A0A096NG96_PAPAN Loading...

phosphorylase kinase

AlphaFold DB (A0A2K5ZHT4), UniProt , Accession A0A096NG96, Species PAPAN (Papio anubis, Olive baboon), Gene PHKG1, Length 387 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
1M33.2Very low42.4Very low246 Ų246134.4 Ų134.4100%1.21270%0.704SS**  074.90-79.5176.9177.400108
2T30.4Very low44.9Very low137 Ų137125.2 Ų125.284%0.8466%0.659SS**  trans-83.1116.2164.736.90000105.6D4T2-D4 PolarHBondContact O-N 3.01Å
3R31.1Very low47.3Very low238 Ų238117.2 Ų117.290%0.89862%0.623SS**  trans-59118.8170.2-91.2174.4162.1169.3-6.7107E5R3-E5 VanDerWaalsContact C-N 3.32Å; R3-E5 PolarHBondContact O-N 3.23Å
4D36.3Very low49.6Very low162 Ų162115.3 Ų115.387%0.86661%0.608SS**  trans-59.8100.2158.8-87.4-36.8000107.1T2 A6T2-D4 PolarHBondContact O-N 3.01Å; D4-A6 PolarHBondContact O-N 3.12Å
5E38.8Very low52.1Low181 Ų181112.1 Ų112.185%0.84659%0.592SS**  trans-69.490158.6-73.9-17816500106.4R3 L7R3-E5 VanDerWaalsContact C-N 3.32Å; R3-E5 PolarHBondContact O-N 3.23Å; E5-L7 PolarHBondContact O-N 2.79Å; E5-L7 VanDerWaalsContact O-N 3.09Å
6A39.9Very low54.7Low72 Ų72105.1 Ų105.160%0.59556%0.555SS**  trans-54.8116.7167.800000108.1D4D4-A6 PolarHBondContact O-N 3.12Å
7L37.9Very low56.9Low127 Ų127105.9 Ų105.967%0.66555%0.549SS*.  trans-54.1129.8177.3-71.9157.1000109E5 D9E5-L7 PolarHBondContact O-N 2.79Å; E5-L7 VanDerWaalsContact O-N 3.09Å; L7-D9 PolarHBondContact O-N 3.15Å
8P46.1Very low58.9Low98 Ų98105.7 Ų105.764%0.63655%0.546SS*.THydrogen-bonded Turntrans-56-16.7178.1-23.932.3000114.3
9D52.6Low60.8Low45 Ų45103.1 Ų103.124%0.24153%0.533CS..Hα-helixtrans-67.1-32.8-173.1-76-41.7000115.5L7 N97L7-D9 PolarHBondContact O-N 3.15Å; D9-N97 WeakPolarHBondContact OD1-CB 3.38Å; D9-N97 PolarHBondContact OD1-N 3.38Å; D9-N97 PolarHBondContact OD1-ND2 2.79Å; D9-N97 PolarHBondContact OD2-ND2 3.32Å
10S57.7Low62.6Low63 Ų6398.2 Ų98.244%0.44151%0.507SS..Hα-helixtrans-72.8-36.7-178.873.40000111.2Q14S10-Q14 WeakPolarHBondContact O-CB 3.37Å; S10-Q14 PolarHBondContact O-N 3.48Å
11H62.4Low64.2Low109 Ų10997.7 Ų97.751%0.50550%0.503SS..Hα-helixtrans-65-50.5-170.1-83.3-73000112.8Q14 D15H11-Q14 CarbonylContact O-C 3.56Å; H11-Q14 WeakPolarHBondContact O-CB 3.41Å; H11-Q14 PolarHBondContact O-N 3.47Å; H11-D15 WeakPolarHBondContact O-CB 3.47Å; H11-D15 PolarHBondContact O-N 2.95Å
12S72.6Confident67.2Low24 Ų2487.3 Ų87.317%0.16845%0.453CS..Hα-helixtrans-72.5-35.1-176.5173.20000113.5Q14 D15 F16 E95S12-Q14 VanDerWaalsContact C-N 3.35Å; S12-D15 PolarHBondContact O-N 2.62Å; S12-F16 PolarHBondContact O-N 2.82Å; S12-E95 WeakPolarHBondContact CB-O 3.3Å; S12-E95 VanDerWaalsContact OG-C 3.27Å; S12-E95 PolarHBondContact OG-N 3.4Å; S12-E95 PolarHBondContact OG-O 2.82Å
13A75.9Confident70.3Confident22 Ų2283.5 Ų83.518%0.18243%0.425CS..Hα-helixtrans-64.4-43.4169.400000110.9D15 F16 Y17 T96A13-D15 VanDerWaalsContact C-N 3.31Å; A13-D15 PolarHBondContact O-N 2.53Å; A13-F16 PolarHBondContact O-N 3.26Å; A13-Y17 WeakPolarHBondContact O-CD2 3.33Å; A13-Y17 PolarHBondContact O-N 3.22Å; A13-T96 HydrophobicContact CB-CG2 3.84Å
14Q79.4Confident73.4Confident90 Ų9076.8 Ų76.842%0.42140%0.404SS..Hα-helixtrans-62.5-40.1177.6-174.7175.7-17.400110.9S10 H11 S12 F16 Y17 E18S10-Q14 WeakPolarHBondContact O-CB 3.37Å; S10-Q14 PolarHBondContact O-N 3.48Å; H11-Q14 CarbonylContact O-C 3.56Å; H11-Q14 WeakPolarHBondContact O-CB 3.41Å; H11-Q14 PolarHBondContact O-N 3.47Å; S12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-F16 VanDerWaalsContact C-N 3.32Å; Q14-F16 PolarHBondContact O-N 2.83Å; Q14-Y17 CarbonylContact O-C 3.5Å; Q14-Y17 PolarHBondContact O-N 3.23Å; Q14-Y17 VanDerWaalsContact O-N 3.14Å; Q14-E18 HydrophobicContact CG-CG 4.16Å; Q14-E18 VanDerWaalsContact CG-OE1 3.31Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.24Å; Q14-E18 PolarHBondContact NE2-OE1 3.14Å; Q14-E18 VanDerWaalsContact O-CB 3.32Å; Q14-E18 WeakPolarHBondContact O-CB 3.39Å; Q14-E18 VanDerWaalsContact O-CG 3.24Å; Q14-E18 WeakPolarHBondContact O-CG 3.43Å; Q14-E18 PolarHBondContact O-N 2.74Å
15D87.4Confident76.3Confident67 Ų6772.5 Ų72.536%0.35838%0.38SS..Hα-helixtrans-59.5-40.6175.7-66.1-21.4000111.8H11 S12 A13 N19 Y94H11-D15 WeakPolarHBondContact O-CB 3.47Å; H11-D15 PolarHBondContact O-N 2.95Å; S12-D15 PolarHBondContact O-N 2.62Å; A13-D15 VanDerWaalsContact C-N 3.31Å; A13-D15 PolarHBondContact O-N 2.53Å; D15-N19 PolarHBondContact O-N 3.37Å; D15-N19 PolarHBondContact O-ND2 2.77Å; D15-Y94 HydrophobicContact CB-CD1 3.96Å; D15-Y94 HydrophobicContact CB-CE1 3.93Å
16F92.4Very high78.8Confident1 Ų168.1 Ų68.10%0.00436%0.362CS..Hα-helixtrans-62.1-53.3172170.3-99.6000110.9S12 A13 Q14 E18 N19 Y20 P22 V48 Y94 F101 V103S12-F16 PolarHBondContact O-N 2.82Å; A13-F16 PolarHBondContact O-N 3.26Å; Q14-F16 VanDerWaalsContact C-N 3.32Å; Q14-F16 PolarHBondContact O-N 2.83Å; F16-E18 PolarHBondContact O-N 3.28Å; F16-N19 PolarHBondContact O-N 2.91Å; F16-Y20 HydrophobicContact CD2-CD2 4.04Å; F16-Y20 HydrophobicContact CD2-CG 4.27Å; F16-Y20 HydrophobicContact CE2-CD2 4.1Å; F16-Y20 AromaticContact CE2-CG 3.89Å; F16-Y20 HydrophobicContact CE2-CG 3.89Å; F16-Y20 WeakPolarHBondContact O-CB 3.32Å; F16-Y20 PolarHBondContact O-N 3.48Å; F16-P22 HydrophobicContact CE1-CG 4.3Å; F16-V48 HydrophobicContact CE2-CB 4.25Å; F16-V48 HydrophobicContact CE2-CG1 4.49Å; F16-V48 HydrophobicContact CE2-CG2 3.76Å; F16-V48 HydrophobicContact CZ-CB 4.27Å; F16-V48 HydrophobicContact CZ-CG1 4.02Å; F16-V48 HydrophobicContact CZ-CG2 3.96Å; F16-Y94 HydrophobicContact CB-CD1 4.1Å; F16-Y94 HydrophobicContact CB-CD2 3.87Å; F16-Y94 HydrophobicContact CB-CE1 4.47Å; F16-Y94 HydrophobicContact CB-CE2 4.26Å; F16-Y94 HydrophobicContact CB-CG 3.79Å; F16-Y94 AromaticContact CD2-CD2 3.75Å; F16-Y94 HydrophobicContact CD2-CD2 3.75Å; F16-Y94 AromaticContact CD2-CE2 3.85Å; F16-Y94 HydrophobicContact CD2-CE2 3.85Å; F16-Y94 HydrophobicContact CG-CD2 4.29Å; F16-F101 HydrophobicContact CB-CG 4.4Å; F16-F101 AromaticContact CD1-CD1 3.73Å; F16-F101 HydrophobicContact CD1-CD1 3.73Å; F16-F101 AromaticContact CD1-CE1 3.88Å; F16-F101 HydrophobicContact CD1-CE1 3.88Å; F16-F101 HydrophobicContact CD1-CG 4.34Å; F16-F101 HydrophobicContact CD2-CB 4.07Å; F16-F101 HydrophobicContact CD2-CD1 4.21Å; F16-F101 HydrophobicContact CD2-CG 4.27Å; F16-F101 AromaticContact CE1-CD1 3.92Å; F16-F101 HydrophobicContact CE1-CD1 3.92Å; F16-F101 HydrophobicContact CE1-CE1 4.13Å; F16-F101 HydrophobicContact CE2-CB 4.49Å; F16-F101 HydrophobicContact CE2-CD1 4.37Å; F16-F101 HydrophobicContact CG-CB 4.32Å; F16-F101 AromaticContact CG-CD1 3.9Å; F16-F101 HydrophobicContact CG-CD1 3.9Å; F16-F101 HydrophobicContact CG-CE1 4.4Å; F16-F101 HydrophobicContact CG-CG 4.05Å; F16-F101 HydrophobicContact CZ-CD1 4.25Å; F16-V103 HydrophobicContact CE2-CG2 4.19Å
17Y92.8Very high81.1Confident118 Ų11865.9 Ų65.946%0.46335%0.346SS..Hα-helixtrans-68.7-18.8-177.7-73.1-69.2000113.6A13 Q14 P22 K40A13-Y17 WeakPolarHBondContact O-CD2 3.33Å; A13-Y17 PolarHBondContact O-N 3.22Å; Q14-Y17 CarbonylContact O-C 3.5Å; Q14-Y17 PolarHBondContact O-N 3.23Å; Q14-Y17 VanDerWaalsContact O-N 3.14Å; Y17-P22 HydrophobicContact CD1-CG 4.24Å; Y17-P22 HydrophobicContact CE1-CG 3.78Å; Y17-K40 WeakPolarHBondContact O-CE 3.4Å; Y17-K40 PolarHBondContact O-NZ 2.88Å
18E93.1Very high83.5Confident103 Ų10369.3 Ų69.348%0.48135%0.35SS..Hα-helixtrans-72.8-45172.5-80.6179.6-171.900110.5Q14 F16 K40Q14-E18 HydrophobicContact CG-CG 4.16Å; Q14-E18 VanDerWaalsContact CG-OE1 3.31Å; Q14-E18 WeakPolarHBondContact CG-OE1 3.24Å; Q14-E18 PolarHBondContact NE2-OE1 3.14Å; Q14-E18 VanDerWaalsContact O-CB 3.32Å; Q14-E18 WeakPolarHBondContact O-CB 3.39Å; Q14-E18 VanDerWaalsContact O-CG 3.24Å; Q14-E18 WeakPolarHBondContact O-CG 3.43Å; Q14-E18 PolarHBondContact O-N 2.74Å; F16-E18 PolarHBondContact O-N 3.28Å; E18-K40 WeakPolarHBondContact O-CD 3.27Å; E18-K40 WeakPolarHBondContact O-CE 3.44Å; E18-K40 PolarHBondContact O-NZ 2.92Å
19N94.9Very high85.2Confident56 Ų5666.8 Ų66.830%0.29934%0.342SS..Hα-helixtrans-87-30.4-176.7-67.8-61.1000114.3D15 F16 H39 K40D15-N19 PolarHBondContact O-N 3.37Å; D15-N19 PolarHBondContact O-ND2 2.77Å; F16-N19 PolarHBondContact O-N 2.91Å; N19-H39 PolarHBondContact O-CD2 3.47Å; N19-K40 PolarHBondContact O-N 2.75Å
20Y97.3Very high86.3Confident4 Ų473.2 Ų73.22%0.01638%0.375CS..EExtended strand (participates in β ladder)trans-124.1143.5-172.2-70.5-88.6000112.4F16 C37 I38 H39 Y46 D92 Y94 V103F16-Y20 HydrophobicContact CD2-CD2 4.04Å; F16-Y20 HydrophobicContact CD2-CG 4.27Å; F16-Y20 HydrophobicContact CE2-CD2 4.1Å; F16-Y20 AromaticContact CE2-CG 3.89Å; F16-Y20 HydrophobicContact CE2-CG 3.89Å; F16-Y20 WeakPolarHBondContact O-CB 3.32Å; F16-Y20 PolarHBondContact O-N 3.48Å; Y20-C37 HydrophobicContact CD1-CB 4.46Å; Y20-I38 CarbonylContact C-O 3.55Å; Y20-I38 WeakPolarHBondContact CA-O 3.37Å; Y20-H39 HydrophobicContact CD1-CB 3.98Å; Y20-H39 HydrophobicContact CE1-CB 3.56Å; Y20-H39 AromaticContact CE1-CD2 3.78Å; Y20-H39 AromaticContact CE1-CG 3.97Å; Y20-H39 AromaticContact CE2-CD2 3.88Å; Y20-H39 AromaticContact CZ-CD2 3.53Å; Y20-Y46 AromaticContact CE1-CD2 3.78Å; Y20-Y46 HydrophobicContact CE1-CD2 3.78Å; Y20-Y46 HydrophobicContact CE1-CE2 4.3Å; Y20-Y46 HydrophobicContact CE1-CG 4.41Å; Y20-D92 HydrophobicContact CE2-CB 4.44Å; Y20-D92 WeakPolarHBondContact CE2-OD2 3.35Å; Y20-D92 PolarHBondContact OH-OD2 2.74Å; Y20-Y94 HydrophobicContact CD2-CE2 4.13Å; Y20-Y94 HydrophobicContact CE2-CE2 4.02Å; Y20-Y94 WeakPolarHBondContact CE2-OH 3.45Å; Y20-V103 HydrophobicContact CE1-CG1 3.75Å; Y20-V103 HydrophobicContact CE1-CG2 4.45Å; Y20-V103 HydrophobicContact CE2-CG2 4.24Å
21E96.3Very high87.5Confident89 Ų8972 Ų7242%0.41637%0.366SS..EExtended strand (participates in β ladder)trans-111.9106172.5-166-165.1168.300109.9K23 C37 I38 K40E21-K23 VanDerWaalsContact CD-CE 3.49Å; E21-K23 IonicContact OE1-NZ 2.69Å; E21-K23 PolarHBondContact OE1-NZ 2.93Å; E21-K23 WeakPolarHBondContact OE2-CE 3.31Å; E21-K23 IonicContact OE2-NZ 2.9Å; E21-K23 PolarHBondContact OE2-NZ 3.43Å; E21-C37 CarbonylContact O-C 3.49Å; E21-C37 VanDerWaalsContact O-CA 3.26Å; E21-C37 WeakPolarHBondContact O-CA 3.49Å; E21-I38 PolarHBondContact N-O 3.36Å; E21-I38 PolarHBondContact O-N 2.99Å; E21-K40 HydrophobicContact CB-CG 4.35Å
22P95.5Very high88.9Confident28 Ų2868.1 Ų68.118%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-72.2144.1177.925.4-28.9000112.1F16 Y17F16-P22 HydrophobicContact CE1-CG 4.3Å; Y17-P22 HydrophobicContact CD1-CG 4.24Å; Y17-P22 HydrophobicContact CE1-CG 3.78Å
23K96.7Very high89.9Confident57 Ų5768.6 Ų68.625%0.24835%0.353CS..EExtended strand (participates in β ladder)trans-121.7-141.7-175-57.3-65.5-174.7178.50110.3E21 R35 R36 I38E21-K23 VanDerWaalsContact CD-CE 3.49Å; E21-K23 IonicContact OE1-NZ 2.69Å; E21-K23 PolarHBondContact OE1-NZ 2.93Å; E21-K23 WeakPolarHBondContact OE2-CE 3.31Å; E21-K23 IonicContact OE2-NZ 2.9Å; E21-K23 PolarHBondContact OE2-NZ 3.43Å; K23-R35 VanDerWaalsContact O-CZ 3.3Å; K23-R35 PolarHBondContact O-NE 2.9Å; K23-R35 PolarHBondContact O-NH2 3.22Å; K23-R36 WeakPolarHBondContact CA-O 3.49Å; K23-R36 HydrophobicContact CB-CB 4.32Å; K23-R36 WeakPolarHBondContact CB-O 3.48Å; K23-R36 PolarHBondContact N-O 2.8Å; K23-I38 HydrophobicContact CD-CD1 4.5Å; K23-I38 HydrophobicContact CG-CD1 4.42Å; K23-I38 HydrophobicContact CG-CG1 4.24Å
24E96.1Very high90.8Very high97 Ų9769.6 Ų69.645%0.45336%0.357SS..EExtended strand (participates in β ladder)trans-64158.5179.970.5-80.8-174.100113.2R35 R36E24-R35 VanDerWaalsContact O-CA 3.31Å; E24-R35 WeakPolarHBondContact O-CA 3.36Å; E24-R35 WeakPolarHBondContact O-CB 3.47Å; E24-R36 VanDerWaalsContact CD-NE 3.33Å; E24-R36 PolarHBondContact O-N 2.84Å; E24-R36 IonicContact OE1-CZ 3.25Å; E24-R36 IonicContact OE1-NE 3.37Å; E24-R36 PolarHBondContact OE1-NE 2.95Å; E24-R36 IonicContact OE1-NH2 2.65Å; E24-R36 PolarHBondContact OE1-NH2 3.05Å; E24-R36 IonicContact OE2-CZ 3Å; E24-R36 IonicContact OE2-NE 3.59Å; E24-R36 PolarHBondContact OE2-NE 3.08Å; E24-R36 IonicContact OE2-NH2 3.84Å; E24-R36 PolarHBondContact OE2-NH2 2.82Å
25I95.7Very high91.7Very high71 Ų7169.2 Ų69.236%0.36435%0.352SS..EExtended strand (participates in β ladder)trans-80.6130.7175.2-64.7170.5000108.3G27 R28 V33 R35I25-G27 WeakPolarHBondContact CG2-O 2.95Å; I25-R28 HydrophobicContact CG2-CG 4.04Å; I25-V33 HydrophobicContact CB-CG2 4.44Å; I25-V33 HydrophobicContact CD1-CG2 4.07Å; I25-V33 HydrophobicContact CG1-CG2 3.94Å; I25-V33 HydrophobicContact CG2-CG2 3.73Å; I25-R35 HydrophobicContact CG1-CG 4.01Å
26L92Very high92.1Very high89 Ų8968 Ų6847%0.46634%0.342SS..EExtended strand (participates in β ladder)trans-95.6-34.9175.2-58.1177.6000111.2V34 R36 A47 L106L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.09Å; L26-R36 HydrophobicContact CD1-CB 4.09Å; L26-R36 HydrophobicContact CD2-CB 4.23Å; L26-R36 HydrophobicContact CG-CB 4.24Å; L26-A47 HydrophobicContact CD1-CB 4.22Å; L26-L106 HydrophobicContact CD1-CD1 3.61Å
27G88.5Confident92.4Very high26 Ų2668 Ų6827%0.26834%0.342SS..EExtended strand (participates in β ladder)trans-160.5161.6-178.500000113I25 V34I25-G27 WeakPolarHBondContact CG2-O 2.95Å; G27-V34 PolarHBondContact N-O 2.9Å; G27-V34 PolarHBondContact O-N 2.8Å
28R88.6Confident92.6Very high198 Ų19864 Ų6475%0.74733%0.329SS*.EExtended strand (participates in β ladder)trans-132.9127.6177.6-68.1178.9179.6-108.95.4109.8I25 V33I25-R28 HydrophobicContact CG2-CG 4.04Å; R28-V33 HydrophobicContact CG-CG2 4.25Å
29G80.3Confident92.8Very high45 Ų4560.7 Ų60.746%0.46431%0.313SS..  trans-102.6-171.6166.700000111.6S32G29-S32 PolarHBondContact N-O 3.03Å
30I76.9Confident92.9Very high181 Ų18162.8 Ų62.893%0.92832%0.319SS*.SBendtrans-66.3-49.7-179.2-60.9171.1000111.1
31S83.3Confident92.8Very high37 Ų3766.9 Ų66.926%0.25935%0.347SS..SBendtrans-117.712.2-179.354.80000112.7I51 D52S31-I51 WeakPolarHBondContact O-CA 3.4Å; S31-D52 PolarHBondContact O-N 3.07Å
32S90.8Very high92.8Very high27 Ų2766.6 Ų66.619%0.18935%0.351CS..EExtended strand (participates in β ladder)trans-140.6154.1-175.466.70000113.7G29 V50G29-S32 PolarHBondContact N-O 3.03Å; S32-V50 CarbonylContact C-O 3.55Å; S32-V50 WeakPolarHBondContact CA-O 3.18Å; S32-V50 WeakPolarHBondContact CB-O 3.47Å
33V94.3Very high92.9Very high34 Ų3469.7 Ų69.721%0.20637%0.373CS..EExtended strand (participates in β ladder)trans-130.8132.7171.663.10000109.4I25 R28 R35 V50I25-V33 HydrophobicContact CB-CG2 4.44Å; I25-V33 HydrophobicContact CD1-CG2 4.07Å; I25-V33 HydrophobicContact CG1-CG2 3.94Å; I25-V33 HydrophobicContact CG2-CG2 3.73Å; R28-V33 HydrophobicContact CG-CG2 4.25Å; V33-R35 HydrophobicContact CG2-CG 4.17Å; V33-V50 HydrophobicContact CG1-CB 3.88Å; V33-V50 HydrophobicContact CG1-CG2 4.4Å; V33-V50 PolarHBondContact N-O 2.9Å; V33-V50 PolarHBondContact O-N 3.31Å
34V95.6Very high92.9Very high44 Ų4472 Ų7227%0.26739%0.385SS..EExtended strand (participates in β ladder)trans-100.8127174.8-174.90000108.4L26 G27 A47 V48 K49L26-V34 HydrophobicContact CB-CG1 4.34Å; L26-V34 HydrophobicContact CD1-CG1 4.46Å; L26-V34 PolarHBondContact N-O 3.09Å; G27-V34 PolarHBondContact N-O 2.9Å; G27-V34 PolarHBondContact O-N 2.8Å; V34-A47 HydrophobicContact CG1-CB 4.23Å; V34-V48 CarbonylContact C-O 3.6Å; V34-V48 VanDerWaalsContact CA-O 3.31Å; V34-V48 WeakPolarHBondContact CA-O 3.36Å; V34-K49 HydrophobicContact CG2-CB 4.28Å; V34-K49 HydrophobicContact CG2-CG 4.16Å
35R96.9Very high92.9Very high82 Ų8270.1 Ų70.131%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-125.4148.3179.4-60.5-179.171.5169.60.3110.3K23 E24 I25 V33 A47 V48K23-R35 VanDerWaalsContact O-CZ 3.3Å; K23-R35 PolarHBondContact O-NE 2.9Å; K23-R35 PolarHBondContact O-NH2 3.22Å; E24-R35 VanDerWaalsContact O-CA 3.31Å; E24-R35 WeakPolarHBondContact O-CA 3.36Å; E24-R35 WeakPolarHBondContact O-CB 3.47Å; I25-R35 HydrophobicContact CG1-CG 4.01Å; V33-R35 HydrophobicContact CG2-CG 4.17Å; R35-A47 CarbonylContact O-C 3.42Å; R35-A47 WeakPolarHBondContact O-CA 2.99Å; R35-V48 HydrophobicContact CB-CG1 4.04Å; R35-V48 PolarHBondContact N-O 2.61Å; R35-V48 PolarHBondContact O-N 2.86Å
36R97.4Very high93Very high41 Ų4168.6 Ų68.616%0.15537%0.366CS..EExtended strand (participates in β ladder)trans-67.1142.4162.5-172.6174.862.290.57.2108.2K23 E24 L26 E45 Y46 L106K23-R36 WeakPolarHBondContact CA-O 3.49Å; K23-R36 HydrophobicContact CB-CB 4.32Å; K23-R36 WeakPolarHBondContact CB-O 3.48Å; K23-R36 PolarHBondContact N-O 2.8Å; E24-R36 VanDerWaalsContact CD-NE 3.33Å; E24-R36 PolarHBondContact O-N 2.84Å; E24-R36 IonicContact OE1-CZ 3.25Å; E24-R36 IonicContact OE1-NE 3.37Å; E24-R36 PolarHBondContact OE1-NE 2.95Å; E24-R36 IonicContact OE1-NH2 2.65Å; E24-R36 PolarHBondContact OE1-NH2 3.05Å; E24-R36 IonicContact OE2-CZ 3Å; E24-R36 IonicContact OE2-NE 3.59Å; E24-R36 PolarHBondContact OE2-NE 3.08Å; E24-R36 IonicContact OE2-NH2 3.84Å; E24-R36 PolarHBondContact OE2-NH2 2.82Å; L26-R36 HydrophobicContact CD1-CB 4.09Å; L26-R36 HydrophobicContact CD2-CB 4.23Å; L26-R36 HydrophobicContact CG-CB 4.24Å; R36-E45 IonicContact CZ-OE1 3.07Å; R36-E45 IonicContact NE-OE1 3.61Å; R36-E45 IonicContact NH1-OE1 3.94Å; R36-E45 PolarHBondContact NH1-OE1 2.98Å; R36-Y46 CarbonylContact C-O 3.59Å; R36-Y46 WeakPolarHBondContact CA-O 3.27Å; R36-L106 HydrophobicContact CG-CD1 4.47Å; R36-L106 HydrophobicContact CG-CD2 4.08Å
37C97.6Very high93.3Very high0 Ų064.9 Ų64.90%035%0.348CS..EExtended strand (participates in β ladder)trans-138.2157.8171.662.70000111.1Y20 E21 E45 Y46 V48Y20-C37 HydrophobicContact CD1-CB 4.46Å; E21-C37 CarbonylContact O-C 3.49Å; E21-C37 VanDerWaalsContact O-CA 3.26Å; E21-C37 WeakPolarHBondContact O-CA 3.49Å; C37-E45 WeakPolarHBondContact O-CA 3.46Å; C37-Y46 PolarHBondContact N-O 3.18Å; C37-Y46 PolarHBondContact O-N 3.1Å; C37-V48 HydrophobicContact CB-CG1 4.02Å
38I97.8Very high93.7Very high36 Ų3663.7 Ų63.719%0.18534%0.336CS..EExtended strand (participates in β ladder)trans-114.1125176.8-56.7-176.2000108.2Y20 E21 K23 K40Y20-I38 CarbonylContact C-O 3.55Å; Y20-I38 WeakPolarHBondContact CA-O 3.37Å; E21-I38 PolarHBondContact N-O 3.36Å; E21-I38 PolarHBondContact O-N 2.99Å; K23-I38 HydrophobicContact CD-CD1 4.5Å; K23-I38 HydrophobicContact CG-CD1 4.42Å; K23-I38 HydrophobicContact CG-CG1 4.24Å; I38-K40 PolarHBondContact O-N 3.46Å
39H97.6Very high94.1Very high32 Ų3255.3 Ų55.315%0.14831%0.305CS..EExtended strand (participates in β ladder)trans-74.4106.7171.6-178.4-127.5000109.3N19 Y20 P41 T42 S43 Q44 Y46N19-H39 PolarHBondContact O-CD2 3.47Å; Y20-H39 HydrophobicContact CD1-CB 3.98Å; Y20-H39 HydrophobicContact CE1-CB 3.56Å; Y20-H39 AromaticContact CE1-CD2 3.78Å; Y20-H39 AromaticContact CE1-CG 3.97Å; Y20-H39 AromaticContact CE2-CD2 3.88Å; Y20-H39 AromaticContact CZ-CD2 3.53Å; H39-P41 VanDerWaalsContact C-CD 3.49Å; H39-P41 WeakPolarHBondContact NE2-CD 3.35Å; H39-T42 WeakPolarHBondContact ND1-CG2 3.25Å; H39-T42 PolarHBondContact ND1-OG1 3.14Å; H39-T42 PolarHBondContact O-N 3.26Å; H39-T42 VanDerWaalsContact O-N 3.15Å; H39-T42 PolarHBondContact O-OG1 3.36Å; H39-S43 WeakPolarHBondContact O-CA 3.41Å; H39-S43 PolarHBondContact O-N 3.42Å; H39-Q44 PolarHBondContact N-O 3.31Å; H39-Y46 HydrophobicContact CB-CD2 3.83Å; H39-Y46 HydrophobicContact CB-CE2 3.55Å
40K96.4Very high94.8Very high100 Ų10054.1 Ų54.144%0.43529%0.289SS..THydrogen-bonded Turntrans-55.8-42.5-169.2-57.3-175.5-162.3161.10114.1Y17 E18 N19 E21 I38 T42Y17-K40 WeakPolarHBondContact O-CE 3.4Å; Y17-K40 PolarHBondContact O-NZ 2.88Å; E18-K40 WeakPolarHBondContact O-CD 3.27Å; E18-K40 WeakPolarHBondContact O-CE 3.44Å; E18-K40 PolarHBondContact O-NZ 2.92Å; N19-K40 PolarHBondContact O-N 2.75Å; E21-K40 HydrophobicContact CB-CG 4.35Å; I38-K40 PolarHBondContact O-N 3.46Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.2Å
41P95.4Very high95.6Very high91 Ų9145.8 Ų45.859%0.59125%0.246SC*.THydrogen-bonded Turntrans-63.6-34.8180-24.135.2000114H39H39-P41 VanDerWaalsContact C-CD 3.49Å; H39-P41 WeakPolarHBondContact NE2-CD 3.35Å
42T96.4Very high96.1Very high82 Ų8245.7 Ų45.750%0.50324%0.242SC..THydrogen-bonded Turntrans-106.2-12.8-173.661.20000114.1H39 K40 Q44H39-T42 WeakPolarHBondContact ND1-CG2 3.25Å; H39-T42 PolarHBondContact ND1-OG1 3.14Å; H39-T42 PolarHBondContact O-N 3.26Å; H39-T42 VanDerWaalsContact O-N 3.15Å; H39-T42 PolarHBondContact O-OG1 3.36Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.2Å; T42-Q44 PolarHBondContact O-N 2.85Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; T42-Q44 WeakPolarHBondContact OG1-CB 2.74Å; T42-Q44 PolarHBondContact OG1-N 3.28Å
43S96.1Very high96Very high94 Ų9444.4 Ų44.466%0.65723%0.233SC*.THydrogen-bonded Turntrans56.714.5-167.5-56.40000115.1H39H39-S43 WeakPolarHBondContact O-CA 3.41Å; H39-S43 PolarHBondContact O-N 3.42Å
44Q96.9Very high95.6Very high106 Ų10644.5 Ų44.550%0.49523%0.234SC..EExtended strand (participates in β ladder)trans-76141.2177.2-175.96140.700110.9H39 T42 Y46H39-Q44 PolarHBondContact N-O 3.31Å; T42-Q44 PolarHBondContact O-N 2.85Å; T42-Q44 VanDerWaalsContact O-N 3.12Å; T42-Q44 WeakPolarHBondContact OG1-CB 2.74Å; T42-Q44 PolarHBondContact OG1-N 3.28Å; Q44-Y46 HydrophobicContact CB-CE2 3.75Å; Q44-Y46 HydrophobicContact CG-CD2 4.41Å; Q44-Y46 HydrophobicContact CG-CE1 4.27Å; Q44-Y46 HydrophobicContact CG-CE2 3.66Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.1Å
45E97.3Very high94.8Very high57 Ų5743.2 Ų43.227%0.26623%0.229SC..EExtended strand (participates in β ladder)trans-87.9140.8177.7-56.2-172.911200112R36 C37 L106 K108R36-E45 IonicContact CZ-OE1 3.07Å; R36-E45 IonicContact NE-OE1 3.61Å; R36-E45 IonicContact NH1-OE1 3.94Å; R36-E45 PolarHBondContact NH1-OE1 2.98Å; C37-E45 WeakPolarHBondContact O-CA 3.46Å; E45-L106 HydrophobicContact CB-CD2 3.84Å; E45-K108 IonicContact OE2-NZ 3.08Å; E45-K108 PolarHBondContact OE2-NZ 2.87Å
46Y97.6Very high93.9Very high38 Ų3842.4 Ų42.415%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-140173.5179.3-65.8-75.3000110.7Y20 R36 C37 H39 Q44 K91 V103 F104Y20-Y46 AromaticContact CE1-CD2 3.78Å; Y20-Y46 HydrophobicContact CE1-CD2 3.78Å; Y20-Y46 HydrophobicContact CE1-CE2 4.3Å; Y20-Y46 HydrophobicContact CE1-CG 4.41Å; R36-Y46 CarbonylContact C-O 3.59Å; R36-Y46 WeakPolarHBondContact CA-O 3.27Å; C37-Y46 PolarHBondContact N-O 3.18Å; C37-Y46 PolarHBondContact O-N 3.1Å; H39-Y46 HydrophobicContact CB-CD2 3.83Å; H39-Y46 HydrophobicContact CB-CE2 3.55Å; Q44-Y46 HydrophobicContact CB-CE2 3.75Å; Q44-Y46 HydrophobicContact CG-CD2 4.41Å; Q44-Y46 HydrophobicContact CG-CE1 4.27Å; Q44-Y46 HydrophobicContact CG-CE2 3.66Å; Q44-Y46 WeakPolarHBondContact O-CD2 3.1Å; Y46-K91 HydrophobicContact CD1-CG 4.12Å; Y46-K91 HydrophobicContact CE1-CD 4.5Å; Y46-K91 HydrophobicContact CE1-CG 3.84Å; Y46-V103 HydrophobicContact CD1-CG1 4.37Å; Y46-V103 HydrophobicContact CG-CG1 4.01Å; Y46-F104 WeakPolarHBondContact CA-O 3.09Å; Y46-F104 WeakPolarHBondContact CB-O 3.35Å; Y46-F104 WeakPolarHBondContact CD1-O 3.3Å
47A97.8Very high93Very high11 Ų1143.5 Ų43.59%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-112.8135.7166.800000109.3L26 V34 R35 V103 F104 L106L26-A47 HydrophobicContact CD1-CB 4.22Å; V34-A47 HydrophobicContact CG1-CB 4.23Å; R35-A47 CarbonylContact O-C 3.42Å; R35-A47 WeakPolarHBondContact O-CA 2.99Å; A47-V103 CarbonylContact O-C 3.6Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; A47-F104 PolarHBondContact N-O 2.94Å; A47-F104 PolarHBondContact O-N 3.36Å; A47-L106 HydrophobicContact CB-CD1 4.14Å
48V97.6Very high92.3Very high1 Ų148 Ų481%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-114.2122.6173.760.70000109.9F16 V34 R35 C37 V50 F101 L102 V103F16-V48 HydrophobicContact CE2-CB 4.25Å; F16-V48 HydrophobicContact CE2-CG1 4.49Å; F16-V48 HydrophobicContact CE2-CG2 3.76Å; F16-V48 HydrophobicContact CZ-CB 4.27Å; F16-V48 HydrophobicContact CZ-CG1 4.02Å; F16-V48 HydrophobicContact CZ-CG2 3.96Å; V34-V48 CarbonylContact C-O 3.6Å; V34-V48 VanDerWaalsContact CA-O 3.31Å; V34-V48 WeakPolarHBondContact CA-O 3.36Å; R35-V48 HydrophobicContact CB-CG1 4.04Å; R35-V48 PolarHBondContact N-O 2.61Å; R35-V48 PolarHBondContact O-N 2.86Å; C37-V48 HydrophobicContact CB-CG1 4.02Å; V48-V50 HydrophobicContact CG1-CG2 4.33Å; V48-V50 HydrophobicContact CG2-CG2 4.07Å; V48-F101 HydrophobicContact CG2-CB 4.07Å; V48-F101 HydrophobicContact CG2-CD1 4.3Å; V48-L102 CarbonylContact C-O 3.57Å; V48-L102 WeakPolarHBondContact CA-O 3.46Å; V48-V103 HydrophobicContact CG2-CG2 4.27Å
49K96.1Very high91.8Very high22 Ų2249.5 Ų49.510%0.09631%0.308CS..EExtended strand (participates in β ladder)trans-87.5112.9167.6-171.1-176.1-172.3-173.90107V34 I51 E74 L102 F104 D168V34-K49 HydrophobicContact CG2-CB 4.28Å; V34-K49 HydrophobicContact CG2-CG 4.16Å; K49-I51 HydrophobicContact CD-CD1 4.21Å; K49-I51 HydrophobicContact CD-CG1 4.36Å; K49-I51 HydrophobicContact CG-CD1 4.42Å; K49-I51 HydrophobicContact CG-CG1 4.08Å; K49-E74 IonicContact NZ-OE1 2.7Å; K49-E74 PolarHBondContact NZ-OE1 3.04Å; K49-E74 IonicContact NZ-OE2 3.7Å; K49-E74 PolarHBondContact NZ-OE2 2.89Å; K49-L102 HydrophobicContact CB-CB 4.34Å; K49-L102 PolarHBondContact N-O 3.25Å; K49-L102 PolarHBondContact O-N 3.28Å; K49-F104 HydrophobicContact CB-CD2 4.44Å; K49-F104 HydrophobicContact CB-CE2 3.9Å; K49-F104 HydrophobicContact CD-CE2 4.48Å; K49-D168 IonicContact NZ-OD1 2.72Å; K49-D168 PolarHBondContact NZ-OD1 2.8Å
50V95.5Very high91.4Very high21 Ų2150 Ų5013%0.12731%0.314CS..EExtended strand (participates in β ladder)trans-100.4116.7175.8-1720000107.6S32 V33 V48 F99 F100 F101S32-V50 CarbonylContact C-O 3.55Å; S32-V50 WeakPolarHBondContact CA-O 3.18Å; S32-V50 WeakPolarHBondContact CB-O 3.47Å; V33-V50 HydrophobicContact CG1-CB 3.88Å; V33-V50 HydrophobicContact CG1-CG2 4.4Å; V33-V50 PolarHBondContact N-O 2.9Å; V33-V50 PolarHBondContact O-N 3.31Å; V48-V50 HydrophobicContact CG1-CG2 4.33Å; V48-V50 HydrophobicContact CG2-CG2 4.07Å; V50-F99 HydrophobicContact CG1-CD1 4.09Å; V50-F100 CarbonylContact C-O 3.55Å; V50-F100 VanDerWaalsContact CA-O 3.31Å; V50-F100 WeakPolarHBondContact CA-O 3.36Å; V50-F101 HydrophobicContact CB-CD1 4.45Å; V50-F101 HydrophobicContact CG1-CD1 4.06Å; V50-F101 HydrophobicContact CG1-CE1 3.78Å; V50-F101 HydrophobicContact CG1-CZ 4.32Å; V50-F101 HydrophobicContact CG2-CD1 3.81Å; V50-F101 HydrophobicContact CG2-CE1 4.04Å
51I94.1Very high91.1Very high5 Ų550 Ų503%0.02633%0.325CS..EExtended strand (participates in β ladder)trans-109.4124-177.7-55.5168.2000107.9S31 K49 V53 T71 F99 F100 L102S31-I51 WeakPolarHBondContact O-CA 3.4Å; K49-I51 HydrophobicContact CD-CD1 4.21Å; K49-I51 HydrophobicContact CD-CG1 4.36Å; K49-I51 HydrophobicContact CG-CD1 4.42Å; K49-I51 HydrophobicContact CG-CG1 4.08Å; I51-V53 HydrophobicContact CG2-CG1 4.49Å; I51-T71 HydrophobicContact CD1-CG2 3.71Å; I51-F99 CarbonylContact O-C 3.6Å; I51-F99 WeakPolarHBondContact O-CA 3.5Å; I51-F100 HydrophobicContact CB-CB 4.25Å; I51-F100 HydrophobicContact CD1-CB 4.48Å; I51-F100 PolarHBondContact N-O 2.82Å; I51-F100 PolarHBondContact O-N 2.89Å; I51-L102 HydrophobicContact CD1-CD1 4.02Å
52D92.2Very high91Very high35 Ų3550.7 Ų50.719%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-87.4108172.4-178.8-5.2000109.4S31 T54 G55 G56 F99S31-D52 PolarHBondContact O-N 3.07Å; D52-T54 VanDerWaalsContact C-N 3.28Å; D52-T54 PolarHBondContact O-N 3.02Å; D52-T54 WeakPolarHBondContact OD1-CA 3.39Å; D52-T54 WeakPolarHBondContact OD1-CB 3.38Å; D52-T54 PolarHBondContact OD1-N 3.06Å; D52-T54 PolarHBondContact OD1-OG1 3.42Å; D52-G55 PolarHBondContact OD1-N 3Å; D52-G56 PolarHBondContact OD2-N 2.69Å; D52-F99 HydrophobicContact CB-CD1 4.01Å; D52-F99 HydrophobicContact CB-CE1 3.72Å
53V89.4Confident90.7Very high0 Ų051 Ų510%032%0.316CS..THydrogen-bonded Turntrans-79.7-11.8-179.3-67.10000113.2I51 L67 N97 T98 F100I51-V53 HydrophobicContact CG2-CG1 4.49Å; V53-L67 HydrophobicContact CG1-CG 4.39Å; V53-N97 WeakPolarHBondContact CG2-O 3.45Å; V53-T98 VanDerWaalsContact CG2-C 3.5Å; V53-T98 VanDerWaalsContact CG2-O 3.3Å; V53-T98 WeakPolarHBondContact CG2-O 3.31Å; V53-T98 PolarHBondContact N-O 2.76Å; V53-F100 HydrophobicContact CG1-CD2 3.56Å; V53-F100 HydrophobicContact CG1-CE2 3.77Å
54T86.6Confident90.4Very high37 Ų3748.3 Ų48.323%0.22730%0.295CS..THydrogen-bonded Turntrans-90.2-9.1178.369.70000113.3D52 G56 G57 T98D52-T54 VanDerWaalsContact C-N 3.28Å; D52-T54 PolarHBondContact O-N 3.02Å; D52-T54 WeakPolarHBondContact OD1-CA 3.39Å; D52-T54 WeakPolarHBondContact OD1-CB 3.38Å; D52-T54 PolarHBondContact OD1-N 3.06Å; D52-T54 PolarHBondContact OD1-OG1 3.42Å; T54-G56 VanDerWaalsContact C-N 3.26Å; T54-G56 PolarHBondContact O-N 2.89Å; T54-G57 WeakPolarHBondContact O-CA 3.45Å; T54-G57 PolarHBondContact O-N 2.65Å; T54-T98 HydrophobicContact CG2-CG2 3.93Å
55G78.8Confident90.2Very high16 Ų1650 Ų5017%0.16530%0.297CS..G310 helixtrans57.138.7-17500000112.6D52 G57 S58 F59D52-G55 PolarHBondContact OD1-N 3Å; G55-G57 PolarHBondContact O-N 3.37Å; G55-S58 WeakPolarHBondContact O-CB 3.48Å; G55-S58 PolarHBondContact O-N 3.49Å; G55-S58 VanDerWaalsContact O-N 3.15Å; G55-S58 PolarHBondContact O-OG 3.46Å; G55-F59 VanDerWaalsContact CA-CE2 3.46Å
56G78.3Confident89.9Confident65 Ų6552.9 Ų52.967%0.6731%0.311SS*.G310 helixtrans61.626-172.700000114.4D52 T54 S58D52-G56 PolarHBondContact OD2-N 2.69Å; T54-G56 VanDerWaalsContact C-N 3.26Å; T54-G56 PolarHBondContact O-N 2.89Å; G56-S58 VanDerWaalsContact C-N 3.31Å
57G77.9Confident89.6Confident64 Ų6453 Ų5366%0.6631%0.313SS*.G310 helixtrans79.38.2-176.600000114.8T54 G55T54-G57 WeakPolarHBondContact O-CA 3.45Å; T54-G57 PolarHBondContact O-N 2.65Å; G55-G57 PolarHBondContact O-N 3.37Å
58S82.8Confident89.4Confident94 Ų9455.4 Ų55.466%0.65732%0.32SS*.THydrogen-bonded Turntrans-88.7-14.6178.767.50000114.1G55 G56G55-S58 WeakPolarHBondContact O-CB 3.48Å; G55-S58 PolarHBondContact O-N 3.49Å; G55-S58 VanDerWaalsContact O-N 3.15Å; G55-S58 PolarHBondContact O-OG 3.46Å; G56-S58 VanDerWaalsContact C-N 3.31Å
59F86.8Confident89.2Confident69 Ų6959.9 Ų59.930%0.30334%0.341SS..SBendtrans-84.9143.8-177.4-67.4-10.2000112.1G55 E63 V64 L67G55-F59 VanDerWaalsContact CA-CE2 3.46Å; F59-E63 WeakPolarHBondContact CA-OE2 3.35Å; F59-E63 HydrophobicContact CB-CB 3.92Å; F59-E63 HydrophobicContact CG-CB 4.26Å; F59-V64 HydrophobicContact CB-CG2 3.79Å; F59-L67 HydrophobicContact CD2-CD2 4.28Å; F59-L67 HydrophobicContact CE2-CD2 3.73Å
60S90.6Very high89Confident41 Ų4160.8 Ų60.829%0.28735%0.353SS..  trans-66.4157.6168.763.40000111.2E62 E63 V64S60-E62 PolarHBondContact O-N 2.64Å; S60-E63 WeakPolarHBondContact CB-OE2 3.26Å; S60-E63 PolarHBondContact N-OE2 2.72Å; S60-E63 PolarHBondContact O-N 2.98Å; S60-E63 VanDerWaalsContact O-N 3.1Å; S60-E63 WeakPolarHBondContact OG-CB 3.34Å; S60-E63 VanDerWaalsContact OG-CD 3.29Å; S60-E63 WeakPolarHBondContact OG-CG 3.28Å; S60-E63 PolarHBondContact OG-N 3.46Å; S60-E63 PolarHBondContact OG-OE2 3.37Å; S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.86Å
61P89.9Confident88.9Confident102 Ų10260 Ų6066%0.66235%0.348SS*.Hα-helixtrans-54.5-34.7176.7-26.235.5000113.5R65P61-R65 PolarHBondContact O-N 2.75Å; P61-R65 VanDerWaalsContact O-N 3.15Å
62E91.8Very high89Confident104 Ų10463.4 Ų63.449%0.48637%0.366SS..Hα-helixtrans-66.5-47.8175.4-66.973.7-161.300111.9S60 V64 R65 E66S60-E62 PolarHBondContact O-N 2.64Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 2.86Å; E62-R65 WeakPolarHBondContact O-CB 3.31Å; E62-R65 PolarHBondContact O-N 2.67Å; E62-R65 VanDerWaalsContact O-N 3.16Å; E62-E66 WeakPolarHBondContact O-CG 3.33Å; E62-E66 PolarHBondContact O-N 2.92Å
63E90.4Very high89.1Confident90 Ų9067.9 Ų67.942%0.42138%0.384SS..Hα-helixtrans-62.8-39.2177.8-74.1166.9136.200112.1F59 S60 R65 E66 L67F59-E63 WeakPolarHBondContact CA-OE2 3.35Å; F59-E63 HydrophobicContact CB-CB 3.92Å; F59-E63 HydrophobicContact CG-CB 4.26Å; S60-E63 WeakPolarHBondContact CB-OE2 3.26Å; S60-E63 PolarHBondContact N-OE2 2.72Å; S60-E63 PolarHBondContact O-N 2.98Å; S60-E63 VanDerWaalsContact O-N 3.1Å; S60-E63 WeakPolarHBondContact OG-CB 3.34Å; S60-E63 VanDerWaalsContact OG-CD 3.29Å; S60-E63 WeakPolarHBondContact OG-CG 3.28Å; S60-E63 PolarHBondContact OG-N 3.46Å; S60-E63 PolarHBondContact OG-OE2 3.37Å; E63-R65 VanDerWaalsContact C-N 3.33Å; E63-R65 PolarHBondContact O-N 3.31Å; E63-E66 PolarHBondContact O-N 2.74Å; E63-L67 WeakPolarHBondContact O-CB 3.47Å; E63-L67 PolarHBondContact O-N 2.79Å
64V90.7Very high89.4Confident36 Ų3668.3 Ų68.322%0.21839%0.386CS..Hα-helixtrans-61.1-43.6174.4173.40000110.7F59 S60 E62 R68F59-V64 HydrophobicContact CB-CG2 3.79Å; S60-V64 WeakPolarHBondContact O-CG2 3.5Å; S60-V64 PolarHBondContact O-N 2.86Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 2.86Å; V64-R68 WeakPolarHBondContact O-CB 3.36Å; V64-R68 PolarHBondContact O-N 3.17Å
65R91.6Very high89.9Confident141 Ų14167 Ų6753%0.53238%0.378SS..Hα-helixtrans-64-46.9177.4-176.4-177.664.3-159.3-4.9111.1P61 E62 E63 L67 R68 E69P61-R65 PolarHBondContact O-N 2.75Å; P61-R65 VanDerWaalsContact O-N 3.15Å; E62-R65 WeakPolarHBondContact O-CB 3.31Å; E62-R65 PolarHBondContact O-N 2.67Å; E62-R65 VanDerWaalsContact O-N 3.16Å; E63-R65 VanDerWaalsContact C-N 3.33Å; E63-R65 PolarHBondContact O-N 3.31Å; R65-L67 PolarHBondContact O-N 3.19Å; R65-R68 PolarHBondContact O-N 2.88Å; R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 WeakPolarHBondContact O-CG 3.46Å; R65-E69 PolarHBondContact O-N 2.87Å
66E91.4Very high90.8Very high119 Ų11969.7 Ų69.756%0.55639%0.388SS*.Hα-helixtrans-60.6-45.3179.4-73.7175.1-174.500112E62 E63 R68 E69 A70E62-E66 WeakPolarHBondContact O-CG 3.33Å; E62-E66 PolarHBondContact O-N 2.92Å; E63-E66 PolarHBondContact O-N 2.74Å; E66-R68 PolarHBondContact O-N 2.85Å; E66-E69 PolarHBondContact O-N 2.94Å; E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 3.24Å
67L91.1Very high91.7Very high39 Ų3966.8 Ų66.820%0.20436%0.357CS..Hα-helixtrans-65.7-38.7177.9-179.457.9000112.2V53 F59 E63 R65 A70 T71V53-L67 HydrophobicContact CG1-CG 4.39Å; F59-L67 HydrophobicContact CD2-CD2 4.28Å; F59-L67 HydrophobicContact CE2-CD2 3.73Å; E63-L67 WeakPolarHBondContact O-CB 3.47Å; E63-L67 PolarHBondContact O-N 2.79Å; R65-L67 PolarHBondContact O-N 3.19Å; L67-A70 PolarHBondContact O-N 3.14Å; L67-T71 WeakPolarHBondContact O-CB 3.31Å; L67-T71 PolarHBondContact O-N 3.17Å; L67-T71 PolarHBondContact O-OG1 3.24Å
68R93.1Very high92.6Very high63 Ų6363.9 Ų63.924%0.23833%0.327CS..Hα-helixtrans-64.6-45.5175.4-171.9168.5-164.2153.6-1.5111.4V64 R65 E66 T71 L72 E95 T96 N97 F100V64-R68 WeakPolarHBondContact O-CB 3.36Å; V64-R68 PolarHBondContact O-N 3.17Å; R65-R68 PolarHBondContact O-N 2.88Å; E66-R68 PolarHBondContact O-N 2.85Å; R68-T71 PolarHBondContact O-N 2.92Å; R68-L72 HydrophobicContact CG-CD1 4.41Å; R68-L72 WeakPolarHBondContact O-CG 3.39Å; R68-L72 PolarHBondContact O-N 2.75Å; R68-E95 IonicContact CZ-OE1 2.83Å; R68-E95 VanDerWaalsContact CZ-OE1 3.25Å; R68-E95 IonicContact NE-OE1 3.34Å; R68-E95 PolarHBondContact NE-OE1 3.05Å; R68-E95 IonicContact NH2-OE1 3.45Å; R68-E95 PolarHBondContact NH2-OE1 3.04Å; R68-T96 PolarHBondContact NH2-O 2.82Å; R68-N97 PolarHBondContact NH1-OD1 3.21Å; R68-F100 HydrophobicContact CG-CE2 3.87Å; R68-F100 HydrophobicContact CG-CZ 3.93Å
69E93.4Very high93.3Very high94 Ų9466.5 Ų66.544%0.43932%0.322SS..Hα-helixtrans-62-41.8175.4-74.1177.9-16600112R65 E66 L72 K73R65-E69 WeakPolarHBondContact CG-OE1 3.47Å; R65-E69 WeakPolarHBondContact O-CG 3.46Å; R65-E69 PolarHBondContact O-N 2.87Å; E66-E69 PolarHBondContact O-N 2.94Å; E69-L72 PolarHBondContact O-N 3.32Å; E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 3.37Å
70A92.4Very high93.8Very high42 Ų4267.7 Ų67.735%0.34733%0.327SS..Hα-helixtrans-61.7-43.1174.900000111.9E66 L67 L72 K73 E74E66-A70 WeakPolarHBondContact O-CB 3.45Å; E66-A70 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 3.14Å; A70-L72 PolarHBondContact O-N 3.26Å; A70-K73 WeakPolarHBondContact O-CB 3.32Å; A70-K73 PolarHBondContact O-N 2.87Å; A70-E74 PolarHBondContact O-N 3.43Å
71T94.2Very high94Very high4 Ų466.2 Ų66.23%0.02532%0.316CS..Hα-helixtrans-65.4-40.2178.1-53.90000111.6I51 L67 R68 K73 E74 V75 F100I51-T71 HydrophobicContact CD1-CG2 3.71Å; L67-T71 WeakPolarHBondContact O-CB 3.31Å; L67-T71 PolarHBondContact O-N 3.17Å; L67-T71 PolarHBondContact O-OG1 3.24Å; R68-T71 PolarHBondContact O-N 2.92Å; T71-K73 VanDerWaalsContact C-N 3.34Å; T71-K73 PolarHBondContact O-N 3.32Å; T71-E74 WeakPolarHBondContact O-CB 3.41Å; T71-E74 PolarHBondContact O-N 3.39Å; T71-V75 WeakPolarHBondContact O-CG2 3.42Å; T71-V75 PolarHBondContact O-N 3.28Å; T71-F100 HydrophobicContact CG2-CB 3.91Å; T71-F100 HydrophobicContact CG2-CD1 3.59Å; T71-F100 HydrophobicContact CG2-CD2 3.97Å; T71-F100 HydrophobicContact CG2-CE1 4.05Å; T71-F100 HydrophobicContact CG2-CE2 4.4Å; T71-F100 HydrophobicContact CG2-CG 3.54Å; T71-F100 HydrophobicContact CG2-CZ 4.42Å
72L94.9Very high94.3Very high76 Ų7664.4 Ų64.440%0.39831%0.306SS..Hα-helixtrans-64.8-37.9175-72.5170.8000112.1R68 E69 A70 V75 D76 F100R68-L72 HydrophobicContact CG-CD1 4.41Å; R68-L72 WeakPolarHBondContact O-CG 3.39Å; R68-L72 PolarHBondContact O-N 2.75Å; E69-L72 PolarHBondContact O-N 3.32Å; A70-L72 PolarHBondContact O-N 3.26Å; L72-V75 PolarHBondContact O-N 2.99Å; L72-D76 PolarHBondContact O-N 3.39Å; L72-F100 HydrophobicContact CD2-CE1 3.84Å; L72-F100 HydrophobicContact CD2-CZ 4.08Å; L72-F100 HydrophobicContact CG-CE1 4.28Å; L72-F100 HydrophobicContact CG-CZ 4.16Å
73K95.1Very high94.4Very high129 Ų12962.4 Ų62.456%0.56131%0.313SS*.Hα-helixtrans-63.9-42.6172.6-72.3173.4-174.8173.60111.8E69 A70 T71 V75 D76 I77E69-K73 WeakPolarHBondContact O-CG 3.34Å; E69-K73 PolarHBondContact O-N 3.37Å; A70-K73 WeakPolarHBondContact O-CB 3.32Å; A70-K73 PolarHBondContact O-N 2.87Å; T71-K73 VanDerWaalsContact C-N 3.34Å; T71-K73 PolarHBondContact O-N 3.32Å; K73-V75 VanDerWaalsContact C-N 3.33Å; K73-V75 PolarHBondContact O-N 3.3Å; K73-D76 PolarHBondContact O-N 2.98Å; K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.3Å
74E95.8Very high94.7Very high10 Ų1060.1 Ų60.15%0.04730%0.302CS..Hα-helixtrans-56.8-47.7174.3-179.1179.5-178.300110.7K49 A70 T71 D76 I77 L78 F169K49-E74 IonicContact NZ-OE1 2.7Å; K49-E74 PolarHBondContact NZ-OE1 3.04Å; K49-E74 IonicContact NZ-OE2 3.7Å; K49-E74 PolarHBondContact NZ-OE2 2.89Å; A70-E74 PolarHBondContact O-N 3.43Å; T71-E74 WeakPolarHBondContact O-CB 3.41Å; T71-E74 PolarHBondContact O-N 3.39Å; E74-D76 PolarHBondContact O-N 3.5Å; E74-I77 PolarHBondContact O-N 2.96Å; E74-L78 HydrophobicContact CG-CD1 3.95Å; E74-L78 WeakPolarHBondContact O-CB 2.89Å; E74-L78 WeakPolarHBondContact O-CG 3.46Å; E74-L78 PolarHBondContact O-N 3.45Å; E74-F169 HydrophobicContact CG-CB 4.1Å
75V96.4Very high94.9Very high9 Ų962.3 Ų62.36%0.05532%0.318CS..Hα-helixtrans-62.2-43.5178171.50000112.2T71 L72 K73 L78 R79 L90 T93 L102T71-V75 WeakPolarHBondContact O-CG2 3.42Å; T71-V75 PolarHBondContact O-N 3.28Å; L72-V75 PolarHBondContact O-N 2.99Å; K73-V75 VanDerWaalsContact C-N 3.33Å; K73-V75 PolarHBondContact O-N 3.3Å; V75-L78 PolarHBondContact O-N 2.94Å; V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.3Å; V75-R79 PolarHBondContact O-N 3.39Å; V75-L90 HydrophobicContact CG1-CD2 4.18Å; V75-T93 HydrophobicContact CG1-CG2 4.09Å; V75-T93 HydrophobicContact CG2-CG2 4.46Å; V75-L102 HydrophobicContact CG2-CD1 4.12Å; V75-L102 HydrophobicContact CG2-CD2 3.52Å; V75-L102 HydrophobicContact CG2-CG 4.5Å
76D97.3Very high95.2Very high72 Ų7256.6 Ų56.639%0.38530%0.297SS..Hα-helixtrans-61.6-45.1177.6177.266.4000112L72 K73 E74 R79 K80L72-D76 PolarHBondContact O-N 3.39Å; K73-D76 PolarHBondContact O-N 2.98Å; E74-D76 PolarHBondContact O-N 3.5Å; D76-R79 PolarHBondContact O-N 3.02Å; D76-K80 WeakPolarHBondContact O-CG 3.45Å; D76-K80 PolarHBondContact O-N 3.5Å; D76-K80 IonicContact OD1-NZ 2.95Å; D76-K80 WeakPolarHBondContact OD2-CE 3.39Å; D76-K80 IonicContact OD2-NZ 2.8Å; D76-K80 PolarHBondContact OD2-NZ 2.96Å
77I97.8Very high95.5Very high5 Ų551 Ų513%0.02627%0.271CS..Hα-helixtrans-61.8-49.1176.2-69.7171.5000110.6K73 E74 R79 K80 V81 I146 F169 S172K73-I77 WeakPolarHBondContact O-CG1 3.41Å; K73-I77 PolarHBondContact O-N 3.3Å; E74-I77 PolarHBondContact O-N 2.96Å; I77-R79 PolarHBondContact O-N 2.94Å; I77-K80 WeakPolarHBondContact O-CB 3.5Å; I77-K80 PolarHBondContact O-N 3.39Å; I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.5Å; I77-I146 HydrophobicContact CG2-CD1 4.12Å; I77-I146 HydrophobicContact CG2-CG2 4.04Å; I77-F169 HydrophobicContact CG2-CB 4.36Å; I77-F169 HydrophobicContact CG2-CD1 3.58Å; I77-F169 HydrophobicContact CG2-CE1 4.25Å; I77-F169 HydrophobicContact CG2-CG 4.25Å; I77-S172 VanDerWaalsContact CD1-C 3.49Å; I77-S172 VanDerWaalsContact CD1-O 3.32Å; I77-S172 WeakPolarHBondContact CD1-O 3.19Å
78L97.3Very high95.8Very high3 Ų349.3 Ų49.32%0.01626%0.263CS..Hα-helixtrans-56.9-38.3178.1-78.6167.6000112.4E74 V75 S82 I88 L90 F104 F169E74-L78 HydrophobicContact CG-CD1 3.95Å; E74-L78 WeakPolarHBondContact O-CB 2.89Å; E74-L78 WeakPolarHBondContact O-CG 3.46Å; E74-L78 PolarHBondContact O-N 3.45Å; V75-L78 PolarHBondContact O-N 2.94Å; L78-S82 PolarHBondContact O-N 3.29Å; L78-S82 VanDerWaalsContact O-N 3.14Å; L78-I88 HydrophobicContact CD2-CG2 4.13Å; L78-L90 HydrophobicContact CB-CB 4.28Å; L78-L90 HydrophobicContact CB-CD2 3.94Å; L78-L90 HydrophobicContact CD1-CD2 4.27Å; L78-F104 HydrophobicContact CD1-CE1 3.77Å; L78-F104 HydrophobicContact CD1-CZ 3.83Å; L78-F104 HydrophobicContact CD2-CE1 4.24Å; L78-F169 HydrophobicContact CD2-CD2 3.52Å; L78-F169 HydrophobicContact CD2-CE2 3.99Å; L78-F169 HydrophobicContact CD2-CG 4.16Å; L78-F169 HydrophobicContact CG-CB 4.37Å; L78-F169 HydrophobicContact CG-CD2 4.28Å; L78-F169 HydrophobicContact CG-CG 4.47Å
79R96.7Very high96Very high149 Ų14947.4 Ų47.456%0.56226%0.257SS*.Hα-helixtrans-67.2-42.2175-74.2174.4178.2175.52.5112.1V75 D76 I77 V81 S82 L90 T93V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.3Å; V75-R79 PolarHBondContact O-N 3.39Å; D76-R79 PolarHBondContact O-N 3.02Å; I77-R79 PolarHBondContact O-N 2.94Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.29Å; R79-S82 VanDerWaalsContact O-CB 3.27Å; R79-S82 WeakPolarHBondContact O-CB 3.47Å; R79-S82 PolarHBondContact O-N 3.48Å; R79-L90 HydrophobicContact CG-CD2 4.39Å; R79-T93 PolarHBondContact NH2-OG1 2.7Å; R79-T93 VanDerWaalsContact NH2-OG1 3.1Å
80K96.9Very high96.1Very high93 Ų9344 Ų4440%0.40424%0.241SC..Hα-helixtrans-63.1-34.7178.2-75.4168.8176.5165.80113.2D76 I77D76-K80 WeakPolarHBondContact O-CG 3.45Å; D76-K80 PolarHBondContact O-N 3.5Å; D76-K80 IonicContact OD1-NZ 2.95Å; D76-K80 WeakPolarHBondContact OD2-CE 3.39Å; D76-K80 IonicContact OD2-NZ 2.8Å; D76-K80 PolarHBondContact OD2-NZ 2.96Å; I77-K80 WeakPolarHBondContact O-CB 3.5Å; I77-K80 PolarHBondContact O-N 3.39Å
81V96.7Very high96.3Very high10 Ų1046 Ų466%0.06124%0.242CC..THydrogen-bonded Turntrans-96.71.9-177.1-53.10000113.2I77 R79 H84 I87 L141 L144 I146 F169I77-V81 WeakPolarHBondContact O-CG2 3.38Å; I77-V81 PolarHBondContact O-N 3.5Å; R79-V81 VanDerWaalsContact C-N 3.31Å; R79-V81 PolarHBondContact O-N 3.29Å; V81-H84 PolarHBondContact O-N 3.49Å; V81-I87 HydrophobicContact CB-CD1 3.76Å; V81-I87 HydrophobicContact CG2-CD1 3.94Å; V81-I87 HydrophobicContact CG2-CG2 3.83Å; V81-L141 HydrophobicContact CB-CD2 4.31Å; V81-L141 HydrophobicContact CG1-CD2 3.51Å; V81-L144 HydrophobicContact CG1-CD1 4.22Å; V81-I146 HydrophobicContact CG1-CD1 3.84Å; V81-F169 HydrophobicContact CG2-CZ 4.4Å
82S95.3Very high96.4Very high65 Ų6548.7 Ų48.746%0.45526%0.256SS..THydrogen-bonded Turntrans-57.2142.4178.1-1700000111.3L78 R79 Q89L78-S82 PolarHBondContact O-N 3.29Å; L78-S82 VanDerWaalsContact O-N 3.14Å; R79-S82 VanDerWaalsContact O-CB 3.27Å; R79-S82 WeakPolarHBondContact O-CB 3.47Å; R79-S82 PolarHBondContact O-N 3.48Å; S82-Q89 PolarHBondContact OG-OE1 3.02Å
83G93.8Very high96.5Very high61 Ų6147.4 Ų47.463%0.62925%0.251SS*.THydrogen-bonded Turntrans91.7-14-17600000115.1
84H96.4Very high96.5Very high42 Ų4242.7 Ų42.719%0.19423%0.23CC..  trans-69.2127.8175.1-168.1-80.8000111.3V81 N86 I87 Q89V81-H84 PolarHBondContact O-N 3.49Å; H84-N86 PolarHBondContact ND1-N 3.1Å; H84-N86 VanDerWaalsContact ND1-N 3.19Å; H84-N86 PolarHBondContact O-N 2.86Å; H84-N86 VanDerWaalsContact O-N 3.14Å; H84-I87 HydrophobicContact CB-CB 4.15Å; H84-I87 HydrophobicContact CB-CD1 3.73Å; H84-I87 HydrophobicContact CB-CG1 3.94Å; H84-I87 PolarHBondContact O-N 3Å; H84-I87 VanDerWaalsContact O-N 3.17Å; H84-Q89 PolarHBondContact O-NE2 3.07Å
85P95.6Very high96.3Very high83 Ų8345.7 Ų45.754%0.53924%0.244SC..THydrogen-bonded Turntrans-64.1-25.8-170.925-35.7000113.9K165P85-K165 WeakPolarHBondContact O-CD 3.43Å; P85-K165 VanDerWaalsContact O-CE 3.28Å; P85-K165 WeakPolarHBondContact O-CE 3.24Å; P85-K165 PolarHBondContact O-NZ 3.36Å
86N97.9Very high96Very high20 Ų2045.6 Ų45.611%0.10724%0.244CC..THydrogen-bonded Turntrans-10717.3-179.5-62.5105.2000114.1H84 V137 I164 K165 L166H84-N86 PolarHBondContact ND1-N 3.1Å; H84-N86 VanDerWaalsContact ND1-N 3.19Å; H84-N86 PolarHBondContact O-N 2.86Å; H84-N86 VanDerWaalsContact O-N 3.14Å; N86-V137 HydrophobicContact CB-CG2 3.37Å; N86-V137 WeakPolarHBondContact O-CG2 3.12Å; N86-I164 WeakPolarHBondContact CA-O 3.49Å; N86-I164 PolarHBondContact ND2-O 3.33Å; N86-K165 CarbonylContact O-C 3.55Å; N86-K165 WeakPolarHBondContact O-CA 3.44Å; N86-L166 PolarHBondContact O-N 3.45Å
87I98Very high95.4Very high2 Ų245.7 Ų45.71%0.0124%0.244CC..BIsolated β-bridgetrans-113144.7170.4-60.4176.3000108.6V81 H84 Q89 V137 L141 F169V81-I87 HydrophobicContact CB-CD1 3.76Å; V81-I87 HydrophobicContact CG2-CD1 3.94Å; V81-I87 HydrophobicContact CG2-CG2 3.83Å; H84-I87 HydrophobicContact CB-CB 4.15Å; H84-I87 HydrophobicContact CB-CD1 3.73Å; H84-I87 HydrophobicContact CB-CG1 3.94Å; H84-I87 PolarHBondContact O-N 3Å; H84-I87 VanDerWaalsContact O-N 3.17Å; I87-Q89 PolarHBondContact O-NE2 2.92Å; I87-V137 HydrophobicContact CD1-CG1 3.89Å; I87-V137 HydrophobicContact CG1-CB 4.47Å; I87-V137 HydrophobicContact CG1-CG1 3.65Å; I87-V137 HydrophobicContact CG1-CG2 4.03Å; I87-L141 HydrophobicContact CD1-CD2 4.11Å; I87-F169 HydrophobicContact CD1-CZ 4.44Å; I87-F169 HydrophobicContact CG2-CE2 3.72Å; I87-F169 HydrophobicContact CG2-CZ 3.7Å
88I96.9Very high95Very high4 Ų447.9 Ų47.92%0.02126%0.258CS..  trans-60.7135.6174.3-164.761.9000110.5L78 F104 D105 M107 L166L78-I88 HydrophobicContact CD2-CG2 4.13Å; I88-F104 HydrophobicContact CD1-CB 4.35Å; I88-F104 HydrophobicContact CG1-CB 3.94Å; I88-F104 HydrophobicContact CG1-CD1 3.78Å; I88-F104 HydrophobicContact CG1-CG 4.12Å; I88-F104 HydrophobicContact CG2-CD1 4.09Å; I88-F104 HydrophobicContact CG2-CE1 4.17Å; I88-D105 HydrophobicContact CD1-CB 4.3Å; I88-D105 WeakPolarHBondContact CD1-O 3.39Å; I88-M107 HydrophobicContact CD1-CE 3.63Å; I88-M107 HydrophobicContact CD1-CG 3.97Å; I88-L166 WeakPolarHBondContact CB-O 3.4Å; I88-L166 WeakPolarHBondContact CG2-O 3.35Å; I88-L166 PolarHBondContact N-O 2.88Å
89Q96.4Very high94.7Very high23 Ų2351.3 Ų51.311%0.10727%0.273CS..  trans-96.4119.3-176.4-54.6-62.6-56.300110.5S82 H84 I87 K91 F104 D105S82-Q89 PolarHBondContact OG-OE1 3.02Å; H84-Q89 PolarHBondContact O-NE2 3.07Å; I87-Q89 PolarHBondContact O-NE2 2.92Å; Q89-K91 HydrophobicContact CB-CD 4.49Å; Q89-K91 PolarHBondContact O-N 3.37Å; Q89-F104 VanDerWaalsContact O-CA 3.31Å; Q89-F104 WeakPolarHBondContact O-CA 3.49Å; Q89-D105 VanDerWaalsContact CB-OD2 3.25Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.25Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.34Å; Q89-D105 PolarHBondContact O-N 3.43Å
90L97.3Very high94.6Very high21 Ų2144.5 Ų44.511%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-74.6115.8168.4-175.866.9000109.1V75 L78 R79 T93 L102 V103 F104V75-L90 HydrophobicContact CG1-CD2 4.18Å; L78-L90 HydrophobicContact CB-CB 4.28Å; L78-L90 HydrophobicContact CB-CD2 3.94Å; L78-L90 HydrophobicContact CD1-CD2 4.27Å; R79-L90 HydrophobicContact CG-CD2 4.39Å; L90-T93 HydrophobicContact CD1-CG2 3.9Å; L90-T93 HydrophobicContact CD2-CG2 3.63Å; L90-T93 HydrophobicContact CG-CG2 3.95Å; L90-L102 HydrophobicContact CD1-CB 3.86Å; L90-L102 HydrophobicContact CD1-CD2 4.49Å; L90-V103 CarbonylContact C-O 3.57Å; L90-F104 HydrophobicContact CB-CD1 4.27Å; L90-F104 HydrophobicContact CB-CE1 3.99Å; L90-F104 HydrophobicContact CD1-CD1 4.13Å; L90-F104 HydrophobicContact CD1-CE1 3.63Å; L90-F104 HydrophobicContact CD1-CE2 4.39Å; L90-F104 HydrophobicContact CD1-CZ 3.78Å; L90-F104 HydrophobicContact CG-CE1 4.41Å
91K96.6Very high94.6Very high86 Ų8640.2 Ų40.237%0.37423%0.229SC..EExtended strand (participates in β ladder)trans-89.4-54.4-178.6-59-56.5-179.6-173.40111.7Y46 Q89 V103 D105Y46-K91 HydrophobicContact CD1-CG 4.12Å; Y46-K91 HydrophobicContact CE1-CD 4.5Å; Y46-K91 HydrophobicContact CE1-CG 3.84Å; Q89-K91 HydrophobicContact CB-CD 4.49Å; Q89-K91 PolarHBondContact O-N 3.37Å; K91-V103 HydrophobicContact CB-CG1 4.34Å; K91-V103 PolarHBondContact N-O 2.91Å; K91-D105 WeakPolarHBondContact CE-OD1 3.48Å; K91-D105 VanDerWaalsContact CE-OD2 3.27Å; K91-D105 WeakPolarHBondContact CE-OD2 3.34Å; K91-D105 IonicContact NZ-OD1 3.55Å; K91-D105 PolarHBondContact NZ-OD1 3.09Å; K91-D105 VanDerWaalsContact NZ-OD1 3.08Å; K91-D105 IonicContact NZ-OD2 3.93Å; K91-D105 PolarHBondContact NZ-OD2 3.44Å
92D95.7Very high94.6Very high60 Ų6039.8 Ų39.832%0.32123%0.226SC..EExtended strand (participates in β ladder)trans-138.8156.1-177.1-71.4-37.6000110.9Y20 Y94 V103Y20-D92 HydrophobicContact CE2-CB 4.44Å; Y20-D92 WeakPolarHBondContact CE2-OD2 3.35Å; Y20-D92 PolarHBondContact OH-OD2 2.74Å; D92-Y94 HydrophobicContact CB-CE2 3.84Å; D92-V103 HydrophobicContact CB-CB 4.09Å; D92-V103 HydrophobicContact CB-CG2 4.1Å; D92-V103 PolarHBondContact O-N 3.41Å
93T95.8Very high94.7Very high48 Ų4836.7 Ų36.729%0.29420%0.204SC..EExtended strand (participates in β ladder)trans-136.5131.1177.2550000110.1V75 R79 L90 F101 L102V75-T93 HydrophobicContact CG1-CG2 4.09Å; V75-T93 HydrophobicContact CG2-CG2 4.46Å; R79-T93 PolarHBondContact NH2-OG1 2.7Å; R79-T93 VanDerWaalsContact NH2-OG1 3.1Å; L90-T93 HydrophobicContact CD1-CG2 3.9Å; L90-T93 HydrophobicContact CD2-CG2 3.63Å; L90-T93 HydrophobicContact CG-CG2 3.95Å; T93-F101 CarbonylContact C-O 3.56Å; T93-F101 WeakPolarHBondContact CA-O 3.2Å; T93-L102 HydrophobicContact CG2-CD2 3.8Å
94Y95.1Very high94.9Very high30 Ų3034.5 Ų34.512%0.11818%0.177CC..EExtended strand (participates in β ladder)trans-125.9132.6171.3-51.8-97.6000109.1D15 F16 Y20 D92 F101 V103D15-Y94 HydrophobicContact CB-CD1 3.96Å; D15-Y94 HydrophobicContact CB-CE1 3.93Å; F16-Y94 HydrophobicContact CB-CD1 4.1Å; F16-Y94 HydrophobicContact CB-CD2 3.87Å; F16-Y94 HydrophobicContact CB-CE1 4.47Å; F16-Y94 HydrophobicContact CB-CE2 4.26Å; F16-Y94 HydrophobicContact CB-CG 3.79Å; F16-Y94 AromaticContact CD2-CD2 3.75Å; F16-Y94 HydrophobicContact CD2-CD2 3.75Å; F16-Y94 AromaticContact CD2-CE2 3.85Å; F16-Y94 HydrophobicContact CD2-CE2 3.85Å; F16-Y94 HydrophobicContact CG-CD2 4.29Å; Y20-Y94 HydrophobicContact CD2-CE2 4.13Å; Y20-Y94 HydrophobicContact CE2-CE2 4.02Å; Y20-Y94 WeakPolarHBondContact CE2-OH 3.45Å; D92-Y94 HydrophobicContact CB-CE2 3.84Å; Y94-F101 HydrophobicContact CD2-CB 4.24Å; Y94-F101 PolarHBondContact N-O 3.3Å; Y94-F101 PolarHBondContact O-N 2.6Å; Y94-V103 HydrophobicContact CE2-CG2 4.33Å
95E92.1Very high94.8Very high74 Ų7434.4 Ų34.435%0.34618%0.179SC..EExtended strand (participates in β ladder)trans-122.7128.6-176.2175177.7177.600110S12 R68 F100S12-E95 WeakPolarHBondContact CB-O 3.3Å; S12-E95 VanDerWaalsContact OG-C 3.27Å; S12-E95 PolarHBondContact OG-N 3.4Å; S12-E95 PolarHBondContact OG-O 2.82Å; R68-E95 IonicContact CZ-OE1 2.83Å; R68-E95 VanDerWaalsContact CZ-OE1 3.25Å; R68-E95 IonicContact NE-OE1 3.34Å; R68-E95 PolarHBondContact NE-OE1 3.05Å; R68-E95 IonicContact NH2-OE1 3.45Å; R68-E95 PolarHBondContact NH2-OE1 3.04Å; E95-F100 HydrophobicContact CB-CD1 4.22Å; E95-F100 HydrophobicContact CB-CE1 3.96Å; E95-F100 HydrophobicContact CB-CZ 4.33Å; E95-F100 HydrophobicContact CG-CD1 4.23Å; E95-F100 HydrophobicContact CG-CE1 3.62Å; E95-F100 HydrophobicContact CG-CE2 3.98Å; E95-F100 HydrophobicContact CG-CZ 3.5Å; E95-F100 VanDerWaalsContact CG-CZ 3.5Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.49Å
96T89.7Confident94.8Very high6 Ų632 Ų324%0.03716%0.161CC..  trans-121.3178.9169.177.10000110.1A13 R68 T98 F99 F101A13-T96 HydrophobicContact CB-CG2 3.84Å; R68-T96 PolarHBondContact NH2-O 2.82Å; T96-T98 PolarHBondContact O-N 2.99Å; T96-T98 PolarHBondContact OG1-N 3Å; T96-T98 PolarHBondContact OG1-OG1 3.42Å; T96-F99 PolarHBondContact N-O 2.98Å; T96-F99 PolarHBondContact OG1-N 2.92Å; T96-F99 PolarHBondContact OG1-O 2.8Å; T96-F101 HydrophobicContact CG2-CE2 4.33Å
97N85.9Confident94.7Very high74 Ų7432.2 Ų32.240%0.39616%0.162SC..SBendtrans-69-17.6173.6-64.8-36.6000113.7D9 V53 R68D9-N97 WeakPolarHBondContact OD1-CB 3.38Å; D9-N97 PolarHBondContact OD1-N 3.38Å; D9-N97 PolarHBondContact OD1-ND2 2.79Å; D9-N97 PolarHBondContact OD2-ND2 3.32Å; V53-N97 WeakPolarHBondContact CG2-O 3.45Å; R68-N97 PolarHBondContact NH1-OD1 3.21Å
98T88.6Confident94.4Very high51 Ų5138.1 Ų38.131%0.31319%0.187SC..SBendtrans-114.2-28.2-17450.60000113.6V53 T54 T96V53-T98 VanDerWaalsContact CG2-C 3.5Å; V53-T98 VanDerWaalsContact CG2-O 3.3Å; V53-T98 WeakPolarHBondContact CG2-O 3.31Å; V53-T98 PolarHBondContact N-O 2.76Å; T54-T98 HydrophobicContact CG2-CG2 3.93Å; T96-T98 PolarHBondContact O-N 2.99Å; T96-T98 PolarHBondContact OG1-N 3Å; T96-T98 PolarHBondContact OG1-OG1 3.42Å
99F91.6Very high94.2Very high76 Ų7644.2 Ų44.233%0.33321%0.21SC..EExtended strand (participates in β ladder)trans-138.4146.7-174-59.8-75.3000113.2V50 I51 D52 T96 F101V50-F99 HydrophobicContact CG1-CD1 4.09Å; I51-F99 CarbonylContact O-C 3.6Å; I51-F99 WeakPolarHBondContact O-CA 3.5Å; D52-F99 HydrophobicContact CB-CD1 4.01Å; D52-F99 HydrophobicContact CB-CE1 3.72Å; T96-F99 PolarHBondContact N-O 2.98Å; T96-F99 PolarHBondContact OG1-N 2.92Å; T96-F99 PolarHBondContact OG1-O 2.8Å; F99-F101 HydrophobicContact CB-CD2 4.4Å; F99-F101 HydrophobicContact CB-CE2 3.7Å; F99-F101 HydrophobicContact CB-CZ 3.97Å; F99-F101 HydrophobicContact CG-CZ 4.49Å
100F94.8Very high94.1Very high5 Ų544.3 Ų44.32%0.02222%0.217CC..EExtended strand (participates in β ladder)trans-107.5134.9160-78.6-107.9000109.6V50 I51 V53 R68 T71 L72 E95V50-F100 CarbonylContact C-O 3.55Å; V50-F100 VanDerWaalsContact CA-O 3.31Å; V50-F100 WeakPolarHBondContact CA-O 3.36Å; I51-F100 HydrophobicContact CB-CB 4.25Å; I51-F100 HydrophobicContact CD1-CB 4.48Å; I51-F100 PolarHBondContact N-O 2.82Å; I51-F100 PolarHBondContact O-N 2.89Å; V53-F100 HydrophobicContact CG1-CD2 3.56Å; V53-F100 HydrophobicContact CG1-CE2 3.77Å; R68-F100 HydrophobicContact CG-CE2 3.87Å; R68-F100 HydrophobicContact CG-CZ 3.93Å; T71-F100 HydrophobicContact CG2-CB 3.91Å; T71-F100 HydrophobicContact CG2-CD1 3.59Å; T71-F100 HydrophobicContact CG2-CD2 3.97Å; T71-F100 HydrophobicContact CG2-CE1 4.05Å; T71-F100 HydrophobicContact CG2-CE2 4.4Å; T71-F100 HydrophobicContact CG2-CG 3.54Å; T71-F100 HydrophobicContact CG2-CZ 4.42Å; L72-F100 HydrophobicContact CD2-CE1 3.84Å; L72-F100 HydrophobicContact CD2-CZ 4.08Å; L72-F100 HydrophobicContact CG-CE1 4.28Å; L72-F100 HydrophobicContact CG-CZ 4.16Å; E95-F100 HydrophobicContact CB-CD1 4.22Å; E95-F100 HydrophobicContact CB-CE1 3.96Å; E95-F100 HydrophobicContact CB-CZ 4.33Å; E95-F100 HydrophobicContact CG-CD1 4.23Å; E95-F100 HydrophobicContact CG-CE1 3.62Å; E95-F100 HydrophobicContact CG-CE2 3.98Å; E95-F100 HydrophobicContact CG-CZ 3.5Å; E95-F100 VanDerWaalsContact CG-CZ 3.5Å; E95-F100 WeakPolarHBondContact OE1-CZ 3.49Å
101F96.3Very high94Very high4 Ų446.5 Ų46.52%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-113.8111172-55.6-98.1000108.5F16 V48 V50 T93 Y94 T96 F99F16-F101 HydrophobicContact CB-CG 4.4Å; F16-F101 AromaticContact CD1-CD1 3.73Å; F16-F101 HydrophobicContact CD1-CD1 3.73Å; F16-F101 AromaticContact CD1-CE1 3.88Å; F16-F101 HydrophobicContact CD1-CE1 3.88Å; F16-F101 HydrophobicContact CD1-CG 4.34Å; F16-F101 HydrophobicContact CD2-CB 4.07Å; F16-F101 HydrophobicContact CD2-CD1 4.21Å; F16-F101 HydrophobicContact CD2-CG 4.27Å; F16-F101 AromaticContact CE1-CD1 3.92Å; F16-F101 HydrophobicContact CE1-CD1 3.92Å; F16-F101 HydrophobicContact CE1-CE1 4.13Å; F16-F101 HydrophobicContact CE2-CB 4.49Å; F16-F101 HydrophobicContact CE2-CD1 4.37Å; F16-F101 HydrophobicContact CG-CB 4.32Å; F16-F101 AromaticContact CG-CD1 3.9Å; F16-F101 HydrophobicContact CG-CD1 3.9Å; F16-F101 HydrophobicContact CG-CE1 4.4Å; F16-F101 HydrophobicContact CG-CG 4.05Å; F16-F101 HydrophobicContact CZ-CD1 4.25Å; V48-F101 HydrophobicContact CG2-CB 4.07Å; V48-F101 HydrophobicContact CG2-CD1 4.3Å; V50-F101 HydrophobicContact CB-CD1 4.45Å; V50-F101 HydrophobicContact CG1-CD1 4.06Å; V50-F101 HydrophobicContact CG1-CE1 3.78Å; V50-F101 HydrophobicContact CG1-CZ 4.32Å; V50-F101 HydrophobicContact CG2-CD1 3.81Å; V50-F101 HydrophobicContact CG2-CE1 4.04Å; T93-F101 CarbonylContact C-O 3.56Å; T93-F101 WeakPolarHBondContact CA-O 3.2Å; Y94-F101 HydrophobicContact CD2-CB 4.24Å; Y94-F101 PolarHBondContact N-O 3.3Å; Y94-F101 PolarHBondContact O-N 2.6Å; T96-F101 HydrophobicContact CG2-CE2 4.33Å; F99-F101 HydrophobicContact CB-CD2 4.4Å; F99-F101 HydrophobicContact CB-CE2 3.7Å; F99-F101 HydrophobicContact CB-CZ 3.97Å; F99-F101 HydrophobicContact CG-CZ 4.49Å
102L96.7Very high94Very high0 Ų042.4 Ų42.40%021%0.209CC..EExtended strand (participates in β ladder)trans-109.4114.4177.9-51.6-175.2000108.7V48 K49 I51 V75 L90 T93 F104V48-L102 CarbonylContact C-O 3.57Å; V48-L102 WeakPolarHBondContact CA-O 3.46Å; K49-L102 HydrophobicContact CB-CB 4.34Å; K49-L102 PolarHBondContact N-O 3.25Å; K49-L102 PolarHBondContact O-N 3.28Å; I51-L102 HydrophobicContact CD1-CD1 4.02Å; V75-L102 HydrophobicContact CG2-CD1 4.12Å; V75-L102 HydrophobicContact CG2-CD2 3.52Å; V75-L102 HydrophobicContact CG2-CG 4.5Å; L90-L102 HydrophobicContact CD1-CB 3.86Å; L90-L102 HydrophobicContact CD1-CD2 4.49Å; T93-L102 HydrophobicContact CG2-CD2 3.8Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.46Å; L102-F104 VanDerWaalsContact CB-CE2 3.46Å; L102-F104 HydrophobicContact CB-CZ 3.76Å; L102-F104 HydrophobicContact CD1-CE2 4.5Å; L102-F104 HydrophobicContact CD1-CZ 4.25Å; L102-F104 WeakPolarHBondContact O-CD2 3.27Å; L102-F104 WeakPolarHBondContact O-CE2 3.31Å
103V97.8Very high93.9Very high0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-95.4128-177.3-175.70000109.8F16 Y20 Y46 A47 V48 L90 K91 D92 Y94F16-V103 HydrophobicContact CE2-CG2 4.19Å; Y20-V103 HydrophobicContact CE1-CG1 3.75Å; Y20-V103 HydrophobicContact CE1-CG2 4.45Å; Y20-V103 HydrophobicContact CE2-CG2 4.24Å; Y46-V103 HydrophobicContact CD1-CG1 4.37Å; Y46-V103 HydrophobicContact CG-CG1 4.01Å; A47-V103 CarbonylContact O-C 3.6Å; A47-V103 WeakPolarHBondContact O-CA 3.42Å; V48-V103 HydrophobicContact CG2-CG2 4.27Å; L90-V103 CarbonylContact C-O 3.57Å; K91-V103 HydrophobicContact CB-CG1 4.34Å; K91-V103 PolarHBondContact N-O 2.91Å; D92-V103 HydrophobicContact CB-CB 4.09Å; D92-V103 HydrophobicContact CB-CG2 4.1Å; D92-V103 PolarHBondContact O-N 3.41Å; Y94-V103 HydrophobicContact CE2-CG2 4.33Å
104F97.5Very high93.7Very high15 Ų1545.3 Ų45.37%0.06622%0.219CC..EExtended strand (participates in β ladder)trans-126.9160.4-176-61.5-81000112.1Y46 A47 K49 L78 I88 Q89 L90 L102 L106Y46-F104 WeakPolarHBondContact CA-O 3.09Å; Y46-F104 WeakPolarHBondContact CB-O 3.35Å; Y46-F104 WeakPolarHBondContact CD1-O 3.3Å; A47-F104 PolarHBondContact N-O 2.94Å; A47-F104 PolarHBondContact O-N 3.36Å; K49-F104 HydrophobicContact CB-CD2 4.44Å; K49-F104 HydrophobicContact CB-CE2 3.9Å; K49-F104 HydrophobicContact CD-CE2 4.48Å; L78-F104 HydrophobicContact CD1-CE1 3.77Å; L78-F104 HydrophobicContact CD1-CZ 3.83Å; L78-F104 HydrophobicContact CD2-CE1 4.24Å; I88-F104 HydrophobicContact CD1-CB 4.35Å; I88-F104 HydrophobicContact CG1-CB 3.94Å; I88-F104 HydrophobicContact CG1-CD1 3.78Å; I88-F104 HydrophobicContact CG1-CG 4.12Å; I88-F104 HydrophobicContact CG2-CD1 4.09Å; I88-F104 HydrophobicContact CG2-CE1 4.17Å; Q89-F104 VanDerWaalsContact O-CA 3.31Å; Q89-F104 WeakPolarHBondContact O-CA 3.49Å; L90-F104 HydrophobicContact CB-CD1 4.27Å; L90-F104 HydrophobicContact CB-CE1 3.99Å; L90-F104 HydrophobicContact CD1-CD1 4.13Å; L90-F104 HydrophobicContact CD1-CE1 3.63Å; L90-F104 HydrophobicContact CD1-CE2 4.39Å; L90-F104 HydrophobicContact CD1-CZ 3.78Å; L90-F104 HydrophobicContact CG-CE1 4.41Å; L102-F104 HydrophobicContact CB-CD2 4.36Å; L102-F104 HydrophobicContact CB-CE2 3.46Å; L102-F104 VanDerWaalsContact CB-CE2 3.46Å; L102-F104 HydrophobicContact CB-CZ 3.76Å; L102-F104 HydrophobicContact CD1-CE2 4.5Å; L102-F104 HydrophobicContact CD1-CZ 4.25Å; L102-F104 WeakPolarHBondContact O-CD2 3.27Å; L102-F104 WeakPolarHBondContact O-CE2 3.31Å; F104-L106 PolarHBondContact O-N 2.83Å
105D95.1Very high93.7Very high41 Ų4145.5 Ų45.522%0.21922%0.22CC..EExtended strand (participates in β ladder)trans-54.2135.9164.4-75.9-38.6000111I88 Q89 K91 M107I88-D105 HydrophobicContact CD1-CB 4.3Å; I88-D105 WeakPolarHBondContact CD1-O 3.39Å; Q89-D105 VanDerWaalsContact CB-OD2 3.25Å; Q89-D105 WeakPolarHBondContact CB-OD2 3.25Å; Q89-D105 WeakPolarHBondContact CG-OD2 3.34Å; Q89-D105 PolarHBondContact O-N 3.43Å; K91-D105 WeakPolarHBondContact CE-OD1 3.48Å; K91-D105 VanDerWaalsContact CE-OD2 3.27Å; K91-D105 WeakPolarHBondContact CE-OD2 3.34Å; K91-D105 IonicContact NZ-OD1 3.55Å; K91-D105 PolarHBondContact NZ-OD1 3.09Å; K91-D105 VanDerWaalsContact NZ-OD1 3.08Å; K91-D105 IonicContact NZ-OD2 3.93Å; K91-D105 PolarHBondContact NZ-OD2 3.44Å; D105-M107 HydrophobicContact CB-CE 3.42Å; D105-M107 VanDerWaalsContact CB-CE 3.42Å
106L95.6Very high93.7Very high33 Ų3342.4 Ų42.417%0.17321%0.206CC..  trans-78.3124.1177.2-179.964.7000111.1L26 R36 E45 A47 F104 K108L26-L106 HydrophobicContact CD1-CD1 3.61Å; R36-L106 HydrophobicContact CG-CD1 4.47Å; R36-L106 HydrophobicContact CG-CD2 4.08Å; E45-L106 HydrophobicContact CB-CD2 3.84Å; A47-L106 HydrophobicContact CB-CD1 4.14Å; F104-L106 PolarHBondContact O-N 2.83Å; L106-K108 HydrophobicContact CD2-CG 4.23Å; L106-K108 HydrophobicContact CG-CG 4.26Å
107M95.4Very high93.6Very high24 Ų2446.4 Ų46.412%0.11823%0.23CC..  trans-10096.6175.7-61.4-59134.100110.7I88 D105 R109 G110 L157 D159 K165I88-M107 HydrophobicContact CD1-CE 3.63Å; I88-M107 HydrophobicContact CD1-CG 3.97Å; D105-M107 HydrophobicContact CB-CE 3.42Å; D105-M107 VanDerWaalsContact CB-CE 3.42Å; M107-R109 VanDerWaalsContact C-N 3.29Å; M107-R109 PolarHBondContact O-N 3.46Å; M107-G110 PolarHBondContact O-N 2.94Å; M107-L157 HydrophobicContact CB-CB 3.74Å; M107-L157 HydrophobicContact CB-CD1 3.94Å; M107-L157 HydrophobicContact CB-CG 4.38Å; M107-L157 HydrophobicContact CG-CB 3.63Å; M107-L157 HydrophobicContact CG-CD1 3.69Å; M107-L157 HydrophobicContact CG-CG 4.31Å; M107-D159 HydrophobicContact SD-CB 4.08Å; M107-K165 HydrophobicContact CE-CG 4Å; M107-K165 HydrophobicContact SD-CB 4.28Å; M107-K165 HydrophobicContact SD-CG 3.65Å
108K90.8Very high93.8Very high125 Ų12550.1 Ų50.154%0.54325%0.245SC..THydrogen-bonded Turntrans-69.7-21.6-170.5-66.4-177.6176.5-176.30114.5E45 L106 G110E45-K108 IonicContact OE2-NZ 3.08Å; E45-K108 PolarHBondContact OE2-NZ 2.87Å; L106-K108 HydrophobicContact CD2-CG 4.23Å; L106-K108 HydrophobicContact CG-CG 4.26Å; K108-G110 VanDerWaalsContact C-N 3.31Å
109R93.3Very high93.8Very high132 Ų13252.4 Ų52.450%0.49825%0.251SS..THydrogen-bonded Turntrans-90.34177.5-60.8-164.4-177.5-89.3-2.3113.4M107 L158 D159 D160 M162M107-R109 VanDerWaalsContact C-N 3.29Å; M107-R109 PolarHBondContact O-N 3.46Å; R109-L158 HydrophobicContact CB-CB 3.69Å; R109-L158 WeakPolarHBondContact CB-O 3.49Å; R109-L158 PolarHBondContact N-O 2.9Å; R109-D159 WeakPolarHBondContact CD-O 3.44Å; R109-D159 WeakPolarHBondContact CG-O 3.41Å; R109-D159 PolarHBondContact NE-O 2.84Å; R109-D160 PolarHBondContact NE-O 2.9Å; R109-D160 PolarHBondContact NH2-O 3.28Å; R109-M162 WeakPolarHBondContact CD-SD 3.3Å
110G94.2Very high93.6Very high25 Ų2553.7 Ų53.726%0.25826%0.264SS..  trans67.3-147.3174.200000113M107 K108 L157 L158M107-G110 PolarHBondContact O-N 2.94Å; K108-G110 VanDerWaalsContact C-N 3.31Å; G110-L157 CarbonylContact O-C 3.5Å; G110-L157 VanDerWaalsContact O-CA 3.31Å; G110-L157 WeakPolarHBondContact O-CA 3.15Å; G110-L158 PolarHBondContact O-N 3.38Å
111E95.6Very high93.4Very high68 Ų6856.3 Ų56.332%0.31828%0.281SS..BIsolated β-bridgetrans-86148-173.3-59.2176-16400112.1F113 D114 Y115 E154 L157E111-F113 HydrophobicContact CB-CB 4.41Å; E111-F113 PolarHBondContact O-N 2.92Å; E111-D114 PolarHBondContact O-N 3.07Å; E111-Y115 PolarHBondContact O-N 3.24Å; E111-E154 WeakPolarHBondContact OE2-CA 3.32Å; E111-L157 HydrophobicContact CB-CD2 4.47Å; E111-L157 HydrophobicContact CG-CD2 3.81Å
112L96.6Very high93.2Very high0 Ų056.1 Ų56.10%028%0.28CS..Hα-helixtrans-63.4-28.2172.5176.962.6000111.2Y115 L116 I130 P153 I156 L158 L223L112-Y115 HydrophobicContact CD1-CD1 4.07Å; L112-Y115 PolarHBondContact O-N 3.49Å; L112-L116 WeakPolarHBondContact O-CB 3.22Å; L112-L116 PolarHBondContact O-N 2.8Å; L112-I130 HydrophobicContact CD1-CD1 3.95Å; L112-I130 HydrophobicContact CD2-CG2 3.94Å; L112-P153 HydrophobicContact CB-CB 4.46Å; L112-P153 WeakPolarHBondContact CB-O 3.46Å; L112-P153 HydrophobicContact CG-CB 4.41Å; L112-P153 PolarHBondContact N-O 3.37Å; L112-I156 HydrophobicContact CB-CB 4.02Å; L112-I156 HydrophobicContact CB-CG2 4.11Å; L112-I156 VanDerWaalsContact CB-O 3.23Å; L112-I156 WeakPolarHBondContact CB-O 3.48Å; L112-I156 HydrophobicContact CD2-CB 4.07Å; L112-I156 HydrophobicContact CD2-CD1 4.1Å; L112-I156 HydrophobicContact CD2-CG2 3.87Å; L112-I156 PolarHBondContact N-O 3.36Å; L112-L158 HydrophobicContact CD1-CD1 4.33Å; L112-L223 HydrophobicContact CD1-CD2 4.22Å; L112-L223 HydrophobicContact CD2-CD1 4.39Å; L112-L223 HydrophobicContact CD2-CD2 3.98Å; L112-L223 HydrophobicContact CG-CD2 4.07Å
113F93.8Very high93.1Very high79 Ų7958.6 Ų58.635%0.34630%0.298SS..Hα-helixtrans-60-48.6173.2-176.3-95.4000112.5E111 Y115 L116 T117 P153 E154E111-F113 HydrophobicContact CB-CB 4.41Å; E111-F113 PolarHBondContact O-N 2.92Å; F113-Y115 VanDerWaalsContact C-N 3.33Å; F113-Y115 PolarHBondContact O-N 3.07Å; F113-L116 PolarHBondContact O-N 3.33Å; F113-T117 WeakPolarHBondContact O-CB 3.29Å; F113-T117 PolarHBondContact O-N 2.89Å; F113-T117 PolarHBondContact O-OG1 3.34Å; F113-P153 HydrophobicContact CB-CB 3.96Å; F113-P153 HydrophobicContact CD2-CB 4.4Å; F113-P153 PolarHBondContact N-O 2.92Å; F113-E154 HydrophobicContact CB-CG 3.92Å; F113-E154 HydrophobicContact CD2-CG 4.28Å; F113-E154 HydrophobicContact CG-CG 4.01Å
114D92.2Very high92.9Very high90 Ų9060.4 Ų60.448%0.48131%0.306SS..Hα-helixtrans-64.4-41.4177.8-70.4-28.7000110.9E111 L116 T117 E118E111-D114 PolarHBondContact O-N 3.07Å; D114-L116 PolarHBondContact O-N 2.9Å; D114-T117 WeakPolarHBondContact O-CB 3.27Å; D114-T117 PolarHBondContact O-N 2.99Å; D114-E118 PolarHBondContact O-N 2.86Å
115Y94.1Very high92.7Very high34 Ų3466.6 Ų66.613%0.13333%0.333CS..Hα-helixtrans-61-43.3175.2-179.5-108.8000112.4E111 L112 F113 T117 E118 K119 L122 E126 L158 M162E111-Y115 PolarHBondContact O-N 3.24Å; L112-Y115 HydrophobicContact CD1-CD1 4.07Å; L112-Y115 PolarHBondContact O-N 3.49Å; F113-Y115 VanDerWaalsContact C-N 3.33Å; F113-Y115 PolarHBondContact O-N 3.07Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-E118 PolarHBondContact O-N 3.32Å; Y115-K119 HydrophobicContact CD2-CG 4.31Å; Y115-K119 HydrophobicContact CE1-CG 4.13Å; Y115-K119 HydrophobicContact CE2-CD 4.39Å; Y115-K119 HydrophobicContact CE2-CG 3.85Å; Y115-K119 WeakPolarHBondContact O-CB 3.41Å; Y115-K119 WeakPolarHBondContact O-CG 3.38Å; Y115-K119 PolarHBondContact O-N 3.47Å; Y115-K119 WeakPolarHBondContact OH-CE 3.47Å; Y115-L122 HydrophobicContact CD1-CD2 4.13Å; Y115-L122 HydrophobicContact CE1-CD1 4.33Å; Y115-L122 HydrophobicContact CE1-CD2 3.57Å; Y115-E126 PolarHBondContact OH-OE1 2.74Å; Y115-L158 HydrophobicContact CD1-CD1 4.08Å; Y115-L158 HydrophobicContact CD2-CD1 4.35Å; Y115-L158 HydrophobicContact CG-CD1 3.73Å; Y115-M162 HydrophobicContact CD1-CE 4.1Å; Y115-M162 HydrophobicContact CD2-CE 3.77Å; Y115-M162 HydrophobicContact CE1-CE 3.71Å; Y115-M162 HydrophobicContact CE2-CE 3.35Å; Y115-M162 HydrophobicContact CE2-SD 4.49Å; Y115-M162 HydrophobicContact CG-CE 4.12Å
116L92.1Very high92.7Very high9 Ų968.2 Ų68.25%0.04734%0.339CS..Hα-helixtrans-63.5-41.7174.2178.965.8000111L112 F113 D114 E118 K119 V120 L122 T222 L223L112-L116 WeakPolarHBondContact O-CB 3.22Å; L112-L116 PolarHBondContact O-N 2.8Å; F113-L116 PolarHBondContact O-N 3.33Å; D114-L116 PolarHBondContact O-N 2.9Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 2.66Å; L116-K119 CarbonylContact O-C 3.6Å; L116-K119 PolarHBondContact O-N 3.32Å; L116-V120 WeakPolarHBondContact O-CA 3.4Å; L116-V120 PolarHBondContact O-N 3.31Å; L116-L122 HydrophobicContact CD1-CG 4.11Å; L116-T222 HydrophobicContact CD2-CG2 3.84Å; L116-L223 HydrophobicContact CD1-CD2 4.42Å; L116-L223 HydrophobicContact CD2-CD2 4.28Å
117T87.6Confident92.7Very high90 Ų9066.6 Ų66.655%0.55233%0.331SS*.Hα-helixtrans-61.6-39.9178.7-60.20000111.5F113 D114 Y115F113-T117 WeakPolarHBondContact O-CB 3.29Å; F113-T117 PolarHBondContact O-N 2.89Å; F113-T117 PolarHBondContact O-OG1 3.34Å; D114-T117 WeakPolarHBondContact O-CB 3.27Å; D114-T117 PolarHBondContact O-N 2.99Å; Y115-T117 VanDerWaalsContact C-N 3.34Å
118E91.1Very high92.8Very high151 Ų15168.6 Ų68.671%0.70634%0.337SS*.Hα-helixtrans-66.5-40.7174.5-169-166.915000112.1D114 Y115 L116D114-E118 PolarHBondContact O-N 2.86Å; Y115-E118 PolarHBondContact O-N 3.32Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 2.66Å
119K87.7Confident93Very high99 Ų9969.6 Ų69.643%0.4334%0.341SS..Hα-helixtrans-86.2-16.5-176.2-67.5-66.8179.9-173.90114.7Y115 L116 T121 L122Y115-K119 HydrophobicContact CD2-CG 4.31Å; Y115-K119 HydrophobicContact CE1-CG 4.13Å; Y115-K119 HydrophobicContact CE2-CD 4.39Å; Y115-K119 HydrophobicContact CE2-CG 3.85Å; Y115-K119 WeakPolarHBondContact O-CB 3.41Å; Y115-K119 WeakPolarHBondContact O-CG 3.38Å; Y115-K119 PolarHBondContact O-N 3.47Å; Y115-K119 WeakPolarHBondContact OH-CE 3.47Å; L116-K119 CarbonylContact O-C 3.6Å; L116-K119 PolarHBondContact O-N 3.32Å; K119-T121 PolarHBondContact O-N 3.46Å; K119-L122 HydrophobicContact CB-CD2 3.94Å; K119-L122 HydrophobicContact CG-CD2 4.18Å
120V88.4Confident93.2Very high103 Ų10364 Ų6462%0.62432%0.321SS*.SBendtrans65.8-50.6-170-171.80000113.5L116 G226L116-V120 WeakPolarHBondContact O-CA 3.4Å; L116-V120 PolarHBondContact O-N 3.31Å; V120-G226 WeakPolarHBondContact O-CA 3.3Å
121T89.9Confident93.5Very high60 Ų6062.9 Ų62.937%0.36831%0.309SS..SBendtrans-143.8157176.956.40000110.4K119 L224K119-T121 PolarHBondContact O-N 3.46Å; T121-L224 WeakPolarHBondContact CG2-O 3.46Å
122L92.3Very high93.6Very high1 Ų163.8 Ų63.81%0.00531%0.31CS..  trans-109.1144.4175.1-58-170.5000111.7Y115 L116 K119 E126 I130 L223 Y257Y115-L122 HydrophobicContact CD1-CD2 4.13Å; Y115-L122 HydrophobicContact CE1-CD1 4.33Å; Y115-L122 HydrophobicContact CE1-CD2 3.57Å; L116-L122 HydrophobicContact CD1-CG 4.11Å; K119-L122 HydrophobicContact CB-CD2 3.94Å; K119-L122 HydrophobicContact CG-CD2 4.18Å; L122-E126 HydrophobicContact CB-CB 4.39Å; L122-I130 HydrophobicContact CD1-CD1 3.57Å; L122-L223 HydrophobicContact CD1-CB 4.29Å; L122-L223 HydrophobicContact CD1-CD2 3.87Å; L122-L223 HydrophobicContact CD1-CG 4.44Å; L122-L223 PolarHBondContact N-O 2.83Å; L122-Y257 PolarHBondContact O-OH 3.38Å
123S93.4Very high93.6Very high52 Ų5264.4 Ų64.436%0.36432%0.315SS..  trans-65.6153.5172.866.80000111.4K125 E126 T127S123-K125 PolarHBondContact O-N 2.9Å; S123-E126 PolarHBondContact N-OE2 2.7Å; S123-E126 PolarHBondContact O-N 3.25Å; S123-E126 WeakPolarHBondContact OG-CG 3.48Å; S123-E126 PolarHBondContact OG-N 2.77Å; S123-E126 PolarHBondContact OG-OE2 2.91Å; S123-T127 PolarHBondContact O-N 3.47Å; S123-T127 PolarHBondContact O-OG1 3.12Å
124E94.5Very high93.9Very high38 Ų3860.6 Ų60.618%0.17830%0.298CS..Hα-helixtrans-53.9-31.8173.7-71.2-164.9-170.200112.8R128 L224 Y257 S258 V261 F287E124-R128 WeakPolarHBondContact O-CB 3.45Å; E124-R128 PolarHBondContact O-N 3.23Å; E124-R128 PolarHBondContact O-NH1 2.92Å; E124-R128 IonicContact OE2-NH2 3.41Å; E124-R128 PolarHBondContact OE2-NH2 3.49Å; E124-L224 HydrophobicContact CG-CD2 4.39Å; E124-Y257 HydrophobicContact CG-CD1 3.73Å; E124-Y257 HydrophobicContact CG-CE1 4.2Å; E124-S258 VanDerWaalsContact OE1-CB 3.28Å; E124-S258 WeakPolarHBondContact OE1-CB 3.49Å; E124-S258 PolarHBondContact OE1-N 3.36Å; E124-S258 PolarHBondContact OE1-OG 2.96Å; E124-S258 PolarHBondContact OE2-OG 3.36Å; E124-V261 HydrophobicContact CG-CG1 4.43Å; E124-F287 HydrophobicContact CB-CE2 4.39Å
125K93.2Very high94.2Very high145 Ų14556.3 Ų56.363%0.6328%0.275SS*.Hα-helixtrans-66-43.4179.1-175.3-179.4178.3-177.90111.8S123 K129S123-K125 PolarHBondContact O-N 2.9Å; K125-K129 PolarHBondContact O-N 2.92Å
126E94.4Very high94.4Very high74 Ų7458.3 Ų58.335%0.34629%0.286SS..Hα-helixtrans-71.7-48177.1-71.1164.4127.400110.5Y115 L122 S123 R128 K129 I130Y115-E126 PolarHBondContact OH-OE1 2.74Å; L122-E126 HydrophobicContact CB-CB 4.39Å; S123-E126 PolarHBondContact N-OE2 2.7Å; S123-E126 PolarHBondContact O-N 3.25Å; S123-E126 WeakPolarHBondContact OG-CG 3.48Å; S123-E126 PolarHBondContact OG-N 2.77Å; S123-E126 PolarHBondContact OG-OE2 2.91Å; E126-R128 VanDerWaalsContact C-N 3.26Å; E126-R128 PolarHBondContact O-N 3.44Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 PolarHBondContact O-N 3.3Å; E126-I130 PolarHBondContact O-N 3.38Å
127T96.7Very high94.7Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-54.8-42.9175.5-57.60000111S123 K129 I130 M131 M220 L223 L224S123-T127 PolarHBondContact O-N 3.47Å; S123-T127 PolarHBondContact O-OG1 3.12Å; T127-K129 VanDerWaalsContact C-N 3.31Å; T127-K129 PolarHBondContact O-N 3.03Å; T127-I130 PolarHBondContact O-N 2.92Å; T127-M131 HydrophobicContact CG2-CG 3.74Å; T127-M131 VanDerWaalsContact O-CB 3.26Å; T127-M131 WeakPolarHBondContact O-CB 3.28Å; T127-M131 WeakPolarHBondContact O-CG 3.43Å; T127-M131 PolarHBondContact O-N 2.8Å; T127-M220 HydrophobicContact CG2-CG 4.16Å; T127-L223 HydrophobicContact CG2-CB 4.38Å; T127-L223 HydrophobicContact CG2-CD1 4.42Å; T127-L224 HydrophobicContact CG2-CD1 4.4Å; T127-L224 HydrophobicContact CG2-CD2 4.06Å; T127-L224 HydrophobicContact CG2-CG 4.06Å
128R96.8Very high95.2Very high65 Ų6553.6 Ų53.625%0.24526%0.257CS..Hα-helixtrans-59.1-38.4176.1-174.2-176.1-65.199.54.2113.5E124 E126 R132 F287 F288E124-R128 WeakPolarHBondContact O-CB 3.45Å; E124-R128 PolarHBondContact O-N 3.23Å; E124-R128 PolarHBondContact O-NH1 2.92Å; E124-R128 IonicContact OE2-NH2 3.41Å; E124-R128 PolarHBondContact OE2-NH2 3.49Å; E126-R128 VanDerWaalsContact C-N 3.26Å; E126-R128 PolarHBondContact O-N 3.44Å; R128-R132 VanDerWaalsContact O-CB 3.27Å; R128-R132 WeakPolarHBondContact O-CB 3.27Å; R128-R132 PolarHBondContact O-N 2.87Å; R128-R132 VanDerWaalsContact O-N 3.11Å; R128-F287 HydrophobicContact CB-CE1 3.71Å; R128-F287 HydrophobicContact CB-CE2 4.46Å; R128-F287 HydrophobicContact CB-CZ 3.64Å; R128-F287 VanDerWaalsContact CD-O 3.3Å; R128-F287 WeakPolarHBondContact CD-O 3.32Å; R128-F287 HydrophobicContact CG-CD1 4.33Å; R128-F287 HydrophobicContact CG-CE1 3.93Å; R128-F287 HydrophobicContact CG-CZ 4.21Å; R128-F287 PolarHBondContact NE-O 3.37Å; R128-F288 HydrophobicContact CG-CD1 3.9Å; R128-F288 HydrophobicContact CG-CE1 4.23Å; R128-F288 WeakPolarHBondContact O-CE1 3.19Å
129K96.1Very high95.6Very high147 Ų14747.1 Ų47.164%0.63923%0.228SC*.Hα-helixtrans-69.7-48.1178.1-70.6179.1176-172.60111.2K125 E126 T127 R132 A133K125-K129 PolarHBondContact O-N 2.92Å; E126-K129 WeakPolarHBondContact O-CB 3.44Å; E126-K129 PolarHBondContact O-N 3.3Å; T127-K129 VanDerWaalsContact C-N 3.31Å; T127-K129 PolarHBondContact O-N 3.03Å; K129-R132 PolarHBondContact O-N 3.5Å; K129-A133 PolarHBondContact O-N 2.93Å
130I97.9Very high96.1Very high15 Ų1543.8 Ų43.88%0.07722%0.219CC..Hα-helixtrans-60.9-52.2179.3-70.7162.9000110.2L112 L122 E126 T127 R132 A133 L134 I164 L223L112-I130 HydrophobicContact CD1-CD1 3.95Å; L112-I130 HydrophobicContact CD2-CG2 3.94Å; L122-I130 HydrophobicContact CD1-CD1 3.57Å; E126-I130 PolarHBondContact O-N 3.38Å; T127-I130 PolarHBondContact O-N 2.92Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.16Å; I130-A133 PolarHBondContact O-N 2.96Å; I130-L134 WeakPolarHBondContact O-CB 3.47Å; I130-L134 PolarHBondContact O-N 3.44Å; I130-I164 HydrophobicContact CB-CG2 4.4Å; I130-I164 HydrophobicContact CG1-CG2 4.06Å; I130-I164 HydrophobicContact CG2-CG2 4.06Å; I130-I164 WeakPolarHBondContact O-CD1 3.44Å; I130-L223 HydrophobicContact CG2-CD1 3.88Å
131M98.5Very high96.5Very high0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-65.7-34.6-177.2-65-53.2-56.900112.6T127 L134 L135 T216 I219 M220 L223 F288T127-M131 HydrophobicContact CG2-CG 3.74Å; T127-M131 VanDerWaalsContact O-CB 3.26Å; T127-M131 WeakPolarHBondContact O-CB 3.28Å; T127-M131 WeakPolarHBondContact O-CG 3.43Å; T127-M131 PolarHBondContact O-N 2.8Å; M131-L134 HydrophobicContact CE-CD2 4.18Å; M131-L134 PolarHBondContact O-N 2.91Å; M131-L134 HydrophobicContact SD-CD2 4.35Å; M131-L135 WeakPolarHBondContact O-CB 3.48Å; M131-L135 WeakPolarHBondContact O-CD1 3.34Å; M131-L135 WeakPolarHBondContact O-CG 3.48Å; M131-L135 PolarHBondContact O-N 3.15Å; M131-T216 HydrophobicContact CE-CG2 3.31Å; M131-I219 HydrophobicContact SD-CG2 4.2Å; M131-M220 HydrophobicContact CE-CB 3.69Å; M131-M220 HydrophobicContact CE-CG 4.2Å; M131-M220 HydrophobicContact CE-SD 4.3Å; M131-M220 HydrophobicContact CG-CB 4.33Å; M131-M220 HydrophobicContact CG-CG 3.97Å; M131-M220 HydrophobicContact CG-SD 4.23Å; M131-M220 HydrophobicContact SD-CB 3.85Å; M131-M220 HydrophobicContact SD-CG 4.15Å; M131-L223 HydrophobicContact SD-CD1 4.08Å; M131-F288 HydrophobicContact CB-CE1 4Å; M131-F288 HydrophobicContact CB-CZ 3.81Å
132R98.1Very high96.9Very high87 Ų8737.2 Ų37.233%0.32818%0.177SC..Hα-helixtrans-60.5-53.6173.9176.5-175.6-64.3-92.21.4110.7R128 K129 I130 L134 L135 E136 L283 F288R128-R132 VanDerWaalsContact O-CB 3.27Å; R128-R132 WeakPolarHBondContact O-CB 3.27Å; R128-R132 PolarHBondContact O-N 2.87Å; R128-R132 VanDerWaalsContact O-N 3.11Å; K129-R132 PolarHBondContact O-N 3.5Å; I130-R132 VanDerWaalsContact C-N 3.34Å; I130-R132 PolarHBondContact O-N 3.16Å; R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 3.48Å; R132-L135 PolarHBondContact O-N 2.8Å; R132-E136 WeakPolarHBondContact CD-OE1 3.44Å; R132-E136 HydrophobicContact CG-CG 4.44Å; R132-E136 VanDerWaalsContact CG-OE1 3.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.47Å; R132-E136 PolarHBondContact O-N 3.1Å; R132-L283 HydrophobicContact CG-CD2 4.12Å; R132-F288 HydrophobicContact CB-CD1 3.91Å; R132-F288 HydrophobicContact CB-CE1 3.87Å; R132-F288 PolarHBondContact NH2-O 3.47Å
133A98.2Very high97.1Very high13 Ų1343.6 Ų43.611%0.10721%0.205CC..Hα-helixtrans-60.8-38.4-179.400000111.4K129 I130 E136 V137 I164K129-A133 PolarHBondContact O-N 2.93Å; I130-A133 PolarHBondContact O-N 2.96Å; A133-E136 PolarHBondContact O-N 2.87Å; A133-V137 WeakPolarHBondContact O-CG2 3.47Å; A133-V137 PolarHBondContact O-N 2.79Å; A133-V137 VanDerWaalsContact O-N 3.09Å; A133-I164 HydrophobicContact CB-CD1 3.79Å; A133-I164 HydrophobicContact CB-CG1 3.63Å
134L98.7Very high97.3Very high0 Ų044.8 Ų44.80%021%0.207CC..Hα-helixtrans-65.8-45.9177.7179.860.1000111.1I130 M131 R132 E136 V137 I138 L151 I156 I164 T216 I219I130-L134 WeakPolarHBondContact O-CB 3.47Å; I130-L134 PolarHBondContact O-N 3.44Å; M131-L134 HydrophobicContact CE-CD2 4.18Å; M131-L134 PolarHBondContact O-N 2.91Å; M131-L134 HydrophobicContact SD-CD2 4.35Å; R132-L134 VanDerWaalsContact C-N 3.26Å; R132-L134 PolarHBondContact O-N 3.48Å; L134-E136 VanDerWaalsContact C-N 3.33Å; L134-E136 PolarHBondContact O-N 2.78Å; L134-V137 WeakPolarHBondContact O-CB 3.2Å; L134-V137 PolarHBondContact O-N 2.77Å; L134-I138 HydrophobicContact CD1-CD1 4.13Å; L134-I138 HydrophobicContact CD1-CG1 4.4Å; L134-I138 HydrophobicContact CG-CD1 3.88Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.23Å; L134-L151 HydrophobicContact CD1-CD2 4.49Å; L134-I156 HydrophobicContact CD1-CD1 4.12Å; L134-I156 HydrophobicContact CD2-CD1 3.97Å; L134-I164 HydrophobicContact CB-CD1 3.76Å; L134-T216 HydrophobicContact CD2-CG2 4.32Å; L134-I219 HydrophobicContact CD2-CD1 4.1Å; L134-I219 HydrophobicContact CD2-CG2 4.42Å
135L98.7Very high97.5Very high0 Ų045.9 Ų45.90%021%0.214CC..Hα-helixtrans-65.9-34.7177.7-71.4167.4000112.5M131 R132 I138 C139 M213 T216 F268 A279 A282 L283 F288M131-L135 WeakPolarHBondContact O-CB 3.48Å; M131-L135 WeakPolarHBondContact O-CD1 3.34Å; M131-L135 WeakPolarHBondContact O-CG 3.48Å; M131-L135 PolarHBondContact O-N 3.15Å; R132-L135 PolarHBondContact O-N 2.8Å; L135-I138 PolarHBondContact O-N 2.81Å; L135-C139 WeakPolarHBondContact O-CB 3.41Å; L135-C139 PolarHBondContact O-N 2.79Å; L135-M213 HydrophobicContact CD2-CE 3.69Å; L135-T216 HydrophobicContact CD2-CG2 3.91Å; L135-T216 HydrophobicContact CG-CG2 4.5Å; L135-F268 HydrophobicContact CD1-CZ 4.2Å; L135-F268 HydrophobicContact CD2-CE1 4.1Å; L135-F268 HydrophobicContact CD2-CZ 3.96Å; L135-A279 HydrophobicContact CD2-CB 4.37Å; L135-A282 HydrophobicContact CD1-CB 3.9Å; L135-A282 HydrophobicContact CD2-CB 3.92Å; L135-L283 HydrophobicContact CB-CD1 4.21Å; L135-L283 HydrophobicContact CB-CD2 3.76Å; L135-L283 HydrophobicContact CB-CG 3.76Å; L135-L283 HydrophobicContact CD1-CD2 4.3Å; L135-L283 HydrophobicContact CD1-CG 4.39Å; L135-F288 HydrophobicContact CD1-CD2 4.43Å; L135-F288 HydrophobicContact CD1-CE1 4.44Å; L135-F288 HydrophobicContact CD1-CE2 3.39Å; L135-F288 HydrophobicContact CD1-CZ 3.4Å; L135-F288 VanDerWaalsContact CD1-CZ 3.4Å
136E98.3Very high97.7Very high76 Ų7639 Ų3936%0.35518%0.184SC..Hα-helixtrans-62.1-43.1172.9-75.1167.3-178.900111.1R132 A133 L134 C139 A140 L283R132-E136 WeakPolarHBondContact CD-OE1 3.44Å; R132-E136 HydrophobicContact CG-CG 4.44Å; R132-E136 VanDerWaalsContact CG-OE1 3.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.46Å; R132-E136 WeakPolarHBondContact O-CG 3.47Å; R132-E136 PolarHBondContact O-N 3.1Å; A133-E136 PolarHBondContact O-N 2.87Å; L134-E136 VanDerWaalsContact C-N 3.33Å; L134-E136 PolarHBondContact O-N 2.78Å; E136-C139 PolarHBondContact O-N 2.79Å; E136-A140 PolarHBondContact O-N 3Å; E136-L283 HydrophobicContact CG-CD1 4.12Å; E136-L283 HydrophobicContact CG-CD2 4.14Å
137V98.4Very high97.9Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-59.9-51.9172.21720000111.1N86 I87 A133 L134 C139 A140 L141 L166N86-V137 HydrophobicContact CB-CG2 3.37Å; N86-V137 WeakPolarHBondContact O-CG2 3.12Å; I87-V137 HydrophobicContact CD1-CG1 3.89Å; I87-V137 HydrophobicContact CG1-CB 4.47Å; I87-V137 HydrophobicContact CG1-CG1 3.65Å; I87-V137 HydrophobicContact CG1-CG2 4.03Å; A133-V137 WeakPolarHBondContact O-CG2 3.47Å; A133-V137 PolarHBondContact O-N 2.79Å; A133-V137 VanDerWaalsContact O-N 3.09Å; L134-V137 WeakPolarHBondContact O-CB 3.2Å; L134-V137 PolarHBondContact O-N 2.77Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.06Å; V137-A140 WeakPolarHBondContact O-CB 3.46Å; V137-A140 PolarHBondContact O-N 3.32Å; V137-L141 HydrophobicContact CG1-CD1 4.12Å; V137-L141 HydrophobicContact CG1-CG 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 3.49Å; V137-L166 HydrophobicContact CG1-CB 4.1Å; V137-L166 HydrophobicContact CG1-CD2 3.47Å; V137-L166 VanDerWaalsContact CG1-CD2 3.47Å; V137-L166 HydrophobicContact CG1-CG 4.44Å
138I98.6Very high98Very high0 Ų035.4 Ų35.40%017%0.168CC..Hα-helixtrans-61.3-41.8-177.7-65.9166000110.6L134 L135 A140 L141 H142 L151 D212 M213 T216 A279L134-I138 HydrophobicContact CD1-CD1 4.13Å; L134-I138 HydrophobicContact CD1-CG1 4.4Å; L134-I138 HydrophobicContact CG-CD1 3.88Å; L134-I138 VanDerWaalsContact O-CG1 3.29Å; L134-I138 WeakPolarHBondContact O-CG1 3.36Å; L134-I138 PolarHBondContact O-N 3.23Å; L135-I138 PolarHBondContact O-N 2.81Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.32Å; I138-L141 PolarHBondContact O-N 2.76Å; I138-H142 WeakPolarHBondContact CG2-CE1 3.23Å; I138-H142 WeakPolarHBondContact CG2-NE2 3.35Å; I138-H142 VanDerWaalsContact O-CB 3.28Å; I138-H142 WeakPolarHBondContact O-CB 3.31Å; I138-H142 PolarHBondContact O-CD2 3.36Å; I138-H142 VanDerWaalsContact O-CG 3.26Å; I138-H142 PolarHBondContact O-N 3.18Å; I138-L151 HydrophobicContact CD1-CD1 3.69Å; I138-L151 HydrophobicContact CG1-CD1 4.09Å; I138-D212 HydrophobicContact CG2-CB 4.43Å; I138-M213 HydrophobicContact CG2-SD 3.76Å; I138-T216 HydrophobicContact CD1-CG2 4.3Å; I138-T216 WeakPolarHBondContact CD1-OG1 3.43Å; I138-A279 HydrophobicContact CB-CB 4.3Å; I138-A279 HydrophobicContact CG2-CB 4Å
139C98.3Very high98Very high14 Ų1433.3 Ų33.310%0.09516%0.159CC..Hα-helixtrans-57.2-44.4174.3-177.70000111.5L135 E136 V137 K143 A279 E280 L283L135-C139 WeakPolarHBondContact O-CB 3.41Å; L135-C139 PolarHBondContact O-N 2.79Å; E136-C139 PolarHBondContact O-N 2.79Å; V137-C139 VanDerWaalsContact C-N 3.3Å; V137-C139 PolarHBondContact O-N 3.06Å; C139-K143 WeakPolarHBondContact O-CB 3.3Å; C139-K143 VanDerWaalsContact O-CG 3.3Å; C139-K143 WeakPolarHBondContact O-CG 3.11Å; C139-K143 PolarHBondContact O-N 2.99Å; C139-K143 PolarHBondContact SG-NZ 2.8Å; C139-A279 HydrophobicContact CB-CB 3.89Å; C139-E280 VanDerWaalsContact SG-CG 3.54Å; C139-L283 HydrophobicContact CB-CD1 4.45Å
140A98.3Very high98Very high29 Ų2926.5 Ų26.524%0.2413%0.13CC..Hα-helixtrans-64.5-44.8176.800000112.4E136 V137 I138 K143 L144E136-A140 PolarHBondContact O-N 3Å; V137-A140 WeakPolarHBondContact O-CB 3.46Å; V137-A140 PolarHBondContact O-N 3.32Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.32Å; A140-K143 PolarHBondContact O-N 3.11Å; A140-L144 PolarHBondContact O-N 3.27Å
141L98.3Very high98.1Very high1 Ų125.8 Ų25.81%0.00513%0.126CC..Hα-helixtrans-60.3-49.8176-64.5-178.3000111.3V81 I87 V137 I138 K143 L144 N145 I146 H148 L166 F169V81-L141 HydrophobicContact CB-CD2 4.31Å; V81-L141 HydrophobicContact CG1-CD2 3.51Å; I87-L141 HydrophobicContact CD1-CD2 4.11Å; V137-L141 HydrophobicContact CG1-CD1 4.12Å; V137-L141 HydrophobicContact CG1-CG 4.27Å; V137-L141 WeakPolarHBondContact O-CG 3.26Å; V137-L141 PolarHBondContact O-N 3.49Å; I138-L141 PolarHBondContact O-N 2.76Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 2.85Å; L141-L144 CarbonylContact O-C 3.52Å; L141-L144 WeakPolarHBondContact O-CA 3.27Å; L141-L144 WeakPolarHBondContact O-CB 3.46Å; L141-L144 PolarHBondContact O-N 3.21Å; L141-N145 PolarHBondContact O-N 2.88Å; L141-I146 CarbonylContact C-O 3.43Å; L141-I146 HydrophobicContact CB-CB 4.26Å; L141-I146 HydrophobicContact CB-CG2 4.42Å; L141-I146 HydrophobicContact CD2-CB 4.47Å; L141-I146 HydrophobicContact CD2-CG2 4.19Å; L141-I146 PolarHBondContact O-N 3.28Å; L141-H148 HydrophobicContact CD1-CB 4.44Å; L141-L166 HydrophobicContact CD1-CD2 4.03Å; L141-F169 HydrophobicContact CD1-CE1 3.96Å; L141-F169 HydrophobicContact CD1-CZ 4.48Å; L141-F169 HydrophobicContact CD2-CE1 3.84Å; L141-F169 HydrophobicContact CD2-CZ 4.44Å
142H97.9Very high98Very high24 Ų2427.2 Ų27.211%0.11113%0.133CC..Hα-helixtrans-64.7-31.4-177-73.3-170000112.1I138 L144 N145 I146 K209 D212I138-H142 WeakPolarHBondContact CG2-CE1 3.23Å; I138-H142 WeakPolarHBondContact CG2-NE2 3.35Å; I138-H142 VanDerWaalsContact O-CB 3.28Å; I138-H142 WeakPolarHBondContact O-CB 3.31Å; I138-H142 PolarHBondContact O-CD2 3.36Å; I138-H142 VanDerWaalsContact O-CG 3.26Å; I138-H142 PolarHBondContact O-N 3.18Å; H142-L144 VanDerWaalsContact C-N 3.3Å; H142-L144 PolarHBondContact O-N 2.88Å; H142-N145 PolarHBondContact O-N 3.09Å; H142-N145 VanDerWaalsContact O-N 3.1Å; H142-I146 PolarHBondContact CD2-O 3.25Å; H142-I146 VanDerWaalsContact CD2-O 3.31Å; H142-K209 HydrophobicContact CB-CD 3.97Å; H142-K209 PolarHBondContact CE1-O 2.9Å; H142-K209 PolarHBondContact NE2-O 3.38Å; H142-K209 WeakPolarHBondContact O-CE 3.32Å; H142-K209 PolarHBondContact O-NZ 2.81Å; H142-D212 IonicContact CD2-OD2 3.85Å; H142-D212 IonicContact CE1-OD2 3.45Å; H142-D212 IonicContact NE2-OD2 3.48Å; H142-D212 PolarHBondContact NE2-OD2 2.91Å
143K96.9Very high98Very high135 Ų13523 Ų2359%0.58712%0.117SC*.Hα-helixtrans-65.1-31.2171.8-81.2171.8175.6161.70113.4C139 A140 L141 N145 E280C139-K143 WeakPolarHBondContact O-CB 3.3Å; C139-K143 VanDerWaalsContact O-CG 3.3Å; C139-K143 WeakPolarHBondContact O-CG 3.11Å; C139-K143 PolarHBondContact O-N 2.99Å; C139-K143 PolarHBondContact SG-NZ 2.8Å; A140-K143 PolarHBondContact O-N 3.11Å; L141-K143 VanDerWaalsContact C-N 3.27Å; L141-K143 PolarHBondContact O-N 2.85Å; K143-N145 PolarHBondContact O-N 3.45Å; K143-E280 WeakPolarHBondContact CE-OE1 3.4Å; K143-E280 IonicContact NZ-OE1 2.81Å; K143-E280 PolarHBondContact NZ-OE1 2.87Å
144L97.1Very high97.8Very high78 Ų7824.9 Ų24.941%0.40812%0.123SC..THydrogen-bonded Turntrans-86.17173.8-63.4174.9000112.9V81 A140 L141 H142 I146 Q174V81-L144 HydrophobicContact CG1-CD1 4.22Å; A140-L144 PolarHBondContact O-N 3.27Å; L141-L144 CarbonylContact O-C 3.52Å; L141-L144 WeakPolarHBondContact O-CA 3.27Å; L141-L144 WeakPolarHBondContact O-CB 3.46Å; L141-L144 PolarHBondContact O-N 3.21Å; H142-L144 VanDerWaalsContact C-N 3.3Å; H142-L144 PolarHBondContact O-N 2.88Å; L144-I146 HydrophobicContact CB-CD1 3.9Å; L144-I146 HydrophobicContact CB-CG1 4.22Å; L144-I146 HydrophobicContact CD1-CD1 4.25Å; L144-I146 PolarHBondContact O-N 3.23Å; L144-Q174 PolarHBondContact O-NE2 2.82Å
145N97.6Very high97.7Very high60 Ų6025.3 Ų25.332%0.32113%0.126SC..THydrogen-bonded Turntrans59.624.3-171.1-56.2-52.4000114.5L141 H142 K143 Q174 L175 K209L141-N145 PolarHBondContact O-N 2.88Å; H142-N145 PolarHBondContact O-N 3.09Å; H142-N145 VanDerWaalsContact O-N 3.1Å; K143-N145 PolarHBondContact O-N 3.45Å; N145-Q174 HydrophobicContact CB-CG 4.5Å; N145-Q174 CarbonylContact O-C 3.55Å; N145-Q174 WeakPolarHBondContact O-CA 3.11Å; N145-L175 WeakPolarHBondContact CB-O 3.18Å; N145-L175 PolarHBondContact O-N 3.36Å; N145-K209 PolarHBondContact OD1-NZ 2.85Å
146I98.3Very high97.7Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-90.1134.8175.3-65.7161.9000109.5I77 V81 L141 H142 L144 C173 Q174I77-I146 HydrophobicContact CG2-CD1 4.12Å; I77-I146 HydrophobicContact CG2-CG2 4.04Å; V81-I146 HydrophobicContact CG1-CD1 3.84Å; L141-I146 CarbonylContact C-O 3.43Å; L141-I146 HydrophobicContact CB-CB 4.26Å; L141-I146 HydrophobicContact CB-CG2 4.42Å; L141-I146 HydrophobicContact CD2-CB 4.47Å; L141-I146 HydrophobicContact CD2-CG2 4.19Å; L141-I146 PolarHBondContact O-N 3.28Å; H142-I146 PolarHBondContact CD2-O 3.25Å; H142-I146 VanDerWaalsContact CD2-O 3.31Å; L144-I146 HydrophobicContact CB-CD1 3.9Å; L144-I146 HydrophobicContact CB-CG1 4.22Å; L144-I146 HydrophobicContact CD1-CD1 4.25Å; L144-I146 PolarHBondContact O-N 3.23Å; I146-C173 CarbonylContact C-O 3.56Å; I146-C173 WeakPolarHBondContact CA-O 3.45Å; I146-Q174 HydrophobicContact CG1-CB 4.17Å; I146-Q174 HydrophobicContact CG1-CG 4.21Å
147V97.9Very high97.7Very high0 Ų023.2 Ų23.20%012%0.117CC..EExtended strand (participates in β ladder)trans-113.1134.5171-166.40000108.7R149 S172 C173 L175 K209 V211 D212V147-R149 HydrophobicContact CB-CG 4.13Å; V147-R149 HydrophobicContact CG1-CG 3.67Å; V147-S172 WeakPolarHBondContact O-CA 3.37Å; V147-S172 WeakPolarHBondContact O-CB 3.18Å; V147-C173 PolarHBondContact N-O 3.22Å; V147-C173 PolarHBondContact O-N 3.11Å; V147-C173 VanDerWaalsContact O-N 3.12Å; V147-L175 HydrophobicContact CG2-CD1 3.46Å; V147-L175 VanDerWaalsContact CG2-CD1 3.46Å; V147-L175 HydrophobicContact CG2-CG 3.89Å; V147-K209 HydrophobicContact CG2-CB 4.36Å; V147-K209 HydrophobicContact CG2-CG 3.7Å; V147-V211 HydrophobicContact CG1-CG2 3.8Å; V147-D212 WeakPolarHBondContact CG1-OD2 3.49Å
148H98.3Very high97.6Very high0 Ų023.3 Ų23.30%012%0.117CC..  trans-80.3-43.7-176.6-171.3-82.3000113.1L141 D150 L151 T167 D168 F169 F171 S172 D212L141-H148 HydrophobicContact CD1-CB 4.44Å; H148-D150 PolarHBondContact CE1-O 3.25Å; H148-D150 VanDerWaalsContact ND1-C 3.32Å; H148-D150 PolarHBondContact ND1-N 2.96Å; H148-D150 PolarHBondContact ND1-O 3.28Å; H148-D150 PolarHBondContact O-N 3.34Å; H148-L151 HydrophobicContact CB-CD2 3.95Å; H148-L151 HydrophobicContact CB-CG 3.99Å; H148-L151 PolarHBondContact ND1-N 3.36Å; H148-T167 PolarHBondContact NE2-O 3.34Å; H148-D168 PolarHBondContact CE1-O 2.99Å; H148-D168 PolarHBondContact NE2-O 3.44Å; H148-F169 AromaticContact CD2-CE1 3.94Å; H148-F171 CarbonylContact O-C 3.46Å; H148-S172 WeakPolarHBondContact CA-OG 3.47Å; H148-S172 PolarHBondContact O-OG 3.4Å; H148-D212 PolarHBondContact N-OD1 3.07Å; H148-D212 PolarHBondContact N-OD2 3.24Å
149R97.4Very high97.3Very high20 Ų2024.7 Ų24.78%0.07512%0.124CC..SBendtrans67.4-14.2176.6-54.6-167.1-69.41652.3117.8V147 F171 E183 C185 Y207 D212V147-R149 HydrophobicContact CB-CG 4.13Å; V147-R149 HydrophobicContact CG1-CG 3.67Å; R149-F171 HydrophobicContact CB-CB 4.34Å; R149-F171 PolarHBondContact NE-O 3.18Å; R149-F171 PolarHBondContact NH2-O 2.75Å; R149-E183 IonicContact CZ-OE2 2.64Å; R149-E183 IonicContact NH1-OE2 2.75Å; R149-E183 PolarHBondContact NH1-OE2 2.84Å; R149-E183 IonicContact NH2-OE2 3.46Å; R149-E183 PolarHBondContact NH2-OE2 3.02Å; R149-C185 VanDerWaalsContact CZ-SG 3.53Å; R149-C185 PolarHBondContact NH1-SG 3.2Å; R149-Y207 PolarHBondContact NH1-OH 3.34Å; R149-D212 PolarHBondContact N-OD1 3.32Å
150D97.1Very high97Very high4 Ų428.3 Ų28.32%0.02114%0.143CC..  trans-131.651.7172.7-163.639.3000112.6H148 K152 N155 F171 G186 T187H148-D150 PolarHBondContact CE1-O 3.25Å; H148-D150 VanDerWaalsContact ND1-C 3.32Å; H148-D150 PolarHBondContact ND1-N 2.96Å; H148-D150 PolarHBondContact ND1-O 3.28Å; H148-D150 PolarHBondContact O-N 3.34Å; D150-K152 PolarHBondContact O-N 3.35Å; D150-K152 IonicContact OD1-NZ 3.33Å; D150-K152 WeakPolarHBondContact OD2-CE 3.32Å; D150-K152 IonicContact OD2-NZ 3.3Å; D150-K152 PolarHBondContact OD2-NZ 3.27Å; D150-N155 PolarHBondContact O-ND2 3.15Å; D150-N155 PolarHBondContact OD2-ND2 2.94Å; D150-F171 HydrophobicContact CB-CB 4.32Å; D150-F171 HydrophobicContact CB-CD2 3.67Å; D150-F171 HydrophobicContact CB-CE2 4.46Å; D150-F171 HydrophobicContact CB-CG 4.35Å; D150-G186 VanDerWaalsContact OD1-CA 3.3Å; D150-G186 WeakPolarHBondContact OD1-CA 3.19Å; D150-T187 WeakPolarHBondContact OD1-CB 3.34Å; D150-T187 PolarHBondContact OD1-N 3.44Å; D150-T187 PolarHBondContact OD1-OG1 3.48Å
151L98.5Very high96.7Very high0 Ų033 Ų330%016%0.164CC..  trans-74.1122.1174.1-68.7177.8000110.6L134 I138 H148 L166 D212 I219L134-L151 HydrophobicContact CD1-CD2 4.49Å; I138-L151 HydrophobicContact CD1-CD1 3.69Å; I138-L151 HydrophobicContact CG1-CD1 4.09Å; H148-L151 HydrophobicContact CB-CD2 3.95Å; H148-L151 HydrophobicContact CB-CG 3.99Å; H148-L151 PolarHBondContact ND1-N 3.36Å; L151-L166 HydrophobicContact CD2-CD1 3.54Å; L151-L166 HydrophobicContact CD2-CD2 3.98Å; L151-L166 HydrophobicContact CD2-CG 4.43Å; L151-D212 HydrophobicContact CD1-CB 3.64Å; L151-D212 WeakPolarHBondContact CD1-O 3.49Å; L151-I219 HydrophobicContact CB-CD1 4.02Å
152K97.3Very high96.3Very high30 Ų3036 Ų3613%0.1318%0.179CC..  trans-159.9160.8176.961-175.5166.1-164.90110.3D150 E154 N155 T187 Y190D150-K152 PolarHBondContact O-N 3.35Å; D150-K152 IonicContact OD1-NZ 3.33Å; D150-K152 WeakPolarHBondContact OD2-CE 3.32Å; D150-K152 IonicContact OD2-NZ 3.3Å; D150-K152 PolarHBondContact OD2-NZ 3.27Å; K152-E154 VanDerWaalsContact CB-OE2 3.27Å; K152-E154 WeakPolarHBondContact CB-OE2 3.07Å; K152-E154 HydrophobicContact CD-CB 4.14Å; K152-E154 HydrophobicContact CD-CG 4.5Å; K152-E154 WeakPolarHBondContact CD-OE2 3.06Å; K152-E154 HydrophobicContact CG-CB 4.11Å; K152-E154 VanDerWaalsContact CG-OE2 3.3Å; K152-E154 WeakPolarHBondContact CG-OE2 3.34Å; K152-E154 PolarHBondContact O-N 2.95Å; K152-N155 VanDerWaalsContact CE-CG 3.45Å; K152-N155 WeakPolarHBondContact CE-ND2 3.48Å; K152-N155 WeakPolarHBondContact CE-OD1 3.23Å; K152-N155 HydrophobicContact CG-CB 4.11Å; K152-N155 PolarHBondContact O-N 3.49Å; K152-T187 HydrophobicContact CD-CG2 4.45Å; K152-T187 WeakPolarHBondContact CD-OG1 3.47Å; K152-T187 PolarHBondContact NZ-OG1 2.93Å; K152-Y190 HydrophobicContact CB-CD1 4.21Å; K152-Y190 HydrophobicContact CB-CD2 3.82Å; K152-Y190 HydrophobicContact CB-CE1 4.13Å; K152-Y190 HydrophobicContact CB-CE2 3.68Å; K152-Y190 HydrophobicContact CB-CG 4.09Å
153P96.9Very high96.2Very high0 Ų038.7 Ų38.70%019%0.194CC..G310 helixtrans-57.2-29.2-180-25.536.8000114.6L112 F113 N155 I156 Y190 I219L112-P153 HydrophobicContact CB-CB 4.46Å; L112-P153 WeakPolarHBondContact CB-O 3.46Å; L112-P153 HydrophobicContact CG-CB 4.41Å; L112-P153 PolarHBondContact N-O 3.37Å; F113-P153 HydrophobicContact CB-CB 3.96Å; F113-P153 HydrophobicContact CD2-CB 4.4Å; F113-P153 PolarHBondContact N-O 2.92Å; P153-N155 VanDerWaalsContact C-N 3.27Å; P153-N155 PolarHBondContact O-N 3.34Å; P153-I156 PolarHBondContact O-N 2.67Å; P153-Y190 VanDerWaalsContact CD-CZ 3.5Å; P153-Y190 WeakPolarHBondContact CD-OH 3.37Å; P153-I219 HydrophobicContact CG-CG1 4.36Å
154E95Very high96.2Very high51 Ų5132.4 Ų32.424%0.23817%0.167CC..G310 helixtrans-64.6-32.4176-58.390.7142.100111.6E111 F113 K152 I156E111-E154 WeakPolarHBondContact OE2-CA 3.32Å; F113-E154 HydrophobicContact CB-CG 3.92Å; F113-E154 HydrophobicContact CD2-CG 4.28Å; F113-E154 HydrophobicContact CG-CG 4.01Å; K152-E154 VanDerWaalsContact CB-OE2 3.27Å; K152-E154 WeakPolarHBondContact CB-OE2 3.07Å; K152-E154 HydrophobicContact CD-CB 4.14Å; K152-E154 HydrophobicContact CD-CG 4.5Å; K152-E154 WeakPolarHBondContact CD-OE2 3.06Å; K152-E154 HydrophobicContact CG-CB 4.11Å; K152-E154 VanDerWaalsContact CG-OE2 3.3Å; K152-E154 WeakPolarHBondContact CG-OE2 3.34Å; K152-E154 PolarHBondContact O-N 2.95Å; E154-I156 VanDerWaalsContact C-N 3.29Å; E154-I156 PolarHBondContact O-N 3.27Å
155N96.9Very high96.2Very high10 Ų1030.2 Ų30.25%0.05315%0.154CC..G310 helixtrans-90.811.9179.1-70.5-3.8000112.8D150 K152 P153 T167D150-N155 PolarHBondContact O-ND2 3.15Å; D150-N155 PolarHBondContact OD2-ND2 2.94Å; K152-N155 VanDerWaalsContact CE-CG 3.45Å; K152-N155 WeakPolarHBondContact CE-ND2 3.48Å; K152-N155 WeakPolarHBondContact CE-OD1 3.23Å; K152-N155 HydrophobicContact CG-CB 4.11Å; K152-N155 PolarHBondContact O-N 3.49Å; P153-N155 VanDerWaalsContact C-N 3.27Å; P153-N155 PolarHBondContact O-N 3.34Å; N155-T167 WeakPolarHBondContact O-CG2 3.34Å; N155-T167 PolarHBondContact O-N 2.83Å
156I98.3Very high96.3Very high0 Ų027.4 Ų27.40%014%0.139CC..EExtended strand (participates in β ladder)trans-119.3110.3176.3-60.2170.6000107.9L112 L134 P153 E154 I164 L166 I219L112-I156 HydrophobicContact CB-CB 4.02Å; L112-I156 HydrophobicContact CB-CG2 4.11Å; L112-I156 VanDerWaalsContact CB-O 3.23Å; L112-I156 WeakPolarHBondContact CB-O 3.48Å; L112-I156 HydrophobicContact CD2-CB 4.07Å; L112-I156 HydrophobicContact CD2-CD1 4.1Å; L112-I156 HydrophobicContact CD2-CG2 3.87Å; L112-I156 PolarHBondContact N-O 3.36Å; L134-I156 HydrophobicContact CD1-CD1 4.12Å; L134-I156 HydrophobicContact CD2-CD1 3.97Å; P153-I156 PolarHBondContact O-N 2.67Å; E154-I156 VanDerWaalsContact C-N 3.29Å; E154-I156 PolarHBondContact O-N 3.27Å; I156-I164 HydrophobicContact CG2-CB 3.62Å; I156-I164 HydrophobicContact CG2-CD1 4.19Å; I156-I164 HydrophobicContact CG2-CG2 3.73Å; I156-L166 HydrophobicContact CG1-CD1 4.17Å; I156-I219 HydrophobicContact CD1-CD1 4.11Å
157L97.6Very high96.2Very high32 Ų3228.7 Ų28.717%0.16815%0.147CC..EExtended strand (participates in β ladder)trans-93.7158.1-179.4-57.3178.3000111.7M107 G110 E111 I164 K165 T167M107-L157 HydrophobicContact CB-CB 3.74Å; M107-L157 HydrophobicContact CB-CD1 3.94Å; M107-L157 HydrophobicContact CB-CG 4.38Å; M107-L157 HydrophobicContact CG-CB 3.63Å; M107-L157 HydrophobicContact CG-CD1 3.69Å; M107-L157 HydrophobicContact CG-CG 4.31Å; G110-L157 CarbonylContact O-C 3.5Å; G110-L157 VanDerWaalsContact O-CA 3.31Å; G110-L157 WeakPolarHBondContact O-CA 3.15Å; E111-L157 HydrophobicContact CB-CD2 4.47Å; E111-L157 HydrophobicContact CG-CD2 3.81Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 VanDerWaalsContact O-CA 3.27Å; L157-I164 WeakPolarHBondContact O-CA 3.4Å; L157-K165 HydrophobicContact CB-CB 4.49Å; L157-K165 PolarHBondContact N-O 3.47Å; L157-K165 PolarHBondContact O-N 3.13Å; L157-T167 HydrophobicContact CD1-CG2 3.88Å; L157-T167 HydrophobicContact CD2-CG2 4.36Å; L157-T167 HydrophobicContact CG-CG2 3.75Å
158L96.7Very high96Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-113.8131.3178.9-66.5169.3000111.4R109 G110 L112 Y115 M162 I164R109-L158 HydrophobicContact CB-CB 3.69Å; R109-L158 WeakPolarHBondContact CB-O 3.49Å; R109-L158 PolarHBondContact N-O 2.9Å; G110-L158 PolarHBondContact O-N 3.38Å; L112-L158 HydrophobicContact CD1-CD1 4.33Å; Y115-L158 HydrophobicContact CD1-CD1 4.08Å; Y115-L158 HydrophobicContact CD2-CD1 4.35Å; Y115-L158 HydrophobicContact CG-CD1 3.73Å; L158-M162 HydrophobicContact CD1-CE 3.95Å; L158-I164 HydrophobicContact CD2-CG2 3.91Å
159D93.8Very high95.9Very high29 Ų2930.9 Ų30.916%0.15516%0.159CC..  trans-82.7176.6171.276.99000112.3M107 R109 N161 M162 N163M107-D159 HydrophobicContact SD-CB 4.08Å; R109-D159 WeakPolarHBondContact CD-O 3.44Å; R109-D159 WeakPolarHBondContact CG-O 3.41Å; R109-D159 PolarHBondContact NE-O 2.84Å; D159-N161 PolarHBondContact O-N 2.87Å; D159-N161 VanDerWaalsContact O-N 3.07Å; D159-N161 VanDerWaalsContact OD1-C 3.27Å; D159-N161 VanDerWaalsContact OD1-CA 3.3Å; D159-N161 WeakPolarHBondContact OD1-CA 3.27Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.74Å; D159-M162 PolarHBondContact O-N 2.78Å; D159-M162 PolarHBondContact OD1-N 3.05Å; D159-N163 PolarHBondContact N-O 3.14Å; D159-N163 PolarHBondContact OD1-N 2.81Å; D159-N163 PolarHBondContact OD1-ND2 3.42Å; D159-N163 WeakPolarHBondContact OD2-CB 3.43Å; D159-N163 PolarHBondContact OD2-ND2 3.28Å
160D90.4Very high95.7Very high90 Ų9031.3 Ų31.348%0.48117%0.169SC..THydrogen-bonded Turntrans-58.1-25.1-179.1-70.8-34.9000113.5R109R109-D160 PolarHBondContact NE-O 2.9Å; R109-D160 PolarHBondContact NH2-O 3.28Å
161N91.6Very high95.5Very high127 Ų12735 Ų3568%0.67919%0.185SC*.THydrogen-bonded Turntrans-96.47.7-177.6-64.770.5000113.1D159 N163D159-N161 PolarHBondContact O-N 2.87Å; D159-N161 VanDerWaalsContact O-N 3.07Å; D159-N161 VanDerWaalsContact OD1-C 3.27Å; D159-N161 VanDerWaalsContact OD1-CA 3.3Å; D159-N161 WeakPolarHBondContact OD1-CA 3.27Å; D159-N161 WeakPolarHBondContact OD1-CB 3.49Å; D159-N161 PolarHBondContact OD1-N 2.74Å; N161-N163 WeakPolarHBondContact CB-ND2 3.37Å; N161-N163 PolarHBondContact O-N 2.79Å
162M90.7Very high95.5Very high65 Ų6535.3 Ų35.332%0.3219%0.187SC..SBendtrans6422.8-175.6-57.4-66.3-5900113.9R109 Y115 L158 D159R109-M162 WeakPolarHBondContact CD-SD 3.3Å; Y115-M162 HydrophobicContact CD1-CE 4.1Å; Y115-M162 HydrophobicContact CD2-CE 3.77Å; Y115-M162 HydrophobicContact CE1-CE 3.71Å; Y115-M162 HydrophobicContact CE2-CE 3.35Å; Y115-M162 HydrophobicContact CE2-SD 4.49Å; Y115-M162 HydrophobicContact CG-CE 4.12Å; L158-M162 HydrophobicContact CD1-CE 3.95Å; D159-M162 PolarHBondContact O-N 2.78Å; D159-M162 PolarHBondContact OD1-N 3.05Å
163N94.9Very high95.4Very high80 Ų8035 Ų3543%0.42819%0.189SC..  trans-84.1146.9167.9-47.9-62.5000109.6D159 N161D159-N163 PolarHBondContact N-O 3.14Å; D159-N163 PolarHBondContact OD1-N 2.81Å; D159-N163 PolarHBondContact OD1-ND2 3.42Å; D159-N163 WeakPolarHBondContact OD2-CB 3.43Å; D159-N163 PolarHBondContact OD2-ND2 3.28Å; N161-N163 WeakPolarHBondContact CB-ND2 3.37Å; N161-N163 PolarHBondContact O-N 2.79Å
164I97.9Very high95.4Very high3 Ų338.8 Ų38.82%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-82.3150.2178.668.3164000112.3N86 I130 A133 L134 I156 L157 L158N86-I164 WeakPolarHBondContact CA-O 3.49Å; N86-I164 PolarHBondContact ND2-O 3.33Å; I130-I164 HydrophobicContact CB-CG2 4.4Å; I130-I164 HydrophobicContact CG1-CG2 4.06Å; I130-I164 HydrophobicContact CG2-CG2 4.06Å; I130-I164 WeakPolarHBondContact O-CD1 3.44Å; A133-I164 HydrophobicContact CB-CD1 3.79Å; A133-I164 HydrophobicContact CB-CG1 3.63Å; L134-I164 HydrophobicContact CB-CD1 3.76Å; I156-I164 HydrophobicContact CG2-CB 3.62Å; I156-I164 HydrophobicContact CG2-CD1 4.19Å; I156-I164 HydrophobicContact CG2-CG2 3.73Å; L157-I164 CarbonylContact O-C 3.59Å; L157-I164 VanDerWaalsContact O-CA 3.27Å; L157-I164 WeakPolarHBondContact O-CA 3.4Å; L158-I164 HydrophobicContact CD2-CG2 3.91Å
165K98.1Very high95.4Very high33 Ų3336.9 Ų36.914%0.14320%0.198CC..EExtended strand (participates in β ladder)trans-130.5114.1166.9-59.8-72.1-176.3164.80108.5P85 N86 M107 L157P85-K165 WeakPolarHBondContact O-CD 3.43Å; P85-K165 VanDerWaalsContact O-CE 3.28Å; P85-K165 WeakPolarHBondContact O-CE 3.24Å; P85-K165 PolarHBondContact O-NZ 3.36Å; N86-K165 CarbonylContact O-C 3.55Å; N86-K165 WeakPolarHBondContact O-CA 3.44Å; M107-K165 HydrophobicContact CE-CG 4Å; M107-K165 HydrophobicContact SD-CB 4.28Å; M107-K165 HydrophobicContact SD-CG 3.65Å; L157-K165 HydrophobicContact CB-CB 4.49Å; L157-K165 PolarHBondContact N-O 3.47Å; L157-K165 PolarHBondContact O-N 3.13Å
166L98.5Very high95.3Very high1 Ų142.7 Ų42.71%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-67.7134.5171.6-176.466000109.6N86 I88 V137 L141 L151 I156 F169N86-L166 PolarHBondContact O-N 3.45Å; I88-L166 WeakPolarHBondContact CB-O 3.4Å; I88-L166 WeakPolarHBondContact CG2-O 3.35Å; I88-L166 PolarHBondContact N-O 2.88Å; V137-L166 HydrophobicContact CG1-CB 4.1Å; V137-L166 HydrophobicContact CG1-CD2 3.47Å; V137-L166 VanDerWaalsContact CG1-CD2 3.47Å; V137-L166 HydrophobicContact CG1-CG 4.44Å; L141-L166 HydrophobicContact CD1-CD2 4.03Å; L151-L166 HydrophobicContact CD2-CD1 3.54Å; L151-L166 HydrophobicContact CD2-CD2 3.98Å; L151-L166 HydrophobicContact CD2-CG 4.43Å; I156-L166 HydrophobicContact CG1-CD1 4.17Å; L166-F169 HydrophobicContact CD2-CZ 4.05Å; L166-F169 HydrophobicContact CG-CE2 4.48Å; L166-F169 HydrophobicContact CG-CZ 4.31Å
167T96.4Very high94.8Very high26 Ų2648.2 Ų48.216%0.1626%0.261CS..  trans-131.9177.6179.5-168.20000111.2H148 N155 L157H148-T167 PolarHBondContact NE2-O 3.34Å; N155-T167 WeakPolarHBondContact O-CG2 3.34Å; N155-T167 PolarHBondContact O-N 2.83Å; L157-T167 HydrophobicContact CD1-CG2 3.88Å; L157-T167 HydrophobicContact CD2-CG2 4.36Å; L157-T167 HydrophobicContact CG-CG2 3.75Å
168D92.8Very high94.3Very high46 Ų4650 Ų5025%0.24629%0.286CS..  trans61.773.7173.8-156.420.7000115.3K49 H148 G170K49-D168 IonicContact NZ-OD1 2.72Å; K49-D168 PolarHBondContact NZ-OD1 2.8Å; H148-D168 PolarHBondContact CE1-O 2.99Å; H148-D168 PolarHBondContact NE2-O 3.44Å; D168-G170 PolarHBondContact O-N 2.76Å
169F96.3Very high94.1Very high1 Ų153.7 Ų53.70%0.00430%0.304CS..G310 helixtrans-86.116.1178.3-71.3-101.4000112.7E74 I77 L78 V81 I87 L141 H148 L166 F171 S172E74-F169 HydrophobicContact CG-CB 4.1Å; I77-F169 HydrophobicContact CG2-CB 4.36Å; I77-F169 HydrophobicContact CG2-CD1 3.58Å; I77-F169 HydrophobicContact CG2-CE1 4.25Å; I77-F169 HydrophobicContact CG2-CG 4.25Å; L78-F169 HydrophobicContact CD2-CD2 3.52Å; L78-F169 HydrophobicContact CD2-CE2 3.99Å; L78-F169 HydrophobicContact CD2-CG 4.16Å; L78-F169 HydrophobicContact CG-CB 4.37Å; L78-F169 HydrophobicContact CG-CD2 4.28Å; L78-F169 HydrophobicContact CG-CG 4.47Å; V81-F169 HydrophobicContact CG2-CZ 4.4Å; I87-F169 HydrophobicContact CD1-CZ 4.44Å; I87-F169 HydrophobicContact CG2-CE2 3.72Å; I87-F169 HydrophobicContact CG2-CZ 3.7Å; L141-F169 HydrophobicContact CD1-CE1 3.96Å; L141-F169 HydrophobicContact CD1-CZ 4.48Å; L141-F169 HydrophobicContact CD2-CE1 3.84Å; L141-F169 HydrophobicContact CD2-CZ 4.44Å; H148-F169 AromaticContact CD2-CE1 3.94Å; L166-F169 HydrophobicContact CD2-CZ 4.05Å; L166-F169 HydrophobicContact CG-CE2 4.48Å; L166-F169 HydrophobicContact CG-CZ 4.31Å; F169-F171 PolarHBondContact O-N 3.26Å; F169-S172 WeakPolarHBondContact CA-OG 3.45Å; F169-S172 VanDerWaalsContact CD1-OG 3.27Å; F169-S172 WeakPolarHBondContact CD1-OG 3.21Å; F169-S172 VanDerWaalsContact O-CB 3.27Å; F169-S172 WeakPolarHBondContact O-CB 3.46Å; F169-S172 PolarHBondContact O-N 3.1Å; F169-S172 PolarHBondContact O-OG 2.9Å
170G93.1Very high94.2Very high29 Ų2958.5 Ų58.530%0.29932%0.319SS..G310 helixtrans-61.9-28-175.900000114.2D168D168-G170 PolarHBondContact O-N 2.76Å
171F94.4Very high94.4Very high80 Ų8055.2 Ų55.235%0.35130%0.302SS..G310 helixtrans-96.6-2.6172-65.8-68.9000113.3H148 R149 D150 F169 C185H148-F171 CarbonylContact O-C 3.46Å; R149-F171 HydrophobicContact CB-CB 4.34Å; R149-F171 PolarHBondContact NE-O 3.18Å; R149-F171 PolarHBondContact NH2-O 2.75Å; D150-F171 HydrophobicContact CB-CB 4.32Å; D150-F171 HydrophobicContact CB-CD2 3.67Å; D150-F171 HydrophobicContact CB-CE2 4.46Å; D150-F171 HydrophobicContact CB-CG 4.35Å; F169-F171 PolarHBondContact O-N 3.26Å; F171-C185 HydrophobicContact CD1-CB 3.6Å; F171-C185 HydrophobicContact CE1-CB 3.92Å; F171-C185 HydrophobicContact CG-CB 4.38Å
172S97.1Very high94.5Very high7 Ų755.6 Ų55.65%0.04929%0.294CS..  trans-71147.9-177-59.90000111.5I77 V147 H148 F169I77-S172 VanDerWaalsContact CD1-C 3.49Å; I77-S172 VanDerWaalsContact CD1-O 3.32Å; I77-S172 WeakPolarHBondContact CD1-O 3.19Å; V147-S172 WeakPolarHBondContact O-CA 3.37Å; V147-S172 WeakPolarHBondContact O-CB 3.18Å; H148-S172 WeakPolarHBondContact CA-OG 3.47Å; H148-S172 PolarHBondContact O-OG 3.4Å; F169-S172 WeakPolarHBondContact CA-OG 3.45Å; F169-S172 VanDerWaalsContact CD1-OG 3.27Å; F169-S172 WeakPolarHBondContact CD1-OG 3.21Å; F169-S172 VanDerWaalsContact O-CB 3.27Å; F169-S172 WeakPolarHBondContact O-CB 3.46Å; F169-S172 PolarHBondContact O-N 3.1Å; F169-S172 PolarHBondContact O-OG 2.9Å
173C95.6Very high94.6Very high25 Ų2557.7 Ų57.717%0.16930%0.303CS..EExtended strand (participates in β ladder)trans-143.9155.4172.665.60000110.9I146 V147 L181I146-C173 CarbonylContact C-O 3.56Å; I146-C173 WeakPolarHBondContact CA-O 3.45Å; V147-C173 PolarHBondContact N-O 3.22Å; V147-C173 PolarHBondContact O-N 3.11Å; V147-C173 VanDerWaalsContact O-N 3.12Å; C173-L181 WeakPolarHBondContact SG-CD1 3.41Å
174Q96.8Very high94.5Very high78 Ų7857.5 Ų57.536%0.36431%0.305SS..EExtended strand (participates in β ladder)trans-97.7126.7172.5-171.4169.526.600108.8L144 N145 I146L144-Q174 PolarHBondContact O-NE2 2.82Å; N145-Q174 HydrophobicContact CB-CG 4.5Å; N145-Q174 CarbonylContact O-C 3.55Å; N145-Q174 WeakPolarHBondContact O-CA 3.11Å; I146-Q174 HydrophobicContact CG1-CB 4.17Å; I146-Q174 HydrophobicContact CG1-CG 4.21Å
175L95.5Very high94.2Very high11 Ų1157.8 Ų57.86%0.05831%0.307CS..PPolyproline II helixtrans-91.1136.3180-63.6179000111.5N145 V147 E179 L181 K209N145-L175 WeakPolarHBondContact CB-O 3.18Å; N145-L175 PolarHBondContact O-N 3.36Å; V147-L175 HydrophobicContact CG2-CD1 3.46Å; V147-L175 VanDerWaalsContact CG2-CD1 3.46Å; V147-L175 HydrophobicContact CG2-CG 3.89Å; L175-E179 WeakPolarHBondContact CA-OE2 3.45Å; L175-E179 HydrophobicContact CD2-CB 4.45Å; L175-E179 HydrophobicContact CD2-CG 4.27Å; L175-L181 HydrophobicContact CD2-CD1 3.87Å; L175-L181 HydrophobicContact CD2-CD2 3.67Å; L175-L181 HydrophobicContact CD2-CG 3.61Å; L175-K209 HydrophobicContact CD1-CG 4.43Å
176E94Very high93.9Very high133 Ų13357.3 Ų57.362%0.62131%0.311SS*.PPolyproline II helixtrans-73155.8164.4-66.6-59.4148.500111.1G178 E179E176-G178 PolarHBondContact O-N 2.95Å; E176-G178 VanDerWaalsContact O-N 3.1Å; E176-E179 HydrophobicContact CB-CB 4.18Å; E176-E179 PolarHBondContact N-OE2 3.03Å; E176-E179 WeakPolarHBondContact O-CB 3.47Å; E176-E179 PolarHBondContact O-N 2.75Å
177P88.4Confident93.6Very high116 Ų11658.8 Ų58.875%0.75332%0.32SS*.THydrogen-bonded Turntrans-56119.1178.6-25.935.1000112.4E179P177-E179 VanDerWaalsContact C-N 3.27Å; P177-E179 PolarHBondContact O-N 3.48Å
178G86.9Confident93.4Very high68 Ų6859.9 Ų59.970%0.70133%0.328SS*.THydrogen-bonded Turntrans83.8-4.9-179.300000114.8E176E176-G178 PolarHBondContact O-N 2.95Å; E176-G178 VanDerWaalsContact O-N 3.1Å
179E93.8Very high93.5Very high80 Ų8059 Ų5937%0.37433%0.325SS..  trans-62.6148.8174.5-170.1177.7-171.600111.3L175 E176 P177L175-E179 WeakPolarHBondContact CA-OE2 3.45Å; L175-E179 HydrophobicContact CD2-CB 4.45Å; L175-E179 HydrophobicContact CD2-CG 4.27Å; E176-E179 HydrophobicContact CB-CB 4.18Å; E176-E179 PolarHBondContact N-OE2 3.03Å; E176-E179 WeakPolarHBondContact O-CB 3.47Å; E176-E179 PolarHBondContact O-N 2.75Å; P177-E179 VanDerWaalsContact C-N 3.27Å; P177-E179 PolarHBondContact O-N 3.48Å
180R94.3Very high93.5Very high129 Ų12959.5 Ų59.549%0.48733%0.327SS..  trans-135.1141.2174.3-67.9-66.7-177-84.12.6109.5P205 Y207R180-P205 WeakPolarHBondContact CB-O 3.44Å; R180-P205 WeakPolarHBondContact CG-O 3.45Å; R180-Y207 WeakPolarHBondContact CA-O 3.49Å; R180-Y207 WeakPolarHBondContact CD-O 3.27Å
181L94.8Very high93.7Very high21 Ų2158.7 Ų58.711%0.1132%0.316CS..BIsolated β-bridgetrans-94.3153.7179.5-58.8171000110.4C173 L175 G206 Y207C173-L181 WeakPolarHBondContact SG-CD1 3.41Å; L175-L181 HydrophobicContact CD2-CD1 3.87Å; L175-L181 HydrophobicContact CD2-CD2 3.67Å; L175-L181 HydrophobicContact CD2-CG 3.61Å; L181-G206 CarbonylContact O-C 3.57Å; L181-G206 WeakPolarHBondContact O-CA 3.17Å; L181-Y207 HydrophobicContact CB-CD1 4.26Å; L181-Y207 HydrophobicContact CB-CD2 3.99Å; L181-Y207 HydrophobicContact CB-CE1 3.83Å; L181-Y207 HydrophobicContact CB-CE2 3.53Å; L181-Y207 HydrophobicContact CB-CG 4.33Å; L181-Y207 VanDerWaalsContact CB-CZ 3.43Å; L181-Y207 HydrophobicContact CD1-CD2 4.28Å; L181-Y207 HydrophobicContact CD1-CE2 3.59Å; L181-Y207 HydrophobicContact CG-CE2 4.2Å; L181-Y207 PolarHBondContact N-O 3.44Å; L181-Y207 WeakPolarHBondContact O-CD1 3.33Å; L181-Y207 PolarHBondContact O-N 3.21Å
182R94.3Very high93.9Very high135 Ų13554.9 Ų54.951%0.50930%0.299SS..  trans-129.9-15.7176.5-68.1-178.4142.2-155.9-3.1113.7V184 E202 H204R182-V184 PolarHBondContact O-N 3.03Å; R182-E202 VanDerWaalsContact CZ-O 3.24Å; R182-E202 PolarHBondContact NH1-O 3.24Å; R182-E202 VanDerWaalsContact NH1-O 3.09Å; R182-E202 PolarHBondContact NH2-O 3.09Å; R182-H204 PolarHBondContact NE-O 2.73Å; R182-H204 PolarHBondContact NH2-O 3.42Å
183E92Very high93.9Very high109 Ų10954.6 Ų54.651%0.50930%0.297SS..  trans-61.2133.6-179.8-176.4-170.4-17100111R149 C185 Y207R149-E183 IonicContact CZ-OE2 2.64Å; R149-E183 IonicContact NH1-OE2 2.75Å; R149-E183 PolarHBondContact NH1-OE2 2.84Å; R149-E183 IonicContact NH2-OE2 3.46Å; R149-E183 PolarHBondContact NH2-OE2 3.02Å; E183-C185 HydrophobicContact CG-CB 4.47Å; E183-C185 PolarHBondContact O-N 3.31Å; E183-Y207 VanDerWaalsContact O-CE1 3.29Å; E183-Y207 WeakPolarHBondContact O-CE1 3.26Å; E183-Y207 PolarHBondContact O-OH 2.78Å
184V92.7Very high94Very high77 Ų7753.7 Ų53.747%0.46729%0.29SS..  trans-90107.5173.5-174.90000108.3R182 I195R182-V184 PolarHBondContact O-N 3.03Å; V184-I195 HydrophobicContact CB-CG2 4.49Å; V184-I195 HydrophobicContact CG1-CG2 4.16Å
185C92.3Very high94Very high9 Ų950.1 Ų50.16%0.06127%0.273CS..  trans-140.8163.417862.30000110.5R149 F171 E183 L191R149-C185 VanDerWaalsContact CZ-SG 3.53Å; R149-C185 PolarHBondContact NH1-SG 3.2Å; F171-C185 HydrophobicContact CD1-CB 3.6Å; F171-C185 HydrophobicContact CE1-CB 3.92Å; F171-C185 HydrophobicContact CG-CB 4.38Å; E183-C185 HydrophobicContact CG-CB 4.47Å; E183-C185 PolarHBondContact O-N 3.31Å; C185-L191 WeakPolarHBondContact O-CD2 3.34Å
186G91.6Very high94Very high22 Ų2249.9 Ų49.923%0.22727%0.272CS..SBendtrans94.3179.3-17700000114.2D150D150-G186 VanDerWaalsContact OD1-CA 3.3Å; D150-G186 WeakPolarHBondContact OD1-CA 3.19Å
187T91.8Very high94Very high33 Ų3346.9 Ų46.920%0.20226%0.258CS..  trans-84.1125.7-170.6-54.30000111.7D150 K152 S189 Y190 L191D150-T187 WeakPolarHBondContact OD1-CB 3.34Å; D150-T187 PolarHBondContact OD1-N 3.44Å; D150-T187 PolarHBondContact OD1-OG1 3.48Å; K152-T187 HydrophobicContact CD-CG2 4.45Å; K152-T187 WeakPolarHBondContact CD-OG1 3.47Å; K152-T187 PolarHBondContact NZ-OG1 2.93Å; T187-S189 VanDerWaalsContact C-N 3.3Å; T187-S189 PolarHBondContact O-N 3.17Å; T187-Y190 HydrophobicContact CG2-CD2 3.95Å; T187-Y190 HydrophobicContact CG2-CE2 4.36Å; T187-Y190 PolarHBondContact O-N 2.91Å; T187-L191 PolarHBondContact O-N 3.47Å
188P93.4Very high94.2Very high49 Ų4942.1 Ų42.132%0.31823%0.227SC..G310 helixtrans-50.2-37.8-169.5-32.936000116.9Y190 I242P188-Y190 PolarHBondContact O-N 2.88Å; P188-I242 WeakPolarHBondContact O-CD1 3.37Å
189S93.9Very high94.3Very high26 Ų2642.2 Ų42.218%0.18222%0.217CC..G310 helixtrans-72.6-14.6-179.150.90000114.4T187T187-S189 VanDerWaalsContact C-N 3.3Å; T187-S189 PolarHBondContact O-N 3.17Å
190Y97.5Very high94.1Very high13 Ų1343.7 Ų43.75%0.05123%0.226CC..G310 helixtrans-111.2-1.8-178.7-60.8-88.7000112.6K152 P153 T187 P188 S215 V218 I219K152-Y190 HydrophobicContact CB-CD1 4.21Å; K152-Y190 HydrophobicContact CB-CD2 3.82Å; K152-Y190 HydrophobicContact CB-CE1 4.13Å; K152-Y190 HydrophobicContact CB-CE2 3.68Å; K152-Y190 HydrophobicContact CB-CG 4.09Å; P153-Y190 VanDerWaalsContact CD-CZ 3.5Å; P153-Y190 WeakPolarHBondContact CD-OH 3.37Å; T187-Y190 HydrophobicContact CG2-CD2 3.95Å; T187-Y190 HydrophobicContact CG2-CE2 4.36Å; T187-Y190 PolarHBondContact O-N 2.91Å; P188-Y190 PolarHBondContact O-N 2.88Å; Y190-S215 PolarHBondContact O-OG 3.5Å; Y190-V218 HydrophobicContact CD1-CB 3.8Å; Y190-V218 HydrophobicContact CD1-CG1 3.37Å; Y190-V218 HydrophobicContact CE1-CB 4.24Å; Y190-V218 HydrophobicContact CE1-CG1 3.52Å; Y190-V218 HydrophobicContact CG-CG1 4.21Å; Y190-I219 HydrophobicContact CD1-CG1 4.33Å; Y190-I219 HydrophobicContact CE1-CG1 4.09Å
191L97.3Very high93.9Very high12 Ų1241.3 Ų41.36%0.06322%0.222CC..  trans-65.2137.2178.3-65.9-178.6000111.1C185 T187 I195 I196 W214 I242C185-L191 WeakPolarHBondContact O-CD2 3.34Å; T187-L191 PolarHBondContact O-N 3.47Å; L191-I195 HydrophobicContact CD2-CD1 4.15Å; L191-I195 HydrophobicContact CD2-CG2 4.26Å; L191-I196 HydrophobicContact CB-CD1 4.42Å; L191-I196 HydrophobicContact CB-CG1 4.29Å; L191-I196 HydrophobicContact CD1-CG1 4.45Å; L191-W214 PolarHBondContact O-NE1 3.18Å; L191-I242 VanDerWaalsContact O-CG2 3.3Å; L191-I242 WeakPolarHBondContact O-CG2 3.43Å
192A98Very high93.5Very high0 Ų048.4 Ų48.40%026%0.255CS..  trans-75150.9172.200000111.2E194 I195 I196 V211 W214A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 VanDerWaalsContact CB-CD 3.45Å; A192-E194 HydrophobicContact CB-CG 4.31Å; A192-E194 WeakPolarHBondContact CB-OE1 3.45Å; A192-E194 WeakPolarHBondContact CB-OE2 3.48Å; A192-E194 PolarHBondContact O-N 3.41Å; A192-I195 HydrophobicContact CB-CD1 4.43Å; A192-I195 HydrophobicContact CB-CG1 4.44Å; A192-I195 PolarHBondContact O-N 3.25Å; A192-I195 VanDerWaalsContact O-N 3.09Å; A192-I196 PolarHBondContact O-N 3.3Å; A192-V211 HydrophobicContact CB-CB 3.99Å; A192-V211 HydrophobicContact CB-CG1 3.96Å; A192-W214 VanDerWaalsContact CA-CD1 3.49Å; A192-W214 HydrophobicContact CB-CB 3.72Å; A192-W214 HydrophobicContact CB-CD2 4.41Å; A192-W214 HydrophobicContact CB-CG 3.78Å
193P97.8Very high93.4Very high1 Ų148.8 Ų48.81%0.00627%0.267CS..Hα-helixtrans-51.7-42.9179.5-3037.9000113.5I195 I196 E197 W214 I242 V271P193-I195 VanDerWaalsContact C-N 3.3Å; P193-I195 PolarHBondContact O-N 3.31Å; P193-I196 WeakPolarHBondContact O-CB 3.26Å; P193-I196 PolarHBondContact O-N 3.45Å; P193-I196 VanDerWaalsContact O-N 3.09Å; P193-E197 WeakPolarHBondContact O-CG 3.29Å; P193-E197 PolarHBondContact O-N 3.38Å; P193-W214 HydrophobicContact CG-CD2 4.45Å; P193-W214 HydrophobicContact CG-CE3 4.15Å; P193-W214 HydrophobicContact CG-CH2 3.55Å; P193-W214 HydrophobicContact CG-CZ2 3.9Å; P193-W214 HydrophobicContact CG-CZ3 3.69Å; P193-I242 HydrophobicContact CG-CG2 4.09Å; P193-I242 WeakPolarHBondContact CG-O 3.49Å; P193-V271 HydrophobicContact CB-CG1 4.03Å; P193-V271 HydrophobicContact CG-CG1 4.22Å; P193-V271 HydrophobicContact CG-CG2 4.42Å
194E97.4Very high93.4Very high6 Ų645 Ų453%0.02825%0.249CC..Hα-helixtrans-65.6-27.6-178.262.4-88.7-151.500113.7A192 C198 V211 P273 R276A192-E194 VanDerWaalsContact C-N 3.26Å; A192-E194 VanDerWaalsContact CB-CD 3.45Å; A192-E194 HydrophobicContact CB-CG 4.31Å; A192-E194 WeakPolarHBondContact CB-OE1 3.45Å; A192-E194 WeakPolarHBondContact CB-OE2 3.48Å; A192-E194 PolarHBondContact O-N 3.41Å; E194-C198 PolarHBondContact O-N 3.44Å; E194-C198 PolarHBondContact O-SG 3.49Å; E194-V211 HydrophobicContact CG-CG1 4.02Å; E194-P273 HydrophobicContact CB-CG 4.04Å; E194-P273 VanDerWaalsContact CD-CG 3.44Å; E194-P273 HydrophobicContact CG-CG 3.9Å; E194-R276 IonicContact OE1-CZ 3.65Å; E194-R276 IonicContact OE1-NH1 2.8Å; E194-R276 PolarHBondContact OE1-NH1 3.06Å; E194-R276 IonicContact OE1-NH2 3.8Å; E194-R276 PolarHBondContact OE1-NH2 3.18Å; E194-R276 IonicContact OE2-CZ 2.9Å; E194-R276 IonicContact OE2-NH1 3.33Å; E194-R276 IonicContact OE2-NH2 3.78Å; E194-R276 PolarHBondContact OE2-NH2 2.96Å
195I96.5Very high93.4Very high3 Ų346 Ų462%0.01526%0.258CS..Hα-helixtrans-68.6-43172.9-61.9176.1000109.4V184 L191 A192 P193 C198 S199 Y207 V211V184-I195 HydrophobicContact CB-CG2 4.49Å; V184-I195 HydrophobicContact CG1-CG2 4.16Å; L191-I195 HydrophobicContact CD2-CD1 4.15Å; L191-I195 HydrophobicContact CD2-CG2 4.26Å; A192-I195 HydrophobicContact CB-CD1 4.43Å; A192-I195 HydrophobicContact CB-CG1 4.44Å; A192-I195 PolarHBondContact O-N 3.25Å; A192-I195 VanDerWaalsContact O-N 3.09Å; P193-I195 VanDerWaalsContact C-N 3.3Å; P193-I195 PolarHBondContact O-N 3.31Å; I195-C198 PolarHBondContact O-N 2.84Å; I195-S199 PolarHBondContact O-N 3.41Å; I195-Y207 HydrophobicContact CB-CD1 4.45Å; I195-Y207 HydrophobicContact CB-CE1 4.48Å; I195-Y207 HydrophobicContact CD1-CE2 4.39Å; I195-Y207 HydrophobicContact CG1-CD1 3.84Å; I195-Y207 HydrophobicContact CG1-CD2 4.13Å; I195-Y207 HydrophobicContact CG1-CE1 3.95Å; I195-Y207 HydrophobicContact CG1-CE2 4.22Å; I195-Y207 HydrophobicContact CG1-CG 3.93Å; I195-Y207 HydrophobicContact CG2-CE1 4.33Å; I195-V211 HydrophobicContact CD1-CB 3.87Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 4.33Å; I195-V211 HydrophobicContact CG1-CB 4.39Å; I195-V211 HydrophobicContact CG1-CG1 3.73Å
196I95.4Very high93.5Very high5 Ų546 Ų463%0.02626%0.259CS..Hα-helixtrans-66.6-43.1179.2-57.6168.4000109.7L191 A192 P193 C198 S199 M200 L239 I242 M243L191-I196 HydrophobicContact CB-CD1 4.42Å; L191-I196 HydrophobicContact CB-CG1 4.29Å; L191-I196 HydrophobicContact CD1-CG1 4.45Å; A192-I196 PolarHBondContact O-N 3.3Å; P193-I196 WeakPolarHBondContact O-CB 3.26Å; P193-I196 PolarHBondContact O-N 3.45Å; P193-I196 VanDerWaalsContact O-N 3.09Å; I196-C198 PolarHBondContact O-N 2.81Å; I196-S199 WeakPolarHBondContact O-CB 3.41Å; I196-S199 PolarHBondContact O-N 3.44Å; I196-S199 VanDerWaalsContact O-N 3.15Å; I196-S199 PolarHBondContact O-OG 3.1Å; I196-M200 HydrophobicContact CG2-CE 3.53Å; I196-M200 HydrophobicContact CG2-SD 4.37Å; I196-M200 PolarHBondContact O-N 2.96Å; I196-L239 HydrophobicContact CD1-CB 4.39Å; I196-L239 HydrophobicContact CD1-CD2 3.68Å; I196-L239 HydrophobicContact CG1-CD2 4.23Å; I196-I242 HydrophobicContact CD1-CB 3.99Å; I196-I242 HydrophobicContact CD1-CD1 4.35Å; I196-I242 HydrophobicContact CD1-CG2 3.51Å; I196-M243 HydrophobicContact CB-CG 4.3Å; I196-M243 HydrophobicContact CD1-CG 4.37Å; I196-M243 HydrophobicContact CG2-CG 3.96Å; I196-M243 HydrophobicContact CG2-SD 3.75Å
197E94.1Very high93.7Very high71 Ų7145.1 Ų45.133%0.33225%0.249SC..Hα-helixtrans-62.4-40.1176.9-73.7-178.4-174.800112.6P193 S199 M200 N201 H204 M243P193-E197 WeakPolarHBondContact O-CG 3.29Å; P193-E197 PolarHBondContact O-N 3.38Å; E197-S199 PolarHBondContact O-N 3.24Å; E197-M200 PolarHBondContact O-N 3.01Å; E197-N201 PolarHBondContact O-N 3.07Å; E197-H204 IonicContact OE2-CD2 3.97Å; E197-H204 IonicContact OE2-NE2 3.86Å; E197-M243 HydrophobicContact CG-CE 3.82Å
198C92.7Very high94Very high15 Ų1543.7 Ų43.710%0.10124%0.24CC..Hα-helixtrans-55.3-36.3173.4-73.10000112.7E194 I195 I196 M200 H204 G206E194-C198 PolarHBondContact O-N 3.44Å; E194-C198 PolarHBondContact O-SG 3.49Å; I195-C198 PolarHBondContact O-N 2.84Å; I196-C198 PolarHBondContact O-N 2.81Å; C198-M200 VanDerWaalsContact C-N 3.28Å; C198-M200 PolarHBondContact O-N 3.2Å; C198-H204 PolarHBondContact SG-ND1 3.35Å; C198-G206 VanDerWaalsContact SG-CA 3.57Å
199S89.4Confident94.2Very high70 Ų7043.7 Ų43.749%0.4924%0.235SC..Hα-helixtrans-72.6-22.3-179.882.20000113.8I195 I196 E197I195-S199 PolarHBondContact O-N 3.41Å; I196-S199 WeakPolarHBondContact O-CB 3.41Å; I196-S199 PolarHBondContact O-N 3.44Å; I196-S199 VanDerWaalsContact O-N 3.15Å; I196-S199 PolarHBondContact O-OG 3.1Å; E197-S199 PolarHBondContact O-N 3.24Å
200M89.6Confident94.4Very high112 Ų11245.6 Ų45.655%0.55224%0.241SC*.Hα-helixtrans-103.3-21.9-175-62.6-177.4-174.700112.8I196 E197 C198 M243I196-M200 HydrophobicContact CG2-CE 3.53Å; I196-M200 HydrophobicContact CG2-SD 4.37Å; I196-M200 PolarHBondContact O-N 2.96Å; E197-M200 PolarHBondContact O-N 3.01Å; C198-M200 VanDerWaalsContact C-N 3.28Å; C198-M200 PolarHBondContact O-N 3.2Å; M200-M243 HydrophobicContact CE-SD 4.13Å; M200-M243 HydrophobicContact SD-CE 4.05Å; M200-M243 HydrophobicContact SD-SD 4.11Å
201N89.8Confident94.4Very high78 Ų7845 Ų4542%0.41724%0.239SC..  trans-129.9107.1-175.7-177.75.5000111.3E197 D203 H204E197-N201 PolarHBondContact O-N 3.07Å; N201-D203 PolarHBondContact O-N 3.49Å; N201-D203 VanDerWaalsContact O-N 3.16Å; N201-D203 WeakPolarHBondContact OD1-CB 3.09Å; N201-D203 PolarHBondContact OD1-N 2.68Å; N201-H204 HydrophobicContact CB-CB 4.33Å; N201-H204 WeakPolarHBondContact O-CB 3.3Å; N201-H204 PolarHBondContact O-N 2.92Å; N201-H204 VanDerWaalsContact O-N 3.08Å
202E87Confident94.5Very high170 Ų17044.5 Ų44.579%0.79424%0.236SC*.THydrogen-bonded Turntrans-63.8-16.9178.5-68.4-173178.700114R182R182-E202 VanDerWaalsContact CZ-O 3.24Å; R182-E202 PolarHBondContact NH1-O 3.24Å; R182-E202 VanDerWaalsContact NH1-O 3.09Å; R182-E202 PolarHBondContact NH2-O 3.09Å
203D91.6Very high94.5Very high144 Ų14444.6 Ų44.677%0.7724%0.237SC*.THydrogen-bonded Turntrans-91.8-3.3177.5-65.4-40.2000112.9N201N201-D203 PolarHBondContact O-N 3.49Å; N201-D203 VanDerWaalsContact O-N 3.16Å; N201-D203 WeakPolarHBondContact OD1-CB 3.09Å; N201-D203 PolarHBondContact OD1-N 2.68Å
204H92.5Very high94.6Very high29 Ų2944.6 Ų44.613%0.13424%0.237CC..  trans-64.4135-178.9-171-85.7000111R182 E197 C198 N201 G206R182-H204 PolarHBondContact NE-O 2.73Å; R182-H204 PolarHBondContact NH2-O 3.42Å; E197-H204 IonicContact OE2-CD2 3.97Å; E197-H204 IonicContact OE2-NE2 3.86Å; C198-H204 PolarHBondContact SG-ND1 3.35Å; N201-H204 HydrophobicContact CB-CB 4.33Å; N201-H204 WeakPolarHBondContact O-CB 3.3Å; N201-H204 PolarHBondContact O-N 2.92Å; N201-H204 VanDerWaalsContact O-N 3.08Å; H204-G206 PolarHBondContact CE1-O 2.87Å; H204-G206 PolarHBondContact ND1-N 2.9Å; H204-G206 VanDerWaalsContact ND1-N 3.12Å; H204-G206 PolarHBondContact O-N 3.25Å
205P91.3Very high94.6Very high99 Ų9944.5 Ų44.564%0.64324%0.237SC*.  trans-65.3-7.4-174.326.1-36.5000114.9R180R180-P205 WeakPolarHBondContact CB-O 3.44Å; R180-P205 WeakPolarHBondContact CG-O 3.45Å
206G94.8Very high94.7Very high8 Ų844.4 Ų44.48%0.08224%0.236CC..  trans94.8-177.2-175.900000112.7L181 C198 H204L181-G206 CarbonylContact O-C 3.57Å; L181-G206 WeakPolarHBondContact O-CA 3.17Å; C198-G206 VanDerWaalsContact SG-CA 3.57Å; H204-G206 PolarHBondContact CE1-O 2.87Å; H204-G206 PolarHBondContact ND1-N 2.9Å; H204-G206 VanDerWaalsContact ND1-N 3.12Å; H204-G206 PolarHBondContact O-N 3.25Å
207Y96.4Very high94.9Very high4 Ų444.1 Ų44.12%0.01624%0.235CC..BIsolated β-bridgetrans-123.4167.2-17965.3-95.2000111.8R149 R180 L181 E183 I195 V211R149-Y207 PolarHBondContact NH1-OH 3.34Å; R180-Y207 WeakPolarHBondContact CA-O 3.49Å; R180-Y207 WeakPolarHBondContact CD-O 3.27Å; L181-Y207 HydrophobicContact CB-CD1 4.26Å; L181-Y207 HydrophobicContact CB-CD2 3.99Å; L181-Y207 HydrophobicContact CB-CE1 3.83Å; L181-Y207 HydrophobicContact CB-CE2 3.53Å; L181-Y207 HydrophobicContact CB-CG 4.33Å; L181-Y207 VanDerWaalsContact CB-CZ 3.43Å; L181-Y207 HydrophobicContact CD1-CD2 4.28Å; L181-Y207 HydrophobicContact CD1-CE2 3.59Å; L181-Y207 HydrophobicContact CG-CE2 4.2Å; L181-Y207 PolarHBondContact N-O 3.44Å; L181-Y207 WeakPolarHBondContact O-CD1 3.33Å; L181-Y207 PolarHBondContact O-N 3.21Å; E183-Y207 VanDerWaalsContact O-CE1 3.29Å; E183-Y207 WeakPolarHBondContact O-CE1 3.26Å; E183-Y207 PolarHBondContact O-OH 2.78Å; I195-Y207 HydrophobicContact CB-CD1 4.45Å; I195-Y207 HydrophobicContact CB-CE1 4.48Å; I195-Y207 HydrophobicContact CD1-CE2 4.39Å; I195-Y207 HydrophobicContact CG1-CD1 3.84Å; I195-Y207 HydrophobicContact CG1-CD2 4.13Å; I195-Y207 HydrophobicContact CG1-CE1 3.95Å; I195-Y207 HydrophobicContact CG1-CE2 4.22Å; I195-Y207 HydrophobicContact CG1-CG 3.93Å; I195-Y207 HydrophobicContact CG2-CE1 4.33Å; Y207-V211 HydrophobicContact CD2-CB 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 3.47Å; Y207-V211 VanDerWaalsContact CD2-CG1 3.47Å; Y207-V211 HydrophobicContact CD2-CG2 4.19Å; Y207-V211 HydrophobicContact CE2-CG1 4.29Å; Y207-V211 HydrophobicContact CE2-CG2 4.39Å; Y207-V211 HydrophobicContact CG-CG1 3.88Å
208G96.9Very high95.1Very high2 Ų240.8 Ų40.82%0.02122%0.219CC..  trans-134.6-145.7-178.700000112.7E210 V211G208-E210 WeakPolarHBondContact CA-OE2 3.16Å; G208-E210 PolarHBondContact N-OE2 3.12Å; G208-E210 PolarHBondContact O-N 3.47Å; G208-V211 WeakPolarHBondContact O-CG2 3.46Å
209K97.7Very high95.4Very high50 Ų5040 Ų4022%0.21721%0.214CC..THydrogen-bonded Turntrans-65.1-22.7-177.3-67.9169.3-168.1-177.10113.4H142 N145 V147 L175 V211 D212H142-K209 HydrophobicContact CB-CD 3.97Å; H142-K209 PolarHBondContact CE1-O 2.9Å; H142-K209 PolarHBondContact NE2-O 3.38Å; H142-K209 WeakPolarHBondContact O-CE 3.32Å; H142-K209 PolarHBondContact O-NZ 2.81Å; N145-K209 PolarHBondContact OD1-NZ 2.85Å; V147-K209 HydrophobicContact CG2-CB 4.36Å; V147-K209 HydrophobicContact CG2-CG 3.7Å; L175-K209 HydrophobicContact CD1-CG 4.43Å; K209-V211 PolarHBondContact O-N 2.87Å; K209-V211 VanDerWaalsContact O-N 3.13Å; K209-D212 PolarHBondContact O-N 3.27Å
210E98.1Very high95.8Very high66 Ų6636.7 Ų36.731%0.30819%0.191SC..Hα-helixtrans-61.2-25.2-174.1-56.377.5-169.700111.8G208 D212 M213 W214 P273 R276G208-E210 WeakPolarHBondContact CA-OE2 3.16Å; G208-E210 PolarHBondContact N-OE2 3.12Å; G208-E210 PolarHBondContact O-N 3.47Å; E210-D212 VanDerWaalsContact C-N 3.3Å; E210-D212 PolarHBondContact O-N 3.17Å; E210-M213 WeakPolarHBondContact O-CB 3.3Å; E210-M213 PolarHBondContact O-N 2.77Å; E210-M213 VanDerWaalsContact O-N 3.07Å; E210-W214 PolarHBondContact O-N 3.18Å; E210-P273 HydrophobicContact CB-CB 3.84Å; E210-P273 HydrophobicContact CG-CB 4.03Å; E210-R276 VanDerWaalsContact C-NH1 3.27Å; E210-R276 PolarHBondContact O-NH1 2.98Å
211V98.4Very high96.3Very high1 Ų132.2 Ų32.21%0.00617%0.168CC..Hα-helixtrans-61.7-36.8178.7-55.50000112.4V147 A192 E194 I195 Y207 G208 K209 M213 W214 S215V147-V211 HydrophobicContact CG1-CG2 3.8Å; A192-V211 HydrophobicContact CB-CB 3.99Å; A192-V211 HydrophobicContact CB-CG1 3.96Å; E194-V211 HydrophobicContact CG-CG1 4.02Å; I195-V211 HydrophobicContact CD1-CB 3.87Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 4.33Å; I195-V211 HydrophobicContact CG1-CB 4.39Å; I195-V211 HydrophobicContact CG1-CG1 3.73Å; Y207-V211 HydrophobicContact CD2-CB 4.46Å; Y207-V211 HydrophobicContact CD2-CG1 3.47Å; Y207-V211 VanDerWaalsContact CD2-CG1 3.47Å; Y207-V211 HydrophobicContact CD2-CG2 4.19Å; Y207-V211 HydrophobicContact CE2-CG1 4.29Å; Y207-V211 HydrophobicContact CE2-CG2 4.39Å; Y207-V211 HydrophobicContact CG-CG1 3.88Å; G208-V211 WeakPolarHBondContact O-CG2 3.46Å; K209-V211 PolarHBondContact O-N 2.87Å; K209-V211 VanDerWaalsContact O-N 3.13Å; V211-M213 PolarHBondContact O-N 3.39Å; V211-W214 WeakPolarHBondContact O-CB 3.36Å; V211-W214 PolarHBondContact O-N 3.05Å; V211-W214 VanDerWaalsContact O-N 3.17Å; V211-S215 PolarHBondContact O-N 2.76Å; V211-S215 VanDerWaalsContact O-N 3.12Å; V211-S215 PolarHBondContact O-OG 3.06Å
212D98.8Very high96.6Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-63.9-33.1176.6-71.7-21.1000110.8I138 H142 V147 H148 R149 L151 K209 E210 S215 T216I138-D212 HydrophobicContact CG2-CB 4.43Å; H142-D212 IonicContact CD2-OD2 3.85Å; H142-D212 IonicContact CE1-OD2 3.45Å; H142-D212 IonicContact NE2-OD2 3.48Å; H142-D212 PolarHBondContact NE2-OD2 2.91Å; V147-D212 WeakPolarHBondContact CG1-OD2 3.49Å; H148-D212 PolarHBondContact N-OD1 3.07Å; H148-D212 PolarHBondContact N-OD2 3.24Å; R149-D212 PolarHBondContact N-OD1 3.32Å; L151-D212 HydrophobicContact CD1-CB 3.64Å; L151-D212 WeakPolarHBondContact CD1-O 3.49Å; K209-D212 PolarHBondContact O-N 3.27Å; E210-D212 VanDerWaalsContact C-N 3.3Å; E210-D212 PolarHBondContact O-N 3.17Å; D212-S215 PolarHBondContact O-N 2.7Å; D212-T216 WeakPolarHBondContact O-CB 3.43Å; D212-T216 PolarHBondContact O-N 3.24Å; D212-T216 PolarHBondContact O-OG1 3.32Å
213M98.8Very high97.1Very high3 Ų320.9 Ų20.92%0.01511%0.113CC..Hα-helixtrans-71-33.3178.4-55.3-53-51.300111.8L135 I138 E210 V211 T216 G217 F268 R276 Y277 A279 A282L135-M213 HydrophobicContact CD2-CE 3.69Å; I138-M213 HydrophobicContact CG2-SD 3.76Å; E210-M213 WeakPolarHBondContact O-CB 3.3Å; E210-M213 PolarHBondContact O-N 2.77Å; E210-M213 VanDerWaalsContact O-N 3.07Å; V211-M213 PolarHBondContact O-N 3.39Å; M213-T216 WeakPolarHBondContact O-CB 3.09Å; M213-G217 PolarHBondContact O-N 3.12Å; M213-G217 VanDerWaalsContact O-N 3.09Å; M213-F268 HydrophobicContact CE-CD1 3.9Å; M213-F268 HydrophobicContact CE-CE1 3.43Å; M213-F268 VanDerWaalsContact CE-CE1 3.43Å; M213-F268 HydrophobicContact CE-CZ 4.49Å; M213-R276 HydrophobicContact CB-CG 4.17Å; M213-Y277 WeakPolarHBondContact CB-O 3.26Å; M213-Y277 WeakPolarHBondContact CE-O 3.35Å; M213-Y277 VanDerWaalsContact CG-O 3.27Å; M213-Y277 WeakPolarHBondContact CG-O 3.41Å; M213-A279 HydrophobicContact CE-CB 4.2Å; M213-A279 HydrophobicContact SD-CB 3.99Å; M213-A282 HydrophobicContact CE-CB 4.45Å
214W98.8Very high97.3Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-64.9-52.2171.7176.4-87.8000110.9L191 A192 P193 E210 V211 T216 G217 V218 F230 I242 L269L191-W214 PolarHBondContact O-NE1 3.18Å; A192-W214 VanDerWaalsContact CA-CD1 3.49Å; A192-W214 HydrophobicContact CB-CB 3.72Å; A192-W214 HydrophobicContact CB-CD2 4.41Å; A192-W214 HydrophobicContact CB-CG 3.78Å; P193-W214 HydrophobicContact CG-CD2 4.45Å; P193-W214 HydrophobicContact CG-CE3 4.15Å; P193-W214 HydrophobicContact CG-CH2 3.55Å; P193-W214 HydrophobicContact CG-CZ2 3.9Å; P193-W214 HydrophobicContact CG-CZ3 3.69Å; E210-W214 PolarHBondContact O-N 3.18Å; V211-W214 WeakPolarHBondContact O-CB 3.36Å; V211-W214 PolarHBondContact O-N 3.05Å; V211-W214 VanDerWaalsContact O-N 3.17Å; W214-T216 PolarHBondContact O-N 2.85Å; W214-G217 WeakPolarHBondContact O-CA 3.2Å; W214-G217 PolarHBondContact O-N 2.95Å; W214-V218 PolarHBondContact O-N 3.09Å; W214-F230 AromaticContact CE2-CE2 3.99Å; W214-F230 HydrophobicContact CH2-CE2 4.02Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.19Å; W214-F230 AromaticContact CZ2-CE2 3.3Å; W214-F230 HydrophobicContact CZ2-CE2 3.3Å; W214-F230 AromaticContact CZ2-CZ 3.51Å; W214-F230 HydrophobicContact CZ2-CZ 3.51Å; W214-I242 HydrophobicContact CZ2-CG2 3.8Å; W214-L269 HydrophobicContact CD2-CD2 4.04Å; W214-L269 HydrophobicContact CE3-CD2 4.21Å; W214-L269 HydrophobicContact CZ2-CD2 4.39Å; W214-L269 HydrophobicContact CZ3-CB 4.41Å; W214-L269 HydrophobicContact CZ3-CD2 4.48Å
215S98.8Very high97.3Very high5 Ų513.1 Ų13.14%0.0357%0.074CC..Hα-helixtrans-58.4-36.1178.4-520000111.5Y190 V211 D212 G217 V218 I219Y190-S215 PolarHBondContact O-OG 3.5Å; V211-S215 PolarHBondContact O-N 2.76Å; V211-S215 VanDerWaalsContact O-N 3.12Å; V211-S215 PolarHBondContact O-OG 3.06Å; D212-S215 PolarHBondContact O-N 2.7Å; S215-G217 PolarHBondContact O-N 3.3Å; S215-V218 PolarHBondContact O-N 3.33Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.5Å; S215-I219 PolarHBondContact O-N 2.58Å
216T98.8Very high97.2Very high0 Ų010 Ų100%06%0.06CC..Hα-helixtrans-60.4-41.6171.8-60.80000112.5M131 L134 L135 I138 D212 M213 W214 I219 M220 F268M131-T216 HydrophobicContact CE-CG2 3.31Å; L134-T216 HydrophobicContact CD2-CG2 4.32Å; L135-T216 HydrophobicContact CD2-CG2 3.91Å; L135-T216 HydrophobicContact CG-CG2 4.5Å; I138-T216 HydrophobicContact CD1-CG2 4.3Å; I138-T216 WeakPolarHBondContact CD1-OG1 3.43Å; D212-T216 WeakPolarHBondContact O-CB 3.43Å; D212-T216 PolarHBondContact O-N 3.24Å; D212-T216 PolarHBondContact O-OG1 3.32Å; M213-T216 WeakPolarHBondContact O-CB 3.09Å; W214-T216 PolarHBondContact O-N 2.85Å; T216-I219 PolarHBondContact O-N 3.5Å; T216-M220 WeakPolarHBondContact O-CB 3.29Å; T216-M220 PolarHBondContact O-N 3.09Å; T216-F268 HydrophobicContact CG2-CE1 4.38Å; T216-F268 HydrophobicContact CG2-CE2 4.43Å; T216-F268 HydrophobicContact CG2-CZ 4.19Å
217G98.8Very high97Very high0 Ų012.3 Ų12.30%08%0.075CC..Hα-helixtrans-62.8-42.1172.400000113.1M213 W214 S215 M220 Y221M213-G217 PolarHBondContact O-N 3.12Å; M213-G217 VanDerWaalsContact O-N 3.09Å; W214-G217 WeakPolarHBondContact O-CA 3.2Å; W214-G217 PolarHBondContact O-N 2.95Å; S215-G217 PolarHBondContact O-N 3.3Å; G217-M220 PolarHBondContact O-N 2.99Å; G217-Y221 WeakPolarHBondContact O-CB 3.2Å; G217-Y221 PolarHBondContact O-N 2.95Å
218V98.8Very high96.9Very high0 Ų014 Ų140%09%0.087CC..Hα-helixtrans-63.1-44.5176179.80000110.6Y190 W214 S215 T222 P229 F230 L269Y190-V218 HydrophobicContact CD1-CB 3.8Å; Y190-V218 HydrophobicContact CD1-CG1 3.37Å; Y190-V218 HydrophobicContact CE1-CB 4.24Å; Y190-V218 HydrophobicContact CE1-CG1 3.52Å; Y190-V218 HydrophobicContact CG-CG1 4.21Å; W214-V218 PolarHBondContact O-N 3.09Å; S215-V218 PolarHBondContact O-N 3.33Å; V218-T222 WeakPolarHBondContact O-CB 3.05Å; V218-T222 PolarHBondContact O-N 2.91Å; V218-T222 PolarHBondContact O-OG1 3.04Å; V218-P229 HydrophobicContact CB-CG 4.38Å; V218-P229 HydrophobicContact CG1-CG 4.06Å; V218-P229 HydrophobicContact CG2-CG 4.23Å; V218-F230 HydrophobicContact CG2-CD2 4.44Å; V218-F230 HydrophobicContact CG2-CE2 4.24Å; V218-L269 HydrophobicContact CG2-CD2 3.84Å
219I98.7Very high96.9Very high0 Ų014.4 Ų14.40%09%0.089CC..Hα-helixtrans-58-53.1174.1-69.4161.8000109.8M131 L134 L151 P153 I156 Y190 S215 T216 Y221 T222 L223M131-I219 HydrophobicContact SD-CG2 4.2Å; L134-I219 HydrophobicContact CD2-CD1 4.1Å; L134-I219 HydrophobicContact CD2-CG2 4.42Å; L151-I219 HydrophobicContact CB-CD1 4.02Å; P153-I219 HydrophobicContact CG-CG1 4.36Å; I156-I219 HydrophobicContact CD1-CD1 4.11Å; Y190-I219 HydrophobicContact CD1-CG1 4.33Å; Y190-I219 HydrophobicContact CE1-CG1 4.09Å; S215-I219 VanDerWaalsContact O-CG1 3.29Å; S215-I219 WeakPolarHBondContact O-CG1 3.5Å; S215-I219 PolarHBondContact O-N 2.58Å; T216-I219 PolarHBondContact O-N 3.5Å; I219-Y221 VanDerWaalsContact C-N 3.34Å; I219-Y221 PolarHBondContact O-N 3.2Å; I219-T222 PolarHBondContact O-N 2.85Å; I219-L223 HydrophobicContact CG2-CD1 3.94Å; I219-L223 HydrophobicContact CG2-CG 4.16Å; I219-L223 WeakPolarHBondContact O-CG 3.49Å; I219-L223 PolarHBondContact O-N 3.26Å
220M98.6Very high96.8Very high0 Ų012.1 Ų12.10%08%0.079CC..Hα-helixtrans-59.1-44.7-177-170.8171.8174.700112.4T127 M131 T216 G217 T222 L223 L224 V261 L264 V265 F268 F287T127-M220 HydrophobicContact CG2-CG 4.16Å; M131-M220 HydrophobicContact CE-CB 3.69Å; M131-M220 HydrophobicContact CE-CG 4.2Å; M131-M220 HydrophobicContact CE-SD 4.3Å; M131-M220 HydrophobicContact CG-CB 4.33Å; M131-M220 HydrophobicContact CG-CG 3.97Å; M131-M220 HydrophobicContact CG-SD 4.23Å; M131-M220 HydrophobicContact SD-CB 3.85Å; M131-M220 HydrophobicContact SD-CG 4.15Å; T216-M220 WeakPolarHBondContact O-CB 3.29Å; T216-M220 PolarHBondContact O-N 3.09Å; G217-M220 PolarHBondContact O-N 2.99Å; M220-T222 VanDerWaalsContact C-N 3.33Å; M220-L223 PolarHBondContact O-N 2.87Å; M220-L224 HydrophobicContact CE-CD1 4.37Å; M220-L224 HydrophobicContact CG-CD1 4.27Å; M220-L224 WeakPolarHBondContact O-CD1 3.32Å; M220-L224 WeakPolarHBondContact O-CG 3.34Å; M220-L224 PolarHBondContact O-N 3.42Å; M220-V261 HydrophobicContact CE-CG2 3.27Å; M220-L264 HydrophobicContact CE-CB 4.37Å; M220-L264 HydrophobicContact CE-CD2 3.81Å; M220-L264 HydrophobicContact CE-CG 4.21Å; M220-L264 HydrophobicContact SD-CD2 3.95Å; M220-L264 HydrophobicContact SD-CG 4.05Å; M220-V265 HydrophobicContact CB-CG2 4.32Å; M220-V265 HydrophobicContact CE-CG2 4.17Å; M220-V265 HydrophobicContact CG-CG2 3.88Å; M220-V265 HydrophobicContact SD-CG2 3.92Å; M220-F268 HydrophobicContact SD-CD2 4.25Å; M220-F268 HydrophobicContact SD-CE2 3.78Å; M220-F287 HydrophobicContact CE-CD1 4.09Å; M220-F287 HydrophobicContact CE-CE1 3.7Å; M220-F287 HydrophobicContact CE-CE2 4.47Å; M220-F287 HydrophobicContact CE-CZ 3.93Å
221Y98.6Very high96.6Very high18 Ų1817.1 Ų17.17%0.07110%0.095CC..Hα-helixtrans-58.1-48.4174.2-176.3-72.2000110.5G217 I219 L223 L224 A225 S227 P229 Y247 Q248 F249 W254 V265G217-Y221 WeakPolarHBondContact O-CB 3.2Å; G217-Y221 PolarHBondContact O-N 2.95Å; I219-Y221 VanDerWaalsContact C-N 3.34Å; I219-Y221 PolarHBondContact O-N 3.2Å; Y221-L223 PolarHBondContact O-N 2.73Å; Y221-L224 PolarHBondContact O-N 2.93Å; Y221-A225 HydrophobicContact CD1-CB 3.96Å; Y221-A225 HydrophobicContact CE1-CB 3.58Å; Y221-A225 WeakPolarHBondContact O-CB 3.47Å; Y221-A225 PolarHBondContact O-N 2.89Å; Y221-S227 VanDerWaalsContact CD1-O 3.28Å; Y221-S227 WeakPolarHBondContact CD1-O 3.49Å; Y221-S227 VanDerWaalsContact CE1-O 3.29Å; Y221-S227 WeakPolarHBondContact CE1-O 3.28Å; Y221-P229 HydrophobicContact CD1-CB 3.72Å; Y221-P229 VanDerWaalsContact CD1-CD 3.43Å; Y221-P229 HydrophobicContact CD1-CG 4Å; Y221-P229 HydrophobicContact CD2-CB 3.8Å; Y221-P229 HydrophobicContact CD2-CG 4.46Å; Y221-P229 HydrophobicContact CE1-CB 3.9Å; Y221-P229 HydrophobicContact CE2-CB 3.99Å; Y221-P229 HydrophobicContact CG-CB 3.69Å; Y221-P229 HydrophobicContact CG-CG 3.94Å; Y221-Y247 HydrophobicContact CD2-CD2 4.34Å; Y221-Y247 HydrophobicContact CE2-CD2 4.11Å; Y221-Q248 PolarHBondContact OH-O 2.99Å; Y221-F249 HydrophobicContact CD2-CE1 4.17Å; Y221-F249 HydrophobicContact CE2-CD1 4.12Å; Y221-F249 HydrophobicContact CE2-CE1 4.18Å; Y221-W254 HydrophobicContact CD1-CZ2 4.09Å; Y221-W254 AromaticContact CD2-CH2 3.97Å; Y221-W254 HydrophobicContact CD2-CH2 3.97Å; Y221-W254 AromaticContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CE1-CZ2 4.08Å; Y221-W254 AromaticContact CE2-CE2 3.75Å; Y221-W254 HydrophobicContact CE2-CH2 4.28Å; Y221-W254 AromaticContact CE2-CZ2 3.35Å; Y221-W254 HydrophobicContact CE2-CZ2 3.35Å; Y221-W254 AromaticContact CE2-NE1 3.79Å; Y221-W254 HydrophobicContact CG-CH2 4.35Å; Y221-W254 AromaticContact CG-CZ2 3.75Å; Y221-W254 HydrophobicContact CG-CZ2 3.75Å; Y221-W254 AromaticContact CZ-CE2 3.88Å; Y221-W254 AromaticContact CZ-CZ2 3.71Å; Y221-W254 AromaticContact CZ-NE1 3.51Å; Y221-W254 PolarHBondContact OH-NE1 2.64Å; Y221-V265 HydrophobicContact CD2-CG1 4.06Å
222T96.9Very high96.3Very high10 Ų1020.3 Ų20.36%0.06111%0.109CC..Hα-helixtrans-64.3-39.4-176.6-53.60000112.1L116 V218 I219 M220 L224 G226 P228L116-T222 HydrophobicContact CD2-CG2 3.84Å; V218-T222 WeakPolarHBondContact O-CB 3.05Å; V218-T222 PolarHBondContact O-N 2.91Å; V218-T222 PolarHBondContact O-OG1 3.04Å; I219-T222 PolarHBondContact O-N 2.85Å; M220-T222 VanDerWaalsContact C-N 3.33Å; T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 3.18Å; T222-G226 VanDerWaalsContact O-CA 3.26Å; T222-G226 WeakPolarHBondContact O-CA 3.32Å; T222-G226 PolarHBondContact O-N 3.19Å; T222-P228 WeakPolarHBondContact OG1-CA 3.29Å
223L97Very high95.9Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-62.4-34.6176.7-66178000112.5L112 L116 L122 T127 I130 M131 I219 M220 Y221L112-L223 HydrophobicContact CD1-CD2 4.22Å; L112-L223 HydrophobicContact CD2-CD1 4.39Å; L112-L223 HydrophobicContact CD2-CD2 3.98Å; L112-L223 HydrophobicContact CG-CD2 4.07Å; L116-L223 HydrophobicContact CD1-CD2 4.42Å; L116-L223 HydrophobicContact CD2-CD2 4.28Å; L122-L223 HydrophobicContact CD1-CB 4.29Å; L122-L223 HydrophobicContact CD1-CD2 3.87Å; L122-L223 HydrophobicContact CD1-CG 4.44Å; L122-L223 PolarHBondContact N-O 2.83Å; T127-L223 HydrophobicContact CG2-CB 4.38Å; T127-L223 HydrophobicContact CG2-CD1 4.42Å; I130-L223 HydrophobicContact CG2-CD1 3.88Å; M131-L223 HydrophobicContact SD-CD1 4.08Å; I219-L223 HydrophobicContact CG2-CD1 3.94Å; I219-L223 HydrophobicContact CG2-CG 4.16Å; I219-L223 WeakPolarHBondContact O-CG 3.49Å; I219-L223 PolarHBondContact O-N 3.26Å; M220-L223 PolarHBondContact O-N 2.87Å; Y221-L223 PolarHBondContact O-N 2.73Å
224L95.9Very high95.6Very high1 Ų138.1 Ų38.11%0.00518%0.181CC..Hα-helixtrans-84.2-48-178.6-66.6163.8000111.9T121 E124 T127 M220 Y221 T222 W254 Y257 V261 V265T121-L224 WeakPolarHBondContact CG2-O 3.46Å; E124-L224 HydrophobicContact CG-CD2 4.39Å; T127-L224 HydrophobicContact CG2-CD1 4.4Å; T127-L224 HydrophobicContact CG2-CD2 4.06Å; T127-L224 HydrophobicContact CG2-CG 4.06Å; M220-L224 HydrophobicContact CE-CD1 4.37Å; M220-L224 HydrophobicContact CG-CD1 4.27Å; M220-L224 WeakPolarHBondContact O-CD1 3.32Å; M220-L224 WeakPolarHBondContact O-CG 3.34Å; M220-L224 PolarHBondContact O-N 3.42Å; Y221-L224 PolarHBondContact O-N 2.93Å; T222-L224 VanDerWaalsContact C-N 3.28Å; T222-L224 PolarHBondContact O-N 3.18Å; L224-W254 HydrophobicContact CB-CH2 3.94Å; L224-W254 HydrophobicContact CB-CZ2 4.41Å; L224-W254 HydrophobicContact CB-CZ3 4.35Å; L224-W254 HydrophobicContact CD1-CH2 3.89Å; L224-W254 HydrophobicContact CD1-CZ3 4.03Å; L224-Y257 HydrophobicContact CB-CD2 4.42Å; L224-Y257 HydrophobicContact CB-CE2 3.96Å; L224-Y257 HydrophobicContact CD2-CD1 4Å; L224-Y257 HydrophobicContact CD2-CE1 3.62Å; L224-Y257 VanDerWaalsContact O-CE2 3.32Å; L224-Y257 WeakPolarHBondContact O-CE2 3.33Å; L224-Y257 PolarHBondContact O-OH 2.96Å; L224-V261 HydrophobicContact CD1-CG1 4.28Å; L224-V261 HydrophobicContact CD1-CG2 3.49Å; L224-V261 VanDerWaalsContact CD1-CG2 3.49Å; L224-V261 HydrophobicContact CD2-CG2 4.48Å; L224-V265 HydrophobicContact CD1-CG2 4.5Å
225A92.2Very high95.3Very high8 Ų843.7 Ų43.77%0.06621%0.206CC..Hα-helixtrans-84.7-14.8-175.300000113.8Y221 S227 W254Y221-A225 HydrophobicContact CD1-CB 3.96Å; Y221-A225 HydrophobicContact CE1-CB 3.58Å; Y221-A225 WeakPolarHBondContact O-CB 3.47Å; Y221-A225 PolarHBondContact O-N 2.89Å; A225-S227 PolarHBondContact O-N 2.91Å; A225-S227 VanDerWaalsContact O-N 3.14Å; A225-W254 HydrophobicContact CB-CZ2 3.85Å
226G90.2Very high95Very high35 Ų3549.3 Ų49.336%0.36123%0.234SC..SBendtrans69.43.4-172.600000113.9V120 T222V120-G226 WeakPolarHBondContact O-CA 3.3Å; T222-G226 VanDerWaalsContact O-CA 3.26Å; T222-G226 WeakPolarHBondContact O-CA 3.32Å; T222-G226 PolarHBondContact O-N 3.19Å
227S90.3Very high94.9Very high56 Ų5652.2 Ų52.239%0.39225%0.249SC..SBendtrans-145.6149.9-179.858.50000110.3Y221 A225Y221-S227 VanDerWaalsContact CD1-O 3.28Å; Y221-S227 WeakPolarHBondContact CD1-O 3.49Å; Y221-S227 VanDerWaalsContact CE1-O 3.29Å; Y221-S227 WeakPolarHBondContact CE1-O 3.28Å; A225-S227 PolarHBondContact O-N 2.91Å; A225-S227 VanDerWaalsContact O-N 3.14Å
228P94.1Very high94.8Very high40 Ų4053.2 Ų53.226%0.2625%0.254SS..  trans-71.9149.7-178.227.3-33.2000112.2T222 F230 W231T222-P228 WeakPolarHBondContact OG1-CA 3.29Å; P228-F230 VanDerWaalsContact C-N 3.26Å; P228-F230 PolarHBondContact O-N 3.32Å; P228-W231 HydrophobicContact CG-CB 4.14Å; P228-W231 HydrophobicContact CG-CG 4.5Å
229P96.5Very high94.6Very high10 Ų1054.2 Ų54.27%0.06526%0.259CS..SBendtrans-65.6-28.9-179.623.9-30.9000113.2V218 Y221 Y247 L269V218-P229 HydrophobicContact CB-CG 4.38Å; V218-P229 HydrophobicContact CG1-CG 4.06Å; V218-P229 HydrophobicContact CG2-CG 4.23Å; Y221-P229 HydrophobicContact CD1-CB 3.72Å; Y221-P229 VanDerWaalsContact CD1-CD 3.43Å; Y221-P229 HydrophobicContact CD1-CG 4Å; Y221-P229 HydrophobicContact CD2-CB 3.8Å; Y221-P229 HydrophobicContact CD2-CG 4.46Å; Y221-P229 HydrophobicContact CE1-CB 3.9Å; Y221-P229 HydrophobicContact CE2-CB 3.99Å; Y221-P229 HydrophobicContact CG-CB 3.69Å; Y221-P229 HydrophobicContact CG-CG 3.94Å; P229-Y247 HydrophobicContact CB-CG 4.38Å; P229-L269 HydrophobicContact CB-CD1 4.2Å; P229-L269 HydrophobicContact CG-CD1 4.17Å
230F96.5Very high94.5Very high1 Ų162.1 Ų62.10%0.00429%0.289CS..SBendtrans-120.5107.4-179.8-46.2-71.7000109.1W214 V218 P228 M238 M241 I242 Y247 L269W214-F230 AromaticContact CE2-CE2 3.99Å; W214-F230 HydrophobicContact CH2-CE2 4.02Å; W214-F230 AromaticContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CH2-CZ 3.75Å; W214-F230 HydrophobicContact CZ2-CD2 4.19Å; W214-F230 AromaticContact CZ2-CE2 3.3Å; W214-F230 HydrophobicContact CZ2-CE2 3.3Å; W214-F230 AromaticContact CZ2-CZ 3.51Å; W214-F230 HydrophobicContact CZ2-CZ 3.51Å; V218-F230 HydrophobicContact CG2-CD2 4.44Å; V218-F230 HydrophobicContact CG2-CE2 4.24Å; P228-F230 VanDerWaalsContact C-N 3.26Å; P228-F230 PolarHBondContact O-N 3.32Å; F230-M238 HydrophobicContact CB-CG 4.42Å; F230-M241 HydrophobicContact CB-CB 4.48Å; F230-M241 HydrophobicContact CD1-CB 4.07Å; F230-I242 HydrophobicContact CB-CD1 4.4Å; F230-I242 HydrophobicContact CB-CG1 3.67Å; F230-I242 HydrophobicContact CD1-CG1 4.31Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.65Å; F230-Y247 AromaticContact CE1-CD1 3.98Å; F230-Y247 HydrophobicContact CE1-CD1 3.98Å; F230-Y247 HydrophobicContact CE1-CG 4.34Å; F230-Y247 AromaticContact CZ-CD1 3.84Å; F230-Y247 HydrophobicContact CZ-CD1 3.84Å; F230-Y247 HydrophobicContact CZ-CG 4.35Å; F230-L269 HydrophobicContact CE2-CD1 4.45Å; F230-L269 HydrophobicContact CE2-CD2 4.23Å; F230-L269 HydrophobicContact CZ-CD1 4.43Å
231W92.5Very high94.4Very high171 Ų17164.5 Ų64.565%0.64830%0.3SS*.  trans-144135.5177.1-17188.2000112P228P228-W231 HydrophobicContact CG-CB 4.14Å; P228-W231 HydrophobicContact CG-CG 4.5Å
232H92.4Very high94.4Very high68 Ų6863.6 Ų63.632%0.31530%0.297SS..  trans-156.6143.8169.6-167.3-86.3000109.7K234 L237 M238 M241H232-K234 PolarHBondContact ND1-N 2.82Å; H232-K234 PolarHBondContact ND1-O 2.71Å; H232-K234 PolarHBondContact O-N 3.31Å; H232-K234 VanDerWaalsContact O-N 3.14Å; H232-L237 HydrophobicContact CB-CB 4.14Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.42Å; H232-M238 HydrophobicContact CB-CB 4.21Å; H232-M241 HydrophobicContact CB-SD 4.37Å
233R90.8Very high94.4Very high234 Ų23465.7 Ų65.788%0.88331%0.307SS*.SBendtrans-56.6-31.8178.4-175.7177.7178.6-174.91.4113.6
234K92.5Very high94.4Very high144 Ų14469.3 Ų69.363%0.62633%0.332SS*.SBendtrans-94.7114.8172.9-60.8-176.4179.4179.10109.6H232 M236 L237 M238H232-K234 PolarHBondContact ND1-N 2.82Å; H232-K234 PolarHBondContact ND1-O 2.71Å; H232-K234 PolarHBondContact O-N 3.31Å; H232-K234 VanDerWaalsContact O-N 3.14Å; K234-M236 VanDerWaalsContact C-N 3.31Å; K234-M236 PolarHBondContact O-N 3.2Å; K234-L237 HydrophobicContact CB-CB 4.46Å; K234-L237 HydrophobicContact CB-CD1 4.22Å; K234-L237 HydrophobicContact CB-CG 4.27Å; K234-L237 HydrophobicContact CD-CD1 4.13Å; K234-L237 PolarHBondContact O-N 3.35Å; K234-M238 PolarHBondContact O-N 2.88Å
235Q92.9Very high94.4Very high116 Ų11670.1 Ų70.154%0.54234%0.341SS..Hα-helixtrans-52.6-44-178.8-176175.2-39.400112.9L237 M238 L239Q235-L237 PolarHBondContact O-N 3.36Å; Q235-L237 VanDerWaalsContact O-N 3.15Å; Q235-M238 WeakPolarHBondContact O-CA 3.39Å; Q235-M238 WeakPolarHBondContact O-CB 3.36Å; Q235-M238 PolarHBondContact O-N 3.49Å; Q235-L239 HydrophobicContact CG-CD1 4.28Å; Q235-L239 HydrophobicContact CG-CG 4.32Å; Q235-L239 WeakPolarHBondContact O-CG 3.42Å; Q235-L239 PolarHBondContact O-N 3.18Å
236M93.3Very high94.5Very high123 Ų12374.6 Ų74.661%0.60636%0.363SS*.Hα-helixtrans-59.4-29.1178.3-73-63.7-87.600114K234 L239 R240K234-M236 VanDerWaalsContact C-N 3.31Å; K234-M236 PolarHBondContact O-N 3.2Å; M236-L239 HydrophobicContact SD-CD1 4.24Å; M236-R240 WeakPolarHBondContact O-CG 3.26Å; M236-R240 PolarHBondContact O-N 3.33Å
237L95.3Very high94.7Very high61 Ų6175.2 Ų75.232%0.31936%0.355SS..Hα-helixtrans-79.4-36.1175.5-66.1179.3000111.4H232 K234 Q235 R240 M241H232-L237 HydrophobicContact CB-CB 4.14Å; H232-L237 WeakPolarHBondContact CE1-CD1 3.42Å; K234-L237 HydrophobicContact CB-CB 4.46Å; K234-L237 HydrophobicContact CB-CD1 4.22Å; K234-L237 HydrophobicContact CB-CG 4.27Å; K234-L237 HydrophobicContact CD-CD1 4.13Å; K234-L237 PolarHBondContact O-N 3.35Å; Q235-L237 PolarHBondContact O-N 3.36Å; Q235-L237 VanDerWaalsContact O-N 3.15Å; L237-R240 PolarHBondContact O-N 3.45Å; L237-M241 WeakPolarHBondContact O-CG 3.48Å; L237-M241 PolarHBondContact O-N 3.25Å
238M96.1Very high94.9Very high22 Ų2279.3 Ų79.311%0.10837%0.368CS..Hα-helixtrans-60-46.7171.1-177.8-162.7-61.300111F230 H232 K234 Q235 R240 M241 I242F230-M238 HydrophobicContact CB-CG 4.42Å; H232-M238 HydrophobicContact CB-CB 4.21Å; K234-M238 PolarHBondContact O-N 2.88Å; Q235-M238 WeakPolarHBondContact O-CA 3.39Å; Q235-M238 WeakPolarHBondContact O-CB 3.36Å; Q235-M238 PolarHBondContact O-N 3.49Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 2.86Å; M238-M241 WeakPolarHBondContact O-CB 3.47Å; M238-M241 PolarHBondContact O-N 3.17Å; M238-I242 HydrophobicContact CG-CD1 4.32Å; M238-I242 WeakPolarHBondContact O-CG1 3.43Å; M238-I242 PolarHBondContact O-N 3.37Å
239L95.4Very high94.8Very high21 Ų2180.6 Ų80.611%0.1137%0.37CS..Hα-helixtrans-60.1-38.8176.6-63.5177.1000111.8I196 Q235 M236 M241 I242 M243I196-L239 HydrophobicContact CD1-CB 4.39Å; I196-L239 HydrophobicContact CD1-CD2 3.68Å; I196-L239 HydrophobicContact CG1-CD2 4.23Å; Q235-L239 HydrophobicContact CG-CD1 4.28Å; Q235-L239 HydrophobicContact CG-CG 4.32Å; Q235-L239 WeakPolarHBondContact O-CG 3.42Å; Q235-L239 PolarHBondContact O-N 3.18Å; M236-L239 HydrophobicContact SD-CD1 4.24Å; L239-M241 PolarHBondContact O-N 2.85Å; L239-I242 HydrophobicContact CD2-CD1 4.38Å; L239-I242 WeakPolarHBondContact O-CB 3.34Å; L239-I242 PolarHBondContact O-N 2.67Å; L239-M243 VanDerWaalsContact O-CG 3.31Å; L239-M243 WeakPolarHBondContact O-CG 3.42Å; L239-M243 PolarHBondContact O-N 3.36Å
240R96.2Very high94.2Very high166 Ų16681 Ų8163%0.62638%0.376SS*.Hα-helixtrans-64.5-36.8173.2-74.9177.7-178-176.3-1113M236 L237 M238 S244M236-R240 WeakPolarHBondContact O-CG 3.26Å; M236-R240 PolarHBondContact O-N 3.33Å; L237-R240 PolarHBondContact O-N 3.45Å; M238-R240 VanDerWaalsContact C-N 3.3Å; M238-R240 PolarHBondContact O-N 2.86Å; R240-S244 WeakPolarHBondContact O-CB 3.36Å; R240-S244 PolarHBondContact O-N 2.93Å; R240-S244 PolarHBondContact O-OG 3.36Å
241M97.4Very high93.1Very high49 Ų4985.1 Ų85.124%0.24141%0.405CS..Hα-helixtrans-64.7-42.5174.5-66.6171.668.800111.1F230 H232 L237 M238 L239 S244 G245 N246F230-M241 HydrophobicContact CB-CB 4.48Å; F230-M241 HydrophobicContact CD1-CB 4.07Å; H232-M241 HydrophobicContact CB-SD 4.37Å; L237-M241 WeakPolarHBondContact O-CG 3.48Å; L237-M241 PolarHBondContact O-N 3.25Å; M238-M241 WeakPolarHBondContact O-CB 3.47Å; M238-M241 PolarHBondContact O-N 3.17Å; L239-M241 PolarHBondContact O-N 2.85Å; M241-S244 PolarHBondContact O-N 3.47Å; M241-S244 PolarHBondContact O-OG 3.3Å; M241-S244 VanDerWaalsContact O-OG 3.12Å; M241-G245 PolarHBondContact O-N 3.07Å; M241-N246 PolarHBondContact O-N 2.91Å
242I97.7Very high92.7Very high0 Ų081.1 Ų81.10%040%0.401CS..Hα-helixtrans-59.3-53.8174.6-67.4168.2000110.1P188 L191 P193 I196 W214 F230 M238 L239 S244 G245P188-I242 WeakPolarHBondContact O-CD1 3.37Å; L191-I242 VanDerWaalsContact O-CG2 3.3Å; L191-I242 WeakPolarHBondContact O-CG2 3.43Å; P193-I242 HydrophobicContact CG-CG2 4.09Å; P193-I242 WeakPolarHBondContact CG-O 3.49Å; I196-I242 HydrophobicContact CD1-CB 3.99Å; I196-I242 HydrophobicContact CD1-CD1 4.35Å; I196-I242 HydrophobicContact CD1-CG2 3.51Å; W214-I242 HydrophobicContact CZ2-CG2 3.8Å; F230-I242 HydrophobicContact CB-CD1 4.4Å; F230-I242 HydrophobicContact CB-CG1 3.67Å; F230-I242 HydrophobicContact CD1-CG1 4.31Å; F230-I242 HydrophobicContact CD2-CG1 3.79Å; F230-I242 HydrophobicContact CG-CG1 3.65Å; M238-I242 HydrophobicContact CG-CD1 4.32Å; M238-I242 WeakPolarHBondContact O-CG1 3.43Å; M238-I242 PolarHBondContact O-N 3.37Å; L239-I242 HydrophobicContact CD2-CD1 4.38Å; L239-I242 WeakPolarHBondContact O-CB 3.34Å; L239-I242 PolarHBondContact O-N 2.67Å; I242-S244 PolarHBondContact O-N 3.06Å; I242-G245 PolarHBondContact O-N 2.97Å
243M96.7Very high92.2Very high54 Ų5482.8 Ų82.827%0.26641%0.409SS..Hα-helixtrans-59.2-32.2-179.2-69.717778.700113.4I196 E197 M200 L239I196-M243 HydrophobicContact CB-CG 4.3Å; I196-M243 HydrophobicContact CD1-CG 4.37Å; I196-M243 HydrophobicContact CG2-CG 3.96Å; I196-M243 HydrophobicContact CG2-SD 3.75Å; E197-M243 HydrophobicContact CG-CE 3.82Å; M200-M243 HydrophobicContact CE-SD 4.13Å; M200-M243 HydrophobicContact SD-CE 4.05Å; M200-M243 HydrophobicContact SD-SD 4.11Å; L239-M243 VanDerWaalsContact O-CG 3.31Å; L239-M243 WeakPolarHBondContact O-CG 3.42Å; L239-M243 PolarHBondContact O-N 3.36Å
244S96.8Very high92Very high76 Ų7671.8 Ų71.853%0.53137%0.368SS..Hα-helixtrans-86.6-6.8176.553.30000113.8R240 M241 I242 N246R240-S244 WeakPolarHBondContact O-CB 3.36Å; R240-S244 PolarHBondContact O-N 2.93Å; R240-S244 PolarHBondContact O-OG 3.36Å; M241-S244 PolarHBondContact O-N 3.47Å; M241-S244 PolarHBondContact O-OG 3.3Å; M241-S244 VanDerWaalsContact O-OG 3.12Å; I242-S244 PolarHBondContact O-N 3.06Å; S244-N246 PolarHBondContact O-N 3.36Å; S244-N246 WeakPolarHBondContact OG-CB 3.49Å
245G96.6Very high91.6Very high18 Ų1869.6 Ų69.619%0.18636%0.362CS..THydrogen-bonded Turntrans58.328.6-172.500000112.9M241 I242 Y247M241-G245 PolarHBondContact O-N 3.07Å; I242-G245 PolarHBondContact O-N 2.97Å; G245-Y247 VanDerWaalsContact O-CD1 3.26Å; G245-Y247 WeakPolarHBondContact O-CD1 3.38Å; G245-Y247 PolarHBondContact O-N 2.98Å
246N93.8Very high91.1Very high101 Ų10171.5 Ų71.554%0.5438%0.377SS..  trans-86.790.2-173.7-173.824.6000111.1M241 S244M241-N246 PolarHBondContact O-N 2.91Å; S244-N246 PolarHBondContact O-N 3.36Å; S244-N246 WeakPolarHBondContact OG-CB 3.49Å
247Y96.1Very high90.8Very high48 Ų4867.1 Ų67.119%0.18835%0.354CS..  trans-127.9163.7169.968.1-81.4000109.5Y221 P229 F230 G245 F249 S266 L269Y221-Y247 HydrophobicContact CD2-CD2 4.34Å; Y221-Y247 HydrophobicContact CE2-CD2 4.11Å; P229-Y247 HydrophobicContact CB-CG 4.38Å; F230-Y247 AromaticContact CE1-CD1 3.98Å; F230-Y247 HydrophobicContact CE1-CD1 3.98Å; F230-Y247 HydrophobicContact CE1-CG 4.34Å; F230-Y247 AromaticContact CZ-CD1 3.84Å; F230-Y247 HydrophobicContact CZ-CD1 3.84Å; F230-Y247 HydrophobicContact CZ-CG 4.35Å; G245-Y247 VanDerWaalsContact O-CD1 3.26Å; G245-Y247 WeakPolarHBondContact O-CD1 3.38Å; G245-Y247 PolarHBondContact O-N 2.98Å; Y247-F249 HydrophobicContact CD2-CZ 4.49Å; Y247-F249 HydrophobicContact CE2-CE1 4.1Å; Y247-F249 HydrophobicContact CE2-CE2 4.01Å; Y247-F249 AromaticContact CE2-CZ 3.67Å; Y247-F249 HydrophobicContact CE2-CZ 3.67Å; Y247-S266 VanDerWaalsContact OH-CA 3.26Å; Y247-S266 WeakPolarHBondContact OH-CA 3.12Å; Y247-S266 WeakPolarHBondContact OH-CB 3.27Å; Y247-L269 HydrophobicContact CD1-CB 4.18Å; Y247-L269 HydrophobicContact CD1-CD1 4.03Å; Y247-L269 HydrophobicContact CD2-CD1 4.15Å; Y247-L269 HydrophobicContact CE1-CB 3.51Å; Y247-L269 HydrophobicContact CE1-CD1 3.99Å; Y247-L269 HydrophobicContact CE1-CG 4.42Å; Y247-L269 HydrophobicContact CE2-CD1 4.11Å; Y247-L269 HydrophobicContact CG-CD1 4.13Å
248Q93.5Very high90.6Very high143 Ų14366.2 Ų66.267%0.66835%0.352SS*.  trans-140.5144.2-177.862.2-178.723.400111.2Y221 G250Y221-Q248 PolarHBondContact OH-O 2.99Å; Q248-G250 VanDerWaalsContact C-N 3.26Å; Q248-G250 PolarHBondContact O-N 3.34Å; Q248-G250 VanDerWaalsContact O-N 3.12Å
249F93.1Very high90.4Very high66 Ų6671.1 Ų71.129%0.28938%0.379SS..  trans-85.572.4168.2-57.5-61.5000109.1Y221 Y247 W254 K262 V265Y221-F249 HydrophobicContact CD2-CE1 4.17Å; Y221-F249 HydrophobicContact CE2-CD1 4.12Å; Y221-F249 HydrophobicContact CE2-CE1 4.18Å; Y247-F249 HydrophobicContact CD2-CZ 4.49Å; Y247-F249 HydrophobicContact CE2-CE1 4.1Å; Y247-F249 HydrophobicContact CE2-CE2 4.01Å; Y247-F249 AromaticContact CE2-CZ 3.67Å; Y247-F249 HydrophobicContact CE2-CZ 3.67Å; F249-W254 HydrophobicContact CB-CB 3.95Å; F249-W254 HydrophobicContact CB-CD2 4.09Å; F249-W254 HydrophobicContact CB-CE3 4.47Å; F249-W254 HydrophobicContact CB-CG 3.84Å; F249-W254 AromaticContact CD1-CD2 3.53Å; F249-W254 HydrophobicContact CD1-CD2 3.53Å; F249-W254 AromaticContact CD1-CE2 3.67Å; F249-W254 AromaticContact CD1-CE3 3.55Å; F249-W254 HydrophobicContact CD1-CE3 3.55Å; F249-W254 HydrophobicContact CD1-CG 4.18Å; F249-W254 AromaticContact CD1-CH2 3.86Å; F249-W254 HydrophobicContact CD1-CH2 3.86Å; F249-W254 AromaticContact CD1-CZ2 3.85Å; F249-W254 HydrophobicContact CD1-CZ2 3.85Å; F249-W254 AromaticContact CD1-CZ3 3.71Å; F249-W254 HydrophobicContact CD1-CZ3 3.71Å; F249-W254 HydrophobicContact CE1-CD2 4.43Å; F249-W254 HydrophobicContact CE1-CE3 4.16Å; F249-W254 AromaticContact CE1-CH2 3.8Å; F249-W254 HydrophobicContact CE1-CH2 3.8Å; F249-W254 HydrophobicContact CE1-CZ2 4.1Å; F249-W254 AromaticContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CG-CD2 4.26Å; F249-W254 HydrophobicContact CG-CE3 4.34Å; F249-K262 HydrophobicContact CB-CD 4.5Å; F249-K262 HydrophobicContact CD1-CG 4.15Å; F249-K262 HydrophobicContact CD2-CB 4.2Å; F249-K262 HydrophobicContact CD2-CG 4.27Å; F249-K262 HydrophobicContact CE1-CB 4.37Å; F249-K262 HydrophobicContact CE1-CG 4.3Å; F249-K262 HydrophobicContact CE2-CB 3.95Å; F249-K262 HydrophobicContact CE2-CG 4.42Å; F249-K262 HydrophobicContact CG-CD 4.41Å; F249-K262 HydrophobicContact CG-CG 4.11Å; F249-K262 HydrophobicContact CZ-CB 4.02Å; F249-K262 HydrophobicContact CZ-CG 4.43Å; F249-K262 WeakPolarHBondContact CZ-O 3.4Å; F249-V265 HydrophobicContact CE1-CB 4.16Å; F249-V265 HydrophobicContact CE1-CG1 3.89Å; F249-V265 HydrophobicContact CZ-CB 4.07Å; F249-V265 HydrophobicContact CZ-CG1 3.97Å
250G82.7Confident90.4Very high20 Ų2071.8 Ų71.821%0.20638%0.384CS..  trans-74.4148.7-173.600000114Q248 E253 W254Q248-G250 VanDerWaalsContact C-N 3.26Å; Q248-G250 PolarHBondContact O-N 3.34Å; Q248-G250 VanDerWaalsContact O-N 3.12Å; G250-E253 PolarHBondContact O-N 3.12Å; G250-W254 WeakPolarHBondContact O-CB 3.2Å; G250-W254 PolarHBondContact O-N 3.3Å; G250-W254 VanDerWaalsContact O-N 3.12Å
251S73.4Confident90.4Very high86 Ų8663.9 Ų63.960%0.60135%0.354SS*.THydrogen-bonded Turntrans-78.6148.1168-54.30000110.7D255S251-D255 WeakPolarHBondContact CB-OD1 3.16Å; S251-D255 WeakPolarHBondContact CB-OD2 3.19Å; S251-D255 PolarHBondContact OG-OD1 3.15Å; S251-D255 PolarHBondContact OG-OD2 3.33Å
252P83.6Confident90.4Very high87 Ų8763.3 Ų63.357%0.56535%0.35SS*.THydrogen-bonded Turncis-87.7-11.13.634.5-36.8000115.1W254 D255P252-W254 PolarHBondContact O-N 3.42Å; P252-W254 VanDerWaalsContact O-N 3.17Å; P252-D255 PolarHBondContact O-N 2.99Å
253E82.4Confident90.4Very high104 Ų10466 Ų6649%0.48636%0.364SS..THydrogen-bonded Turntrans-62.6-30-167.5-63.874.9-163.700113.4G250 Y257G250-E253 PolarHBondContact O-N 3.12Å; E253-Y257 WeakPolarHBondContact O-CD2 3.24Å; E253-Y257 VanDerWaalsContact O-CE2 3.27Å; E253-Y257 WeakPolarHBondContact O-CE2 3.33Å
254W87.4Confident90.5Very high3 Ų363.4 Ų63.41%0.01135%0.352CS..THydrogen-bonded Turntrans-101.10.3-176.6-71.790.9000115.2Y221 L224 A225 F249 G250 P252 D256 Y257 V261 K262 V265Y221-W254 HydrophobicContact CD1-CZ2 4.09Å; Y221-W254 AromaticContact CD2-CH2 3.97Å; Y221-W254 HydrophobicContact CD2-CH2 3.97Å; Y221-W254 AromaticContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CD2-CZ2 3.38Å; Y221-W254 HydrophobicContact CE1-CZ2 4.08Å; Y221-W254 AromaticContact CE2-CE2 3.75Å; Y221-W254 HydrophobicContact CE2-CH2 4.28Å; Y221-W254 AromaticContact CE2-CZ2 3.35Å; Y221-W254 HydrophobicContact CE2-CZ2 3.35Å; Y221-W254 AromaticContact CE2-NE1 3.79Å; Y221-W254 HydrophobicContact CG-CH2 4.35Å; Y221-W254 AromaticContact CG-CZ2 3.75Å; Y221-W254 HydrophobicContact CG-CZ2 3.75Å; Y221-W254 AromaticContact CZ-CE2 3.88Å; Y221-W254 AromaticContact CZ-CZ2 3.71Å; Y221-W254 AromaticContact CZ-NE1 3.51Å; Y221-W254 PolarHBondContact OH-NE1 2.64Å; L224-W254 HydrophobicContact CB-CH2 3.94Å; L224-W254 HydrophobicContact CB-CZ2 4.41Å; L224-W254 HydrophobicContact CB-CZ3 4.35Å; L224-W254 HydrophobicContact CD1-CH2 3.89Å; L224-W254 HydrophobicContact CD1-CZ3 4.03Å; A225-W254 HydrophobicContact CB-CZ2 3.85Å; F249-W254 HydrophobicContact CB-CB 3.95Å; F249-W254 HydrophobicContact CB-CD2 4.09Å; F249-W254 HydrophobicContact CB-CE3 4.47Å; F249-W254 HydrophobicContact CB-CG 3.84Å; F249-W254 AromaticContact CD1-CD2 3.53Å; F249-W254 HydrophobicContact CD1-CD2 3.53Å; F249-W254 AromaticContact CD1-CE2 3.67Å; F249-W254 AromaticContact CD1-CE3 3.55Å; F249-W254 HydrophobicContact CD1-CE3 3.55Å; F249-W254 HydrophobicContact CD1-CG 4.18Å; F249-W254 AromaticContact CD1-CH2 3.86Å; F249-W254 HydrophobicContact CD1-CH2 3.86Å; F249-W254 AromaticContact CD1-CZ2 3.85Å; F249-W254 HydrophobicContact CD1-CZ2 3.85Å; F249-W254 AromaticContact CD1-CZ3 3.71Å; F249-W254 HydrophobicContact CD1-CZ3 3.71Å; F249-W254 HydrophobicContact CE1-CD2 4.43Å; F249-W254 HydrophobicContact CE1-CE3 4.16Å; F249-W254 AromaticContact CE1-CH2 3.8Å; F249-W254 HydrophobicContact CE1-CH2 3.8Å; F249-W254 HydrophobicContact CE1-CZ2 4.1Å; F249-W254 AromaticContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CE1-CZ3 3.83Å; F249-W254 HydrophobicContact CG-CD2 4.26Å; F249-W254 HydrophobicContact CG-CE3 4.34Å; G250-W254 WeakPolarHBondContact O-CB 3.2Å; G250-W254 PolarHBondContact O-N 3.3Å; G250-W254 VanDerWaalsContact O-N 3.12Å; P252-W254 PolarHBondContact O-N 3.42Å; P252-W254 VanDerWaalsContact O-N 3.17Å; W254-D256 VanDerWaalsContact C-N 3.31Å; W254-D256 PolarHBondContact O-N 2.98Å; W254-Y257 HydrophobicContact CD2-CD2 4.23Å; W254-Y257 AromaticContact CE3-CD2 3.8Å; W254-Y257 HydrophobicContact CE3-CD2 3.8Å; W254-Y257 HydrophobicContact CE3-CG 4.33Å; W254-Y257 HydrophobicContact CZ3-CD2 4.27Å; W254-Y257 PolarHBondContact O-N 3.36Å; W254-V261 HydrophobicContact CZ3-CG1 4.48Å; W254-K262 HydrophobicContact CE3-CG 3.9Å; W254-K262 HydrophobicContact CZ3-CG 4.11Å; W254-K262 WeakPolarHBondContact O-CE 3.26Å; W254-K262 PolarHBondContact O-NZ 3.03Å; W254-V265 HydrophobicContact CH2-CG2 4.5Å
255D82.5Confident90.6Very high97 Ų9759.8 Ų59.852%0.51933%0.327SS..THydrogen-bonded Turntrans-67.4-33.9-175.1-69.9-13.2000112.1S251 P252S251-D255 WeakPolarHBondContact CB-OD1 3.16Å; S251-D255 WeakPolarHBondContact CB-OD2 3.19Å; S251-D255 PolarHBondContact OG-OD1 3.15Å; S251-D255 PolarHBondContact OG-OD2 3.33Å; P252-D255 PolarHBondContact O-N 2.99Å
256D82.9Confident90.7Very high157 Ų15760.7 Ų60.784%0.8433%0.33SS*.THydrogen-bonded Turntrans-88.2-6.8-176.1-68.4-37.7000114.2W254W254-D256 VanDerWaalsContact C-N 3.31Å; W254-D256 PolarHBondContact O-N 2.98Å
257Y86.9Confident90.9Very high31 Ų3160.8 Ų60.812%0.12232%0.323CS..SBendtrans-93140-179-68-54.6000112.6L122 E124 L224 E253 W254 V261 K262L122-Y257 PolarHBondContact O-OH 3.38Å; E124-Y257 HydrophobicContact CG-CD1 3.73Å; E124-Y257 HydrophobicContact CG-CE1 4.2Å; L224-Y257 HydrophobicContact CB-CD2 4.42Å; L224-Y257 HydrophobicContact CB-CE2 3.96Å; L224-Y257 HydrophobicContact CD2-CD1 4Å; L224-Y257 HydrophobicContact CD2-CE1 3.62Å; L224-Y257 VanDerWaalsContact O-CE2 3.32Å; L224-Y257 WeakPolarHBondContact O-CE2 3.33Å; L224-Y257 PolarHBondContact O-OH 2.96Å; E253-Y257 WeakPolarHBondContact O-CD2 3.24Å; E253-Y257 VanDerWaalsContact O-CE2 3.27Å; E253-Y257 WeakPolarHBondContact O-CE2 3.33Å; W254-Y257 HydrophobicContact CD2-CD2 4.23Å; W254-Y257 AromaticContact CE3-CD2 3.8Å; W254-Y257 HydrophobicContact CE3-CD2 3.8Å; W254-Y257 HydrophobicContact CE3-CG 4.33Å; W254-Y257 HydrophobicContact CZ3-CD2 4.27Å; W254-Y257 PolarHBondContact O-N 3.36Å; Y257-V261 HydrophobicContact CG-CG1 4.41Å; Y257-K262 WeakPolarHBondContact O-CE 3.3Å; Y257-K262 PolarHBondContact O-NZ 2.91Å
258S90.6Very high91Very high41 Ų4158.5 Ų58.529%0.28731%0.314SS..  trans-65152.2-177.364.40000113E124 T260 V261 K262E124-S258 VanDerWaalsContact OE1-CB 3.28Å; E124-S258 WeakPolarHBondContact OE1-CB 3.49Å; E124-S258 PolarHBondContact OE1-N 3.36Å; E124-S258 PolarHBondContact OE1-OG 2.96Å; E124-S258 PolarHBondContact OE2-OG 3.36Å; S258-T260 PolarHBondContact O-N 3.45Å; S258-V261 WeakPolarHBondContact O-CG1 3.42Å; S258-V261 PolarHBondContact O-N 3.33Å; S258-V261 PolarHBondContact OG-N 3.48Å; S258-K262 PolarHBondContact O-N 3.11Å
259D92.9Very high91.3Very high126 Ų12652 Ų5267%0.67428%0.284SS*.Hα-helixtrans-62.2-24.8172.2-63.8-33.7000111.9K262 D263D259-K262 PolarHBondContact O-N 2.93Å; D259-D263 WeakPolarHBondContact O-CB 3.22Å; D259-D263 PolarHBondContact O-N 3.04Å
260T95.3Very high91.5Very high35 Ų3550.6 Ų50.622%0.21528%0.28CS..Hα-helixtrans-64.1-41.3175.7-500000112.5S258 L264 H285 P286 F287S258-T260 PolarHBondContact O-N 3.45Å; T260-L264 PolarHBondContact O-N 2.94Å; T260-H285 PolarHBondContact O-CE1 3.09Å; T260-P286 HydrophobicContact CG2-CB 4.21Å; T260-F287 HydrophobicContact CG2-CB 4.1Å
261V95.9Very high92.3Very high0 Ų051.7 Ų51.70%028%0.283CS..Hα-helixtrans-74.4-36.9179.181.90000111.3E124 M220 L224 W254 Y257 S258 L264 V265 F287E124-V261 HydrophobicContact CG-CG1 4.43Å; M220-V261 HydrophobicContact CE-CG2 3.27Å; L224-V261 HydrophobicContact CD1-CG1 4.28Å; L224-V261 HydrophobicContact CD1-CG2 3.49Å; L224-V261 VanDerWaalsContact CD1-CG2 3.49Å; L224-V261 HydrophobicContact CD2-CG2 4.48Å; W254-V261 HydrophobicContact CZ3-CG1 4.48Å; Y257-V261 HydrophobicContact CG-CG1 4.41Å; S258-V261 WeakPolarHBondContact O-CG1 3.42Å; S258-V261 PolarHBondContact O-N 3.33Å; S258-V261 PolarHBondContact OG-N 3.48Å; V261-L264 PolarHBondContact O-N 3.23Å; V261-V265 WeakPolarHBondContact O-CG2 3.3Å; V261-V265 PolarHBondContact O-N 3.47Å; V261-V265 VanDerWaalsContact O-N 3.07Å; V261-F287 HydrophobicContact CB-CD2 4.05Å; V261-F287 HydrophobicContact CB-CE2 3.87Å; V261-F287 HydrophobicContact CG2-CD2 3.96Å; V261-F287 HydrophobicContact CG2-CE2 3.47Å; V261-F287 VanDerWaalsContact CG2-CE2 3.47Å; V261-F287 HydrophobicContact CG2-CZ 3.86Å
262K97.5Very high93.4Very high37 Ų3752.3 Ų52.316%0.16128%0.276CS..Hα-helixtrans-62.9-43174.2-66.7168.5-178.9160.60111.6F249 W254 Y257 S258 D259 V265 S266F249-K262 HydrophobicContact CB-CD 4.5Å; F249-K262 HydrophobicContact CD1-CG 4.15Å; F249-K262 HydrophobicContact CD2-CB 4.2Å; F249-K262 HydrophobicContact CD2-CG 4.27Å; F249-K262 HydrophobicContact CE1-CB 4.37Å; F249-K262 HydrophobicContact CE1-CG 4.3Å; F249-K262 HydrophobicContact CE2-CB 3.95Å; F249-K262 HydrophobicContact CE2-CG 4.42Å; F249-K262 HydrophobicContact CG-CD 4.41Å; F249-K262 HydrophobicContact CG-CG 4.11Å; F249-K262 HydrophobicContact CZ-CB 4.02Å; F249-K262 HydrophobicContact CZ-CG 4.43Å; F249-K262 WeakPolarHBondContact CZ-O 3.4Å; W254-K262 HydrophobicContact CE3-CG 3.9Å; W254-K262 HydrophobicContact CZ3-CG 4.11Å; W254-K262 WeakPolarHBondContact O-CE 3.26Å; W254-K262 PolarHBondContact O-NZ 3.03Å; Y257-K262 WeakPolarHBondContact O-CE 3.3Å; Y257-K262 PolarHBondContact O-NZ 2.91Å; S258-K262 PolarHBondContact O-N 3.11Å; D259-K262 PolarHBondContact O-N 2.93Å; K262-V265 PolarHBondContact O-N 3.15Å; K262-S266 WeakPolarHBondContact O-CB 3.33Å; K262-S266 PolarHBondContact O-N 2.71Å
263D98.2Very high94Very high56 Ų5649.4 Ų49.430%0.29926%0.257SS..Hα-helixtrans-58.6-50.7174.6-174.376.1000110.4D259 V265 S266 R267 H285D259-D263 WeakPolarHBondContact O-CB 3.22Å; D259-D263 PolarHBondContact O-N 3.04Å; D263-V265 PolarHBondContact O-N 3.22Å; D263-S266 CarbonylContact O-C 3.56Å; D263-S266 WeakPolarHBondContact O-CA 3.39Å; D263-S266 WeakPolarHBondContact O-CB 3.11Å; D263-S266 PolarHBondContact O-N 3.08Å; D263-S266 PolarHBondContact O-OG 3.09Å; D263-R267 WeakPolarHBondContact O-CG 3.34Å; D263-R267 PolarHBondContact O-N 3.08Å; D263-R267 IonicContact OD1-NE 2.94Å; D263-R267 IonicContact OD1-NH2 3.81Å; D263-R267 IonicContact OD2-NE 3.76Å; D263-H285 IonicContact OD2-CD2 2.7Å; D263-H285 IonicContact OD2-NE2 2.74Å; D263-H285 PolarHBondContact OD2-NE2 2.93Å; D263-H285 VanDerWaalsContact OD2-NE2 3.07Å
264L98.4Very high94.7Very high0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-58.5-45179.6-177.453.6000112.9M220 T260 V261 S266 R267 F268 Y277 A282 H285 F287 F288M220-L264 HydrophobicContact CE-CB 4.37Å; M220-L264 HydrophobicContact CE-CD2 3.81Å; M220-L264 HydrophobicContact CE-CG 4.21Å; M220-L264 HydrophobicContact SD-CD2 3.95Å; M220-L264 HydrophobicContact SD-CG 4.05Å; T260-L264 PolarHBondContact O-N 2.94Å; V261-L264 PolarHBondContact O-N 3.23Å; L264-S266 PolarHBondContact O-N 3.16Å; L264-R267 WeakPolarHBondContact O-CB 3.4Å; L264-R267 PolarHBondContact O-N 3.04Å; L264-R267 VanDerWaalsContact O-N 3.12Å; L264-F268 HydrophobicContact CD1-CD2 4.37Å; L264-F268 HydrophobicContact CD1-CE1 4.5Å; L264-F268 HydrophobicContact CD1-CE2 3.7Å; L264-F268 HydrophobicContact CD1-CZ 3.78Å; L264-F268 HydrophobicContact CD2-CE2 4.21Å; L264-F268 HydrophobicContact CG-CD2 4.27Å; L264-F268 HydrophobicContact CG-CE2 3.62Å; L264-F268 HydrophobicContact CG-CZ 4.17Å; L264-F268 WeakPolarHBondContact O-CD2 3.28Å; L264-F268 PolarHBondContact O-N 3.4Å; L264-Y277 HydrophobicContact CD1-CD2 4.24Å; L264-Y277 HydrophobicContact CD1-CE2 4.48Å; L264-A282 HydrophobicContact CD1-CB 4.38Å; L264-H285 HydrophobicContact CD1-CB 4Å; L264-F287 HydrophobicContact CD2-CB 3.74Å; L264-F287 HydrophobicContact CD2-CD1 3.52Å; L264-F287 HydrophobicContact CD2-CE1 4.38Å; L264-F287 HydrophobicContact CD2-CG 3.87Å; L264-F288 HydrophobicContact CD2-CD2 4.25Å; L264-F288 HydrophobicContact CD2-CE2 3.49Å; L264-F288 VanDerWaalsContact CD2-CE2 3.49Å; L264-F288 HydrophobicContact CD2-CZ 3.99Å
265V98.6Very high95.2Very high0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-58.5-41.2175172.30000110.7M220 Y221 L224 F249 W254 V261 K262 D263 R267 F268 L269M220-V265 HydrophobicContact CB-CG2 4.32Å; M220-V265 HydrophobicContact CE-CG2 4.17Å; M220-V265 HydrophobicContact CG-CG2 3.88Å; M220-V265 HydrophobicContact SD-CG2 3.92Å; Y221-V265 HydrophobicContact CD2-CG1 4.06Å; L224-V265 HydrophobicContact CD1-CG2 4.5Å; F249-V265 HydrophobicContact CE1-CB 4.16Å; F249-V265 HydrophobicContact CE1-CG1 3.89Å; F249-V265 HydrophobicContact CZ-CB 4.07Å; F249-V265 HydrophobicContact CZ-CG1 3.97Å; W254-V265 HydrophobicContact CH2-CG2 4.5Å; V261-V265 WeakPolarHBondContact O-CG2 3.3Å; V261-V265 PolarHBondContact O-N 3.47Å; V261-V265 VanDerWaalsContact O-N 3.07Å; K262-V265 PolarHBondContact O-N 3.15Å; D263-V265 PolarHBondContact O-N 3.22Å; V265-R267 VanDerWaalsContact C-N 3.26Å; V265-R267 PolarHBondContact O-N 3.07Å; V265-F268 PolarHBondContact O-N 3.44Å; V265-F268 VanDerWaalsContact O-N 3.15Å; V265-L269 HydrophobicContact CG1-CD1 3.84Å; V265-L269 HydrophobicContact CG1-CG 4.33Å; V265-L269 PolarHBondContact O-N 3.48Å
266S98.4Very high95.9Very high37 Ų3751.7 Ų51.726%0.25927%0.268SS..Hα-helixtrans-66.9-24.5178.480.40000114.6Y247 K262 D263 L264 V270Y247-S266 VanDerWaalsContact OH-CA 3.26Å; Y247-S266 WeakPolarHBondContact OH-CA 3.12Å; Y247-S266 WeakPolarHBondContact OH-CB 3.27Å; K262-S266 WeakPolarHBondContact O-CB 3.33Å; K262-S266 PolarHBondContact O-N 2.71Å; D263-S266 CarbonylContact O-C 3.56Å; D263-S266 WeakPolarHBondContact O-CA 3.39Å; D263-S266 WeakPolarHBondContact O-CB 3.11Å; D263-S266 PolarHBondContact O-N 3.08Å; D263-S266 PolarHBondContact O-OG 3.09Å; L264-S266 PolarHBondContact O-N 3.16Å; S266-V270 WeakPolarHBondContact O-CG2 3.32Å
267R98.5Very high96.7Very high103 Ų10346.6 Ų46.639%0.38924%0.238SC..Hα-helixtrans-78-23.1173.9-60.6-64.2-177.9170.5-2.7113.3D263 L264 V265 Y277D263-R267 WeakPolarHBondContact O-CG 3.34Å; D263-R267 PolarHBondContact O-N 3.08Å; D263-R267 IonicContact OD1-NE 2.94Å; D263-R267 IonicContact OD1-NH2 3.81Å; D263-R267 IonicContact OD2-NE 3.76Å; L264-R267 WeakPolarHBondContact O-CB 3.4Å; L264-R267 PolarHBondContact O-N 3.04Å; L264-R267 VanDerWaalsContact O-N 3.12Å; V265-R267 VanDerWaalsContact C-N 3.26Å; V265-R267 PolarHBondContact O-N 3.07Å; R267-Y277 HydrophobicContact CB-CD1 3.82Å; R267-Y277 HydrophobicContact CB-CD2 3.54Å; R267-Y277 HydrophobicContact CB-CE1 3.97Å; R267-Y277 HydrophobicContact CB-CE2 3.7Å; R267-Y277 HydrophobicContact CB-CG 3.61Å; R267-Y277 HydrophobicContact CG-CD1 4.26Å; R267-Y277 HydrophobicContact CG-CD2 4.05Å; R267-Y277 HydrophobicContact CG-CE1 3.88Å; R267-Y277 HydrophobicContact CG-CE2 3.64Å; R267-Y277 HydrophobicContact CG-CG 4.35Å; R267-Y277 PolarHBondContact O-N 2.99Å; R267-Y277 VanDerWaalsContact O-N 3.11Å
268F98.7Very high97.2Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-84.3-44.2171.9-65.6-51.3000112.5L135 M213 T216 M220 L264 V265 V270 R276 A282L135-F268 HydrophobicContact CD1-CZ 4.2Å; L135-F268 HydrophobicContact CD2-CE1 4.1Å; L135-F268 HydrophobicContact CD2-CZ 3.96Å; M213-F268 HydrophobicContact CE-CD1 3.9Å; M213-F268 HydrophobicContact CE-CE1 3.43Å; M213-F268 VanDerWaalsContact CE-CE1 3.43Å; M213-F268 HydrophobicContact CE-CZ 4.49Å; T216-F268 HydrophobicContact CG2-CE1 4.38Å; T216-F268 HydrophobicContact CG2-CE2 4.43Å; T216-F268 HydrophobicContact CG2-CZ 4.19Å; M220-F268 HydrophobicContact SD-CD2 4.25Å; M220-F268 HydrophobicContact SD-CE2 3.78Å; L264-F268 HydrophobicContact CD1-CD2 4.37Å; L264-F268 HydrophobicContact CD1-CE1 4.5Å; L264-F268 HydrophobicContact CD1-CE2 3.7Å; L264-F268 HydrophobicContact CD1-CZ 3.78Å; L264-F268 HydrophobicContact CD2-CE2 4.21Å; L264-F268 HydrophobicContact CG-CD2 4.27Å; L264-F268 HydrophobicContact CG-CE2 3.62Å; L264-F268 HydrophobicContact CG-CZ 4.17Å; L264-F268 WeakPolarHBondContact O-CD2 3.28Å; L264-F268 PolarHBondContact O-N 3.4Å; V265-F268 PolarHBondContact O-N 3.44Å; V265-F268 VanDerWaalsContact O-N 3.15Å; F268-V270 PolarHBondContact O-N 3.44Å; F268-R276 WeakPolarHBondContact O-CD 3.29Å; F268-R276 WeakPolarHBondContact O-CG 3.39Å; F268-R276 PolarHBondContact O-NE 2.65Å; F268-A282 HydrophobicContact CE1-CB 3.5Å; F268-A282 HydrophobicContact CZ-CB 3.58Å
269L98.6Very high97.6Very high7 Ų746.5 Ų46.54%0.03724%0.239CC..SBendtrans-85.751.1-175.8-60.4-177.3000112W214 V218 P229 F230 Y247 V265W214-L269 HydrophobicContact CD2-CD2 4.04Å; W214-L269 HydrophobicContact CE3-CD2 4.21Å; W214-L269 HydrophobicContact CZ2-CD2 4.39Å; W214-L269 HydrophobicContact CZ3-CB 4.41Å; W214-L269 HydrophobicContact CZ3-CD2 4.48Å; V218-L269 HydrophobicContact CG2-CD2 3.84Å; P229-L269 HydrophobicContact CB-CD1 4.2Å; P229-L269 HydrophobicContact CG-CD1 4.17Å; F230-L269 HydrophobicContact CE2-CD1 4.45Å; F230-L269 HydrophobicContact CE2-CD2 4.23Å; F230-L269 HydrophobicContact CZ-CD1 4.43Å; Y247-L269 HydrophobicContact CD1-CB 4.18Å; Y247-L269 HydrophobicContact CD1-CD1 4.03Å; Y247-L269 HydrophobicContact CD2-CD1 4.15Å; Y247-L269 HydrophobicContact CE1-CB 3.51Å; Y247-L269 HydrophobicContact CE1-CD1 3.99Å; Y247-L269 HydrophobicContact CE1-CG 4.42Å; Y247-L269 HydrophobicContact CE2-CD1 4.11Å; Y247-L269 HydrophobicContact CG-CD1 4.13Å; V265-L269 HydrophobicContact CG1-CD1 3.84Å; V265-L269 HydrophobicContact CG1-CG 4.33Å; V265-L269 PolarHBondContact O-N 3.48Å
270V98.4Very high97.9Very high36 Ų3645.8 Ų45.822%0.21823%0.231CC..  trans-99.6124.4174.9-176.30000109S266 F268 Q272 N275 R276S266-V270 WeakPolarHBondContact O-CG2 3.32Å; F268-V270 PolarHBondContact O-N 3.44Å; V270-Q272 PolarHBondContact O-N 3.34Å; V270-N275 HydrophobicContact CG1-CB 3.83Å; V270-R276 HydrophobicContact CB-CB 4.4Å; V270-R276 PolarHBondContact O-NE 2.91Å; V270-R276 PolarHBondContact O-NH2 3.34Å
271V98Very high98Very high42 Ų4248.7 Ų48.726%0.25524%0.243SC..SBendtrans-61-46.2-177.6175.60000111.3P193 P273 R276P193-V271 HydrophobicContact CB-CG1 4.03Å; P193-V271 HydrophobicContact CG-CG1 4.22Å; P193-V271 HydrophobicContact CG-CG2 4.42Å; V271-P273 VanDerWaalsContact O-CD 3.24Å; V271-P273 WeakPolarHBondContact O-CD 3.4Å; V271-R276 PolarHBondContact O-NH2 3.45Å
272Q97.6Very high98.1Very high99 Ų9948.7 Ų48.746%0.46324%0.243SC..SBendtrans-75111.5178.7-70.1-64-15.100110.8V270 Q274 N275V270-Q272 PolarHBondContact O-N 3.34Å; Q272-Q274 VanDerWaalsContact C-N 3.29Å; Q272-Q274 PolarHBondContact O-N 2.93Å; Q272-N275 HydrophobicContact CB-CB 4.47Å; Q272-N275 PolarHBondContact O-N 2.99Å
273P97.1Very high98.1Very high26 Ų2648.8 Ų48.817%0.16925%0.245CC..G310 helixtrans-60.5-36.1-170.4-24.835.7000113.6E194 E210 V271 N275 R276E194-P273 HydrophobicContact CB-CG 4.04Å; E194-P273 VanDerWaalsContact CD-CG 3.44Å; E194-P273 HydrophobicContact CG-CG 3.9Å; E210-P273 HydrophobicContact CB-CB 3.84Å; E210-P273 HydrophobicContact CG-CB 4.03Å; V271-P273 VanDerWaalsContact O-CD 3.24Å; V271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-N275 PolarHBondContact O-N 3.49Å; P273-R276 WeakPolarHBondContact O-CB 3.47Å; P273-R276 PolarHBondContact O-N 3.29Å
274Q96.3Very high98Very high133 Ų13349 Ų4962%0.62125%0.254SS*.G310 helixtrans-63.9-19.1178.965.6-82.314.900114.5Q272Q272-Q274 VanDerWaalsContact C-N 3.29Å; Q272-Q274 PolarHBondContact O-N 2.93Å
275N97.7Very high98Very high109 Ų10949.5 Ų49.558%0.58326%0.257SS*.G310 helixtrans-100.8-4.7178-65.4-27.5000112.1V270 Q272 P273V270-N275 HydrophobicContact CG1-CB 3.83Å; Q272-N275 HydrophobicContact CB-CB 4.47Å; Q272-N275 PolarHBondContact O-N 2.99Å; P273-N275 PolarHBondContact O-N 3.49Å
276R98.3Very high97.8Very high10 Ų1052.5 Ų52.54%0.03828%0.276CS..SBendtrans-77.8140.9-179.7-163.7177.5-60.9146.73.8109.1E194 E210 M213 F268 V270 V271 P273 T278E194-R276 IonicContact OE1-CZ 3.65Å; E194-R276 IonicContact OE1-NH1 2.8Å; E194-R276 PolarHBondContact OE1-NH1 3.06Å; E194-R276 IonicContact OE1-NH2 3.8Å; E194-R276 PolarHBondContact OE1-NH2 3.18Å; E194-R276 IonicContact OE2-CZ 2.9Å; E194-R276 IonicContact OE2-NH1 3.33Å; E194-R276 IonicContact OE2-NH2 3.78Å; E194-R276 PolarHBondContact OE2-NH2 2.96Å; E210-R276 VanDerWaalsContact C-NH1 3.27Å; E210-R276 PolarHBondContact O-NH1 2.98Å; M213-R276 HydrophobicContact CB-CG 4.17Å; F268-R276 WeakPolarHBondContact O-CD 3.29Å; F268-R276 WeakPolarHBondContact O-CG 3.39Å; F268-R276 PolarHBondContact O-NE 2.65Å; V270-R276 HydrophobicContact CB-CB 4.4Å; V270-R276 PolarHBondContact O-NE 2.91Å; V270-R276 PolarHBondContact O-NH2 3.34Å; V271-R276 PolarHBondContact O-NH2 3.45Å; P273-R276 WeakPolarHBondContact O-CB 3.47Å; P273-R276 PolarHBondContact O-N 3.29Å; R276-T278 PolarHBondContact O-N 3.41Å
277Y98.4Very high97.7Very high51 Ų5150.8 Ų50.820%0.226%0.264CS..PPolyproline II helixtrans-60.1135.8175.4-86.913.6000111.8M213 L264 R267 E281 A282 H285M213-Y277 WeakPolarHBondContact CB-O 3.26Å; M213-Y277 WeakPolarHBondContact CE-O 3.35Å; M213-Y277 VanDerWaalsContact CG-O 3.27Å; M213-Y277 WeakPolarHBondContact CG-O 3.41Å; L264-Y277 HydrophobicContact CD1-CD2 4.24Å; L264-Y277 HydrophobicContact CD1-CE2 4.48Å; R267-Y277 HydrophobicContact CB-CD1 3.82Å; R267-Y277 HydrophobicContact CB-CD2 3.54Å; R267-Y277 HydrophobicContact CB-CE1 3.97Å; R267-Y277 HydrophobicContact CB-CE2 3.7Å; R267-Y277 HydrophobicContact CB-CG 3.61Å; R267-Y277 HydrophobicContact CG-CD1 4.26Å; R267-Y277 HydrophobicContact CG-CD2 4.05Å; R267-Y277 HydrophobicContact CG-CE1 3.88Å; R267-Y277 HydrophobicContact CG-CE2 3.64Å; R267-Y277 HydrophobicContact CG-CG 4.35Å; R267-Y277 PolarHBondContact O-N 2.99Å; R267-Y277 VanDerWaalsContact O-N 3.11Å; Y277-E281 HydrophobicContact CD1-CB 4.39Å; Y277-E281 HydrophobicContact CD2-CB 4.31Å; Y277-E281 HydrophobicContact CG-CB 4.13Å; Y277-A282 HydrophobicContact CD2-CB 4.26Å; Y277-H285 AromaticContact CE2-CD2 3.97Å
278T98.7Very high97.5Very high67 Ų6746.1 Ų46.141%0.41125%0.246SC..PPolyproline II helixtrans-71.7163.9160.963.40000110.7R276 E280 E281 A282R276-T278 PolarHBondContact O-N 3.41Å; T278-E280 PolarHBondContact O-N 2.76Å; T278-E281 WeakPolarHBondContact CB-OE2 3.47Å; T278-E281 WeakPolarHBondContact CG2-OE2 3.31Å; T278-E281 PolarHBondContact N-OE2 3.33Å; T278-E281 PolarHBondContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CB 3.45Å; T278-E281 VanDerWaalsContact OG1-CD 3.27Å; T278-E281 VanDerWaalsContact OG1-CG 3.24Å; T278-E281 WeakPolarHBondContact OG1-CG 3.49Å; T278-E281 PolarHBondContact OG1-N 3.29Å; T278-E281 PolarHBondContact OG1-OE2 3.03Å; T278-A282 WeakPolarHBondContact O-CB 3.44Å; T278-A282 PolarHBondContact O-N 2.92Å
279A98.3Very high96.9Very high3 Ų351.6 Ų51.63%0.02527%0.272CS..Hα-helixtrans-60.4-35.1176.700000112.8L135 I138 C139 M213 L283L135-A279 HydrophobicContact CD2-CB 4.37Å; I138-A279 HydrophobicContact CB-CB 4.3Å; I138-A279 HydrophobicContact CG2-CB 4Å; C139-A279 HydrophobicContact CB-CB 3.89Å; M213-A279 HydrophobicContact CE-CB 4.2Å; M213-A279 HydrophobicContact SD-CB 3.99Å; A279-L283 WeakPolarHBondContact O-CB 3.4Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 3.2Å
280E98Very high95.1Very high110 Ų11059.7 Ų59.751%0.51431%0.31SS..Hα-helixtrans-69.2-45.3178.2-65.5-171.8148.900112C139 K143 T278 A282 L283 A284C139-E280 VanDerWaalsContact SG-CG 3.54Å; K143-E280 WeakPolarHBondContact CE-OE1 3.4Å; K143-E280 IonicContact NZ-OE1 2.81Å; K143-E280 PolarHBondContact NZ-OE1 2.87Å; T278-E280 PolarHBondContact O-N 2.76Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 2.72Å; E280-L283 PolarHBondContact O-N 2.92Å; E280-A284 PolarHBondContact O-N 2.89Å; E280-A284 VanDerWaalsContact O-N 3.11Å
281E98.2Very high92.9Very high97 Ų9765.8 Ų65.845%0.45333%0.33SS..Hα-helixtrans-61.8-42.2174.8-70.6164.7144.200111.3Y277 T278 A284 H285Y277-E281 HydrophobicContact CD1-CB 4.39Å; Y277-E281 HydrophobicContact CD2-CB 4.31Å; Y277-E281 HydrophobicContact CG-CB 4.13Å; T278-E281 WeakPolarHBondContact CB-OE2 3.47Å; T278-E281 WeakPolarHBondContact CG2-OE2 3.31Å; T278-E281 PolarHBondContact N-OE2 3.33Å; T278-E281 PolarHBondContact O-N 3.14Å; T278-E281 WeakPolarHBondContact OG1-CB 3.45Å; T278-E281 VanDerWaalsContact OG1-CD 3.27Å; T278-E281 VanDerWaalsContact OG1-CG 3.24Å; T278-E281 WeakPolarHBondContact OG1-CG 3.49Å; T278-E281 PolarHBondContact OG1-N 3.29Å; T278-E281 PolarHBondContact OG1-OE2 3.03Å; E281-A284 PolarHBondContact O-N 3.44Å; E281-H285 PolarHBondContact O-N 3.46Å
282A98.3Very high90.4Very high0 Ų070 Ų700%036%0.355CS..Hα-helixtrans-63.2-42.9176.900000112.4L135 M213 L264 F268 Y277 T278 E280 A284 H285 F288L135-A282 HydrophobicContact CD1-CB 3.9Å; L135-A282 HydrophobicContact CD2-CB 3.92Å; M213-A282 HydrophobicContact CE-CB 4.45Å; L264-A282 HydrophobicContact CD1-CB 4.38Å; F268-A282 HydrophobicContact CE1-CB 3.5Å; F268-A282 HydrophobicContact CZ-CB 3.58Å; Y277-A282 HydrophobicContact CD2-CB 4.26Å; T278-A282 WeakPolarHBondContact O-CB 3.44Å; T278-A282 PolarHBondContact O-N 2.92Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 2.72Å; A282-A284 PolarHBondContact O-N 3.04Å; A282-H285 WeakPolarHBondContact O-CB 3.49Å; A282-H285 PolarHBondContact O-N 2.63Å; A282-H285 VanDerWaalsContact O-N 3.09Å; A282-F288 WeakPolarHBondContact O-CD2 3.33Å; A282-F288 WeakPolarHBondContact O-CE2 3.47Å
283L97.5Very high88Confident39 Ų3969.3 Ų69.320%0.20436%0.358CS..Hα-helixtrans-64.5-28.5175.9-77.6167000112.9R132 L135 E136 C139 A279 E280 H285R132-L283 HydrophobicContact CG-CD2 4.12Å; L135-L283 HydrophobicContact CB-CD1 4.21Å; L135-L283 HydrophobicContact CB-CD2 3.76Å; L135-L283 HydrophobicContact CB-CG 3.76Å; L135-L283 HydrophobicContact CD1-CD2 4.3Å; L135-L283 HydrophobicContact CD1-CG 4.39Å; E136-L283 HydrophobicContact CG-CD1 4.12Å; E136-L283 HydrophobicContact CG-CD2 4.14Å; C139-L283 HydrophobicContact CB-CD1 4.45Å; A279-L283 WeakPolarHBondContact O-CB 3.4Å; A279-L283 WeakPolarHBondContact O-CG 3.46Å; A279-L283 PolarHBondContact O-N 3.2Å; E280-L283 PolarHBondContact O-N 2.92Å; L283-H285 VanDerWaalsContact C-N 3.29Å
284A96.8Very high85.7Confident61 Ų6176.5 Ų76.550%0.50439%0.389SS..Hα-helixtrans-78.1-11.9174.900000113.6E280 E281 A282 Q289E280-A284 PolarHBondContact O-N 2.89Å; E280-A284 VanDerWaalsContact O-N 3.11Å; E281-A284 PolarHBondContact O-N 3.44Å; A282-A284 PolarHBondContact O-N 3.04Å; A284-Q289 PolarHBondContact O-NE2 2.88Å
285H97.5Very high83.3Confident10 Ų1077.2 Ų77.25%0.04639%0.392CS..SBendtrans-61.3144.3-177.3-173.4-94.9000112.5T260 D263 L264 Y277 E281 A282 L283 F287 F288 Q289T260-H285 PolarHBondContact O-CE1 3.09Å; D263-H285 IonicContact OD2-CD2 2.7Å; D263-H285 IonicContact OD2-NE2 2.74Å; D263-H285 PolarHBondContact OD2-NE2 2.93Å; D263-H285 VanDerWaalsContact OD2-NE2 3.07Å; L264-H285 HydrophobicContact CD1-CB 4Å; Y277-H285 AromaticContact CE2-CD2 3.97Å; E281-H285 PolarHBondContact O-N 3.46Å; A282-H285 WeakPolarHBondContact O-CB 3.49Å; A282-H285 PolarHBondContact O-N 2.63Å; A282-H285 VanDerWaalsContact O-N 3.09Å; L283-H285 VanDerWaalsContact C-N 3.29Å; H285-F287 VanDerWaalsContact ND1-CB 3.26Å; H285-F287 WeakPolarHBondContact ND1-CB 3.28Å; H285-F287 PolarHBondContact ND1-N 3.45Å; H285-F287 PolarHBondContact O-N 2.97Å; H285-F288 PolarHBondContact O-N 3.4Å; H285-Q289 PolarHBondContact O-N 2.96Å
286P95.3Very high81.2Confident62 Ų6278 Ų7840%0.40340%0.401SS..THydrogen-bonded Turntrans-52.4-25.7179.4-30.736.8000115.5T260 F288 Q289T260-P286 HydrophobicContact CG2-CB 4.21Å; P286-F288 PolarHBondContact O-N 3.42Å; P286-Q289 PolarHBondContact O-N 3.29Å
287F95.7Very high79.3Confident2 Ų288.7 Ų88.71%0.00944%0.441CS..THydrogen-bonded Turntrans-56.7-34.1173.7-177.8-109.8000113E124 R128 M220 T260 V261 L264 H285E124-F287 HydrophobicContact CB-CE2 4.39Å; R128-F287 HydrophobicContact CB-CE1 3.71Å; R128-F287 HydrophobicContact CB-CE2 4.46Å; R128-F287 HydrophobicContact CB-CZ 3.64Å; R128-F287 VanDerWaalsContact CD-O 3.3Å; R128-F287 WeakPolarHBondContact CD-O 3.32Å; R128-F287 HydrophobicContact CG-CD1 4.33Å; R128-F287 HydrophobicContact CG-CE1 3.93Å; R128-F287 HydrophobicContact CG-CZ 4.21Å; R128-F287 PolarHBondContact NE-O 3.37Å; M220-F287 HydrophobicContact CE-CD1 4.09Å; M220-F287 HydrophobicContact CE-CE1 3.7Å; M220-F287 HydrophobicContact CE-CE2 4.47Å; M220-F287 HydrophobicContact CE-CZ 3.93Å; T260-F287 HydrophobicContact CG2-CB 4.1Å; V261-F287 HydrophobicContact CB-CD2 4.05Å; V261-F287 HydrophobicContact CB-CE2 3.87Å; V261-F287 HydrophobicContact CG2-CD2 3.96Å; V261-F287 HydrophobicContact CG2-CE2 3.47Å; V261-F287 VanDerWaalsContact CG2-CE2 3.47Å; V261-F287 HydrophobicContact CG2-CZ 3.86Å; L264-F287 HydrophobicContact CD2-CB 3.74Å; L264-F287 HydrophobicContact CD2-CD1 3.52Å; L264-F287 HydrophobicContact CD2-CE1 4.38Å; L264-F287 HydrophobicContact CD2-CG 3.87Å; H285-F287 VanDerWaalsContact ND1-CB 3.26Å; H285-F287 WeakPolarHBondContact ND1-CB 3.28Å; H285-F287 PolarHBondContact ND1-N 3.45Å; H285-F287 PolarHBondContact O-N 2.97Å
288F94.5Very high77.3Confident5 Ų593.4 Ų93.42%0.02247%0.465CS..THydrogen-bonded Turntrans-99.4-9.4177.8-60.9-70000113.1R128 M131 R132 L135 L264 A282 H285 P286 Q290R128-F288 HydrophobicContact CG-CD1 3.9Å; R128-F288 HydrophobicContact CG-CE1 4.23Å; R128-F288 WeakPolarHBondContact O-CE1 3.19Å; M131-F288 HydrophobicContact CB-CE1 4Å; M131-F288 HydrophobicContact CB-CZ 3.81Å; R132-F288 HydrophobicContact CB-CD1 3.91Å; R132-F288 HydrophobicContact CB-CE1 3.87Å; R132-F288 PolarHBondContact NH2-O 3.47Å; L135-F288 HydrophobicContact CD1-CD2 4.43Å; L135-F288 HydrophobicContact CD1-CE1 4.44Å; L135-F288 HydrophobicContact CD1-CE2 3.39Å; L135-F288 HydrophobicContact CD1-CZ 3.4Å; L135-F288 VanDerWaalsContact CD1-CZ 3.4Å; L264-F288 HydrophobicContact CD2-CD2 4.25Å; L264-F288 HydrophobicContact CD2-CE2 3.49Å; L264-F288 VanDerWaalsContact CD2-CE2 3.49Å; L264-F288 HydrophobicContact CD2-CZ 3.99Å; A282-F288 WeakPolarHBondContact O-CD2 3.33Å; A282-F288 WeakPolarHBondContact O-CE2 3.47Å; H285-F288 PolarHBondContact O-N 3.4Å; P286-F288 PolarHBondContact O-N 3.42Å; F288-Q290 PolarHBondContact O-N 2.85Å
289Q85.8Confident76Confident115 Ų11597.2 Ų97.254%0.53748%0.476SS..SBendtrans-66.7129.6171-64179.37.200107.5A284 H285 P286 Y291A284-Q289 PolarHBondContact O-NE2 2.88Å; H285-Q289 PolarHBondContact O-N 2.96Å; P286-Q289 PolarHBondContact O-N 3.29Å; Q289-Y291 PolarHBondContact O-N 3.45Å
290Q61.6Low75.1Confident177 Ų177100 Ų10083%0.82750%0.495SS*.  trans-58.4117.5166.7-82-178.6-11.300105.4F288 V292F288-Q290 PolarHBondContact O-N 2.85Å; Q290-V292 PolarHBondContact O-N 3.25Å
291Y51.6Low74.2Confident164 Ų16498.9 Ų98.964%0.64350%0.497SS*.  trans-54.1103.7156.2-84.7-95.4000104.6Q289 V293Q289-Y291 PolarHBondContact O-N 3.45Å; Y291-V293 PolarHBondContact O-N 2.94Å
292V45.6Very low73.2Confident130 Ų130104.8 Ų104.879%0.78852%0.515SS*.  trans-6191.2148.8-178.20000101.6Q290 E294Q290-V292 PolarHBondContact O-N 3.25Å; V292-E294 PolarHBondContact O-N 2.63Å
293V47.6Very low72.2Confident85 Ų85106.3 Ų106.352%0.51553%0.531SS..  trans-63.494.7169.8179.90000102.7Y291 E295 V296Y291-V293 PolarHBondContact O-N 2.94Å; V293-E295 PolarHBondContact O-N 3.17Å; V293-V296 HydrophobicContact CG1-CB 4.41Å; V293-V296 HydrophobicContact CG1-CG2 3.88Å
294E47.6Very low71.4Confident176 Ų176110.7 Ų110.782%0.82255%0.548SS*.  trans-50.2105.6144.6-88.6-167.7158.100103.1V292 V296V292-E294 PolarHBondContact O-N 2.63Å; E294-V296 PolarHBondContact O-N 3.26Å
295E45.5Very low71Confident149 Ų149115 Ų11570%0.69656%0.556SS**  trans-27.6101.9-173.6-74.8-177.8156.800109.8V293 R297V293-E295 PolarHBondContact O-N 3.17Å; E295-R297 VanDerWaalsContact C-N 3.28Å; E295-R297 PolarHBondContact O-N 3.12Å
296V54.1Low70.6Confident125 Ų125121.7 Ų121.776%0.75859%0.585SS**  trans-57.1106.6173.21750000103.6V293 E294 H298V293-V296 HydrophobicContact CG1-CB 4.41Å; V293-V296 HydrophobicContact CG1-CG2 3.88Å; E294-V296 PolarHBondContact O-N 3.26Å; V296-H298 PolarHBondContact O-N 3.47Å
297R58.1Low70.3Confident234 Ų234123.2 Ų123.288%0.88359%0.593SS**  trans-29109.8-169.7-76.6179.3171.6178.4-1.4109.6E295 F299E295-R297 VanDerWaalsContact C-N 3.28Å; E295-R297 PolarHBondContact O-N 3.12Å; R297-F299 PolarHBondContact O-N 2.95Å
298H58.1Low70.2Confident150 Ų150128.1 Ų128.169%0.69462%0.618SS**  trans-40.9120.8179-87.4-69.7000109.1V296 S300V296-H298 PolarHBondContact O-N 3.47Å; H298-S300 PolarHBondContact O-N 3.12Å
299F71.4Confident70.1Confident148 Ų148129.7 Ų129.765%0.64963%0.632SS**  trans-54.8108.1174.3172.8-103.1000107.2R297 P301 K304R297-F299 PolarHBondContact O-N 2.95Å; F299-P301 HydrophobicContact CD1-CG 4.09Å; F299-P301 HydrophobicContact CE1-CB 4.27Å; F299-P301 HydrophobicContact CE1-CG 3.76Å; F299-P301 VanDerWaalsContact O-CD 3.29Å; F299-P301 WeakPolarHBondContact O-CD 3.37Å; F299-K304 HydrophobicContact CD2-CD 4.38Å; F299-K304 HydrophobicContact CD2-CG 4.15Å; F299-K304 HydrophobicContact CE2-CB 4.38Å; F299-K304 HydrophobicContact CE2-CD 3.91Å; F299-K304 HydrophobicContact CE2-CG 3.77Å
300S79Confident70.4Confident61 Ų61128.2 Ų128.243%0.42763%0.631SS.*  trans-99.7104.4177.7177.10000107.1H298 R302 G303 K304H298-S300 PolarHBondContact O-N 3.12Å; S300-R302 PolarHBondContact O-N 3.14Å; S300-G303 WeakPolarHBondContact O-CA 3.44Å; S300-G303 PolarHBondContact O-N 3.03Å; S300-G303 PolarHBondContact OG-N 3.26Å; S300-G303 VanDerWaalsContact OG-N 3.09Å; S300-K304 PolarHBondContact O-N 3.04Å
301P77.9Confident71.9Confident86 Ų86123.6 Ų123.656%0.55861%0.614SS**Hα-helixtrans-54.3-39.6178-2431.8000111.3F299 F305F299-P301 HydrophobicContact CD1-CG 4.09Å; F299-P301 HydrophobicContact CE1-CB 4.27Å; F299-P301 HydrophobicContact CE1-CG 3.76Å; F299-P301 VanDerWaalsContact O-CD 3.29Å; F299-P301 WeakPolarHBondContact O-CD 3.37Å; P301-F305 VanDerWaalsContact O-CB 3.22Å; P301-F305 WeakPolarHBondContact O-CB 3.36Å; P301-F305 PolarHBondContact O-N 3.38Å
302R77.5Confident74Confident222 Ų222119.7 Ų119.784%0.83861%0.608SS**Hα-helixtrans-65.8-42.1175.4-72.2-176.6174.5160.9-1112.5S300 K306S300-R302 PolarHBondContact O-N 3.14Å; R302-K306 WeakPolarHBondContact O-CB 3.33Å; R302-K306 PolarHBondContact O-N 3.19Å
303G76.8Confident76.3Confident31 Ų31118.5 Ų118.532%0.3260%0.596SS.*Hα-helixtrans-62.8-48.8177.100000112.4S300 K306 V307S300-G303 WeakPolarHBondContact O-CA 3.44Å; S300-G303 PolarHBondContact O-N 3.03Å; S300-G303 PolarHBondContact OG-N 3.26Å; S300-G303 VanDerWaalsContact OG-N 3.09Å; G303-K306 PolarHBondContact O-N 3.02Å; G303-V307 WeakPolarHBondContact O-CG2 3.42Å; G303-V307 PolarHBondContact O-N 3.28Å
304K81.9Confident78.4Confident131 Ų131116.5 Ų116.557%0.5759%0.588SS**Hα-helixtrans-62.9-44.5176.4-76.8-113-175173.70112F299 S300 K306 V307 I308F299-K304 HydrophobicContact CD2-CD 4.38Å; F299-K304 HydrophobicContact CD2-CG 4.15Å; F299-K304 HydrophobicContact CE2-CB 4.38Å; F299-K304 HydrophobicContact CE2-CD 3.91Å; F299-K304 HydrophobicContact CE2-CG 3.77Å; S300-K304 PolarHBondContact O-N 3.04Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K304-K306 PolarHBondContact O-N 3.49Å; K304-V307 PolarHBondContact O-N 2.89Å; K304-I308 WeakPolarHBondContact O-CG1 3.45Å; K304-I308 PolarHBondContact O-N 3.12Å
305F88.3Confident80.5Confident152 Ų152111.4 Ų111.467%0.66757%0.572SS**Hα-helixtrans-60.6-42.5176.3-177-102000112.1P301 V307 I308 A309P301-F305 VanDerWaalsContact O-CB 3.22Å; P301-F305 WeakPolarHBondContact O-CB 3.36Å; P301-F305 PolarHBondContact O-N 3.38Å; F305-V307 PolarHBondContact O-N 2.97Å; F305-I308 PolarHBondContact O-N 3.3Å; F305-A309 WeakPolarHBondContact O-CB 3.38Å; F305-A309 PolarHBondContact O-N 3.05Å
306K89.8Confident82.5Confident151 Ų151107.4 Ų107.466%0.65756%0.558SS**Hα-helixtrans-62.3-43177.2-171178-178.5-178.80111.9R302 G303 K304 A309 V310R302-K306 WeakPolarHBondContact O-CB 3.33Å; R302-K306 PolarHBondContact O-N 3.19Å; G303-K306 PolarHBondContact O-N 3.02Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K304-K306 PolarHBondContact O-N 3.49Å; K306-A309 PolarHBondContact O-N 3.26Å; K306-V310 VanDerWaalsContact O-CG2 3.3Å; K306-V310 WeakPolarHBondContact O-CG2 3.5Å; K306-V310 PolarHBondContact O-N 3.35Å
307V88.9Confident84Confident93 Ų93110.2 Ų110.256%0.56456%0.555SS**Hα-helixtrans-62.6-47.5176.21730000110.6G303 K304 F305 A309 V310 T311G303-V307 WeakPolarHBondContact O-CG2 3.42Å; G303-V307 PolarHBondContact O-N 3.28Å; K304-V307 PolarHBondContact O-N 2.89Å; F305-V307 PolarHBondContact O-N 2.97Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.26Å; V307-V310 PolarHBondContact O-N 3.06Å; V307-T311 WeakPolarHBondContact O-CB 3.47Å; V307-T311 PolarHBondContact O-N 3.16Å; V307-T311 PolarHBondContact O-OG1 2.85Å
308I92.4Very high85.2Confident105 Ų105104.5 Ų104.554%0.53854%0.541SS..Hα-helixtrans-57.5-47.4177.1-68.6167.1000110.9K304 F305 V310 T311 V312K304-I308 WeakPolarHBondContact O-CG1 3.45Å; K304-I308 PolarHBondContact O-N 3.12Å; F305-I308 PolarHBondContact O-N 3.3Å; I308-V310 PolarHBondContact O-N 3.25Å; I308-T311 PolarHBondContact O-N 2.93Å; I308-V312 WeakPolarHBondContact O-CG2 3.36Å; I308-V312 PolarHBondContact O-N 3.04Å
309A92.4Very high86.4Confident38 Ų38103.5 Ų103.531%0.31453%0.532SS..Hα-helixtrans-60.7-4417900000112.3F305 K306 V307 V312 L313F305-A309 WeakPolarHBondContact O-CB 3.38Å; F305-A309 PolarHBondContact O-N 3.05Å; K306-A309 PolarHBondContact O-N 3.26Å; V307-A309 VanDerWaalsContact C-N 3.34Å; V307-A309 PolarHBondContact O-N 3.26Å; A309-V312 PolarHBondContact O-N 3.15Å; A309-L313 WeakPolarHBondContact O-CB 3.36Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.34Å; A309-L313 PolarHBondContact O-N 2.77Å
310V92.4Very high86.6Confident85 Ų85103.8 Ų103.852%0.51553%0.53SS..Hα-helixtrans-65.7-41.8177.5172.30000111.2K306 V307 I308 L313 A314K306-V310 VanDerWaalsContact O-CG2 3.3Å; K306-V310 WeakPolarHBondContact O-CG2 3.5Å; K306-V310 PolarHBondContact O-N 3.35Å; V307-V310 PolarHBondContact O-N 3.06Å; I308-V310 PolarHBondContact O-N 3.25Å; V310-L313 PolarHBondContact O-N 3.39Å; V310-A314 WeakPolarHBondContact O-CB 3.45Å; V310-A314 PolarHBondContact O-N 3.32Å
311T94.2Very high86.3Confident79 Ų79107.8 Ų107.849%0.48554%0.542SS..Hα-helixtrans-61.4-45.4176.7-59.30000111.2V307 I308 A314 S315V307-T311 WeakPolarHBondContact O-CB 3.47Å; V307-T311 PolarHBondContact O-N 3.16Å; V307-T311 PolarHBondContact O-OG1 2.85Å; I308-T311 PolarHBondContact O-N 2.93Å; T311-A314 PolarHBondContact O-N 3.4Å; T311-S315 WeakPolarHBondContact O-CB 3.43Å; T311-S315 PolarHBondContact O-N 3.32Å; T311-S315 PolarHBondContact O-OG 3.42Å; T311-S315 VanDerWaalsContact O-OG 3.06Å
312V94.6Very high85.8Confident83 Ų83114 Ų11450%0.50356%0.555SS.*Hα-helixtrans-61.9-46.8175.8172.30000111I308 A309 A314 S315 V316I308-V312 WeakPolarHBondContact O-CG2 3.36Å; I308-V312 PolarHBondContact O-N 3.04Å; A309-V312 PolarHBondContact O-N 3.15Å; V312-A314 VanDerWaalsContact C-N 3.32Å; V312-A314 PolarHBondContact O-N 3.35Å; V312-S315 PolarHBondContact O-N 2.91Å; V312-V316 HydrophobicContact CG1-CG2 4.33Å; V312-V316 WeakPolarHBondContact O-CB 3.44Å; V312-V316 VanDerWaalsContact O-CG2 3.24Å; V312-V316 WeakPolarHBondContact O-CG2 3.27Å; V312-V316 PolarHBondContact O-N 2.99Å
313L93.8Very high85.2Confident104 Ų104111.8 Ų111.855%0.54555%0.547SS..Hα-helixtrans-61.3-40.1177.9-73171.2000112.4A309 V310 R317A309-L313 WeakPolarHBondContact O-CB 3.36Å; A309-L313 VanDerWaalsContact O-CG 3.28Å; A309-L313 WeakPolarHBondContact O-CG 3.34Å; A309-L313 PolarHBondContact O-N 2.77Å; V310-L313 PolarHBondContact O-N 3.39Å; L313-R317 WeakPolarHBondContact O-CB 3.23Å; L313-R317 WeakPolarHBondContact O-CG 3.41Å; L313-R317 PolarHBondContact O-N 3.42Å
314A92.8Very high84.3Confident43 Ų43120.1 Ų120.136%0.35557%0.569SS.*Hα-helixtrans-65.1-48.4176.200000111.3V310 T311 V312 V316 R317 I318V310-A314 WeakPolarHBondContact O-CB 3.45Å; V310-A314 PolarHBondContact O-N 3.32Å; T311-A314 PolarHBondContact O-N 3.4Å; V312-A314 VanDerWaalsContact C-N 3.32Å; V312-A314 PolarHBondContact O-N 3.35Å; A314-V316 VanDerWaalsContact C-N 3.31Å; A314-V316 PolarHBondContact O-N 2.89Å; A314-R317 PolarHBondContact O-N 2.97Å; A314-R317 VanDerWaalsContact O-N 3.16Å; A314-I318 VanDerWaalsContact O-CG1 3.3Å; A314-I318 WeakPolarHBondContact O-CG1 3.3Å; A314-I318 PolarHBondContact O-N 3.06Å
315S90.8Very high83.2Confident69 Ų69119.8 Ų119.848%0.48358%0.577SS.*Hα-helixtrans-59.2-41.8176.7-65.40000112.1T311 V312 I318 Y319T311-S315 WeakPolarHBondContact O-CB 3.43Å; T311-S315 PolarHBondContact O-N 3.32Å; T311-S315 PolarHBondContact O-OG 3.42Å; T311-S315 VanDerWaalsContact O-OG 3.06Å; V312-S315 PolarHBondContact O-N 2.91Å; S315-I318 PolarHBondContact O-N 3.23Å; S315-Y319 VanDerWaalsContact O-CB 3.27Å; S315-Y319 WeakPolarHBondContact O-CB 3.19Å; S315-Y319 PolarHBondContact O-N 3.44Å
316V87.6Confident81.7Confident66 Ų66121.2 Ų121.240%0.458%0.584SS.*Hα-helixtrans-64.8-44175.3170.60000111V312 A314 Y319 Y320V312-V316 HydrophobicContact CG1-CG2 4.33Å; V312-V316 WeakPolarHBondContact O-CB 3.44Å; V312-V316 VanDerWaalsContact O-CG2 3.24Å; V312-V316 WeakPolarHBondContact O-CG2 3.27Å; V312-V316 PolarHBondContact O-N 2.99Å; A314-V316 VanDerWaalsContact C-N 3.31Å; A314-V316 PolarHBondContact O-N 2.89Å; V316-Y319 PolarHBondContact O-N 2.89Å; V316-Y320 HydrophobicContact CG1-CD2 3.56Å; V316-Y320 HydrophobicContact CG1-CE2 3.61Å; V316-Y320 VanDerWaalsContact O-CD2 3.23Å; V316-Y320 WeakPolarHBondContact O-CD2 3.27Å; V316-Y320 PolarHBondContact O-N 3.33Å
317R86.2Confident80.3Confident183 Ų183119 Ų11969%0.69158%0.584SS**Hα-helixtrans-61.4-44.8175.3-78.8178-179.5172.71112.1L313 A314 Y320 Q321L313-R317 WeakPolarHBondContact O-CB 3.23Å; L313-R317 WeakPolarHBondContact O-CG 3.41Å; L313-R317 PolarHBondContact O-N 3.42Å; A314-R317 PolarHBondContact O-N 2.97Å; A314-R317 VanDerWaalsContact O-N 3.16Å; R317-Y320 PolarHBondContact O-N 2.79Å; R317-Q321 WeakPolarHBondContact O-CB 3.35Å; R317-Q321 PolarHBondContact O-N 2.84Å
318I83.6Confident79.2Confident114 Ų114118.7 Ų118.759%0.58558%0.583SS**Hα-helixtrans-60.9-46.7176.2-68.8165.8000110.1A314 S315 Y320 Q321 Y322A314-I318 VanDerWaalsContact O-CG1 3.3Å; A314-I318 WeakPolarHBondContact O-CG1 3.3Å; A314-I318 PolarHBondContact O-N 3.06Å; S315-I318 PolarHBondContact O-N 3.23Å; I318-Y320 PolarHBondContact O-N 2.86Å; I318-Q321 PolarHBondContact O-N 3.43Å; I318-Y322 WeakPolarHBondContact O-CB 3.24Å; I318-Y322 PolarHBondContact O-N 3.36Å
319Y82.8Confident78.2Confident129 Ų129116.3 Ų116.351%0.50657%0.573SS.*Hα-helixtrans-57.7-47.6176.8179-91.7000112.1S315 V316 Y322 R323S315-Y319 VanDerWaalsContact O-CB 3.27Å; S315-Y319 WeakPolarHBondContact O-CB 3.19Å; S315-Y319 PolarHBondContact O-N 3.44Å; V316-Y319 PolarHBondContact O-N 2.89Å; Y319-Y322 PolarHBondContact O-N 2.96Å; Y319-R323 HydrophobicContact CE1-CG 4.27Å; Y319-R323 WeakPolarHBondContact O-CB 3.35Å; Y319-R323 VanDerWaalsContact O-CG 3.3Å; Y319-R323 WeakPolarHBondContact O-CG 3.46Å; Y319-R323 PolarHBondContact O-N 3.5Å
320Y74.6Confident77.4Confident154 Ų154124.1 Ų124.160%0.60459%0.594SS**Hα-helixtrans-70.4-32177.5-83.6-69.8000113.1V316 R317 I318 R323 R324V316-Y320 HydrophobicContact CG1-CD2 3.56Å; V316-Y320 HydrophobicContact CG1-CE2 3.61Å; V316-Y320 VanDerWaalsContact O-CD2 3.23Å; V316-Y320 WeakPolarHBondContact O-CD2 3.27Å; V316-Y320 PolarHBondContact O-N 3.33Å; R317-Y320 PolarHBondContact O-N 2.79Å; I318-Y320 PolarHBondContact O-N 2.86Å; Y320-R323 CarbonylContact O-C 3.46Å; Y320-R323 PolarHBondContact O-N 3.42Å; Y320-R324 WeakPolarHBondContact O-CB 3.36Å; Y320-R324 WeakPolarHBondContact O-CG 3.3Å; Y320-R324 PolarHBondContact O-N 2.8Å
321Q73.7Confident76.7Confident146 Ų146127.3 Ų127.368%0.68260%0.604SS**Hα-helixtrans-71.9-36.2176.2-171.4159.3-9.300111.6R317 I318 R323 R324R317-Q321 WeakPolarHBondContact O-CB 3.35Å; R317-Q321 PolarHBondContact O-N 2.84Å; I318-Q321 PolarHBondContact O-N 3.43Å; Q321-R323 VanDerWaalsContact C-N 3.3Å; Q321-R324 PolarHBondContact O-N 3.36Å
322Y66.8Low75.6Confident215 Ų215126.6 Ų126.684%0.84360%0.596SS**Hα-helixtrans-67.5-31.5171.4-161.7-95000112.3I318 Y319I318-Y322 WeakPolarHBondContact O-CB 3.24Å; I318-Y322 PolarHBondContact O-N 3.36Å; Y319-Y322 PolarHBondContact O-N 2.96Å
323R64.9Low74.9Confident176 Ų176125.1 Ų125.166%0.66459%0.587SS**Hα-helixtrans-91.2-7.6177.6-71.7-98-177.8168.3-1.6114Y319 Y320 Q321 V325Y319-R323 HydrophobicContact CE1-CG 4.27Å; Y319-R323 WeakPolarHBondContact O-CB 3.35Å; Y319-R323 VanDerWaalsContact O-CG 3.3Å; Y319-R323 WeakPolarHBondContact O-CG 3.46Å; Y319-R323 PolarHBondContact O-N 3.5Å; Y320-R323 CarbonylContact O-C 3.46Å; Y320-R323 PolarHBondContact O-N 3.42Å; Q321-R323 VanDerWaalsContact C-N 3.3Å; R323-V325 PolarHBondContact O-N 3.47Å
324R58.4Low74.4Confident207 Ų207125.6 Ų125.678%0.78159%0.589SS**SBendtrans-68102.3173.5-96.2-177.4170.9-164.7-2.7107.7Y320 Q321 K326Y320-R324 WeakPolarHBondContact O-CB 3.36Å; Y320-R324 WeakPolarHBondContact O-CG 3.3Å; Y320-R324 PolarHBondContact O-N 2.8Å; Q321-R324 PolarHBondContact O-N 3.36Å; R324-K326 PolarHBondContact O-N 3.04Å
325V57.5Low73.9Confident123 Ų123134.6 Ų134.675%0.74561%0.614SS**  trans6.3109.2165-169.70000113.9R323R323-V325 PolarHBondContact O-N 3.47Å
326K57.8Low73.4Confident183 Ų183135.2 Ų135.280%0.79661%0.612SS**  trans-47.9130.2164.6-67.2-177.9178.6-177.50108.2R324 V328R324-K326 PolarHBondContact O-N 3.04Å; K326-V328 PolarHBondContact O-N 2.95Å
327P61.3Low73Confident104 Ų104134.3 Ų134.368%0.67561%0.607SS**  trans-54.5135.9-179.320.4-30.3000109.6T329P327-T329 PolarHBondContact O-N 3.33Å
328V64.9Low72.5Confident87 Ų87129.8 Ų129.853%0.52759%0.591SS.*  trans-66.7100.3175.7175.30000107.3K326 V333 L340K326-V328 PolarHBondContact O-N 2.95Å; V328-V333 HydrophobicContact CG1-CG2 3.4Å; V328-L340 HydrophobicContact CG1-CD1 3.6Å; V328-L340 HydrophobicContact CG2-CD1 4.35Å; V328-L340 HydrophobicContact CG2-CD2 4.01Å
329T72.1Confident72Confident55 Ų55126.7 Ų126.734%0.33758%0.583SS.*  trans-84150.5175.362.90000110P327 E331 I332 V333P327-T329 PolarHBondContact O-N 3.33Å; T329-E331 PolarHBondContact O-N 3.07Å; T329-E331 VanDerWaalsContact O-N 3.16Å; T329-I332 PolarHBondContact O-N 3.16Å; T329-I332 VanDerWaalsContact O-N 3.07Å; T329-I332 WeakPolarHBondContact OG1-CD1 3.28Å; T329-I332 WeakPolarHBondContact OG1-CG1 3.33Å; T329-V333 PolarHBondContact O-N 3.03Å
330R75.6Confident71.5Confident202 Ų202122 Ų12276%0.76257%0.566SS**Hα-helixtrans-52.3-36.7176.3-178177.9179.4-109.71.1112V333 I334R330-V333 PolarHBondContact O-N 3.08Å; R330-I334 HydrophobicContact CG-CD1 3.86Å; R330-I334 WeakPolarHBondContact O-CG1 3.39Å; R330-I334 PolarHBondContact O-N 3.24Å
331E76.8Confident71.2Confident151 Ų151122.9 Ų122.971%0.70657%0.568SS**Hα-helixtrans-64.2-41.5178.8-70.1159.8176.800112.8T329 V333 I334 R335T329-E331 PolarHBondContact O-N 3.07Å; T329-E331 VanDerWaalsContact O-N 3.16Å; E331-V333 VanDerWaalsContact C-N 3.34Å; E331-I334 PolarHBondContact O-N 3.29Å; E331-R335 VanDerWaalsContact O-CB 3.32Å; E331-R335 WeakPolarHBondContact O-CB 3.4Å; E331-R335 PolarHBondContact O-N 3.48Å
332I71.1Confident71.2Confident65 Ų65120.6 Ų120.633%0.33357%0.566SS.*Hα-helixtrans-66.7-40.1177.9-65.9168.2000110.1T329 I334 D336 L340T329-I332 PolarHBondContact O-N 3.16Å; T329-I332 VanDerWaalsContact O-N 3.07Å; T329-I332 WeakPolarHBondContact OG1-CD1 3.28Å; T329-I332 WeakPolarHBondContact OG1-CG1 3.33Å; I332-I334 VanDerWaalsContact C-N 3.33Å; I332-I334 PolarHBondContact O-N 3.38Å; I332-D336 CarbonylContact O-C 3.26Å; I332-D336 VanDerWaalsContact O-C 3.26Å; I332-D336 PolarHBondContact O-N 3.31Å; I332-L340 HydrophobicContact CG2-CD1 3.96Å; I332-L340 HydrophobicContact CG2-CD2 4.1Å; I332-L340 HydrophobicContact CG2-CG 4.06Å
333V80.1Confident71.9Confident51 Ų51113 Ų11331%0.30954%0.54SS..Hα-helixtrans-63.6-38.5176.8177.70000111.8V328 T329 R330 E331 P337 L340 L343V328-V333 HydrophobicContact CG1-CG2 3.4Å; T329-V333 PolarHBondContact O-N 3.03Å; R330-V333 PolarHBondContact O-N 3.08Å; E331-V333 VanDerWaalsContact C-N 3.34Å; V333-P337 VanDerWaalsContact O-CB 3.26Å; V333-P337 WeakPolarHBondContact O-CB 3.26Å; V333-P337 VanDerWaalsContact O-CD 3.31Å; V333-P337 WeakPolarHBondContact O-CD 3.41Å; V333-L340 HydrophobicContact CG2-CD1 3.71Å; V333-L343 HydrophobicContact CB-CD1 4.41Å; V333-L343 HydrophobicContact CG1-CD1 3.82Å; V333-L343 HydrophobicContact CG2-CD1 4.1Å
334I83.2Confident72.6Confident115 Ų115109 Ų10959%0.5952%0.524SS*.Hα-helixtrans-75.2-43.5-179.8-68.2169.3000111.3R330 E331 I332R330-I334 HydrophobicContact CG-CD1 3.86Å; R330-I334 WeakPolarHBondContact O-CG1 3.39Å; R330-I334 PolarHBondContact O-N 3.24Å; E331-I334 PolarHBondContact O-N 3.29Å; I332-I334 VanDerWaalsContact C-N 3.33Å; I332-I334 PolarHBondContact O-N 3.38Å
335R82.8Confident73.4Confident232 Ų232106.7 Ų106.788%0.87552%0.516SS*.Hα-helixtrans-78.8-42.6-172.2-174.7-178.9170.2-166.2-2.4113.2E331E331-R335 VanDerWaalsContact O-CB 3.32Å; E331-R335 WeakPolarHBondContact O-CB 3.4Å; E331-R335 PolarHBondContact O-N 3.48Å
336D79.1Confident74.6Confident81 Ų81105.4 Ų105.443%0.43350%0.504SS..  trans-147.874-178.8-173.4-2.7000110.4I332 Y338 A339I332-D336 CarbonylContact O-C 3.26Å; I332-D336 VanDerWaalsContact O-C 3.26Å; I332-D336 PolarHBondContact O-N 3.31Å; D336-Y338 PolarHBondContact O-N 2.84Å; D336-Y338 PolarHBondContact OD1-N 3.02Å; D336-A339 HydrophobicContact CB-CB 4.29Å; D336-A339 PolarHBondContact O-N 2.87Å; D336-A339 PolarHBondContact OD1-N 3.38Å; D336-A339 WeakPolarHBondContact OD2-CB 3.27Å
337P78.8Confident75.8Confident47 Ų4799.8 Ų99.831%0.30548%0.482SS..G310 helixtrans-62-25.1178.621.8-29.9000112.2V333 L340 L343 I347V333-P337 VanDerWaalsContact O-CB 3.26Å; V333-P337 WeakPolarHBondContact O-CB 3.26Å; V333-P337 VanDerWaalsContact O-CD 3.31Å; V333-P337 WeakPolarHBondContact O-CD 3.41Å; P337-L340 PolarHBondContact O-N 3.29Å; P337-L343 HydrophobicContact CB-CD1 4.1Å; P337-L343 VanDerWaalsContact O-CB 3.27Å; P337-L343 WeakPolarHBondContact O-CB 3.26Å; P337-I347 HydrophobicContact CB-CD1 4.24Å
338Y77.5Confident76.6Confident88 Ų8897 Ų9735%0.34546%0.462SS..G310 helixtrans-77.6-21.6-176.9-150.1-97.8000112.3D336 L340 R344 I347 D348D336-Y338 PolarHBondContact O-N 2.84Å; D336-Y338 PolarHBondContact OD1-N 3.02Å; Y338-L340 PolarHBondContact O-N 3.18Å; Y338-R344 HydrophobicContact CD1-CG 3.89Å; Y338-R344 HydrophobicContact CD2-CG 4.06Å; Y338-R344 HydrophobicContact CE1-CG 3.57Å; Y338-R344 HydrophobicContact CE2-CG 3.74Å; Y338-R344 HydrophobicContact CG-CG 4.13Å; Y338-R344 VanDerWaalsContact CZ-CG 3.49Å; Y338-R344 PolarHBondContact O-NE 3.24Å; Y338-R344 PolarHBondContact O-NH2 3.2Å; Y338-I347 HydrophobicContact CD2-CB 4.33Å; Y338-I347 HydrophobicContact CD2-CD1 3.98Å; Y338-I347 HydrophobicContact CD2-CG2 4.04Å; Y338-I347 HydrophobicContact CE2-CB 4.27Å; Y338-I347 HydrophobicContact CE2-CG2 3.88Å; Y338-D348 VanDerWaalsContact CE2-OD1 3.28Å; Y338-D348 WeakPolarHBondContact CE2-OD1 3.3Å; Y338-D348 VanDerWaalsContact CZ-OD1 3.27Å; Y338-D348 VanDerWaalsContact OH-CG 3.28Å; Y338-D348 PolarHBondContact OH-OD1 2.84Å; Y338-D348 PolarHBondContact OH-OD2 3.27Å
339A72.4Confident77.1Confident50 Ų5095.4 Ų95.441%0.41346%0.458SS..G310 helixtrans-62.2-26170.600000113.4D336 R344D336-A339 HydrophobicContact CB-CB 4.29Å; D336-A339 PolarHBondContact O-N 2.87Å; D336-A339 PolarHBondContact OD1-N 3.38Å; D336-A339 WeakPolarHBondContact OD2-CB 3.27Å; A339-R344 PolarHBondContact O-NH2 3.26Å
340L73.1Confident77.6Confident31 Ų3199 Ų9916%0.16247%0.466CS..SBendtrans-87.5114.1-176.9-64.5173.2000111.2V328 I332 V333 P337 Y338 P342 L343 R344V328-L340 HydrophobicContact CG1-CD1 3.6Å; V328-L340 HydrophobicContact CG2-CD1 4.35Å; V328-L340 HydrophobicContact CG2-CD2 4.01Å; I332-L340 HydrophobicContact CG2-CD1 3.96Å; I332-L340 HydrophobicContact CG2-CD2 4.1Å; I332-L340 HydrophobicContact CG2-CG 4.06Å; V333-L340 HydrophobicContact CG2-CD1 3.71Å; P337-L340 PolarHBondContact O-N 3.29Å; Y338-L340 PolarHBondContact O-N 3.18Å; L340-P342 VanDerWaalsContact C-CD 3.44Å; L340-P342 VanDerWaalsContact C-N 3.34Å; L340-P342 VanDerWaalsContact O-N 3.14Å; L340-L343 HydrophobicContact CB-CB 4.23Å; L340-L343 HydrophobicContact CB-CD1 4.19Å; L340-L343 HydrophobicContact CB-CG 4.35Å; L340-L343 HydrophobicContact CD1-CD1 3.79Å; L340-L343 PolarHBondContact O-N 2.8Å; L340-R344 PolarHBondContact O-N 3.37Å
341R68.1Low77.5Confident172 Ų17290.6 Ų90.665%0.64944%0.44SS*.Hα-helixtrans-50-41-174.9-165.3-178.8-169.1-173.34.3114.6R345R341-R345 WeakPolarHBondContact O-CG 3.33Å; R341-R345 PolarHBondContact O-N 3.02Å
342P73Confident77.2Confident98 Ų9887.8 Ų87.864%0.63643%0.425SS*.Hα-helixtrans-68.4-42.3176.6-20.234000113.3L340 R345 L346L340-P342 VanDerWaalsContact C-CD 3.44Å; L340-P342 VanDerWaalsContact C-N 3.34Å; L340-P342 VanDerWaalsContact O-N 3.14Å; P342-R345 PolarHBondContact O-N 2.94Å; P342-L346 PolarHBondContact O-N 3.47Å
343L80.3Confident77.5Confident55 Ų5594.3 Ų94.329%0.28845%0.446SS..Hα-helixtrans-69.8-41.2179.3-70.7-179.8000111.6V333 P337 L340 R345 L346 I347V333-L343 HydrophobicContact CB-CD1 4.41Å; V333-L343 HydrophobicContact CG1-CD1 3.82Å; V333-L343 HydrophobicContact CG2-CD1 4.1Å; P337-L343 HydrophobicContact CB-CD1 4.1Å; P337-L343 VanDerWaalsContact O-CB 3.27Å; P337-L343 WeakPolarHBondContact O-CB 3.26Å; L340-L343 HydrophobicContact CB-CB 4.23Å; L340-L343 HydrophobicContact CB-CD1 4.19Å; L340-L343 HydrophobicContact CB-CG 4.35Å; L340-L343 HydrophobicContact CD1-CD1 3.79Å; L340-L343 PolarHBondContact O-N 2.8Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.35Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 3Å; L343-L346 VanDerWaalsContact O-N 3.08Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.31Å; L343-I347 PolarHBondContact O-N 2.76Å
344R80.9Confident77.4Confident91 Ų9196.5 Ų96.534%0.34346%0.455SS..Hα-helixtrans-51.7-51.3172.6-172.1-178.1-52.4153.48.3111.9Y338 A339 L340 L346 I347 D348Y338-R344 HydrophobicContact CD1-CG 3.89Å; Y338-R344 HydrophobicContact CD2-CG 4.06Å; Y338-R344 HydrophobicContact CE1-CG 3.57Å; Y338-R344 HydrophobicContact CE2-CG 3.74Å; Y338-R344 HydrophobicContact CG-CG 4.13Å; Y338-R344 VanDerWaalsContact CZ-CG 3.49Å; Y338-R344 PolarHBondContact O-NE 3.24Å; Y338-R344 PolarHBondContact O-NH2 3.2Å; A339-R344 PolarHBondContact O-NH2 3.26Å; L340-R344 PolarHBondContact O-N 3.37Å; R344-L346 PolarHBondContact O-N 3.3Å; R344-I347 PolarHBondContact O-N 2.99Å; R344-D348 WeakPolarHBondContact O-CB 3.27Å; R344-D348 PolarHBondContact O-N 3.25Å
345R75.3Confident76.8Confident160 Ų16097.3 Ų97.360%0.60445%0.451SS*.Hα-helixtrans-58.6-38.4178.5-76.6176.9170.7-178.4-4112.4R341 P342 L343 A349R341-R345 WeakPolarHBondContact O-CG 3.33Å; R341-R345 PolarHBondContact O-N 3.02Å; P342-R345 PolarHBondContact O-N 2.94Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-R345 PolarHBondContact O-N 3.35Å; R345-A349 VanDerWaalsContact O-CB 3.28Å; R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.05Å
346L81.6Confident75.9Confident96 Ų9687.1 Ų87.150%0.50342%0.419SS..Hα-helixtrans-69.8-48.1179.5-157.7122.9000110.6P342 L343 R344 D348 A349 Y350P342-L346 PolarHBondContact O-N 3.47Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 3Å; L343-L346 VanDerWaalsContact O-N 3.08Å; R344-L346 PolarHBondContact O-N 3.3Å; L346-D348 PolarHBondContact O-N 3.01Å; L346-A349 PolarHBondContact O-N 3.46Å; L346-Y350 HydrophobicContact CD2-CD2 3.85Å; L346-Y350 HydrophobicContact CD2-CE2 3.57Å; L346-Y350 HydrophobicContact CG-CD2 4.08Å; L346-Y350 HydrophobicContact CG-CE2 3.79Å; L346-Y350 WeakPolarHBondContact O-CD2 3.28Å; L346-Y350 PolarHBondContact O-N 3.33Å
347I83.2Confident75.4Confident64 Ų6490 Ų9033%0.32843%0.43SS..Hα-helixtrans-56.8-48.9175.5-66.9164.6000110.3P337 Y338 L343 R344 A349 Y350 A351P337-I347 HydrophobicContact CB-CD1 4.24Å; Y338-I347 HydrophobicContact CD2-CB 4.33Å; Y338-I347 HydrophobicContact CD2-CD1 3.98Å; Y338-I347 HydrophobicContact CD2-CG2 4.04Å; Y338-I347 HydrophobicContact CE2-CB 4.27Å; Y338-I347 HydrophobicContact CE2-CG2 3.88Å; L343-I347 VanDerWaalsContact O-CG1 3.26Å; L343-I347 WeakPolarHBondContact O-CG1 3.31Å; L343-I347 PolarHBondContact O-N 2.76Å; R344-I347 PolarHBondContact O-N 2.99Å; I347-A349 VanDerWaalsContact C-N 3.34Å; I347-A349 PolarHBondContact O-N 2.54Å; I347-Y350 PolarHBondContact O-N 3.32Å; I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.48Å; I347-A351 PolarHBondContact O-N 3.42Å
348D77.8Confident74.5Confident46 Ų4697.5 Ų97.525%0.24645%0.452CS..Hα-helixtrans-62.6-39.9179.2-67.5-17.8000112.2Y338 R344 L346 F352Y338-D348 VanDerWaalsContact CE2-OD1 3.28Å; Y338-D348 WeakPolarHBondContact CE2-OD1 3.3Å; Y338-D348 VanDerWaalsContact CZ-OD1 3.27Å; Y338-D348 VanDerWaalsContact OH-CG 3.28Å; Y338-D348 PolarHBondContact OH-OD1 2.84Å; Y338-D348 PolarHBondContact OH-OD2 3.27Å; R344-D348 WeakPolarHBondContact O-CB 3.27Å; R344-D348 PolarHBondContact O-N 3.25Å; L346-D348 PolarHBondContact O-N 3.01Å; D348-F352 VanDerWaalsContact O-CB 3.27Å; D348-F352 WeakPolarHBondContact O-CB 3.17Å; D348-F352 PolarHBondContact O-N 2.9Å
349A77.1Confident73.7Confident54 Ų5495.7 Ų95.745%0.44645%0.45SS..Hα-helixtrans-65.6-41.717800000112R345 L346 I347 R353R345-A349 VanDerWaalsContact O-CB 3.28Å; R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.05Å; L346-A349 PolarHBondContact O-N 3.46Å; I347-A349 VanDerWaalsContact C-N 3.34Å; I347-A349 PolarHBondContact O-N 2.54Å; A349-R353 WeakPolarHBondContact O-CG 3.47Å; A349-R353 PolarHBondContact O-N 2.85Å
350Y81.4Confident73.1Confident129 Ų129101.6 Ų101.651%0.50647%0.466SS..Hα-helixtrans-71.3-42.6176.4-79.1-69.3000112.3L346 I347 F352 R353 I354L346-Y350 HydrophobicContact CD2-CD2 3.85Å; L346-Y350 HydrophobicContact CD2-CE2 3.57Å; L346-Y350 HydrophobicContact CG-CD2 4.08Å; L346-Y350 HydrophobicContact CG-CE2 3.79Å; L346-Y350 WeakPolarHBondContact O-CD2 3.28Å; L346-Y350 PolarHBondContact O-N 3.33Å; I347-Y350 PolarHBondContact O-N 3.32Å; Y350-F352 VanDerWaalsContact C-N 3.26Å; Y350-F352 PolarHBondContact O-N 3.47Å; Y350-R353 PolarHBondContact O-N 3.1Å; Y350-R353 VanDerWaalsContact O-N 3.1Å; Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.84Å
351A74.9Confident72.2Confident26 Ų26110.9 Ų110.922%0.21551%0.505CS..Hα-helixtrans-57.1-43173.600000110.8I347 I354 Y355I347-A351 VanDerWaalsContact O-CB 3.3Å; I347-A351 WeakPolarHBondContact O-CB 3.48Å; I347-A351 PolarHBondContact O-N 3.42Å; A351-I354 PolarHBondContact O-N 3.36Å; A351-Y355 WeakPolarHBondContact O-CB 3.41Å; A351-Y355 WeakPolarHBondContact O-CD2 3.06Å; A351-Y355 PolarHBondContact O-N 2.81Å
352F70.1Confident71.7Confident92 Ų92105.2 Ų105.240%0.40450%0.5SS..Hα-helixtrans-67.2-35.8175.2-170.9-95.8000113.2D348 Y350 I354 G356 L370D348-F352 VanDerWaalsContact O-CB 3.27Å; D348-F352 WeakPolarHBondContact O-CB 3.17Å; D348-F352 PolarHBondContact O-N 2.9Å; Y350-F352 VanDerWaalsContact C-N 3.26Å; Y350-F352 PolarHBondContact O-N 3.47Å; F352-I354 VanDerWaalsContact C-N 3.32Å; F352-I354 PolarHBondContact O-N 3.35Å; F352-G356 WeakPolarHBondContact O-CA 3.44Å; F352-G356 PolarHBondContact O-N 3.01Å; F352-L370 HydrophobicContact CD2-CD1 4.47Å
353R77.4Confident70.7Confident202 Ų202110.5 Ų110.576%0.76252%0.516SS*.Hα-helixtrans-64.5-36.4174.3-80-178.574.6170.63.3112.7A349 Y350A349-R353 WeakPolarHBondContact O-CG 3.47Å; A349-R353 PolarHBondContact O-N 2.85Å; Y350-R353 PolarHBondContact O-N 3.1Å; Y350-R353 VanDerWaalsContact O-N 3.1Å
354I76.8Confident69.5Low98 Ų98116.9 Ų116.950%0.50355%0.545SS..Hα-helixtrans-80.5-52-178.7-63.9171.5000110.4Y350 A351 F352 H357Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.84Å; A351-I354 PolarHBondContact O-N 3.36Å; F352-I354 VanDerWaalsContact C-N 3.32Å; F352-I354 PolarHBondContact O-N 3.35Å; I354-H357 PolarHBondContact O-CE1 3.07Å; I354-H357 PolarHBondContact O-ND1 3.49Å
355Y71.6Confident68.3Low131 Ų131119.3 Ų119.351%0.51456%0.56SS.*Hα-helixtrans-100.90.7-171.1-56.4-70.2000114.1A351 H357 W358A351-Y355 WeakPolarHBondContact O-CB 3.41Å; A351-Y355 WeakPolarHBondContact O-CD2 3.06Å; A351-Y355 PolarHBondContact O-N 2.81Å; Y355-H357 PolarHBondContact O-N 2.88Å; Y355-W358 WeakPolarHBondContact O-CB 3.42Å; Y355-W358 PolarHBondContact O-N 3.01Å
356G63.7Low67.3Low18 Ų18117.7 Ų117.719%0.18656%0.563CS.*G310 helixtrans-60.4-21.9-176.800000114.3F352 W358 V359F352-G356 WeakPolarHBondContact O-CA 3.44Å; F352-G356 PolarHBondContact O-N 3.01Å; G356-W358 PolarHBondContact O-N 3.43Å; G356-V359 PolarHBondContact O-N 3.06Å
357H68.6Low66.1Low143 Ų143121.5 Ų121.566%0.66257%0.571SS**G310 helixtrans-69.8-17.417465.9-79.1000113.8I354 Y355 V359I354-H357 PolarHBondContact O-CE1 3.07Å; I354-H357 PolarHBondContact O-ND1 3.49Å; Y355-H357 PolarHBondContact O-N 2.88Å; H357-V359 VanDerWaalsContact C-N 3.34Å
358W59.1Low64.8Low204 Ų204121.1 Ų121.177%0.77358%0.577SS**G310 helixtrans-83.1-12.4174.4-72.254.8000112.6Y355 G356 K360Y355-W358 WeakPolarHBondContact O-CB 3.42Å; Y355-W358 PolarHBondContact O-N 3.01Å; G356-W358 PolarHBondContact O-N 3.43Å; W358-K360 PolarHBondContact O-N 2.89Å
359V61.2Low63.9Low50 Ų50121.2 Ų121.230%0.30358%0.584SS.*SBendtrans-90.291.1177.1-170.80000108.7G356 H357 K361 L370G356-V359 PolarHBondContact O-N 3.06Å; H357-V359 VanDerWaalsContact C-N 3.34Å; V359-K361 PolarHBondContact O-N 3.4Å; V359-L370 HydrophobicContact CG2-CD1 3.23Å; V359-L370 HydrophobicContact CG2-CG 3.98Å
360K59.4Low62.9Low174 Ų174121.7 Ų121.776%0.75758%0.579SS**  trans-64.8133.5177.1-69.9-175.2179.2179.50110.6W358 G362W358-K360 PolarHBondContact O-N 2.89Å; K360-G362 PolarHBondContact O-N 3.25Å
361K54.1Low61.8Low225 Ų225120.7 Ų120.798%0.97858%0.578SS**  trans-7689.3175-73.1-177.2178.1178.50110.3V359V359-K361 PolarHBondContact O-N 3.4Å
362G58Low60.9Low53 Ų53124 Ų12455%0.54659%0.588SS.*  trans-135.6157.3170.600000111.4K360 Q364K360-G362 PolarHBondContact O-N 3.25Å; G362-Q364 PolarHBondContact O-N 3.04Å
363Q53.2Low60.1Low209 Ų209127.3 Ų127.398%0.97761%0.61SS**THydrogen-bonded Turntrans-66.3-2.3-170-77.4-166.6-17.400116.1
364Q53.5Low58.9Low189 Ų189122.9 Ų122.988%0.88361%0.606SS**THydrogen-bonded Turntrans-128.627.2-174.7-74-164.6-11.300116.2G362G362-Q364 PolarHBondContact O-N 3.04Å
365Q55.9Low57.6Low142 Ų142124.4 Ų124.466%0.66462%0.623SS**  trans-135125.1168.4-74.4-174-11.800113.3
366N55Low56.5Low127 Ų127125.4 Ų125.468%0.67963%0.63SS**  trans-88.5149.9179.7-169.5-6.2000110.6A368 A369N366-A368 PolarHBondContact O-N 2.99Å; N366-A369 WeakPolarHBondContact O-CB 3.49Å; N366-A369 PolarHBondContact O-N 3.21Å
367R55.8Low55.8Low176 Ų176129.3 Ų129.366%0.66466%0.66SS**G310 helixtrans-52.1-19.2180-66.8175.576.8133.71.7114.1A369R367-A369 VanDerWaalsContact C-N 3.27Å; R367-A369 PolarHBondContact O-N 3.22Å
368A55.4Low54.8Low55 Ų55128.6 Ų128.646%0.45567%0.665SS.*G310 helixtrans-66.6-21.317600000114.2N366 L370 F371N366-A368 PolarHBondContact O-N 2.99Å; A368-L370 PolarHBondContact O-N 3.07Å; A368-F371 PolarHBondContact O-N 2.72Å; A368-F371 VanDerWaalsContact O-N 3.07Å
369A59.5Low53.9Low48 Ų48126.5 Ų126.540%0.39767%0.668SS.*G310 helixtrans-63.8-24.6-178.100000113.9N366 R367 F371N366-A369 WeakPolarHBondContact O-CB 3.49Å; N366-A369 PolarHBondContact O-N 3.21Å; R367-A369 VanDerWaalsContact C-N 3.27Å; R367-A369 PolarHBondContact O-N 3.22Å; A369-F371 PolarHBondContact O-N 3.43Å
370L56.6Low53.4Low64 Ų64132.7 Ų132.734%0.33570%0.699SS.*G310 helixtrans-66.1-14.6175.3-114.4156.2000113.5F352 V359 A368F352-L370 HydrophobicContact CD2-CD1 4.47Å; V359-L370 HydrophobicContact CG2-CD1 3.23Å; V359-L370 HydrophobicContact CG2-CG 3.98Å; A368-L370 PolarHBondContact O-N 3.07Å
371F57.6Low52.7Low109 Ų109128.9 Ų128.948%0.47869%0.694SS.*G310 helixtrans-123.48.2-172.9-53.8-82000112.6A368 A369 N373A368-F371 PolarHBondContact O-N 2.72Å; A368-F371 VanDerWaalsContact O-N 3.07Å; A369-F371 PolarHBondContact O-N 3.43Å; F371-N373 PolarHBondContact O-N 3.33Å
372E56.7Low52.1Low94 Ų94126.2 Ų126.244%0.43969%0.69SS.*  trans-76.6114.2171.8-79.2-177.4165.500109.4T374 K376E372-T374 VanDerWaalsContact C-N 3.32Å; E372-K376 IonicContact OE1-NZ 2.72Å; E372-K376 PolarHBondContact OE1-NZ 2.93Å; E372-K376 IonicContact OE2-NZ 2.77Å; E372-K376 PolarHBondContact OE2-NZ 2.77Å
373N53.9Low51.3Low162 Ų162128.5 Ų128.587%0.86670%0.703SS**  trans-92.318.6177.4-81.7-37.1000113.4F371F371-N373 PolarHBondContact O-N 3.33Å
374T52.1Low50.8Low110 Ų110127.4 Ų127.468%0.67570%0.698SS**SBendtrans-136128179.631.80000110.8E372E372-T374 VanDerWaalsContact C-N 3.32Å
375P48.6Very low50.3Low130 Ų130126.9 Ų126.984%0.84470%0.696SS**  trans-69.8134.2-178.825.4-30.6000111.4A377P375-A377 PolarHBondContact O-N 3.46Å
376K48.8Very low49.5Very low152 Ų152128 Ų12866%0.66171%0.707SS**  trans-81.4110.2171.9-79.1177.5175.4134.70109.9E372 V378E372-K376 IonicContact OE1-NZ 2.72Å; E372-K376 PolarHBondContact OE1-NZ 2.93Å; E372-K376 IonicContact OE2-NZ 2.77Å; E372-K376 PolarHBondContact OE2-NZ 2.77Å; K376-V378 PolarHBondContact O-N 3.45Å
377A48.3Very low48.8Very low99 Ų99135.9 Ų135.982%0.81873%0.729SS**  trans-80.8108.7165.300000108.8P375P375-A377 PolarHBondContact O-N 3.46Å
378V48.9Very low48.4Very low129 Ų129133.9 Ų133.978%0.78273%0.732SS**  trans-98.9108.4169.1-1790000107.1K376 L380K376-V378 PolarHBondContact O-N 3.45Å; V378-L380 PolarHBondContact O-N 3.36Å
379L39.8Very low48Very low160 Ų160138.1 Ų138.184%0.83875%0.747SS**  trans-63.4117.8171.4-96136.6000109.2S381L379-S381 PolarHBondContact O-N 3.2Å
380L49.6Very low47.4Very low179 Ų179143.1 Ų143.194%0.93777%0.766SS**  trans-69.6102.5165.6-82.8153.8000108.4V378V378-L380 PolarHBondContact O-N 3.36Å
381S45.9Very low46.9Very low94 Ų94147.7 Ų147.766%0.65779%0.791SS**  trans-135.7123.915960.90000108.7L379L379-S381 PolarHBondContact O-N 3.2Å
382L41.2Very low46.2Very low170 Ų170150.1 Ų150.189%0.8981%0.811SS**  trans93.874.1170.7-54.4163.2000116.4
383A40.7Very low45.5Very low101 Ų101153.9 Ų153.984%0.83584%0.836SS**SBendtrans-151.772.6140.400000108.9
384E43.6Very low44.9Very low186 Ų186153.3 Ų153.387%0.86983%0.834SS**  trans172.391161.5-97.8171.7-157.900102.3
385E42.1Very low44.3Very low178 Ų178156.6 Ų156.683%0.83285%0.846SS**  -145.1113.684.1-75.9165173.800111.7
386D40Very low44Very low166 Ų166158.8 Ų158.889%0.88885%0.846SS**  -104.898.4119.1-96.8-33.6000105
387Y39Very low43.5Very low292 Ų292159.5 Ų159.5100%1.14586%0.863SS**  trans-1720133-104.2-67.5000110.9

Retrieved 387 of 387 residues in 1163.5 ms (Link to these results)

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