K107-Y109 PolarHBondContact O-N 2.86Å; K107-Y110 PolarHBondContact O-N 3.41Å; K107-A111 WeakPolarHBondContact O-CB 3.22Å; K107-A111 PolarHBondContact O-N 3.1Å; K107-L180 HydrophobicContact CB-CD2 4.06Å; K107-F183 HydrophobicContact CB-CD1 4.49Å
108A84.8Confident83.7Confident3 Ų348.1 Ų48.13%0.02523%0.227CC..Hα-helixtrans-62.2-41.4177.700000111R104 D105 L106 A111 F112 F169 Q170 I173R104-A108 WeakPolarHBondContact O-CB 3.41Å; R104-A108 PolarHBondContact O-N 2.94Å; D105-A108 PolarHBondContact O-N 3.23Å; L106-A108 PolarHBondContact O-N 2.8Å; A108-A111 PolarHBondContact O-N 3.45Å; A108-F112 VanDerWaalsContact O-CB 3.3Å; A108-F112 WeakPolarHBondContact O-CB 3.34Å; A108-F112 PolarHBondContact O-N 3.14Å; A108-F169 WeakPolarHBondContact O-CE1 3.15Å; A108-Q170 HydrophobicContact CB-CG 3.98Å; A108-I173 HydrophobicContact CB-CD1 3.75Å
109Y87.8Confident83.9Confident94 Ų9452.4 Ų52.437%0.36925%0.25SS..Hα-helixtrans-61.9-49.5175.6176.1-99.8000112.8D105 L106 K107 F112 K113 L166D105-Y109 WeakPolarHBondContact O-CB 3.31Å; D105-Y109 PolarHBondContact O-N 2.85Å; L106-Y109 PolarHBondContact O-N 3.42Å; K107-Y109 VanDerWaalsContact C-N 3.31Å; K107-Y109 PolarHBondContact O-N 2.86Å; Y109-F112 WeakPolarHBondContact O-CB 3.32Å; Y109-F112 PolarHBondContact O-N 3.43Å; Y109-K113 HydrophobicContact CE1-CG 4.28Å; Y109-K113 PolarHBondContact O-N 3.4Å; Y109-K113 WeakPolarHBondContact OH-CE 3.4Å; Y109-L166 HydrophobicContact CD2-CD1 4.02Å; Y109-L166 HydrophobicContact CD2-CD2 3.78Å; Y109-L166 HydrophobicContact CE2-CD2 4.35Å
110Y87.3Confident84.2Confident49 Ų4954.1 Ų54.119%0.19226%0.258CS..Hα-helixtrans-69.3-36.5178.2-84.7-83.1000112.6V77 F78 V97 L106 K107 F112 K113 I114V77-Y110 HydrophobicContact CG1-CD1 3.78Å; V77-Y110 HydrophobicContact CG1-CE1 4.22Å; F78-Y110 HydrophobicContact CD1-CD1 4.15Å; F78-Y110 AromaticContact CD1-CE1 3.65Å; F78-Y110 HydrophobicContact CD1-CE1 3.65Å; F78-Y110 AromaticContact CE1-CD1 3.44Å; F78-Y110 HydrophobicContact CE1-CD1 3.44Å; F78-Y110 VanDerWaalsContact CE1-CD1 3.44Å; F78-Y110 AromaticContact CE1-CE1 3.19Å; F78-Y110 HydrophobicContact CE1-CE1 3.19Å; F78-Y110 HydrophobicContact CE1-CE2 4.33Å; F78-Y110 HydrophobicContact CE1-CG 4.1Å; F78-Y110 AromaticContact CE1-CZ 3.69Å; F78-Y110 AromaticContact CE2-CD1 3.98Å; F78-Y110 HydrophobicContact CE2-CD1 3.98Å; F78-Y110 HydrophobicContact CE2-CE1 4.46Å; F78-Y110 HydrophobicContact CG-CE1 4.44Å; F78-Y110 AromaticContact CZ-CD1 3.33Å; F78-Y110 HydrophobicContact CZ-CD1 3.33Å; F78-Y110 HydrophobicContact CZ-CD2 4.49Å; F78-Y110 AromaticContact CZ-CE1 3.66Å; F78-Y110 HydrophobicContact CZ-CE1 3.66Å; F78-Y110 AromaticContact CZ-CG 3.79Å; F78-Y110 HydrophobicContact CZ-CG 3.79Å; V97-Y110 HydrophobicContact CB-CD2 4.26Å; V97-Y110 HydrophobicContact CG1-CD2 3.63Å; V97-Y110 HydrophobicContact CG1-CE2 4.38Å; V97-Y110 HydrophobicContact CG1-CG 3.81Å; V97-Y110 HydrophobicContact CG2-CD2 3.64Å; V97-Y110 HydrophobicContact CG2-CE2 3.51Å; V97-Y110 HydrophobicContact CG2-CG 4.31Å; L106-Y110 HydrophobicContact CD1-CD2 4.01Å; L106-Y110 HydrophobicContact CD1-CE2 3.74Å; L106-Y110 HydrophobicContact CG-CD2 4.17Å; L106-Y110 HydrophobicContact CG-CE2 4.24Å; L106-Y110 WeakPolarHBondContact O-CD2 3.32Å; L106-Y110 PolarHBondContact O-N 3.16Å; K107-Y110 PolarHBondContact O-N 3.41Å; Y110-F112 VanDerWaalsContact C-N 3.32Å; Y110-K113 PolarHBondContact O-N 3.4Å; Y110-I114 WeakPolarHBondContact O-CD1 3.32Å; Y110-I114 WeakPolarHBondContact O-CG1 3.34Å; Y110-I114 PolarHBondContact O-N 2.72Å
111A86Confident84.9Confident0 Ų052 Ų520%025%0.251CS..Hα-helixtrans-59.7-45.4171.100000110.3K107 A108 K113 I114 Y115 F169 F179 F183K107-A111 WeakPolarHBondContact O-CB 3.22Å; K107-A111 PolarHBondContact O-N 3.1Å; A108-A111 PolarHBondContact O-N 3.45Å; A111-K113 VanDerWaalsContact C-N 3.35Å; A111-K113 PolarHBondContact O-N 2.85Å; A111-I114 PolarHBondContact O-N 2.88Å; A111-I114 VanDerWaalsContact O-N 3.1Å; A111-Y115 WeakPolarHBondContact O-CD2 3.21Å; A111-Y115 PolarHBondContact O-N 3.48Å; A111-F169 HydrophobicContact CB-CE1 3.95Å; A111-F169 HydrophobicContact CB-CZ 4.28Å; A111-F179 HydrophobicContact CB-CE1 4.34Å; A111-F183 HydrophobicContact CB-CD2 4.35Å; A111-F183 HydrophobicContact CB-CE1 4.19Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.83Å
112F88.3Confident85.6Confident2 Ų249 Ų491%0.00924%0.235CC..Hα-helixtrans-54.7-50.1175.3-178.4-94000111.7A108 Y109 Y110 I114 Y115 D116 D121 I123 L164 L166 F169A108-F112 VanDerWaalsContact O-CB 3.3Å; A108-F112 WeakPolarHBondContact O-CB 3.34Å; A108-F112 PolarHBondContact O-N 3.14Å; Y109-F112 WeakPolarHBondContact O-CB 3.32Å; Y109-F112 PolarHBondContact O-N 3.43Å; Y110-F112 VanDerWaalsContact C-N 3.32Å; F112-I114 VanDerWaalsContact C-N 3.29Å; F112-I114 PolarHBondContact O-N 2.84Å; F112-Y115 PolarHBondContact O-N 3.48Å; F112-Y115 VanDerWaalsContact O-N 3.1Å; F112-D116 WeakPolarHBondContact O-CB 3.48Å; F112-D116 PolarHBondContact O-N 3.32Å; F112-D121 VanDerWaalsContact CZ-O 3.23Å; F112-D121 WeakPolarHBondContact CZ-O 3.39Å; F112-I123 HydrophobicContact CD2-CD1 3.4Å; F112-I123 VanDerWaalsContact CD2-CD1 3.4Å; F112-I123 HydrophobicContact CD2-CG1 3.89Å; F112-I123 HydrophobicContact CE2-CB 4.42Å; F112-I123 HydrophobicContact CE2-CD1 3.61Å; F112-I123 HydrophobicContact CE2-CG1 3.61Å; F112-I123 HydrophobicContact CG-CD1 4.25Å; F112-I123 HydrophobicContact CZ-CG1 4.18Å; F112-L164 WeakPolarHBondContact CE2-O 3.5Å; F112-L166 HydrophobicContact CB-CD1 3.8Å; F112-L166 HydrophobicContact CD1-CD1 4.16Å; F112-L166 HydrophobicContact CD2-CD1 4.34Å; F112-L166 HydrophobicContact CG-CD1 3.84Å; F112-F169 HydrophobicContact CB-CD1 3.78Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CB-CG 4.44Å; F112-F169 HydrophobicContact CD2-CB 3.66Å; F112-F169 AromaticContact CD2-CD1 3.95Å; F112-F169 HydrophobicContact CD2-CD1 3.95Å; F112-F169 HydrophobicContact CD2-CD2 4.37Å; F112-F169 AromaticContact CD2-CG 3.76Å; F112-F169 HydrophobicContact CD2-CG 3.76Å; F112-F169 HydrophobicContact CE2-CB 4.2Å; F112-F169 HydrophobicContact CG-CD1 4.38Å
113K88.4Confident86.1Confident37 Ų3748.6 Ų48.616%0.16123%0.231CC..Hα-helixtrans-60.5-32.6176.7-72.2-63.4-165.7-178.90114.3R73 V77 Y109 Y110 A111 D116 D121R73-K113 PolarHBondContact NH2-O 3.41Å; V77-K113 HydrophobicContact CG1-CB 3.7Å; V77-K113 HydrophobicContact CG2-CB 4.15Å; V77-K113 WeakPolarHBondContact CG2-O 3.39Å; Y109-K113 HydrophobicContact CE1-CG 4.28Å; Y109-K113 PolarHBondContact O-N 3.4Å; Y109-K113 WeakPolarHBondContact OH-CE 3.4Å; Y110-K113 PolarHBondContact O-N 3.4Å; A111-K113 VanDerWaalsContact C-N 3.35Å; A111-K113 PolarHBondContact O-N 2.85Å; K113-D116 VanDerWaalsContact O-O 3.11Å; K113-D121 IonicContact NZ-OD1 3.54Å; K113-D121 PolarHBondContact NZ-OD1 3.41Å
114I88.3Confident86.3Confident2 Ų246.9 Ų46.91%0.0122%0.22CC..Hα-helixtrans-72.3-33.8176.8-73.9158.4000111.6F70 R73 I74 V77 Y110 A111 F112 F183F70-I114 HydrophobicContact CB-CG2 4.13Å; F70-I114 HydrophobicContact CD1-CG2 4.38Å; F70-I114 HydrophobicContact CG-CG2 4.41Å; R73-I114 HydrophobicContact CB-CG2 4.01Å; I74-I114 HydrophobicContact CB-CD1 4.46Å; I74-I114 HydrophobicContact CG1-CD1 3.73Å; I74-I114 HydrophobicContact CG1-CG1 4.27Å; I74-I114 HydrophobicContact CG1-CG2 4.49Å; V77-I114 HydrophobicContact CB-CG1 4.15Å; V77-I114 HydrophobicContact CG1-CG1 4.31Å; V77-I114 HydrophobicContact CG2-CG1 3.92Å; Y110-I114 WeakPolarHBondContact O-CD1 3.32Å; Y110-I114 WeakPolarHBondContact O-CG1 3.34Å; Y110-I114 PolarHBondContact O-N 2.72Å; A111-I114 PolarHBondContact O-N 2.88Å; A111-I114 VanDerWaalsContact O-N 3.1Å; F112-I114 VanDerWaalsContact C-N 3.29Å; F112-I114 PolarHBondContact O-N 2.84Å; I114-F183 HydrophobicContact CD1-CE2 4.31Å; I114-F183 HydrophobicContact CD1-CZ 3.69Å
115Y86.6Confident86.6Confident30 Ų3043 Ų4312%0.11821%0.208CC..Hα-helixtrans-85.1-29.7-178.5-80.1-113.3000112.7A111 F112 F117 D127 T131 F179A111-Y115 WeakPolarHBondContact O-CD2 3.21Å; A111-Y115 PolarHBondContact O-N 3.48Å; F112-Y115 PolarHBondContact O-N 3.48Å; F112-Y115 VanDerWaalsContact O-N 3.1Å; Y115-F117 VanDerWaalsContact O-CD2 3.23Å; Y115-F117 WeakPolarHBondContact O-CD2 3.5Å; Y115-F117 PolarHBondContact O-N 3.5Å; Y115-D127 WeakPolarHBondContact O-CB 3.42Å; Y115-T131 HydrophobicContact CD1-CG2 3.53Å; Y115-T131 HydrophobicContact CE1-CG2 3.28Å; Y115-F179 HydrophobicContact CE1-CE2 4.42Å; Y115-F179 HydrophobicContact CE1-CZ 4.34Å; Y115-F179 AromaticContact CE2-CZ 3.89Å; Y115-F179 HydrophobicContact CE2-CZ 3.89Å; Y115-F179 AromaticContact CZ-CE2 3.89Å; Y115-F179 AromaticContact CZ-CZ 3.62Å; Y115-F179 VanDerWaalsContact OH-CE2 3.3Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.46Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.35Å
116D89.1Confident86.7Confident0 Ų040.7 Ų40.70%020%0.2CC..  trans-67.5115.5166.6179-1.5000108.4R73 F112 K113 N118 D119 D120 D121 I123R73-D116 PolarHBondContact NH2-O 3.47Å; F112-D116 WeakPolarHBondContact O-CB 3.48Å; F112-D116 PolarHBondContact O-N 3.32Å; K113-D116 VanDerWaalsContact O-O 3.11Å; D116-N118 PolarHBondContact OD1-N 3.01Å; D116-N118 PolarHBondContact OD1-OD1 2.95Å; D116-D119 WeakPolarHBondContact OD1-CA 3.38Å; D116-D119 PolarHBondContact OD1-N 3.16Å; D116-D119 VanDerWaalsContact OD2-CA 3.3Å; D116-D119 WeakPolarHBondContact OD2-CA 3.36Å; D116-D120 PolarHBondContact OD1-N 3.18Å; D116-D120 PolarHBondContact OD2-N 2.79Å; D116-D121 WeakPolarHBondContact OD2-CA 3.35Å; D116-D121 PolarHBondContact OD2-N 3.14Å; D116-I123 HydrophobicContact CB-CG1 4.48Å
117F84.1Confident86.9Confident38 Ų3838.1 Ų38.117%0.16719%0.186CC..SBendtrans-101.2-14.9-178.7-83.1-95.1000113.3R73 Y115 D127 K130 T131 K134R73-F117 HydrophobicContact CG-CD1 4.21Å; R73-F117 HydrophobicContact CG-CE1 3.6Å; R73-F117 HydrophobicContact CG-CZ 3.94Å; Y115-F117 VanDerWaalsContact O-CD2 3.23Å; Y115-F117 WeakPolarHBondContact O-CD2 3.5Å; Y115-F117 PolarHBondContact O-N 3.5Å; F117-D127 WeakPolarHBondContact CB-OD1 3.29Å; F117-D127 HydrophobicContact CD2-CB 4.13Å; F117-K130 HydrophobicContact CB-CD 3.95Å; F117-K130 HydrophobicContact CD1-CD 4.01Å; F117-K130 HydrophobicContact CD2-CB 4.13Å; F117-K130 HydrophobicContact CD2-CD 4.05Å; F117-K130 HydrophobicContact CE2-CB 3.95Å; F117-K130 HydrophobicContact CG-CD 3.75Å; F117-K130 HydrophobicContact CZ-CB 4.18Å; F117-T131 WeakPolarHBondContact CE2-OG1 3.28Å; F117-K134 HydrophobicContact CZ-CD 4.09Å
118N84.1Confident87Confident71 Ų7138.3 Ų38.338%0.3819%0.188SC..SBendtrans-104.3-2.2-17952.6-42.9000112.1D116 D120 D127D116-N118 PolarHBondContact OD1-N 3.01Å; D116-N118 PolarHBondContact OD1-OD1 2.95Å; N118-D120 PolarHBondContact ND2-OD1 3.08Å; N118-D120 PolarHBondContact ND2-OD2 3.28Å; N118-D120 PolarHBondContact O-N 2.6Å; N118-D127 PolarHBondContact OD1-OD1 3.09Å; N118-D127 PolarHBondContact OD1-OD2 3.49Å
119D83.4Confident87.1Confident97 Ų9741 Ų4152%0.51920%0.2SC..  trans52.837178.4-56.6-55.4000111.3R73 D116R73-D119 IonicContact NH2-OD1 3.08Å; R73-D119 PolarHBondContact NH2-OD1 2.96Å; R73-D119 IonicContact NH2-OD2 3.2Å; D116-D119 WeakPolarHBondContact OD1-CA 3.38Å; D116-D119 PolarHBondContact OD1-N 3.16Å; D116-D119 VanDerWaalsContact OD2-CA 3.3Å; D116-D119 WeakPolarHBondContact OD2-CA 3.36Å
120D86.8Confident87Confident52 Ų5240.9 Ų40.928%0.27820%0.201SC..SBendtrans-95.27.117981.5-23.1000113.4D116 N118 F122 R163D116-D120 PolarHBondContact OD1-N 3.18Å; D116-D120 PolarHBondContact OD2-N 2.79Å; N118-D120 PolarHBondContact ND2-OD1 3.08Å; N118-D120 PolarHBondContact ND2-OD2 3.28Å; N118-D120 PolarHBondContact O-N 2.6Å; D120-F122 WeakPolarHBondContact O-CD2 3.31Å; D120-F122 PolarHBondContact O-N 2.98Å; D120-F122 PolarHBondContact OD1-N 3.36Å; D120-F122 VanDerWaalsContact OD1-N 3.09Å; D120-R163 IonicContact OD2-NH1 3.5Å; D120-R163 PolarHBondContact OD2-NH1 3.43Å
121D88.3Confident86.8Confident87 Ų8738.8 Ų38.847%0.46519%0.194SC..SBendtrans64.121.2-175.7-67.9-47.6000113.6F112 K113 D116F112-D121 VanDerWaalsContact CZ-O 3.23Å; F112-D121 WeakPolarHBondContact CZ-O 3.39Å; K113-D121 IonicContact NZ-OD1 3.54Å; K113-D121 PolarHBondContact NZ-OD1 3.41Å; D116-D121 WeakPolarHBondContact OD2-CA 3.35Å; D116-D121 PolarHBondContact OD2-N 3.14Å
122F90.1Very high86.7Confident69 Ų6940.3 Ų40.330%0.30320%0.202SC..SBendtrans-137.9134.7174.1-64.2-82.9000111.5D120 C124 R163 L164D120-F122 WeakPolarHBondContact O-CD2 3.31Å; D120-F122 PolarHBondContact O-N 2.98Å; D120-F122 PolarHBondContact OD1-N 3.36Å; D120-F122 VanDerWaalsContact OD1-N 3.09Å; F122-C124 PolarHBondContact O-N 3.06Å; F122-R163 HydrophobicContact CB-CB 4.13Å; F122-R163 HydrophobicContact CD1-CB 4.16Å; F122-R163 HydrophobicContact CG-CB 4.44Å; F122-L164 WeakPolarHBondContact CA-O 3.47Å
123I89.1Confident86.5Confident0 Ų042.6 Ų42.60%021%0.214CC..BIsolated β-bridgetrans-86.6111.2170.2-62.9167000108.3F112 D116 D127 L128 L164 F169F112-I123 HydrophobicContact CD2-CD1 3.4Å; F112-I123 VanDerWaalsContact CD2-CD1 3.4Å; F112-I123 HydrophobicContact CD2-CG1 3.89Å; F112-I123 HydrophobicContact CE2-CB 4.42Å; F112-I123 HydrophobicContact CE2-CD1 3.61Å; F112-I123 HydrophobicContact CE2-CG1 3.61Å; F112-I123 HydrophobicContact CG-CD1 4.25Å; F112-I123 HydrophobicContact CZ-CG1 4.18Å; D116-I123 HydrophobicContact CB-CG1 4.48Å; I123-D127 HydrophobicContact CG2-CB 4.45Å; I123-L128 HydrophobicContact CG2-CD1 4.44Å; I123-L128 HydrophobicContact CG2-CD2 3.63Å; I123-L128 HydrophobicContact CG2-CG 3.7Å; I123-L164 HydrophobicContact CB-CB 4.17Å; I123-L164 PolarHBondContact N-O 3.06Å; I123-L164 PolarHBondContact O-N 3.12Å; I123-F169 HydrophobicContact CD1-CD2 3.65Å; I123-F169 HydrophobicContact CD1-CE2 3.79Å; I123-F169 HydrophobicContact CD1-CG 4.23Å; I123-F169 HydrophobicContact CD1-CZ 4.46Å
124C88.1Confident86.2Confident18 Ų1844.2 Ų44.212%0.12222%0.221CC..  trans-97.7171.1177.7-63.80000111.6F122 S126 D127 L128F122-C124 PolarHBondContact O-N 3.06Å; C124-S126 PolarHBondContact O-N 3.43Å; C124-D127 WeakPolarHBondContact CB-OD2 3.23Å; C124-D127 PolarHBondContact N-OD2 2.92Å; C124-D127 PolarHBondContact O-N 3.26Å; C124-L128 PolarHBondContact O-N 3.14Å; C124-L128 VanDerWaalsContact O-N 3.15Å
125K85.9Confident85.7Confident84 Ų8448.5 Ų48.537%0.36524%0.243SC..Hα-helixtrans-50.3-42.2174-71.3-175.2-179.6-173.10112.1D127 L128 E129 E150 I153K125-D127 VanDerWaalsContact C-N 3.25Å; K125-D127 PolarHBondContact O-N 3.28Å; K125-L128 PolarHBondContact O-N 3.43Å; K125-E129 WeakPolarHBondContact O-CB 3.18Å; K125-E129 VanDerWaalsContact O-CG 3.29Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.9Å; K125-E150 HydrophobicContact CD-CG 4.49Å; K125-E150 IonicContact NZ-OE1 2.95Å; K125-E150 PolarHBondContact NZ-OE1 3.46Å; K125-I153 HydrophobicContact CB-CD1 4.25Å; K125-I153 HydrophobicContact CD-CD1 4.3Å; K125-I153 HydrophobicContact CG-CD1 3.24Å
126S86.6Confident85.3Confident52 Ų5248.6 Ų48.636%0.36425%0.247SC..Hα-helixtrans-58.6-34.8178.642.40000113.8C124 K130C124-S126 PolarHBondContact O-N 3.43Å; S126-K130 WeakPolarHBondContact O-CG 3.39Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 VanDerWaalsContact O-N 3.14Å
127D88.2Confident84.7Confident0 Ų058.5 Ų58.50%029%0.285CS..Hα-helixtrans-84.7-35.9-173.9-50-55.1000110.2Y115 F117 N118 I123 C124 K125 K130 T131Y115-D127 WeakPolarHBondContact O-CB 3.42Å; F117-D127 WeakPolarHBondContact CB-OD1 3.29Å; F117-D127 HydrophobicContact CD2-CB 4.13Å; N118-D127 PolarHBondContact OD1-OD1 3.09Å; N118-D127 PolarHBondContact OD1-OD2 3.49Å; I123-D127 HydrophobicContact CG2-CB 4.45Å; C124-D127 WeakPolarHBondContact CB-OD2 3.23Å; C124-D127 PolarHBondContact N-OD2 2.92Å; C124-D127 PolarHBondContact O-N 3.26Å; K125-D127 VanDerWaalsContact C-N 3.25Å; K125-D127 PolarHBondContact O-N 3.28Å; D127-K130 PolarHBondContact O-N 3.25Å; D127-K130 IonicContact OD1-NZ 2.6Å; D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.2Å; D127-T131 PolarHBondContact O-N 2.87Å; D127-T131 PolarHBondContact O-OG1 2.9Å
128L86Confident84.3Confident19 Ų1962.3 Ų62.310%0.09931%0.307CS..Hα-helixtrans-62.5-41.9166.8-64.7178.1000112I123 C124 K125 T131 L132 C149 V152 I153I123-L128 HydrophobicContact CG2-CD1 4.44Å; I123-L128 HydrophobicContact CG2-CD2 3.63Å; I123-L128 HydrophobicContact CG2-CG 3.7Å; C124-L128 PolarHBondContact O-N 3.14Å; C124-L128 VanDerWaalsContact O-N 3.15Å; K125-L128 PolarHBondContact O-N 3.43Å; L128-T131 WeakPolarHBondContact O-CB 3.26Å; L128-T131 PolarHBondContact O-N 2.87Å; L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 WeakPolarHBondContact O-CG 3.34Å; L128-L132 PolarHBondContact O-N 3.09Å; L128-C149 HydrophobicContact CB-CB 4.28Å; L128-C149 VanDerWaalsContact CB-SG 3.55Å; L128-V152 HydrophobicContact CD1-CB 4.28Å; L128-V152 HydrophobicContact CD1-CG1 3.98Å; L128-V152 HydrophobicContact CD2-CG1 4.49Å; L128-I153 HydrophobicContact CD1-CD1 4.11Å; L128-I153 HydrophobicContact CD1-CG1 3.74Å
129E86.1Confident84Confident61 Ų6166.9 Ų66.929%0.28533%0.326SS..Hα-helixtrans-59.6-49.2176.4-78.1178.2178.300111K125 T131 L132 N133 V145 K146K125-E129 WeakPolarHBondContact O-CB 3.18Å; K125-E129 VanDerWaalsContact O-CG 3.29Å; K125-E129 WeakPolarHBondContact O-CG 3.47Å; K125-E129 PolarHBondContact O-N 2.9Å; E129-T131 VanDerWaalsContact C-N 3.31Å; E129-T131 PolarHBondContact O-N 3.14Å; E129-L132 PolarHBondContact O-N 3.02Å; E129-N133 VanDerWaalsContact O-CB 3.3Å; E129-N133 WeakPolarHBondContact O-CB 3.4Å; E129-N133 PolarHBondContact O-N 3.27Å; E129-N133 PolarHBondContact O-ND2 3.05Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å; E129-V145 HydrophobicContact CB-CG1 4.11Å; E129-V145 HydrophobicContact CG-CG1 3.85Å; E129-K146 WeakPolarHBondContact OE1-CG 3.11Å
130K85.5Confident83.9Confident90 Ų9065.1 Ų65.139%0.39132%0.316SS..Hα-helixtrans-59.4-42.5175.9-72.1169.7-169.8162.10112F117 S126 D127 K134F117-K130 HydrophobicContact CB-CD 3.95Å; F117-K130 HydrophobicContact CD1-CD 4.01Å; F117-K130 HydrophobicContact CD2-CB 4.13Å; F117-K130 HydrophobicContact CD2-CD 4.05Å; F117-K130 HydrophobicContact CE2-CB 3.95Å; F117-K130 HydrophobicContact CG-CD 3.75Å; F117-K130 HydrophobicContact CZ-CB 4.18Å; S126-K130 WeakPolarHBondContact O-CG 3.39Å; S126-K130 PolarHBondContact O-N 3.14Å; S126-K130 VanDerWaalsContact O-N 3.14Å; D127-K130 PolarHBondContact O-N 3.25Å; D127-K130 IonicContact OD1-NZ 2.6Å; K130-K134 WeakPolarHBondContact O-CG 3.28Å; K130-K134 PolarHBondContact O-N 3.35Å
131T84.7Confident83.9Confident5 Ų566.3 Ų66.33%0.03133%0.325CS..Hα-helixtrans-62-50.7178.4-63.40000111.3F70 Y115 F117 D127 L128 E129 N133 K134 L135F70-T131 HydrophobicContact CE1-CG2 3.87Å; F70-T131 HydrophobicContact CZ-CG2 3.58Å; Y115-T131 HydrophobicContact CD1-CG2 3.53Å; Y115-T131 HydrophobicContact CE1-CG2 3.28Å; F117-T131 WeakPolarHBondContact CE2-OG1 3.28Å; D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.2Å; D127-T131 PolarHBondContact O-N 2.87Å; D127-T131 PolarHBondContact O-OG1 2.9Å; L128-T131 WeakPolarHBondContact O-CB 3.26Å; L128-T131 PolarHBondContact O-N 2.87Å; E129-T131 VanDerWaalsContact C-N 3.31Å; E129-T131 PolarHBondContact O-N 3.14Å; T131-N133 VanDerWaalsContact C-N 3.33Å; T131-N133 PolarHBondContact O-N 2.95Å; T131-K134 WeakPolarHBondContact O-CB 3.48Å; T131-K134 PolarHBondContact O-N 2.85Å; T131-L135 HydrophobicContact CG2-CD1 4.13Å; T131-L135 PolarHBondContact O-N 3.03Å
132L82.6Confident83.7Confident33 Ų3369.2 Ų69.217%0.17334%0.336CS..Hα-helixtrans-63.2-40179.4-74.3174.1000111.7L128 E129 K134 L135 T136 V145 V148 C149L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 WeakPolarHBondContact O-CG 3.34Å; L128-L132 PolarHBondContact O-N 3.09Å; E129-L132 PolarHBondContact O-N 3.02Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 2.86Å; L132-L135 PolarHBondContact O-N 2.84Å; L132-T136 WeakPolarHBondContact O-CB 3.37Å; L132-T136 WeakPolarHBondContact O-CG2 3.26Å; L132-T136 PolarHBondContact O-N 2.89Å; L132-T136 PolarHBondContact O-OG1 3.08Å; L132-V145 HydrophobicContact CB-CG1 4.03Å; L132-V145 HydrophobicContact CD1-CG1 3.89Å; L132-V148 HydrophobicContact CD1-CB 3.95Å; L132-V148 HydrophobicContact CD1-CG1 3.75Å; L132-V148 HydrophobicContact CD2-CG1 4.21Å; L132-C149 VanDerWaalsContact CD1-SG 3.55Å
133N84.6Confident83.5Confident50 Ų5072 Ų7227%0.26735%0.354SS..Hα-helixtrans-62.1-40.3175.2-76.9-25.5000112E129 T131 R137 N138E129-N133 VanDerWaalsContact O-CB 3.3Å; E129-N133 WeakPolarHBondContact O-CB 3.4Å; E129-N133 PolarHBondContact O-N 3.27Å; E129-N133 PolarHBondContact O-ND2 3.05Å; E129-N133 VanDerWaalsContact O-ND2 3.15Å; T131-N133 VanDerWaalsContact C-N 3.33Å; T131-N133 PolarHBondContact O-N 2.95Å; N133-R137 WeakPolarHBondContact O-CA 3.42Å; N133-R137 PolarHBondContact O-N 3.2Å; N133-N138 WeakPolarHBondContact CB-OD1 3.2Å; N133-N138 PolarHBondContact O-N 3Å; N133-N138 VanDerWaalsContact O-N 3.08Å
134K81.7Confident83.3Confident71 Ų7176.4 Ų76.431%0.30938%0.375SS..Hα-helixtrans-66.4-39.6174.6-81.5-179.8176.4-108.60112.9P69 F70 F117 K130 T131 L132P69-K134 HydrophobicContact CB-CB 4.36Å; P69-K134 PolarHBondContact O-NZ 3.37Å; F70-K134 HydrophobicContact CD1-CD 4.27Å; F70-K134 HydrophobicContact CE1-CB 4.31Å; F70-K134 HydrophobicContact CE1-CD 4.15Å; F70-K134 HydrophobicContact CZ-CB 4.41Å; F117-K134 HydrophobicContact CZ-CD 4.09Å; K130-K134 WeakPolarHBondContact O-CG 3.28Å; K130-K134 PolarHBondContact O-N 3.35Å; T131-K134 WeakPolarHBondContact O-CB 3.48Å; T131-K134 PolarHBondContact O-N 2.85Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 2.86Å
135L79Confident83.2Confident91 Ų9175.7 Ų75.748%0.47637%0.37SS..Hα-helixtrans-71.9-44.8179.6-77.7170.9000112.7P69 F70 T131 L132 R137P69-L135 HydrophobicContact CG-CD2 4.37Å; F70-L135 HydrophobicContact CE2-CD1 4.39Å; F70-L135 HydrophobicContact CE2-CD2 3.65Å; F70-L135 HydrophobicContact CE2-CG 3.84Å; F70-L135 HydrophobicContact CZ-CD1 4.23Å; F70-L135 HydrophobicContact CZ-CD2 4.17Å; F70-L135 HydrophobicContact CZ-CG 3.81Å; T131-L135 HydrophobicContact CG2-CD1 4.13Å; T131-L135 PolarHBondContact O-N 3.03Å; L132-L135 PolarHBondContact O-N 2.84Å; L135-R137 VanDerWaalsContact C-N 3.3Å
136T77Confident83.2Confident32 Ų3276 Ų7620%0.19637%0.371CS..Hα-helixtrans-88.11.3-177.164.30000113L132 N138 E139 L140L132-T136 WeakPolarHBondContact O-CB 3.37Å; L132-T136 WeakPolarHBondContact O-CG2 3.26Å; L132-T136 PolarHBondContact O-N 2.89Å; L132-T136 PolarHBondContact O-OG1 3.08Å; T136-N138 PolarHBondContact O-N 3.34Å; T136-E139 VanDerWaalsContact O-CB 3.22Å; T136-E139 WeakPolarHBondContact O-CB 3.41Å; T136-E139 WeakPolarHBondContact O-CG 3.43Å; T136-E139 PolarHBondContact O-N 3.1Å; T136-L140 HydrophobicContact CG2-CD1 3.64Å; T136-L140 HydrophobicContact CG2-CG 3.88Å
137R77Confident83.2Confident208 Ų20878.7 Ų78.779%0.78538%0.38SS*.THydrogen-bonded Turntrans54.133.7-177.8-56.6177.8175.4176.7-1.7112.8N133 L135 E139N133-R137 WeakPolarHBondContact O-CA 3.42Å; N133-R137 PolarHBondContact O-N 3.2Å; L135-R137 VanDerWaalsContact C-N 3.3Å; R137-E139 VanDerWaalsContact C-N 3.29Å; R137-E139 PolarHBondContact O-N 2.99Å
138N74.8Confident83.1Confident118 Ų11881.5 Ų81.563%0.63140%0.397SS*.THydrogen-bonded Turntrans60.230.8-174-46.7-68000114.3N133 T136N133-N138 WeakPolarHBondContact CB-OD1 3.2Å; N133-N138 PolarHBondContact O-N 3Å; N133-N138 VanDerWaalsContact O-N 3.08Å; T136-N138 PolarHBondContact O-N 3.34Å
139E78.6Confident83.1Confident168 Ų16880.7 Ų80.779%0.78539%0.392SS*.  trans-79.5-19.3174.3-70-176.8155.100113T136 R137T136-E139 VanDerWaalsContact O-CB 3.22Å; T136-E139 WeakPolarHBondContact O-CB 3.41Å; T136-E139 WeakPolarHBondContact O-CG 3.43Å; T136-E139 PolarHBondContact O-N 3.1Å; R137-E139 VanDerWaalsContact C-N 3.29Å; R137-E139 PolarHBondContact O-N 2.99Å
140L80.9Confident83.1Confident59 Ų5982.2 Ų82.231%0.30940%0.399SS..SBendtrans-85.6149176.1-65.2-178.2000112T136 E144 V145T136-L140 HydrophobicContact CG2-CD1 3.64Å; T136-L140 HydrophobicContact CG2-CG 3.88Å; L140-E144 HydrophobicContact CB-CB 4.36Å; L140-E144 HydrophobicContact CD2-CB 4.47Å; L140-V145 HydrophobicContact CB-CG2 3.65Å; L140-V145 HydrophobicContact CD1-CG2 4.19Å
141T86.6Confident83.1Confident78 Ų7883.8 Ų83.848%0.47941%0.406SS..  trans-74.7154.8170.860.10000111.5D143 E144 V145T141-D143 PolarHBondContact O-N 3.42Å; T141-D143 VanDerWaalsContact O-N 3.16Å; T141-E144 PolarHBondContact N-OE2 3Å; T141-E144 PolarHBondContact O-N 2.7Å; T141-E144 VanDerWaalsContact OG1-CD 3.28Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.27Å; T141-E144 PolarHBondContact OG1-N 3.43Å; T141-E144 PolarHBondContact OG1-OE2 3.4Å; T141-V145 WeakPolarHBondContact O-CG2 3.24Å; T141-V145 PolarHBondContact O-N 2.79Å
142E83.9Confident83.1Confident148 Ų14885.8 Ų85.869%0.69242%0.418SS*.Hα-helixtrans-54.9-35.4178.1-68.6-176.4-171.300112.7K146E142-K146 WeakPolarHBondContact O-CB 3.31Å; E142-K146 VanDerWaalsContact O-CG 3.28Å; E142-K146 WeakPolarHBondContact O-CG 3.19Å; E142-K146 PolarHBondContact O-N 3.07Å
143D86.1Confident83.3Confident126 Ų12684.4 Ų84.467%0.67441%0.411SS*.Hα-helixtrans-70.7-38.3178.9-66.6-30.4000112.1T141 M147T141-D143 PolarHBondContact O-N 3.42Å; T141-D143 VanDerWaalsContact O-N 3.16Å; D143-M147 VanDerWaalsContact O-CB 3.31Å; D143-M147 WeakPolarHBondContact O-CB 3.47Å; D143-M147 PolarHBondContact O-N 2.76Å
144E86.2Confident83.4Confident93 Ų9388.1 Ų88.144%0.43543%0.431SS..Hα-helixtrans-67.2-43.3174.8-73.6167.9137.100111.4L140 T141 M147 V148L140-E144 HydrophobicContact CB-CB 4.36Å; L140-E144 HydrophobicContact CD2-CB 4.47Å; T141-E144 PolarHBondContact N-OE2 3Å; T141-E144 PolarHBondContact O-N 2.7Å; T141-E144 VanDerWaalsContact OG1-CD 3.28Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.27Å; T141-E144 PolarHBondContact OG1-N 3.43Å; T141-E144 PolarHBondContact OG1-OE2 3.4Å; E144-M147 PolarHBondContact O-N 2.89Å; E144-V148 WeakPolarHBondContact O-CG2 3.04Å; E144-V148 PolarHBondContact O-N 2.84Å
145V85.6Confident83.6Confident4 Ų491.8 Ų91.82%0.02445%0.449CS..Hα-helixtrans-60.2-49.7176.7179.40000109.8E129 L132 L140 T141 M147 V148 C149E129-V145 HydrophobicContact CB-CG1 4.11Å; E129-V145 HydrophobicContact CG-CG1 3.85Å; L132-V145 HydrophobicContact CB-CG1 4.03Å; L132-V145 HydrophobicContact CD1-CG1 3.89Å; L140-V145 HydrophobicContact CB-CG2 3.65Å; L140-V145 HydrophobicContact CD1-CG2 4.19Å; T141-V145 WeakPolarHBondContact O-CG2 3.24Å; T141-V145 PolarHBondContact O-N 2.79Å; V145-M147 VanDerWaalsContact C-N 3.35Å; V145-M147 PolarHBondContact O-N 3.33Å; V145-V148 PolarHBondContact O-N 3.35Å; V145-C149 PolarHBondContact O-N 3.21Å; V145-C149 PolarHBondContact O-SG 3.37Å
146K85.9Confident83.8Confident89 Ų8987.7 Ų87.739%0.38743%0.429SS..Hα-helixtrans-57.3-46.4176.5-77.7171.8-174.8163.70112.1E129 E142 V148 C149 E150E129-K146 WeakPolarHBondContact OE1-CG 3.11Å; E142-K146 WeakPolarHBondContact O-CB 3.31Å; E142-K146 VanDerWaalsContact O-CG 3.28Å; E142-K146 WeakPolarHBondContact O-CG 3.19Å; E142-K146 PolarHBondContact O-N 3.07Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 3.14Å; K146-C149 PolarHBondContact O-N 3.38Å; K146-E150 WeakPolarHBondContact O-CB 3.49Å; K146-E150 WeakPolarHBondContact O-CG 3.33Å; K146-E150 PolarHBondContact O-N 2.59Å
147M86.4Confident84.4Confident110 Ų11086.8 Ų86.854%0.54242%0.423SS..Hα-helixtrans-60.5-38.4179.4-173.8-178.1-173.500112.2D143 E144 V145 K151D143-M147 VanDerWaalsContact O-CB 3.31Å; D143-M147 WeakPolarHBondContact O-CB 3.47Å; D143-M147 PolarHBondContact O-N 2.76Å; E144-M147 PolarHBondContact O-N 2.89Å; V145-M147 VanDerWaalsContact C-N 3.35Å; V145-M147 PolarHBondContact O-N 3.33Å; M147-K151 WeakPolarHBondContact O-CG 3.35Å; M147-K151 PolarHBondContact O-N 3.39Å
148V85.3Confident84.8Confident59 Ų5981.2 Ų81.236%0.35841%0.408SS..Hα-helixtrans-70.4-46.1175.7175.50000110.7L132 E144 V145 K146 E150 K151 V152L132-V148 HydrophobicContact CD1-CB 3.95Å; L132-V148 HydrophobicContact CD1-CG1 3.75Å; L132-V148 HydrophobicContact CD2-CG1 4.21Å; E144-V148 WeakPolarHBondContact O-CG2 3.04Å; E144-V148 PolarHBondContact O-N 2.84Å; V145-V148 PolarHBondContact O-N 3.35Å; K146-V148 VanDerWaalsContact C-N 3.28Å; K146-V148 PolarHBondContact O-N 3.14Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 3.31Å; V148-K151 PolarHBondContact O-N 2.81Å; V148-V152 HydrophobicContact CG1-CG2 4.26Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.48Å; V148-V152 PolarHBondContact O-N 2.85Å
149C86.1Confident85.4Confident1 Ų180.3 Ų80.31%0.00740%0.403CS..Hα-helixtrans-56-45.3176.7-68.70000112L128 L132 V145 K146 V152 I153L128-C149 HydrophobicContact CB-CB 4.28Å; L128-C149 VanDerWaalsContact CB-SG 3.55Å; L132-C149 VanDerWaalsContact CD1-SG 3.55Å; V145-C149 PolarHBondContact O-N 3.21Å; V145-C149 PolarHBondContact O-SG 3.37Å; K146-C149 PolarHBondContact O-N 3.38Å; C149-V152 PolarHBondContact O-N 3.28Å; C149-I153 WeakPolarHBondContact O-CG1 3.4Å; C149-I153 PolarHBondContact O-N 2.93Å
150E86.5Confident85.6Confident93 Ų9378.6 Ų78.644%0.43540%0.399SS..Hα-helixtrans-62.9-45.6178.3-71.7-170.3153.400111.9K125 K146 V148 V152 I153 D154K125-E150 HydrophobicContact CD-CG 4.49Å; K125-E150 IonicContact NZ-OE1 2.95Å; K125-E150 PolarHBondContact NZ-OE1 3.46Å; K146-E150 WeakPolarHBondContact O-CB 3.49Å; K146-E150 WeakPolarHBondContact O-CG 3.33Å; K146-E150 PolarHBondContact O-N 2.59Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 3.31Å; E150-V152 VanDerWaalsContact C-N 3.32Å; E150-V152 PolarHBondContact O-N 3.37Å; E150-I153 PolarHBondContact O-N 3.19Å; E150-D154 WeakPolarHBondContact O-CB 3.38Å; E150-D154 PolarHBondContact O-N 2.85Å
151K85.8Confident85.9Confident124 Ų12479.2 Ų79.254%0.53940%0.403SS..Hα-helixtrans-62.1-39.3176.4-75.8-179.2175.9-174.50113.2M147 V148 E155M147-K151 WeakPolarHBondContact O-CG 3.35Å; M147-K151 PolarHBondContact O-N 3.39Å; V148-K151 PolarHBondContact O-N 2.81Å; K151-E155 VanDerWaalsContact O-CB 3.31Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 PolarHBondContact O-N 3.44Å; K151-E155 VanDerWaalsContact O-N 3.07Å
152V84.9Confident85.8Confident47 Ų4777.4 Ų77.429%0.28540%0.399SS..Hα-helixtrans-65.1-45.9178.6170.20000110.2L128 V148 C149 E150 E155 A156 L164 M172L128-V152 HydrophobicContact CD1-CB 4.28Å; L128-V152 HydrophobicContact CD1-CG1 3.98Å; L128-V152 HydrophobicContact CD2-CG1 4.49Å; V148-V152 HydrophobicContact CG1-CG2 4.26Å; V148-V152 VanDerWaalsContact O-CG2 3.31Å; V148-V152 WeakPolarHBondContact O-CG2 3.48Å; V148-V152 PolarHBondContact O-N 2.85Å; C149-V152 PolarHBondContact O-N 3.28Å; E150-V152 VanDerWaalsContact C-N 3.32Å; E150-V152 PolarHBondContact O-N 3.37Å; V152-E155 PolarHBondContact O-N 3.35Å; V152-A156 WeakPolarHBondContact O-CB 3.49Å; V152-A156 PolarHBondContact O-N 2.72Å; V152-L164 HydrophobicContact CG1-CD1 4.44Å; V152-M172 HydrophobicContact CG1-SD 4.39Å
153I86.7Confident86Confident4 Ų475.4 Ų75.42%0.02139%0.385CS..Hα-helixtrans-64.4-50.9177-66.5177.9000110.1K125 L128 C149 E150 E155 A156 D157 L164K125-I153 HydrophobicContact CB-CD1 4.25Å; K125-I153 HydrophobicContact CD-CD1 4.3Å; K125-I153 HydrophobicContact CG-CD1 3.24Å; L128-I153 HydrophobicContact CD1-CD1 4.11Å; L128-I153 HydrophobicContact CD1-CG1 3.74Å; C149-I153 WeakPolarHBondContact O-CG1 3.4Å; C149-I153 PolarHBondContact O-N 2.93Å; E150-I153 PolarHBondContact O-N 3.19Å; I153-E155 PolarHBondContact O-N 2.86Å; I153-A156 PolarHBondContact O-N 2.97Å; I153-A156 VanDerWaalsContact O-N 3.14Å; I153-D157 HydrophobicContact CG2-CB 3.96Å; I153-D157 WeakPolarHBondContact O-CA 3.22Å; I153-D157 WeakPolarHBondContact O-CB 3.45Å; I153-D157 PolarHBondContact O-N 3Å; I153-L164 HydrophobicContact CG1-CG 4.48Å
154D86.3Confident86.1Confident127 Ų12769.5 Ų69.568%0.67935%0.354SS*.Hα-helixtrans-57.9-27.5-179.3-72.2-5.5000113.4E150E150-D154 WeakPolarHBondContact O-CB 3.38Å; E150-D154 PolarHBondContact O-N 2.85Å
155E85.1Confident86.4Confident148 Ų14866.1 Ų66.169%0.69234%0.341SS*.Hα-helixtrans-89.6-33.4178.3-172.8171.7-178.300113.6K151 V152 I153K151-E155 VanDerWaalsContact O-CB 3.31Å; K151-E155 WeakPolarHBondContact O-CB 3.48Å; K151-E155 PolarHBondContact O-N 3.44Å; K151-E155 VanDerWaalsContact O-N 3.07Å; V152-E155 PolarHBondContact O-N 3.35Å; I153-E155 PolarHBondContact O-N 2.86Å
156A84.4Confident86.5Confident6 Ų668.4 Ų68.45%0.0535%0.353CS..Hα-helixtrans-95.3-28.9-174.200000113.6V152 I153 L158 L164 D168 M172V152-A156 WeakPolarHBondContact O-CB 3.49Å; V152-A156 PolarHBondContact O-N 2.72Å; I153-A156 PolarHBondContact O-N 2.97Å; I153-A156 VanDerWaalsContact O-N 3.14Å; A156-L158 PolarHBondContact O-N 3.31Å; A156-L164 HydrophobicContact CB-CD1 4.02Å; A156-L164 HydrophobicContact CB-CD2 3.56Å; A156-L164 HydrophobicContact CB-CG 4.46Å; A156-D168 WeakPolarHBondContact O-CB 3.41Å; A156-M172 HydrophobicContact CB-CB 3.98Å; A156-M172 HydrophobicContact CB-CG 3.94Å; A156-M172 HydrophobicContact CB-SD 3.98Å
157D88.4Confident86.6Confident13 Ų1370.9 Ų70.97%0.0737%0.366CS..  trans-72.5105.5-178.9-177.6-4.8000110.3I153 D159 N160 D161 G162 L164I153-D157 HydrophobicContact CG2-CB 3.96Å; I153-D157 WeakPolarHBondContact O-CA 3.22Å; I153-D157 WeakPolarHBondContact O-CB 3.45Å; I153-D157 PolarHBondContact O-N 3Å; D157-D159 PolarHBondContact OD1-N 3.44Å; D157-N160 VanDerWaalsContact CG-CA 3.48Å; D157-N160 VanDerWaalsContact OD1-CA 3.23Å; D157-N160 WeakPolarHBondContact OD1-CA 3.48Å; D157-N160 PolarHBondContact OD1-N 3.45Å; D157-N160 VanDerWaalsContact OD2-CA 3.23Å; D157-N160 WeakPolarHBondContact OD2-CA 3.44Å; D157-D161 PolarHBondContact OD1-N 3.44Å; D157-D161 PolarHBondContact OD2-N 2.89Å; D157-G162 WeakPolarHBondContact OD2-CA 3.42Å; D157-G162 PolarHBondContact OD2-N 3.18Å; D157-L164 HydrophobicContact CB-CD2 3.84Å
158L86.1Confident86.7Confident90 Ų9066 Ų6647%0.47134%0.341SS..SBendtrans-84.1-29.4-177.3-62.2173.9000112.4A156 D168 H171A156-L158 PolarHBondContact O-N 3.31Å; L158-D168 VanDerWaalsContact CB-OD1 3.27Å; L158-D168 WeakPolarHBondContact CB-OD1 3.43Å; L158-D168 WeakPolarHBondContact CG-OD1 2.99Å; L158-D168 PolarHBondContact N-OD1 3.2Å; L158-D168 VanDerWaalsContact N-OD1 3.13Å; L158-H171 HydrophobicContact CD1-CB 3.91Å; L158-H171 VanDerWaalsContact CD1-CD2 3.45Å; L158-H171 WeakPolarHBondContact CD1-CD2 3.43Å
159D86.8Confident86.7Confident100 Ų10063.4 Ų63.454%0.53533%0.325SS..SBendtrans-99.4-5.4-175.675-1.3000113.7D157 D161D157-D159 PolarHBondContact OD1-N 3.44Å; D159-D161 VanDerWaalsContact C-N 3.29Å; D159-D161 WeakPolarHBondContact OD1-CB 3.3Å; D159-D161 PolarHBondContact OD1-N 2.83Å; D159-D161 VanDerWaalsContact OD1-N 3.16Å
160N84.6Confident86.7Confident131 Ų13165.9 Ų65.970%0.70134%0.337SS*.  trans59.734.5178.6-62.9-102.4000113D157 G162D157-N160 VanDerWaalsContact CG-CA 3.48Å; D157-N160 VanDerWaalsContact OD1-CA 3.23Å; D157-N160 WeakPolarHBondContact OD1-CA 3.48Å; D157-N160 PolarHBondContact OD1-N 3.45Å; D157-N160 VanDerWaalsContact OD2-CA 3.23Å; D157-N160 WeakPolarHBondContact OD2-CA 3.44Å; N160-G162 VanDerWaalsContact C-N 3.25Å
161D86.3Confident86.6Confident73 Ų7366.5 Ų66.539%0.3934%0.339SS..SBendtrans-80.9-6.9175.586.9-10.8000113.3D157 D159 R163D157-D161 PolarHBondContact OD1-N 3.44Å; D157-D161 PolarHBondContact OD2-N 2.89Å; D159-D161 VanDerWaalsContact C-N 3.29Å; D159-D161 WeakPolarHBondContact OD1-CB 3.3Å; D159-D161 PolarHBondContact OD1-N 2.83Å; D159-D161 VanDerWaalsContact OD1-N 3.16Å; D161-R163 VanDerWaalsContact C-N 3.35Å; D161-R163 WeakPolarHBondContact OD1-CA 3.48Å; D161-R163 WeakPolarHBondContact OD1-CB 3.37Å; D161-R163 PolarHBondContact OD1-N 3.29Å
162G84Confident86.5Confident39 Ų3962.7 Ų62.740%0.40232%0.324SS..SBendtrans81.812.6179.400000113.9D157 N160D157-G162 WeakPolarHBondContact OD2-CA 3.42Å; D157-G162 PolarHBondContact OD2-N 3.18Å; N160-G162 VanDerWaalsContact C-N 3.25Å
163R88Confident86.2Confident106 Ų10660.6 Ų60.640%0.431%0.311SS..SBendtrans-135166.4177.7-49.6-178.3-177.6-149.1-3108.2D120 F122 D161D120-R163 IonicContact OD2-NH1 3.5Å; D120-R163 PolarHBondContact OD2-NH1 3.43Å; F122-R163 HydrophobicContact CB-CB 4.13Å; F122-R163 HydrophobicContact CD1-CB 4.16Å; F122-R163 HydrophobicContact CG-CB 4.44Å; D161-R163 VanDerWaalsContact C-N 3.35Å; D161-R163 WeakPolarHBondContact OD1-CA 3.48Å; D161-R163 WeakPolarHBondContact OD1-CB 3.37Å; D161-R163 PolarHBondContact OD1-N 3.29Å
164L89.1Confident85.8Confident2 Ų265 Ų651%0.0134%0.335CS..BIsolated β-bridgetrans-112.2116.6174.1-56.5175.1000108.9F112 F122 I123 V152 I153 A156 D157 D168F112-L164 WeakPolarHBondContact CE2-O 3.5Å; F122-L164 WeakPolarHBondContact CA-O 3.47Å; I123-L164 HydrophobicContact CB-CB 4.17Å; I123-L164 PolarHBondContact N-O 3.06Å; I123-L164 PolarHBondContact O-N 3.12Å; V152-L164 HydrophobicContact CG1-CD1 4.44Å; I153-L164 HydrophobicContact CG1-CG 4.48Å; A156-L164 HydrophobicContact CB-CD1 4.02Å; A156-L164 HydrophobicContact CB-CD2 3.56Å; A156-L164 HydrophobicContact CB-CG 4.46Å; D157-L164 HydrophobicContact CB-CD2 3.84Å; L164-D168 HydrophobicContact CB-CB 4.32Å; L164-D168 HydrophobicContact CD2-CB 4.12Å
165S91.1Very high85.2Confident23 Ų2367.8 Ų67.816%0.16134%0.336CS..  trans-74.6170.4168.874.30000110.8E167 D168 F169S165-E167 PolarHBondContact O-N 2.75Å; S165-E167 PolarHBondContact OG-N 3.02Å; S165-D168 VanDerWaalsContact CB-OD2 3.31Å; S165-D168 WeakPolarHBondContact CB-OD2 3.5Å; S165-D168 PolarHBondContact N-OD2 3.35Å; S165-D168 PolarHBondContact O-N 3.15Å; S165-D168 PolarHBondContact OG-N 3.16Å; S165-D168 PolarHBondContact OG-OD2 2.99Å; S165-F169 WeakPolarHBondContact O-CB 3.32Å; S165-F169 PolarHBondContact O-N 2.96Å
166L88.1Confident84.5Confident52 Ų5262.6 Ų62.627%0.27232%0.319SS..Hα-helixtrans-56.3-37172.3178.966.4000111.9Y109 F112 F169 Q170Y109-L166 HydrophobicContact CD2-CD1 4.02Å; Y109-L166 HydrophobicContact CD2-CD2 3.78Å; Y109-L166 HydrophobicContact CE2-CD2 4.35Å; F112-L166 HydrophobicContact CB-CD1 3.8Å; F112-L166 HydrophobicContact CD1-CD1 4.16Å; F112-L166 HydrophobicContact CD2-CD1 4.34Å; F112-L166 HydrophobicContact CG-CD1 3.84Å; L166-F169 PolarHBondContact O-N 3.03Å; L166-Q170 HydrophobicContact CD1-CG 4.45Å; L166-Q170 WeakPolarHBondContact O-CB 3.19Å; L166-Q170 VanDerWaalsContact O-CG 3.3Å; L166-Q170 WeakPolarHBondContact O-CG 3.4Å; L166-Q170 PolarHBondContact O-N 3.39Å
167E88.4Confident83.5Confident141 Ų14166.2 Ų66.266%0.65934%0.342SS*.Hα-helixtrans-67.2-44.8-179.9-63.1-172168.400111.1S165 F169 Q170 H171S165-E167 PolarHBondContact O-N 2.75Å; S165-E167 PolarHBondContact OG-N 3.02Å; E167-F169 VanDerWaalsContact C-N 3.32Å; E167-F169 PolarHBondContact O-N 3.12Å; E167-Q170 PolarHBondContact O-N 3.14Å; E167-H171 PolarHBondContact O-CD2 3.18Å; E167-H171 PolarHBondContact O-N 3.29Å
168D88.7Confident82.6Confident6 Ų671.7 Ų71.73%0.03237%0.371CS..Hα-helixtrans-59.8-45175.2-60.8-54.2000111.1A156 L158 L164 S165 Q170 H171 M172A156-D168 WeakPolarHBondContact O-CB 3.41Å; L158-D168 VanDerWaalsContact CB-OD1 3.27Å; L158-D168 WeakPolarHBondContact CB-OD1 3.43Å; L158-D168 WeakPolarHBondContact CG-OD1 2.99Å; L158-D168 PolarHBondContact N-OD1 3.2Å; L158-D168 VanDerWaalsContact N-OD1 3.13Å; L164-D168 HydrophobicContact CB-CB 4.32Å; L164-D168 HydrophobicContact CD2-CB 4.12Å; S165-D168 VanDerWaalsContact CB-OD2 3.31Å; S165-D168 WeakPolarHBondContact CB-OD2 3.5Å; S165-D168 PolarHBondContact N-OD2 3.35Å; S165-D168 PolarHBondContact O-N 3.15Å; S165-D168 PolarHBondContact OG-N 3.16Å; S165-D168 PolarHBondContact OG-OD2 2.99Å; D168-Q170 PolarHBondContact O-N 2.66Å; D168-H171 WeakPolarHBondContact O-CB 3.41Å; D168-H171 PolarHBondContact O-N 3.01Å; D168-M172 WeakPolarHBondContact O-CB 3.35Å; D168-M172 PolarHBondContact O-N 3.24Å
169F85.7Confident81.6Confident5 Ų569.5 Ų69.52%0.02236%0.358CS..Hα-helixtrans-65.1-41179.3-169-105.2000112.3A108 A111 F112 I123 S165 L166 E167 H171 M172 I173 F179A108-F169 WeakPolarHBondContact O-CE1 3.15Å; A111-F169 HydrophobicContact CB-CE1 3.95Å; A111-F169 HydrophobicContact CB-CZ 4.28Å; F112-F169 HydrophobicContact CB-CD1 3.78Å; F112-F169 HydrophobicContact CB-CE1 3.99Å; F112-F169 HydrophobicContact CB-CG 4.44Å; F112-F169 HydrophobicContact CD2-CB 3.66Å; F112-F169 AromaticContact CD2-CD1 3.95Å; F112-F169 HydrophobicContact CD2-CD1 3.95Å; F112-F169 HydrophobicContact CD2-CD2 4.37Å; F112-F169 AromaticContact CD2-CG 3.76Å; F112-F169 HydrophobicContact CD2-CG 3.76Å; F112-F169 HydrophobicContact CE2-CB 4.2Å; F112-F169 HydrophobicContact CG-CD1 4.38Å; I123-F169 HydrophobicContact CD1-CD2 3.65Å; I123-F169 HydrophobicContact CD1-CE2 3.79Å; I123-F169 HydrophobicContact CD1-CG 4.23Å; I123-F169 HydrophobicContact CD1-CZ 4.46Å; S165-F169 WeakPolarHBondContact O-CB 3.32Å; S165-F169 PolarHBondContact O-N 2.96Å; L166-F169 PolarHBondContact O-N 3.03Å; E167-F169 VanDerWaalsContact C-N 3.32Å; E167-F169 PolarHBondContact O-N 3.12Å; F169-H171 VanDerWaalsContact C-N 3.34Å; F169-M172 HydrophobicContact CD2-CE 3.69Å; F169-M172 HydrophobicContact CE2-CE 3.55Å; F169-M172 HydrophobicContact CZ-CE 4.35Å; F169-M172 PolarHBondContact O-N 3.3Å; F169-I173 HydrophobicContact CD1-CD1 3.61Å; F169-I173 HydrophobicContact CD1-CG1 4.34Å; F169-I173 HydrophobicContact CE1-CD1 3.21Å; F169-I173 HydrophobicContact CE1-CG1 4.14Å; F169-I173 HydrophobicContact CG-CD1 4.5Å; F169-I173 HydrophobicContact CZ-CD1 3.8Å; F169-I173 HydrophobicContact CZ-CG1 4.41Å; F169-I173 WeakPolarHBondContact O-CB 3.48Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.4Å; F169-F179 HydrophobicContact CZ-CE1 4.03Å; F169-F179 HydrophobicContact CZ-CZ 4.01Å
170Q85.8Confident80.4Confident54 Ų5465.8 Ų65.825%0.25234%0.337SS..Hα-helixtrans-62.6-41.4173.1-77.2-179.4-12.200111.6A108 L166 E167 D168 I173 N174A108-Q170 HydrophobicContact CB-CG 3.98Å; L166-Q170 HydrophobicContact CD1-CG 4.45Å; L166-Q170 WeakPolarHBondContact O-CB 3.19Å; L166-Q170 VanDerWaalsContact O-CG 3.3Å; L166-Q170 WeakPolarHBondContact O-CG 3.4Å; L166-Q170 PolarHBondContact O-N 3.39Å; E167-Q170 PolarHBondContact O-N 3.14Å; D168-Q170 PolarHBondContact O-N 2.66Å; Q170-I173 PolarHBondContact O-N 3.04Å; Q170-N174 WeakPolarHBondContact O-CB 3.32Å; Q170-N174 PolarHBondContact O-N 3.49Å; Q170-N174 PolarHBondContact O-ND2 3.03Å
171H85Confident79.2Confident105 Ų10562.6 Ų62.649%0.48633%0.325SS..Hα-helixtrans-63.4-42.8175.1-85.6-63.1000112.4L158 E167 D168 F169 N174 R175L158-H171 HydrophobicContact CD1-CB 3.91Å; L158-H171 VanDerWaalsContact CD1-CD2 3.45Å; L158-H171 WeakPolarHBondContact CD1-CD2 3.43Å; E167-H171 PolarHBondContact O-CD2 3.18Å; E167-H171 PolarHBondContact O-N 3.29Å; D168-H171 WeakPolarHBondContact O-CB 3.41Å; D168-H171 PolarHBondContact O-N 3.01Å; F169-H171 VanDerWaalsContact C-N 3.34Å; H171-N174 PolarHBondContact O-N 3.48Å; H171-R175 PolarHBondContact O-N 3.48Å
172M82.6Confident78.1Confident45 Ų4564.4 Ų64.422%0.22234%0.339CS..Hα-helixtrans-60.9-48175.3-174.6-1607100111.4V152 A156 D168 F169 N174 R175 A176V152-M172 HydrophobicContact CG1-SD 4.39Å; A156-M172 HydrophobicContact CB-CB 3.98Å; A156-M172 HydrophobicContact CB-CG 3.94Å; A156-M172 HydrophobicContact CB-SD 3.98Å; D168-M172 WeakPolarHBondContact O-CB 3.35Å; D168-M172 PolarHBondContact O-N 3.24Å; F169-M172 HydrophobicContact CD2-CE 3.69Å; F169-M172 HydrophobicContact CE2-CE 3.55Å; F169-M172 HydrophobicContact CZ-CE 4.35Å; F169-M172 PolarHBondContact O-N 3.3Å; M172-N174 VanDerWaalsContact C-N 3.3Å; M172-N174 PolarHBondContact O-N 2.89Å; M172-R175 WeakPolarHBondContact O-CB 3.16Å; M172-R175 PolarHBondContact O-N 3.42Å; M172-A176 PolarHBondContact O-N 2.85Å
173I79.8Confident76.9Confident3 Ų363.7 Ų63.72%0.01533%0.325CS..Hα-helixtrans-60.5-39.8178-77.2-180000111.8A108 F169 Q170 R175 A176 F179 L180A108-I173 HydrophobicContact CB-CD1 3.75Å; F169-I173 HydrophobicContact CD1-CD1 3.61Å; F169-I173 HydrophobicContact CD1-CG1 4.34Å; F169-I173 HydrophobicContact CE1-CD1 3.21Å; F169-I173 HydrophobicContact CE1-CG1 4.14Å; F169-I173 HydrophobicContact CG-CD1 4.5Å; F169-I173 HydrophobicContact CZ-CD1 3.8Å; F169-I173 HydrophobicContact CZ-CG1 4.41Å; F169-I173 WeakPolarHBondContact O-CB 3.48Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.4Å; Q170-I173 PolarHBondContact O-N 3.04Å; I173-R175 PolarHBondContact O-N 2.84Å; I173-A176 CarbonylContact O-C 3.21Å; I173-A176 PolarHBondContact O-N 3.36Å; I173-A176 VanDerWaalsContact O-N 3.16Å; I173-F179 HydrophobicContact CD1-CD1 3.86Å; I173-F179 HydrophobicContact CD1-CE1 3.76Å; I173-F179 HydrophobicContact CG1-CD1 3.74Å; I173-F179 HydrophobicContact CG1-CE1 4.04Å; I173-L180 HydrophobicContact CG2-CD1 3.4Å; I173-L180 VanDerWaalsContact CG2-CD1 3.4Å; I173-L180 HydrophobicContact CG2-CD2 3.93Å; I173-L180 HydrophobicContact CG2-CG 3.48Å; I173-L180 VanDerWaalsContact CG2-CG 3.48Å
174N76.7Confident75.5Confident96 Ų9661.9 Ų61.951%0.51332%0.321SS..Hα-helixtrans-65-28.5177.1-79.4-43.5000112.7Q170 H171 M172Q170-N174 WeakPolarHBondContact O-CB 3.32Å; Q170-N174 PolarHBondContact O-N 3.49Å; Q170-N174 PolarHBondContact O-ND2 3.03Å; H171-N174 PolarHBondContact O-N 3.48Å; M172-N174 VanDerWaalsContact C-N 3.3Å; M172-N174 PolarHBondContact O-N 2.89Å
175R74.7Confident74Confident185 Ų18562.8 Ų62.870%0.69833%0.326SS*.Hα-helixtrans-80.8-25.8173.5-74.5179.9162.3175.2-1.7113.2H171 M172 I173 P177H171-R175 PolarHBondContact O-N 3.48Å; M172-R175 WeakPolarHBondContact O-CB 3.16Å; M172-R175 PolarHBondContact O-N 3.42Å; I173-R175 PolarHBondContact O-N 2.84Å; R175-P177 VanDerWaalsContact C-CD 3.48Å; R175-P177 VanDerWaalsContact O-CD 3.23Å; R175-P177 WeakPolarHBondContact O-CD 3.28Å
176A69.4Low72Confident40 Ų4070.8 Ų70.833%0.33135%0.352SS..  trans-115.873.8-179.400000111.8M172 I173 D178 F179M172-A176 PolarHBondContact O-N 2.85Å; I173-A176 CarbonylContact O-C 3.21Å; I173-A176 PolarHBondContact O-N 3.36Å; I173-A176 VanDerWaalsContact O-N 3.16Å; A176-D178 PolarHBondContact O-N 3.36Å; A176-D178 VanDerWaalsContact O-N 3.09Å; A176-F179 HydrophobicContact CB-CB 4.46Å; A176-F179 VanDerWaalsContact O-CB 3.3Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 3.46Å
177P64.7Low69.9Low82 Ų8273 Ų7353%0.53236%0.364SS..Hα-helixtrans-60.8-24.1-177.525-34.4000113.5R175 F179 L180 S181R175-P177 VanDerWaalsContact C-CD 3.48Å; R175-P177 VanDerWaalsContact O-CD 3.23Å; R175-P177 WeakPolarHBondContact O-CD 3.28Å; P177-F179 PolarHBondContact O-N 3.42Å; P177-L180 PolarHBondContact O-N 3.3Å; P177-S181 PolarHBondContact O-N 3.01Å
178D68Low68.9Low127 Ų12769.7 Ų69.768%0.67935%0.349SS*.Hα-helixtrans-64.6-27.5176.7-64.2-29.8000112.2A176 S181A176-D178 PolarHBondContact O-N 3.36Å; A176-D178 VanDerWaalsContact O-N 3.09Å; D178-S181 WeakPolarHBondContact O-CB 3.42Å; D178-S181 PolarHBondContact O-N 3.5Å; D178-S181 PolarHBondContact O-OG 2.88Å
179F66.6Low67.9Low45 Ų4573 Ų7320%0.19737%0.366CS..Hα-helixtrans-61.9-49.7178.3-177-95.7000111.4A111 Y115 F169 I173 A176 P177 S181 T182A111-F179 HydrophobicContact CB-CE1 4.34Å; Y115-F179 HydrophobicContact CE1-CE2 4.42Å; Y115-F179 HydrophobicContact CE1-CZ 4.34Å; Y115-F179 AromaticContact CE2-CZ 3.89Å; Y115-F179 HydrophobicContact CE2-CZ 3.89Å; Y115-F179 AromaticContact CZ-CE2 3.89Å; Y115-F179 AromaticContact CZ-CZ 3.62Å; Y115-F179 VanDerWaalsContact OH-CE2 3.3Å; Y115-F179 WeakPolarHBondContact OH-CE2 3.46Å; Y115-F179 WeakPolarHBondContact OH-CZ 3.35Å; F169-F179 HydrophobicContact CZ-CE1 4.03Å; F169-F179 HydrophobicContact CZ-CZ 4.01Å; I173-F179 HydrophobicContact CD1-CD1 3.86Å; I173-F179 HydrophobicContact CD1-CE1 3.76Å; I173-F179 HydrophobicContact CG1-CD1 3.74Å; I173-F179 HydrophobicContact CG1-CE1 4.04Å; A176-F179 HydrophobicContact CB-CB 4.46Å; A176-F179 VanDerWaalsContact O-CB 3.3Å; A176-F179 WeakPolarHBondContact O-CB 3.29Å; A176-F179 PolarHBondContact O-N 3.46Å; P177-F179 PolarHBondContact O-N 3.42Å; F179-S181 PolarHBondContact O-N 2.98Å; F179-T182 PolarHBondContact O-N 2.82Å; F179-T182 VanDerWaalsContact O-N 3.16Å; F179-T182 PolarHBondContact O-OG1 3.15Å
180L61.1Low66.9Low21 Ų2176.8 Ų76.811%0.1139%0.385CS..Hα-helixtrans-66.4-27.2177.6-72173.7000112.8R104 K107 I173 P177 T182 F183R104-L180 HydrophobicContact CB-CD1 4.12Å; R104-L180 HydrophobicContact CG-CD1 4.01Å; K107-L180 HydrophobicContact CB-CD2 4.06Å; I173-L180 HydrophobicContact CG2-CD1 3.4Å; I173-L180 VanDerWaalsContact CG2-CD1 3.4Å; I173-L180 HydrophobicContact CG2-CD2 3.93Å; I173-L180 HydrophobicContact CG2-CG 3.48Å; I173-L180 VanDerWaalsContact CG2-CG 3.48Å; P177-L180 PolarHBondContact O-N 3.3Å; L180-T182 PolarHBondContact O-N 2.58Å; L180-F183 PolarHBondContact O-N 3.01Å; L180-F183 VanDerWaalsContact O-N 3.1Å
181S59.6Low65.8Low64 Ų6478.1 Ų78.145%0.44839%0.393SS..Hα-helixtrans-63.7-24.3176.983.80000112.6P177 D178 F179 H184P177-S181 PolarHBondContact O-N 3.01Å; D178-S181 WeakPolarHBondContact O-CB 3.42Å; D178-S181 PolarHBondContact O-N 3.5Å; D178-S181 PolarHBondContact O-OG 2.88Å; F179-S181 PolarHBondContact O-N 2.98Å; S181-H184 PolarHBondContact O-CD2 2.95Å; S181-H184 PolarHBondContact O-NE2 2.98Å
182T63Low64.6Low111 Ų11176.4 Ų76.468%0.68139%0.387SS*.Hα-helixtrans-91.9-11.1176.166.70000113.5F179 L180 H184F179-T182 PolarHBondContact O-N 2.82Å; F179-T182 VanDerWaalsContact O-N 3.16Å; F179-T182 PolarHBondContact O-OG1 3.15Å; L180-T182 PolarHBondContact O-N 2.58Å; T182-H184 PolarHBondContact O-N 3.23Å
183F59.8Low63.4Low25 Ų2578.5 Ų78.511%0.1140%0.398CS..SBendtrans-97.459-176.6-153.5-93.3000111.5L98 K107 A111 I114 L180L98-F183 HydrophobicContact CD2-CD1 4.21Å; L98-F183 HydrophobicContact CD2-CE1 3.8Å; L98-F183 HydrophobicContact CD2-CZ 4.33Å; K107-F183 HydrophobicContact CB-CD1 4.49Å; A111-F183 HydrophobicContact CB-CD2 4.35Å; A111-F183 HydrophobicContact CB-CE1 4.19Å; A111-F183 HydrophobicContact CB-CE2 3.91Å; A111-F183 HydrophobicContact CB-CZ 3.83Å; I114-F183 HydrophobicContact CD1-CE2 4.31Å; I114-F183 HydrophobicContact CD1-CZ 3.69Å; L180-F183 PolarHBondContact O-N 3.01Å; L180-F183 VanDerWaalsContact O-N 3.1Å
184H58.1Low62.2Low67 Ų6783.9 Ų83.931%0.3143%0.425SS..  trans-142.5145.1174.167.751.9000111.1S181 T182S181-H184 PolarHBondContact O-CD2 2.95Å; S181-H184 PolarHBondContact O-NE2 2.98Å; T182-H184 PolarHBondContact O-N 3.23Å
185I57.8Low61.1Low21 Ų2183 Ų8311%0.10842%0.418CS..  trans-108.8123.8167.3-64.3-169.8000107.6E64 L65 F95 L98 I187E64-I185 HydrophobicContact CB-CD1 4.37Å; E64-I185 HydrophobicContact CB-CG2 3.77Å; E64-I185 HydrophobicContact CG-CG2 3.88Å; L65-I185 HydrophobicContact CD2-CD1 3.85Å; F95-I185 HydrophobicContact CE1-CG2 4.3Å; L98-I185 HydrophobicContact CB-CB 4.22Å; L98-I185 HydrophobicContact CB-CG1 4.28Å; L98-I185 HydrophobicContact CD1-CD1 3.54Å; L98-I185 HydrophobicContact CD1-CG1 3.99Å; L98-I185 PolarHBondContact O-N 3.2Å; I185-I187 PolarHBondContact O-N 3.11Å
186R48.5Very low60Low191 Ų19174.5 Ų74.572%0.72140%0.395SS*.  trans-81.6113.8172.2-71.2-174.5179.5165.94.5108.5E100E100-R186 IonicContact OE1-NE 3.93Å
187I43.5Very low59.1Low100 Ų10077.6 Ų77.651%0.51340%0.401SS..  trans-86.60180-56.8171.5000111F22 L30 R33 F95 I185F22-I187 HydrophobicContact CE1-CD1 4.22Å; F22-I187 HydrophobicContact CZ-CD1 3.99Å; L30-I187 HydrophobicContact CD2-CD1 4.44Å; L30-I187 HydrophobicContact CD2-CG2 4.26Å; R33-I187 PolarHBondContact NH1-OXT 2.99Å; R33-I187 PolarHBondContact NH2-OXT 3.21Å; F95-I187 HydrophobicContact CB-CD1 3.84Å; F95-I187 HydrophobicContact CD1-CD1 3.31Å; F95-I187 HydrophobicContact CD1-CG1 3.59Å; F95-I187 HydrophobicContact CE1-CD1 4.16Å; F95-I187 HydrophobicContact CE1-CG1 3.96Å; F95-I187 HydrophobicContact CG-CD1 3.9Å; I185-I187 PolarHBondContact O-N 3.11Å

Retrieved 187 of 187 residues in 1664.9 ms (Link to these results)

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